A0A060H0F5_HUMAN Loading...

MHC class I antigen

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

AlphaFold DB , UniProt , Accession A0A060H0F5, 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
1S93.8Very high98.2Very high94 Ų9437.3 Ų37.366%0.65720%0.204SC*.  01560-58.40000107.9L102S1-L102 VanDerWaalsContact CA-O 3.3Å; S1-L102 WeakPolarHBondContact CA-O 3.42Å; S1-L102 VanDerWaalsContact CB-O 3.28Å; S1-L102 WeakPolarHBondContact CB-O 3.31Å
2H97.8Very high98.2Very high49 Ų4935.6 Ų35.623%0.22720%0.197CC..EExtended strand (participates in β ladder)trans-141.3157.3-179.3-67.1-76000110.8D28 D101 L102 L167 L171 L178H2-D28 WeakPolarHBondContact CA-OD1 3.42Å; H2-D28 IonicContact CE1-OD2 3.11Å; H2-D28 IonicContact CG-OD2 2.8Å; H2-D28 IonicContact ND1-OD1 2.76Å; H2-D28 IonicContact ND1-OD2 3.46Å; H2-D28 PolarHBondContact ND1-OD2 3.49Å; H2-D101 CarbonylContact O-C 3.58Å; H2-D101 WeakPolarHBondContact O-CA 3.33Å; H2-L102 PolarHBondContact N-O 3.15Å; H2-L102 VanDerWaalsContact N-O 3.11Å; H2-L102 PolarHBondContact O-N 3.07Å; H2-L167 HydrophobicContact CB-CD1 4.43Å; H2-L171 HydrophobicContact CB-CD1 3.74Å; H2-L171 HydrophobicContact CB-CD2 3.96Å; H2-L171 HydrophobicContact CB-CG 4.42Å; H2-L171 VanDerWaalsContact CG-CD2 3.46Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.36Å; H2-L178 PolarHBondContact CE1-O 3.08Å
3S98.4Very high98.1Very high24 Ų2438.7 Ų38.717%0.16820%0.204CC..EExtended strand (participates in β ladder)trans-132.1151.1178.2680000111.9V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.59Å; S3-V27 VanDerWaalsContact O-CA 3.29Å; S3-V27 WeakPolarHBondContact O-CA 3.35Å; S3-D28 PolarHBondContact N-OD1 2.82Å; S3-D28 PolarHBondContact O-N 2.81Å; S3-C100 WeakPolarHBondContact CA-O 3.13Å; S3-D101 WeakPolarHBondContact CB-OD1 3.38Å
4M98.8Very high97.8Very high0 Ų040.1 Ų40.10%022%0.217CC..EExtended strand (participates in β ladder)trans-125122.7166.4-177.3172.56000108.4Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.35Å; M4-Y6 HydrophobicContact CG-CE2 4.21Å; M4-Y6 HydrophobicContact SD-CE2 4.12Å; M4-Y26 CarbonylContact C-O 3.55Å; M4-Y26 VanDerWaalsContact CA-O 3.32Å; M4-Y26 WeakPolarHBondContact CA-O 3.35Å; M4-V27 HydrophobicContact CG-CG2 4.38Å; M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.41Å; M4-G99 CarbonylContact O-C 3.6Å; M4-G99 WeakPolarHBondContact O-CA 3.5Å; M4-C100 PolarHBondContact N-O 2.91Å; M4-C100 PolarHBondContact O-N 3.22Å; M4-C163 HydrophobicContact CE-CB 4.19Å; M4-C163 WeakPolarHBondContact CE-O 3.46Å; M4-C163 VanDerWaalsContact CE-SG 3.5Å; M4-W166 HydrophobicContact CE-CB 4.12Å; M4-L167 HydrophobicContact CB-CB 4.05Å; M4-L167 HydrophobicContact CB-CD1 4.04Å; M4-L167 HydrophobicContact CB-CD2 3.97Å; M4-L167 HydrophobicContact CB-CG 4.23Å; M4-L167 HydrophobicContact CE-CB 4.29Å; M4-L167 HydrophobicContact SD-CB 4.5Å; M4-Y170 HydrophobicContact SD-CD2 3.78Å; M4-Y170 HydrophobicContact SD-CE2 3.61Å
5R98.8Very high97.5Very high47 Ų4743.4 Ų43.418%0.17726%0.263CS..EExtended strand (participates in β ladder)trans-129.1138.6-176.6-57.1-61.4-178.181.42.7110.6F7 G25 Y26 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.36Å; R5-F7 HydrophobicContact CB-CE2 3.55Å; R5-F7 HydrophobicContact CB-CZ 3.81Å; R5-F7 HydrophobicContact CG-CZ 4.42Å; R5-G25 CarbonylContact O-C 3.47Å; R5-G25 WeakPolarHBondContact O-CA 3.11Å; R5-Y26 PolarHBondContact N-O 2.97Å; R5-Y26 PolarHBondContact O-N 3.28Å; R5-D101 IonicContact CZ-OD1 2.66Å; R5-D101 IonicContact NE-OD1 3.51Å; R5-D101 PolarHBondContact NE-OD1 3.18Å; R5-D101 VanDerWaalsContact NH2-CG 3.34Å; R5-D101 IonicContact NH2-OD1 2.78Å; R5-D101 PolarHBondContact NH2-OD1 3.49Å; R5-D101 IonicContact NH2-OD2 2.77Å; R5-D101 PolarHBondContact NH2-OD2 2.89Å; R5-D101 VanDerWaalsContact NH2-OD2 3.11Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.34Å; R5-Y112 PolarHBondContact NH2-OH 3.36Å
6Y98.9Very high97.3Very high6 Ų653.6 Ų53.62%0.02430%0.296CS..EExtended strand (participates in β ladder)trans-112.8134.6167.6-70.9-91.5000109.1M4 Y8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.35Å; M4-Y6 HydrophobicContact CG-CE2 4.21Å; M4-Y6 HydrophobicContact SD-CE2 4.12Å; Y6-Y8 HydrophobicContact CD1-CE1 4.22Å; Y6-Y8 HydrophobicContact CG-CE1 4.44Å; Y6-V24 WeakPolarHBondContact CA-O 3.45Å; Y6-F32 HydrophobicContact CE1-CZ 4.1Å; Y6-F32 AromaticContact CZ-CZ 3.84Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.48Å; Y6-V33 HydrophobicContact CE1-CG1 4.05Å; Y6-M97 WeakPolarHBondContact O-CA 3.28Å; Y6-Y98 VanDerWaalsContact CB-CE1 3.46Å; Y6-Y98 AromaticContact CD2-CE2 3.74Å; Y6-Y98 HydrophobicContact CD2-CE2 3.74Å; Y6-Y98 AromaticContact CD2-CZ 3.7Å; Y6-Y98 HydrophobicContact CE2-CE2 4.49Å; Y6-Y98 HydrophobicContact CG-CE1 4.17Å; Y6-Y98 HydrophobicContact CG-CE2 4.21Å; Y6-Y98 AromaticContact CG-CZ 3.7Å; Y6-Y98 PolarHBondContact N-O 2.8Å; Y6-Y98 PolarHBondContact O-N 2.92Å; Y6-Y98 VanDerWaalsContact O-N 3.15Å
7F98.9Very high97Very high85 Ų8553.7 Ų53.737%0.37331%0.312SS..EExtended strand (participates in β ladder)trans-120.1116.7177.8-57.1-93.7000108.9R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.36Å; R5-F7 HydrophobicContact CB-CE2 3.55Å; R5-F7 HydrophobicContact CB-CZ 3.81Å; R5-F7 HydrophobicContact CG-CZ 4.42Å; F7-A23 WeakPolarHBondContact O-CA 3.46Å; F7-V24 HydrophobicContact CB-CG2 3.86Å; F7-V24 HydrophobicContact CD2-CG2 4.3Å; F7-V24 PolarHBondContact N-O 2.68Å; F7-V24 PolarHBondContact O-N 3.35Å; F7-Y26 HydrophobicContact CD2-CD2 4.03Å; F7-Y26 HydrophobicContact CE2-CD2 4.04Å; F7-R96 WeakPolarHBondContact CA-O 3.46Å; F7-M97 HydrophobicContact CD1-CB 4.05Å; F7-M97 HydrophobicContact CD1-CG 3.71Å; F7-M97 HydrophobicContact CE1-CB 4.22Å; F7-M97 HydrophobicContact CE1-CG 3.45Å; F7-M97 VanDerWaalsContact CE1-CG 3.45Å; F7-M97 HydrophobicContact CZ-CG 4.13Å
8Y98.8Very high96.9Very high10 Ų1055.9 Ų55.94%0.03932%0.319CS..EExtended strand (participates in β ladder)trans-110.1139.1177.7-58.5-12.9000109.5Y6 F21 I22 A23 Y66 Q69 Q95 R96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.22Å; Y6-Y8 HydrophobicContact CG-CE1 4.44Å; Y8-F21 HydrophobicContact CD1-CZ 4.21Å; Y8-F21 HydrophobicContact CD2-CE2 4.13Å; Y8-F21 AromaticContact CD2-CZ 3.94Å; Y8-F21 HydrophobicContact CD2-CZ 3.94Å; Y8-F21 HydrophobicContact CE2-CZ 4.33Å; Y8-F21 HydrophobicContact CG-CE2 4.05Å; Y8-F21 AromaticContact CG-CZ 3.85Å; Y8-F21 HydrophobicContact CG-CZ 3.85Å; Y8-I22 CarbonylContact C-O 3.55Å; Y8-I22 WeakPolarHBondContact CA-O 3.41Å; Y8-A23 HydrophobicContact CD1-CB 3.35Å; Y8-A23 HydrophobicContact CE1-CB 3.46Å; Y8-A23 VanDerWaalsContact CE1-CB 3.46Å; Y8-A23 HydrophobicContact CG-CB 4.3Å; Y8-Y66 HydrophobicContact CE1-CD1 4.33Å; Y8-Y66 AromaticContact CE1-CE1 3.94Å; Y8-Y66 HydrophobicContact CE1-CE1 3.94Å; Y8-Q69 HydrophobicContact CD2-CG 3.65Å; Y8-Q69 HydrophobicContact CE2-CB 4.39Å; Y8-Q69 HydrophobicContact CE2-CG 3.63Å; Y8-Q95 VanDerWaalsContact O-CA 3.3Å; Y8-Q95 WeakPolarHBondContact O-CA 3.26Å; Y8-R96 PolarHBondContact N-O 2.96Å; Y8-R96 PolarHBondContact O-N 3.31Å; Y8-Y98 HydrophobicContact CD2-CE1 4.24Å; Y8-Y98 HydrophobicContact CE1-CE1 4.08Å; Y8-Y98 AromaticContact CE2-CE1 3.61Å; Y8-Y98 HydrophobicContact CE2-CE1 3.61Å; Y8-Y98 AromaticContact CZ-CE1 3.55Å; Y8-Y98 AromaticContact CZ-CZ 3.98Å; Y8-Y98 PolarHBondContact OH-OH 3.35Å
9T98.9Very high96.9Very high43 Ų4354.4 Ų54.426%0.26431%0.311SS..EExtended strand (participates in β ladder)trans-134.2121.6175-57.20000109V11 F21 I22 T93 Q95T9-V11 HydrophobicContact CG2-CG2 3.89Å; T9-F21 WeakPolarHBondContact O-CA 3.47Å; T9-I22 PolarHBondContact N-O 2.83Å; T9-I22 PolarHBondContact O-N 3.14Å; T9-T93 HydrophobicContact CG2-CG2 4.03Å; T9-Q95 HydrophobicContact CG2-CG 4.18Å
10A98.8Very high97Very high1 Ų156.4 Ų56.41%0.00831%0.314CS..EExtended strand (participates in β ladder)trans-114.6123.4172.400000109.6R20 F21 D73 L77 T93 L94A10-R20 CarbonylContact C-O 3.51Å; A10-R20 VanDerWaalsContact CA-O 3.28Å; A10-R20 WeakPolarHBondContact CA-O 3.47Å; A10-F21 HydrophobicContact CB-CD2 4.32Å; A10-D73 HydrophobicContact CB-CB 3.71Å; A10-L77 HydrophobicContact CB-CD1 3.96Å; A10-T93 WeakPolarHBondContact O-CA 3.42Å; A10-L94 HydrophobicContact CB-CB 4.42Å; A10-L94 PolarHBondContact N-O 3.01Å; A10-L94 PolarHBondContact O-N 2.88Å
11V98.6Very high97.1Very high51 Ų5153.9 Ų53.931%0.30930%0.299SS..EExtended strand (participates in β ladder)trans-119.7114.6-177.9-1730000109.4T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 3.89Å; V11-P19 CarbonylContact O-C 3.58Å; V11-P19 WeakPolarHBondContact O-CA 3.34Å; V11-P19 WeakPolarHBondContact O-CB 3.41Å; V11-R20 PolarHBondContact N-O 3.16Å; V11-R20 PolarHBondContact O-N 3.3Å; V11-H92 WeakPolarHBondContact CA-O 3.43Å; V11-T93 HydrophobicContact CG2-CG2 4.27Å
12S98.2Very high97.3Very high17 Ų1751.8 Ų51.812%0.11928%0.28CS..  trans-69.8147.6173.171.80000110.6S91 H92S12-S91 PolarHBondContact O-OG 3.45Å; S12-H92 PolarHBondContact N-O 3.06Å; S12-H92 PolarHBondContact OG-N 3.01Å; S12-H92 PolarHBondContact OG-O 3.11Å
13R96.7Very high97.4Very high76 Ų7649.4 Ų49.429%0.28727%0.269SS..  trans-142.972.7-178.651174.9175.4-163.6-8.3110.9G15 R16 E18 D38R13-G15 PolarHBondContact O-N 2.8Å; R13-R16 HydrophobicContact CB-CB 4.15Å; R13-R16 WeakPolarHBondContact CD-O 3.33Å; R13-R16 HydrophobicContact CG-CB 4.18Å; R13-R16 PolarHBondContact NE-O 2.96Å; R13-R16 PolarHBondContact O-N 2.92Å; R13-E18 PolarHBondContact NE-O 3.09Å; R13-E18 PolarHBondContact NH2-O 2.88Å; R13-E18 VanDerWaalsContact NH2-O 3.14Å; R13-D38 IonicContact CZ-OD1 3.5Å; R13-D38 IonicContact CZ-OD2 3.69Å; R13-D38 IonicContact NH1-OD1 3.15Å; R13-D38 IonicContact NH1-OD2 2.68Å; R13-D38 PolarHBondContact NH1-OD2 3.32Å; R13-D38 IonicContact NH2-OD1 3.5Å; R13-D38 PolarHBondContact NH2-OD1 2.92Å; R13-D38 IonicContact NH2-OD2 2.68Å; R13-D38 PolarHBondContact NH2-OD2 2.78Å
14P93.5Very high97.4Very high59 Ų5949.7 Ų49.738%0.38327%0.27SS..THydrogen-bonded Turntrans-49.8132.3-176.7-26.735.1000112.2R16 E88 G90P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 2.74Å; P14-E88 WeakPolarHBondContact CB-O 3.48Å; P14-E88 WeakPolarHBondContact CG-O 3.47Å; P14-G90 VanDerWaalsContact CG-O 3.26Å; P14-G90 WeakPolarHBondContact CG-O 3.36Å
15G93.1Very high97.4Very high89 Ų8949.7 Ų49.792%0.91827%0.27SS*.THydrogen-bonded Turntrans77.1-1-176.800000115.8R13R13-G15 PolarHBondContact O-N 2.8Å
16R94.4Very high97.4Very high206 Ų20650.7 Ų50.778%0.77727%0.274SS*.SBendtrans-124.325.1179.2-58.9-175.3-179.7179.30.4113.4R13 P14R13-R16 HydrophobicContact CB-CB 4.15Å; R13-R16 WeakPolarHBondContact CD-O 3.33Å; R13-R16 HydrophobicContact CG-CB 4.18Å; R13-R16 PolarHBondContact NE-O 2.96Å; R13-R16 PolarHBondContact O-N 2.92Å; P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 2.74Å
17G92.9Very high97.4Very high56 Ų5650.4 Ų50.458%0.57727%0.273SS*.SBendtrans94.3-160.3179.600000113.8
