A0A060GU72_HUMAN Loading...

MHC class I antigen

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB (F2XI62), UniProt , Accession A0A060GU72, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 273 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
1S94.1Very high98.2Very high104 Ų10438.9 Ų38.973%0.72722%0.216SC*.  0159.5037.40000107.3L102S1-L102 WeakPolarHBondContact CA-O 3.24Å; S1-L102 WeakPolarHBondContact CB-O 3.31Å
2H97.9Very high98.2Very high46 Ų4637 Ų3721%0.21321%0.207CC..EExtended strand (participates in β ladder)trans-140157.2-179.4-66.2-75.9000110.8D28 D101 L102 L167 L171 L178H2-D28 WeakPolarHBondContact CA-OD1 2.93Å; H2-D28 IonicContact CE1-OD2 3.19Å; H2-D28 IonicContact CG-OD2 3.34Å; H2-D28 IonicContact ND1-OD1 3.34Å; H2-D28 IonicContact ND1-OD2 2.77Å; H2-D28 PolarHBondContact ND1-OD2 3.11Å; H2-D101 CarbonylContact O-C 3.58Å; H2-D101 WeakPolarHBondContact O-CA 3.36Å; H2-L102 PolarHBondContact N-O 3.17Å; H2-L102 VanDerWaalsContact N-O 3.12Å; H2-L102 PolarHBondContact O-N 3.06Å; H2-L167 HydrophobicContact CB-CD1 4.38Å; H2-L171 HydrophobicContact CB-CD1 3.73Å; H2-L171 HydrophobicContact CB-CD2 3.94Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 VanDerWaalsContact CG-CD2 3.44Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.41Å; H2-L178 PolarHBondContact CE1-O 2.9Å
3S98.4Very high98.1Very high24 Ų2439.9 Ų39.917%0.16821%0.213CC..EExtended strand (participates in β ladder)trans-132150.8178.466.90000111.5V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.53Å; S3-V27 VanDerWaalsContact O-CA 3.29Å; S3-V27 WeakPolarHBondContact O-CA 3.41Å; S3-D28 PolarHBondContact N-OD1 2.83Å; S3-D28 PolarHBondContact O-N 2.93Å; S3-D28 PolarHBondContact OG-OD1 2.91Å; S3-C100 WeakPolarHBondContact CA-O 3.4Å; S3-D101 WeakPolarHBondContact CB-OD1 3.49Å
4M98.8Very high97.8Very high0 Ų041.1 Ų41.10%022%0.224CC..EExtended strand (participates in β ladder)trans-125.5123.4166.6-175.6171.860.400107.9Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.29Å; M4-Y6 HydrophobicContact CG-CE2 4.2Å; M4-Y6 HydrophobicContact SD-CE2 4.11Å; M4-Y26 CarbonylContact C-O 3.54Å; M4-Y26 VanDerWaalsContact CA-O 3.32Å; M4-Y26 WeakPolarHBondContact CA-O 3.48Å; M4-V27 HydrophobicContact CG-CG2 4.36Å; M4-F32 HydrophobicContact CG-CE1 4.42Å; M4-F32 HydrophobicContact SD-CZ 4.42Å; M4-G99 CarbonylContact O-C 3.57Å; M4-G99 WeakPolarHBondContact O-CA 3.37Å; M4-C100 PolarHBondContact N-O 2.92Å; M4-C100 PolarHBondContact O-N 2.91Å; M4-C163 HydrophobicContact CE-CB 4.15Å; M4-C163 WeakPolarHBondContact CE-O 3.14Å; M4-C163 WeakPolarHBondContact CE-SG 3.19Å; M4-W166 HydrophobicContact CE-CB 4.12Å; M4-W166 HydrophobicContact SD-CB 4.48Å; M4-L167 HydrophobicContact CB-CB 4.06Å; M4-L167 HydrophobicContact CB-CD1 4.05Å; M4-L167 HydrophobicContact CB-CD2 3.94Å; M4-L167 HydrophobicContact CB-CG 4.23Å; M4-L167 HydrophobicContact CE-CB 4.31Å; M4-L167 HydrophobicContact SD-CB 4.47Å; M4-Y170 HydrophobicContact SD-CD2 3.77Å; M4-Y170 HydrophobicContact SD-CE2 3.64Å
5R98.8Very high97.5Very high45 Ų4544.3 Ų44.317%0.1727%0.27CS..EExtended strand (participates in β ladder)trans-129.5136.1-177.9-58-61.8179.980.16.3110.6F7 G25 Y26 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.33Å; R5-F7 HydrophobicContact CB-CE2 3.53Å; R5-F7 HydrophobicContact CB-CZ 3.8Å; R5-F7 HydrophobicContact CG-CZ 4.4Å; R5-G25 CarbonylContact O-C 3.56Å; R5-G25 WeakPolarHBondContact O-CA 3.19Å; R5-Y26 PolarHBondContact N-O 2.83Å; R5-Y26 PolarHBondContact O-N 3.48Å; R5-D101 IonicContact CZ-OD1 2.7Å; R5-D101 IonicContact NE-OD1 2.72Å; R5-D101 PolarHBondContact NE-OD1 3.2Å; R5-D101 IonicContact NH2-OD1 3.41Å; R5-D101 PolarHBondContact NH2-OD1 3.27Å; R5-D101 IonicContact NH2-OD2 2.78Å; R5-D101 PolarHBondContact NH2-OD2 2.81Å; R5-Y112 PolarHBondContact NH2-OH 2.75Å
6Y98.8Very high97.4Very high16 Ų1654.4 Ų54.46%0.06330%0.302CS..EExtended strand (participates in β ladder)trans-108.6136.6165.8-70-92.2000108.7M4 V24 F32 V33 M97 F98M4-Y6 HydrophobicContact CE-CE2 4.29Å; M4-Y6 HydrophobicContact CG-CE2 4.2Å; M4-Y6 HydrophobicContact SD-CE2 4.11Å; Y6-V24 WeakPolarHBondContact CA-O 3.35Å; Y6-F32 AromaticContact CE1-CZ 4Å; Y6-F32 HydrophobicContact CE1-CZ 4Å; Y6-F32 AromaticContact CZ-CZ 3.74Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.48Å; Y6-V33 HydrophobicContact CE1-CG1 4.02Å; Y6-M97 WeakPolarHBondContact O-CA 3.19Å; Y6-F98 HydrophobicContact CD2-CD2 4.43Å; Y6-F98 AromaticContact CD2-CE2 3.69Å; Y6-F98 HydrophobicContact CD2-CE2 3.69Å; Y6-F98 AromaticContact CD2-CZ 3.83Å; Y6-F98 HydrophobicContact CD2-CZ 3.83Å; Y6-F98 HydrophobicContact CE2-CE2 4.46Å; Y6-F98 HydrophobicContact CG-CE1 4.28Å; Y6-F98 HydrophobicContact CG-CE2 4.09Å; Y6-F98 AromaticContact CG-CZ 3.74Å; Y6-F98 HydrophobicContact CG-CZ 3.74Å; Y6-F98 PolarHBondContact N-O 2.96Å; Y6-F98 PolarHBondContact O-N 3.36Å; Y6-F98 VanDerWaalsContact O-N 3.14Å
7F98.8Very high97.1Very high88 Ų8854.6 Ų54.639%0.38632%0.319SS..EExtended strand (participates in β ladder)trans-121.9125.3174.5-55.8-95.3000107.8R5 A23 V24 Y26 W96 M97R5-F7 HydrophobicContact CB-CD2 4.33Å; R5-F7 HydrophobicContact CB-CE2 3.53Å; R5-F7 HydrophobicContact CB-CZ 3.8Å; R5-F7 HydrophobicContact CG-CZ 4.4Å; F7-A23 CarbonylContact O-C 3.52Å; F7-A23 VanDerWaalsContact O-CA 3.29Å; F7-A23 WeakPolarHBondContact O-CA 3.46Å; F7-V24 HydrophobicContact CB-CG2 3.9Å; F7-V24 HydrophobicContact CD2-CG2 4.3Å; F7-V24 PolarHBondContact N-O 3.15Å; F7-V24 PolarHBondContact O-N 2.88Å; F7-Y26 HydrophobicContact CD2-CD2 4.08Å; F7-Y26 HydrophobicContact CE2-CD2 4.07Å; F7-W96 WeakPolarHBondContact CA-O 3.11Å; F7-M97 HydrophobicContact CD1-CB 4.02Å; F7-M97 HydrophobicContact CD1-CG 3.59Å; F7-M97 HydrophobicContact CE1-CB 4.26Å; F7-M97 HydrophobicContact CE1-CG 3.42Å; F7-M97 VanDerWaalsContact CE1-CG 3.42Å; F7-M97 HydrophobicContact CG-CG 4.42Å; F7-M97 HydrophobicContact CZ-CG 4.13Å
8S98.6Very high97.1Very high5 Ų556.7 Ų56.74%0.03533%0.326CS..EExtended strand (participates in β ladder)trans-118.3147.2168.965.70000111.6I22 Q95 W96S8-I22 CarbonylContact C-O 3.5Å; S8-I22 VanDerWaalsContact CA-O 3.23Å; S8-I22 WeakPolarHBondContact CA-O 3.47Å; S8-Q95 WeakPolarHBondContact O-CA 3.47Å; S8-W96 PolarHBondContact N-O 3.35Å; S8-W96 PolarHBondContact O-N 2.8Å
9T98.9Very high97.1Very high45 Ų4555.2 Ų55.228%0.27632%0.318SS..EExtended strand (participates in β ladder)trans-136.2124.7177-57.50000108.9V11 F21 I22 T93 L94 Q95T9-V11 HydrophobicContact CG2-CG2 3.94Å; T9-F21 WeakPolarHBondContact O-CA 3.5Å; T9-I22 PolarHBondContact N-O 2.93Å; T9-I22 PolarHBondContact O-N 3.01Å; T9-T93 HydrophobicContact CG2-CG2 3.91Å; T9-L94 WeakPolarHBondContact CA-O 3.13Å; T9-Q95 HydrophobicContact CG2-CG 4.15Å
10S98.8Very high97.2Very high1 Ų156.9 Ų56.91%0.00732%0.319CS..EExtended strand (participates in β ladder)trans-116.8118.2176.8-77.50000109.9R20 F21 D73 T93 L94S10-R20 CarbonylContact C-O 3.59Å; S10-R20 VanDerWaalsContact CA-O 3.3Å; S10-R20 WeakPolarHBondContact CA-O 3.47Å; S10-F21 VanDerWaalsContact OG-CD2 3.27Å; S10-F21 WeakPolarHBondContact OG-CD2 3.4Å; S10-D73 WeakPolarHBondContact OG-CB 3.41Å; S10-D73 PolarHBondContact OG-OD2 2.83Å; S10-T93 WeakPolarHBondContact O-CA 3.46Å; S10-L94 PolarHBondContact N-O 2.97Å; S10-L94 PolarHBondContact O-N 2.63Å
11V98.7Very high97.2Very high54 Ų5454.3 Ų54.333%0.32730%0.304SS..EExtended strand (participates in β ladder)trans-116114.5-177.6-173.60000109.7T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 3.94Å; V11-P19 CarbonylContact O-C 3.59Å; V11-P19 WeakPolarHBondContact O-CA 3.34Å; V11-R20 PolarHBondContact N-O 2.77Å; V11-R20 PolarHBondContact O-N 3.18Å; V11-H92 WeakPolarHBondContact CA-O 3.2Å; V11-T93 HydrophobicContact CG2-CG2 4.29Å
12S98.3Very high97.5Very high16 Ų1651.9 Ų51.911%0.11228%0.282CS..  trans-70.6145173.776.50000110.5S91 H92S12-S91 WeakPolarHBondContact O-CB 3.43Å; S12-S91 PolarHBondContact O-OG 2.92Å; S12-H92 PolarHBondContact N-O 3.33Å; S12-H92 PolarHBondContact OG-N 3.08Å; S12-H92 PolarHBondContact OG-O 2.81Å
13R96.8Very high97.5Very high75 Ų7549.9 Ų49.928%0.28327%0.274SS..  trans-140.772.1-178.151.8175.8175.8-165.3-6.5111.1G15 R16 E18 D38R13-G15 PolarHBondContact O-N 2.88Å; R13-R16 HydrophobicContact CB-CB 4.13Å; R13-R16 WeakPolarHBondContact CD-O 3.4Å; R13-R16 HydrophobicContact CG-CB 4.17Å; R13-R16 PolarHBondContact NE-O 3.12Å; R13-R16 WeakPolarHBondContact O-CA 3.47Å; R13-R16 PolarHBondContact O-N 3.42Å; R13-E18 PolarHBondContact NE-O 2.94Å; R13-E18 PolarHBondContact NH2-O 3.08Å; R13-E18 VanDerWaalsContact NH2-O 3.13Å; R13-D38 IonicContact CZ-OD1 3.42Å; R13-D38 IonicContact CZ-OD2 2.69Å; R13-D38 IonicContact NH1-OD1 3.94Å; R13-D38 PolarHBondContact NH1-OD1 3.07Å; R13-D38 IonicContact NH1-OD2 4Å; R13-D38 PolarHBondContact NH1-OD2 2.96Å; R13-D38 IonicContact NH2-OD1 3.72Å; R13-D38 PolarHBondContact NH2-OD1 3.12Å; R13-D38 IonicContact NH2-OD2 2.69Å
14P93.8Very high97.5Very high57 Ų5750.1 Ų50.137%0.3727%0.274SS..THydrogen-bonded Turntrans-49.4132.3-177.6-26.434.7000112.2R16 E88 G90P14-R16 VanDerWaalsContact C-N 3.25Å; P14-R16 PolarHBondContact O-N 3.28Å; P14-E88 WeakPolarHBondContact CB-O 3.17Å; P14-E88 WeakPolarHBondContact CG-O 3.38Å; P14-G90 VanDerWaalsContact CG-O 3.23Å; P14-G90 WeakPolarHBondContact CG-O 3.27Å
15G93.6Very high97.5Very high89 Ų8950.1 Ų50.192%0.91827%0.274SS*.THydrogen-bonded Turntrans76.5-0.1-176.400000115.8R13R13-G15 PolarHBondContact O-N 2.88Å
16R95Very high97.5Very high206 Ų20651.4 Ų51.478%0.77728%0.28SS*.SBendtrans-12627179.1-59.3-175179.81800.3113.3R13 P14R13-R16 HydrophobicContact CB-CB 4.13Å; R13-R16 WeakPolarHBondContact CD-O 3.4Å; R13-R16 HydrophobicContact CG-CB 4.17Å; R13-R16 PolarHBondContact NE-O 3.12Å; R13-R16 WeakPolarHBondContact O-CA 3.47Å; R13-R16 PolarHBondContact O-N 3.42Å; P14-R16 VanDerWaalsContact C-N 3.25Å; P14-R16 PolarHBondContact O-N 3.28Å
17G93.3Very high97.5Very high58 Ų5850.6 Ų50.660%0.59828%0.277SS*.SBendtrans93.5-161.2179.200000113.8
18E95.6Very high97.5Very high92 Ų9248 Ų4843%0.4327%0.267SS..SBendtrans-74.1158.5-178-64.7-55.5159.700112.8R13 R20 R74R13-E18 PolarHBondContact NE-O 2.94Å; R13-E18 PolarHBondContact NH2-O 3.08Å; R13-E18 VanDerWaalsContact NH2-O 3.13Å; E18-R20 PolarHBondContact O-N 3.35Å; E18-R74 VanDerWaalsContact CD-NE 3.25Å; E18-R74 IonicContact OE1-CZ 3.2Å; E18-R74 VanDerWaalsContact OE1-CZ 3.28Å; E18-R74 IonicContact OE1-NE 3.48Å; E18-R74 IonicContact OE1-NH2 2.62Å; E18-R74 PolarHBondContact OE1-NH2 3.28Å; E18-R74 WeakPolarHBondContact OE2-CD 3.36Å; E18-R74 IonicContact OE2-CZ 3.54Å; E18-R74 IonicContact OE2-NE 3.56Å; E18-R74 PolarHBondContact OE2-NE 2.79Å; E18-R74 IonicContact OE2-NH2 3.48Å; E18-R74 PolarHBondContact OE2-NH2 3.29Å
19P97.8Very high97.5Very high27 Ų2750.8 Ų50.818%0.17528%0.281CS..PPolyproline II helixtrans-52.5133.5173.8-25.234.2000111.8V11 R74 L77V11-P19 CarbonylContact O-C 3.59Å; V11-P19 WeakPolarHBondContact O-CA 3.34Å; P19-R74 HydrophobicContact CG-CB 4.49Å; P19-R74 HydrophobicContact CG-CG 4.29Å; P19-L77 HydrophobicContact CB-CD1 3.66Å; P19-L77 HydrophobicContact CG-CD1 3.79Å
20R98.6Very high97.4Very high90 Ų9050.1 Ų50.134%0.3428%0.277SS..EExtended strand (participates in β ladder)trans-78.8123.6173.9-176.2-175.6-175.6178.8-0.8108.5S10 V11 E18 I22 D36 D38S10-R20 CarbonylContact C-O 3.59Å; S10-R20 VanDerWaalsContact CA-O 3.3Å; S10-R20 WeakPolarHBondContact CA-O 3.47Å; V11-R20 PolarHBondContact N-O 2.77Å; V11-R20 PolarHBondContact O-N 3.18Å; E18-R20 PolarHBondContact O-N 3.35Å; R20-I22 HydrophobicContact CG-CG1 4.28Å; R20-D36 IonicContact CZ-OD1 2.99Å; R20-D36 IonicContact CZ-OD2 2.65Å; R20-D36 IonicContact NE-OD1 2.71Å; R20-D36 PolarHBondContact NE-OD1 2.91Å; R20-D36 IonicContact NE-OD2 3.69Å; R20-D36 IonicContact NH2-OD1 2.98Å; R20-D36 PolarHBondContact NH2-OD1 2.69Å; R20-D36 IonicContact NH2-OD2 3.48Å; R20-D36 PolarHBondContact NH2-OD2 2.97Å; R20-D38 WeakPolarHBondContact CD-OD2 3.43Å; R20-D38 HydrophobicContact CG-CB 4.33Å; R20-D38 IonicContact NE-OD2 3.81Å
21F98.8Very high97.4Very high3 Ų352.8 Ų52.81%0.01329%0.289CS..EExtended strand (participates in β ladder)trans-102.2127172.6177.7-89.1000110.1T9 S10 A23 F35 S37 Y66 Q69 A70 D73T9-F21 WeakPolarHBondContact O-CA 3.5Å; S10-F21 VanDerWaalsContact OG-CD2 3.27Å; S10-F21 WeakPolarHBondContact OG-CD2 3.4Å; F21-A23 HydrophobicContact CE1-CB 3.62Å; F21-A23 HydrophobicContact CZ-CB 3.8Å; F21-F35 AromaticContact CD1-CD1 3.62Å; F21-F35 HydrophobicContact CD1-CD1 3.62Å; F21-F35 AromaticContact CD1-CE1 3.75Å; F21-F35 HydrophobicContact CD1-CE1 3.75Å; F21-F35 AromaticContact CE1-CD1 3.83Å; F21-F35 HydrophobicContact CE1-CD1 3.83Å; F21-F35 HydrophobicContact CE1-CE1 4.24Å; F21-S37 PolarHBondContact N-OG 3.01Å; F21-S37 WeakPolarHBondContact O-CB 3.12Å; F21-S37 PolarHBondContact O-N 3.15Å; F21-S37 PolarHBondContact O-OG 2.9Å; F21-S37 VanDerWaalsContact O-OG 3.1Å; F21-Y66 HydrophobicContact CE1-CD1 4.17Å; F21-Y66 HydrophobicContact CZ-CD1 4.5Å; F21-Q69 HydrophobicContact CE2-CB 4.07Å; F21-Q69 HydrophobicContact CE2-CG 3.64Å; F21-Q69 HydrophobicContact CZ-CB 3.92Å; F21-Q69 HydrophobicContact CZ-CG 3.82Å; F21-A70 HydrophobicContact CB-CB 3.6Å; F21-A70 HydrophobicContact CD1-CB 3.98Å; F21-A70 HydrophobicContact CD2-CB 4.07Å; F21-A70 HydrophobicContact CG-CB 3.62Å; F21-D73 HydrophobicContact CD2-CB 4.49Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.43Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.46Å
22I98.8Very high97.4Very high52 Ų5250.2 Ų50.227%0.26727%0.274SS..EExtended strand (participates in β ladder)trans-123.1135.6171.7-59.2172000107.3S8 T9 R20 F35S8-I22 CarbonylContact C-O 3.5Å; S8-I22 VanDerWaalsContact CA-O 3.23Å; S8-I22 WeakPolarHBondContact CA-O 3.47Å; T9-I22 PolarHBondContact N-O 2.93Å; T9-I22 PolarHBondContact O-N 3.01Å; R20-I22 HydrophobicContact CG-CG1 4.28Å; I22-F35 WeakPolarHBondContact CA-O 3.44Å
23A98.8Very high97.4Very high4 Ų449.4 Ų49.43%0.03327%0.268CS..EExtended strand (participates in β ladder)trans-130.9142.8170.100000110.8F7 F21 R34 F35 Y66F7-A23 CarbonylContact O-C 3.52Å; F7-A23 VanDerWaalsContact O-CA 3.29Å; F7-A23 WeakPolarHBondContact O-CA 3.46Å; F21-A23 HydrophobicContact CE1-CB 3.62Å; F21-A23 HydrophobicContact CZ-CB 3.8Å; A23-R34 CarbonylContact O-C 3.42Å; A23-R34 WeakPolarHBondContact O-CA 3.34Å; A23-F35 HydrophobicContact CB-CB 4.42Å; A23-F35 PolarHBondContact N-O 2.81Å; A23-F35 PolarHBondContact O-N 2.97Å; A23-Y66 HydrophobicContact CB-CD1 3.66Å; A23-Y66 HydrophobicContact CB-CE1 3.58Å
24V98.9Very high97.5Very high30 Ų3049.9 Ų49.918%0.18227%0.27CS..EExtended strand (participates in β ladder)trans-135.5145.6175-63.20000109.6Y6 F7 Y26 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.35Å; F7-V24 HydrophobicContact CB-CG2 3.9Å; F7-V24 HydrophobicContact CD2-CG2 4.3Å; F7-V24 PolarHBondContact N-O 3.15Å; F7-V24 PolarHBondContact O-N 2.88Å; V24-Y26 HydrophobicContact CB-CE2 4.11Å; V24-Y26 HydrophobicContact CG2-CD2 4.3Å; V24-Y26 HydrophobicContact CG2-CE2 3.79Å; V24-V33 WeakPolarHBondContact CA-O 3.36Å; V24-R34 HydrophobicContact CG1-CB 4.47Å; V24-R34 HydrophobicContact CG1-CG 4.29Å
25G98.8Very high97.7Very high0 Ų047.3 Ų47.30%025%0.253CS..EExtended strand (participates in β ladder)trans-121.4139.9175.300000110.7R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.56Å; R5-G25 WeakPolarHBondContact O-CA 3.19Å; G25-Q31 WeakPolarHBondContact O-CA 3.25Å; G25-F32 WeakPolarHBondContact O-CD1 3.38Å; G25-F32 PolarHBondContact O-N 2.65Å; G25-V33 PolarHBondContact N-O 3.35Å; G25-V33 PolarHBondContact O-N 2.99Å
26Y98.8Very high98Very high71 Ų7143.7 Ų43.728%0.27821%0.213SC..EExtended strand (participates in β ladder)trans-125.4142.4179.8-77.5-101.5000110.6M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.54Å; M4-Y26 VanDerWaalsContact CA-O 3.32Å; M4-Y26 WeakPolarHBondContact CA-O 3.48Å; R5-Y26 PolarHBondContact N-O 2.83Å; R5-Y26 PolarHBondContact O-N 3.48Å; F7-Y26 HydrophobicContact CD2-CD2 4.08Å; F7-Y26 HydrophobicContact CE2-CD2 4.07Å; V24-Y26 HydrophobicContact CB-CE2 4.11Å; V24-Y26 HydrophobicContact CG2-CD2 4.3Å; V24-Y26 HydrophobicContact CG2-CE2 3.79Å; Y26-T30 WeakPolarHBondContact CA-O 3.24Å; Y26-T30 VanDerWaalsContact CD1-C 3.5Å; Y26-Q31 HydrophobicContact CD1-CB 4.07Å; Y26-Q31 HydrophobicContact CD2-CG 4.42Å; Y26-Q31 HydrophobicContact CE1-CB 3.56Å; Y26-Q31 HydrophobicContact CE1-CG 4.29Å; Y26-Q31 HydrophobicContact CE2-CB 4.1Å; Y26-Q31 HydrophobicContact CE2-CG 3.9Å
27V98.8Very high98.1Very high0 Ų035.5 Ų35.50%019%0.187CC..EExtended strand (participates in β ladder)trans-110.9117.8156.7177.30000106S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.53Å; S3-V27 VanDerWaalsContact O-CA 3.29Å; S3-V27 WeakPolarHBondContact O-CA 3.41Å; M4-V27 HydrophobicContact CG-CG2 4.36Å; V27-D29 PolarHBondContact O-N 3.33Å; V27-T30 PolarHBondContact N-O 3.43Å; V27-T30 WeakPolarHBondContact O-CB 3.41Å; V27-T30 PolarHBondContact O-N 2.87Å; V27-F32 HydrophobicContact CG2-CD1 4.01Å; V27-F32 HydrophobicContact CG2-CE1 4.09Å; V27-W50 HydrophobicContact CB-CH2 4.44Å; V27-W50 HydrophobicContact CB-CZ2 4.44Å; V27-W50 HydrophobicContact CG2-CH2 3.85Å; V27-W50 HydrophobicContact CG2-CZ2 4.34Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.25Å; V27-Y170 HydrophobicContact CG2-CD2 3.95Å; V27-Y170 HydrophobicContact CG2-CG 4.45Å; V27-L171 HydrophobicContact CG1-CD2 4.13Å; V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.16Å; V27-L178 HydrophobicContact CG1-CD1 3.91Å; V27-L178 HydrophobicContact CG1-CD2 4.07Å
28D97.9Very high98.4Very high33 Ų3336.1 Ų36.118%0.17618%0.176CC..THydrogen-bonded Turntrans48.7-125.1-166.2-52.6-42.9000110.8H2 S3 T30H2-D28 WeakPolarHBondContact CA-OD1 2.93Å; H2-D28 IonicContact CE1-OD2 3.19Å; H2-D28 IonicContact CG-OD2 3.34Å; H2-D28 IonicContact ND1-OD1 3.34Å; H2-D28 IonicContact ND1-OD2 2.77Å; H2-D28 PolarHBondContact ND1-OD2 3.11Å; S3-D28 PolarHBondContact N-OD1 2.83Å; S3-D28 PolarHBondContact O-N 2.93Å; S3-D28 PolarHBondContact OG-OD1 2.91Å; D28-T30 VanDerWaalsContact C-N 3.33Å
29D97.9Very high98.5Very high64 Ų6433.4 Ų33.434%0.34217%0.17SC..THydrogen-bonded Turntrans-91.37.9178.9-64.8-48000113.4V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 3.33Å; D29-Y208 HydrophobicContact CB-CE2 3.8Å; D29-P209 WeakPolarHBondContact OD2-CB 3.16Å; D29-A210 WeakPolarHBondContact OD2-CB 3.43Å; D29-A210 PolarHBondContact OD2-N 2.93Å; D29-F240 HydrophobicContact CB-CE2 3.81Å; D29-F240 HydrophobicContact CB-CZ 3.78Å
30T98.2Very high98.5Very high31 Ų3137.7 Ų37.719%0.1921%0.208CC..EExtended strand (participates in β ladder)trans-102.2113.4-177.4-61.40000111.8Y26 V27 D28 F32 A48 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.24Å; Y26-T30 VanDerWaalsContact CD1-C 3.5Å; V27-T30 PolarHBondContact N-O 3.43Å; V27-T30 WeakPolarHBondContact O-CB 3.41Å; V27-T30 PolarHBondContact O-N 2.87Å; D28-T30 VanDerWaalsContact C-N 3.33Å; T30-F32 PolarHBondContact O-N 3.19Å; T30-A48 HydrophobicContact CG2-CB 4.42Å; T30-L178 HydrophobicContact CG2-CD2 4.09Å; T30-Y208 PolarHBondContact OG1-OH 3.01Å
31Q98.4Very high98.4Very high56 Ų5637.2 Ų37.226%0.26222%0.218SC..EExtended strand (participates in β ladder)trans-69.1129.2172.5-167.7-178.45.100110.6G25 Y26 V33 R47G25-Q31 WeakPolarHBondContact O-CA 3.25Å; Y26-Q31 HydrophobicContact CD1-CB 4.07Å; Y26-Q31 HydrophobicContact CD2-CG 4.42Å; Y26-Q31 HydrophobicContact CE1-CB 3.56Å; Y26-Q31 HydrophobicContact CE1-CG 4.29Å; Y26-Q31 HydrophobicContact CE2-CB 4.1Å; Y26-Q31 HydrophobicContact CE2-CG 3.9Å; Q31-V33 PolarHBondContact NE2-O 2.83Å; Q31-R47 HydrophobicContact CG-CB 4.14Å; Q31-R47 HydrophobicContact CG-CG 4.39Å; Q31-R47 CarbonylContact O-C 3.52Å
32F98.5Very high98.3Very high0 Ų038.6 Ų38.60%023%0.228CC..EExtended strand (participates in β ladder)trans-119.7-20.5179.775.3-89.9000114.6M4 Y6 G25 V27 T30 R47 A48 W50 V51 Y170M4-F32 HydrophobicContact CG-CE1 4.42Å; M4-F32 HydrophobicContact SD-CZ 4.42Å; Y6-F32 AromaticContact CE1-CZ 4Å; Y6-F32 HydrophobicContact CE1-CZ 4Å; Y6-F32 AromaticContact CZ-CZ 3.74Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.48Å; G25-F32 WeakPolarHBondContact O-CD1 3.38Å; G25-F32 PolarHBondContact O-N 2.65Å; V27-F32 HydrophobicContact CG2-CD1 4.01Å; V27-F32 HydrophobicContact CG2-CE1 4.09Å; T30-F32 PolarHBondContact O-N 3.19Å; F32-R47 PolarHBondContact O-N 3.35Å; F32-A48 HydrophobicContact CB-CB 4.07Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.38Å; F32-W50 HydrophobicContact CB-CZ3 3.92Å; F32-W50 AromaticContact CD1-CH2 3.92Å; F32-W50 HydrophobicContact CD1-CH2 3.92Å; F32-W50 AromaticContact CD2-CH2 3.98Å; F32-W50 HydrophobicContact CD2-CH2 3.98Å; F32-W50 HydrophobicContact CD2-CZ3 4.23Å; F32-W50 AromaticContact CG-CH2 3.43Å; F32-W50 HydrophobicContact CG-CH2 3.43Å; F32-W50 VanDerWaalsContact CG-CH2 3.43Å; F32-W50 HydrophobicContact CG-CZ2 4.14Å; F32-W50 HydrophobicContact CG-CZ3 4.13Å; F32-V51 HydrophobicContact CB-CG1 4.39Å; F32-V51 HydrophobicContact CD2-CB 4.46Å; F32-V51 HydrophobicContact CD2-CG2 4.13Å; F32-V51 VanDerWaalsContact O-CG1 3.27Å; F32-V51 WeakPolarHBondContact O-CG1 3.2Å; F32-Y170 AromaticContact CE2-CE2 3.88Å; F32-Y170 HydrophobicContact CE2-CE2 3.88Å; F32-Y170 AromaticContact CZ-CE2 3.91Å; F32-Y170 HydrophobicContact CZ-CE2 3.91Å