18E95.3Very high97.4Very high94 Ų9447.9 Ų47.944%0.43926%0.264SS..SBendtrans-74.4158.2-177.5-65.4-55.8160.100112.8R13 R20 R74R13-E18 PolarHBondContact NE-O 3.09Å; R13-E18 PolarHBondContact NH2-O 2.88Å; R13-E18 VanDerWaalsContact NH2-O 3.14Å; E18-R20 PolarHBondContact O-N 3.11Å; E18-R74 IonicContact OE1-CZ 3.6Å; E18-R74 VanDerWaalsContact OE1-CZ 3.3Å; E18-R74 IonicContact OE1-NE 3.48Å; E18-R74 IonicContact OE1-NH2 3.73Å; E18-R74 PolarHBondContact OE1-NH2 3.24Å; E18-R74 WeakPolarHBondContact OE2-CD 3.45Å; E18-R74 IonicContact OE2-CZ 3.6Å; E18-R74 IonicContact OE2-NE 3.05Å; E18-R74 PolarHBondContact OE2-NE 3.22Å; E18-R74 IonicContact OE2-NH2 3.82Å; E18-R74 PolarHBondContact OE2-NH2 3.22Å
19P97.5Very high97.3Very high26 Ų2650.6 Ų50.617%0.16928%0.279CS..PPolyproline II helixtrans-52.4132.1174.3-25.534.3000111.8V11 R74 L77V11-P19 CarbonylContact O-C 3.58Å; V11-P19 WeakPolarHBondContact O-CA 3.34Å; V11-P19 WeakPolarHBondContact O-CB 3.41Å; P19-R74 HydrophobicContact CG-CB 4.42Å; P19-R74 HydrophobicContact CG-CG 4.24Å; P19-L77 HydrophobicContact CB-CD1 3.71Å; P19-L77 HydrophobicContact CG-CD1 3.85Å
20R98.5Very high97.3Very high95 Ų9550 Ų5036%0.35828%0.275SS..EExtended strand (participates in β ladder)trans-75.2130.9172.8-176.8-179.2-175.8-176.1-1.2108.5A10 V11 E18 I22 D36 S37 D38A10-R20 CarbonylContact C-O 3.51Å; A10-R20 VanDerWaalsContact CA-O 3.28Å; A10-R20 WeakPolarHBondContact CA-O 3.47Å; V11-R20 PolarHBondContact N-O 3.16Å; V11-R20 PolarHBondContact O-N 3.3Å; E18-R20 PolarHBondContact O-N 3.11Å; R20-I22 HydrophobicContact CG-CG1 4.27Å; R20-D36 IonicContact CZ-OD1 2.63Å; R20-D36 IonicContact CZ-OD2 2.62Å; R20-D36 IonicContact NE-OD1 3.62Å; R20-D36 PolarHBondContact NE-OD1 2.96Å; R20-D36 IonicContact NE-OD2 3.21Å; R20-D36 IonicContact NH2-OD1 2.61Å; R20-D36 IonicContact NH2-OD2 2.92Å; R20-D36 PolarHBondContact NH2-OD2 3.5Å; R20-S37 WeakPolarHBondContact CA-OG 2.94Å; R20-D38 VanDerWaalsContact CD-OD2 3.23Å; R20-D38 WeakPolarHBondContact CD-OD2 3.43Å; R20-D38 HydrophobicContact CG-CB 4.34Å; R20-D38 IonicContact NE-OD2 3.22Å
21F98.8Very high97.3Very high3 Ų352.5 Ų52.51%0.01329%0.286CS..EExtended strand (participates in β ladder)trans-114.5125176.5175.3-92.9000110Y8 T9 A10 A23 F35 S37 Y66 Q69 A70 D73Y8-F21 HydrophobicContact CD1-CZ 4.21Å; Y8-F21 HydrophobicContact CD2-CE2 4.13Å; Y8-F21 AromaticContact CD2-CZ 3.94Å; Y8-F21 HydrophobicContact CD2-CZ 3.94Å; Y8-F21 HydrophobicContact CE2-CZ 4.33Å; Y8-F21 HydrophobicContact CG-CE2 4.05Å; Y8-F21 AromaticContact CG-CZ 3.85Å; Y8-F21 HydrophobicContact CG-CZ 3.85Å; T9-F21 WeakPolarHBondContact O-CA 3.47Å; A10-F21 HydrophobicContact CB-CD2 4.32Å; F21-A23 HydrophobicContact CE1-CB 3.76Å; F21-A23 HydrophobicContact CZ-CB 3.93Å; F21-F35 AromaticContact CD1-CD1 3.71Å; F21-F35 HydrophobicContact CD1-CD1 3.71Å; F21-F35 AromaticContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CD1-CE1 3.77Å; F21-F35 AromaticContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CE1 4.26Å; F21-S37 PolarHBondContact N-OG 2.83Å; F21-S37 PolarHBondContact O-N 3.27Å; F21-S37 PolarHBondContact O-OG 2.83Å; F21-Y66 HydrophobicContact CE1-CD1 4.34Å; F21-Q69 HydrophobicContact CE2-CB 4.28Å; F21-Q69 HydrophobicContact CE2-CG 3.7Å; F21-Q69 HydrophobicContact CZ-CB 3.96Å; F21-Q69 HydrophobicContact CZ-CG 3.73Å; F21-A70 HydrophobicContact CB-CB 3.65Å; F21-A70 HydrophobicContact CD1-CB 3.85Å; F21-A70 HydrophobicContact CD2-CB 4.25Å; F21-A70 HydrophobicContact CG-CB 3.65Å; F21-D73 VanDerWaalsContact CE2-OD2 3.23Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.4Å
22I98.8Very high97.2Very high50 Ų5050 Ų5026%0.25627%0.272SS..EExtended strand (participates in β ladder)trans-121.6133.8175.8-57.2172.3000107.9Y8 T9 R20 F35Y8-I22 CarbonylContact C-O 3.55Å; Y8-I22 WeakPolarHBondContact CA-O 3.41Å; T9-I22 PolarHBondContact N-O 2.83Å; T9-I22 PolarHBondContact O-N 3.14Å; R20-I22 HydrophobicContact CG-CG1 4.27Å; I22-F35 WeakPolarHBondContact CA-O 3.19Å
23A98.8Very high97.3Very high0 Ų049.2 Ų49.20%027%0.266CS..EExtended strand (participates in β ladder)trans-127.1136.1171.500000110.2F7 Y8 F21 Q34 F35 Y66F7-A23 WeakPolarHBondContact O-CA 3.46Å; Y8-A23 HydrophobicContact CD1-CB 3.35Å; Y8-A23 HydrophobicContact CE1-CB 3.46Å; Y8-A23 VanDerWaalsContact CE1-CB 3.46Å; Y8-A23 HydrophobicContact CG-CB 4.3Å; F21-A23 HydrophobicContact CE1-CB 3.76Å; F21-A23 HydrophobicContact CZ-CB 3.93Å; A23-Q34 CarbonylContact O-C 3.57Å; A23-Q34 VanDerWaalsContact O-CA 3.31Å; A23-Q34 WeakPolarHBondContact O-CA 3.4Å; A23-F35 HydrophobicContact CB-CB 4.28Å; A23-F35 PolarHBondContact N-O 2.9Å; A23-F35 PolarHBondContact O-N 2.87Å; A23-Y66 HydrophobicContact CB-CD1 3.65Å; A23-Y66 HydrophobicContact CB-CE1 3.63Å
24V98.9Very high97.3Very high29 Ų2948 Ų4818%0.17626%0.264CS..EExtended strand (participates in β ladder)trans-130.6145.7171.2-63.70000109.8Y6 F7 Y26 V33 Q34Y6-V24 WeakPolarHBondContact CA-O 3.45Å; F7-V24 HydrophobicContact CB-CG2 3.86Å; F7-V24 HydrophobicContact CD2-CG2 4.3Å; F7-V24 PolarHBondContact N-O 2.68Å; F7-V24 PolarHBondContact O-N 3.35Å; V24-Y26 HydrophobicContact CB-CE2 4.1Å; V24-Y26 HydrophobicContact CG2-CD2 4.33Å; V24-Y26 HydrophobicContact CG2-CE2 3.8Å; V24-V33 WeakPolarHBondContact CA-O 3.46Å; V24-Q34 HydrophobicContact CG1-CB 4.47Å; V24-Q34 HydrophobicContact CG1-CG 4.15Å
25G98.8Very high97.6Very high0 Ų045.4 Ų45.40%025%0.246CC..EExtended strand (participates in β ladder)trans-122.7139.2176.200000110.9R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.47Å; R5-G25 WeakPolarHBondContact O-CA 3.11Å; G25-Q31 WeakPolarHBondContact O-CA 3.23Å; G25-F32 WeakPolarHBondContact O-CD1 3.25Å; G25-F32 PolarHBondContact O-N 2.91Å; G25-V33 PolarHBondContact N-O 2.83Å; G25-V33 PolarHBondContact O-N 2.99Å
26Y98.8Very high97.9Very high69 Ų6942.6 Ų42.627%0.27121%0.21SC..EExtended strand (participates in β ladder)trans-125.8143.2-179.3-77.2-102.4000110.6M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.55Å; M4-Y26 VanDerWaalsContact CA-O 3.32Å; M4-Y26 WeakPolarHBondContact CA-O 3.35Å; R5-Y26 PolarHBondContact N-O 2.97Å; R5-Y26 PolarHBondContact O-N 3.28Å; F7-Y26 HydrophobicContact CD2-CD2 4.03Å; F7-Y26 HydrophobicContact CE2-CD2 4.04Å; V24-Y26 HydrophobicContact CB-CE2 4.1Å; V24-Y26 HydrophobicContact CG2-CD2 4.33Å; V24-Y26 HydrophobicContact CG2-CE2 3.8Å; Y26-T30 WeakPolarHBondContact CA-O 3.35Å; Y26-T30 VanDerWaalsContact CD1-C 3.49Å; Y26-Q31 HydrophobicContact CD1-CB 4.06Å; Y26-Q31 VanDerWaalsContact CD1-N 3.33Å; Y26-Q31 HydrophobicContact CD2-CG 4.38Å; Y26-Q31 HydrophobicContact CE1-CB 3.56Å; Y26-Q31 HydrophobicContact CE1-CG 4.29Å; Y26-Q31 HydrophobicContact CE2-CB 4.07Å; Y26-Q31 HydrophobicContact CE2-CG 3.87Å
27V98.7Very high98.1Very high0 Ų034.4 Ų34.40%018%0.184CC..EExtended strand (participates in β ladder)trans-111.5118.3156.51770000106.2S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.59Å; S3-V27 VanDerWaalsContact O-CA 3.29Å; S3-V27 WeakPolarHBondContact O-CA 3.35Å; M4-V27 HydrophobicContact CG-CG2 4.38Å; V27-D29 PolarHBondContact O-N 2.62Å; V27-T30 PolarHBondContact N-O 3.21Å; V27-T30 WeakPolarHBondContact O-CB 3.43Å; V27-T30 PolarHBondContact O-N 2.92Å; V27-F32 HydrophobicContact CG2-CD1 4.05Å; V27-F32 HydrophobicContact CG2-CE1 4.13Å; V27-W50 HydrophobicContact CB-CH2 4.46Å; V27-W50 HydrophobicContact CB-CZ2 4.46Å; V27-W50 HydrophobicContact CG2-CH2 3.88Å; V27-W50 HydrophobicContact CG2-CZ2 4.36Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.22Å; V27-Y170 HydrophobicContact CG2-CD2 3.94Å; V27-Y170 HydrophobicContact CG2-CG 4.47Å; V27-L171 HydrophobicContact CG1-CD2 4.11Å; V27-L178 HydrophobicContact CB-CD1 4.29Å; V27-L178 HydrophobicContact CB-CD2 4.16Å; V27-L178 HydrophobicContact CG1-CD1 3.92Å; V27-L178 HydrophobicContact CG1-CD2 4.09Å
28D97.9Very high98.3Very high32 Ų3234.9 Ų34.917%0.17117%0.174CC..THydrogen-bonded Turntrans48.7-125.7-166.1-51.7-42000110.6H2 S3 T30H2-D28 WeakPolarHBondContact CA-OD1 3.42Å; H2-D28 IonicContact CE1-OD2 3.11Å; H2-D28 IonicContact CG-OD2 2.8Å; H2-D28 IonicContact ND1-OD1 2.76Å; H2-D28 IonicContact ND1-OD2 3.46Å; H2-D28 PolarHBondContact ND1-OD2 3.49Å; S3-D28 PolarHBondContact N-OD1 2.82Å; S3-D28 PolarHBondContact O-N 2.81Å; D28-T30 VanDerWaalsContact C-N 3.33Å
29D97.8Very high98.4Very high66 Ų6632.1 Ų32.135%0.35317%0.167SC..THydrogen-bonded Turntrans-91.49.3178.7-62.8-46.8000113.5V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 2.62Å; D29-Y208 HydrophobicContact CB-CE2 3.85Å; D29-P209 WeakPolarHBondContact OD2-CB 3.42Å; D29-A210 WeakPolarHBondContact OD2-CB 3.45Å; D29-A210 PolarHBondContact OD2-N 3Å; D29-F240 HydrophobicContact CB-CE2 3.84Å; D29-F240 HydrophobicContact CB-CZ 3.78Å
30T98.1Very high98.4Very high32 Ų3236.5 Ų36.520%0.19621%0.205CC..EExtended strand (participates in β ladder)trans-103.4112.7-178.1-60.10000111.7Y26 V27 D28 A48 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.35Å; Y26-T30 VanDerWaalsContact CD1-C 3.49Å; V27-T30 PolarHBondContact N-O 3.21Å; V27-T30 WeakPolarHBondContact O-CB 3.43Å; V27-T30 PolarHBondContact O-N 2.92Å; D28-T30 VanDerWaalsContact C-N 3.33Å; T30-A48 HydrophobicContact CG2-CB 4.47Å; T30-L178 HydrophobicContact CG2-CD2 4.07Å; T30-Y208 PolarHBondContact OG1-OH 3.29Å
31Q98.3Very high98.3Very high52 Ų5235.8 Ų35.824%0.24322%0.215CC..EExtended strand (participates in β ladder)trans-67.6132.6171.8-166.6-177.7-5.800110.3G25 Y26 V33 R47G25-Q31 WeakPolarHBondContact O-CA 3.23Å; Y26-Q31 HydrophobicContact CD1-CB 4.06Å; Y26-Q31 VanDerWaalsContact CD1-N 3.33Å; Y26-Q31 HydrophobicContact CD2-CG 4.38Å; Y26-Q31 HydrophobicContact CE1-CB 3.56Å; Y26-Q31 HydrophobicContact CE1-CG 4.29Å; Y26-Q31 HydrophobicContact CE2-CB 4.07Å; Y26-Q31 HydrophobicContact CE2-CG 3.87Å; Q31-V33 PolarHBondContact NE2-O 2.83Å; Q31-R47 HydrophobicContact CG-CB 4.16Å; Q31-R47 HydrophobicContact CG-CG 4.43Å
32F98.5Very high98.2Very high0 Ų037.1 Ų37.10%022%0.224CC..EExtended strand (participates in β ladder)trans-123.5-19.6179.575.8-89.5000114.5M4 Y6 G25 V27 R47 A48 W50 V51 Y170M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.41Å; Y6-F32 HydrophobicContact CE1-CZ 4.1Å; Y6-F32 AromaticContact CZ-CZ 3.84Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.48Å; G25-F32 WeakPolarHBondContact O-CD1 3.25Å; G25-F32 PolarHBondContact O-N 2.91Å; V27-F32 HydrophobicContact CG2-CD1 4.05Å; V27-F32 HydrophobicContact CG2-CE1 4.13Å; F32-R47 PolarHBondContact O-N 3.45Å; F32-A48 HydrophobicContact CB-CB 4.04Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.34Å; F32-W50 HydrophobicContact CB-CZ3 3.96Å; F32-W50 AromaticContact CD1-CH2 3.9Å; F32-W50 HydrophobicContact CD1-CH2 3.9Å; F32-W50 AromaticContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CZ3 4.2Å; F32-W50 AromaticContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CZ2 4.08Å; F32-W50 HydrophobicContact CG-CZ3 4.13Å; F32-V51 HydrophobicContact CB-CG1 4.39Å; F32-V51 HydrophobicContact CD2-CB 4.4Å; F32-V51 HydrophobicContact CD2-CG1 4.45Å; F32-V51 HydrophobicContact CD2-CG2 4.1Å; F32-V51 VanDerWaalsContact O-CG1 3.27Å; F32-V51 WeakPolarHBondContact O-CG1 3.37Å; F32-Y170 AromaticContact CE2-CE2 3.83Å; F32-Y170 HydrophobicContact CE2-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CD2 4.46Å; F32-Y170 AromaticContact CZ-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CE2 3.83Å