33V98.6Very high98.3Very high0 Ų043.2 Ų43.20%024%0.242CC..EExtended strand (participates in β ladder)trans-142.5149.9179.664.80000111.9Y6 V24 G25 Q31 E45 W59 Y66Y6-V33 HydrophobicContact CE1-CG1 4.02Å; V24-V33 WeakPolarHBondContact CA-O 3.36Å; G25-V33 PolarHBondContact N-O 3.35Å; G25-V33 PolarHBondContact O-N 2.99Å; Q31-V33 PolarHBondContact NE2-O 2.83Å; V33-E45 WeakPolarHBondContact CA-O 3.38Å; V33-W59 HydrophobicContact CG2-CZ3 4.02Å; V33-Y66 WeakPolarHBondContact CG1-OH 3.18Å; V33-Y66 HydrophobicContact CG2-CE2 4.27Å
34R98.6Very high98.3Very high84 Ų8443.3 Ų43.332%0.31724%0.243SC..EExtended strand (participates in β ladder)trans-137.5147.3169.7179.5176170180-3111A23 V24 D36 E45 R47A23-R34 CarbonylContact O-C 3.42Å; A23-R34 WeakPolarHBondContact O-CA 3.34Å; V24-R34 HydrophobicContact CG1-CB 4.47Å; V24-R34 HydrophobicContact CG1-CG 4.29Å; R34-D36 IonicContact NH2-OD2 3.22Å; R34-D36 PolarHBondContact NH2-OD2 2.86Å; R34-E45 PolarHBondContact N-O 3Å; R34-E45 PolarHBondContact O-N 2.67Å; R34-R47 HydrophobicContact CB-CG 3.99Å
35F98.8Very high98.2Very high3 Ų344.6 Ų44.61%0.01325%0.247CC..EExtended strand (participates in β ladder)trans-134141.4163.9177.9-84.5000109.5F21 I22 A23 P42 R43 Y66 K67F21-F35 AromaticContact CD1-CD1 3.62Å; F21-F35 HydrophobicContact CD1-CD1 3.62Å; F21-F35 AromaticContact CD1-CE1 3.75Å; F21-F35 HydrophobicContact CD1-CE1 3.75Å; F21-F35 AromaticContact CE1-CD1 3.83Å; F21-F35 HydrophobicContact CE1-CD1 3.83Å; F21-F35 HydrophobicContact CE1-CE1 4.24Å; I22-F35 WeakPolarHBondContact CA-O 3.44Å; A23-F35 HydrophobicContact CB-CB 4.42Å; A23-F35 PolarHBondContact N-O 2.81Å; A23-F35 PolarHBondContact O-N 2.97Å; F35-P42 HydrophobicContact CE1-CB 4.49Å; F35-P42 HydrophobicContact CE2-CB 3.81Å; F35-P42 HydrophobicContact CZ-CB 3.64Å; F35-R43 WeakPolarHBondContact CD2-O 3.44Å; F35-Y66 HydrophobicContact CB-CD1 4.19Å; F35-Y66 HydrophobicContact CB-CD2 3.57Å; F35-Y66 HydrophobicContact CB-CE2 4Å; F35-Y66 HydrophobicContact CB-CG 3.68Å; F35-Y66 HydrophobicContact CD1-CG 4.29Å; F35-Y66 AromaticContact CD2-CD2 3.72Å; F35-Y66 HydrophobicContact CD2-CD2 3.72Å; F35-Y66 AromaticContact CD2-CG 3.91Å; F35-Y66 HydrophobicContact CD2-CG 3.91Å; F35-Y66 VanDerWaalsContact CG-CB 3.5Å; F35-Y66 AromaticContact CG-CD2 3.81Å; F35-Y66 HydrophobicContact CG-CD2 3.81Å; F35-Y66 AromaticContact CG-CG 3.7Å; F35-Y66 HydrophobicContact CG-CG 3.7Å; F35-K67 HydrophobicContact CE2-CG 4.23Å; F35-K67 HydrophobicContact CZ-CG 4Å
36D98.8Very high98.2Very high14 Ų1447 Ų478%0.07526%0.262CS..EExtended strand (participates in β ladder)trans-139.2117.8176.2-164.3-24.1000109.8R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 2.99Å; R20-D36 IonicContact CZ-OD2 2.65Å; R20-D36 IonicContact NE-OD1 2.71Å; R20-D36 PolarHBondContact NE-OD1 2.91Å; R20-D36 IonicContact NE-OD2 3.69Å; R20-D36 IonicContact NH2-OD1 2.98Å; R20-D36 PolarHBondContact NH2-OD1 2.69Å; R20-D36 IonicContact NH2-OD2 3.48Å; R20-D36 PolarHBondContact NH2-OD2 2.97Å; R34-D36 IonicContact NH2-OD2 3.22Å; R34-D36 PolarHBondContact NH2-OD2 2.86Å; D36-D38 PolarHBondContact O-N 3.38Å; D36-D38 PolarHBondContact OD1-N 3.31Å; D36-D38 VanDerWaalsContact OD1-N 3.13Å; D36-A39 HydrophobicContact CB-CB 4.44Å; D36-A39 WeakPolarHBondContact O-CB 3.35Å; D36-A39 PolarHBondContact O-N 2.75Å; D36-A39 VanDerWaalsContact O-N 3.17Å
37S98.5Very high98.1Very high34 Ų3449.2 Ų49.224%0.23827%0.27CS..THydrogen-bonded Turntrans-65.2-20.6-179.961.80000113.9F21 P42F21-S37 PolarHBondContact N-OG 3.01Å; F21-S37 WeakPolarHBondContact O-CB 3.12Å; F21-S37 PolarHBondContact O-N 3.15Å; F21-S37 PolarHBondContact O-OG 2.9Å; F21-S37 VanDerWaalsContact O-OG 3.1Å; S37-P42 WeakPolarHBondContact O-CG 3.4Å
38D98.1Very high98.1Very high70 Ų7049.4 Ų49.437%0.37427%0.272SS..THydrogen-bonded Turntrans-88.1-3.7178-81.61.4000112.9R13 R20 D36R13-D38 IonicContact CZ-OD1 3.42Å; R13-D38 IonicContact CZ-OD2 2.69Å; R13-D38 IonicContact NH1-OD1 3.94Å; R13-D38 PolarHBondContact NH1-OD1 3.07Å; R13-D38 IonicContact NH1-OD2 4Å; R13-D38 PolarHBondContact NH1-OD2 2.96Å; R13-D38 IonicContact NH2-OD1 3.72Å; R13-D38 PolarHBondContact NH2-OD1 3.12Å; R13-D38 IonicContact NH2-OD2 2.69Å; R20-D38 WeakPolarHBondContact CD-OD2 3.43Å; R20-D38 HydrophobicContact CG-CB 4.33Å; R20-D38 IonicContact NE-OD2 3.81Å; D36-D38 PolarHBondContact O-N 3.38Å; D36-D38 PolarHBondContact OD1-N 3.31Å; D36-D38 VanDerWaalsContact OD1-N 3.13Å
39A97.7Very high98Very high36 Ų3652.9 Ų52.930%0.29830%0.296SS..SBendtrans-62.2149.7173.500000110.7D36 S41 P42D36-A39 HydrophobicContact CB-CB 4.44Å; D36-A39 WeakPolarHBondContact O-CB 3.35Å; D36-A39 PolarHBondContact O-N 2.75Å; D36-A39 VanDerWaalsContact O-N 3.17Å; A39-S41 PolarHBondContact O-N 2.98Å; A39-S41 VanDerWaalsContact O-N 3.15Å; A39-P42 WeakPolarHBondContact O-CD 3.31Å; A39-P42 VanDerWaalsContact O-CG 3.29Å; A39-P42 WeakPolarHBondContact O-CG 3.45Å
40A97.4Very high98Very high117 Ų11750.7 Ų50.797%0.96728%0.283SS*.SBendtrans-57.9-32.4179.900000113
41S97.1Very high97.9Very high80 Ų8049.2 Ų49.256%0.55927%0.274SS*.SBendtrans-135.786.9172.1173.70000109.4A39 R43A39-S41 PolarHBondContact O-N 2.98Å; A39-S41 VanDerWaalsContact O-N 3.15Å; S41-R43 PolarHBondContact O-N 2.84Å; S41-R43 VanDerWaalsContact O-N 3.15Å
42P97.7Very high97.8Very high32 Ų3252.5 Ų52.521%0.20829%0.289CS..  trans-61.6117-174.1-24.935.8000112.4F35 S37 A39 K67F35-P42 HydrophobicContact CE1-CB 4.49Å; F35-P42 HydrophobicContact CE2-CB 3.81Å; F35-P42 HydrophobicContact CZ-CB 3.64Å; S37-P42 WeakPolarHBondContact O-CG 3.4Å; A39-P42 WeakPolarHBondContact O-CD 3.31Å; A39-P42 VanDerWaalsContact O-CG 3.29Å; A39-P42 WeakPolarHBondContact O-CG 3.45Å; P42-K67 WeakPolarHBondContact O-CE 3.37Å; P42-K67 PolarHBondContact O-NZ 2.85Å
43R98.1Very high97.7Very high149 Ų14958.2 Ų58.256%0.56232%0.316SS*.  trans-147159.6177.762.9-176173.8-172.80.5110.6F35 S41 E45 T63F35-R43 WeakPolarHBondContact CD2-O 3.44Å; S41-R43 PolarHBondContact O-N 2.84Å; S41-R43 VanDerWaalsContact O-N 3.15Å; R43-E45 HydrophobicContact CG-CG 4.1Å; R43-E45 PolarHBondContact O-N 2.79Å; R43-T63 HydrophobicContact CB-CG2 4.23Å
44G97.8Very high97.6Very high5 Ų558.8 Ų58.85%0.05232%0.319CS..  trans-65.8128.2166.200000109.1T63G44-T63 PolarHBondContact N-OG1 3.17Å
45E98Very high97.5Very high58 Ų5856.5 Ų56.527%0.27132%0.321SS..EExtended strand (participates in β ladder)trans-118133-178.2-64.2179.6157.100110V33 R34 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.38Å; R34-E45 PolarHBondContact N-O 3Å; R34-E45 PolarHBondContact O-N 2.67Å; R43-E45 HydrophobicContact CG-CG 4.1Å; R43-E45 PolarHBondContact O-N 2.79Å; E45-R47 IonicContact OE2-CZ 3.64Å; E45-R47 IonicContact OE2-NH2 3.62Å; E45-R47 PolarHBondContact OE2-NH2 2.84Å
46P98.2Very high97.4Very high50 Ų5061 Ų6133%0.32535%0.351SS..EExtended strand (participates in β ladder)trans-65144.417428.2-34000110.7V51 E52 W59P46-V51 HydrophobicContact CB-CG1 3.77Å; P46-E52 HydrophobicContact CB-CG 3.77Å; P46-E52 HydrophobicContact CG-CG 4.03Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 3.79Å; P46-W59 HydrophobicContact CG-CH2 4.29Å; P46-W59 HydrophobicContact CG-CZ2 4.25Å
47R98Very high97.4Very high117 Ų11768.3 Ų68.344%0.44239%0.385SS..  trans-128.1-1.2175.1-60.2-64.7171.6179.2-2.5113.3Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.14Å; Q31-R47 HydrophobicContact CG-CG 4.39Å; Q31-R47 CarbonylContact O-C 3.52Å; F32-R47 PolarHBondContact O-N 3.35Å; R34-R47 HydrophobicContact CB-CG 3.99Å; E45-R47 IonicContact OE2-CZ 3.64Å; E45-R47 IonicContact OE2-NH2 3.62Å; E45-R47 PolarHBondContact OE2-NH2 2.84Å
48A97Very high97.3Very high5 Ų567.2 Ų67.24%0.04138%0.375CS..SBendtrans-136.5144.117300000110.7T30 F32 W50 V51T30-A48 HydrophobicContact CG2-CB 4.42Å; F32-A48 HydrophobicContact CB-CB 4.07Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.15Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 2.93Å; A48-V51 WeakPolarHBondContact O-CG1 3.46Å; A48-V51 PolarHBondContact O-N 3.01Å
49P96.9Very high97.3Very high105 Ų10565.7 Ų65.768%0.68236%0.364SS*.Hα-helixtrans-58.4-38-177-26.434.8000113.8V51 E52P49-V51 PolarHBondContact O-N 2.95Å; P49-E52 WeakPolarHBondContact O-CB 3.4Å; P49-E52 PolarHBondContact O-N 2.78Å; P49-E52 VanDerWaalsContact O-N 3.1Å
50W96.9Very high97.4Very high18 Ų1869 Ų697%0.06838%0.377CS..Hα-helixtrans-69.8-13.3-175.553.4-107.3000114.5V27 F32 A48 Q53 Y170 N173 L178V27-W50 HydrophobicContact CB-CH2 4.44Å; V27-W50 HydrophobicContact CB-CZ2 4.44Å; V27-W50 HydrophobicContact CG2-CH2 3.85Å; V27-W50 HydrophobicContact CG2-CZ2 4.34Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.38Å; F32-W50 HydrophobicContact CB-CZ3 3.92Å; F32-W50 AromaticContact CD1-CH2 3.92Å; F32-W50 HydrophobicContact CD1-CH2 3.92Å; F32-W50 AromaticContact CD2-CH2 3.98Å; F32-W50 HydrophobicContact CD2-CH2 3.98Å; F32-W50 HydrophobicContact CD2-CZ3 4.23Å; F32-W50 AromaticContact CG-CH2 3.43Å; F32-W50 HydrophobicContact CG-CH2 3.43Å; F32-W50 VanDerWaalsContact CG-CH2 3.43Å; F32-W50 HydrophobicContact CG-CZ2 4.14Å; F32-W50 HydrophobicContact CG-CZ3 4.13Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.15Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 2.93Å; W50-Q53 WeakPolarHBondContact O-CG 3.3Å; W50-Q53 PolarHBondContact O-NE2 2.9Å; W50-Y170 HydrophobicContact CE3-CD1 4.11Å; W50-Y170 HydrophobicContact CE3-CG 4.37Å; W50-Y170 HydrophobicContact CH2-CD1 4.44Å; W50-Y170 HydrophobicContact CH2-CD2 4.38Å; W50-Y170 HydrophobicContact CH2-CG 4.04Å; W50-Y170 AromaticContact CZ3-CD1 3.49Å; W50-Y170 HydrophobicContact CZ3-CD1 3.49Å; W50-Y170 VanDerWaalsContact CZ3-CD1 3.49Å; W50-Y170 HydrophobicContact CZ3-CD2 4.17Å; W50-Y170 HydrophobicContact CZ3-CE1 4.15Å; W50-Y170 AromaticContact CZ3-CG 3.51Å; W50-Y170 HydrophobicContact CZ3-CG 3.51Å; W50-N173 HydrophobicContact CB-CB 4.39Å; W50-L178 HydrophobicContact CD2-CD1 4.41Å; W50-L178 HydrophobicContact CH2-CD1 4.46Å; W50-L178 HydrophobicContact CZ2-CD1 3.87Å; W50-L178 HydrophobicContact CZ2-CD2 4.23Å; W50-L178 HydrophobicContact CZ2-CG 4.48Å
51V97.5Very high97.4Very high0 Ų068.5 Ų68.50%035%0.35CS..Hα-helixtrans-94.2-16.1173.273.60000112.3F32 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-V51 HydrophobicContact CB-CG1 4.39Å; F32-V51 HydrophobicContact CD2-CB 4.46Å; F32-V51 HydrophobicContact CD2-CG2 4.13Å; F32-V51 VanDerWaalsContact O-CG1 3.27Å; F32-V51 WeakPolarHBondContact O-CG1 3.2Å; P46-V51 HydrophobicContact CB-CG1 3.77Å; A48-V51 WeakPolarHBondContact O-CG1 3.46Å; A48-V51 PolarHBondContact O-N 3.01Å; P49-V51 PolarHBondContact O-N 2.95Å; V51-Q53 PolarHBondContact O-N 2.02Å; V51-E54 HydrophobicContact CG2-CG 3.91Å; V51-E54 WeakPolarHBondContact O-CB 3.03Å; V51-E54 WeakPolarHBondContact O-CG 3.28Å; V51-E54 PolarHBondContact O-N 2.89Å; V51-Y58 HydrophobicContact CG2-CE1 4.2Å; V51-W59 HydrophobicContact CG1-CH2 4.01Å; V51-W59 HydrophobicContact CG1-CZ2 4.22Å; V51-W59 HydrophobicContact CG2-CH2 3.94Å; V51-W59 HydrophobicContact CG2-CZ2 4Å; V51-W59 WeakPolarHBondContact O-CZ2 3.49Å; V51-Y170 HydrophobicContact CG2-CE1 4.4Å
52E96Very high97.4Very high125 Ų12565.3 Ų65.358%0.58433%0.326SS*.Hα-helixtrans-63.7-25.8-179.4-65.3-176.8-179.600112.9P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.77Å; P46-E52 HydrophobicContact CG-CG 4.03Å; P49-E52 WeakPolarHBondContact O-CB 3.4Å; P49-E52 PolarHBondContact O-N 2.78Å; P49-E52 VanDerWaalsContact O-N 3.1Å; E52-E54 PolarHBondContact O-N 3.33Å
53Q95.6Very high97.5Very high120 Ų12064.3 Ų64.356%0.56132%0.32SS*.THydrogen-bonded Turntrans-70.9-11.2175.365.7179.40.400114.1W50 V51 G55 N173W50-Q53 WeakPolarHBondContact O-CG 3.3Å; W50-Q53 PolarHBondContact O-NE2 2.9Å; V51-Q53 PolarHBondContact O-N 2.02Å; Q53-G55 PolarHBondContact O-N 3.07Å; Q53-N173 PolarHBondContact NE2-ND2 2.92Å; Q53-N173 PolarHBondContact NE2-OD1 2.85Å
54E97.4Very high97.5Very high13 Ų1362.1 Ų62.16%0.06132%0.316CS..SBendtrans-66.1135174.2-63.2-60.7164.400110.5V51 E52 Y58 W59 R169 N173V51-E54 HydrophobicContact CG2-CG 3.91Å; V51-E54 WeakPolarHBondContact O-CB 3.03Å; V51-E54 WeakPolarHBondContact O-CG 3.28Å; V51-E54 PolarHBondContact O-N 2.89Å; E52-E54 PolarHBondContact O-N 3.33Å; E54-Y58 HydrophobicContact CB-CD1 3.59Å; E54-Y58 HydrophobicContact CB-CD2 4.46Å; E54-Y58 HydrophobicContact CB-CE1 4.22Å; E54-Y58 HydrophobicContact CB-CG 3.74Å; E54-Y58 HydrophobicContact CG-CD1 4.12Å; E54-Y58 HydrophobicContact CG-CD2 4.46Å; E54-Y58 HydrophobicContact CG-CE1 4.34Å; E54-Y58 HydrophobicContact CG-CG 4.2Å; E54-W59 PolarHBondContact O-NE1 3.19Å; E54-W59 VanDerWaalsContact O-NE1 3.08Å; E54-R169 IonicContact OE1-CZ 3.48Å; E54-R169 IonicContact OE1-NE 3.04Å; E54-R169 PolarHBondContact OE1-NE 3.34Å; E54-R169 IonicContact OE1-NH2 2.95Å; E54-R169 PolarHBondContact OE1-NH2 2.94Å; E54-R169 IonicContact OE2-CZ 2.78Å; E54-R169 IonicContact OE2-NE 3.52Å; E54-R169 PolarHBondContact OE2-NE 2.63Å; E54-R169 IonicContact OE2-NH2 2.64Å; E54-R169 PolarHBondContact OE2-NH2 2.99Å; E54-N173 PolarHBondContact OE1-ND2 2.8Å
55G96.3Very high97.5Very high36 Ų3665.2 Ų65.237%0.37133%0.328SS..  trans-69.2169.4-174.100000114.2Q53 E57 Y58 W59Q53-G55 PolarHBondContact O-N 3.07Å; G55-E57 PolarHBondContact O-N 3.48Å; G55-Y58 WeakPolarHBondContact O-CB 3.36Å; G55-Y58 PolarHBondContact O-N 2.83Å; G55-W59 PolarHBondContact O-N 3.46Å
56P97Very high97.5Very high98 Ų9863.1 Ų63.164%0.63632%0.318SS*.Hα-helixtrans-57.1-35.2-178.822.8-33.6000113.1Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 3.43Å; P56-W59 PolarHBondContact O-N 3.49Å; P56-W59 VanDerWaalsContact O-N 3.16Å; P56-D60 WeakPolarHBondContact O-CB 3.5Å; P56-D60 PolarHBondContact O-N 3.02Å
57E97.6Very high97.5Very high167 Ų16764.9 Ų64.978%0.7832%0.32SS*.Hα-helixtrans-60.4-35.3177.6-63.1-178.9178.400113G55 R61G55-E57 PolarHBondContact O-N 3.48Å; E57-R61 WeakPolarHBondContact O-CB 3.36Å; E57-R61 PolarHBondContact O-N 2.98Å
58Y97.8Very high97.5Very high10 Ų1067 Ų674%0.03933%0.328CS..Hα-helixtrans-64.1-52.5174.3170.4-91.5000109.9V51 E54 G55 P56 D60 R61 E62 W166 Y170V51-Y58 HydrophobicContact CG2-CE1 4.2Å; E54-Y58 HydrophobicContact CB-CD1 3.59Å; E54-Y58 HydrophobicContact CB-CD2 4.46Å; E54-Y58 HydrophobicContact CB-CE1 4.22Å; E54-Y58 HydrophobicContact CB-CG 3.74Å; E54-Y58 HydrophobicContact CG-CD1 4.12Å; E54-Y58 HydrophobicContact CG-CD2 4.46Å; E54-Y58 HydrophobicContact CG-CE1 4.34Å; E54-Y58 HydrophobicContact CG-CG 4.2Å; G55-Y58 WeakPolarHBondContact O-CB 3.36Å; G55-Y58 PolarHBondContact O-N 2.83Å; P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 3.43Å; Y58-D60 PolarHBondContact O-N 2.75Å; Y58-R61 PolarHBondContact O-N 2.69Å; Y58-E62 HydrophobicContact CD1-CG 4.35Å; Y58-E62 HydrophobicContact CD2-CG 4.19Å; Y58-E62 HydrophobicContact CE1-CG 3.97Å; Y58-E62 HydrophobicContact CE2-CG 3.8Å; Y58-E62 HydrophobicContact CG-CG 4.44Å; Y58-E62 WeakPolarHBondContact O-CG 3.46Å; Y58-E62 PolarHBondContact O-N 3.42Å; Y58-W166 AromaticContact CD2-CH2 3.49Å; Y58-W166 HydrophobicContact CD2-CH2 3.49Å; Y58-W166 VanDerWaalsContact CD2-CH2 3.49Å; Y58-W166 HydrophobicContact CD2-CZ2 4.16Å; Y58-W166 AromaticContact CD2-CZ3 3.8Å; Y58-W166 HydrophobicContact CD2-CZ3 3.8Å; Y58-W166 HydrophobicContact CE2-CE3 4.22Å; Y58-W166 AromaticContact CE2-CH2 3.82Å; Y58-W166 HydrophobicContact CE2-CH2 3.82Å; Y58-W166 HydrophobicContact CE2-CZ2 4.42Å; Y58-W166 AromaticContact CE2-CZ3 3.7Å; Y58-W166 HydrophobicContact CE2-CZ3 3.7Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.3Å; Y58-Y170 VanDerWaalsContact CZ-OH 3.29Å; Y58-Y170 PolarHBondContact OH-OH 3.22Å
59W98.3Very high97.6Very high38 Ų3868.6 Ų68.614%0.14434%0.335CS..Hα-helixtrans-64-39.2-177.2-67112.2000113V33 P46 V51 E54 G55 P56 T63V33-W59 HydrophobicContact CG2-CZ3 4.02Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 3.79Å; P46-W59 HydrophobicContact CG-CH2 4.29Å; P46-W59 HydrophobicContact CG-CZ2 4.25Å; V51-W59 HydrophobicContact CG1-CH2 4.01Å; V51-W59 HydrophobicContact CG1-CZ2 4.22Å; V51-W59 HydrophobicContact CG2-CH2 3.94Å; V51-W59 HydrophobicContact CG2-CZ2 4Å; V51-W59 WeakPolarHBondContact O-CZ2 3.49Å; E54-W59 PolarHBondContact O-NE1 3.19Å; E54-W59 VanDerWaalsContact O-NE1 3.08Å; G55-W59 PolarHBondContact O-N 3.46Å; P56-W59 PolarHBondContact O-N 3.49Å; P56-W59 VanDerWaalsContact O-N 3.16Å; W59-T63 WeakPolarHBondContact O-CB 3.37Å; W59-T63 PolarHBondContact O-N 2.96Å; W59-T63 PolarHBondContact O-OG1 3.19Å
60D98.2Very high97.7Very high107 Ų10764.4 Ų64.457%0.57231%0.309SS*.Hα-helixtrans-64.2-47174.9-75.2-22.6000110.8P56 Y58 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.5Å; P56-D60 PolarHBondContact O-N 3.02Å; Y58-D60 PolarHBondContact O-N 2.75Å; D60-T63 PolarHBondContact O-N 2.8Å; D60-Q64 VanDerWaalsContact O-CG 3.3Å; D60-Q64 WeakPolarHBondContact O-CG 3.22Å; D60-Q64 PolarHBondContact O-N 3.19Å
61R97.7Very high97.7Very high106 Ų10668.7 Ų68.740%0.433%0.33SS..Hα-helixtrans-62.4-47.1178.9-173.9-176.469.5-163.4-3.3112E57 Y58 Q64 K65E57-R61 WeakPolarHBondContact O-CB 3.36Å; E57-R61 PolarHBondContact O-N 2.98Å; Y58-R61 PolarHBondContact O-N 2.69Å; R61-Q64 PolarHBondContact O-N 3.04Å; R61-K65 WeakPolarHBondContact O-CG 3.37Å; R61-K65 PolarHBondContact O-N 2.97Å
62E97.8Very high97.8Very high12 Ų1272.2 Ų72.26%0.05635%0.351CS..Hα-helixtrans-66-41.3178.7-64-42.5119.200111.2Y58 Q64 K65 Y66Y58-E62 HydrophobicContact CD1-CG 4.35Å; Y58-E62 HydrophobicContact CD2-CG 4.19Å; Y58-E62 HydrophobicContact CE1-CG 3.97Å; Y58-E62 HydrophobicContact CE2-CG 3.8Å; Y58-E62 HydrophobicContact CG-CG 4.44Å; Y58-E62 WeakPolarHBondContact O-CG 3.46Å; Y58-E62 PolarHBondContact O-N 3.42Å; E62-Q64 VanDerWaalsContact C-N 3.32Å; E62-Q64 PolarHBondContact O-N 2.97Å; E62-K65 WeakPolarHBondContact O-CB 3.48Å; E62-K65 PolarHBondContact O-N 2.69Å; E62-K65 VanDerWaalsContact O-N 3.12Å; E62-K65 IonicContact OE1-NZ 2.81Å; E62-K65 PolarHBondContact OE1-NZ 3.24Å; E62-K65 WeakPolarHBondContact OE2-CD 3.49Å; E62-K65 IonicContact OE2-NZ 3.56Å; E62-K65 PolarHBondContact OE2-NZ 2.98Å; E62-Y66 HydrophobicContact CB-CE2 4.1Å; E62-Y66 WeakPolarHBondContact O-CD2 3.39Å; E62-Y66 PolarHBondContact O-N 2.83Å
63T98.5Very high97.9Very high11 Ų1166.4 Ų66.47%0.06733%0.325CS..Hα-helixtrans-56.7-44.8173.5-64.70000112.1R43 G44 W59 D60 Y66 K67R43-T63 HydrophobicContact CB-CG2 4.23Å; G44-T63 PolarHBondContact N-OG1 3.17Å; W59-T63 WeakPolarHBondContact O-CB 3.37Å; W59-T63 PolarHBondContact O-N 2.96Å; W59-T63 PolarHBondContact O-OG1 3.19Å; D60-T63 PolarHBondContact O-N 2.8Å; T63-Y66 PolarHBondContact O-N 3Å; T63-K67 HydrophobicContact CG2-CD 4.19Å; T63-K67 WeakPolarHBondContact O-CG 3.27Å; T63-K67 PolarHBondContact O-N 3.33Å
64Q98.4Very high98Very high104 Ų10463.7 Ų63.749%0.48631%0.309SS..Hα-helixtrans-68.1-34.3177.7-67.8-58.7-27.800112.5D60 R61 E62 R68D60-Q64 VanDerWaalsContact O-CG 3.3Å; D60-Q64 WeakPolarHBondContact O-CG 3.22Å; D60-Q64 PolarHBondContact O-N 3.19Å; R61-Q64 PolarHBondContact O-N 3.04Å; E62-Q64 VanDerWaalsContact C-N 3.32Å; E62-Q64 PolarHBondContact O-N 2.97Å; Q64-R68 WeakPolarHBondContact O-CB 3.5Å; Q64-R68 WeakPolarHBondContact O-CG 3.38Å; Q64-R68 PolarHBondContact O-N 3.38Å
65K97.8Very high98Very high69 Ų6966.7 Ų66.730%0.333%0.328SS..Hα-helixtrans-62.3-48.4172.1-73.9170.3177.3175.40111.2R61 E62 K67 R68 Q69R61-K65 WeakPolarHBondContact O-CG 3.37Å; R61-K65 PolarHBondContact O-N 2.97Å; E62-K65 WeakPolarHBondContact O-CB 3.48Å; E62-K65 PolarHBondContact O-N 2.69Å; E62-K65 VanDerWaalsContact O-N 3.12Å; E62-K65 IonicContact OE1-NZ 2.81Å; E62-K65 PolarHBondContact OE1-NZ 3.24Å; E62-K65 WeakPolarHBondContact OE2-CD 3.49Å; E62-K65 IonicContact OE2-NZ 3.56Å; E62-K65 PolarHBondContact OE2-NZ 2.98Å; K65-K67 PolarHBondContact O-N 2.67Å; K65-R68 PolarHBondContact O-N 3.34Å; K65-Q69 PolarHBondContact O-N 3.32Å
66Y98.5Very high98.1Very high15 Ų1566.8 Ų66.86%0.05932%0.323CS..Hα-helixtrans-61-43.1177.5-64.6-52.3000112.5F21 A23 V33 F35 E62 T63 R68 Q69 A70F21-Y66 HydrophobicContact CE1-CD1 4.17Å; F21-Y66 HydrophobicContact CZ-CD1 4.5Å; A23-Y66 HydrophobicContact CB-CD1 3.66Å; A23-Y66 HydrophobicContact CB-CE1 3.58Å; V33-Y66 WeakPolarHBondContact CG1-OH 3.18Å; V33-Y66 HydrophobicContact CG2-CE2 4.27Å; F35-Y66 HydrophobicContact CB-CD1 4.19Å; F35-Y66 HydrophobicContact CB-CD2 3.57Å; F35-Y66 HydrophobicContact CB-CE2 4Å; F35-Y66 HydrophobicContact CB-CG 3.68Å; F35-Y66 HydrophobicContact CD1-CG 4.29Å; F35-Y66 AromaticContact CD2-CD2 3.72Å; F35-Y66 HydrophobicContact CD2-CD2 3.72Å; F35-Y66 AromaticContact CD2-CG 3.91Å; F35-Y66 HydrophobicContact CD2-CG 3.91Å; F35-Y66 VanDerWaalsContact CG-CB 3.5Å; F35-Y66 AromaticContact CG-CD2 3.81Å; F35-Y66 HydrophobicContact CG-CD2 3.81Å; F35-Y66 AromaticContact CG-CG 3.7Å; F35-Y66 HydrophobicContact CG-CG 3.7Å; E62-Y66 HydrophobicContact CB-CE2 4.1Å; E62-Y66 WeakPolarHBondContact O-CD2 3.39Å; E62-Y66 PolarHBondContact O-N 2.83Å; T63-Y66 PolarHBondContact O-N 3Å; Y66-R68 PolarHBondContact O-N 2.89Å; Y66-Q69 PolarHBondContact O-N 2.61Å; Y66-A70 WeakPolarHBondContact O-CB 3.17Å; Y66-A70 PolarHBondContact O-N 3.13Å
67K98.4Very high98.2Very high87 Ų8762.6 Ų62.638%0.37830%0.295SS..Hα-helixtrans-62.1-41.1176.4-74178.5178.7177.20112.6F35 P42 T63 K65 Q71F35-K67 HydrophobicContact CE2-CG 4.23Å; F35-K67 HydrophobicContact CZ-CG 4Å; P42-K67 WeakPolarHBondContact O-CE 3.37Å; P42-K67 PolarHBondContact O-NZ 2.85Å; T63-K67 HydrophobicContact CG2-CD 4.19Å; T63-K67 WeakPolarHBondContact O-CG 3.27Å; T63-K67 PolarHBondContact O-N 3.33Å; K65-K67 PolarHBondContact O-N 2.67Å; K67-Q71 PolarHBondContact O-N 2.72Å
68R98.4Very high98.2Very high160 Ų16060.4 Ų60.460%0.60428%0.28SS*.Hα-helixtrans-64.9-44.7174.3-75.1-174.1-65.6179.71.3111.3Q64 K65 Y66 A70 Q71 T72Q64-R68 WeakPolarHBondContact O-CB 3.5Å; Q64-R68 WeakPolarHBondContact O-CG 3.38Å; Q64-R68 PolarHBondContact O-N 3.38Å; K65-R68 PolarHBondContact O-N 3.34Å; Y66-R68 PolarHBondContact O-N 2.89Å; R68-A70 VanDerWaalsContact C-N 3.34Å; R68-A70 PolarHBondContact O-N 2.7Å; R68-Q71 PolarHBondContact O-N 3.41Å; R68-Q71 VanDerWaalsContact O-N 3.15Å; R68-T72 PolarHBondContact O-N 3.26Å; R68-T72 PolarHBondContact O-OG1 2.91Å