33V98.6Very high98.2Very high0 Ų041.7 Ų41.70%024%0.238CC..EExtended strand (participates in β ladder)trans-142.8149.5179.564.20000111.7Y6 V24 G25 Q31 E45 W59 Y66Y6-V33 HydrophobicContact CE1-CG1 4.05Å; V24-V33 WeakPolarHBondContact CA-O 3.46Å; G25-V33 PolarHBondContact N-O 2.83Å; G25-V33 PolarHBondContact O-N 2.99Å; Q31-V33 PolarHBondContact NE2-O 2.83Å; V33-E45 WeakPolarHBondContact CA-O 3.13Å; V33-W59 HydrophobicContact CG2-CZ3 3.98Å; V33-Y66 HydrophobicContact CG2-CE2 4.28Å
34Q98.4Very high98.1Very high51 Ų5142 Ų4224%0.23824%0.241CC..EExtended strand (participates in β ladder)trans-138.1148.9170-175.2173.511.900111.2A23 V24 G44 E45 R47A23-Q34 CarbonylContact O-C 3.57Å; A23-Q34 VanDerWaalsContact O-CA 3.31Å; A23-Q34 WeakPolarHBondContact O-CA 3.4Å; V24-Q34 HydrophobicContact CG1-CB 4.47Å; V24-Q34 HydrophobicContact CG1-CG 4.15Å; Q34-G44 WeakPolarHBondContact O-CA 3.41Å; Q34-E45 PolarHBondContact N-O 2.86Å; Q34-E45 PolarHBondContact O-N 3Å; Q34-R47 HydrophobicContact CB-CG 3.99Å; Q34-R47 VanDerWaalsContact OE1-CZ 3.23Å
35F98.8Very high98.1Very high4 Ų443.3 Ų43.32%0.01825%0.245CC..EExtended strand (participates in β ladder)trans-137.9140.6164.8175.6-82.4000109F21 I22 A23 P42 R43 Y66 K67F21-F35 AromaticContact CD1-CD1 3.71Å; F21-F35 HydrophobicContact CD1-CD1 3.71Å; F21-F35 AromaticContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CD1-CE1 3.77Å; F21-F35 AromaticContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CE1 4.26Å; I22-F35 WeakPolarHBondContact CA-O 3.19Å; A23-F35 HydrophobicContact CB-CB 4.28Å; A23-F35 PolarHBondContact N-O 2.9Å; A23-F35 PolarHBondContact O-N 2.87Å; F35-P42 HydrophobicContact CE2-CB 3.79Å; F35-P42 HydrophobicContact CZ-CB 3.64Å; F35-R43 WeakPolarHBondContact CD2-O 3.29Å; F35-Y66 HydrophobicContact CB-CD1 4.34Å; F35-Y66 HydrophobicContact CB-CD2 3.58Å; F35-Y66 HydrophobicContact CB-CE2 4.04Å; F35-Y66 HydrophobicContact CB-CG 3.76Å; F35-Y66 HydrophobicContact CD1-CG 4.33Å; F35-Y66 AromaticContact CD2-CD2 3.73Å; F35-Y66 HydrophobicContact CD2-CD2 3.73Å; F35-Y66 AromaticContact CD2-CG 3.96Å; F35-Y66 HydrophobicContact CD2-CG 3.96Å; F35-Y66 AromaticContact CG-CD2 3.81Å; F35-Y66 HydrophobicContact CG-CD2 3.81Å; F35-Y66 AromaticContact CG-CG 3.76Å; F35-Y66 HydrophobicContact CG-CG 3.76Å; F35-K67 HydrophobicContact CE2-CG 4.2Å; F35-K67 HydrophobicContact CZ-CG 4Å
36D98.7Very high98.1Very high29 Ų2945.6 Ų45.616%0.15526%0.26CS..EExtended strand (participates in β ladder)trans-136.7123.2174.4-171.5-11.1000109.7R20 D38 A39R20-D36 IonicContact CZ-OD1 2.63Å; R20-D36 IonicContact CZ-OD2 2.62Å; R20-D36 IonicContact NE-OD1 3.62Å; R20-D36 PolarHBondContact NE-OD1 2.96Å; R20-D36 IonicContact NE-OD2 3.21Å; R20-D36 IonicContact NH2-OD1 2.61Å; R20-D36 IonicContact NH2-OD2 2.92Å; R20-D36 PolarHBondContact NH2-OD2 3.5Å; D36-D38 PolarHBondContact O-N 2.86Å; D36-D38 PolarHBondContact OD1-N 2.03Å; D36-A39 HydrophobicContact CB-CB 4.48Å; D36-A39 WeakPolarHBondContact O-CB 3.03Å; D36-A39 PolarHBondContact O-N 3.34Å
37S98.4Very high98Very high34 Ų3447.6 Ų47.624%0.23827%0.267CS..THydrogen-bonded Turntrans-66.5-21.617968.30000113.5R20 F21 P42R20-S37 WeakPolarHBondContact CA-OG 2.94Å; F21-S37 PolarHBondContact N-OG 2.83Å; F21-S37 PolarHBondContact O-N 3.27Å; F21-S37 PolarHBondContact O-OG 2.83Å; S37-P42 WeakPolarHBondContact O-CG 3.35Å
38D97.9Very high97.9Very high66 Ų6647.8 Ų47.835%0.35327%0.269SS..THydrogen-bonded Turntrans-88.6-4.6-179.6-77.17.7000113R13 R20 D36R13-D38 IonicContact CZ-OD1 3.5Å; R13-D38 IonicContact CZ-OD2 3.69Å; R13-D38 IonicContact NH1-OD1 3.15Å; R13-D38 IonicContact NH1-OD2 2.68Å; R13-D38 PolarHBondContact NH1-OD2 3.32Å; R13-D38 IonicContact NH2-OD1 3.5Å; R13-D38 PolarHBondContact NH2-OD1 2.92Å; R13-D38 IonicContact NH2-OD2 2.68Å; R13-D38 PolarHBondContact NH2-OD2 2.78Å; R20-D38 VanDerWaalsContact CD-OD2 3.23Å; R20-D38 WeakPolarHBondContact CD-OD2 3.43Å; R20-D38 HydrophobicContact CG-CB 4.34Å; R20-D38 IonicContact NE-OD2 3.22Å; D36-D38 PolarHBondContact O-N 2.86Å; D36-D38 PolarHBondContact OD1-N 2.03Å
39A97.4Very high97.9Very high37 Ų3751.3 Ų51.331%0.30629%0.293SS..SBendtrans-61.5149.3172.900000110.7D36 S41 P42D36-A39 HydrophobicContact CB-CB 4.48Å; D36-A39 WeakPolarHBondContact O-CB 3.03Å; D36-A39 PolarHBondContact O-N 3.34Å; A39-S41 PolarHBondContact O-N 2.96Å; A39-S41 VanDerWaalsContact O-N 3.15Å; A39-P42 WeakPolarHBondContact O-CD 3.4Å; A39-P42 VanDerWaalsContact O-CG 3.29Å; A39-P42 WeakPolarHBondContact O-CG 3.31Å
40A97.3Very high97.8Very high117 Ų11748.9 Ų48.997%0.96728%0.279SS*.SBendtrans-57.8-32.3179.700000113.1
41S96.9Very high97.8Very high80 Ų8047.4 Ų47.456%0.55927%0.27SS*.SBendtrans-135.186.6172.4173.70000109.7A39 R43A39-S41 PolarHBondContact O-N 2.96Å; A39-S41 VanDerWaalsContact O-N 3.15Å; S41-R43 PolarHBondContact O-N 3Å; S41-R43 VanDerWaalsContact O-N 3.13Å
42P97.4Very high97.7Very high32 Ų3250.7 Ų50.721%0.20829%0.285CS..  trans-61.7115.8-174.3-25.136000112.4F35 S37 A39 K67F35-P42 HydrophobicContact CE2-CB 3.79Å; F35-P42 HydrophobicContact CZ-CB 3.64Å; S37-P42 WeakPolarHBondContact O-CG 3.35Å; A39-P42 WeakPolarHBondContact O-CD 3.4Å; A39-P42 VanDerWaalsContact O-CG 3.29Å; A39-P42 WeakPolarHBondContact O-CG 3.31Å; P42-K67 WeakPolarHBondContact O-CE 3.29Å; P42-K67 PolarHBondContact O-NZ 3.46Å
43R97.9Very high97.5Very high146 Ų14656.4 Ų56.455%0.55131%0.312SS*.  trans-146.4158.1178.362.8-176.1170.7-174.8-1.4110.6F35 S41 E45 T63F35-R43 WeakPolarHBondContact CD2-O 3.29Å; S41-R43 PolarHBondContact O-N 3Å; S41-R43 VanDerWaalsContact O-N 3.13Å; R43-E45 HydrophobicContact CG-CG 4.04Å; R43-E45 IonicContact NE-OE1 3.22Å; R43-E45 PolarHBondContact O-N 2.96Å; R43-T63 HydrophobicContact CB-CG2 4.27Å
44G97.7Very high97.5Very high5 Ų557 Ų575%0.05231%0.314CS..  trans-66.3126.5166.600000109Q34 T63Q34-G44 WeakPolarHBondContact O-CA 3.41Å; G44-T63 PolarHBondContact N-OG1 2.63Å
45E97.8Very high97.4Very high58 Ų5856.2 Ų56.227%0.27132%0.321SS..EExtended strand (participates in β ladder)trans-115.3135.3-179-62.1-170.3154.900110.2V33 Q34 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.13Å; Q34-E45 PolarHBondContact N-O 2.86Å; Q34-E45 PolarHBondContact O-N 3Å; R43-E45 HydrophobicContact CG-CG 4.04Å; R43-E45 IonicContact NE-OE1 3.22Å; R43-E45 PolarHBondContact O-N 2.96Å; E45-R47 IonicContact OE2-CZ 3.42Å; E45-R47 IonicContact OE2-NH1 3.26Å; E45-R47 PolarHBondContact OE2-NH1 2.83Å; E45-R47 IonicContact OE2-NH2 2.91Å; E45-R47 PolarHBondContact OE2-NH2 3.43Å
46P98.1Very high97.3Very high47 Ų4760.7 Ų60.731%0.30535%0.35SS..EExtended strand (participates in β ladder)trans-65.8143.5172.828.5-33.8000110.7V51 E52 W59P46-V51 HydrophobicContact CB-CG1 3.81Å; P46-E52 HydrophobicContact CB-CG 3.78Å; P46-E52 HydrophobicContact CG-CG 4.04Å; P46-W59 HydrophobicContact CB-CH2 3.69Å; P46-W59 HydrophobicContact CB-CZ2 3.81Å; P46-W59 HydrophobicContact CG-CH2 4.32Å; P46-W59 HydrophobicContact CG-CZ2 4.28Å
47R97.8Very high97.3Very high112 Ų11267.2 Ų67.242%0.42338%0.38SS..  trans-126.51.2173.6-64-65.4-176.9-122.1-1.3113Q31 F32 Q34 E45Q31-R47 HydrophobicContact CG-CB 4.16Å; Q31-R47 HydrophobicContact CG-CG 4.43Å; F32-R47 PolarHBondContact O-N 3.45Å; Q34-R47 HydrophobicContact CB-CG 3.99Å; Q34-R47 VanDerWaalsContact OE1-CZ 3.23Å; E45-R47 IonicContact OE2-CZ 3.42Å; E45-R47 IonicContact OE2-NH1 3.26Å; E45-R47 PolarHBondContact OE2-NH1 2.83Å; E45-R47 IonicContact OE2-NH2 2.91Å; E45-R47 PolarHBondContact OE2-NH2 3.43Å
48A96.8Very high97.2Very high4 Ų466.1 Ų66.13%0.03337%0.37CS..SBendtrans-139.4142.9173.400000111.2T30 F32 W50 V51T30-A48 HydrophobicContact CG2-CB 4.47Å; F32-A48 HydrophobicContact CB-CB 4.04Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.18Å; A48-W50 HydrophobicContact CB-CG 4.39Å; A48-W50 HydrophobicContact CB-CZ2 4Å; A48-W50 PolarHBondContact O-N 3.35Å; A48-V51 VanDerWaalsContact O-CG1 3.23Å; A48-V51 WeakPolarHBondContact O-CG1 3.34Å; A48-V51 PolarHBondContact O-N 3.16Å
49P96.7Very high97.2Very high105 Ų10564.9 Ų64.968%0.68236%0.361SS*.Hα-helixtrans-58.9-35.5-176.7-26.734.8000114.1V51 E52P49-V51 PolarHBondContact O-N 3.2Å; P49-E52 WeakPolarHBondContact O-CB 3.2Å; P49-E52 PolarHBondContact O-N 2.85Å; P49-E52 VanDerWaalsContact O-N 3.17Å
50W96.7Very high97.3Very high16 Ų1668.1 Ų68.16%0.06137%0.373CS..Hα-helixtrans-71.4-13.1-175.853.6-105.5000114.3V27 F32 A48 Q53 Y170 N173 L178V27-W50 HydrophobicContact CB-CH2 4.46Å; V27-W50 HydrophobicContact CB-CZ2 4.46Å; V27-W50 HydrophobicContact CG2-CH2 3.88Å; V27-W50 HydrophobicContact CG2-CZ2 4.36Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.34Å; F32-W50 HydrophobicContact CB-CZ3 3.96Å; F32-W50 AromaticContact CD1-CH2 3.9Å; F32-W50 HydrophobicContact CD1-CH2 3.9Å; F32-W50 AromaticContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CZ3 4.2Å; F32-W50 AromaticContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CZ2 4.08Å; F32-W50 HydrophobicContact CG-CZ3 4.13Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.18Å; A48-W50 HydrophobicContact CB-CG 4.39Å; A48-W50 HydrophobicContact CB-CZ2 4Å; A48-W50 PolarHBondContact O-N 3.35Å; W50-Q53 WeakPolarHBondContact O-CG 3.48Å; W50-Y170 HydrophobicContact CE3-CD1 4.17Å; W50-Y170 HydrophobicContact CE3-CG 4.37Å; W50-Y170 HydrophobicContact CH2-CD1 4.48Å; W50-Y170 HydrophobicContact CH2-CD2 4.35Å; W50-Y170 HydrophobicContact CH2-CG 4.04Å; W50-Y170 AromaticContact CZ3-CD1 3.53Å; W50-Y170 HydrophobicContact CZ3-CD1 3.53Å; W50-Y170 HydrophobicContact CZ3-CD2 4.14Å; W50-Y170 HydrophobicContact CZ3-CE1 4.21Å; W50-Y170 AromaticContact CZ3-CG 3.5Å; W50-Y170 HydrophobicContact CZ3-CG 3.5Å; W50-Y170 VanDerWaalsContact CZ3-CG 3.5Å; W50-N173 HydrophobicContact CB-CB 4.4Å; W50-L178 HydrophobicContact CD2-CD1 4.37Å; W50-L178 HydrophobicContact CH2-CD1 4.44Å; W50-L178 HydrophobicContact CZ2-CD1 3.87Å; W50-L178 HydrophobicContact CZ2-CD2 4.22Å; W50-L178 HydrophobicContact CZ2-CG 4.49Å
51V97.5Very high97.3Very high0 Ų067.7 Ų67.70%035%0.346CS..Hα-helixtrans-95.3-14.8173.373.60000112.2F32 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-V51 HydrophobicContact CB-CG1 4.39Å; F32-V51 HydrophobicContact CD2-CB 4.4Å; F32-V51 HydrophobicContact CD2-CG1 4.45Å; F32-V51 HydrophobicContact CD2-CG2 4.1Å; F32-V51 VanDerWaalsContact O-CG1 3.27Å; F32-V51 WeakPolarHBondContact O-CG1 3.37Å; P46-V51 HydrophobicContact CB-CG1 3.81Å; A48-V51 VanDerWaalsContact O-CG1 3.23Å; A48-V51 WeakPolarHBondContact O-CG1 3.34Å; A48-V51 PolarHBondContact O-N 3.16Å; P49-V51 PolarHBondContact O-N 3.2Å; V51-Q53 PolarHBondContact O-N 3Å; V51-E54 HydrophobicContact CG2-CG 3.87Å; V51-E54 WeakPolarHBondContact O-CB 3.42Å; V51-E54 WeakPolarHBondContact O-CG 3.19Å; V51-E54 PolarHBondContact O-N 2.68Å; V51-Y58 HydrophobicContact CG2-CE1 4.18Å; V51-W59 HydrophobicContact CG1-CH2 4Å; V51-W59 HydrophobicContact CG1-CZ2 4.18Å; V51-W59 HydrophobicContact CG2-CH2 4Å; V51-W59 HydrophobicContact CG2-CZ2 4Å; V51-W59 WeakPolarHBondContact O-CZ2 3.2Å; V51-Y170 HydrophobicContact CG2-CE1 4.39Å