69Q98.3Very high98.2Very high40 Ų4063.4 Ų63.419%0.18730%0.296CS..Hα-helixtrans-61.8-41.5178.3-16961.645.100111.9F21 K65 Y66 Q71 T72 D73 W96F21-Q69 HydrophobicContact CE2-CB 4.07Å; F21-Q69 HydrophobicContact CE2-CG 3.64Å; F21-Q69 HydrophobicContact CZ-CB 3.92Å; F21-Q69 HydrophobicContact CZ-CG 3.82Å; K65-Q69 PolarHBondContact O-N 3.32Å; Y66-Q69 PolarHBondContact O-N 2.61Å; Q69-Q71 VanDerWaalsContact C-N 3.26Å; Q69-Q71 PolarHBondContact O-N 2.79Å; Q69-T72 WeakPolarHBondContact O-CB 3.38Å; Q69-T72 PolarHBondContact O-N 3.22Å; Q69-T72 VanDerWaalsContact O-N 3.09Å; Q69-D73 PolarHBondContact NE2-OD1 3.17Å; Q69-D73 PolarHBondContact O-N 3.01Å; Q69-W96 HydrophobicContact CG-CE3 4.28Å; Q69-W96 HydrophobicContact CG-CZ3 4.08Å
70A98.4Very high98.2Very high17 Ų1761.8 Ų61.814%0.1429%0.291CS..Hα-helixtrans-58-37.7175.500000112.7F21 Y66 R68 R74F21-A70 HydrophobicContact CB-CB 3.6Å; F21-A70 HydrophobicContact CD1-CB 3.98Å; F21-A70 HydrophobicContact CD2-CB 4.07Å; F21-A70 HydrophobicContact CG-CB 3.62Å; Y66-A70 WeakPolarHBondContact O-CB 3.17Å; Y66-A70 PolarHBondContact O-N 3.13Å; R68-A70 VanDerWaalsContact C-N 3.34Å; R68-A70 PolarHBondContact O-N 2.7Å; A70-R74 WeakPolarHBondContact O-CB 3.41Å; A70-R74 PolarHBondContact O-N 3Å; A70-R74 VanDerWaalsContact O-N 3.1Å
71Q98.3Very high98.1Very high108 Ų10859.8 Ų59.851%0.50528%0.275SS..Hα-helixtrans-71.4-40.3174.3-64.1-55.1-43.600112.1K67 R68 Q69 R74 V75K67-Q71 PolarHBondContact O-N 2.72Å; R68-Q71 PolarHBondContact O-N 3.41Å; R68-Q71 VanDerWaalsContact O-N 3.15Å; Q69-Q71 VanDerWaalsContact C-N 3.26Å; Q69-Q71 PolarHBondContact O-N 2.79Å; Q71-R74 WeakPolarHBondContact O-CB 3.28Å; Q71-R74 PolarHBondContact O-N 3.36Å; Q71-V75 PolarHBondContact O-N 3.17Å
72T98.1Very high98.1Very high73 Ų7356.8 Ų56.845%0.44828%0.278SS..Hα-helixtrans-58.8-49.5173.9-600000110.8R68 Q69 R74 V75 S76R68-T72 PolarHBondContact O-N 3.26Å; R68-T72 PolarHBondContact O-OG1 2.91Å; Q69-T72 WeakPolarHBondContact O-CB 3.38Å; Q69-T72 PolarHBondContact O-N 3.22Å; Q69-T72 VanDerWaalsContact O-N 3.09Å; T72-R74 VanDerWaalsContact C-N 3.3Å; T72-R74 PolarHBondContact O-N 3.07Å; T72-V75 PolarHBondContact O-N 2.95Å; T72-V75 VanDerWaalsContact O-N 3.07Å; T72-S76 PolarHBondContact O-N 3.15Å; T72-S76 PolarHBondContact O-OG 3.13Å
73D98.3Very high98.1Very high4 Ų458.8 Ų58.82%0.02129%0.285CS..Hα-helixtrans-62.7-37.3-179.6-77.614.7000112.2S10 F21 Q69 V75 S76 L77 L94S10-D73 WeakPolarHBondContact OG-CB 3.41Å; S10-D73 PolarHBondContact OG-OD2 2.83Å; F21-D73 HydrophobicContact CD2-CB 4.49Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.43Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.46Å; Q69-D73 PolarHBondContact NE2-OD1 3.17Å; Q69-D73 PolarHBondContact O-N 3.01Å; D73-V75 VanDerWaalsContact C-N 3.31Å; D73-V75 PolarHBondContact O-N 3.42Å; D73-S76 PolarHBondContact O-N 3.15Å; D73-L77 WeakPolarHBondContact O-CB 3.49Å; D73-L77 WeakPolarHBondContact O-CG 3.37Å; D73-L77 PolarHBondContact O-N 3.49Å; D73-L94 HydrophobicContact CB-CD2 4.2Å
74R98Very high98.1Very high63 Ų6361.4 Ų61.424%0.23829%0.294CS..Hα-helixtrans-58.9-42.5173.3178-172.9179.6-1622.3111.8E18 P19 A70 Q71 T72 R78E18-R74 VanDerWaalsContact CD-NE 3.25Å; E18-R74 IonicContact OE1-CZ 3.2Å; E18-R74 VanDerWaalsContact OE1-CZ 3.28Å; E18-R74 IonicContact OE1-NE 3.48Å; E18-R74 IonicContact OE1-NH2 2.62Å; E18-R74 PolarHBondContact OE1-NH2 3.28Å; E18-R74 WeakPolarHBondContact OE2-CD 3.36Å; E18-R74 IonicContact OE2-CZ 3.54Å; E18-R74 IonicContact OE2-NE 3.56Å; E18-R74 PolarHBondContact OE2-NE 2.79Å; E18-R74 IonicContact OE2-NH2 3.48Å; E18-R74 PolarHBondContact OE2-NH2 3.29Å; P19-R74 HydrophobicContact CG-CB 4.49Å; P19-R74 HydrophobicContact CG-CG 4.29Å; A70-R74 WeakPolarHBondContact O-CB 3.41Å; A70-R74 PolarHBondContact O-N 3Å; A70-R74 VanDerWaalsContact O-N 3.1Å; Q71-R74 WeakPolarHBondContact O-CB 3.28Å; Q71-R74 PolarHBondContact O-N 3.36Å; T72-R74 VanDerWaalsContact C-N 3.3Å; T72-R74 PolarHBondContact O-N 3.07Å; R74-R78 VanDerWaalsContact NE-NH2 3.16Å; R74-R78 PolarHBondContact O-N 2.93Å
75V98Very high98.1Very high76 Ų7663.8 Ų63.846%0.46131%0.31SS..Hα-helixtrans-70-42.5175.7176.40000110.4Q71 T72 D73 L77 R78 N79Q71-V75 PolarHBondContact O-N 3.17Å; T72-V75 PolarHBondContact O-N 2.95Å; T72-V75 VanDerWaalsContact O-N 3.07Å; D73-V75 VanDerWaalsContact C-N 3.31Å; D73-V75 PolarHBondContact O-N 3.42Å; V75-L77 PolarHBondContact O-N 2.8Å; V75-R78 WeakPolarHBondContact O-CB 3.21Å; V75-R78 PolarHBondContact O-N 3.47Å; V75-R78 VanDerWaalsContact O-N 3.17Å; V75-N79 PolarHBondContact O-N 2.98Å
76S98.3Very high98.1Very high37 Ų3763.4 Ų63.426%0.25931%0.309SS..Hα-helixtrans-58.4-45.7176.7-64.10000112.1T72 D73 R78 N79 L80T72-S76 PolarHBondContact O-N 3.15Å; T72-S76 PolarHBondContact O-OG 3.13Å; D73-S76 PolarHBondContact O-N 3.15Å; S76-R78 VanDerWaalsContact C-N 3.28Å; S76-R78 PolarHBondContact O-N 2.98Å; S76-N79 PolarHBondContact O-N 3.1Å; S76-N79 VanDerWaalsContact O-N 3.12Å; S76-L80 WeakPolarHBondContact O-CB 3.38Å; S76-L80 WeakPolarHBondContact O-CD1 3.29Å; S76-L80 VanDerWaalsContact O-CG 3.22Å; S76-L80 WeakPolarHBondContact O-CG 3.2Å; S76-L80 PolarHBondContact O-N 2.91Å
77L98.5Very high97.9Very high10 Ų1066.5 Ų66.55%0.05233%0.333CS..Hα-helixtrans-58.3-37.9176.2-77.8168.3000112.6P19 D73 V75 R81 H92 L94 Y117P19-L77 HydrophobicContact CB-CD1 3.66Å; P19-L77 HydrophobicContact CG-CD1 3.79Å; D73-L77 WeakPolarHBondContact O-CB 3.49Å; D73-L77 WeakPolarHBondContact O-CG 3.37Å; D73-L77 PolarHBondContact O-N 3.49Å; V75-L77 PolarHBondContact O-N 2.8Å; L77-R81 WeakPolarHBondContact O-CB 3.34Å; L77-R81 PolarHBondContact O-N 3.05Å; L77-R81 VanDerWaalsContact O-N 3.13Å; L77-H92 HydrophobicContact CD2-CB 4.29Å; L77-L94 HydrophobicContact CD2-CB 3.71Å; L77-L94 HydrophobicContact CG-CB 4.13Å; L77-Y117 HydrophobicContact CD2-CE2 3.98Å
78R97.4Very high97.7Very high121 Ų12168.7 Ų68.746%0.45735%0.345SS..Hα-helixtrans-68.6-42.2175.1-69175.8-176.6169.41112R74 V75 S76 G82R74-R78 VanDerWaalsContact NE-NH2 3.16Å; R74-R78 PolarHBondContact O-N 2.93Å; V75-R78 WeakPolarHBondContact O-CB 3.21Å; V75-R78 PolarHBondContact O-N 3.47Å; V75-R78 VanDerWaalsContact O-N 3.17Å; S76-R78 VanDerWaalsContact C-N 3.28Å; S76-R78 PolarHBondContact O-N 2.98Å; R78-G82 PolarHBondContact O-N 2.88Å
79N97.9Very high97.5Very high73 Ų7365 Ų6539%0.3935%0.349SS..Hα-helixtrans-64.6-47.2177.9-69.1-21.3000111.4V75 S76 R81 G82 Y83V75-N79 PolarHBondContact O-N 2.98Å; S76-N79 PolarHBondContact O-N 3.1Å; S76-N79 VanDerWaalsContact O-N 3.12Å; N79-R81 PolarHBondContact O-N 3.26Å; N79-G82 CarbonylContact O-C 3.6Å; N79-G82 WeakPolarHBondContact O-CA 3.34Å; N79-G82 PolarHBondContact O-N 3.31Å; N79-Y83 WeakPolarHBondContact O-CD1 3.39Å; N79-Y83 PolarHBondContact O-N 3.25Å
80L98.3Very high97.3Very high5 Ų564.4 Ų64.43%0.02635%0.353CS..Hα-helixtrans-58.9-48.3179.5-71.9164.2000111S76 G82 Y83 Y84 L94 Y117 Y122S76-L80 WeakPolarHBondContact O-CB 3.38Å; S76-L80 WeakPolarHBondContact O-CD1 3.29Å; S76-L80 VanDerWaalsContact O-CG 3.22Å; S76-L80 WeakPolarHBondContact O-CG 3.2Å; S76-L80 PolarHBondContact O-N 2.91Å; L80-G82 PolarHBondContact O-N 3.25Å; L80-Y83 HydrophobicContact CD2-CD2 4.49Å; L80-Y83 PolarHBondContact O-N 3.34Å; L80-Y84 HydrophobicContact CD2-CE2 4.22Å; L80-Y84 VanDerWaalsContact O-CD2 3.25Å; L80-Y84 WeakPolarHBondContact O-CD2 3.49Å; L80-Y84 PolarHBondContact O-N 3.25Å; L80-L94 HydrophobicContact CD1-CD1 3.93Å; L80-L94 HydrophobicContact CD1-CD2 4.3Å; L80-Y117 HydrophobicContact CB-CD1 4.37Å; L80-Y117 HydrophobicContact CB-CD2 4.22Å; L80-Y117 HydrophobicContact CB-CE1 4Å; L80-Y117 HydrophobicContact CB-CE2 3.87Å; L80-Y117 HydrophobicContact CB-CG 4.45Å; L80-Y117 HydrophobicContact CD1-CD2 3.61Å; L80-Y117 HydrophobicContact CD1-CE2 3.93Å; L80-Y117 HydrophobicContact CD1-CG 4.07Å; L80-Y117 HydrophobicContact CD2-CG 4.43Å; L80-Y117 HydrophobicContact CG-CD2 4.39Å; L80-Y117 HydrophobicContact CG-CE2 4.48Å; L80-Y122 HydrophobicContact CD2-CD1 4.39Å; L80-Y122 HydrophobicContact CD2-CD2 3.98Å; L80-Y122 HydrophobicContact CD2-CE1 3.85Å; L80-Y122 HydrophobicContact CD2-CE2 3.36Å; L80-Y122 HydrophobicContact CD2-CG 4.45Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.33Å
81R97.5Very high97.3Very high64 Ų6467.2 Ų67.224%0.24237%0.372CS..Hα-helixtrans-52.8-41.5173.8-173.8-170.965.6-179.410.1112.1L77 N79 N85 Q86 E88L77-R81 WeakPolarHBondContact O-CB 3.34Å; L77-R81 PolarHBondContact O-N 3.05Å; L77-R81 VanDerWaalsContact O-N 3.13Å; N79-R81 PolarHBondContact O-N 3.26Å; R81-N85 PolarHBondContact O-N 2.83Å; R81-N85 VanDerWaalsContact O-N 3.14Å; R81-Q86 HydrophobicContact CG-CB 3.77Å; R81-Q86 WeakPolarHBondContact CG-O 2.8Å; R81-Q86 PolarHBondContact O-N 2.79Å; R81-E88 IonicContact CZ-OE1 2.75Å; R81-E88 VanDerWaalsContact CZ-OE1 3.26Å; R81-E88 IonicContact NH1-OE1 3.2Å; R81-E88 PolarHBondContact NH1-OE1 2.83Å; R81-E88 IonicContact NH2-OE1 3.42Å; R81-E88 PolarHBondContact NH2-OE1 3.19Å
82G97.5Very high97.3Very high44 Ų4462.9 Ų62.945%0.45435%0.352SS..Hα-helixtrans-65.9-45.3175.100000113.1R78 N79 L80 Y84 N85R78-G82 PolarHBondContact O-N 2.88Å; N79-G82 CarbonylContact O-C 3.6Å; N79-G82 WeakPolarHBondContact O-CA 3.34Å; N79-G82 PolarHBondContact O-N 3.31Å; L80-G82 PolarHBondContact O-N 3.25Å; G82-Y84 VanDerWaalsContact C-N 3.27Å; G82-Y84 PolarHBondContact O-N 3.33Å; G82-N85 PolarHBondContact O-N 3.22Å
83Y98.1Very high97.4Very high54 Ų5461.3 Ų61.321%0.21234%0.342CS..Hα-helixtrans-62.1-35.4179-60.9-16.3000112.7N79 L80 I141 K145N79-Y83 WeakPolarHBondContact O-CD1 3.39Å; N79-Y83 PolarHBondContact O-N 3.25Å; L80-Y83 HydrophobicContact CD2-CD2 4.49Å; L80-Y83 PolarHBondContact O-N 3.34Å; Y83-I141 HydrophobicContact CD1-CD1 4.05Å; Y83-I141 HydrophobicContact CE1-CD1 4.36Å; Y83-I141 HydrophobicContact CE1-CG2 3.99Å; Y83-I141 HydrophobicContact CE2-CB 4.28Å; Y83-I141 HydrophobicContact CE2-CG2 4.19Å; Y83-I141 HydrophobicContact CG-CD1 4.18Å; Y83-K145 PolarHBondContact OH-NZ 3.44Å
84Y98.1Very high97.4Very high66 Ų6661.5 Ų61.526%0.25934%0.343SS..THydrogen-bonded Turntrans-92.34.8178.8-69.3-72.3000114.1L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.22Å; L80-Y84 VanDerWaalsContact O-CD2 3.25Å; L80-Y84 WeakPolarHBondContact O-CD2 3.49Å; L80-Y84 PolarHBondContact O-N 3.25Å; G82-Y84 VanDerWaalsContact C-N 3.27Å; G82-Y84 PolarHBondContact O-N 3.33Å; Y84-Q86 PolarHBondContact O-N 2.8Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.48Å; Y84-Y117 HydrophobicContact CD2-CE1 3.48Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.48Å; Y84-Y117 AromaticContact CE2-CD1 3.45Å; Y84-Y117 HydrophobicContact CE2-CD1 3.45Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.45Å; Y84-Y117 AromaticContact CE2-CE1 3.8Å; Y84-Y117 HydrophobicContact CE2-CE1 3.8Å; Y84-Y117 HydrophobicContact CE2-CG 4.47Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Y84-Y122 HydrophobicContact CE2-CD2 4.37Å; Y84-Y122 HydrophobicContact CE2-CE2 4.08Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.21Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.42Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.15Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.32Å; Y84-D136 VanDerWaalsContact OH-CG 3.26Å; Y84-D136 PolarHBondContact OH-OD1 3.36Å; Y84-D136 PolarHBondContact OH-OD2 3.24Å; Y84-A138 HydrophobicContact CD1-CB 4.22Å; Y84-A138 HydrophobicContact CD2-CB 4.41Å; Y84-A138 HydrophobicContact CE1-CB 3.68Å; Y84-A138 HydrophobicContact CE2-CB 3.88Å; Y84-A138 VanDerWaalsContact CZ-CB 3.49Å
85N97.3Very high97.4Very high153 Ų15362.3 Ų62.382%0.81835%0.349SS*.THydrogen-bonded Turntrans51.838.9-177.4-57-61.7000113.6R81 G82R81-N85 PolarHBondContact O-N 2.83Å; R81-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-N 3.22Å
86Q97.6Very high97.4Very high61 Ų6159.7 Ų59.729%0.28533%0.331SS..  trans-88154.3-175.9-71.8165.9-31.900112.4R81 Y84 H92 Y117R81-Q86 HydrophobicContact CG-CB 3.77Å; R81-Q86 WeakPolarHBondContact CG-O 2.8Å; R81-Q86 PolarHBondContact O-N 2.79Å; Y84-Q86 PolarHBondContact O-N 2.8Å; Q86-H92 PolarHBondContact NE2-CE1 3.3Å; Q86-H92 PolarHBondContact OE1-CE1 2.86Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.3Å; Q86-Y117 PolarHBondContact OE1-OH 3.3Å
87S96.1Very high97.5Very high80 Ų8058.9 Ų58.956%0.55932%0.324SS*.  trans-69.7150178.8175.20000112.6A89 G90S87-A89 PolarHBondContact O-N 3.47Å; S87-A89 PolarHBondContact OG-N 2.84Å; S87-G90 PolarHBondContact O-N 3.26Å
88E93.6Very high97.5Very high133 Ų13359.9 Ų59.962%0.62133%0.327SS*.THydrogen-bonded Turntrans-69.2-18.7174-53-151.6127.200113.9P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.17Å; P14-E88 WeakPolarHBondContact CG-O 3.38Å; R81-E88 IonicContact CZ-OE1 2.75Å; R81-E88 VanDerWaalsContact CZ-OE1 3.26Å; R81-E88 IonicContact NH1-OE1 3.2Å; R81-E88 PolarHBondContact NH1-OE1 2.83Å; R81-E88 IonicContact NH2-OE1 3.42Å; R81-E88 PolarHBondContact NH2-OE1 3.19Å; E88-G90 VanDerWaalsContact C-N 3.31Å
89A94.1Very high97.5Very high84 Ų8454.1 Ų54.169%0.69431%0.306SS*.THydrogen-bonded Turntrans-78.3-16.2-179.200000113.2S87S87-A89 PolarHBondContact O-N 3.47Å; S87-A89 PolarHBondContact OG-N 2.84Å
90G94.7Very high97.6Very high27 Ų2750.6 Ų50.628%0.27829%0.287SS..  trans-75.2136.6-178.700000113P14 S87 E88 H92P14-G90 VanDerWaalsContact CG-O 3.23Å; P14-G90 WeakPolarHBondContact CG-O 3.27Å; S87-G90 PolarHBondContact O-N 3.26Å; E88-G90 VanDerWaalsContact C-N 3.31Å; G90-H92 PolarHBondContact O-CD2 3.42Å; G90-H92 VanDerWaalsContact O-CD2 3.25Å
91S97.8Very high97.6Very high75 Ų7551.6 Ų51.652%0.52429%0.292SS..  trans-82134.8163.1179.40000108.8S12S12-S91 WeakPolarHBondContact O-CB 3.43Å; S12-S91 PolarHBondContact O-OG 2.92Å
92H98.6Very high97.6Very high18 Ų1848.7 Ų48.78%0.08328%0.281CS..  trans-134151.2-175.9-64.6-75.5000110.3V11 S12 L77 Q86 G90 Y117 D118V11-H92 WeakPolarHBondContact CA-O 3.2Å; S12-H92 PolarHBondContact N-O 3.33Å; S12-H92 PolarHBondContact OG-N 3.08Å; S12-H92 PolarHBondContact OG-O 2.81Å; L77-H92 HydrophobicContact CD2-CB 4.29Å; Q86-H92 PolarHBondContact NE2-CE1 3.3Å; Q86-H92 PolarHBondContact OE1-CE1 2.86Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.3Å; G90-H92 PolarHBondContact O-CD2 3.42Å; G90-H92 VanDerWaalsContact O-CD2 3.25Å; H92-Y117 HydrophobicContact CB-CE2 3.8Å; H92-Y117 WeakPolarHBondContact CB-OH 3.39Å; H92-Y117 AromaticContact CG-CZ 4Å; H92-Y117 AromaticContact ND1-CZ 3.9Å; H92-Y117 PolarHBondContact ND1-OH 2.87Å; H92-D118 WeakPolarHBondContact CA-OD1 3.33Å; H92-D118 WeakPolarHBondContact CB-OD1 3.19Å; H92-D118 IonicContact CE1-OD2 3.65Å; H92-D118 IonicContact CG-OD1 3.12Å; H92-D118 IonicContact CG-OD2 2.7Å; H92-D118 IonicContact ND1-OD1 3.22Å; H92-D118 IonicContact ND1-OD2 3.26Å; H92-D118 PolarHBondContact ND1-OD2 3.35Å
93T98.8Very high97.6Very high39 Ų3947.1 Ų47.124%0.23927%0.265CS..EExtended strand (participates in β ladder)trans-120.4128.7-176.3-56.80000110.6T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 3.91Å; S10-T93 WeakPolarHBondContact O-CA 3.46Å; V11-T93 HydrophobicContact CG2-CG2 4.29Å; T93-Q95 HydrophobicContact CG2-CG 3.98Å; T93-Y117 CarbonylContact O-C 3.57Å; T93-Y117 WeakPolarHBondContact O-CA 3.4Å; T93-Y117 VanDerWaalsContact O-CD2 3.24Å; T93-Y117 WeakPolarHBondContact O-CD2 3.34Å; T93-D118 PolarHBondContact N-OD1 3.44Å; T93-D118 PolarHBondContact O-N 2.8Å
94L98.9Very high97.3Very high9 Ų950.7 Ų50.75%0.04730%0.295CS..EExtended strand (participates in β ladder)trans-113125.2168.8174.862.3000108.5T9 S10 D73 L77 L80T9-L94 WeakPolarHBondContact CA-O 3.13Å; S10-L94 PolarHBondContact N-O 2.97Å; S10-L94 PolarHBondContact O-N 2.63Å; D73-L94 HydrophobicContact CB-CD2 4.2Å; L77-L94 HydrophobicContact CD2-CB 3.71Å; L77-L94 HydrophobicContact CG-CB 4.13Å; L80-L94 HydrophobicContact CD1-CD1 3.93Å; L80-L94 HydrophobicContact CD1-CD2 4.3Å
95Q98.8Very high97.1Very high80 Ų8052.4 Ų52.437%0.37431%0.309SS..EExtended strand (participates in β ladder)trans-116.8142.9175.9-66.8169.9-84.500109.4S8 T9 T93 S115 A116S8-Q95 WeakPolarHBondContact O-CA 3.47Å; T9-Q95 HydrophobicContact CG2-CG 4.15Å; T93-Q95 HydrophobicContact CG2-CG 3.98Å; Q95-S115 CarbonylContact O-C 3.58Å; Q95-S115 WeakPolarHBondContact O-CA 3.23Å; Q95-A116 HydrophobicContact CB-CB 4.34Å; Q95-A116 PolarHBondContact N-O 3.2Å; Q95-A116 PolarHBondContact O-N 3.02Å
96W98.6Very high96.9Very high20 Ų2046 Ų468%0.07628%0.279CS..EExtended strand (participates in β ladder)trans-138.1129.8175.9179.543000109.3F7 S8 Q69 F98 D113 Q114F7-W96 WeakPolarHBondContact CA-O 3.11Å; S8-W96 PolarHBondContact N-O 3.35Å; S8-W96 PolarHBondContact O-N 2.8Å; Q69-W96 HydrophobicContact CG-CE3 4.28Å; Q69-W96 HydrophobicContact CG-CZ3 4.08Å; W96-F98 AromaticContact CD2-CD1 3.72Å; W96-F98 HydrophobicContact CD2-CD1 3.72Å; W96-F98 HydrophobicContact CD2-CE1 4.17Å; W96-F98 AromaticContact CE2-CD1 3.46Å; W96-F98 VanDerWaalsContact CE2-CD1 3.46Å; W96-F98 AromaticContact CE3-CD1 3.89Å; W96-F98 HydrophobicContact CE3-CD1 3.89Å; W96-F98 AromaticContact CE3-CE1 3.83Å; W96-F98 HydrophobicContact CE3-CE1 3.83Å; W96-F98 HydrophobicContact CG-CD1 4.49Å; W96-F98 AromaticContact CH2-CD1 3.55Å; W96-F98 HydrophobicContact CH2-CD1 3.55Å; W96-F98 AromaticContact CH2-CE1 3.47Å; W96-F98 HydrophobicContact CH2-CE1 3.47Å; W96-F98 VanDerWaalsContact CH2-CE1 3.47Å; W96-F98 HydrophobicContact CH2-CG 4.24Å; W96-F98 HydrophobicContact CH2-CZ 4.12Å; W96-F98 HydrophobicContact CZ2-CB 4.2Å; W96-F98 AromaticContact CZ2-CD1 3.38Å; W96-F98 HydrophobicContact CZ2-CD1 3.38Å; W96-F98 AromaticContact CZ2-CE1 3.85Å; W96-F98 HydrophobicContact CZ2-CE1 3.85Å; W96-F98 AromaticContact CZ2-CG 3.83Å; W96-F98 HydrophobicContact CZ2-CG 3.83Å; W96-F98 AromaticContact CZ3-CD1 3.81Å; W96-F98 HydrophobicContact CZ3-CD1 3.81Å; W96-F98 AromaticContact CZ3-CE1 3.48Å; W96-F98 HydrophobicContact CZ3-CE1 3.48Å; W96-F98 VanDerWaalsContact CZ3-CE1 3.48Å; W96-F98 HydrophobicContact CZ3-CZ 4.34Å; W96-D113 PolarHBondContact NE1-OD1 2.91Å; W96-Q114 WeakPolarHBondContact CA-O 3.46Å; W96-Q114 VanDerWaalsContact CD1-O 3.31Å
97M98.7Very high96.8Very high21 Ų2151.3 Ų51.310%0.10330%0.296CS..EExtended strand (participates in β ladder)trans-124.2129.5174.4-175.3-79-74.100108.8Y6 F7 Y112 D113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.19Å; F7-M97 HydrophobicContact CD1-CB 4.02Å; F7-M97 HydrophobicContact CD1-CG 3.59Å; F7-M97 HydrophobicContact CE1-CB 4.26Å; F7-M97 HydrophobicContact CE1-CG 3.42Å; F7-M97 VanDerWaalsContact CE1-CG 3.42Å; F7-M97 HydrophobicContact CG-CG 4.42Å; F7-M97 HydrophobicContact CZ-CG 4.13Å; M97-Y112 HydrophobicContact CE-CD1 4.24Å; M97-Y112 HydrophobicContact CE-CG 4.27Å; M97-D113 WeakPolarHBondContact O-CA 3.2Å; M97-Q114 HydrophobicContact CB-CG 4.25Å; M97-Q114 VanDerWaalsContact CE-CD 3.47Å; M97-Q114 HydrophobicContact CE-CG 3.83Å; M97-Q114 PolarHBondContact N-O 3.08Å; M97-Q114 PolarHBondContact O-N 2.71Å
98F98.6Very high96.9Very high30 Ų3050.1 Ų50.113%0.13228%0.283CS..EExtended strand (participates in β ladder)trans-144.615717368.4-84.5000110.7Y6 W96 Y112 D113 Y158Y6-F98 HydrophobicContact CD2-CD2 4.43Å; Y6-F98 AromaticContact CD2-CE2 3.69Å; Y6-F98 HydrophobicContact CD2-CE2 3.69Å; Y6-F98 AromaticContact CD2-CZ 3.83Å; Y6-F98 HydrophobicContact CD2-CZ 3.83Å; Y6-F98 HydrophobicContact CE2-CE2 4.46Å; Y6-F98 HydrophobicContact CG-CE1 4.28Å; Y6-F98 HydrophobicContact CG-CE2 4.09Å; Y6-F98 AromaticContact CG-CZ 3.74Å; Y6-F98 HydrophobicContact CG-CZ 3.74Å; Y6-F98 PolarHBondContact N-O 2.96Å; Y6-F98 PolarHBondContact O-N 3.36Å; Y6-F98 VanDerWaalsContact O-N 3.14Å; W96-F98 AromaticContact CD2-CD1 3.72Å; W96-F98 HydrophobicContact CD2-CD1 3.72Å; W96-F98 HydrophobicContact CD2-CE1 4.17Å; W96-F98 AromaticContact CE2-CD1 3.46Å; W96-F98 VanDerWaalsContact CE2-CD1 3.46Å; W96-F98 AromaticContact CE3-CD1 3.89Å; W96-F98 HydrophobicContact CE3-CD1 3.89Å; W96-F98 AromaticContact CE3-CE1 3.83Å; W96-F98 HydrophobicContact CE3-CE1 3.83Å; W96-F98 HydrophobicContact CG-CD1 4.49Å; W96-F98 AromaticContact CH2-CD1 3.55Å; W96-F98 HydrophobicContact CH2-CD1 3.55Å; W96-F98 AromaticContact CH2-CE1 3.47Å; W96-F98 HydrophobicContact CH2-CE1 3.47Å; W96-F98 VanDerWaalsContact CH2-CE1 3.47Å; W96-F98 HydrophobicContact CH2-CG 4.24Å; W96-F98 HydrophobicContact CH2-CZ 4.12Å; W96-F98 HydrophobicContact CZ2-CB 4.2Å; W96-F98 AromaticContact CZ2-CD1 3.38Å; W96-F98 HydrophobicContact CZ2-CD1 3.38Å; W96-F98 AromaticContact CZ2-CE1 3.85Å; W96-F98 HydrophobicContact CZ2-CE1 3.85Å; W96-F98 AromaticContact CZ2-CG 3.83Å; W96-F98 HydrophobicContact CZ2-CG 3.83Å; W96-F98 AromaticContact CZ3-CD1 3.81Å; W96-F98 HydrophobicContact CZ3-CD1 3.81Å; W96-F98 AromaticContact CZ3-CE1 3.48Å; W96-F98 HydrophobicContact CZ3-CE1 3.48Å; W96-F98 VanDerWaalsContact CZ3-CE1 3.48Å; W96-F98 HydrophobicContact CZ3-CZ 4.34Å; F98-Y112 CarbonylContact C-O 3.58Å; F98-Y112 WeakPolarHBondContact CA-O 3.29Å; F98-Y112 VanDerWaalsContact CB-O 3.29Å; F98-Y112 WeakPolarHBondContact CB-O 3.23Å; F98-D113 HydrophobicContact CB-CB 4.29Å; F98-Y158 AromaticContact CD2-CE1 3.75Å; F98-Y158 HydrophobicContact CD2-CE1 3.75Å; F98-Y158 AromaticContact CE2-CE1 3.72Å; F98-Y158 HydrophobicContact CE2-CE1 3.72Å; F98-Y158 AromaticContact CE2-CZ 3.89Å
99G98.6Very high97.1Very high0 Ų050 Ų500%029%0.286CS..EExtended strand (participates in β ladder)trans160.6-175-178.300000114.1M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.57Å; M4-G99 WeakPolarHBondContact O-CA 3.37Å; G99-G111 CarbonylContact O-C 3.57Å; G99-G111 WeakPolarHBondContact O-CA 3.4Å; G99-Y112 PolarHBondContact N-O 3.45Å; G99-Y112 PolarHBondContact O-N 2.94Å; G99-L159 WeakPolarHBondContact O-CD2 3.17Å
100C98.8Very high97.2Very high0 Ų050.3 Ų50.30%027%0.269CS..EExtended strand (participates in β ladder)trans-136.2147.7-174.853.10000111.3S3 M4 L108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.4Å; M4-C100 PolarHBondContact N-O 2.92Å; M4-C100 PolarHBondContact O-N 2.91Å; C100-L108 HydrophobicContact CB-CD1 3.59Å; C100-R110 CarbonylContact C-O 3.58Å; C100-R110 WeakPolarHBondContact CA-O 3.43Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.32Å; C100-C163 PolarHBondContact N-SG 2.93Å; C100-C163 WeakPolarHBondContact SG-CB 3.39Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.48Å
101D98.6Very high97.4Very high25 Ų2549.3 Ų49.313%0.13426%0.259CS..EExtended strand (participates in β ladder)trans-109.8136.2171.3-60.5-12.8000109.1H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.58Å; H2-D101 WeakPolarHBondContact O-CA 3.36Å; S3-D101 WeakPolarHBondContact CB-OD1 3.49Å; R5-D101 IonicContact CZ-OD1 2.7Å; R5-D101 IonicContact NE-OD1 2.72Å; R5-D101 PolarHBondContact NE-OD1 3.2Å; R5-D101 IonicContact NH2-OD1 3.41Å; R5-D101 PolarHBondContact NH2-OD1 3.27Å; R5-D101 IonicContact NH2-OD2 2.78Å; R5-D101 PolarHBondContact NH2-OD2 2.81Å; D101-L109 HydrophobicContact CB-CB 4.39Å; D101-L109 PolarHBondContact O-N 2.87Å; D101-R110 HydrophobicContact CB-CB 4.47Å; D101-R110 PolarHBondContact N-O 2.89Å; D101-R110 PolarHBondContact O-N 2.82Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.42Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.29Å; D101-Y112 PolarHBondContact OD2-OH 3.4Å
102L98.3Very high97.4Very high3 Ų347.5 Ų47.52%0.01624%0.241CC..EExtended strand (participates in β ladder)trans-109.5136.4174.5-54.8-176.6000111.2S1 H2 R107 V164 L167 R168S1-L102 WeakPolarHBondContact CA-O 3.24Å; S1-L102 WeakPolarHBondContact CB-O 3.31Å; H2-L102 PolarHBondContact N-O 3.17Å; H2-L102 VanDerWaalsContact N-O 3.12Å; H2-L102 PolarHBondContact O-N 3.06Å; L102-R107 CarbonylContact C-O 3.5Å; L102-R107 VanDerWaalsContact CA-O 3.26Å; L102-R107 WeakPolarHBondContact CA-O 3.47Å; L102-V164 HydrophobicContact CD1-CG1 4.43Å; L102-V164 HydrophobicContact CD2-CB 4.2Å; L102-V164 HydrophobicContact CD2-CG1 3.82Å; L102-V164 HydrophobicContact CD2-CG2 3.84Å; L102-L167 HydrophobicContact CD1-CB 4.22Å; L102-L167 HydrophobicContact CD1-CD2 3.67Å; L102-L167 HydrophobicContact CD1-CG 3.74Å; L102-L167 HydrophobicContact CG-CD2 3.59Å; L102-L167 HydrophobicContact CG-CG 4.24Å; L102-R168 HydrophobicContact CD1-CG 3.96Å
103G96.3Very high97.4Very high11 Ų1146.8 Ų46.811%0.11324%0.237CC..  trans-67.1172.216700000112.3D105 G106 R107G103-D105 PolarHBondContact O-N 2.89Å; G103-G106 WeakPolarHBondContact O-CA 3.3Å; G103-G106 PolarHBondContact O-N 2.84Å; G103-R107 PolarHBondContact N-O 2.88Å
104P92.8Very high97.4Very high130 Ų13048.6 Ų48.684%0.84424%0.243SC*.THydrogen-bonded Turntrans-59.1-25.2175.3-23.134000114G106P104-G106 PolarHBondContact O-N 3.02Å
105D93.4Very high97.4Very high101 Ų10148.9 Ų48.954%0.5425%0.246SC..THydrogen-bonded Turntrans-79.62.6174.269.1-15000113.2G103 R107G103-D105 PolarHBondContact O-N 2.89Å; D105-R107 PolarHBondContact O-N 2.97Å; D105-R107 WeakPolarHBondContact OD1-CB 3.15Å; D105-R107 PolarHBondContact OD1-N 2.87Å; D105-R107 WeakPolarHBondContact OD2-CD 3.34Å; D105-R107 WeakPolarHBondContact OD2-CG 3.46Å; D105-R107 IonicContact OD2-NE 2.79Å
106G92.5Very high97.4Very high18 Ų1845.8 Ų45.819%0.18623%0.234CC..SBendtrans72.28.6-178.600000114G103 P104 R168G103-G106 WeakPolarHBondContact O-CA 3.3Å; G103-G106 PolarHBondContact O-N 2.84Å; P104-G106 PolarHBondContact O-N 3.02Å; G106-R168 VanDerWaalsContact O-CZ 3.27Å; G106-R168 PolarHBondContact O-NE 2.84Å; G106-R168 PolarHBondContact O-NH2 3.1Å
107R96Very high97.4Very high174 Ų17445.3 Ų45.366%0.65723%0.232SC*.  trans-86.5153.5177.8-63.6-173.1-178.7161.9-3.1111.2L102 G103 D105 L109L102-R107 CarbonylContact C-O 3.5Å; L102-R107 VanDerWaalsContact CA-O 3.26Å; L102-R107 WeakPolarHBondContact CA-O 3.47Å; G103-R107 PolarHBondContact N-O 2.88Å; D105-R107 PolarHBondContact O-N 2.97Å; D105-R107 WeakPolarHBondContact OD1-CB 3.15Å; D105-R107 PolarHBondContact OD1-N 2.87Å; D105-R107 WeakPolarHBondContact OD2-CD 3.34Å; D105-R107 WeakPolarHBondContact OD2-CG 3.46Å; D105-R107 IonicContact OD2-NE 2.79Å; R107-L109 PolarHBondContact O-N 2.81Å; R107-L109 VanDerWaalsContact O-N 3.15Å
108L98Very high97.4Very high54 Ų5447.5 Ų47.528%0.28324%0.244SC..EExtended strand (participates in β ladder)trans-58.8118.6175.3-176.671.5000109.6C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.59Å; L108-R110 WeakPolarHBondContact CD1-O 3.49Å; L108-L129 HydrophobicContact CD2-CD1 4.27Å; L108-E160 HydrophobicContact CD2-CB 4.41Å; L108-E160 HydrophobicContact CD2-CG 3.69Å; L108-V164 HydrophobicContact CB-CG2 4.03Å; L108-V164 HydrophobicContact CD1-CG2 4.02Å
109L97.7Very high97.4Very high130 Ų13048.9 Ų48.968%0.68127%0.267SS*.EExtended strand (participates in β ladder)trans-89.1-45.5170.8-174.376000109.9D101 R107D101-L109 HydrophobicContact CB-CB 4.39Å; D101-L109 PolarHBondContact O-N 2.87Å; R107-L109 PolarHBondContact O-N 2.81Å; R107-L109 VanDerWaalsContact O-N 3.15Å
110R97.8Very high97.4Very high92 Ų9256.4 Ų56.435%0.34730%0.299SS..EExtended strand (participates in β ladder)trans-157144.4-175.8-174.5163.4173.4141.18.9111.9C100 D101 L108 Y112 E127C100-R110 CarbonylContact C-O 3.58Å; C100-R110 WeakPolarHBondContact CA-O 3.43Å; D101-R110 HydrophobicContact CB-CB 4.47Å; D101-R110 PolarHBondContact N-O 2.89Å; D101-R110 PolarHBondContact O-N 2.82Å; L108-R110 WeakPolarHBondContact CD1-O 3.49Å; R110-Y112 HydrophobicContact CB-CE2 4.09Å; R110-Y112 VanDerWaalsContact CD-CZ 3.46Å; R110-Y112 VanDerWaalsContact CD-OH 3.27Å; R110-Y112 WeakPolarHBondContact CD-OH 3.48Å; R110-Y112 HydrophobicContact CG-CD2 4.4Å; R110-Y112 HydrophobicContact CG-CE1 4.13Å; R110-Y112 HydrophobicContact CG-CE2 3.74Å; R110-E127 IonicContact CZ-OE1 3.51Å; R110-E127 IonicContact NH1-OE1 3.01Å; R110-E127 PolarHBondContact NH1-OE1 3.48Å; R110-E127 IonicContact NH1-OE2 3.67Å; R110-E127 VanDerWaalsContact NH2-CD 3.31Å; R110-E127 IonicContact NH2-OE1 3.75Å; R110-E127 PolarHBondContact NH2-OE1 2.91Å
111G98.4Very high97.4Very high5 Ų562.4 Ų62.45%0.05233%0.332CS..EExtended strand (participates in β ladder)trans-112.7153.2169.300000111.4G99G99-G111 CarbonylContact O-C 3.57Å; G99-G111 WeakPolarHBondContact O-CA 3.4Å
112Y98.5Very high97.4Very high38 Ų3861.7 Ų61.715%0.14933%0.327CS..EExtended strand (participates in β ladder)trans-133.4140.3-179.9-54.6-97.6000110R5 M97 F98 G99 D101 R110R5-Y112 PolarHBondContact NH2-OH 2.75Å; M97-Y112 HydrophobicContact CE-CD1 4.24Å; M97-Y112 HydrophobicContact CE-CG 4.27Å; F98-Y112 CarbonylContact C-O 3.58Å; F98-Y112 WeakPolarHBondContact CA-O 3.29Å; F98-Y112 VanDerWaalsContact CB-O 3.29Å; F98-Y112 WeakPolarHBondContact CB-O 3.23Å; G99-Y112 PolarHBondContact N-O 3.45Å; G99-Y112 PolarHBondContact O-N 2.94Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.42Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.29Å; D101-Y112 PolarHBondContact OD2-OH 3.4Å; R110-Y112 HydrophobicContact CB-CE2 4.09Å; R110-Y112 VanDerWaalsContact CD-CZ 3.46Å; R110-Y112 VanDerWaalsContact CD-OH 3.27Å; R110-Y112 WeakPolarHBondContact CD-OH 3.48Å; R110-Y112 HydrophobicContact CG-CD2 4.4Å; R110-Y112 HydrophobicContact CG-CE1 4.13Å; R110-Y112 HydrophobicContact CG-CE2 3.74Å
113D98.6Very high97.4Very high3 Ų361.8 Ų61.82%0.01633%0.328CS..EExtended strand (participates in β ladder)trans-153.7106164.9-172.6-40.9000107.1W96 M97 F98 L125 R155W96-D113 PolarHBondContact NE1-OD1 2.91Å; M97-D113 WeakPolarHBondContact O-CA 3.2Å; F98-D113 HydrophobicContact CB-CB 4.29Å; D113-L125 HydrophobicContact CB-CB 3.93Å; D113-L125 HydrophobicContact CB-CD2 4.14Å; D113-L125 WeakPolarHBondContact O-CB 3.06Å; D113-L125 PolarHBondContact O-N 2.71Å; D113-R155 WeakPolarHBondContact OD2-CD 3.44Å; D113-R155 WeakPolarHBondContact OD2-CG 3.48Å; D113-R155 IonicContact OD2-CZ 3.94Å; D113-R155 IonicContact OD2-NE 3.72Å; D113-R155 PolarHBondContact OD2-NE 3.43Å; D113-R155 IonicContact OD2-NH1 3.07Å
114Q98.7Very high97.6Very high77 Ų7762.7 Ų62.736%0.3633%0.334SS..EExtended strand (participates in β ladder)trans-144.6141-174.964.2-170.747.600111.8W96 M97 I123 A124W96-Q114 WeakPolarHBondContact CA-O 3.46Å; W96-Q114 VanDerWaalsContact CD1-O 3.31Å; M97-Q114 HydrophobicContact CB-CG 4.25Å; M97-Q114 VanDerWaalsContact CE-CD 3.47Å; M97-Q114 HydrophobicContact CE-CG 3.83Å; M97-Q114 PolarHBondContact N-O 3.08Å; M97-Q114 PolarHBondContact O-N 2.71Å; Q114-I123 WeakPolarHBondContact CA-O 3.44Å; Q114-A124 HydrophobicContact CB-CB 3.8Å
115S98.7Very high97.8Very high15 Ų1557 Ų5711%0.10530%0.297CS..EExtended strand (participates in β ladder)trans-121.8147.2-179.4-56.10000111.3Q95 Y122 I123Q95-S115 CarbonylContact O-C 3.58Å; Q95-S115 WeakPolarHBondContact O-CA 3.23Å; S115-Y122 WeakPolarHBondContact O-CB 3.32Å; S115-Y122 PolarHBondContact O-N 3.04Å; S115-I123 PolarHBondContact N-O 3.44Å; S115-I123 PolarHBondContact O-N 3.24Å
116A98.9Very high98.1Very high14 Ų1454.3 Ų54.312%0.11628%0.282CS..EExtended strand (participates in β ladder)trans-127145.3173.900000110.7Q95 K120Q95-A116 HydrophobicContact CB-CB 4.34Å; Q95-A116 PolarHBondContact N-O 3.2Å; Q95-A116 PolarHBondContact O-N 3.02Å; A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.38Å; A116-K120 WeakPolarHBondContact CB-O 3.39Å
117Y98.8Very high98.3Very high11 Ų1159.7 Ų59.74%0.04330%0.302CS..EExtended strand (participates in β ladder)trans-123.4127.2177.2-174.4-122000110.2L77 L80 Y84 Q86 H92 T93 G119 K120L77-Y117 HydrophobicContact CD2-CE2 3.98Å; L80-Y117 HydrophobicContact CB-CD1 4.37Å; L80-Y117 HydrophobicContact CB-CD2 4.22Å; L80-Y117 HydrophobicContact CB-CE1 4Å; L80-Y117 HydrophobicContact CB-CE2 3.87Å; L80-Y117 HydrophobicContact CB-CG 4.45Å; L80-Y117 HydrophobicContact CD1-CD2 3.61Å; L80-Y117 HydrophobicContact CD1-CE2 3.93Å; L80-Y117 HydrophobicContact CD1-CG 4.07Å; L80-Y117 HydrophobicContact CD2-CG 4.43Å; L80-Y117 HydrophobicContact CG-CD2 4.39Å; L80-Y117 HydrophobicContact CG-CE2 4.48Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.48Å; Y84-Y117 HydrophobicContact CD2-CE1 3.48Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.48Å; Y84-Y117 AromaticContact CE2-CD1 3.45Å; Y84-Y117 HydrophobicContact CE2-CD1 3.45Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.45Å; Y84-Y117 AromaticContact CE2-CE1 3.8Å; Y84-Y117 HydrophobicContact CE2-CE1 3.8Å; Y84-Y117 HydrophobicContact CE2-CG 4.47Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Q86-Y117 PolarHBondContact OE1-OH 3.3Å; H92-Y117 HydrophobicContact CB-CE2 3.8Å; H92-Y117 WeakPolarHBondContact CB-OH 3.39Å; H92-Y117 AromaticContact CG-CZ 4Å; H92-Y117 AromaticContact ND1-CZ 3.9Å; H92-Y117 PolarHBondContact ND1-OH 2.87Å; T93-Y117 CarbonylContact O-C 3.57Å; T93-Y117 WeakPolarHBondContact O-CA 3.4Å; T93-Y117 VanDerWaalsContact O-CD2 3.24Å; T93-Y117 WeakPolarHBondContact O-CD2 3.34Å; Y117-G119 PolarHBondContact O-N 2.89Å; Y117-K120 PolarHBondContact N-O 3.19Å; Y117-K120 PolarHBondContact O-N 3.14Å; Y117-K120 VanDerWaalsContact O-N 3.08Å
118D98.4Very high98.4Very high66 Ų6655 Ų5535%0.35329%0.29SS..THydrogen-bonded Turntrans49.140.4-174.7-66.3-22.2000113.3H92 T93 K120H92-D118 WeakPolarHBondContact CA-OD1 3.33Å; H92-D118 WeakPolarHBondContact CB-OD1 3.19Å; H92-D118 IonicContact CE1-OD2 3.65Å; H92-D118 IonicContact CG-OD1 3.12Å; H92-D118 IonicContact CG-OD2 2.7Å; H92-D118 IonicContact ND1-OD1 3.22Å; H92-D118 IonicContact ND1-OD2 3.26Å; H92-D118 PolarHBondContact ND1-OD2 3.35Å; T93-D118 PolarHBondContact N-OD1 3.44Å; T93-D118 PolarHBondContact O-N 2.8Å; D118-K120 VanDerWaalsContact C-N 3.33Å; D118-K120 PolarHBondContact O-N 3.38Å
119G97.9Very high98.4Very high59 Ų5952.9 Ų52.961%0.60828%0.279SS*.THydrogen-bonded Turntrans78.77.7177.200000115.3Y117Y117-G119 PolarHBondContact O-N 2.89Å
120K98.6Very high98.4Very high158 Ų15854.7 Ų54.769%0.68728%0.277SS*.EExtended strand (participates in β ladder)trans-115.1144.6176.2-62-178.2-177.8179.50110.8A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.38Å; A116-K120 WeakPolarHBondContact CB-O 3.39Å; Y117-K120 PolarHBondContact N-O 3.19Å; Y117-K120 PolarHBondContact O-N 3.14Å; Y117-K120 VanDerWaalsContact O-N 3.08Å; D118-K120 VanDerWaalsContact C-N 3.33Å; D118-K120 PolarHBondContact O-N 3.38Å; K120-Y122 PolarHBondContact O-N 3.5Å
121D98.8Very high98.5Very high127 Ų12752.3 Ų52.368%0.67927%0.274SS*.EExtended strand (participates in β ladder)trans-52.1135.1173.3-68.5-27.6000110.5A135D121-A135 HydrophobicContact CB-CB 4.44Å; D121-A135 WeakPolarHBondContact O-CB 3.42Å
122Y98.8Very high98.5Very high10 Ų1052.6 Ų52.64%0.03927%0.274CS..EExtended strand (participates in β ladder)trans-113.1-61.5179.4179.5-107.6000110.2L80 Y84 S115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.39Å; L80-Y122 HydrophobicContact CD2-CD2 3.98Å; L80-Y122 HydrophobicContact CD2-CE1 3.85Å; L80-Y122 HydrophobicContact CD2-CE2 3.36Å; L80-Y122 HydrophobicContact CD2-CG 4.45Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.33Å; Y84-Y122 HydrophobicContact CE2-CD2 4.37Å; Y84-Y122 HydrophobicContact CE2-CE2 4.08Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.21Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.42Å; S115-Y122 WeakPolarHBondContact O-CB 3.32Å; S115-Y122 PolarHBondContact O-N 3.04Å; K120-Y122 PolarHBondContact O-N 3.5Å; Y122-A135 WeakPolarHBondContact O-CB 3.35Å; Y122-A135 PolarHBondContact O-N 2.62Å; Y122-A138 HydrophobicContact CE2-CB 4.44Å; Y122-A138 PolarHBondContact OH-O 2.65Å; Y122-A139 HydrophobicContact CD2-CB 3.85Å; Y122-A139 HydrophobicContact CE1-CB 4.38Å; Y122-A139 HydrophobicContact CE2-CB 3.7Å; Y122-A139 HydrophobicContact CG-CB 4.26Å; Y122-A139 WeakPolarHBondContact O-CB 3.47Å; Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 PolarHBondContact OH-OG1 3.14Å
123I98.8Very high98.5Very high5 Ų554.5 Ų54.53%0.02629%0.289CS..EExtended strand (participates in β ladder)trans-151.4141.1179.4-161.6170.7000110.5Q114 S115 W132 T133 T142 Q143 W146Q114-I123 WeakPolarHBondContact CA-O 3.44Å; S115-I123 PolarHBondContact N-O 3.44Å; S115-I123 PolarHBondContact O-N 3.24Å; I123-W132 HydrophobicContact CD1-CB 4.24Å; I123-W132 HydrophobicContact CD1-CD2 4.47Å; I123-W132 HydrophobicContact CD1-CE3 4.31Å; I123-W132 HydrophobicContact CD1-CG 4.46Å; I123-W132 HydrophobicContact CG1-CB 4.29Å; I123-W132 HydrophobicContact CG1-CE3 4.11Å; I123-T133 WeakPolarHBondContact CA-O 3.45Å; I123-T142 HydrophobicContact CD1-CG2 4.07Å; I123-Q143 HydrophobicContact CD1-CB 3.93Å; I123-W146 HydrophobicContact CD1-CE3 3.96Å; I123-W146 HydrophobicContact CD1-CZ3 4.16Å; I123-W146 HydrophobicContact CG2-CE3 4.44Å; I123-W146 HydrophobicContact CG2-CH2 3.91Å; I123-W146 HydrophobicContact CG2-CZ3 3.61Å
124A98.8Very high98.5Very high29 Ų2955.4 Ų55.424%0.2430%0.297CS..EExtended strand (participates in β ladder)trans-134.7139.3178.700000111.6Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.8Å; A124-W132 CarbonylContact O-C 3.54Å; A124-W132 WeakPolarHBondContact O-CA 3.38Å; A124-T133 PolarHBondContact N-O 2.91Å; A124-T133 PolarHBondContact O-N 3.37Å
125L98.8Very high98.5Very high12 Ų1254.5 Ų54.56%0.06330%0.303CS..EExtended strand (participates in β ladder)trans-71.8126.9168-174.267.6000108.2D113 L129 W132 A152 R155 L159D113-L125 HydrophobicContact CB-CB 3.93Å; D113-L125 HydrophobicContact CB-CD2 4.14Å; D113-L125 WeakPolarHBondContact O-CB 3.06Å; D113-L125 PolarHBondContact O-N 2.71Å; L125-L129 HydrophobicContact CD2-CB 4.39Å; L125-L129 HydrophobicContact CD2-CD2 3.79Å; L125-L129 HydrophobicContact CG-CD2 4.34Å; L125-W132 HydrophobicContact CB-CE3 3.93Å; L125-W132 HydrophobicContact CB-CH2 4.04Å; L125-W132 HydrophobicContact CB-CZ3 3.57Å; L125-W132 HydrophobicContact CD1-CD2 4.11Å; L125-W132 HydrophobicContact CD1-CE3 4.22Å; L125-W132 HydrophobicContact CD1-CH2 3.98Å; L125-W132 HydrophobicContact CD1-CZ2 3.87Å; L125-W132 HydrophobicContact CD1-CZ3 4.14Å; L125-W132 HydrophobicContact CG-CH2 4.49Å; L125-W132 HydrophobicContact CG-CZ3 4.43Å; L125-A152 HydrophobicContact CD1-CB 3.9Å; L125-R155 HydrophobicContact CD2-CB 3.95Å; L125-L159 HydrophobicContact CD2-CD1 3.99Å
126N98.7Very high98.5Very high43 Ų4356.4 Ų56.423%0.2331%0.312CS..  trans-70.4163.3179.6-67.3-29.3000111.1D128 L129 S131 T133N126-D128 PolarHBondContact O-N 3.43Å; N126-L129 WeakPolarHBondContact O-CA 3.37Å; N126-L129 PolarHBondContact O-N 2.7Å; N126-S131 WeakPolarHBondContact CB-O 3.4Å; N126-S131 WeakPolarHBondContact CB-OG 3.36Å; N126-S131 PolarHBondContact N-O 3.25Å; N126-S131 PolarHBondContact ND2-OG 3.22Å; N126-T133 PolarHBondContact ND2-OG1 2.88Å; N126-T133 WeakPolarHBondContact OD1-CB 3.37Å; N126-T133 PolarHBondContact OD1-OG1 3.2Å
127E97.8Very high98.5Very high132 Ų13260.9 Ų60.962%0.61734%0.338SS*.THydrogen-bonded Turntrans-58.5-23.1-179.4-67.7178.2-156.100113.9R110 L129R110-E127 IonicContact CZ-OE1 3.51Å; R110-E127 IonicContact NH1-OE1 3.01Å; R110-E127 PolarHBondContact NH1-OE1 3.48Å; R110-E127 IonicContact NH1-OE2 3.67Å; R110-E127 VanDerWaalsContact NH2-CD 3.31Å; R110-E127 IonicContact NH2-OE1 3.75Å; R110-E127 PolarHBondContact NH2-OE1 2.91Å; E127-L129 PolarHBondContact O-N 2.79Å
128D97.8Very high98.4Very high76 Ų7660.6 Ų60.641%0.40634%0.338SS..THydrogen-bonded Turntrans-69.8-9.2174.569.83.2000113.8N126 R130 S131N126-D128 PolarHBondContact O-N 3.43Å; D128-R130 WeakPolarHBondContact O-CG 3.4Å; D128-R130 PolarHBondContact O-N 2.81Å; D128-R130 PolarHBondContact OD1-N 3.45Å; D128-S131 VanDerWaalsContact CG-OG 3.25Å; D128-S131 PolarHBondContact OD1-N 3.43Å; D128-S131 PolarHBondContact OD1-OG 2.83Å; D128-S131 WeakPolarHBondContact OD2-CB 3.27Å; D128-S131 PolarHBondContact OD2-OG 2.87Å
129L98.2Very high98.4Very high9 Ų957.4 Ų57.45%0.04732%0.321CS..SBendtrans53.928.3-175-52.8-178.4000113.5L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.27Å; L125-L129 HydrophobicContact CD2-CB 4.39Å; L125-L129 HydrophobicContact CD2-CD2 3.79Å; L125-L129 HydrophobicContact CG-CD2 4.34Å; N126-L129 WeakPolarHBondContact O-CA 3.37Å; N126-L129 PolarHBondContact O-N 2.7Å; E127-L129 PolarHBondContact O-N 2.79Å; L129-R156 HydrophobicContact CB-CB 4.06Å; L129-R156 HydrophobicContact CB-CG 3.87Å; L129-R156 HydrophobicContact CD1-CG 4.22Å; L129-L159 HydrophobicContact CD1-CB 4.48Å; L129-L159 HydrophobicContact CD2-CD1 3.93Å; L129-E160 HydrophobicContact CD1-CG 4.28Å
130R97.8Very high98.5Very high168 Ų16858.2 Ų58.263%0.63431%0.309SS*.SBendtrans-135.3-31.4-173.3-71.3169.5-175-112.111.3112.9D128 A152D128-R130 WeakPolarHBondContact O-CG 3.4Å; D128-R130 PolarHBondContact O-N 2.81Å; D128-R130 PolarHBondContact OD1-N 3.45Å; R130-A152 WeakPolarHBondContact O-CB 3.41Å
131S98.1Very high98.5Very high41 Ų4153.6 Ų53.629%0.28729%0.291SS..  trans-117.3162.5-177.463.70000111.8N126 D128N126-S131 WeakPolarHBondContact CB-O 3.4Å; N126-S131 WeakPolarHBondContact CB-OG 3.36Å; N126-S131 PolarHBondContact N-O 3.25Å; N126-S131 PolarHBondContact ND2-OG 3.22Å; D128-S131 VanDerWaalsContact CG-OG 3.25Å; D128-S131 PolarHBondContact OD1-N 3.43Å; D128-S131 PolarHBondContact OD1-OG 2.83Å; D128-S131 WeakPolarHBondContact OD2-CB 3.27Å; D128-S131 PolarHBondContact OD2-OG 2.87Å
132W98.8Very high98.4Very high11 Ų1148.3 Ų48.34%0.04226%0.263CS..EExtended strand (participates in β ladder)trans-118.6145.3-177.9-59.892.8000110.8I123 A124 L125 Q143 W146 E151 A152 R155I123-W132 HydrophobicContact CD1-CB 4.24Å; I123-W132 HydrophobicContact CD1-CD2 4.47Å; I123-W132 HydrophobicContact CD1-CE3 4.31Å; I123-W132 HydrophobicContact CD1-CG 4.46Å; I123-W132 HydrophobicContact CG1-CB 4.29Å; I123-W132 HydrophobicContact CG1-CE3 4.11Å; A124-W132 CarbonylContact O-C 3.54Å; A124-W132 WeakPolarHBondContact O-CA 3.38Å; L125-W132 HydrophobicContact CB-CE3 3.93Å; L125-W132 HydrophobicContact CB-CH2 4.04Å; L125-W132 HydrophobicContact CB-CZ3 3.57Å; L125-W132 HydrophobicContact CD1-CD2 4.11Å; L125-W132 HydrophobicContact CD1-CE3 4.22Å; L125-W132 HydrophobicContact CD1-CH2 3.98Å; L125-W132 HydrophobicContact CD1-CZ2 3.87Å; L125-W132 HydrophobicContact CD1-CZ3 4.14Å; L125-W132 HydrophobicContact CG-CH2 4.49Å; L125-W132 HydrophobicContact CG-CZ3 4.43Å; W132-Q143 HydrophobicContact CB-CG 4.16Å; W132-Q143 PolarHBondContact O-NE2 3.35Å; W132-W146 AromaticContact CD2-CE3 3.81Å; W132-W146 HydrophobicContact CD2-CE3 3.81Å; W132-W146 HydrophobicContact CD2-CZ3 4.31Å; W132-W146 AromaticContact CE2-CE3 3.68Å; W132-W146 AromaticContact CE3-CE3 3.71Å; W132-W146 HydrophobicContact CE3-CE3 3.71Å; W132-W146 AromaticContact CE3-CZ3 3.72Å; W132-W146 HydrophobicContact CE3-CZ3 3.72Å; W132-W146 HydrophobicContact CH2-CD2 4.5Å; W132-W146 AromaticContact CH2-CE3 3.41Å; W132-W146 HydrophobicContact CH2-CE3 3.41Å; W132-W146 VanDerWaalsContact CH2-CE3 3.41Å; W132-W146 HydrophobicContact CH2-CH2 4.43Å; W132-W146 AromaticContact CH2-CZ3 3.38Å; W132-W146 HydrophobicContact CH2-CZ3 3.38Å; W132-W146 HydrophobicContact CZ2-CD2 4.34Å; W132-W146 AromaticContact CZ2-CE3 3.49Å; W132-W146 HydrophobicContact CZ2-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.49Å; W132-W146 AromaticContact CZ2-CZ3 3.98Å; W132-W146 HydrophobicContact CZ2-CZ3 3.98Å; W132-W146 AromaticContact CZ3-CE3 3.54Å; W132-W146 HydrophobicContact CZ3-CE3 3.54Å; W132-W146 HydrophobicContact CZ3-CH2 4.4Å; W132-W146 AromaticContact CZ3-CZ3 3.24Å; W132-W146 HydrophobicContact CZ3-CZ3 3.24Å; W132-E151 HydrophobicContact CZ2-CB 4.25Å; W132-A152 HydrophobicContact CZ2-CB 4.26Å; W132-R155 HydrophobicContact CH2-CG 4.27Å