52E96.1Very high97.3Very high122 Ų12264.2 Ų64.257%0.5732%0.321SS*.Hα-helixtrans-64-24.7179.7-65.8179.8-176.900112.9P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.78Å; P46-E52 HydrophobicContact CG-CG 4.04Å; P49-E52 WeakPolarHBondContact O-CB 3.2Å; P49-E52 PolarHBondContact O-N 2.85Å; P49-E52 VanDerWaalsContact O-N 3.17Å; E52-E54 PolarHBondContact O-N 2.88Å
53Q95.4Very high97.4Very high119 Ų11963.3 Ų63.356%0.55632%0.315SS*.THydrogen-bonded Turntrans-71.6-10.7175.166.7179.11700114W50 V51 N173W50-Q53 WeakPolarHBondContact O-CG 3.48Å; V51-Q53 PolarHBondContact O-N 3Å; Q53-N173 VanDerWaalsContact NE2-CB 3.28Å; Q53-N173 PolarHBondContact NE2-ND2 3.23Å; Q53-N173 PolarHBondContact NE2-OD1 2.95Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.11Å
54E97.3Very high97.4Very high12 Ų1261.2 Ų61.26%0.05631%0.311CS..SBendtrans-67.3134.3173.7-62.7-59.6159.600110.5V51 E52 Y58 W59 R169 N173V51-E54 HydrophobicContact CG2-CG 3.87Å; V51-E54 WeakPolarHBondContact O-CB 3.42Å; V51-E54 WeakPolarHBondContact O-CG 3.19Å; V51-E54 PolarHBondContact O-N 2.68Å; E52-E54 PolarHBondContact O-N 2.88Å; E54-Y58 HydrophobicContact CB-CD1 3.55Å; E54-Y58 HydrophobicContact CB-CD2 4.48Å; E54-Y58 HydrophobicContact CB-CE1 4.18Å; E54-Y58 HydrophobicContact CB-CG 3.75Å; E54-Y58 HydrophobicContact CG-CD1 4.1Å; E54-Y58 HydrophobicContact CG-CD2 4.48Å; E54-Y58 HydrophobicContact CG-CE1 4.31Å; E54-Y58 HydrophobicContact CG-CG 4.2Å; E54-W59 PolarHBondContact O-NE1 2.81Å; E54-W59 VanDerWaalsContact O-NE1 3.08Å; E54-R169 IonicContact OE1-CZ 2.77Å; E54-R169 IonicContact OE1-NE 2.68Å; E54-R169 PolarHBondContact OE1-NE 2.89Å; E54-R169 IonicContact OE1-NH2 3.96Å; E54-R169 PolarHBondContact OE1-NH2 3.04Å; E54-R169 IonicContact OE2-CZ 2.69Å; E54-R169 IonicContact OE2-NE 2.94Å; E54-R169 PolarHBondContact OE2-NE 3.38Å; E54-R169 IonicContact OE2-NH2 3.3Å; E54-R169 PolarHBondContact OE2-NH2 2.74Å; E54-N173 PolarHBondContact OE1-ND2 3.32Å
55G96.4Very high97.4Very high36 Ų3664.2 Ų64.237%0.37132%0.323SS..  trans-69.6170.4-174.300000114.3E57 Y58 W59G55-E57 PolarHBondContact O-N 3.01Å; G55-Y58 WeakPolarHBondContact O-CB 3.49Å; G55-Y58 PolarHBondContact O-N 3Å; G55-W59 PolarHBondContact O-N 2.93Å
56P97.1Very high97.4Very high98 Ų9861.4 Ų61.464%0.63631%0.31SS*.Hα-helixtrans-57.1-35.8-178.622.8-33.6000113.1Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 3.31Å; P56-W59 PolarHBondContact O-N 2.79Å; P56-W59 VanDerWaalsContact O-N 3.14Å; P56-D60 WeakPolarHBondContact O-CB 3.49Å; P56-D60 PolarHBondContact O-N 2.91Å
57E97.7Very high97.5Very high166 Ų16663.2 Ų63.278%0.77631%0.313SS*.Hα-helixtrans-59.9-35.5177.9-62.8-180178.300113G55 R61G55-E57 PolarHBondContact O-N 3.01Å; E57-R61 WeakPolarHBondContact O-CB 3.42Å; E57-R61 PolarHBondContact O-N 3.18Å
58Y97.8Very high97.5Very high11 Ų1165.4 Ų65.44%0.04332%0.321CS..Hα-helixtrans-64.4-51.7174.6169.5-92000110.1V51 E54 G55 P56 D60 R61 E62 W166 Y170V51-Y58 HydrophobicContact CG2-CE1 4.18Å; E54-Y58 HydrophobicContact CB-CD1 3.55Å; E54-Y58 HydrophobicContact CB-CD2 4.48Å; E54-Y58 HydrophobicContact CB-CE1 4.18Å; E54-Y58 HydrophobicContact CB-CG 3.75Å; E54-Y58 HydrophobicContact CG-CD1 4.1Å; E54-Y58 HydrophobicContact CG-CD2 4.48Å; E54-Y58 HydrophobicContact CG-CE1 4.31Å; E54-Y58 HydrophobicContact CG-CG 4.2Å; G55-Y58 WeakPolarHBondContact O-CB 3.49Å; G55-Y58 PolarHBondContact O-N 3Å; P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 3.31Å; Y58-D60 PolarHBondContact O-N 2.97Å; Y58-R61 PolarHBondContact O-N 3.26Å; Y58-E62 HydrophobicContact CD1-CG 4.39Å; Y58-E62 HydrophobicContact CD2-CG 4.2Å; Y58-E62 HydrophobicContact CE1-CG 4Å; Y58-E62 HydrophobicContact CE2-CG 3.79Å; Y58-E62 HydrophobicContact CG-CG 4.48Å; Y58-E62 WeakPolarHBondContact O-CG 3.26Å; Y58-E62 PolarHBondContact O-N 2.68Å; Y58-W166 AromaticContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CZ2 4.2Å; Y58-W166 AromaticContact CD2-CZ3 3.8Å; Y58-W166 HydrophobicContact CD2-CZ3 3.8Å; Y58-W166 HydrophobicContact CE2-CE3 4.24Å; Y58-W166 AromaticContact CE2-CH2 3.88Å; Y58-W166 HydrophobicContact CE2-CH2 3.88Å; Y58-W166 HydrophobicContact CE2-CZ2 4.47Å; Y58-W166 AromaticContact CE2-CZ3 3.74Å; Y58-W166 HydrophobicContact CE2-CZ3 3.74Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.28Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.39Å; Y58-Y170 PolarHBondContact OH-OH 3.03Å
59W98.2Very high97.6Very high39 Ų3966.5 Ų66.515%0.14833%0.326CS..Hα-helixtrans-64.9-39-177.4-67.1111.9000113V33 P46 V51 E54 G55 P56 T63V33-W59 HydrophobicContact CG2-CZ3 3.98Å; P46-W59 HydrophobicContact CB-CH2 3.69Å; P46-W59 HydrophobicContact CB-CZ2 3.81Å; P46-W59 HydrophobicContact CG-CH2 4.32Å; P46-W59 HydrophobicContact CG-CZ2 4.28Å; V51-W59 HydrophobicContact CG1-CH2 4Å; V51-W59 HydrophobicContact CG1-CZ2 4.18Å; V51-W59 HydrophobicContact CG2-CH2 4Å; V51-W59 HydrophobicContact CG2-CZ2 4Å; V51-W59 WeakPolarHBondContact O-CZ2 3.2Å; E54-W59 PolarHBondContact O-NE1 2.81Å; E54-W59 VanDerWaalsContact O-NE1 3.08Å; G55-W59 PolarHBondContact O-N 2.93Å; P56-W59 PolarHBondContact O-N 2.79Å; P56-W59 VanDerWaalsContact O-N 3.14Å; W59-T63 WeakPolarHBondContact O-CB 3.49Å; W59-T63 PolarHBondContact O-N 3.27Å; W59-T63 PolarHBondContact O-OG1 2.8Å
60D98.2Very high97.6Very high106 Ų10662.3 Ų62.357%0.56730%0.3SS*.Hα-helixtrans-63.8-47174.5-74.9-22.7000110.6P56 Y58 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.49Å; P56-D60 PolarHBondContact O-N 2.91Å; Y58-D60 PolarHBondContact O-N 2.97Å; D60-T63 PolarHBondContact O-N 3.03Å; D60-Q64 VanDerWaalsContact O-CG 3.28Å; D60-Q64 WeakPolarHBondContact O-CG 3.44Å; D60-Q64 PolarHBondContact O-N 2.98Å
61R97.6Very high97.7Very high107 Ų10766.6 Ų66.640%0.40432%0.321SS..Hα-helixtrans-62.3-46.8178.7-173.5-17670.4-165.7-3.5112.1E57 Y58 Q64 K65E57-R61 WeakPolarHBondContact O-CB 3.42Å; E57-R61 PolarHBondContact O-N 3.18Å; Y58-R61 PolarHBondContact O-N 3.26Å; R61-Q64 PolarHBondContact O-N 3.05Å; R61-K65 WeakPolarHBondContact O-CG 3.45Å; R61-K65 PolarHBondContact O-N 2.99Å
62E97.8Very high97.8Very high8 Ų870.2 Ų70.24%0.03734%0.343CS..Hα-helixtrans-66.2-41.8178.7-64.8-43.4118.300111.2Y58 Q64 K65 Y66Y58-E62 HydrophobicContact CD1-CG 4.39Å; Y58-E62 HydrophobicContact CD2-CG 4.2Å; Y58-E62 HydrophobicContact CE1-CG 4Å; Y58-E62 HydrophobicContact CE2-CG 3.79Å; Y58-E62 HydrophobicContact CG-CG 4.48Å; Y58-E62 WeakPolarHBondContact O-CG 3.26Å; Y58-E62 PolarHBondContact O-N 2.68Å; E62-Q64 VanDerWaalsContact C-N 3.33Å; E62-Q64 PolarHBondContact O-N 2.66Å; E62-K65 WeakPolarHBondContact O-CB 3.35Å; E62-K65 PolarHBondContact O-N 3.5Å; E62-K65 VanDerWaalsContact O-N 3.11Å; E62-K65 IonicContact OE1-NZ 3.74Å; E62-K65 PolarHBondContact OE1-NZ 3.15Å; E62-K65 WeakPolarHBondContact OE2-CD 3.37Å; E62-K65 IonicContact OE2-NZ 3.17Å; E62-K65 PolarHBondContact OE2-NZ 3.29Å; E62-Y66 HydrophobicContact CB-CE2 4.01Å; E62-Y66 WeakPolarHBondContact O-CD2 3.31Å; E62-Y66 PolarHBondContact O-N 3.3Å
63T98.5Very high97.9Very high12 Ų1264.5 Ų64.57%0.07432%0.316CS..Hα-helixtrans-56.8-45.4174-64.50000111.9R43 G44 W59 D60 Y66 K67R43-T63 HydrophobicContact CB-CG2 4.27Å; G44-T63 PolarHBondContact N-OG1 2.63Å; W59-T63 WeakPolarHBondContact O-CB 3.49Å; W59-T63 PolarHBondContact O-N 3.27Å; W59-T63 PolarHBondContact O-OG1 2.8Å; D60-T63 PolarHBondContact O-N 3.03Å; T63-Y66 PolarHBondContact O-N 2.7Å; T63-K67 HydrophobicContact CG2-CD 4.19Å; T63-K67 WeakPolarHBondContact O-CG 3.34Å; T63-K67 PolarHBondContact O-N 2.8Å
64Q98.4Very high98Very high102 Ų10261.9 Ų61.948%0.47730%0.301SS..Hα-helixtrans-67.9-33.8177.5-67.3-58.8-26.800112.6D60 R61 E62 R68D60-Q64 VanDerWaalsContact O-CG 3.28Å; D60-Q64 WeakPolarHBondContact O-CG 3.44Å; D60-Q64 PolarHBondContact O-N 2.98Å; R61-Q64 PolarHBondContact O-N 3.05Å; E62-Q64 VanDerWaalsContact C-N 3.33Å; E62-Q64 PolarHBondContact O-N 2.66Å; Q64-R68 WeakPolarHBondContact O-CB 3.4Å; Q64-R68 WeakPolarHBondContact O-CG 3.44Å; Q64-R68 PolarHBondContact O-N 3.19Å; Q64-R68 PolarHBondContact O-NE 3.02Å
65K97.7Very high98Very high68 Ų6864.8 Ų64.830%0.29632%0.32SS..Hα-helixtrans-62.8-47.9172-74.2171.7179.6173.30111.2R61 E62 K67 R68 Q69R61-K65 WeakPolarHBondContact O-CG 3.45Å; R61-K65 PolarHBondContact O-N 2.99Å; E62-K65 WeakPolarHBondContact O-CB 3.35Å; E62-K65 PolarHBondContact O-N 3.5Å; E62-K65 VanDerWaalsContact O-N 3.11Å; E62-K65 IonicContact OE1-NZ 3.74Å; E62-K65 PolarHBondContact OE1-NZ 3.15Å; E62-K65 WeakPolarHBondContact OE2-CD 3.37Å; E62-K65 IonicContact OE2-NZ 3.17Å; E62-K65 PolarHBondContact OE2-NZ 3.29Å; K65-K67 PolarHBondContact O-N 3.25Å; K65-R68 PolarHBondContact O-N 3.42Å; K65-Q69 PolarHBondContact O-N 3.13Å
66Y98.6Very high98.1Very high0 Ų064.7 Ų64.70%031%0.314CS..Hα-helixtrans-61.6-44177.9-63.1-50.2000112.3Y8 F21 A23 V33 F35 E62 T63 R68 Q69 A70Y8-Y66 HydrophobicContact CE1-CD1 4.33Å; Y8-Y66 AromaticContact CE1-CE1 3.94Å; Y8-Y66 HydrophobicContact CE1-CE1 3.94Å; F21-Y66 HydrophobicContact CE1-CD1 4.34Å; A23-Y66 HydrophobicContact CB-CD1 3.65Å; A23-Y66 HydrophobicContact CB-CE1 3.63Å; V33-Y66 HydrophobicContact CG2-CE2 4.28Å; F35-Y66 HydrophobicContact CB-CD1 4.34Å; F35-Y66 HydrophobicContact CB-CD2 3.58Å; F35-Y66 HydrophobicContact CB-CE2 4.04Å; F35-Y66 HydrophobicContact CB-CG 3.76Å; F35-Y66 HydrophobicContact CD1-CG 4.33Å; F35-Y66 AromaticContact CD2-CD2 3.73Å; F35-Y66 HydrophobicContact CD2-CD2 3.73Å; F35-Y66 AromaticContact CD2-CG 3.96Å; F35-Y66 HydrophobicContact CD2-CG 3.96Å; F35-Y66 AromaticContact CG-CD2 3.81Å; F35-Y66 HydrophobicContact CG-CD2 3.81Å; F35-Y66 AromaticContact CG-CG 3.76Å; F35-Y66 HydrophobicContact CG-CG 3.76Å; E62-Y66 HydrophobicContact CB-CE2 4.01Å; E62-Y66 WeakPolarHBondContact O-CD2 3.31Å; E62-Y66 PolarHBondContact O-N 3.3Å; T63-Y66 PolarHBondContact O-N 2.7Å; Y66-R68 PolarHBondContact O-N 3.31Å; Y66-Q69 PolarHBondContact O-N 3.37Å; Y66-A70 PolarHBondContact O-N 2.77Å
67K98.4Very high98.2Very high84 Ų8460.5 Ų60.537%0.36529%0.285SS..Hα-helixtrans-60.8-42176.2-73.7179.2178.7177.60112.5F35 P42 T63 K65 Q71F35-K67 HydrophobicContact CE2-CG 4.2Å; F35-K67 HydrophobicContact CZ-CG 4Å; P42-K67 WeakPolarHBondContact O-CE 3.29Å; P42-K67 PolarHBondContact O-NZ 3.46Å; T63-K67 HydrophobicContact CG2-CD 4.19Å; T63-K67 WeakPolarHBondContact O-CG 3.34Å; T63-K67 PolarHBondContact O-N 2.8Å; K65-K67 PolarHBondContact O-N 3.25Å; K67-Q71 PolarHBondContact O-N 2.98Å