133T98.8Very high98.4Very high78 Ų7849.7 Ų49.748%0.47927%0.27SS..EExtended strand (participates in β ladder)trans-105.7116.6164.7-66.40000108.8I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.45Å; A124-T133 PolarHBondContact N-O 2.91Å; A124-T133 PolarHBondContact O-N 3.37Å; N126-T133 PolarHBondContact ND2-OG1 2.88Å; N126-T133 WeakPolarHBondContact OD1-CB 3.37Å; N126-T133 PolarHBondContact OD1-OG1 3.2Å
134A98.7Very high98.4Very high22 Ų2257 Ų5718%0.18230%0.297CS..EExtended strand (participates in β ladder)trans-95131.4174.600000110.2A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.73Å; A134-Q140 HydrophobicContact CB-CG 3.94Å; A134-Q143 HydrophobicContact CB-CB 4.39Å
135A98.6Very high98.4Very high59 Ų5960.9 Ų60.949%0.48831%0.309SS..SBendtrans-73.8-30.5-175.900000113.4D121 Y122D121-A135 HydrophobicContact CB-CB 4.44Å; D121-A135 WeakPolarHBondContact O-CB 3.42Å; Y122-A135 WeakPolarHBondContact O-CB 3.35Å; Y122-A135 PolarHBondContact O-N 2.62Å
136D98.4Very high98.4Very high54 Ų5463.2 Ų63.229%0.28932%0.317SS..SBendtrans-151.8-175.6-178.465.527.8000113Y84 A138 A139 Q140Y84-D136 WeakPolarHBondContact CE1-OD2 3.15Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.32Å; Y84-D136 VanDerWaalsContact OH-CG 3.26Å; Y84-D136 PolarHBondContact OH-OD1 3.36Å; Y84-D136 PolarHBondContact OH-OD2 3.24Å; D136-A138 VanDerWaalsContact C-N 3.29Å; D136-A138 PolarHBondContact O-N 3.42Å; D136-A138 WeakPolarHBondContact OD1-CA 3.11Å; D136-A138 WeakPolarHBondContact OD1-CB 3.43Å; D136-A138 PolarHBondContact OD1-N 3.39Å; D136-A139 PolarHBondContact O-N 2.86Å; D136-A139 PolarHBondContact OD1-N 3.1Å; D136-Q140 WeakPolarHBondContact O-CG 3.22Å; D136-Q140 PolarHBondContact O-N 3.43Å
137T98.3Very high98.4Very high109 Ų10965.8 Ų65.867%0.66933%0.328SS*.Hα-helixtrans-66.1-27.2-179.551.30000113.6
138A98.3Very high98.4Very high4 Ų463.7 Ų63.73%0.03333%0.333CS..Hα-helixtrans-71.8-45.2174.100000110.1Y84 Y122 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.22Å; Y84-A138 HydrophobicContact CD2-CB 4.41Å; Y84-A138 HydrophobicContact CE1-CB 3.68Å; Y84-A138 HydrophobicContact CE2-CB 3.88Å; Y84-A138 VanDerWaalsContact CZ-CB 3.49Å; Y122-A138 HydrophobicContact CE2-CB 4.44Å; Y122-A138 PolarHBondContact OH-O 2.65Å; D136-A138 VanDerWaalsContact C-N 3.29Å; D136-A138 PolarHBondContact O-N 3.42Å; D136-A138 WeakPolarHBondContact OD1-CA 3.11Å; D136-A138 WeakPolarHBondContact OD1-CB 3.43Å; D136-A138 PolarHBondContact OD1-N 3.39Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 2.89Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 3.13Å; A138-I141 PolarHBondContact O-N 2.74Å
139A98.6Very high98.4Very high0 Ų062.5 Ų62.50%033%0.334CS..Hα-helixtrans-60.9-34174.500000113.1Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.85Å; Y122-A139 HydrophobicContact CE1-CB 4.38Å; Y122-A139 HydrophobicContact CE2-CB 3.7Å; Y122-A139 HydrophobicContact CG-CB 4.26Å; Y122-A139 WeakPolarHBondContact O-CB 3.47Å; A134-A139 HydrophobicContact CB-CB 3.73Å; D136-A139 PolarHBondContact O-N 2.86Å; D136-A139 PolarHBondContact OD1-N 3.1Å; A139-I141 PolarHBondContact O-N 3.34Å; A139-T142 WeakPolarHBondContact O-CA 3.41Å; A139-T142 WeakPolarHBondContact O-CB 3.42Å; A139-T142 PolarHBondContact O-N 3.15Å; A139-Q143 PolarHBondContact O-N 3.28Å
140Q98.7Very high98.4Very high75 Ų7569.6 Ų69.635%0.3536%0.36SS..Hα-helixtrans-59.9-28.2173.3-741748.900112.9A134 D136 A138 R144A134-Q140 HydrophobicContact CB-CG 3.94Å; D136-Q140 WeakPolarHBondContact O-CG 3.22Å; D136-Q140 PolarHBondContact O-N 3.43Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 2.89Å; Q140-R144 WeakPolarHBondContact O-CG 3.46Å; Q140-R144 PolarHBondContact O-N 3.09Å; Q140-R144 VanDerWaalsContact O-N 3.1Å
141I98.5Very high98.4Very high61 Ų6164 Ų6431%0.31334%0.341SS..Hα-helixtrans-66.4-44.3173.7-57.5170.5000109.8Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.05Å; Y83-I141 HydrophobicContact CE1-CD1 4.36Å; Y83-I141 HydrophobicContact CE1-CG2 3.99Å; Y83-I141 HydrophobicContact CE2-CB 4.28Å; Y83-I141 HydrophobicContact CE2-CG2 4.19Å; Y83-I141 HydrophobicContact CG-CD1 4.18Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 3.13Å; A138-I141 PolarHBondContact O-N 2.74Å; A139-I141 PolarHBondContact O-N 3.34Å; I141-K145 WeakPolarHBondContact O-CG 3.5Å; I141-K145 PolarHBondContact O-N 3.01Å
142T98.4Very high98.4Very high16 Ų1662.5 Ų62.510%0.09833%0.331CS..Hα-helixtrans-64.4-45.2174.6-69.20000111.2Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 PolarHBondContact OH-OG1 3.14Å; I123-T142 HydrophobicContact CD1-CG2 4.07Å; A139-T142 WeakPolarHBondContact O-CA 3.41Å; A139-T142 WeakPolarHBondContact O-CB 3.42Å; A139-T142 PolarHBondContact O-N 3.15Å; T142-R144 PolarHBondContact O-N 3.19Å; T142-K145 WeakPolarHBondContact O-CB 3.19Å; T142-K145 PolarHBondContact O-N 3.46Å; T142-K145 VanDerWaalsContact O-N 3.07Å; T142-W146 HydrophobicContact CG2-CD2 3.68Å; T142-W146 HydrophobicContact CG2-CE3 4.13Å; T142-W146 HydrophobicContact CG2-CG 4.08Å; T142-W146 HydrophobicContact CG2-CH2 4.34Å; T142-W146 HydrophobicContact CG2-CZ2 3.89Å; T142-W146 HydrophobicContact CG2-CZ3 4.43Å; T142-W146 PolarHBondContact O-N 2.88Å
143Q98.6Very high98.4Very high40 Ų4067.3 Ų67.319%0.18735%0.354CS..Hα-helixtrans-52-52.1177.5176.8174.91100111.7I123 W132 A134 A139 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.93Å; W132-Q143 HydrophobicContact CB-CG 4.16Å; W132-Q143 PolarHBondContact O-NE2 3.35Å; A134-Q143 HydrophobicContact CB-CB 4.39Å; A139-Q143 PolarHBondContact O-N 3.28Å; Q143-K145 VanDerWaalsContact C-N 3.28Å; Q143-K145 PolarHBondContact O-N 3.25Å; Q143-W146 PolarHBondContact O-N 3.34Å; Q143-W146 VanDerWaalsContact O-N 3.13Å; Q143-E147 HydrophobicContact CG-CG 4.29Å; Q143-E147 VanDerWaalsContact CG-OE1 3.26Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.33Å; Q143-E147 PolarHBondContact NE2-OE1 3Å; Q143-E147 WeakPolarHBondContact O-CB 3.27Å; Q143-E147 WeakPolarHBondContact O-CG 3.47Å; Q143-E147 PolarHBondContact O-N 2.61Å
144R98.6Very high98.3Very high157 Ų15769.3 Ų69.359%0.59236%0.358SS*.Hα-helixtrans-59.2-38.5179-69.1171-166.7152.78.1112.7Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.46Å; Q140-R144 PolarHBondContact O-N 3.09Å; Q140-R144 VanDerWaalsContact O-N 3.1Å; T142-R144 PolarHBondContact O-N 3.19Å; R144-A148 WeakPolarHBondContact O-CB 3.27Å; R144-A148 PolarHBondContact O-N 2.77Å
145K98.1Very high98.3Very high112 Ų11271.3 Ų71.349%0.48736%0.361SS..Hα-helixtrans-66-44.7176.6-70.8177.7177.8-175.60111.2Y83 I141 T142 Q143 A148 A149Y83-K145 PolarHBondContact OH-NZ 3.44Å; I141-K145 WeakPolarHBondContact O-CG 3.5Å; I141-K145 PolarHBondContact O-N 3.01Å; T142-K145 WeakPolarHBondContact O-CB 3.19Å; T142-K145 PolarHBondContact O-N 3.46Å; T142-K145 VanDerWaalsContact O-N 3.07Å; Q143-K145 VanDerWaalsContact C-N 3.28Å; Q143-K145 PolarHBondContact O-N 3.25Å; K145-A148 PolarHBondContact O-N 3Å; K145-A149 WeakPolarHBondContact O-CB 3.14Å; K145-A149 PolarHBondContact O-N 3.44Å
146W98.3Very high98.2Very high60 Ų6071.9 Ų71.923%0.22735%0.35CS..Hα-helixtrans-69.9-36.2-179.4-74.63.9000112.8I123 W132 T142 Q143 A149 R150 E151I123-W146 HydrophobicContact CD1-CE3 3.96Å; I123-W146 HydrophobicContact CD1-CZ3 4.16Å; I123-W146 HydrophobicContact CG2-CE3 4.44Å; I123-W146 HydrophobicContact CG2-CH2 3.91Å; I123-W146 HydrophobicContact CG2-CZ3 3.61Å; W132-W146 AromaticContact CD2-CE3 3.81Å; W132-W146 HydrophobicContact CD2-CE3 3.81Å; W132-W146 HydrophobicContact CD2-CZ3 4.31Å; W132-W146 AromaticContact CE2-CE3 3.68Å; W132-W146 AromaticContact CE3-CE3 3.71Å; W132-W146 HydrophobicContact CE3-CE3 3.71Å; W132-W146 AromaticContact CE3-CZ3 3.72Å; W132-W146 HydrophobicContact CE3-CZ3 3.72Å; W132-W146 HydrophobicContact CH2-CD2 4.5Å; W132-W146 AromaticContact CH2-CE3 3.41Å; W132-W146 HydrophobicContact CH2-CE3 3.41Å; W132-W146 VanDerWaalsContact CH2-CE3 3.41Å; W132-W146 HydrophobicContact CH2-CH2 4.43Å; W132-W146 AromaticContact CH2-CZ3 3.38Å; W132-W146 HydrophobicContact CH2-CZ3 3.38Å; W132-W146 HydrophobicContact CZ2-CD2 4.34Å; W132-W146 AromaticContact CZ2-CE3 3.49Å; W132-W146 HydrophobicContact CZ2-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.49Å; W132-W146 AromaticContact CZ2-CZ3 3.98Å; W132-W146 HydrophobicContact CZ2-CZ3 3.98Å; W132-W146 AromaticContact CZ3-CE3 3.54Å; W132-W146 HydrophobicContact CZ3-CE3 3.54Å; W132-W146 HydrophobicContact CZ3-CH2 4.4Å; W132-W146 AromaticContact CZ3-CZ3 3.24Å; W132-W146 HydrophobicContact CZ3-CZ3 3.24Å; T142-W146 HydrophobicContact CG2-CD2 3.68Å; T142-W146 HydrophobicContact CG2-CE3 4.13Å; T142-W146 HydrophobicContact CG2-CG 4.08Å; T142-W146 HydrophobicContact CG2-CH2 4.34Å; T142-W146 HydrophobicContact CG2-CZ2 3.89Å; T142-W146 HydrophobicContact CG2-CZ3 4.43Å; T142-W146 PolarHBondContact O-N 2.88Å; Q143-W146 PolarHBondContact O-N 3.34Å; Q143-W146 VanDerWaalsContact O-N 3.13Å; W146-A149 CarbonylContact O-C 3.52Å; W146-A149 PolarHBondContact O-N 3.39Å; W146-R150 WeakPolarHBondContact O-CA 3.43Å; W146-R150 PolarHBondContact O-N 2.94Å; W146-E151 HydrophobicContact CB-CB 3.96Å; W146-E151 HydrophobicContact CB-CG 3.92Å; W146-E151 HydrophobicContact CG-CB 4.12Å; W146-E151 HydrophobicContact CG-CG 3.84Å; W146-E151 PolarHBondContact O-N 3.12Å
147E98.4Very high98.3Very high97 Ų9772.4 Ų72.445%0.45336%0.362SS..Hα-helixtrans-64.4-46.7171.9-73.4170173.700111.2Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.29Å; Q143-E147 VanDerWaalsContact CG-OE1 3.26Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.33Å; Q143-E147 PolarHBondContact NE2-OE1 3Å; Q143-E147 WeakPolarHBondContact O-CB 3.27Å; Q143-E147 WeakPolarHBondContact O-CG 3.47Å; Q143-E147 PolarHBondContact O-N 2.61Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 2.93Å; E147-R150 PolarHBondContact O-N 3.02Å; E147-R150 VanDerWaalsContact O-N 3.11Å
148A98.3Very high98.3Very high89 Ų8969.7 Ų69.774%0.73634%0.34SS*.Hα-helixtrans-61.8-35.2176.800000112.7R144 K145R144-A148 WeakPolarHBondContact O-CB 3.27Å; R144-A148 PolarHBondContact O-N 2.77Å; K145-A148 PolarHBondContact O-N 3Å
149A98Very high98.3Very high51 Ų5169.6 Ų69.642%0.42134%0.339SS..THydrogen-bonded Turntrans-87.6-1.9177.300000114.1K145 W146 E147 E151K145-A149 WeakPolarHBondContact O-CB 3.14Å; K145-A149 PolarHBondContact O-N 3.44Å; W146-A149 CarbonylContact O-C 3.52Å; W146-A149 PolarHBondContact O-N 3.39Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 2.93Å; A149-E151 VanDerWaalsContact C-N 3.25Å; A149-E151 HydrophobicContact CB-CG 4.07Å; A149-E151 PolarHBondContact O-N 3.35Å
150R97.8Very high98.3Very high158 Ų15873.9 Ų73.960%0.59636%0.359SS*.THydrogen-bonded Turntrans53.338.7-176.6-57.6177.8172.1-143.66.5113.8W146 E147 A152 E153W146-R150 WeakPolarHBondContact O-CA 3.43Å; W146-R150 PolarHBondContact O-N 2.94Å; E147-R150 PolarHBondContact O-N 3.02Å; E147-R150 VanDerWaalsContact O-N 3.11Å; R150-A152 PolarHBondContact O-N 2.77Å; R150-E153 HydrophobicContact CB-CG 4.24Å; R150-E153 WeakPolarHBondContact CD-OE1 3.35Å; R150-E153 IonicContact CZ-OE1 3.89Å; R150-E153 IonicContact NE-OE1 3.99Å; R150-E153 IonicContact NH1-OE1 3.12Å; R150-E153 PolarHBondContact NH1-OE1 2.88Å; R150-E153 VanDerWaalsContact NH1-OE1 3.12Å; R150-E153 IonicContact NH1-OE2 3.86Å; R150-E153 WeakPolarHBondContact O-CB 3.4Å; R150-E153 PolarHBondContact O-N 2.96Å
151E97.8Very high98.2Very high50 Ų5071.3 Ų71.323%0.23435%0.352CS..Hα-helixtrans-58.1-33.8-177.7-69.2-68.6171.300112.5W132 W146 A149 E153 Q154 R155W132-E151 HydrophobicContact CZ2-CB 4.25Å; W146-E151 HydrophobicContact CB-CB 3.96Å; W146-E151 HydrophobicContact CB-CG 3.92Å; W146-E151 HydrophobicContact CG-CB 4.12Å; W146-E151 HydrophobicContact CG-CG 3.84Å; W146-E151 PolarHBondContact O-N 3.12Å; A149-E151 VanDerWaalsContact C-N 3.25Å; A149-E151 HydrophobicContact CB-CG 4.07Å; A149-E151 PolarHBondContact O-N 3.35Å; E151-E153 VanDerWaalsContact C-N 3.25Å; E151-E153 PolarHBondContact O-N 3.34Å; E151-Q154 PolarHBondContact O-N 3.4Å; E151-Q154 VanDerWaalsContact O-N 3.12Å; E151-R155 WeakPolarHBondContact O-CG 3.2Å; E151-R155 PolarHBondContact O-N 2.91Å
152A98.4Very high98.2Very high9 Ų970.8 Ų70.87%0.07435%0.352CS..Hα-helixtrans-58.8-35.4177.600000112.6L125 R130 W132 R150 Q154 R155 R156L125-A152 HydrophobicContact CD1-CB 3.9Å; R130-A152 WeakPolarHBondContact O-CB 3.41Å; W132-A152 HydrophobicContact CZ2-CB 4.26Å; R150-A152 PolarHBondContact O-N 2.77Å; A152-Q154 VanDerWaalsContact C-N 3.34Å; A152-Q154 PolarHBondContact O-N 3.34Å; A152-R155 PolarHBondContact O-N 2.75Å; A152-R156 WeakPolarHBondContact O-CB 3.06Å; A152-R156 PolarHBondContact O-N 3.5Å
153E98.1Very high98.2Very high113 Ų11370 Ų7053%0.52835%0.347SS..Hα-helixtrans-64.5-40.2177.8-63.6178.5-17200111.2R150 E151 A157R150-E153 HydrophobicContact CB-CG 4.24Å; R150-E153 WeakPolarHBondContact CD-OE1 3.35Å; R150-E153 IonicContact CZ-OE1 3.89Å; R150-E153 IonicContact NE-OE1 3.99Å; R150-E153 IonicContact NH1-OE1 3.12Å; R150-E153 PolarHBondContact NH1-OE1 2.88Å; R150-E153 VanDerWaalsContact NH1-OE1 3.12Å; R150-E153 IonicContact NH1-OE2 3.86Å; R150-E153 WeakPolarHBondContact O-CB 3.4Å; R150-E153 PolarHBondContact O-N 2.96Å; E151-E153 VanDerWaalsContact C-N 3.25Å; E151-E153 PolarHBondContact O-N 3.34Å; E153-A157 WeakPolarHBondContact O-CB 3.45Å; E153-A157 PolarHBondContact O-N 2.95Å
154Q97.2Very high98.2Very high120 Ų12068.6 Ų68.656%0.56134%0.341SS*.Hα-helixtrans-69.2-43.6177.2-61.6-177.546.500111.6E151 A152 A157 Y158E151-Q154 PolarHBondContact O-N 3.4Å; E151-Q154 VanDerWaalsContact O-N 3.12Å; A152-Q154 VanDerWaalsContact C-N 3.34Å; A152-Q154 PolarHBondContact O-N 3.34Å; Q154-A157 PolarHBondContact O-N 3.12Å; Q154-Y158 PolarHBondContact O-N 3.05Å; Q154-Y158 VanDerWaalsContact O-N 3.09Å
155R98Very high98.2Very high63 Ų6367 Ų6724%0.23834%0.341CS..Hα-helixtrans-61.8-45.4176.4-63.5-47.9-175.9174.34.1111.4D113 L125 W132 E151 A152 A157 Y158 L159D113-R155 WeakPolarHBondContact OD2-CD 3.44Å; D113-R155 WeakPolarHBondContact OD2-CG 3.48Å; D113-R155 IonicContact OD2-CZ 3.94Å; D113-R155 IonicContact OD2-NE 3.72Å; D113-R155 PolarHBondContact OD2-NE 3.43Å; D113-R155 IonicContact OD2-NH1 3.07Å; L125-R155 HydrophobicContact CD2-CB 3.95Å; W132-R155 HydrophobicContact CH2-CG 4.27Å; E151-R155 WeakPolarHBondContact O-CG 3.2Å; E151-R155 PolarHBondContact O-N 2.91Å; A152-R155 PolarHBondContact O-N 2.75Å; R155-A157 PolarHBondContact O-N 2.78Å; R155-Y158 PolarHBondContact O-N 3.42Å; R155-L159 WeakPolarHBondContact O-CB 3.29Å; R155-L159 VanDerWaalsContact O-CG 3.23Å; R155-L159 WeakPolarHBondContact O-CG 3.3Å; R155-L159 PolarHBondContact O-N 3.03Å
156R98.4Very high98.2Very high72 Ų7264 Ų6427%0.27233%0.326SS..Hα-helixtrans-58.7-46.5175.6-175.4173.1178.9-135.5-13.8112.3L129 A152 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.06Å; L129-R156 HydrophobicContact CB-CG 3.87Å; L129-R156 HydrophobicContact CD1-CG 4.22Å; A152-R156 WeakPolarHBondContact O-CB 3.06Å; A152-R156 PolarHBondContact O-N 3.5Å; R156-Y158 VanDerWaalsContact C-N 3.3Å; R156-Y158 PolarHBondContact O-N 2.87Å; R156-L159 PolarHBondContact O-N 3.2Å; R156-E160 HydrophobicContact CG-CG 4.12Å; R156-E160 IonicContact CZ-OE1 3.28Å; R156-E160 VanDerWaalsContact CZ-OE1 3.28Å; R156-E160 IonicContact CZ-OE2 3.6Å; R156-E160 VanDerWaalsContact NE-CD 3.32Å; R156-E160 IonicContact NE-OE1 2.78Å; R156-E160 PolarHBondContact NE-OE1 3.38Å; R156-E160 IonicContact NE-OE2 3.35Å; R156-E160 PolarHBondContact NE-OE2 3.09Å; R156-E160 IonicContact NH2-OE1 2.9Å; R156-E160 PolarHBondContact NH2-OE1 3.33Å; R156-E160 IonicContact NH2-OE2 3.33Å; R156-E160 PolarHBondContact NH2-OE2 3.4Å; R156-E160 WeakPolarHBondContact O-CB 3.41Å; R156-E160 PolarHBondContact O-N 2.78Å
157A98.5Very high98.2Very high64 Ų6461.1 Ų61.153%0.52932%0.315SS..Hα-helixtrans-59.8-39.9177.900000112.5E153 Q154 R155 G161E153-A157 WeakPolarHBondContact O-CB 3.45Å; E153-A157 PolarHBondContact O-N 2.95Å; Q154-A157 PolarHBondContact O-N 3.12Å; R155-A157 PolarHBondContact O-N 2.78Å; A157-G161 PolarHBondContact O-N 3.23Å; A157-G161 VanDerWaalsContact O-N 3.11Å
158Y98.3Very high98.2Very high53 Ų5362.4 Ų62.421%0.20832%0.316CS..Iπ-helixtrans-65.7-47.6173.5172.7-94.9000112.2F98 Q154 R155 R156 G161 T162 C163F98-Y158 AromaticContact CD2-CE1 3.75Å; F98-Y158 HydrophobicContact CD2-CE1 3.75Å; F98-Y158 AromaticContact CE2-CE1 3.72Å; F98-Y158 HydrophobicContact CE2-CE1 3.72Å; F98-Y158 AromaticContact CE2-CZ 3.89Å; Q154-Y158 PolarHBondContact O-N 3.05Å; Q154-Y158 VanDerWaalsContact O-N 3.09Å; R155-Y158 PolarHBondContact O-N 3.42Å; R156-Y158 VanDerWaalsContact C-N 3.3Å; R156-Y158 PolarHBondContact O-N 2.87Å; Y158-G161 CarbonylContact O-C 3.5Å; Y158-G161 PolarHBondContact O-N 3.16Å; Y158-T162 HydrophobicContact CD2-CG2 3.92Å; Y158-T162 HydrophobicContact CE2-CG2 3.66Å; Y158-T162 PolarHBondContact O-N 3.46Å; Y158-T162 VanDerWaalsContact O-N 3.09Å; Y158-C163 HydrophobicContact CD1-CB 4.31Å; Y158-C163 HydrophobicContact CE1-CB 3.86Å; Y158-C163 WeakPolarHBondContact O-CB 3.29Å; Y158-C163 PolarHBondContact O-N 3.3Å
159L98.6Very high98.2Very high2 Ų263.6 Ų63.61%0.0130%0.301CS..Iπ-helixtrans-69-38.8-174.8-70.1171.1000112.8G99 L125 L129 R155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.17Å; L125-L159 HydrophobicContact CD2-CD1 3.99Å; L129-L159 HydrophobicContact CD1-CB 4.48Å; L129-L159 HydrophobicContact CD2-CD1 3.93Å; R155-L159 WeakPolarHBondContact O-CB 3.29Å; R155-L159 VanDerWaalsContact O-CG 3.23Å; R155-L159 WeakPolarHBondContact O-CG 3.3Å; R155-L159 PolarHBondContact O-N 3.03Å; R156-L159 PolarHBondContact O-N 3.2Å; L159-V164 WeakPolarHBondContact O-CG2 3.21Å
160E98.3Very high98.2Very high90 Ų9061.2 Ų61.242%0.42128%0.282SS..Iπ-helixtrans-80.2-25.1177.4-69.1-179.416700113.1L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.41Å; L108-E160 HydrophobicContact CD2-CG 3.69Å; L129-E160 HydrophobicContact CD1-CG 4.28Å; R156-E160 HydrophobicContact CG-CG 4.12Å; R156-E160 IonicContact CZ-OE1 3.28Å; R156-E160 VanDerWaalsContact CZ-OE1 3.28Å; R156-E160 IonicContact CZ-OE2 3.6Å; R156-E160 VanDerWaalsContact NE-CD 3.32Å; R156-E160 IonicContact NE-OE1 2.78Å; R156-E160 PolarHBondContact NE-OE1 3.38Å; R156-E160 IonicContact NE-OE2 3.35Å; R156-E160 PolarHBondContact NE-OE2 3.09Å; R156-E160 IonicContact NH2-OE1 2.9Å; R156-E160 PolarHBondContact NH2-OE1 3.33Å; R156-E160 IonicContact NH2-OE2 3.33Å; R156-E160 PolarHBondContact NH2-OE2 3.4Å; R156-E160 WeakPolarHBondContact O-CB 3.41Å; R156-E160 PolarHBondContact O-N 2.78Å
161G98.3Very high98.2Very high21 Ų2154.4 Ų54.422%0.21626%0.257CS..Iπ-helixtrans-107.6-90.6-178.300000112.6A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 3.23Å; A157-G161 VanDerWaalsContact O-N 3.11Å; Y158-G161 CarbonylContact O-C 3.5Å; Y158-G161 PolarHBondContact O-N 3.16Å; G161-C163 VanDerWaalsContact C-N 3.31Å; G161-C163 PolarHBondContact O-N 2.87Å; G161-V164 PolarHBondContact O-N 3.4Å; G161-V164 VanDerWaalsContact O-N 3.12Å; G161-E165 WeakPolarHBondContact O-CG 3.34Å; G161-E165 PolarHBondContact O-N 3.1Å
162T98.2Very high98.2Very high50 Ų5057.2 Ų57.231%0.30727%0.27SS..Iπ-helixtrans-53.5-43.6-170.9-55.90000113.1Y158 E165 W166Y158-T162 HydrophobicContact CD2-CG2 3.92Å; Y158-T162 HydrophobicContact CE2-CG2 3.66Å; Y158-T162 PolarHBondContact O-N 3.46Å; Y158-T162 VanDerWaalsContact O-N 3.09Å; T162-E165 PolarHBondContact O-N 2.9Å; T162-W166 VanDerWaalsContact CG2-CD1 3.48Å; T162-W166 WeakPolarHBondContact O-CB 3.46Å; T162-W166 PolarHBondContact O-N 3.23Å
163C98.6Very high98.1Very high0 Ų059 Ų590%028%0.279CS..Hα-helixtrans-61-48.6-179.8-170.30000111.5M4 C100 Y158 G161 W166 L167M4-C163 HydrophobicContact CE-CB 4.15Å; M4-C163 WeakPolarHBondContact CE-O 3.14Å; M4-C163 WeakPolarHBondContact CE-SG 3.19Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.32Å; C100-C163 PolarHBondContact N-SG 2.93Å; C100-C163 WeakPolarHBondContact SG-CB 3.39Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.48Å; Y158-C163 HydrophobicContact CD1-CB 4.31Å; Y158-C163 HydrophobicContact CE1-CB 3.86Å; Y158-C163 WeakPolarHBondContact O-CB 3.29Å; Y158-C163 PolarHBondContact O-N 3.3Å; G161-C163 VanDerWaalsContact C-N 3.31Å; G161-C163 PolarHBondContact O-N 2.87Å; C163-W166 PolarHBondContact O-N 3.36Å; C163-L167 WeakPolarHBondContact O-CB 3.19Å; C163-L167 PolarHBondContact O-N 3.45Å
164V98.5Very high98.1Very high10 Ų1053.8 Ų53.86%0.06126%0.255CS..Hα-helixtrans-62.6-45.8179.1176.40000111.1L102 L108 L159 G161 L167 R168L102-V164 HydrophobicContact CD1-CG1 4.43Å; L102-V164 HydrophobicContact CD2-CB 4.2Å; L102-V164 HydrophobicContact CD2-CG1 3.82Å; L102-V164 HydrophobicContact CD2-CG2 3.84Å; L108-V164 HydrophobicContact CB-CG2 4.03Å; L108-V164 HydrophobicContact CD1-CG2 4.02Å; L159-V164 WeakPolarHBondContact O-CG2 3.21Å; G161-V164 PolarHBondContact O-N 3.4Å; G161-V164 VanDerWaalsContact O-N 3.12Å; V164-L167 PolarHBondContact O-N 3.18Å; V164-R168 WeakPolarHBondContact O-CG 3.33Å; V164-R168 PolarHBondContact O-N 3.2Å
165E98.3Very high98Very high123 Ų12352.9 Ų52.958%0.57525%0.249SC*.Hα-helixtrans-60.8-47-179.9-72.1173.517600112.1G161 T162 R169G161-E165 WeakPolarHBondContact O-CG 3.34Å; G161-E165 PolarHBondContact O-N 3.1Å; T162-E165 PolarHBondContact O-N 2.9Å; E165-R169 PolarHBondContact O-N 3.48Å; E165-R169 VanDerWaalsContact O-N 3.1Å
166W98.4Very high97.7Very high48 Ų4857.8 Ų57.818%0.18228%0.275CS..Hα-helixtrans-70.4-40179.9-82.195.5000112.5M4 Y58 T162 C163 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.12Å; M4-W166 HydrophobicContact SD-CB 4.48Å; Y58-W166 AromaticContact CD2-CH2 3.49Å; Y58-W166 HydrophobicContact CD2-CH2 3.49Å; Y58-W166 VanDerWaalsContact CD2-CH2 3.49Å; Y58-W166 HydrophobicContact CD2-CZ2 4.16Å; Y58-W166 AromaticContact CD2-CZ3 3.8Å; Y58-W166 HydrophobicContact CD2-CZ3 3.8Å; Y58-W166 HydrophobicContact CE2-CE3 4.22Å; Y58-W166 AromaticContact CE2-CH2 3.82Å; Y58-W166 HydrophobicContact CE2-CH2 3.82Å; Y58-W166 HydrophobicContact CE2-CZ2 4.42Å; Y58-W166 AromaticContact CE2-CZ3 3.7Å; Y58-W166 HydrophobicContact CE2-CZ3 3.7Å; T162-W166 VanDerWaalsContact CG2-CD1 3.48Å; T162-W166 WeakPolarHBondContact O-CB 3.46Å; T162-W166 PolarHBondContact O-N 3.23Å; C163-W166 PolarHBondContact O-N 3.36Å; W166-R168 VanDerWaalsContact C-N 3.35Å; W166-R168 PolarHBondContact O-N 2.81Å; W166-R169 WeakPolarHBondContact O-CB 3.36Å; W166-R169 PolarHBondContact O-N 2.95Å; W166-Y170 HydrophobicContact CB-CE2 4.12Å; W166-Y170 HydrophobicContact CE3-CD1 4.4Å; W166-Y170 AromaticContact CE3-CE1 3.5Å; W166-Y170 HydrophobicContact CE3-CE1 3.5Å; W166-Y170 HydrophobicContact CE3-CE2 4.22Å; W166-Y170 AromaticContact CE3-CZ 3.38Å; W166-Y170 AromaticContact CZ3-CE1 3.85Å; W166-Y170 HydrophobicContact CZ3-CE1 3.85Å; W166-Y170 VanDerWaalsContact O-CD2 3.29Å; W166-Y170 WeakPolarHBondContact O-CD2 3.48Å; W166-Y170 VanDerWaalsContact O-CG 3.24Å; W166-Y170 PolarHBondContact O-N 3.05Å
167L98.6Very high97.4Very high0 Ų057.9 Ų57.90%028%0.284CS..Hα-helixtrans-60.4-44.7175.4175.450000111.1H2 M4 V27 L102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.38Å; M4-L167 HydrophobicContact CB-CB 4.06Å; M4-L167 HydrophobicContact CB-CD1 4.05Å; M4-L167 HydrophobicContact CB-CD2 3.94Å; M4-L167 HydrophobicContact CB-CG 4.23Å; M4-L167 HydrophobicContact CE-CB 4.31Å; M4-L167 HydrophobicContact SD-CB 4.47Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.25Å; L102-L167 HydrophobicContact CD1-CB 4.22Å; L102-L167 HydrophobicContact CD1-CD2 3.67Å; L102-L167 HydrophobicContact CD1-CG 3.74Å; L102-L167 HydrophobicContact CG-CD2 3.59Å; L102-L167 HydrophobicContact CG-CG 4.24Å; C163-L167 WeakPolarHBondContact O-CB 3.19Å; C163-L167 PolarHBondContact O-N 3.45Å; V164-L167 PolarHBondContact O-N 3.18Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 3.18Å; L167-Y170 PolarHBondContact O-N 3.24Å; L167-L171 HydrophobicContact CD1-CD1 3.89Å; L167-L171 HydrophobicContact CD1-CD2 4.39Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CG-CD1 4.07Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.21Å; L167-L171 PolarHBondContact O-N 3.49Å
168R98.1Very high97.2Very high124 Ų12455 Ų5547%0.46826%0.259SS..Hα-helixtrans-59.4-43.2174.4-72.4174.4-178.9173.70.4112.5L102 G106 V164 W166 L171 E172L102-R168 HydrophobicContact CD1-CG 3.96Å; G106-R168 VanDerWaalsContact O-CZ 3.27Å; G106-R168 PolarHBondContact O-NE 2.84Å; G106-R168 PolarHBondContact O-NH2 3.1Å; V164-R168 WeakPolarHBondContact O-CG 3.33Å; V164-R168 PolarHBondContact O-N 3.2Å; W166-R168 VanDerWaalsContact C-N 3.35Å; W166-R168 PolarHBondContact O-N 2.81Å; R168-L171 PolarHBondContact O-N 3.02Å; R168-E172 PolarHBondContact O-N 2.83Å; R168-E172 VanDerWaalsContact O-N 3.09Å
169R97.9Very high97Very high114 Ų11457.7 Ų57.743%0.4327%0.274SS..Hα-helixtrans-60.9-45.3176.1177.8178.9173.597-6.1111.4E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 3.48Å; E54-R169 IonicContact OE1-NE 3.04Å; E54-R169 PolarHBondContact OE1-NE 3.34Å; E54-R169 IonicContact OE1-NH2 2.95Å; E54-R169 PolarHBondContact OE1-NH2 2.94Å; E54-R169 IonicContact OE2-CZ 2.78Å; E54-R169 IonicContact OE2-NE 3.52Å; E54-R169 PolarHBondContact OE2-NE 2.63Å; E54-R169 IonicContact OE2-NH2 2.64Å; E54-R169 PolarHBondContact OE2-NH2 2.99Å; E165-R169 PolarHBondContact O-N 3.48Å; E165-R169 VanDerWaalsContact O-N 3.1Å; W166-R169 WeakPolarHBondContact O-CB 3.36Å; W166-R169 PolarHBondContact O-N 2.95Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 3.18Å; R169-E172 PolarHBondContact O-N 2.6Å; R169-N173 VanDerWaalsContact O-CB 3.31Å; R169-N173 WeakPolarHBondContact O-CB 3.31Å; R169-N173 PolarHBondContact O-N 3.35Å; R169-N173 PolarHBondContact O-ND2 3.14Å; R169-N173 PolarHBondContact O-OD1 2.97Å
170Y98.3Very high96.7Very high1 Ų164.6 Ų64.60%0.00430%0.3CS..Hα-helixtrans-65.8-39178.7-62.6-30.2000112.4M4 V27 F32 W50 V51 Y58 W166 L167 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.77Å; M4-Y170 HydrophobicContact SD-CE2 3.64Å; V27-Y170 HydrophobicContact CG2-CD2 3.95Å; V27-Y170 HydrophobicContact CG2-CG 4.45Å; F32-Y170 AromaticContact CE2-CE2 3.88Å; F32-Y170 HydrophobicContact CE2-CE2 3.88Å; F32-Y170 AromaticContact CZ-CE2 3.91Å; F32-Y170 HydrophobicContact CZ-CE2 3.91Å; W50-Y170 HydrophobicContact CE3-CD1 4.11Å; W50-Y170 HydrophobicContact CE3-CG 4.37Å; W50-Y170 HydrophobicContact CH2-CD1 4.44Å; W50-Y170 HydrophobicContact CH2-CD2 4.38Å; W50-Y170 HydrophobicContact CH2-CG 4.04Å; W50-Y170 AromaticContact CZ3-CD1 3.49Å; W50-Y170 HydrophobicContact CZ3-CD1 3.49Å; W50-Y170 VanDerWaalsContact CZ3-CD1 3.49Å; W50-Y170 HydrophobicContact CZ3-CD2 4.17Å; W50-Y170 HydrophobicContact CZ3-CE1 4.15Å; W50-Y170 AromaticContact CZ3-CG 3.51Å; W50-Y170 HydrophobicContact CZ3-CG 3.51Å; V51-Y170 HydrophobicContact CG2-CE1 4.4Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.3Å; Y58-Y170 VanDerWaalsContact CZ-OH 3.29Å; Y58-Y170 PolarHBondContact OH-OH 3.22Å; W166-Y170 HydrophobicContact CB-CE2 4.12Å; W166-Y170 HydrophobicContact CE3-CD1 4.4Å; W166-Y170 AromaticContact CE3-CE1 3.5Å; W166-Y170 HydrophobicContact CE3-CE1 3.5Å; W166-Y170 HydrophobicContact CE3-CE2 4.22Å; W166-Y170 AromaticContact CE3-CZ 3.38Å; W166-Y170 AromaticContact CZ3-CE1 3.85Å; W166-Y170 HydrophobicContact CZ3-CE1 3.85Å; W166-Y170 VanDerWaalsContact O-CD2 3.29Å; W166-Y170 WeakPolarHBondContact O-CD2 3.48Å; W166-Y170 VanDerWaalsContact O-CG 3.24Å; W166-Y170 PolarHBondContact O-N 3.05Å; L167-Y170 PolarHBondContact O-N 3.24Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; Y170-E172 PolarHBondContact O-N 3.19Å; Y170-N173 PolarHBondContact O-N 2.89Å; Y170-G174 PolarHBondContact O-N 3.01Å; Y170-L178 WeakPolarHBondContact O-CD1 3.25Å
171L97.8Very high96.6Very high16 Ų1661.6 Ų61.68%0.08429%0.29CS..Hα-helixtrans-63-37.3175.1-70169000112.7H2 V27 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.73Å; H2-L171 HydrophobicContact CB-CD2 3.94Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 VanDerWaalsContact CG-CD2 3.44Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.41Å; V27-L171 HydrophobicContact CG1-CD2 4.13Å; L167-L171 HydrophobicContact CD1-CD1 3.89Å; L167-L171 HydrophobicContact CD1-CD2 4.39Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CG-CD1 4.07Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.21Å; L167-L171 PolarHBondContact O-N 3.49Å; R168-L171 PolarHBondContact O-N 3.02Å; L171-K175 VanDerWaalsContact O-CA 3.27Å; L171-K175 WeakPolarHBondContact O-CA 3.27Å; L171-K175 WeakPolarHBondContact O-CB 3.21Å; L171-K175 PolarHBondContact O-N 3.13Å; L171-K175 VanDerWaalsContact O-N 3.14Å; L171-L178 HydrophobicContact CD2-CB 4.11Å; L171-L178 HydrophobicContact CD2-CD1 4.38Å; L171-Q179 PolarHBondContact O-NE2 3.07Å
172E97.3Very high96.5Very high108 Ų10863.9 Ų63.951%0.50530%0.295SS..Hα-helixtrans-70.9-47.3174-177.956.2-141.200111.3R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 2.83Å; R168-E172 VanDerWaalsContact O-N 3.09Å; R169-E172 PolarHBondContact O-N 2.6Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; Y170-E172 PolarHBondContact O-N 3.19Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3.12Å; E172-K175 PolarHBondContact O-N 3.19Å; E172-K175 IonicContact OE1-NZ 3.51Å; E172-K175 PolarHBondContact OE1-NZ 2.83Å
173N97.4Very high96.4Very high48 Ų4866.2 Ų66.226%0.25730%0.302SS..Hα-helixtrans-60.5-39.9-179.7-72.2-6.4000112.5W50 Q53 E54 R169 Y170W50-N173 HydrophobicContact CB-CB 4.39Å; Q53-N173 PolarHBondContact NE2-ND2 2.92Å; Q53-N173 PolarHBondContact NE2-OD1 2.85Å; E54-N173 PolarHBondContact OE1-ND2 2.8Å; R169-N173 VanDerWaalsContact O-CB 3.31Å; R169-N173 WeakPolarHBondContact O-CB 3.31Å; R169-N173 PolarHBondContact O-N 3.35Å; R169-N173 PolarHBondContact O-ND2 3.14Å; R169-N173 PolarHBondContact O-OD1 2.97Å; Y170-N173 PolarHBondContact O-N 2.89Å
174G96.8Very high96.4Very high3 Ų366.6 Ų66.63%0.03131%0.305CS..THydrogen-bonded Turntrans-103.215.5-175.300000114.2Y170 E172 E176 T177 L178Y170-G174 PolarHBondContact O-N 3.01Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3.12Å; G174-E176 PolarHBondContact O-N 3.17Å; G174-T177 PolarHBondContact O-N 3.31Å; G174-T177 PolarHBondContact O-OG1 3.27Å; G174-L178 PolarHBondContact O-N 2.98Å
175K95.4Very high96.4Very high101 Ų10173.7 Ų73.744%0.43934%0.335SS..Hα-helixtrans-51-35.5-169.867.1-172.9172.4-163.70115.2L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.27Å; L171-K175 WeakPolarHBondContact O-CA 3.27Å; L171-K175 WeakPolarHBondContact O-CB 3.21Å; L171-K175 PolarHBondContact O-N 3.13Å; L171-K175 VanDerWaalsContact O-N 3.14Å; E172-K175 PolarHBondContact O-N 3.19Å; E172-K175 IonicContact OE1-NZ 3.51Å; E172-K175 PolarHBondContact OE1-NZ 2.83Å; K175-T177 PolarHBondContact O-N 2.85Å; K175-Q179 WeakPolarHBondContact O-CB 3.39Å; K175-Q179 PolarHBondContact O-N 2.84Å
176E92.5Very high96.4Very high165 Ų16569.5 Ų69.577%0.77132%0.318SS*.Hα-helixtrans-65.5-23.2-179.8-62.6-176.4170.100112.9G174G174-E176 PolarHBondContact O-N 3.17Å
177T92.6Very high96.4Very high75 Ų7571 Ų7146%0.4633%0.326SS..Hα-helixtrans-111.1-49.5-178.554.50000112.2G174 K175G174-T177 PolarHBondContact O-N 3.31Å; G174-T177 PolarHBondContact O-OG1 3.27Å; K175-T177 PolarHBondContact O-N 2.85Å
178L94.1Very high96.4Very high4 Ų472 Ų722%0.02133%0.333CS..Hα-helixtrans-76.8-25.9-172.3-63174.6000113.8H2 V27 T30 W50 Y170 L171 G174H2-L178 PolarHBondContact CE1-O 2.9Å; V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.16Å; V27-L178 HydrophobicContact CG1-CD1 3.91Å; V27-L178 HydrophobicContact CG1-CD2 4.07Å; T30-L178 HydrophobicContact CG2-CD2 4.09Å; W50-L178 HydrophobicContact CD2-CD1 4.41Å; W50-L178 HydrophobicContact CH2-CD1 4.46Å; W50-L178 HydrophobicContact CZ2-CD1 3.87Å; W50-L178 HydrophobicContact CZ2-CD2 4.23Å; W50-L178 HydrophobicContact CZ2-CG 4.48Å; Y170-L178 WeakPolarHBondContact O-CD1 3.25Å; L171-L178 HydrophobicContact CD2-CB 4.11Å; L171-L178 HydrophobicContact CD2-CD1 4.38Å; G174-L178 PolarHBondContact O-N 2.98Å
179Q92.3Very high96.4Very high108 Ų10867.7 Ų67.751%0.50532%0.32SS..THydrogen-bonded Turntrans-103.612.5179.5-57.7-176.934.700112.4L171 K175L171-Q179 PolarHBondContact O-NE2 3.07Å; K175-Q179 WeakPolarHBondContact O-CB 3.39Å; K175-Q179 PolarHBondContact O-N 2.84Å
180R93.2Very high96.4Very high148 Ų14864.4 Ų64.456%0.55831%0.31SS*.  trans-109.3123.5177.9-178.2179.4174.8-161-8.6109.3E182 Y208R180-E182 IonicContact CZ-OE1 3.63Å; R180-E182 IonicContact NH1-OE1 2.63Å; R180-Y208 WeakPolarHBondContact O-CD1 3.29Å
181A95.4Very high96.3Very high26 Ų2668.2 Ų68.222%0.21533%0.327CS..PPolyproline II helixtrans-86.7133.4165.300000109.9Y208 E263A181-Y208 CarbonylContact C-O 3.56Å; A181-Y208 VanDerWaalsContact CA-O 3.28Å; A181-Y208 WeakPolarHBondContact CA-O 3.48Å; A181-E263 HydrophobicContact CB-CG 4.17Å
182E96.3Very high96.3Very high69 Ų6972.2 Ų72.232%0.32235%0.354SS..BIsolated β-bridgetrans-99.3120.7168.3-62.5-159.6172.200109.1R180 F207 Y208 T239 H262R180-E182 IonicContact CZ-OE1 3.63Å; R180-E182 IonicContact NH1-OE1 2.63Å; E182-F207 WeakPolarHBondContact O-CA 3.41Å; E182-F207 WeakPolarHBondContact O-CB 3.06Å; E182-Y208 PolarHBondContact N-O 3.48Å; E182-Y208 PolarHBondContact O-N 3.12Å; E182-T239 WeakPolarHBondContact OE2-CG2 3.49Å; E182-H262 PolarHBondContact O-CE1 3.46Å
183H96.8Very high96.1Very high100 Ų10071.5 Ų71.546%0.46336%0.357SS..PPolyproline II helixtrans-70.6145.8-178.4-48.7-104.2000111.4K185 G264 L265H183-K185 PolarHBondContact O-N 3.19Å; H183-G264 PolarHBondContact CE1-O 3.35Å; H183-G264 PolarHBondContact ND1-O 3.02Å; H183-L265 HydrophobicContact CB-CD2 4.1Å; H183-L265 PolarHBondContact ND1-N 3.33Å
184P98.3Very high96Very high8 Ų871.7 Ų71.75%0.05236%0.362CS..PPolyproline II helixtrans-67.1131.717628.5-35.1000111.5T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 3.96Å; P184-T186 HydrophobicContact CG-CG2 4.19Å; P184-T186 PolarHBondContact O-N 2.81Å; P184-A204 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CB 3.9Å; P184-F207 HydrophobicContact CB-CD1 3.97Å; P184-F207 HydrophobicContact CB-CG 4.21Å; P184-I212 HydrophobicContact CB-CD1 3.94Å; P184-I212 HydrophobicContact CG-CD1 4.07Å; P184-V260 HydrophobicContact CG-CG1 3.94Å; P184-H262 HydrophobicContact CG-CB 3.98Å; P184-L265 HydrophobicContact CG-CD1 3.88Å; P184-L265 HydrophobicContact CG-CG 4.24Å
185K98.5Very high95.7Very high159 Ų15978.9 Ų78.969%0.69140%0.4SS*.EExtended strand (participates in β ladder)trans-79.2112.2163.2-64.2171.5-172.3165.70107.8H183 L205H183-K185 PolarHBondContact O-N 3.19Å; K185-L205 PolarHBondContact N-O 2.96Å; K185-L205 PolarHBondContact O-N 3.15Å
186T98.6Very high95.7Very high35 Ų3581 Ų8122%0.21541%0.411CS..EExtended strand (participates in β ladder)trans-111.2143.4-171.852.50000112.3P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 3.96Å; P184-T186 HydrophobicContact CG-CG2 4.19Å; P184-T186 PolarHBondContact O-N 2.81Å; T186-W203 WeakPolarHBondContact CA-O 3.38Å; T186-A204 HydrophobicContact CG2-CB 4.31Å; T186-V260 HydrophobicContact CG2-CB 4.32Å; T186-V260 HydrophobicContact CG2-CG1 4.05Å; T186-V260 HydrophobicContact CG2-CG2 3.96Å; T186-L269 HydrophobicContact CG2-CD1 4.38Å; T186-L271 WeakPolarHBondContact OG1-CD2 3.46Å
187H98.5Very high95.9Very high78 Ų7877.7 Ų77.736%0.36140%0.396SS..EExtended strand (participates in β ladder)trans-159.5158.5171.863.8-75000110.2W203H187-W203 VanDerWaalsContact CE1-CB 3.44Å; H187-W203 WeakPolarHBondContact CE1-CB 3.4Å; H187-W203 AromaticContact CE1-CD1 3.95Å; H187-W203 AromaticContact CE1-CG 3.72Å; H187-W203 PolarHBondContact N-O 3.45Å; H187-W203 AromaticContact NE2-CD1 3.56Å; H187-W203 AromaticContact NE2-CG 3.8Å; H187-W203 PolarHBondContact O-N 2.99Å
188V98.7Very high96.1Very high23 Ų2374.2 Ų74.214%0.13937%0.374CS..EExtended strand (participates in β ladder)trans-109133.6174.7-178.80000109L200 R201 C202 W216 L271 W273V188-L200 HydrophobicContact CG1-CB 4.41Å; V188-L200 HydrophobicContact CG1-CD2 4.39Å; V188-R201 CarbonylContact C-O 3.57Å; V188-R201 WeakPolarHBondContact CA-O 3.22Å; V188-C202 HydrophobicContact CG2-CB 4.46Å; V188-W216 HydrophobicContact CG1-CH2 3.86Å; V188-W216 HydrophobicContact CG1-CZ2 4.25Å; V188-W216 HydrophobicContact CG2-CH2 4.2Å; V188-L271 HydrophobicContact CG2-CB 3.85Å; V188-W273 HydrophobicContact CG1-CB 3.91Å
189T98.4Very high96.3Very high32 Ų3275 Ų7520%0.19638%0.379CS..EExtended strand (participates in β ladder)trans-111144.817450.70000109.6H191 L200 R201 W203T189-H191 PolarHBondContact OG1-NE2 2.64Å; T189-L200 WeakPolarHBondContact O-CA 3.35Å; T189-R201 PolarHBondContact N-O 3.45Å; T189-R201 PolarHBondContact O-N 2.84Å; T189-R201 WeakPolarHBondContact OG1-CB 3.42Å; T189-R201 PolarHBondContact OG1-O 2.85Å; T189-R201 VanDerWaalsContact OG1-O 3.12Å; T189-W203 PolarHBondContact OG1-NE1 2.76Å
190H97.9Very high96.6Very high46 Ų4669.9 Ų69.921%0.21336%0.355CS..EExtended strand (participates in β ladder)trans-119.3127.1-179.5170.5-93.4000109.7A198 T199 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 3.48Å; H190-T199 WeakPolarHBondContact CA-O 3.5Å; H190-L200 HydrophobicContact CB-CD2 4.03Å; H190-E253 IonicContact NE2-OE1 3.82Å; H190-W273 HydrophobicContact CB-CD2 3.84Å; H190-W273 VanDerWaalsContact CB-CE2 3.44Å; H190-W273 HydrophobicContact CB-CG 3.95Å; H190-W273 HydrophobicContact CB-CZ2 3.96Å; H190-W273 VanDerWaalsContact CB-NE1 3.33Å; H190-W273 AromaticContact CG-CE2 3.7Å; H190-W273 AromaticContact CG-CZ2 3.76Å; H190-W273 AromaticContact ND1-CZ2 3.79Å
191H96.9Very high96.9Very high81 Ų8165.3 Ų65.338%0.37534%0.338SS..EExtended strand (participates in β ladder)trans-129.4104.1-178.4-58.1-69.5000109.8T189 V193 A198 T199 R201T189-H191 PolarHBondContact OG1-NE2 2.64Å; H191-V193 PolarHBondContact O-N 3.24Å; H191-A198 CarbonylContact O-C 3.55Å; H191-A198 WeakPolarHBondContact O-CA 3.36Å; H191-T199 PolarHBondContact N-O 2.8Å; H191-T199 PolarHBondContact O-N 2.78Å; H191-R201 PolarHBondContact CD2-NH1 2.82Å; H191-R201 VanDerWaalsContact CD2-NH1 3.28Å; H191-R201 PolarHBondContact NE2-NH1 3.15Å; H191-R201 VanDerWaalsContact NE2-NH1 3.12Å
192P95.8Very high97Very high99 Ų9964.1 Ų64.164%0.64333%0.328SS*.EExtended strand (participates in β ladder)trans-57.2130.6172.9-21.631.6000110.8
193V94.1Very high97.2Very high94 Ų9463 Ų6357%0.5732%0.321SS*.  trans-105.2-40.4176.7-178.80000110.1H191 E197 T199H191-V193 PolarHBondContact O-N 3.24Å; V193-E197 PolarHBondContact N-O 2.82Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.04Å
194S94.6Very high97.3Very high52 Ų5258.2 Ų58.236%0.36430%0.299SS..SBendtrans-147.2-178.2175.2730000110.5H196 E197S194-H196 PolarHBondContact O-N 3.26Å; S194-H196 PolarHBondContact OG-N 2.88Å; S194-H196 VanDerWaalsContact OG-N 3.15Å; S194-E197 PolarHBondContact N-O 2.99Å; S194-E197 VanDerWaalsContact O-O 3.14Å; S194-E197 PolarHBondContact OG-N 3.07Å
195D92.1Very high97.3Very high154 Ų15460.5 Ų60.582%0.82431%0.31SS*.SBendtrans-66.3-9.6172.3-65.2-20.8000113.3
196H94.8Very high97.3Very high146 Ų14653.8 Ų53.868%0.67629%0.286SS*.SBendtrans-116.8-15.9-175.5-55.3-45.3000113.4S194 P249 S250S194-H196 PolarHBondContact O-N 3.26Å; S194-H196 PolarHBondContact OG-N 2.88Å; S194-H196 VanDerWaalsContact OG-N 3.15Å; H196-P249 CarbonylContact O-C 3.59Å; H196-P249 WeakPolarHBondContact O-CA 3.34Å; H196-S250 VanDerWaalsContact C-OG 3.24Å; H196-S250 PolarHBondContact O-N 3.33Å
197E96.3Very high97.2Very high95 Ų9552.1 Ų52.144%0.44428%0.276SS..EExtended strand (participates in β ladder)trans-143.9145.2-169.9-66.8179161.400112.2V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 2.82Å; S194-E197 PolarHBondContact N-O 2.99Å; S194-E197 VanDerWaalsContact O-O 3.14Å; S194-E197 PolarHBondContact OG-N 3.07Å; E197-V247 HydrophobicContact CB-CG1 4.01Å; E197-V247 HydrophobicContact CG-CG1 4.24Å; E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.5Å; E197-S250 PolarHBondContact N-OG 3.02Å
198A97.4Very high97.2Very high1 Ų149.1 Ų49.11%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-134155.6170.300000110.8H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.48Å; H191-A198 CarbonylContact O-C 3.55Å; H191-A198 WeakPolarHBondContact O-CA 3.36Å; A198-V247 WeakPolarHBondContact O-CA 3.46Å; A198-V248 PolarHBondContact N-O 2.04Å; A198-V248 PolarHBondContact O-N 3.07Å
199T98.3Very high97.2Very high21 Ų2148.9 Ų48.913%0.12926%0.26CS..EExtended strand (participates in β ladder)trans-94.6122.8169-55.10000109.4H190 H191 V193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.5Å; H191-T199 PolarHBondContact N-O 2.8Å; H191-T199 PolarHBondContact O-N 2.78Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.04Å; T199-A245 HydrophobicContact CG2-CB 3.9Å; T199-V246 WeakPolarHBondContact CA-O 3.5Å
200L98.6Very high97.2Very high0 Ų048.1 Ų48.10%026%0.257CS..EExtended strand (participates in β ladder)trans-93.4124.9163.6-63.4-176.6000108.7V188 T189 H190 W216 A245 V246 V248 E253 Y256 W273V188-L200 HydrophobicContact CG1-CB 4.41Å; V188-L200 HydrophobicContact CG1-CD2 4.39Å; T189-L200 WeakPolarHBondContact O-CA 3.35Å; H190-L200 HydrophobicContact CB-CD2 4.03Å; L200-W216 HydrophobicContact CB-CH2 3.72Å; L200-W216 HydrophobicContact CB-CZ2 3.76Å; L200-W216 HydrophobicContact CB-CZ3 4.5Å; L200-W216 HydrophobicContact CD1-CH2 4.04Å; L200-W216 HydrophobicContact CD1-CZ3 4.2Å; L200-A245 CarbonylContact O-C 3.51Å; L200-A245 WeakPolarHBondContact O-CA 3.33Å; L200-V246 HydrophobicContact CB-CG2 4.19Å; L200-V246 PolarHBondContact N-O 3.3Å; L200-V246 PolarHBondContact O-N 3.29Å; L200-V248 HydrophobicContact CD1-CG1 4Å; L200-V248 HydrophobicContact CD1-CG2 4.04Å; L200-V248 HydrophobicContact CG-CG1 4.15Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; L200-E253 HydrophobicContact CD1-CB 4.17Å; L200-E253 HydrophobicContact CD2-CG 4.36Å; L200-Y256 HydrophobicContact CD1-CG 4.44Å; L200-W273 HydrophobicContact CD2-CB 3.9Å; L200-W273 HydrophobicContact CD2-CG 4.15Å
201R98.7Very high97.2Very high53 Ų5353 Ų5320%0.228%0.28CS..EExtended strand (participates in β ladder)trans-121.9117.3176.6-179-178.1-61.8112.20.6110.5V188 T189 H191 W203 W243 A244 A245V188-R201 CarbonylContact C-O 3.57Å; V188-R201 WeakPolarHBondContact CA-O 3.22Å; T189-R201 PolarHBondContact N-O 3.45Å; T189-R201 PolarHBondContact O-N 2.84Å; T189-R201 WeakPolarHBondContact OG1-CB 3.42Å; T189-R201 PolarHBondContact OG1-O 2.85Å; T189-R201 VanDerWaalsContact OG1-O 3.12Å; H191-R201 PolarHBondContact CD2-NH1 2.82Å; H191-R201 VanDerWaalsContact CD2-NH1 3.28Å; H191-R201 PolarHBondContact NE2-NH1 3.15Å; H191-R201 VanDerWaalsContact NE2-NH1 3.12Å; R201-W203 VanDerWaalsContact CD-CZ2 3.4Å; R201-W203 VanDerWaalsContact CD-NE1 3.33Å; R201-W203 HydrophobicContact CG-CZ2 4.44Å; R201-W243 HydrophobicContact CG-CB 3.98Å; R201-W243 HydrophobicContact CG-CD2 4.14Å; R201-W243 HydrophobicContact CG-CE3 3.94Å; R201-W243 HydrophobicContact CG-CG 4.21Å; R201-A244 WeakPolarHBondContact CA-O 3.33Å; R201-A245 HydrophobicContact CB-CB 4.03Å; R201-A245 HydrophobicContact CG-CB 4.16Å