68R98.4Very high98.2Very high158 Ų15858.4 Ų58.460%0.59627%0.27SS*.Hα-helixtrans-64.9-43.6174.5-75.1-174-65.7-177.80.4111.7Q64 K65 Y66 A70 Q71 T72Q64-R68 WeakPolarHBondContact O-CB 3.4Å; Q64-R68 WeakPolarHBondContact O-CG 3.44Å; Q64-R68 PolarHBondContact O-N 3.19Å; Q64-R68 PolarHBondContact O-NE 3.02Å; K65-R68 PolarHBondContact O-N 3.42Å; Y66-R68 PolarHBondContact O-N 3.31Å; R68-A70 PolarHBondContact O-N 3.36Å; R68-Q71 PolarHBondContact O-N 2.94Å; R68-T72 PolarHBondContact O-N 2.86Å; R68-T72 PolarHBondContact O-OG1 3.47Å
69Q98.4Very high98.2Very high28 Ų2861.3 Ų61.313%0.13129%0.287CS..Hα-helixtrans-62.3-41.7177.7-172.767.755.700111.9Y8 F21 K65 Y66 Q71 T72 D73 R96Y8-Q69 HydrophobicContact CD2-CG 3.65Å; Y8-Q69 HydrophobicContact CE2-CB 4.39Å; Y8-Q69 HydrophobicContact CE2-CG 3.63Å; F21-Q69 HydrophobicContact CE2-CB 4.28Å; F21-Q69 HydrophobicContact CE2-CG 3.7Å; F21-Q69 HydrophobicContact CZ-CB 3.96Å; F21-Q69 HydrophobicContact CZ-CG 3.73Å; K65-Q69 PolarHBondContact O-N 3.13Å; Y66-Q69 PolarHBondContact O-N 3.37Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 3.2Å; Q69-T72 CarbonylContact O-C 3.6Å; Q69-T72 WeakPolarHBondContact O-CB 3.35Å; Q69-T72 PolarHBondContact O-N 3.03Å; Q69-T72 VanDerWaalsContact O-N 3.09Å; Q69-D73 PolarHBondContact NE2-OD1 3.42Å; Q69-D73 PolarHBondContact O-N 2.95Å; Q69-R96 VanDerWaalsContact OE1-NH1 3.09Å
70A98.5Very high98.2Very high17 Ų1759.8 Ų59.814%0.1428%0.281CS..Hα-helixtrans-57.8-39.7176.200000112.3F21 Y66 R68 R74F21-A70 HydrophobicContact CB-CB 3.65Å; F21-A70 HydrophobicContact CD1-CB 3.85Å; F21-A70 HydrophobicContact CD2-CB 4.25Å; F21-A70 HydrophobicContact CG-CB 3.65Å; Y66-A70 PolarHBondContact O-N 2.77Å; R68-A70 PolarHBondContact O-N 3.36Å; A70-R74 WeakPolarHBondContact O-CB 3.18Å; A70-R74 PolarHBondContact O-N 2.82Å
71Q98.3Very high98.2Very high106 Ų10657.8 Ų57.850%0.49527%0.266SS..Hα-helixtrans-68.9-40.9174.3-63.7-54.5-42.300112.2K67 R68 Q69 R74 V75K67-Q71 PolarHBondContact O-N 2.98Å; R68-Q71 PolarHBondContact O-N 2.94Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 3.2Å; Q71-R74 WeakPolarHBondContact O-CB 3.45Å; Q71-R74 PolarHBondContact O-N 2.82Å; Q71-V75 WeakPolarHBondContact O-CG2 3.44Å; Q71-V75 PolarHBondContact O-N 3.07Å
72T98.3Very high98.2Very high75 Ų7554.8 Ų54.846%0.4627%0.268SS..Hα-helixtrans-59.4-47174.1-610000111.2R68 Q69 R74 V75 S76R68-T72 PolarHBondContact O-N 2.86Å; R68-T72 PolarHBondContact O-OG1 3.47Å; Q69-T72 CarbonylContact O-C 3.6Å; Q69-T72 WeakPolarHBondContact O-CB 3.35Å; Q69-T72 PolarHBondContact O-N 3.03Å; Q69-T72 VanDerWaalsContact O-N 3.09Å; T72-R74 VanDerWaalsContact C-N 3.34Å; T72-R74 PolarHBondContact O-N 3.17Å; T72-V75 PolarHBondContact O-N 3.32Å; T72-V75 VanDerWaalsContact O-N 3.13Å; T72-S76 PolarHBondContact O-N 3.22Å; T72-S76 PolarHBondContact O-OG 3.44Å; T72-S76 VanDerWaalsContact O-OG 3.07Å
73D98.3Very high98.2Very high2 Ų256.9 Ų56.91%0.01128%0.276CS..Hα-helixtrans-68.8-34-177.5-71.9-3.7000112A10 F21 Q69 V75 S76 L77 L94A10-D73 HydrophobicContact CB-CB 3.71Å; F21-D73 VanDerWaalsContact CE2-OD2 3.23Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.4Å; Q69-D73 PolarHBondContact NE2-OD1 3.42Å; Q69-D73 PolarHBondContact O-N 2.95Å; D73-V75 VanDerWaalsContact C-N 3.32Å; D73-V75 PolarHBondContact O-N 2.88Å; D73-S76 PolarHBondContact O-N 3.26Å; D73-L77 WeakPolarHBondContact O-CB 3.43Å; D73-L77 WeakPolarHBondContact O-CG 3.23Å; D73-L77 PolarHBondContact O-N 3.22Å; D73-L94 HydrophobicContact CB-CD2 4.15Å
74R98.1Very high98.2Very high64 Ų6459.5 Ų59.524%0.24229%0.285CS..Hα-helixtrans-57.8-44.3169.6176.8-172.1-179-161.51.7112E18 P19 A70 Q71 T72 R78E18-R74 IonicContact OE1-CZ 3.6Å; E18-R74 VanDerWaalsContact OE1-CZ 3.3Å; E18-R74 IonicContact OE1-NE 3.48Å; E18-R74 IonicContact OE1-NH2 3.73Å; E18-R74 PolarHBondContact OE1-NH2 3.24Å; E18-R74 WeakPolarHBondContact OE2-CD 3.45Å; E18-R74 IonicContact OE2-CZ 3.6Å; E18-R74 IonicContact OE2-NE 3.05Å; E18-R74 PolarHBondContact OE2-NE 3.22Å; E18-R74 IonicContact OE2-NH2 3.82Å; E18-R74 PolarHBondContact OE2-NH2 3.22Å; P19-R74 HydrophobicContact CG-CB 4.42Å; P19-R74 HydrophobicContact CG-CG 4.24Å; A70-R74 WeakPolarHBondContact O-CB 3.18Å; A70-R74 PolarHBondContact O-N 2.82Å; Q71-R74 WeakPolarHBondContact O-CB 3.45Å; Q71-R74 PolarHBondContact O-N 2.82Å; T72-R74 VanDerWaalsContact C-N 3.34Å; T72-R74 PolarHBondContact O-N 3.17Å; R74-R78 VanDerWaalsContact CZ-NH2 3.31Å; R74-R78 PolarHBondContact O-N 3.34Å
75V98.1Very high98.1Very high73 Ų7361.9 Ų61.944%0.44230%0.301SS..Hα-helixtrans-69.3-42176.3175.50000110.6Q71 T72 D73 L77 R78 N79Q71-V75 WeakPolarHBondContact O-CG2 3.44Å; Q71-V75 PolarHBondContact O-N 3.07Å; T72-V75 PolarHBondContact O-N 3.32Å; T72-V75 VanDerWaalsContact O-N 3.13Å; D73-V75 VanDerWaalsContact C-N 3.32Å; D73-V75 PolarHBondContact O-N 2.88Å; V75-L77 PolarHBondContact O-N 3.05Å; V75-R78 PolarHBondContact O-N 2.9Å; V75-N79 PolarHBondContact O-N 2.83Å
76S98.3Very high98.1Very high35 Ų3561.4 Ų61.425%0.24530%0.3CS..Hα-helixtrans-58.8-45.2176.9-630000112T72 D73 R78 N79 L80T72-S76 PolarHBondContact O-N 3.22Å; T72-S76 PolarHBondContact O-OG 3.44Å; T72-S76 VanDerWaalsContact O-OG 3.07Å; D73-S76 PolarHBondContact O-N 3.26Å; S76-R78 VanDerWaalsContact C-N 3.29Å; S76-R78 PolarHBondContact O-N 3.32Å; S76-N79 PolarHBondContact O-N 2.88Å; S76-N79 VanDerWaalsContact O-N 3.14Å; S76-L80 WeakPolarHBondContact O-CB 3.2Å; S76-L80 VanDerWaalsContact O-CG 3.23Å; S76-L80 WeakPolarHBondContact O-CG 3.29Å; S76-L80 PolarHBondContact O-N 2.83Å
77L98.5Very high98Very high9 Ų965.3 Ų65.35%0.04733%0.327CS..Hα-helixtrans-58-39.6176.1-76.9167.1000112.3A10 P19 D73 V75 R81 H92 L94 Y117A10-L77 HydrophobicContact CB-CD1 3.96Å; P19-L77 HydrophobicContact CB-CD1 3.71Å; P19-L77 HydrophobicContact CG-CD1 3.85Å; D73-L77 WeakPolarHBondContact O-CB 3.43Å; D73-L77 WeakPolarHBondContact O-CG 3.23Å; D73-L77 PolarHBondContact O-N 3.22Å; V75-L77 PolarHBondContact O-N 3.05Å; L77-R81 WeakPolarHBondContact O-CB 3.41Å; L77-R81 PolarHBondContact O-N 2.8Å; L77-R81 VanDerWaalsContact O-N 3.07Å; L77-H92 HydrophobicContact CD2-CB 4.29Å; L77-L94 HydrophobicContact CD2-CB 3.7Å; L77-L94 HydrophobicContact CG-CB 4.11Å; L77-Y117 HydrophobicContact CD2-CE2 4.03Å
78R97.5Very high97.7Very high122 Ų12267.6 Ų67.646%0.4634%0.339SS..Hα-helixtrans-66.7-42.7175.2-66.8177-171.1173.2-0.1112.2R74 V75 S76 G82R74-R78 VanDerWaalsContact CZ-NH2 3.31Å; R74-R78 PolarHBondContact O-N 3.34Å; V75-R78 PolarHBondContact O-N 2.9Å; S76-R78 VanDerWaalsContact C-N 3.29Å; S76-R78 PolarHBondContact O-N 3.32Å; R78-G82 PolarHBondContact O-N 2.72Å
79N97.9Very high97.5Very high72 Ų7264 Ų6439%0.38534%0.343SS..Hα-helixtrans-64.6-46178.2-69.5-21.7000111.4V75 S76 G82 Y83V75-N79 PolarHBondContact O-N 2.83Å; S76-N79 PolarHBondContact O-N 2.88Å; S76-N79 VanDerWaalsContact O-N 3.14Å; N79-G82 WeakPolarHBondContact O-CA 3.14Å; N79-G82 PolarHBondContact O-N 2.95Å; N79-G82 VanDerWaalsContact O-N 3.11Å; N79-Y83 HydrophobicContact CB-CE2 4.46Å; N79-Y83 WeakPolarHBondContact O-CD1 3.47Å; N79-Y83 VanDerWaalsContact O-CG 3.31Å; N79-Y83 PolarHBondContact O-N 3.47Å
80L98.4Very high97.3Very high7 Ų764 Ų644%0.03735%0.35CS..Hα-helixtrans-60.2-47.6179.3-71.6164.3000111S76 G82 Y83 Y84 L94 Y117 Y122S76-L80 WeakPolarHBondContact O-CB 3.2Å; S76-L80 VanDerWaalsContact O-CG 3.23Å; S76-L80 WeakPolarHBondContact O-CG 3.29Å; S76-L80 PolarHBondContact O-N 2.83Å; L80-G82 PolarHBondContact O-N 2.89Å; L80-Y83 HydrophobicContact CD2-CD2 4.44Å; L80-Y83 PolarHBondContact O-N 3.14Å; L80-Y84 HydrophobicContact CD2-CE2 4.23Å; L80-Y84 VanDerWaalsContact O-CD2 3.24Å; L80-Y84 WeakPolarHBondContact O-CD2 3.45Å; L80-Y84 PolarHBondContact O-N 3.34Å; L80-L94 HydrophobicContact CD1-CD1 3.85Å; L80-L94 HydrophobicContact CD1-CD2 4.29Å; L80-L94 HydrophobicContact CD1-CG 4.5Å; L80-Y117 HydrophobicContact CB-CD1 4.47Å; L80-Y117 HydrophobicContact CB-CD2 4.11Å; L80-Y117 HydrophobicContact CB-CE1 4.14Å; L80-Y117 HydrophobicContact CB-CE2 3.73Å; L80-Y117 HydrophobicContact CB-CG 4.45Å; L80-Y117 HydrophobicContact CD1-CD2 3.57Å; L80-Y117 HydrophobicContact CD1-CE2 3.89Å; L80-Y117 HydrophobicContact CD1-CG 4.12Å; L80-Y117 HydrophobicContact CD2-CG 4.48Å; L80-Y117 HydrophobicContact CG-CD2 4.32Å; L80-Y117 HydrophobicContact CG-CE2 4.39Å; L80-Y122 HydrophobicContact CD2-CD1 4.32Å; L80-Y122 HydrophobicContact CD2-CD2 4.07Å; L80-Y122 HydrophobicContact CD2-CE1 3.76Å; L80-Y122 HydrophobicContact CD2-CE2 3.46Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.46Å; L80-Y122 HydrophobicContact CD2-CG 4.47Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.43Å
81R97.5Very high97.3Very high64 Ų6466.9 Ų66.924%0.24237%0.37CS..Hα-helixtrans-52.6-43173.4-173.2-172.265.7-177.79.6112L77 N85 Q86 E88L77-R81 WeakPolarHBondContact O-CB 3.41Å; L77-R81 PolarHBondContact O-N 2.8Å; L77-R81 VanDerWaalsContact O-N 3.07Å; R81-N85 PolarHBondContact O-N 2.85Å; R81-N85 VanDerWaalsContact O-N 3.13Å; R81-Q86 HydrophobicContact CG-CB 3.76Å; R81-Q86 WeakPolarHBondContact CG-O 3.3Å; R81-Q86 PolarHBondContact O-N 2.87Å; R81-E88 IonicContact CZ-OE1 3.97Å; R81-E88 VanDerWaalsContact CZ-OE1 3.3Å; R81-E88 IonicContact NH1-OE1 3.44Å; R81-E88 PolarHBondContact NH1-OE1 3.38Å; R81-E88 IonicContact NH2-OE1 2.72Å; R81-E88 PolarHBondContact NH2-OE1 3.35Å
82G97.6Very high97.3Very high44 Ų4462.7 Ų62.745%0.45435%0.35SS..Hα-helixtrans-64.8-45.9175.100000113.1R78 N79 L80 Y84 N85R78-G82 PolarHBondContact O-N 2.72Å; N79-G82 WeakPolarHBondContact O-CA 3.14Å; N79-G82 PolarHBondContact O-N 2.95Å; N79-G82 VanDerWaalsContact O-N 3.11Å; L80-G82 PolarHBondContact O-N 2.89Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 2.89Å; G82-N85 PolarHBondContact O-N 2.94Å; G82-N85 VanDerWaalsContact O-N 3.16Å
83Y98.1Very high97.3Very high53 Ų5360.9 Ų60.921%0.20834%0.339CS..Hα-helixtrans-61.8-33.8179.1-61.4-18.8000113N79 L80 I141 K145N79-Y83 HydrophobicContact CB-CE2 4.46Å; N79-Y83 WeakPolarHBondContact O-CD1 3.47Å; N79-Y83 VanDerWaalsContact O-CG 3.31Å; N79-Y83 PolarHBondContact O-N 3.47Å; L80-Y83 HydrophobicContact CD2-CD2 4.44Å; L80-Y83 PolarHBondContact O-N 3.14Å; Y83-I141 HydrophobicContact CD1-CD1 4.03Å; Y83-I141 HydrophobicContact CE1-CD1 4.34Å; Y83-I141 HydrophobicContact CE1-CG2 3.91Å; Y83-I141 HydrophobicContact CE2-CB 4.35Å; Y83-I141 HydrophobicContact CE2-CG2 4.2Å; Y83-I141 HydrophobicContact CG-CD1 4.19Å; Y83-K145 PolarHBondContact OH-NZ 2.9Å
84Y98.1Very high97.4Very high67 Ų6761 Ų6126%0.26334%0.34SS..THydrogen-bonded Turntrans-93.74.4178.9-69.9-71.6000114L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.23Å; L80-Y84 VanDerWaalsContact O-CD2 3.24Å; L80-Y84 WeakPolarHBondContact O-CD2 3.45Å; L80-Y84 PolarHBondContact O-N 3.34Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 2.89Å; Y84-Q86 PolarHBondContact O-N 2.98Å; Y84-Y117 AromaticContact CD2-CD1 3.71Å; Y84-Y117 HydrophobicContact CD2-CD1 3.71Å; Y84-Y117 AromaticContact CD2-CE1 3.5Å; Y84-Y117 HydrophobicContact CD2-CE1 3.5Å; Y84-Y117 AromaticContact CE2-CD1 3.5Å; Y84-Y117 HydrophobicContact CE2-CD1 3.5Å; Y84-Y117 AromaticContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CG 4.45Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Y84-Y122 HydrophobicContact CE2-CD2 4.41Å; Y84-Y122 HydrophobicContact CE2-CE2 4.13Å; Y84-Y122 WeakPolarHBondContact OH-CD2 2.8Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.15Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.44Å; Y84-D136 VanDerWaalsContact OH-CG 3.28Å; Y84-D136 PolarHBondContact OH-OD1 2.88Å; Y84-D136 PolarHBondContact OH-OD2 2.91Å; Y84-A138 HydrophobicContact CD1-CB 4.19Å; Y84-A138 HydrophobicContact CD2-CB 4.42Å; Y84-A138 HydrophobicContact CE1-CB 3.65Å; Y84-A138 HydrophobicContact CE2-CB 3.9Å; Y84-A138 VanDerWaalsContact CZ-CB 3.49Å