202C98.7Very high97.2Very high0 Ų049.7 Ų49.70%027%0.265CS..EExtended strand (participates in β ladder)trans-90.4123.4175.2-173.80000109.7V188 W216 W243 A244 C258V188-C202 HydrophobicContact CG2-CB 4.46Å; C202-W216 HydrophobicContact CB-CZ2 3.64Å; C202-W243 CarbonylContact O-C 3.56Å; C202-W243 WeakPolarHBondContact O-CA 3.23Å; C202-W243 VanDerWaalsContact O-CB 3.24Å; C202-W243 WeakPolarHBondContact O-CB 3.41Å; C202-A244 PolarHBondContact N-O 2.85Å; C202-A244 PolarHBondContact O-N 3.46Å; C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.38Å; C202-C258 WeakPolarHBondContact SG-CB 3.43Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 3.2Å
203W98.8Very high97.4Very high46 Ų4647.7 Ų47.717%0.17425%0.251CS..EExtended strand (participates in β ladder)trans-105.6143-179.8-71.791000110.9T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.38Å; H187-W203 VanDerWaalsContact CE1-CB 3.44Å; H187-W203 WeakPolarHBondContact CE1-CB 3.4Å; H187-W203 AromaticContact CE1-CD1 3.95Å; H187-W203 AromaticContact CE1-CG 3.72Å; H187-W203 PolarHBondContact N-O 3.45Å; H187-W203 AromaticContact NE2-CD1 3.56Å; H187-W203 AromaticContact NE2-CG 3.8Å; H187-W203 PolarHBondContact O-N 2.99Å; T189-W203 PolarHBondContact OG1-NE1 2.76Å; R201-W203 VanDerWaalsContact CD-CZ2 3.4Å; R201-W203 VanDerWaalsContact CD-NE1 3.33Å; R201-W203 HydrophobicContact CG-CZ2 4.44Å; W203-L205 HydrophobicContact CE3-CD2 3.84Å; W203-L205 HydrophobicContact CZ3-CD2 4.36Å; W203-W243 HydrophobicContact CD2-CB 3.9Å; W203-W243 HydrophobicContact CD2-CG 4.44Å; W203-W243 HydrophobicContact CE3-CB 3.84Å; W203-W243 AromaticContact CE3-CD1 3.9Å; W203-W243 HydrophobicContact CE3-CG 4.2Å; W203-W243 HydrophobicContact CG-CB 4.36Å; W203-W243 AromaticContact CH2-CD1 3.5Å; W203-W243 VanDerWaalsContact CH2-CD1 3.5Å; W203-W243 HydrophobicContact CH2-CG 4.16Å; W203-W243 AromaticContact CH2-NE1 3.98Å; W203-W243 HydrophobicContact CZ2-CG 4.39Å; W203-W243 HydrophobicContact CZ3-CB 4.22Å; W203-W243 AromaticContact CZ3-CD1 3.37Å; W203-W243 HydrophobicContact CZ3-CG 4.07Å
204A98.8Very high97.6Very high0 Ų043.5 Ų43.50%023%0.226CC..EExtended strand (participates in β ladder)trans-125.512416200000107.9P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.86Å; T186-A204 HydrophobicContact CG2-CB 4.31Å; A204-F207 HydrophobicContact CB-CD1 4.04Å; A204-F207 HydrophobicContact CB-CE1 3.8Å; A204-F207 WeakPolarHBondContact O-CE1 3.44Å; A204-I212 HydrophobicContact CB-CD1 3.62Å; A204-L214 HydrophobicContact CB-CD1 4.08Å; A204-L214 HydrophobicContact CB-CD2 4.15Å; A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.49Å; A204-K242 PolarHBondContact N-O 3.24Å; A204-K242 PolarHBondContact O-N 3.49Å; A204-K242 VanDerWaalsContact O-O 3.11Å
205L98.6Very high97.8Very high55 Ų5543 Ų4329%0.28822%0.22SC..EExtended strand (participates in β ladder)trans-131147.8-175.4-58.6176.9000111K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 2.96Å; K185-L205 PolarHBondContact O-N 3.15Å; W203-L205 HydrophobicContact CE3-CD2 3.84Å; W203-L205 HydrophobicContact CZ3-CD2 4.36Å; L205-F207 PolarHBondContact O-N 3.04Å; L205-Q241 HydrophobicContact CD2-CB 3.58Å
206G98Very high98.1Very high18 Ų1835.7 Ų35.719%0.18618%0.181CC..EExtended strand (participates in β ladder)trans68.434.6168.600000113.5F240G206-F240 PolarHBondContact N-O 2.89Å
207F98.4Very high98.2Very high0 Ų030.6 Ų30.60%016%0.157CC..EExtended strand (participates in β ladder)trans-104.6152.2178.859.1-89.7000112.2E182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262E182-F207 WeakPolarHBondContact O-CA 3.41Å; E182-F207 WeakPolarHBondContact O-CB 3.06Å; P184-F207 HydrophobicContact CB-CB 3.9Å; P184-F207 HydrophobicContact CB-CD1 3.97Å; P184-F207 HydrophobicContact CB-CG 4.21Å; A204-F207 HydrophobicContact CB-CD1 4.04Å; A204-F207 HydrophobicContact CB-CE1 3.8Å; A204-F207 WeakPolarHBondContact O-CE1 3.44Å; L205-F207 PolarHBondContact O-N 3.04Å; F207-P209 WeakPolarHBondContact CD2-O 3.47Å; F207-I212 HydrophobicContact CD1-CD1 3.84Å; F207-I212 HydrophobicContact CD2-CB 4.26Å; F207-I212 HydrophobicContact CD2-CD1 3.98Å; F207-I212 HydrophobicContact CD2-CG2 4.49Å; F207-I212 HydrophobicContact CE1-CD1 3.79Å; F207-I212 HydrophobicContact CE1-CG2 4.44Å; F207-I212 HydrophobicContact CE2-CB 3.79Å; F207-I212 HydrophobicContact CE2-CD1 3.95Å; F207-I212 HydrophobicContact CE2-CG1 4.46Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 3.95Å; F207-I212 HydrophobicContact CZ-CB 4.17Å; F207-I212 HydrophobicContact CZ-CD1 3.88Å; F207-I212 HydrophobicContact CZ-CG2 3.56Å; F207-T232 HydrophobicContact CE2-CG2 4Å; F207-T232 HydrophobicContact CZ-CG2 3.87Å; F207-T239 CarbonylContact O-C 3.6Å; F207-T239 WeakPolarHBondContact O-CA 3.44Å; F207-F240 VanDerWaalsContact CD1-O 3.3Å; F207-F240 WeakPolarHBondContact CD1-O 3.39Å; F207-F240 HydrophobicContact CD2-CB 3.87Å; F207-F240 HydrophobicContact CE1-CB 4.27Å; F207-F240 WeakPolarHBondContact CE1-O 3.47Å; F207-F240 HydrophobicContact CE2-CB 3.43Å; F207-F240 VanDerWaalsContact CE2-CB 3.43Å; F207-F240 HydrophobicContact CE2-CG 4.42Å; F207-F240 HydrophobicContact CG-CB 4.43Å; F207-F240 HydrophobicContact CZ-CB 3.64Å; F207-F240 PolarHBondContact N-O 3.2Å; F207-F240 WeakPolarHBondContact O-CD2 3.49Å; F207-F240 PolarHBondContact O-N 3.25Å; F207-K242 HydrophobicContact CE1-CB 4.36Å; F207-K242 HydrophobicContact CZ-CB 4.08Å; F207-H262 AromaticContact CD2-CD2 3.87Å; F207-H262 AromaticContact CD2-NE2 3.83Å
208Y97.9Very high98.3Very high16 Ų1629.9 Ų29.96%0.06315%0.151CC..BIsolated β-bridgetrans-148.7136.9172.7176.7-85.7000108.2D29 T30 R180 A181 E182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.8Å; T30-Y208 PolarHBondContact OG1-OH 3.01Å; R180-Y208 WeakPolarHBondContact O-CD1 3.29Å; A181-Y208 CarbonylContact C-O 3.56Å; A181-Y208 VanDerWaalsContact CA-O 3.28Å; A181-Y208 WeakPolarHBondContact CA-O 3.48Å; E182-Y208 PolarHBondContact N-O 3.48Å; E182-Y208 PolarHBondContact O-N 3.12Å; Y208-G238 WeakPolarHBondContact CD2-O 3.44Å; Y208-F240 HydrophobicContact CD2-CE2 4.02Å; Y208-H262 PolarHBondContact O-CE1 3.2Å
209P97.7Very high98.1Very high17 Ų1734.8 Ų34.811%0.1118%0.177CC..SBendcis-71.6179.1-0.930.9-37.5000112.6D29 F207 E211 H262 E263D29-P209 WeakPolarHBondContact OD2-CB 3.16Å; F207-P209 WeakPolarHBondContact CD2-O 3.47Å; P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 3.01Å; P209-H262 PolarHBondContact O-NE2 3.35Å; P209-E263 VanDerWaalsContact CD-CD 3.4Å; P209-E263 WeakPolarHBondContact CD-OE1 3.47Å; P209-E263 VanDerWaalsContact CG-CD 3.42Å; P209-E263 HydrophobicContact CG-CG 3.76Å; P209-E263 WeakPolarHBondContact CG-OE1 3.35Å
210A97.9Very high97.8Very high17 Ų1736 Ų3614%0.1419%0.194CC..SBendtrans-69.3-24.1-174.200000114.2D29 I212 T232 F240D29-A210 WeakPolarHBondContact OD2-CB 3.43Å; D29-A210 PolarHBondContact OD2-N 2.93Å; A210-I212 PolarHBondContact O-N 2.71Å; A210-T232 HydrophobicContact CB-CG2 4.31Å; A210-F240 HydrophobicContact CB-CD1 3.73Å; A210-F240 HydrophobicContact CB-CD2 3.75Å; A210-F240 HydrophobicContact CB-CE1 3.67Å; A210-F240 HydrophobicContact CB-CE2 3.7Å; A210-F240 HydrophobicContact CB-CG 3.79Å; A210-F240 HydrophobicContact CB-CZ 3.67Å
211E98.1Very high97.8Very high148 Ų14842.3 Ų42.369%0.69222%0.223SC*.  trans-65.2119.2-179.8-172.160.3-151.500110.3P209 H262P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 3.01Å; E211-H262 PolarHBondContact O-CD2 2.86Å
212I98.5Very high97.7Very high12 Ų1244.3 Ų44.36%0.06224%0.238CC..  trans-155.3143.6-178.4-162.4172000110P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 3.94Å; P184-I212 HydrophobicContact CG-CD1 4.07Å; A204-I212 HydrophobicContact CB-CD1 3.62Å; F207-I212 HydrophobicContact CD1-CD1 3.84Å; F207-I212 HydrophobicContact CD2-CB 4.26Å; F207-I212 HydrophobicContact CD2-CD1 3.98Å; F207-I212 HydrophobicContact CD2-CG2 4.49Å; F207-I212 HydrophobicContact CE1-CD1 3.79Å; F207-I212 HydrophobicContact CE1-CG2 4.44Å; F207-I212 HydrophobicContact CE2-CB 3.79Å; F207-I212 HydrophobicContact CE2-CD1 3.95Å; F207-I212 HydrophobicContact CE2-CG1 4.46Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 3.95Å; F207-I212 HydrophobicContact CZ-CB 4.17Å; F207-I212 HydrophobicContact CZ-CD1 3.88Å; F207-I212 HydrophobicContact CZ-CG2 3.56Å; A210-I212 PolarHBondContact O-N 2.71Å; I212-L214 HydrophobicContact CB-CD1 4.37Å; I212-L214 HydrophobicContact CD1-CD1 3.68Å; I212-L214 HydrophobicContact CG1-CD1 3.63Å; I212-L214 HydrophobicContact CG2-CD1 3.94Å; I212-K242 HydrophobicContact CG2-CB 4.3Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; I212-V260 HydrophobicContact CD1-CG1 4.02Å; I212-V260 HydrophobicContact CG1-CG1 4.32Å; I212-Q261 VanDerWaalsContact CG1-O 3.27Å; I212-Q261 WeakPolarHBondContact CG1-O 3.2Å; I212-H262 HydrophobicContact CD1-CB 4.36Å; I212-H262 HydrophobicContact CG1-CB 4.11Å
213T98.4Very high97.5Very high56 Ų5645.7 Ų45.734%0.34424%0.244SC..EExtended strand (participates in β ladder)trans-113.9124.2174.6-55.90000109.6T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.03Å; T213-V260 WeakPolarHBondContact O-CA 3.03Å; T213-Q261 PolarHBondContact N-O 3.31Å; T213-Q261 PolarHBondContact O-N 3.03Å
214L98.4Very high97.3Very high7 Ų748.6 Ų48.64%0.03727%0.267CS..EExtended strand (participates in β ladder)trans-120122171.6-81.162.6000108A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.08Å; A204-L214 HydrophobicContact CB-CD2 4.15Å; I212-L214 HydrophobicContact CB-CD1 4.37Å; I212-L214 HydrophobicContact CD1-CD1 3.68Å; I212-L214 HydrophobicContact CG1-CD1 3.63Å; I212-L214 HydrophobicContact CG2-CD1 3.94Å; L214-L229 HydrophobicContact CB-CD1 4.24Å; L214-K242 HydrophobicContact CD1-CD 4.1Å; L214-K242 HydrophobicContact CD2-CB 4.3Å; L214-K242 HydrophobicContact CD2-CD 4.49Å; L214-K242 HydrophobicContact CD2-CG 4.37Å; L214-A244 HydrophobicContact CB-CB 3.99Å; L214-A244 HydrophobicContact CD2-CB 4.33Å; L214-H259 WeakPolarHBondContact CA-O 3.48Å; L214-V260 HydrophobicContact CD1-CG1 4.29Å; L214-V260 HydrophobicContact CG-CG2 4.37Å
215T98.4Very high97.1Very high40 Ų4057.6 Ų57.625%0.24531%0.309CS..EExtended strand (participates in β ladder)trans-131.614617656.10000111.1T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.03Å; T215-C258 CarbonylContact O-C 3.56Å; T215-C258 WeakPolarHBondContact O-CA 3.46Å; T215-H259 PolarHBondContact N-O 3.32Å; T215-H259 PolarHBondContact O-N 2.9Å
216W98.6Very high96.8Very high1 Ų160.4 Ų60.40%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-100.7138.5167.8-82.6105.2000109.8V188 L200 C202 Q223 A244 V246 T257 C258V188-W216 HydrophobicContact CG1-CH2 3.86Å; V188-W216 HydrophobicContact CG1-CZ2 4.25Å; V188-W216 HydrophobicContact CG2-CH2 4.2Å; L200-W216 HydrophobicContact CB-CH2 3.72Å; L200-W216 HydrophobicContact CB-CZ2 3.76Å; L200-W216 HydrophobicContact CB-CZ3 4.5Å; L200-W216 HydrophobicContact CD1-CH2 4.04Å; L200-W216 HydrophobicContact CD1-CZ3 4.2Å; C202-W216 HydrophobicContact CB-CZ2 3.64Å; W216-Q223 HydrophobicContact CB-CB 4.31Å; W216-Q223 PolarHBondContact O-N 3.37Å; W216-A244 PolarHBondContact NE1-O 3.11Å; W216-V246 HydrophobicContact CB-CG1 3.71Å; W216-V246 HydrophobicContact CB-CG2 4.37Å; W216-V246 HydrophobicContact CD2-CG1 4.47Å; W216-V246 HydrophobicContact CD2-CG2 3.68Å; W216-V246 HydrophobicContact CE3-CG2 4.12Å; W216-V246 HydrophobicContact CG-CB 4.4Å; W216-V246 HydrophobicContact CG-CG1 3.69Å; W216-V246 HydrophobicContact CG-CG2 3.8Å; W216-V246 HydrophobicContact CZ2-CG2 4.42Å; W216-T257 CarbonylContact C-O 3.58Å; W216-T257 WeakPolarHBondContact CA-O 3.06Å; W216-C258 HydrophobicContact CD2-CB 4.14Å; W216-C258 HydrophobicContact CE3-CB 4.08Å; W216-C258 HydrophobicContact CH2-CB 3.96Å; W216-C258 HydrophobicContact CZ2-CB 4.02Å; W216-C258 HydrophobicContact CZ3-CB 3.99Å
217Q98.4Very high96.8Very high39 Ų3960.7 Ų60.718%0.18232%0.323CS..EExtended strand (participates in β ladder)trans-121.9145.8171.8-72.9-176.6-9.300110.7E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.52Å; Q217-E221 WeakPolarHBondContact CA-O 3.48Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.14Å; Q217-D222 PolarHBondContact NE2-OD1 2.86Å; Q217-Y256 CarbonylContact O-C 3.59Å; Q217-Y256 VanDerWaalsContact O-CA 3.25Å; Q217-Y256 WeakPolarHBondContact O-CA 3.48Å; Q217-T257 PolarHBondContact N-O 2.89Å; Q217-T257 PolarHBondContact O-N 3.14Å; Q217-H259 VanDerWaalsContact CD-NE2 3.26Å; Q217-H259 PolarHBondContact OE1-NE2 3.27Å
218W96.7Very high96.7Very high80 Ų8066.2 Ų66.230%0.30335%0.349SS..EExtended strand (participates in β ladder)trans-117.2116.5169.4176.969.3000108.3G220 E221 Q223 R255 Y256W218-G220 PolarHBondContact O-N 3.34Å; W218-E221 PolarHBondContact N-O 3.2Å; W218-E221 PolarHBondContact O-N 3.01Å; W218-Q223 HydrophobicContact CB-CG 3.99Å; W218-R255 VanDerWaalsContact CZ2-NH1 3.31Å; W218-Y256 HydrophobicContact CB-CD1 4.21Å; W218-Y256 HydrophobicContact CB-CE1 3.93Å; W218-Y256 AromaticContact CD1-CE2 3.56Å; W218-Y256 AromaticContact CD1-CZ 3.55Å; W218-Y256 HydrophobicContact CG-CE1 4.22Å; W218-Y256 HydrophobicContact CG-CE2 4.49Å
219D94.9Very high96.7Very high104 Ų10469.6 Ų69.656%0.55637%0.367SS*.THydrogen-bonded Turntrans48.630.8-172.6-68.8-16.3000114.4R255D219-R255 PolarHBondContact N-O 3.23Å; D219-R255 VanDerWaalsContact N-O 3.15Å; D219-R255 IonicContact OD1-NE 2.69Å; D219-R255 PolarHBondContact OD1-NE 3Å; D219-R255 IonicContact OD2-CZ 3.91Å; D219-R255 VanDerWaalsContact OD2-CZ 3.22Å; D219-R255 IonicContact OD2-NE 3.64Å; D219-R255 PolarHBondContact OD2-NE 3.44Å; D219-R255 IonicContact OD2-NH2 3.9Å; D219-R255 PolarHBondContact OD2-NH2 2.65Å
220G92.3Very high96.7Very high47 Ų4770.4 Ų70.449%0.48537%0.372SS..THydrogen-bonded Turntrans93.2-2.3-179.800000115.4W218W218-G220 PolarHBondContact O-N 3.34Å
221E96.6Very high96.8Very high133 Ų13377.9 Ų77.962%0.62140%0.404SS*.EExtended strand (participates in β ladder)trans-97.4128177.5-62.8-170.3171.300112.1Q217 W218 Q223Q217-E221 CarbonylContact C-O 3.52Å; Q217-E221 WeakPolarHBondContact CA-O 3.48Å; W218-E221 PolarHBondContact N-O 3.2Å; W218-E221 PolarHBondContact O-N 3.01Å; E221-Q223 PolarHBondContact O-N 3.02Å; E221-Q223 PolarHBondContact O-NE2 3.3Å
222D96.8Very high96.8Very high94 Ų9473 Ų7350%0.50338%0.384SS..EExtended strand (participates in β ladder)trans-63.1130.8-178.4-70.8-17.4000112.6Q217 T224Q217-D222 WeakPolarHBondContact CG-OD1 3.14Å; Q217-D222 PolarHBondContact NE2-OD1 2.86Å; D222-T224 PolarHBondContact O-N 3.01Å
223Q96.2Very high96.8Very high30 Ų3077.1 Ų77.114%0.1440%0.399CS..  trans-99.940.6-176.7-58.9-59.4-65.100112.5W216 W218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.31Å; W216-Q223 PolarHBondContact O-N 3.37Å; W218-Q223 HydrophobicContact CB-CG 3.99Å; E221-Q223 PolarHBondContact O-N 3.02Å; E221-Q223 PolarHBondContact O-NE2 3.3Å; Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.34Å; Q223-D226 PolarHBondContact O-N 3.39Å; Q223-T227 WeakPolarHBondContact O-CB 3.37Å; Q223-T227 PolarHBondContact O-N 2.92Å; Q223-T227 PolarHBondContact O-OG1 2.84Å; Q223-V246 HydrophobicContact CB-CG1 4.41Å; Q223-Y256 HydrophobicContact CG-CE1 4.44Å
224T93.1Very high96.7Very high106 Ų10679 Ų7965%0.6541%0.412SS*.THydrogen-bonded Turntrans-59.9-34.3-169.3-540000114D222D222-T224 PolarHBondContact O-N 3.01Å
225Q94.1Very high96.7Very high189 Ų18981.1 Ų81.188%0.88343%0.431SS*.THydrogen-bonded Turntrans-76.8-31.3-179.6-66.5-172.4-0.300112.9Q223Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.34Å
226D93.3Very high96.5Very high114 Ų11482.9 Ų82.961%0.6146%0.457SS*.THydrogen-bonded Turntrans-95.3-2.9-176.6-55.6-62000112.6Q223Q223-D226 PolarHBondContact O-N 3.39Å
227T97.2Very high96.3Very high24 Ų2488.5 Ų88.515%0.14749%0.487CS..  trans-88.9119.5178.6-62.20000111.1Q223 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.37Å; Q223-T227 PolarHBondContact O-N 2.92Å; Q223-T227 PolarHBondContact O-OG1 2.84Å; T227-L229 HydrophobicContact CG2-CB 4.42Å; T227-L229 PolarHBondContact O-N 2.64Å; T227-A244 HydrophobicContact CG2-CB 3.88Å; T227-A245 CarbonylContact C-O 3.54Å; T227-A245 WeakPolarHBondContact CA-O 3.44Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.44Å
228E97.9Very high96.1Very high116 Ų11689.1 Ų89.154%0.54250%0.504SS..EExtended strand (participates in β ladder)trans-76.3110.4162.6-173.1-174.7-172.100109.1W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.18Å; E228-W243 HydrophobicContact CG-CH2 3.87Å; E228-W243 HydrophobicContact CG-CZ3 3.83Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.41Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.18Å; E228-A244 CarbonylContact O-C 3.59Å; E228-A244 WeakPolarHBondContact O-CA 3.35Å; E228-A245 HydrophobicContact CB-CB 4.46Å; E228-A245 PolarHBondContact N-O 3.1Å; E228-A245 PolarHBondContact O-N 2.73Å
229L97.9Very high96.2Very high88 Ų8885.9 Ų85.946%0.46149%0.493SS..EExtended strand (participates in β ladder)trans-116.2120.6-179.8-169.969.6000110.4L214 T227 A244L214-L229 HydrophobicContact CB-CD1 4.24Å; T227-L229 HydrophobicContact CG2-CB 4.42Å; T227-L229 PolarHBondContact O-N 2.64Å; L229-A244 HydrophobicContact CD1-CB 3.57Å
230V97.9Very high96.3Very high34 Ų3482.2 Ų82.221%0.20647%0.472CS..PPolyproline II helixtrans-83.3153.7175.3-65.30000112.3K242 W243V230-K242 HydrophobicContact CG2-CG 4.38Å; V230-K242 WeakPolarHBondContact O-CE 3.44Å; V230-K242 PolarHBondContact O-NZ 3.47Å; V230-W243 HydrophobicContact CB-CZ2 4.43Å; V230-W243 HydrophobicContact CG1-CD2 3.96Å; V230-W243 HydrophobicContact CG1-CE3 4.33Å; V230-W243 HydrophobicContact CG1-CH2 3.64Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.18Å; V230-W243 HydrophobicContact CG2-CD2 3.83Å; V230-W243 HydrophobicContact CG2-CG 3.77Å; V230-W243 HydrophobicContact CG2-CZ2 4.48Å; V230-W243 WeakPolarHBondContact CG2-O 3.38Å; V230-W243 PolarHBondContact N-O 3.37Å
231E98Very high96.6Very high173 Ų17382 Ų8281%0.80846%0.459SS*.PPolyproline II helixtrans-56144.7166.1-68.4-174.417300110.8R233E231-R233 PolarHBondContact O-N 2.84Å
232T98.5Very high96.7Very high45 Ų4576.8 Ų76.828%0.27643%0.434SS..PPolyproline II helixtrans-65.6128.8172.5-56.90000108.2F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4Å; F207-T232 HydrophobicContact CZ-CG2 3.87Å; A210-T232 HydrophobicContact CB-CG2 4.31Å; T232-F240 HydrophobicContact CG2-CB 3.82Å; T232-F240 HydrophobicContact CG2-CD1 3.94Å; T232-F240 HydrophobicContact CG2-CG 4.16Å; T232-K242 WeakPolarHBondContact OG1-CD 3.45Å; T232-K242 PolarHBondContact OG1-NZ 3.09Å
233R98.3Very high96.8Very high100 Ų10073.4 Ų73.438%0.37741%0.414SS..EExtended strand (participates in β ladder)trans-126.6145-173.567.7-170-177.7-170.22.2111.4E231 F240 Q241E231-R233 PolarHBondContact O-N 2.84Å; R233-F240 WeakPolarHBondContact O-CA 3.34Å; R233-Q241 HydrophobicContact CG-CG 3.53Å; R233-Q241 PolarHBondContact N-O 2.84Å; R233-Q241 WeakPolarHBondContact O-CG 3.39Å; R233-Q241 PolarHBondContact O-N 3.09Å
234P98Very high97Very high94 Ų9472 Ų7261%0.6141%0.408SS*.EExtended strand (participates in β ladder)trans-69.2144.617928.9-34.8000111.2F240P234-F240 HydrophobicContact CB-CE1 4.37Å
235A97.5Very high97.2Very high52 Ų5267 Ų6743%0.4338%0.377SS..  trans-87-19.2172.600000112.7D237 T239A235-D237 WeakPolarHBondContact CB-OD1 3.26Å; A235-T239 WeakPolarHBondContact CB-O 3.45Å; A235-T239 WeakPolarHBondContact CB-OG1 2.97Å; A235-T239 PolarHBondContact N-O 2.89Å
236G95.2Very high97.4Very high78 Ų7858.2 Ų58.280%0.80434%0.337SS*.SBendtrans96.3-4.8178.900000114.8
237D94.4Very high97.6Very high118 Ų11856.6 Ų56.663%0.63133%0.331SS*.SBendtrans-106.511.3176.660.51.9000113.1A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.26Å; D237-T239 WeakPolarHBondContact OD1-CB 3.26Å; D237-T239 PolarHBondContact OD1-N 3.07Å; D237-T239 PolarHBondContact OD1-OG1 2.84Å
238G93.6Very high97.6Very high53 Ų5355.5 Ų55.555%0.54632%0.324SS..SBendtrans95.3-10.1-173.600000113.8Y208Y208-G238 WeakPolarHBondContact CD2-O 3.44Å
239T97.7Very high97.6Very high11 Ų1152.4 Ų52.47%0.06731%0.314CS..  trans-100.2172.8177.474.60000112.9E182 F207 A235 D237E182-T239 WeakPolarHBondContact OE2-CG2 3.49Å; F207-T239 CarbonylContact O-C 3.6Å; F207-T239 WeakPolarHBondContact O-CA 3.44Å; A235-T239 WeakPolarHBondContact CB-O 3.45Å; A235-T239 WeakPolarHBondContact CB-OG1 2.97Å; A235-T239 PolarHBondContact N-O 2.89Å; D237-T239 WeakPolarHBondContact OD1-CB 3.26Å; D237-T239 PolarHBondContact OD1-N 3.07Å; D237-T239 PolarHBondContact OD1-OG1 2.84Å
240F98.6Very high97.4Very high28 Ų2851 Ų5112%0.12331%0.311CS..EExtended strand (participates in β ladder)trans-121.1163.1-178.5-63.6-87.6000112.1D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.81Å; D29-F240 HydrophobicContact CB-CZ 3.78Å; G206-F240 PolarHBondContact N-O 2.89Å; F207-F240 VanDerWaalsContact CD1-O 3.3Å; F207-F240 WeakPolarHBondContact CD1-O 3.39Å; F207-F240 HydrophobicContact CD2-CB 3.87Å; F207-F240 HydrophobicContact CE1-CB 4.27Å; F207-F240 WeakPolarHBondContact CE1-O 3.47Å; F207-F240 HydrophobicContact CE2-CB 3.43Å; F207-F240 VanDerWaalsContact CE2-CB 3.43Å; F207-F240 HydrophobicContact CE2-CG 4.42Å; F207-F240 HydrophobicContact CG-CB 4.43Å; F207-F240 HydrophobicContact CZ-CB 3.64Å; F207-F240 PolarHBondContact N-O 3.2Å; F207-F240 WeakPolarHBondContact O-CD2 3.49Å; F207-F240 PolarHBondContact O-N 3.25Å; Y208-F240 HydrophobicContact CD2-CE2 4.02Å; A210-F240 HydrophobicContact CB-CD1 3.73Å; A210-F240 HydrophobicContact CB-CD2 3.75Å; A210-F240 HydrophobicContact CB-CE1 3.67Å; A210-F240 HydrophobicContact CB-CE2 3.7Å; A210-F240 HydrophobicContact CB-CG 3.79Å; A210-F240 HydrophobicContact CB-CZ 3.67Å; T232-F240 HydrophobicContact CG2-CB 3.82Å; T232-F240 HydrophobicContact CG2-CD1 3.94Å; T232-F240 HydrophobicContact CG2-CG 4.16Å; R233-F240 WeakPolarHBondContact O-CA 3.34Å; P234-F240 HydrophobicContact CB-CE1 4.37Å