85N97.2Very high97.4Very high151 Ų15161.8 Ų61.881%0.80735%0.346SS*.THydrogen-bonded Turntrans51.939.8-177.3-56.4-57.3000113.2R81 G82R81-N85 PolarHBondContact O-N 2.85Å; R81-N85 VanDerWaalsContact O-N 3.13Å; G82-N85 PolarHBondContact O-N 2.94Å; G82-N85 VanDerWaalsContact O-N 3.16Å
86Q97.7Very high97.4Very high59 Ų5958.8 Ų58.828%0.27633%0.327SS..  trans-88152.3-176.2-71.6169.1-33.200112R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.76Å; R81-Q86 WeakPolarHBondContact CG-O 3.3Å; R81-Q86 PolarHBondContact O-N 2.87Å; Y84-Q86 PolarHBondContact O-N 2.98Å; Q86-H92 PolarHBondContact NE2-CE1 3.07Å; Q86-H92 PolarHBondContact OE1-CE1 3.49Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.27Å; Q86-Y117 PolarHBondContact OE1-OH 3.38Å; Q86-D118 PolarHBondContact NE2-OD2 2.84Å
87S95.9Very high97.5Very high81 Ų8158.3 Ų58.357%0.56632%0.321SS*.  trans-67.9150.3178.1175.90000112.5A89 G90S87-A89 PolarHBondContact O-N 2.93Å; S87-A89 PolarHBondContact OG-N 2.83Å; S87-G90 PolarHBondContact O-N 3.46Å
88E93.6Very high97.5Very high133 Ų13358.9 Ų58.962%0.62132%0.323SS*.THydrogen-bonded Turntrans-69.5-19.2174.4-54.9-151.812900114P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.48Å; P14-E88 WeakPolarHBondContact CG-O 3.47Å; R81-E88 IonicContact CZ-OE1 3.97Å; R81-E88 VanDerWaalsContact CZ-OE1 3.3Å; R81-E88 IonicContact NH1-OE1 3.44Å; R81-E88 PolarHBondContact NH1-OE1 3.38Å; R81-E88 IonicContact NH2-OE1 2.72Å; R81-E88 PolarHBondContact NH2-OE1 3.35Å; E88-G90 VanDerWaalsContact C-N 3.29Å
89A93.8Very high97.5Very high82 Ų8253 Ų5368%0.67830%0.301SS*.THydrogen-bonded Turntrans-77.9-15.3-179.200000113.1S87S87-A89 PolarHBondContact O-N 2.93Å; S87-A89 PolarHBondContact OG-N 2.83Å
90G94.6Very high97.6Very high27 Ų2749.6 Ų49.628%0.27828%0.282SS..  trans-75.8135.9-177.900000113.2P14 S87 E88 H92P14-G90 VanDerWaalsContact CG-O 3.26Å; P14-G90 WeakPolarHBondContact CG-O 3.36Å; S87-G90 PolarHBondContact O-N 3.46Å; E88-G90 VanDerWaalsContact C-N 3.29Å; G90-H92 PolarHBondContact O-CD2 2.81Å; G90-H92 VanDerWaalsContact O-CD2 3.26Å
91S97.8Very high97.6Very high78 Ų7850.5 Ų50.555%0.54529%0.287SS..  trans-80.1131.7164.1-179.20000108.9S12S12-S91 PolarHBondContact O-OG 3.45Å
92H98.5Very high97.6Very high19 Ų1947.6 Ų47.69%0.08828%0.276CS..  trans-132.5151.3-176.8-65.3-72.4000110.7V11 S12 L77 Q86 G90 Y117 D118V11-H92 WeakPolarHBondContact CA-O 3.43Å; S12-H92 PolarHBondContact N-O 3.06Å; S12-H92 PolarHBondContact OG-N 3.01Å; S12-H92 PolarHBondContact OG-O 3.11Å; L77-H92 HydrophobicContact CD2-CB 4.29Å; Q86-H92 PolarHBondContact NE2-CE1 3.07Å; Q86-H92 PolarHBondContact OE1-CE1 3.49Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.27Å; G90-H92 PolarHBondContact O-CD2 2.81Å; G90-H92 VanDerWaalsContact O-CD2 3.26Å; H92-Y117 HydrophobicContact CB-CE2 3.86Å; H92-Y117 WeakPolarHBondContact CB-OH 3.4Å; H92-Y117 AromaticContact CG-CZ 4Å; H92-Y117 AromaticContact ND1-CZ 3.92Å; H92-Y117 PolarHBondContact ND1-OH 2.82Å; H92-D118 WeakPolarHBondContact CA-OD1 3.49Å; H92-D118 IonicContact CE1-OD2 3.53Å; H92-D118 IonicContact CG-OD1 2.7Å; H92-D118 IonicContact CG-OD2 3.41Å; H92-D118 IonicContact ND1-OD1 3.57Å; H92-D118 IonicContact ND1-OD2 3.45Å; H92-D118 PolarHBondContact ND1-OD2 3.22Å
93T98.8Very high97.5Very high37 Ų3745.9 Ų45.923%0.22726%0.259CS..EExtended strand (participates in β ladder)trans-121.6129.3-175.9-56.40000110.6T9 A10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 4.03Å; A10-T93 WeakPolarHBondContact O-CA 3.42Å; V11-T93 HydrophobicContact CG2-CG2 4.27Å; T93-Q95 HydrophobicContact CG2-CG 3.95Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.23Å; T93-Y117 VanDerWaalsContact O-CD2 3.29Å; T93-Y117 WeakPolarHBondContact O-CD2 3.33Å; T93-D118 PolarHBondContact N-OD1 3.07Å; T93-D118 PolarHBondContact O-N 3.2Å
94L98.9Very high97.3Very high4 Ų449.2 Ų49.22%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-113.3124.3168.7176.362.4000108.5A10 D73 L77 L80 F115A10-L94 HydrophobicContact CB-CB 4.42Å; A10-L94 PolarHBondContact N-O 3.01Å; A10-L94 PolarHBondContact O-N 2.88Å; D73-L94 HydrophobicContact CB-CD2 4.15Å; L77-L94 HydrophobicContact CD2-CB 3.7Å; L77-L94 HydrophobicContact CG-CB 4.11Å; L80-L94 HydrophobicContact CD1-CD1 3.85Å; L80-L94 HydrophobicContact CD1-CD2 4.29Å; L80-L94 HydrophobicContact CD1-CG 4.5Å; L94-F115 HydrophobicContact CD1-CD1 4.15Å
95Q98.9Very high97Very high81 Ų8150.8 Ų50.838%0.37930%0.3SS..EExtended strand (participates in β ladder)trans-116.8146.2176.3-69.4169.7-7600110Y8 T9 T93 F115 A116Y8-Q95 VanDerWaalsContact O-CA 3.3Å; Y8-Q95 WeakPolarHBondContact O-CA 3.26Å; T9-Q95 HydrophobicContact CG2-CG 4.18Å; T93-Q95 HydrophobicContact CG2-CG 3.95Å; Q95-F115 CarbonylContact O-C 3.52Å; Q95-F115 WeakPolarHBondContact O-CA 3.12Å; Q95-A116 HydrophobicContact CB-CB 4.34Å; Q95-A116 PolarHBondContact N-O 3.39Å; Q95-A116 PolarHBondContact O-N 2.98Å
96R98.8Very high96.7Very high10 Ų1044.5 Ų44.54%0.03827%0.271CS..EExtended strand (participates in β ladder)trans-136.5133.1173.5-176.6-169.4-177.8-171-6.6109.8F7 Y8 Q69 Y98 N113 Q114 F115 R155F7-R96 WeakPolarHBondContact CA-O 3.46Å; Y8-R96 PolarHBondContact N-O 2.96Å; Y8-R96 PolarHBondContact O-N 3.31Å; Q69-R96 VanDerWaalsContact OE1-NH1 3.09Å; R96-Y98 HydrophobicContact CG-CD1 4.29Å; R96-N113 PolarHBondContact NE-OD1 2.91Å; R96-N113 PolarHBondContact NH2-OD1 3.46Å; R96-Q114 WeakPolarHBondContact CA-O 3.11Å; R96-F115 HydrophobicContact CB-CD1 3.75Å; R96-F115 HydrophobicContact CB-CE1 3.71Å; R96-F115 HydrophobicContact CB-CG 4.39Å; R96-F115 HydrophobicContact CB-CZ 4.28Å; R96-F115 VanDerWaalsContact CD-CE1 3.44Å; R96-F115 HydrophobicContact CG-CD1 3.86Å; R96-F115 HydrophobicContact CG-CD2 4.28Å; R96-F115 HydrophobicContact CG-CE1 3.5Å; R96-F115 HydrophobicContact CG-CE2 3.92Å; R96-F115 HydrophobicContact CG-CG 4.25Å; R96-F115 HydrophobicContact CG-CZ 3.54Å; R96-F115 VanDerWaalsContact NE-CZ 3.31Å; R96-R155 VanDerWaalsContact NH2-CZ 3.31Å
97M98.8Very high96.6Very high25 Ų2549.9 Ų49.912%0.12329%0.289CS..EExtended strand (participates in β ladder)trans-120.6131.3166.3-175.7-79.1-73.800109Y6 F7 Y112 N113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.28Å; F7-M97 HydrophobicContact CD1-CB 4.05Å; F7-M97 HydrophobicContact CD1-CG 3.71Å; F7-M97 HydrophobicContact CE1-CB 4.22Å; F7-M97 HydrophobicContact CE1-CG 3.45Å; F7-M97 VanDerWaalsContact CE1-CG 3.45Å; F7-M97 HydrophobicContact CZ-CG 4.13Å; M97-Y112 HydrophobicContact CE-CD1 4.14Å; M97-Y112 HydrophobicContact CE-CG 4.17Å; M97-Y112 HydrophobicContact SD-CG 4.48Å; M97-N113 WeakPolarHBondContact O-CA 3.29Å; M97-Q114 HydrophobicContact CB-CG 4.2Å; M97-Q114 HydrophobicContact CE-CG 4.01Å; M97-Q114 PolarHBondContact N-O 2.76Å; M97-Q114 PolarHBondContact O-N 3.33Å
98Y98.8Very high96.7Very high20 Ų2048.7 Ų48.78%0.07828%0.275CS..EExtended strand (participates in β ladder)trans-147.3156.1171.773-84.7000110.8Y6 Y8 R96 Y112 N113 Y158Y6-Y98 VanDerWaalsContact CB-CE1 3.46Å; Y6-Y98 AromaticContact CD2-CE2 3.74Å; Y6-Y98 HydrophobicContact CD2-CE2 3.74Å; Y6-Y98 AromaticContact CD2-CZ 3.7Å; Y6-Y98 HydrophobicContact CE2-CE2 4.49Å; Y6-Y98 HydrophobicContact CG-CE1 4.17Å; Y6-Y98 HydrophobicContact CG-CE2 4.21Å; Y6-Y98 AromaticContact CG-CZ 3.7Å; Y6-Y98 PolarHBondContact N-O 2.8Å; Y6-Y98 PolarHBondContact O-N 2.92Å; Y6-Y98 VanDerWaalsContact O-N 3.15Å; Y8-Y98 HydrophobicContact CD2-CE1 4.24Å; Y8-Y98 HydrophobicContact CE1-CE1 4.08Å; Y8-Y98 AromaticContact CE2-CE1 3.61Å; Y8-Y98 HydrophobicContact CE2-CE1 3.61Å; Y8-Y98 AromaticContact CZ-CE1 3.55Å; Y8-Y98 AromaticContact CZ-CZ 3.98Å; Y8-Y98 PolarHBondContact OH-OH 3.35Å; R96-Y98 HydrophobicContact CG-CD1 4.29Å; Y98-Y112 WeakPolarHBondContact CA-O 3.5Å; Y98-Y112 VanDerWaalsContact CB-O 3.24Å; Y98-Y112 WeakPolarHBondContact CB-O 3.36Å; Y98-N113 WeakPolarHBondContact CB-OD1 3.21Å; Y98-Y158 AromaticContact CD2-CE1 3.78Å; Y98-Y158 HydrophobicContact CD2-CE1 3.78Å; Y98-Y158 AromaticContact CE2-CE1 3.63Å; Y98-Y158 HydrophobicContact CE2-CE1 3.63Å; Y98-Y158 AromaticContact CE2-CZ 3.82Å
99G98.7Very high96.9Very high0 Ų048.3 Ų48.30%028%0.277CS..EExtended strand (participates in β ladder)trans161.8-176.6-175.300000113.6M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.6Å; M4-G99 WeakPolarHBondContact O-CA 3.5Å; G99-G111 CarbonylContact O-C 3.48Å; G99-G111 WeakPolarHBondContact O-CA 3.37Å; G99-Y112 PolarHBondContact N-O 3.36Å; G99-Y112 VanDerWaalsContact N-O 3.08Å; G99-Y112 PolarHBondContact O-N 3.35Å; G99-L159 WeakPolarHBondContact O-CD2 3.44Å
100C98.8Very high97.1Very high0 Ų049 Ų490%026%0.262CS..EExtended strand (participates in β ladder)trans-134.3146.8-176.651.40000110.8S3 M4 L108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.13Å; M4-C100 PolarHBondContact N-O 2.91Å; M4-C100 PolarHBondContact O-N 3.22Å; C100-L108 HydrophobicContact CB-CD1 3.6Å; C100-R110 CarbonylContact C-O 3.56Å; C100-R110 WeakPolarHBondContact CA-O 3.16Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.26Å; C100-C163 PolarHBondContact N-SG 3.14Å; C100-C163 WeakPolarHBondContact SG-CB 3.31Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.19Å
101D98.6Very high97.3Very high25 Ų2547.9 Ų47.913%0.13425%0.251CS..EExtended strand (participates in β ladder)trans-109.6136.3171.6-60-12.6000108.8H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.58Å; H2-D101 WeakPolarHBondContact O-CA 3.33Å; S3-D101 WeakPolarHBondContact CB-OD1 3.38Å; R5-D101 IonicContact CZ-OD1 2.66Å; R5-D101 IonicContact NE-OD1 3.51Å; R5-D101 PolarHBondContact NE-OD1 3.18Å; R5-D101 VanDerWaalsContact NH2-CG 3.34Å; R5-D101 IonicContact NH2-OD1 2.78Å; R5-D101 PolarHBondContact NH2-OD1 3.49Å; R5-D101 IonicContact NH2-OD2 2.77Å; R5-D101 PolarHBondContact NH2-OD2 2.89Å; R5-D101 VanDerWaalsContact NH2-OD2 3.11Å; D101-L109 HydrophobicContact CB-CB 4.45Å; D101-L109 PolarHBondContact O-N 2.73Å; D101-R110 PolarHBondContact N-O 2.93Å; D101-R110 PolarHBondContact O-N 3.38Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.18Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.3Å; D101-Y112 PolarHBondContact OD2-OH 2.8Å