241Q98.6Very high97.3Very high43 Ų4352.6 Ų52.620%0.20133%0.334CS..EExtended strand (participates in β ladder)trans-141.2147.3174.448.4171-30.700110.2A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.49Å; L205-Q241 HydrophobicContact CD2-CB 3.58Å; R233-Q241 HydrophobicContact CG-CG 3.53Å; R233-Q241 PolarHBondContact N-O 2.84Å; R233-Q241 WeakPolarHBondContact O-CG 3.39Å; R233-Q241 PolarHBondContact O-N 3.09Å
242K98.8Very high97.2Very high22 Ų2247.3 Ų47.310%0.09631%0.31CS..EExtended strand (participates in β ladder)trans-151.6154.7176.9-162.4-176.2-173.269.90109.1A204 F207 I212 L214 V230 T232A204-K242 PolarHBondContact N-O 3.24Å; A204-K242 PolarHBondContact O-N 3.49Å; A204-K242 VanDerWaalsContact O-O 3.11Å; F207-K242 HydrophobicContact CE1-CB 4.36Å; F207-K242 HydrophobicContact CZ-CB 4.08Å; I212-K242 HydrophobicContact CG2-CB 4.3Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; L214-K242 HydrophobicContact CD1-CD 4.1Å; L214-K242 HydrophobicContact CD2-CB 4.3Å; L214-K242 HydrophobicContact CD2-CD 4.49Å; L214-K242 HydrophobicContact CD2-CG 4.37Å; V230-K242 HydrophobicContact CG2-CG 4.38Å; V230-K242 WeakPolarHBondContact O-CE 3.44Å; V230-K242 PolarHBondContact O-NZ 3.47Å; T232-K242 WeakPolarHBondContact OG1-CD 3.45Å; T232-K242 PolarHBondContact OG1-NZ 3.09Å
243W98.7Very high97.1Very high24 Ų2446.2 Ų46.29%0.09130%0.302CS..EExtended strand (participates in β ladder)trans-142.8156168.559.5-98.4000111.5R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 3.98Å; R201-W243 HydrophobicContact CG-CD2 4.14Å; R201-W243 HydrophobicContact CG-CE3 3.94Å; R201-W243 HydrophobicContact CG-CG 4.21Å; C202-W243 CarbonylContact O-C 3.56Å; C202-W243 WeakPolarHBondContact O-CA 3.23Å; C202-W243 VanDerWaalsContact O-CB 3.24Å; C202-W243 WeakPolarHBondContact O-CB 3.41Å; W203-W243 HydrophobicContact CD2-CB 3.9Å; W203-W243 HydrophobicContact CD2-CG 4.44Å; W203-W243 HydrophobicContact CE3-CB 3.84Å; W203-W243 AromaticContact CE3-CD1 3.9Å; W203-W243 HydrophobicContact CE3-CG 4.2Å; W203-W243 HydrophobicContact CG-CB 4.36Å; W203-W243 AromaticContact CH2-CD1 3.5Å; W203-W243 VanDerWaalsContact CH2-CD1 3.5Å; W203-W243 HydrophobicContact CH2-CG 4.16Å; W203-W243 AromaticContact CH2-NE1 3.98Å; W203-W243 HydrophobicContact CZ2-CG 4.39Å; W203-W243 HydrophobicContact CZ3-CB 4.22Å; W203-W243 AromaticContact CZ3-CD1 3.37Å; W203-W243 HydrophobicContact CZ3-CG 4.07Å; E228-W243 HydrophobicContact CB-CZ3 4.18Å; E228-W243 HydrophobicContact CG-CH2 3.87Å; E228-W243 HydrophobicContact CG-CZ3 3.83Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.41Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.18Å; V230-W243 HydrophobicContact CB-CZ2 4.43Å; V230-W243 HydrophobicContact CG1-CD2 3.96Å; V230-W243 HydrophobicContact CG1-CE3 4.33Å; V230-W243 HydrophobicContact CG1-CH2 3.64Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.18Å; V230-W243 HydrophobicContact CG2-CD2 3.83Å; V230-W243 HydrophobicContact CG2-CG 3.77Å; V230-W243 HydrophobicContact CG2-CZ2 4.48Å; V230-W243 WeakPolarHBondContact CG2-O 3.38Å; V230-W243 PolarHBondContact N-O 3.37Å; W243-A245 HydrophobicContact CE3-CB 3.92Å; W243-A245 HydrophobicContact CZ3-CB 3.64Å
244A98.6Very high97Very high0 Ų046.6 Ų46.60%031%0.308CS..EExtended strand (participates in β ladder)trans-128.6132.717400000108.5R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.33Å; C202-A244 PolarHBondContact N-O 2.85Å; C202-A244 PolarHBondContact O-N 3.46Å; L214-A244 HydrophobicContact CB-CB 3.99Å; L214-A244 HydrophobicContact CD2-CB 4.33Å; W216-A244 PolarHBondContact NE1-O 3.11Å; T227-A244 HydrophobicContact CG2-CB 3.88Å; E228-A244 CarbonylContact O-C 3.59Å; E228-A244 WeakPolarHBondContact O-CA 3.35Å; L229-A244 HydrophobicContact CD1-CB 3.57Å
245A98.5Very high97Very high2 Ų246 Ų462%0.01729%0.293CS..EExtended strand (participates in β ladder)trans-127.5145.6-179.800000112.4T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.9Å; L200-A245 CarbonylContact O-C 3.51Å; L200-A245 WeakPolarHBondContact O-CA 3.33Å; R201-A245 HydrophobicContact CB-CB 4.03Å; R201-A245 HydrophobicContact CG-CB 4.16Å; T227-A245 CarbonylContact C-O 3.54Å; T227-A245 WeakPolarHBondContact CA-O 3.44Å; E228-A245 HydrophobicContact CB-CB 4.46Å; E228-A245 PolarHBondContact N-O 3.1Å; E228-A245 PolarHBondContact O-N 2.73Å; W243-A245 HydrophobicContact CE3-CB 3.92Å; W243-A245 HydrophobicContact CZ3-CB 3.64Å
246V98.2Very high97Very high4 Ų444.5 Ų44.52%0.02428%0.277CS..EExtended strand (participates in β ladder)trans-130.8145.5172.8-72.80000109.2T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.5Å; L200-V246 HydrophobicContact CB-CG2 4.19Å; L200-V246 PolarHBondContact N-O 3.3Å; L200-V246 PolarHBondContact O-N 3.29Å; W216-V246 HydrophobicContact CB-CG1 3.71Å; W216-V246 HydrophobicContact CB-CG2 4.37Å; W216-V246 HydrophobicContact CD2-CG1 4.47Å; W216-V246 HydrophobicContact CD2-CG2 3.68Å; W216-V246 HydrophobicContact CE3-CG2 4.12Å; W216-V246 HydrophobicContact CG-CB 4.4Å; W216-V246 HydrophobicContact CG-CG1 3.69Å; W216-V246 HydrophobicContact CG-CG2 3.8Å; W216-V246 HydrophobicContact CZ2-CG2 4.42Å; Q223-V246 HydrophobicContact CB-CG1 4.41Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.44Å; V246-V248 HydrophobicContact CB-CG1 4.35Å; V246-V248 HydrophobicContact CG2-CG1 3.73Å; V246-Y256 HydrophobicContact CG2-CD1 4.04Å; V246-Y256 HydrophobicContact CG2-CE1 4.42Å
247V97.9Very high97.2Very high80 Ų8041.1 Ų41.149%0.48524%0.24SC..EExtended strand (participates in β ladder)trans-88.1128.3167.9-178.30000107.4E197 A198E197-V247 HydrophobicContact CB-CG1 4.01Å; E197-V247 HydrophobicContact CG-CG1 4.24Å; A198-V247 WeakPolarHBondContact O-CA 3.46Å
248V97.2Very high97.4Very high0 Ų035.5 Ų35.50%021%0.21CC..EExtended strand (participates in β ladder)trans-126.9146.4-174.5-52.10000110.4E197 A198 L200 V246 E253 Y256E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.5Å; A198-V248 PolarHBondContact N-O 2.04Å; A198-V248 PolarHBondContact O-N 3.07Å; L200-V248 HydrophobicContact CD1-CG1 4Å; L200-V248 HydrophobicContact CD1-CG2 4.04Å; L200-V248 HydrophobicContact CG-CG1 4.15Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; V246-V248 HydrophobicContact CB-CG1 4.35Å; V246-V248 HydrophobicContact CG2-CG1 3.73Å; V248-E253 HydrophobicContact CG2-CG 4.03Å; V248-Y256 HydrophobicContact CB-CD2 3.97Å; V248-Y256 HydrophobicContact CB-CE2 3.62Å; V248-Y256 HydrophobicContact CG1-CD1 3.8Å; V248-Y256 HydrophobicContact CG1-CD2 3.57Å; V248-Y256 HydrophobicContact CG1-CE1 3.7Å; V248-Y256 HydrophobicContact CG1-CE2 3.48Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.48Å; V248-Y256 HydrophobicContact CG1-CG 3.73Å
249P97.1Very high97.6Very high52 Ų5234.7 Ų34.734%0.33819%0.192SC..EExtended strand (participates in β ladder)trans-62.7139.8170.5-20.132.3000111.3H196 G251 E252H196-P249 CarbonylContact O-C 3.59Å; H196-P249 WeakPolarHBondContact O-CA 3.34Å; P249-G251 PolarHBondContact O-N 3.36Å; P249-E252 HydrophobicContact CB-CB 4.34Å; P249-E252 HydrophobicContact CB-CG 4.13Å; P249-E252 PolarHBondContact O-N 2.84Å; P249-E252 VanDerWaalsContact O-N 3.08Å
250S94.8Very high97.7Very high57 Ų5734.1 Ų34.140%0.39919%0.189SC..THydrogen-bonded Turntrans-60.1128.3175.6-63.10000111.2H196 E197 E253H196-S250 VanDerWaalsContact C-OG 3.24Å; H196-S250 PolarHBondContact O-N 3.33Å; E197-S250 PolarHBondContact N-OG 3.02Å; S250-E253 WeakPolarHBondContact CA-OE1 3.35Å
251G94.6Very high97.7Very high68 Ų6837.9 Ų37.970%0.70121%0.207SC*.THydrogen-bonded Turntrans91.9-6.8-176.200000114.9P249 E253P249-G251 PolarHBondContact O-N 3.36Å; G251-E253 WeakPolarHBondContact CA-OE2 3.35Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 2.92Å; G251-E253 PolarHBondContact N-OE2 3.43Å
252E96.6Very high97.6Very high62 Ų6236.6 Ų36.629%0.2920%0.201SC..  trans-100.84.9176.2-65-159.3-155.900113.7P249 Q254 R255 Y256P249-E252 HydrophobicContact CB-CB 4.34Å; P249-E252 HydrophobicContact CB-CG 4.13Å; P249-E252 PolarHBondContact O-N 2.84Å; P249-E252 VanDerWaalsContact O-N 3.08Å; E252-Q254 PolarHBondContact O-N 3.13Å; E252-Q254 VanDerWaalsContact O-N 3.07Å; E252-R255 WeakPolarHBondContact O-CB 3.35Å; E252-R255 PolarHBondContact O-N 2.9Å; E252-R255 IonicContact OE1-NH1 3.56Å; E252-R255 IonicContact OE2-CZ 3.93Å; E252-R255 IonicContact OE2-NH1 3.28Å; E252-R255 PolarHBondContact OE2-NH1 2.88Å; E252-Y256 HydrophobicContact CB-CE2 4.39Å; E252-Y256 WeakPolarHBondContact O-CD2 3.26Å
253E96.4Very high97.5Very high22 Ų2241.9 Ų41.910%0.10323%0.226CC..G310 helixtrans-57.8-33.9-169.4-57.682.6178.300112.8H190 L200 V248 S250 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 3.82Å; L200-E253 HydrophobicContact CD1-CB 4.17Å; L200-E253 HydrophobicContact CD2-CG 4.36Å; V248-E253 HydrophobicContact CG2-CG 4.03Å; S250-E253 WeakPolarHBondContact CA-OE1 3.35Å; G251-E253 WeakPolarHBondContact CA-OE2 3.35Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 2.92Å; G251-E253 PolarHBondContact N-OE2 3.43Å; E253-R255 VanDerWaalsContact C-N 3.27Å; E253-R255 PolarHBondContact O-N 3.38Å; E253-Y256 PolarHBondContact O-N 2.84Å; E253-W273 HydrophobicContact CB-CE3 3.6Å; E253-W273 HydrophobicContact CB-CZ3 4.09Å; E253-W273 HydrophobicContact CG-CE3 3.74Å; E253-W273 HydrophobicContact CG-CZ3 3.86Å
254Q96.6Very high97.3Very high109 Ų10941.4 Ų41.451%0.50923%0.228SC..G310 helixtrans-72-16.8-179.3-64.7-58.9-47.400114.3E252 Y256 R272 W273E252-Q254 PolarHBondContact O-N 3.13Å; E252-Q254 VanDerWaalsContact O-N 3.07Å; Q254-Y256 VanDerWaalsContact C-N 3.25Å; Q254-R272 PolarHBondContact O-NE 2.93Å; Q254-R272 VanDerWaalsContact O-NE 3.11Å; Q254-W273 PolarHBondContact NE2-O 3.12Å
255R97.4Very high97.3Very high81 Ų8142.7 Ų42.731%0.30624%0.235SC..G310 helixtrans-75.7-19.1173.6-62.3177.971.1-168.80.8112W218 D219 E252 E253W218-R255 VanDerWaalsContact CZ2-NH1 3.31Å; D219-R255 PolarHBondContact N-O 3.23Å; D219-R255 VanDerWaalsContact N-O 3.15Å; D219-R255 IonicContact OD1-NE 2.69Å; D219-R255 PolarHBondContact OD1-NE 3Å; D219-R255 IonicContact OD2-CZ 3.91Å; D219-R255 VanDerWaalsContact OD2-CZ 3.22Å; D219-R255 IonicContact OD2-NE 3.64Å; D219-R255 PolarHBondContact OD2-NE 3.44Å; D219-R255 IonicContact OD2-NH2 3.9Å; D219-R255 PolarHBondContact OD2-NH2 2.65Å; E252-R255 WeakPolarHBondContact O-CB 3.35Å; E252-R255 PolarHBondContact O-N 2.9Å; E252-R255 IonicContact OE1-NH1 3.56Å; E252-R255 IonicContact OE2-CZ 3.93Å; E252-R255 IonicContact OE2-NH1 3.28Å; E252-R255 PolarHBondContact OE2-NH1 2.88Å; E253-R255 VanDerWaalsContact C-N 3.27Å; E253-R255 PolarHBondContact O-N 3.38Å
256Y98.2Very high97.2Very high20 Ų2048.6 Ų48.68%0.07827%0.273CS..EExtended strand (participates in β ladder)trans-92.1129.9-179.8-69.3-95.1000111.2L200 Q217 W218 Q223 V246 V248 E252 E253 Q254L200-Y256 HydrophobicContact CD1-CG 4.44Å; Q217-Y256 CarbonylContact O-C 3.59Å; Q217-Y256 VanDerWaalsContact O-CA 3.25Å; Q217-Y256 WeakPolarHBondContact O-CA 3.48Å; W218-Y256 HydrophobicContact CB-CD1 4.21Å; W218-Y256 HydrophobicContact CB-CE1 3.93Å; W218-Y256 AromaticContact CD1-CE2 3.56Å; W218-Y256 AromaticContact CD1-CZ 3.55Å; W218-Y256 HydrophobicContact CG-CE1 4.22Å; W218-Y256 HydrophobicContact CG-CE2 4.49Å; Q223-Y256 HydrophobicContact CG-CE1 4.44Å; V246-Y256 HydrophobicContact CG2-CD1 4.04Å; V246-Y256 HydrophobicContact CG2-CE1 4.42Å; V248-Y256 HydrophobicContact CB-CD2 3.97Å; V248-Y256 HydrophobicContact CB-CE2 3.62Å; V248-Y256 HydrophobicContact CG1-CD1 3.8Å; V248-Y256 HydrophobicContact CG1-CD2 3.57Å; V248-Y256 HydrophobicContact CG1-CE1 3.7Å; V248-Y256 HydrophobicContact CG1-CE2 3.48Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.48Å; V248-Y256 HydrophobicContact CG1-CG 3.73Å; E252-Y256 HydrophobicContact CB-CE2 4.39Å; E252-Y256 WeakPolarHBondContact O-CD2 3.26Å; E253-Y256 PolarHBondContact O-N 2.84Å; Q254-Y256 VanDerWaalsContact C-N 3.25Å
257T98.4Very high97.1Very high7 Ų755 Ų554%0.04330%0.303CS..EExtended strand (participates in β ladder)trans-123.6131.7173.544.90000110.9W216 Q217 H259 T270 L271 R272W216-T257 CarbonylContact C-O 3.58Å; W216-T257 WeakPolarHBondContact CA-O 3.06Å; Q217-T257 PolarHBondContact N-O 2.89Å; Q217-T257 PolarHBondContact O-N 3.14Å; T257-H259 PolarHBondContact OG1-NE2 2.82Å; T257-T270 HydrophobicContact CG2-CG2 3.77Å; T257-L271 CarbonylContact C-O 3.6Å; T257-L271 VanDerWaalsContact CA-O 3.31Å; T257-L271 WeakPolarHBondContact CA-O 3.44Å; T257-R272 HydrophobicContact CG2-CG 3.64Å; T257-R272 VanDerWaalsContact CG2-NE 3.31Å; T257-R272 VanDerWaalsContact CG2-NH2 3.35Å
258C98.6Very high97.1Very high0 Ų054.9 Ų54.90%030%0.304CS..EExtended strand (participates in β ladder)trans-89.4131.5167.8175.90000109.4C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.38Å; C202-C258 WeakPolarHBondContact SG-CB 3.43Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 3.2Å; T215-C258 CarbonylContact O-C 3.56Å; T215-C258 WeakPolarHBondContact O-CA 3.46Å; W216-C258 HydrophobicContact CD2-CB 4.14Å; W216-C258 HydrophobicContact CE3-CB 4.08Å; W216-C258 HydrophobicContact CH2-CB 3.96Å; W216-C258 HydrophobicContact CZ2-CB 4.02Å; W216-C258 HydrophobicContact CZ3-CB 3.99Å; C258-T270 CarbonylContact O-C 3.54Å; C258-T270 WeakPolarHBondContact O-CA 3.47Å; C258-L271 HydrophobicContact CB-CB 4.34Å; C258-L271 PolarHBondContact N-O 3Å; C258-L271 PolarHBondContact O-N 3.12Å
259H98.5Very high97.2Very high36 Ų3657.6 Ų57.617%0.16732%0.318CS..EExtended strand (participates in β ladder)trans-111.5133.7174.4-64.9-96.9000110.4L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.48Å; T215-H259 PolarHBondContact N-O 3.32Å; T215-H259 PolarHBondContact O-N 2.9Å; Q217-H259 VanDerWaalsContact CD-NE2 3.26Å; Q217-H259 PolarHBondContact OE1-NE2 3.27Å; T257-H259 PolarHBondContact OG1-NE2 2.82Å; H259-L269 CarbonylContact C-O 3.54Å; H259-L269 VanDerWaalsContact CA-O 3.28Å; H259-L269 WeakPolarHBondContact CA-O 3.33Å; H259-T270 PolarHBondContact CE1-OG1 3.35Å; H259-T270 PolarHBondContact ND1-OG1 3.11Å; H259-T270 VanDerWaalsContact ND1-OG1 3.07Å
260V98.7Very high97.2Very high0 Ų058.9 Ų58.90%033%0.325CS..EExtended strand (participates in β ladder)trans-125.6122.6-177.8-174.40000109.6P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.94Å; T186-V260 HydrophobicContact CG2-CB 4.32Å; T186-V260 HydrophobicContact CG2-CG1 4.05Å; T186-V260 HydrophobicContact CG2-CG2 3.96Å; I212-V260 HydrophobicContact CD1-CG1 4.02Å; I212-V260 HydrophobicContact CG1-CG1 4.32Å; T213-V260 WeakPolarHBondContact O-CA 3.03Å; L214-V260 HydrophobicContact CD1-CG1 4.29Å; L214-V260 HydrophobicContact CG-CG2 4.37Å; V260-L265 HydrophobicContact CG1-CD1 4.27Å; V260-P268 WeakPolarHBondContact O-CA 3.4Å; V260-L269 HydrophobicContact CB-CB 4.38Å; V260-L269 PolarHBondContact N-O 3.06Å; V260-L269 PolarHBondContact O-N 2.9Å; V260-L271 HydrophobicContact CG2-CD1 3.71Å
261Q98.6Very high97.4Very high107 Ų10757.6 Ų57.650%0.531%0.314SS..EExtended strand (participates in β ladder)trans-118130.9172.8-57.5177.4-5.500109.4I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.27Å; I212-Q261 WeakPolarHBondContact CG1-O 3.2Å; T213-Q261 PolarHBondContact N-O 3.31Å; T213-Q261 PolarHBondContact O-N 3.03Å; Q261-P268 HydrophobicContact CG-CB 4.02Å; Q261-P268 HydrophobicContact CG-CG 4.12Å
262H98.4Very high97.5Very high15 Ų1561 Ų617%0.06931%0.305CS..  trans-153.4144.7179.1-176.1-95.4000108.4E182 P184 F207 Y208 P209 E211 I212 G264 L265E182-H262 PolarHBondContact O-CE1 3.46Å; P184-H262 HydrophobicContact CG-CB 3.98Å; F207-H262 AromaticContact CD2-CD2 3.87Å; F207-H262 AromaticContact CD2-NE2 3.83Å; Y208-H262 PolarHBondContact O-CE1 3.2Å; P209-H262 PolarHBondContact O-NE2 3.35Å; E211-H262 PolarHBondContact O-CD2 2.86Å; I212-H262 HydrophobicContact CD1-CB 4.36Å; I212-H262 HydrophobicContact CG1-CB 4.11Å; H262-G264 PolarHBondContact ND1-N 3.4Å; H262-G264 PolarHBondContact O-N 3.05Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.18Å; H262-L265 WeakPolarHBondContact O-CB 3.33Å; H262-L265 PolarHBondContact O-N 3.18Å
263E96.1Very high97.3Very high134 Ų13464.9 Ų64.963%0.62632%0.317SS*.THydrogen-bonded Turntrans-63.7-23-176.263.8157-151.200114.1A181 P209 L265A181-E263 HydrophobicContact CB-CG 4.17Å; P209-E263 VanDerWaalsContact CD-CD 3.4Å; P209-E263 WeakPolarHBondContact CD-OE1 3.47Å; P209-E263 VanDerWaalsContact CG-CD 3.42Å; P209-E263 HydrophobicContact CG-CG 3.76Å; P209-E263 WeakPolarHBondContact CG-OE1 3.35Å; E263-L265 VanDerWaalsContact C-N 3.33Å
264G95.1Very high97.3Very high14 Ų1467 Ų6714%0.14433%0.328CS..THydrogen-bonded Turntrans-64.4-43171.900000110.3H183 H262H183-G264 PolarHBondContact CE1-O 3.35Å; H183-G264 PolarHBondContact ND1-O 3.02Å; H262-G264 PolarHBondContact ND1-N 3.4Å; H262-G264 PolarHBondContact O-N 3.05Å
265L97.4Very high97.4Very high27 Ų2764.8 Ų64.814%0.14132%0.318CS..  trans-66.3130.6-171.5-65.8168.9000112.1H183 P184 V260 H262 E263 E267 L269H183-L265 HydrophobicContact CB-CD2 4.1Å; H183-L265 PolarHBondContact ND1-N 3.33Å; P184-L265 HydrophobicContact CG-CD1 3.88Å; P184-L265 HydrophobicContact CG-CG 4.24Å; V260-L265 HydrophobicContact CG1-CD1 4.27Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.18Å; H262-L265 WeakPolarHBondContact O-CB 3.33Å; H262-L265 PolarHBondContact O-N 3.18Å; E263-L265 VanDerWaalsContact C-N 3.33Å; L265-E267 WeakPolarHBondContact CB-O 3.45Å; L265-E267 PolarHBondContact O-N 2.78Å; L265-L269 HydrophobicContact CD1-CD1 4.03Å; L265-L269 HydrophobicContact CD1-CG 3.91Å; L265-L269 HydrophobicContact CD2-CD1 3.75Å; L265-L269 HydrophobicContact CD2-CD2 4.47Å; L265-L269 HydrophobicContact CD2-CG 3.97Å
266P96.2Very high97.4Very high125 Ų12563.9 Ų63.981%0.81232%0.319SS*.SBendtrans-66.9-28.9176.227.8-34.1000112.2
267E96.8Very high97.3Very high139 Ų13966.5 Ų66.565%0.6533%0.333SS*.SBendtrans-145151.8173.762.3-173173.300109.9L265L265-E267 WeakPolarHBondContact CB-O 3.45Å; L265-E267 PolarHBondContact O-N 2.78Å
268P97.7Very high97.3Very high78 Ų7870.2 Ų70.251%0.50635%0.351SS..  trans-55.7142.2174.4-25.335.4000112.2V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.4Å; Q261-P268 HydrophobicContact CG-CB 4.02Å; Q261-P268 HydrophobicContact CG-CG 4.12Å
269L98.2Very high97.2Very high57 Ų5774.9 Ų74.930%0.29838%0.375SS..EExtended strand (participates in β ladder)trans-93.9138.5175.7-61.8178.2000110.5T186 H259 V260 L265 L271T186-L269 HydrophobicContact CG2-CD1 4.38Å; H259-L269 CarbonylContact C-O 3.54Å; H259-L269 VanDerWaalsContact CA-O 3.28Å; H259-L269 WeakPolarHBondContact CA-O 3.33Å; V260-L269 HydrophobicContact CB-CB 4.38Å; V260-L269 PolarHBondContact N-O 3.06Å; V260-L269 PolarHBondContact O-N 2.9Å; L265-L269 HydrophobicContact CD1-CD1 4.03Å; L265-L269 HydrophobicContact CD1-CG 3.91Å; L265-L269 HydrophobicContact CD2-CD1 3.75Å; L265-L269 HydrophobicContact CD2-CD2 4.47Å; L265-L269 HydrophobicContact CD2-CG 3.97Å; L269-L271 HydrophobicContact CB-CD1 4.2Å
270T98.3Very high97.1Very high79 Ų7977.6 Ų77.649%0.48539%0.39SS..EExtended strand (participates in β ladder)trans-115.3120.5169.5-56.80000108.9T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.77Å; C258-T270 CarbonylContact O-C 3.54Å; C258-T270 WeakPolarHBondContact O-CA 3.47Å; H259-T270 PolarHBondContact CE1-OG1 3.35Å; H259-T270 PolarHBondContact ND1-OG1 3.11Å; H259-T270 VanDerWaalsContact ND1-OG1 3.07Å
271L97.9Very high97Very high30 Ų3083.6 Ų83.616%0.15742%0.42CS..EExtended strand (participates in β ladder)trans-115.5148.1-178.3-57.1106.3000111.1T186 V188 T257 C258 V260 L269T186-L271 WeakPolarHBondContact OG1-CD2 3.46Å; V188-L271 HydrophobicContact CG2-CB 3.85Å; T257-L271 CarbonylContact C-O 3.6Å; T257-L271 VanDerWaalsContact CA-O 3.31Å; T257-L271 WeakPolarHBondContact CA-O 3.44Å; C258-L271 HydrophobicContact CB-CB 4.34Å; C258-L271 PolarHBondContact N-O 3Å; C258-L271 PolarHBondContact O-N 3.12Å; V260-L271 HydrophobicContact CG2-CD1 3.71Å; L269-L271 HydrophobicContact CB-CD1 4.2Å
272R96.6Very high96.8Very high138 Ų13881.7 Ų81.752%0.52141%0.413SS..  trans-125.7165.5166-67.3-172.2172.289.81.6108.7Q254 T257Q254-R272 PolarHBondContact O-NE 2.93Å; Q254-R272 VanDerWaalsContact O-NE 3.11Å; T257-R272 HydrophobicContact CG2-CG 3.64Å; T257-R272 VanDerWaalsContact CG2-NE 3.31Å; T257-R272 VanDerWaalsContact CG2-NH2 3.35Å
273W93.4Very high96.7Very high144 Ų14487.7 Ų87.755%0.54544%0.444SS..  trans-72.60166.817554.2000111.1V188 H190 L200 E253 Q254V188-W273 HydrophobicContact CG1-CB 3.91Å; H190-W273 HydrophobicContact CB-CD2 3.84Å; H190-W273 VanDerWaalsContact CB-CE2 3.44Å; H190-W273 HydrophobicContact CB-CG 3.95Å; H190-W273 HydrophobicContact CB-CZ2 3.96Å; H190-W273 VanDerWaalsContact CB-NE1 3.33Å; H190-W273 AromaticContact CG-CE2 3.7Å; H190-W273 AromaticContact CG-CZ2 3.76Å; H190-W273 AromaticContact ND1-CZ2 3.79Å; L200-W273 HydrophobicContact CD2-CB 3.9Å; L200-W273 HydrophobicContact CD2-CG 4.15Å; E253-W273 HydrophobicContact CB-CE3 3.6Å; E253-W273 HydrophobicContact CB-CZ3 4.09Å; E253-W273 HydrophobicContact CG-CE3 3.74Å; E253-W273 HydrophobicContact CG-CZ3 3.86Å; Q254-W273 PolarHBondContact NE2-O 3.12Å

Retrieved 273 of 273 residues in 226.4 ms (Link to these results)

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