102L98.1Very high97.3Very high3 Ų345.8 Ų45.82%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-108.3136173.9-55.7-177.2000110.8S1 H2 R107 V164 L167 R168S1-L102 VanDerWaalsContact CA-O 3.3Å; S1-L102 WeakPolarHBondContact CA-O 3.42Å; S1-L102 VanDerWaalsContact CB-O 3.28Å; S1-L102 WeakPolarHBondContact CB-O 3.31Å; H2-L102 PolarHBondContact N-O 3.15Å; H2-L102 VanDerWaalsContact N-O 3.11Å; H2-L102 PolarHBondContact O-N 3.07Å; L102-R107 CarbonylContact C-O 3.59Å; L102-R107 VanDerWaalsContact CA-O 3.25Å; L102-R107 WeakPolarHBondContact CA-O 3.4Å; L102-V164 HydrophobicContact CD2-CB 4.24Å; L102-V164 HydrophobicContact CD2-CG1 3.84Å; L102-V164 HydrophobicContact CD2-CG2 3.88Å; L102-L167 HydrophobicContact CD1-CB 4.27Å; L102-L167 HydrophobicContact CD1-CD2 3.65Å; L102-L167 HydrophobicContact CD1-CG 3.74Å; L102-L167 HydrophobicContact CG-CD2 3.58Å; L102-L167 HydrophobicContact CG-CG 4.26Å; L102-R168 HydrophobicContact CD1-CG 3.99Å
103G95.9Very high97.3Very high9 Ų945 Ų459%0.09323%0.227CC..  trans-67.6173.8167.200000112.3D105 G106 R107G103-D105 PolarHBondContact O-N 3.08Å; G103-G106 WeakPolarHBondContact O-CA 3.38Å; G103-G106 PolarHBondContact O-N 3.03Å; G103-R107 PolarHBondContact N-O 2.72Å
104P92.2Very high97.3Very high123 Ų12346.5 Ų46.580%0.79923%0.232SC*.THydrogen-bonded Turntrans-59.9-25.7176.2-23.234.3000114G106P104-G106 PolarHBondContact O-N 3.21Å
105D92.8Very high97.3Very high100 Ų10047.3 Ų47.354%0.53524%0.235SC..THydrogen-bonded Turntrans-79.32174.369.4-15000113.2G103 R107G103-D105 PolarHBondContact O-N 3.08Å; D105-R107 PolarHBondContact O-N 2.78Å; D105-R107 WeakPolarHBondContact OD1-CB 3.37Å; D105-R107 PolarHBondContact OD1-N 3.36Å; D105-R107 WeakPolarHBondContact OD2-CD 3.43Å; D105-R107 WeakPolarHBondContact OD2-CG 3.31Å; D105-R107 IonicContact OD2-NE 3.72Å
106G91.7Very high97.3Very high19 Ų1944.1 Ų44.120%0.19622%0.223CC..SBendtrans72.59.1-17900000114.1G103 P104 R168G103-G106 WeakPolarHBondContact O-CA 3.38Å; G103-G106 PolarHBondContact O-N 3.03Å; P104-G106 PolarHBondContact O-N 3.21Å; G106-R168 VanDerWaalsContact O-CZ 3.3Å; G106-R168 PolarHBondContact O-NE 3.31Å; G106-R168 PolarHBondContact O-NH2 3.12Å
107R95.8Very high97.3Very high172 Ų17244.1 Ų44.165%0.64922%0.223SC*.SBendtrans-86.9154.4176.9-63.2-173.3-178.4165.4-3.1111.2L102 G103 D105 L109L102-R107 CarbonylContact C-O 3.59Å; L102-R107 VanDerWaalsContact CA-O 3.25Å; L102-R107 WeakPolarHBondContact CA-O 3.4Å; G103-R107 PolarHBondContact N-O 2.72Å; D105-R107 PolarHBondContact O-N 2.78Å; D105-R107 WeakPolarHBondContact OD1-CB 3.37Å; D105-R107 PolarHBondContact OD1-N 3.36Å; D105-R107 WeakPolarHBondContact OD2-CD 3.43Å; D105-R107 WeakPolarHBondContact OD2-CG 3.31Å; D105-R107 IonicContact OD2-NE 3.72Å; R107-L109 PolarHBondContact O-N 3.4Å; R107-L109 VanDerWaalsContact O-N 3.14Å
108L97.9Very high97.3Very high55 Ų5546 Ų4629%0.28823%0.233SC..EExtended strand (participates in β ladder)trans-59.1118.3175.4-177.771.5000109.5C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.6Å; L108-R110 WeakPolarHBondContact CD1-O 3.48Å; L108-L129 HydrophobicContact CD2-CD1 4.28Å; L108-E160 HydrophobicContact CD2-CB 4.41Å; L108-E160 HydrophobicContact CD2-CG 3.7Å; L108-V164 HydrophobicContact CB-CG2 4.01Å; L108-V164 HydrophobicContact CD1-CG2 4.01Å
109L97.6Very high97.3Very high126 Ų12647.9 Ų47.966%0.6626%0.259SS*.EExtended strand (participates in β ladder)trans-89.5-45.1171.5-177.765.5000110.3D101 R107D101-L109 HydrophobicContact CB-CB 4.45Å; D101-L109 PolarHBondContact O-N 2.73Å; R107-L109 PolarHBondContact O-N 3.4Å; R107-L109 VanDerWaalsContact O-N 3.14Å
110R97.6Very high97.3Very high95 Ų9555.4 Ų55.436%0.35829%0.292SS..EExtended strand (participates in β ladder)trans-157.3145.1-176.7-174164.2169.4153.210.8111.9C100 D101 L108 Y112 E127C100-R110 CarbonylContact C-O 3.56Å; C100-R110 WeakPolarHBondContact CA-O 3.16Å; D101-R110 PolarHBondContact N-O 2.93Å; D101-R110 PolarHBondContact O-N 3.38Å; L108-R110 WeakPolarHBondContact CD1-O 3.48Å; R110-Y112 HydrophobicContact CB-CE2 4.11Å; R110-Y112 VanDerWaalsContact CD-CZ 3.47Å; R110-Y112 VanDerWaalsContact CD-OH 3.24Å; R110-Y112 WeakPolarHBondContact CD-OH 3.34Å; R110-Y112 HydrophobicContact CG-CD2 4.45Å; R110-Y112 HydrophobicContact CG-CE1 4.13Å; R110-Y112 HydrophobicContact CG-CE2 3.76Å; R110-Y112 PolarHBondContact NE-OH 3.33Å; R110-E127 VanDerWaalsContact CZ-CD 3.41Å; R110-E127 IonicContact CZ-OE1 3.36Å; R110-E127 IonicContact NE-OE1 2.72Å; R110-E127 VanDerWaalsContact NH1-CD 3.31Å; R110-E127 IonicContact NH1-OE1 3.9Å; R110-E127 PolarHBondContact NH1-OE1 3.11Å; R110-E127 IonicContact NH1-OE2 3.38Å; R110-E127 VanDerWaalsContact NH2-CG 3.32Å; R110-E127 IonicContact NH2-OE1 3.45Å; R110-E127 PolarHBondContact NH2-OE1 3.25Å
111G98.4Very high97.3Very high4 Ų461.3 Ų61.34%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-115.4152171.300000111.6G99G99-G111 CarbonylContact O-C 3.48Å; G99-G111 WeakPolarHBondContact O-CA 3.37Å
112Y98.6Very high97.3Very high35 Ų3560.6 Ų60.614%0.13732%0.319CS..EExtended strand (participates in β ladder)trans-133.2143.1-178.6-54.1-98.3000110.5R5 M97 Y98 G99 D101 R110R5-Y112 VanDerWaalsContact NH2-CZ 3.34Å; R5-Y112 PolarHBondContact NH2-OH 3.36Å; M97-Y112 HydrophobicContact CE-CD1 4.14Å; M97-Y112 HydrophobicContact CE-CG 4.17Å; M97-Y112 HydrophobicContact SD-CG 4.48Å; Y98-Y112 WeakPolarHBondContact CA-O 3.5Å; Y98-Y112 VanDerWaalsContact CB-O 3.24Å; Y98-Y112 WeakPolarHBondContact CB-O 3.36Å; G99-Y112 PolarHBondContact N-O 3.36Å; G99-Y112 VanDerWaalsContact N-O 3.08Å; G99-Y112 PolarHBondContact O-N 3.35Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.18Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.3Å; D101-Y112 PolarHBondContact OD2-OH 2.8Å; R110-Y112 HydrophobicContact CB-CE2 4.11Å; R110-Y112 VanDerWaalsContact CD-CZ 3.47Å; R110-Y112 VanDerWaalsContact CD-OH 3.24Å; R110-Y112 WeakPolarHBondContact CD-OH 3.34Å; R110-Y112 HydrophobicContact CG-CD2 4.45Å; R110-Y112 HydrophobicContact CG-CE1 4.13Å; R110-Y112 HydrophobicContact CG-CE2 3.76Å; R110-Y112 PolarHBondContact NE-OH 3.33Å
113N98.7Very high97.3Very high1 Ų160.6 Ų60.61%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-158.4101.9163.2-179.759.8000108.6R96 M97 Y98 L125 W132R96-N113 PolarHBondContact NE-OD1 2.91Å; R96-N113 PolarHBondContact NH2-OD1 3.46Å; M97-N113 WeakPolarHBondContact O-CA 3.29Å; Y98-N113 WeakPolarHBondContact CB-OD1 3.21Å; N113-L125 HydrophobicContact CB-CB 4.1Å; N113-L125 HydrophobicContact CB-CD2 4.23Å; N113-L125 WeakPolarHBondContact O-CB 3.39Å; N113-L125 PolarHBondContact O-N 2.93Å; N113-W132 WeakPolarHBondContact ND2-CH2 3.44Å
114Q98.8Very high97.5Very high69 Ų6961.7 Ų61.732%0.32233%0.327SS..EExtended strand (participates in β ladder)trans-135.7151-173.765-16664.700111.5R96 M97 I123 A124R96-Q114 WeakPolarHBondContact CA-O 3.11Å; M97-Q114 HydrophobicContact CB-CG 4.2Å; M97-Q114 HydrophobicContact CE-CG 4.01Å; M97-Q114 PolarHBondContact N-O 2.76Å; M97-Q114 PolarHBondContact O-N 3.33Å; Q114-I123 WeakPolarHBondContact CA-O 3.4Å; Q114-A124 HydrophobicContact CB-CB 3.85Å
115F98.9Very high97.8Very high21 Ų2156.4 Ų56.49%0.09229%0.292CS..EExtended strand (participates in β ladder)trans-128.2145.2-177.4-66-105.1000110.5L94 Q95 R96 Y122 I123 W146L94-F115 HydrophobicContact CD1-CD1 4.15Å; Q95-F115 CarbonylContact O-C 3.52Å; Q95-F115 WeakPolarHBondContact O-CA 3.12Å; R96-F115 HydrophobicContact CB-CD1 3.75Å; R96-F115 HydrophobicContact CB-CE1 3.71Å; R96-F115 HydrophobicContact CB-CG 4.39Å; R96-F115 HydrophobicContact CB-CZ 4.28Å; R96-F115 VanDerWaalsContact CD-CE1 3.44Å; R96-F115 HydrophobicContact CG-CD1 3.86Å; R96-F115 HydrophobicContact CG-CD2 4.28Å; R96-F115 HydrophobicContact CG-CE1 3.5Å; R96-F115 HydrophobicContact CG-CE2 3.92Å; R96-F115 HydrophobicContact CG-CG 4.25Å; R96-F115 HydrophobicContact CG-CZ 3.54Å; R96-F115 VanDerWaalsContact NE-CZ 3.31Å; F115-Y122 HydrophobicContact CB-CD1 4.41Å; F115-Y122 WeakPolarHBondContact O-CB 3.35Å; F115-Y122 PolarHBondContact O-N 2.61Å; F115-I123 HydrophobicContact CB-CG2 4.21Å; F115-I123 HydrophobicContact CD2-CG2 4.12Å; F115-I123 HydrophobicContact CG-CG2 4.46Å; F115-I123 PolarHBondContact N-O 2.62Å; F115-I123 PolarHBondContact O-N 2.83Å; F115-W146 AromaticContact CD2-CH2 3.79Å; F115-W146 HydrophobicContact CD2-CH2 3.79Å; F115-W146 HydrophobicContact CD2-CZ3 4.3Å; F115-W146 AromaticContact CE2-CH2 3.41Å; F115-W146 HydrophobicContact CE2-CH2 3.41Å; F115-W146 VanDerWaalsContact CE2-CH2 3.41Å; F115-W146 HydrophobicContact CE2-CZ2 4.42Å; F115-W146 HydrophobicContact CE2-CZ3 4.04Å; F115-W146 AromaticContact CZ-CH2 3.84Å; F115-W146 HydrophobicContact CZ-CH2 3.84Å; F115-W146 HydrophobicContact CZ-CZ2 4.46Å
116A98.9Very high98.1Very high14 Ų1453.7 Ų53.712%0.11628%0.277CS..EExtended strand (participates in β ladder)trans-126.2145.5170.900000110.3Q95 K120Q95-A116 HydrophobicContact CB-CB 4.34Å; Q95-A116 PolarHBondContact N-O 3.39Å; Q95-A116 PolarHBondContact O-N 2.98Å; A116-K120 CarbonylContact C-O 3.51Å; A116-K120 WeakPolarHBondContact CA-O 3.47Å; A116-K120 VanDerWaalsContact CB-O 3.25Å; A116-K120 WeakPolarHBondContact CB-O 3.27Å
117Y98.8Very high98.4Very high11 Ų1159 Ų594%0.04330%0.297CS..EExtended strand (participates in β ladder)trans-123.4126.8175.8-175.4-117.9000109.6L77 L80 Y84 Q86 H92 T93 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.03Å; L80-Y117 HydrophobicContact CB-CD1 4.47Å; L80-Y117 HydrophobicContact CB-CD2 4.11Å; L80-Y117 HydrophobicContact CB-CE1 4.14Å; L80-Y117 HydrophobicContact CB-CE2 3.73Å; L80-Y117 HydrophobicContact CB-CG 4.45Å; L80-Y117 HydrophobicContact CD1-CD2 3.57Å; L80-Y117 HydrophobicContact CD1-CE2 3.89Å; L80-Y117 HydrophobicContact CD1-CG 4.12Å; L80-Y117 HydrophobicContact CD2-CG 4.48Å; L80-Y117 HydrophobicContact CG-CD2 4.32Å; L80-Y117 HydrophobicContact CG-CE2 4.39Å; Y84-Y117 AromaticContact CD2-CD1 3.71Å; Y84-Y117 HydrophobicContact CD2-CD1 3.71Å; Y84-Y117 AromaticContact CD2-CE1 3.5Å; Y84-Y117 HydrophobicContact CD2-CE1 3.5Å; Y84-Y117 AromaticContact CE2-CD1 3.5Å; Y84-Y117 HydrophobicContact CE2-CD1 3.5Å; Y84-Y117 AromaticContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CG 4.45Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Q86-Y117 PolarHBondContact OE1-OH 3.38Å; H92-Y117 HydrophobicContact CB-CE2 3.86Å; H92-Y117 WeakPolarHBondContact CB-OH 3.4Å; H92-Y117 AromaticContact CG-CZ 4Å; H92-Y117 AromaticContact ND1-CZ 3.92Å; H92-Y117 PolarHBondContact ND1-OH 2.82Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.23Å; T93-Y117 VanDerWaalsContact O-CD2 3.29Å; T93-Y117 WeakPolarHBondContact O-CD2 3.33Å; Y117-G119 PolarHBondContact O-N 2.63Å; Y117-K120 PolarHBondContact N-O 3.27Å; Y117-K120 PolarHBondContact O-N 3.43Å; Y117-K120 VanDerWaalsContact O-N 3.07Å
118D98.5Very high98.5Very high63 Ų6354.6 Ų54.634%0.33729%0.286SS..THydrogen-bonded Turntrans49.141-174.6-65.4-23.8000113.2Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 2.84Å; H92-D118 WeakPolarHBondContact CA-OD1 3.49Å; H92-D118 IonicContact CE1-OD2 3.53Å; H92-D118 IonicContact CG-OD1 2.7Å; H92-D118 IonicContact CG-OD2 3.41Å; H92-D118 IonicContact ND1-OD1 3.57Å; H92-D118 IonicContact ND1-OD2 3.45Å; H92-D118 PolarHBondContact ND1-OD2 3.22Å; T93-D118 PolarHBondContact N-OD1 3.07Å; T93-D118 PolarHBondContact O-N 3.2Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 2.85Å
119G97.9Very high98.5Very high60 Ų6052.3 Ų52.362%0.61928%0.275SS*.THydrogen-bonded Turntrans78.65.2177.400000115.5Y117Y117-G119 PolarHBondContact O-N 2.63Å
120K98.6Very high98.5Very high159 Ų15954.3 Ų54.369%0.69127%0.273SS*.EExtended strand (participates in β ladder)trans-112.9144176.9-62.4-178.4-177.8179.40111A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.51Å; A116-K120 WeakPolarHBondContact CA-O 3.47Å; A116-K120 VanDerWaalsContact CB-O 3.25Å; A116-K120 WeakPolarHBondContact CB-O 3.27Å; Y117-K120 PolarHBondContact N-O 3.27Å; Y117-K120 PolarHBondContact O-N 3.43Å; Y117-K120 VanDerWaalsContact O-N 3.07Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 2.85Å; K120-Y122 PolarHBondContact O-N 2.86Å
121D98.8Very high98.5Very high124 Ų12451.7 Ų51.766%0.66327%0.27SS*.EExtended strand (participates in β ladder)trans-52.3135.3173.6-72.4-25.7000110.8A135D121-A135 HydrophobicContact CB-CB 4.47Å; D121-A135 WeakPolarHBondContact O-CB 3.46Å
122Y98.9Very high98.5Very high9 Ų952 Ų524%0.03527%0.27CS..EExtended strand (participates in β ladder)trans-114.4-63.3-179.3179.6-111.5000110.6L80 Y84 F115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.32Å; L80-Y122 HydrophobicContact CD2-CD2 4.07Å; L80-Y122 HydrophobicContact CD2-CE1 3.76Å; L80-Y122 HydrophobicContact CD2-CE2 3.46Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.46Å; L80-Y122 HydrophobicContact CD2-CG 4.47Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.43Å; Y84-Y122 HydrophobicContact CE2-CD2 4.41Å; Y84-Y122 HydrophobicContact CE2-CE2 4.13Å; Y84-Y122 WeakPolarHBondContact OH-CD2 2.8Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.15Å; F115-Y122 HydrophobicContact CB-CD1 4.41Å; F115-Y122 WeakPolarHBondContact O-CB 3.35Å; F115-Y122 PolarHBondContact O-N 2.61Å; K120-Y122 PolarHBondContact O-N 2.86Å; Y122-A135 WeakPolarHBondContact O-CB 3.4Å; Y122-A135 PolarHBondContact O-N 2.76Å; Y122-A138 HydrophobicContact CE2-CB 4.48Å; Y122-A138 PolarHBondContact OH-O 3.38Å; Y122-A139 HydrophobicContact CD2-CB 3.83Å; Y122-A139 VanDerWaalsContact CE2-CA 3.46Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.33Å; Y122-A139 WeakPolarHBondContact O-CB 3.38Å; Y122-T142 HydrophobicContact CE1-CG2 4.22Å; Y122-T142 WeakPolarHBondContact OH-CB 3.3Å; Y122-T142 PolarHBondContact OH-OG1 3.11Å
123I98.8Very high98.5Very high3 Ų354.1 Ų54.12%0.01529%0.287CS..EExtended strand (participates in β ladder)trans-150.8139.7178.8-162.7172.5000110.6Q114 F115 W132 T133 T142 Q143 W146Q114-I123 WeakPolarHBondContact CA-O 3.4Å; F115-I123 HydrophobicContact CB-CG2 4.21Å; F115-I123 HydrophobicContact CD2-CG2 4.12Å; F115-I123 HydrophobicContact CG-CG2 4.46Å; F115-I123 PolarHBondContact N-O 2.62Å; F115-I123 PolarHBondContact O-N 2.83Å; I123-W132 HydrophobicContact CD1-CB 4.19Å; I123-W132 HydrophobicContact CD1-CD2 4.45Å; I123-W132 HydrophobicContact CD1-CE3 4.29Å; I123-W132 HydrophobicContact CD1-CG 4.43Å; I123-W132 HydrophobicContact CG1-CB 4.25Å; I123-W132 HydrophobicContact CG1-CE3 4.11Å; I123-T133 WeakPolarHBondContact CA-O 3.42Å; I123-T133 WeakPolarHBondContact CG1-O 3.48Å; I123-T142 HydrophobicContact CD1-CG2 4.23Å; I123-Q143 HydrophobicContact CD1-CB 3.88Å; I123-W146 HydrophobicContact CD1-CE3 4.1Å; I123-W146 HydrophobicContact CD1-CZ3 4.27Å; I123-W146 HydrophobicContact CG2-CH2 3.95Å; I123-W146 HydrophobicContact CG2-CZ3 3.68Å
124A98.9Very high98.5Very high32 Ų3255.1 Ų55.126%0.26430%0.295SS..EExtended strand (participates in β ladder)trans-132.2138.4179.900000111.7Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.85Å; A124-W132 CarbonylContact O-C 3.6Å; A124-W132 WeakPolarHBondContact O-CA 3.36Å; A124-T133 PolarHBondContact N-O 2.88Å; A124-T133 PolarHBondContact O-N 2.87Å
125L98.9Very high98.5Very high13 Ų1354.7 Ų54.77%0.06830%0.303CS..EExtended strand (participates in β ladder)trans-71.4127.1167.5-175.167.7000108.4N113 L129 W132 A152 R155 L159N113-L125 HydrophobicContact CB-CB 4.1Å; N113-L125 HydrophobicContact CB-CD2 4.23Å; N113-L125 WeakPolarHBondContact O-CB 3.39Å; N113-L125 PolarHBondContact O-N 2.93Å; L125-L129 HydrophobicContact CD2-CB 4.44Å; L125-L129 HydrophobicContact CD2-CD2 3.82Å; L125-L129 HydrophobicContact CG-CD2 4.34Å; L125-W132 HydrophobicContact CB-CE3 3.95Å; L125-W132 HydrophobicContact CB-CH2 4.08Å; L125-W132 HydrophobicContact CB-CZ3 3.62Å; L125-W132 HydrophobicContact CD1-CD2 4.14Å; L125-W132 HydrophobicContact CD1-CE3 4.27Å; L125-W132 HydrophobicContact CD1-CH2 4.04Å; L125-W132 HydrophobicContact CD1-CZ2 3.9Å; L125-W132 HydrophobicContact CD1-CZ3 4.21Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å; L125-A152 HydrophobicContact CD1-CB 3.94Å; L125-R155 HydrophobicContact CD2-CB 3.96Å; L125-L159 HydrophobicContact CD2-CD1 3.96Å
126N98.7Very high98.5Very high42 Ų4256.4 Ų56.423%0.22531%0.313CS..  trans-71163.8-179.9-67-26.4000111.2D128 L129 S131 T133N126-D128 PolarHBondContact O-N 2.85Å; N126-D128 VanDerWaalsContact O-N 3.11Å; N126-L129 WeakPolarHBondContact O-CA 3.22Å; N126-L129 PolarHBondContact O-N 2.93Å; N126-S131 WeakPolarHBondContact CB-O 3.46Å; N126-S131 WeakPolarHBondContact CB-OG 3.47Å; N126-S131 PolarHBondContact N-O 2.94Å; N126-S131 PolarHBondContact ND2-OG 3.22Å; N126-T133 PolarHBondContact ND2-OG1 2.82Å; N126-T133 WeakPolarHBondContact OD1-CB 3.21Å; N126-T133 PolarHBondContact OD1-N 3.15Å; N126-T133 PolarHBondContact OD1-OG1 3.22Å
127E97.9Very high98.5Very high130 Ų13064.1 Ų64.161%0.60734%0.344SS*.THydrogen-bonded Turntrans-59.9-23.2-178.8-66.6-179.6-164.300113.4R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.41Å; R110-E127 IonicContact CZ-OE1 3.36Å; R110-E127 IonicContact NE-OE1 2.72Å; R110-E127 VanDerWaalsContact NH1-CD 3.31Å; R110-E127 IonicContact NH1-OE1 3.9Å; R110-E127 PolarHBondContact NH1-OE1 3.11Å; R110-E127 IonicContact NH1-OE2 3.38Å; R110-E127 VanDerWaalsContact NH2-CG 3.32Å; R110-E127 IonicContact NH2-OE1 3.45Å; R110-E127 PolarHBondContact NH2-OE1 3.25Å; E127-L129 PolarHBondContact O-N 2.88Å
128D97.8Very high98.5Very high80 Ų8064 Ų6443%0.42835%0.345SS..THydrogen-bonded Turntrans-68.8-9.6173.670.52.8000114N126 R130 S131N126-D128 PolarHBondContact O-N 2.85Å; N126-D128 VanDerWaalsContact O-N 3.11Å; D128-R130 WeakPolarHBondContact O-CG 3.47Å; D128-R130 PolarHBondContact O-N 3.47Å; D128-R130 PolarHBondContact OD1-N 2.99Å; D128-S131 VanDerWaalsContact CG-OG 3.24Å; D128-S131 PolarHBondContact OD1-N 3.48Å; D128-S131 PolarHBondContact OD1-OG 3.43Å; D128-S131 WeakPolarHBondContact OD2-CB 3.38Å; D128-S131 PolarHBondContact OD2-OG 2.79Å
129L98.3Very high98.5Very high8 Ų861 Ų614%0.04233%0.329CS..SBendtrans54.126.6-174.8-52.4-177.9000113.8L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.28Å; L125-L129 HydrophobicContact CD2-CB 4.44Å; L125-L129 HydrophobicContact CD2-CD2 3.82Å; L125-L129 HydrophobicContact CG-CD2 4.34Å; N126-L129 WeakPolarHBondContact O-CA 3.22Å; N126-L129 PolarHBondContact O-N 2.93Å; E127-L129 PolarHBondContact O-N 2.88Å; L129-R156 HydrophobicContact CB-CB 4.07Å; L129-R156 HydrophobicContact CB-CG 3.87Å; L129-R156 HydrophobicContact CD1-CG 4.24Å; L129-L159 HydrophobicContact CD1-CB 4.46Å; L129-L159 HydrophobicContact CD2-CD1 3.94Å; L129-E160 HydrophobicContact CD1-CG 4.25Å
130R97.9Very high98.5Very high167 Ų16761.8 Ų61.863%0.6332%0.317SS*.SBendtrans-133.2-31.8-173.9-70.6172.4-173.3-132.38.8112.8D128 A152D128-R130 WeakPolarHBondContact O-CG 3.47Å; D128-R130 PolarHBondContact O-N 3.47Å; D128-R130 PolarHBondContact OD1-N 2.99Å; R130-A152 WeakPolarHBondContact O-CB 3.48Å
131S98.2Very high98.5Very high41 Ų4157.1 Ų57.129%0.28730%0.299SS..  trans-116.5163.8-177.2640000112.1N126 D128N126-S131 WeakPolarHBondContact CB-O 3.46Å; N126-S131 WeakPolarHBondContact CB-OG 3.47Å; N126-S131 PolarHBondContact N-O 2.94Å; N126-S131 PolarHBondContact ND2-OG 3.22Å; D128-S131 VanDerWaalsContact CG-OG 3.24Å; D128-S131 PolarHBondContact OD1-N 3.48Å; D128-S131 PolarHBondContact OD1-OG 3.43Å; D128-S131 WeakPolarHBondContact OD2-CB 3.38Å; D128-S131 PolarHBondContact OD2-OG 2.79Å
132W98.8Very high98.5Very high11 Ų1152 Ų524%0.04227%0.272CS..EExtended strand (participates in β ladder)trans-120.3144.5-178.2-59.291.4000111N113 I123 A124 L125 Q143 W146 E151 A152 R155N113-W132 WeakPolarHBondContact ND2-CH2 3.44Å; I123-W132 HydrophobicContact CD1-CB 4.19Å; I123-W132 HydrophobicContact CD1-CD2 4.45Å; I123-W132 HydrophobicContact CD1-CE3 4.29Å; I123-W132 HydrophobicContact CD1-CG 4.43Å; I123-W132 HydrophobicContact CG1-CB 4.25Å; I123-W132 HydrophobicContact CG1-CE3 4.11Å; A124-W132 CarbonylContact O-C 3.6Å; A124-W132 WeakPolarHBondContact O-CA 3.36Å; L125-W132 HydrophobicContact CB-CE3 3.95Å; L125-W132 HydrophobicContact CB-CH2 4.08Å; L125-W132 HydrophobicContact CB-CZ3 3.62Å; L125-W132 HydrophobicContact CD1-CD2 4.14Å; L125-W132 HydrophobicContact CD1-CE3 4.27Å; L125-W132 HydrophobicContact CD1-CH2 4.04Å; L125-W132 HydrophobicContact CD1-CZ2 3.9Å; L125-W132 HydrophobicContact CD1-CZ3 4.21Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å; W132-Q143 HydrophobicContact CB-CG 4.18Å; W132-Q143 PolarHBondContact O-NE2 2.9Å; W132-W146 AromaticContact CD2-CE3 3.89Å; W132-W146 HydrophobicContact CD2-CE3 3.89Å; W132-W146 HydrophobicContact CD2-CZ3 4.39Å; W132-W146 AromaticContact CE2-CE3 3.73Å; W132-W146 AromaticContact CE3-CE3 3.77Å; W132-W146 HydrophobicContact CE3-CE3 3.77Å; W132-W146 AromaticContact CE3-CZ3 3.8Å; W132-W146 HydrophobicContact CE3-CZ3 3.8Å; W132-W146 HydrophobicContact CH2-CD2 4.49Å; W132-W146 AromaticContact CH2-CE3 3.37Å; W132-W146 HydrophobicContact CH2-CE3 3.37Å; W132-W146 AromaticContact CH2-CZ3 3.39Å; W132-W146 HydrophobicContact CH2-CZ3 3.39Å; W132-W146 HydrophobicContact CZ2-CD2 4.37Å; W132-W146 AromaticContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CZ3 4.03Å; W132-W146 AromaticContact CZ3-CE3 3.53Å; W132-W146 HydrophobicContact CZ3-CE3 3.53Å; W132-W146 HydrophobicContact CZ3-CH2 4.48Å; W132-W146 AromaticContact CZ3-CZ3 3.27Å; W132-W146 HydrophobicContact CZ3-CZ3 3.27Å; W132-E151 HydrophobicContact CZ2-CB 4.21Å; W132-A152 HydrophobicContact CZ2-CB 4.28Å; W132-R155 HydrophobicContact CH2-CG 4.37Å
133T98.8Very high98.5Very high79 Ų7953.5 Ų53.549%0.48528%0.279SS..EExtended strand (participates in β ladder)trans-104.8118.1164.9-65.40000108.8I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.42Å; I123-T133 WeakPolarHBondContact CG1-O 3.48Å; A124-T133 PolarHBondContact N-O 2.88Å; A124-T133 PolarHBondContact O-N 2.87Å; N126-T133 PolarHBondContact ND2-OG1 2.82Å; N126-T133 WeakPolarHBondContact OD1-CB 3.21Å; N126-T133 PolarHBondContact OD1-N 3.15Å; N126-T133 PolarHBondContact OD1-OG1 3.22Å
134A98.8Very high98.5Very high21 Ų2160.9 Ų60.917%0.17431%0.307CS..EExtended strand (participates in β ladder)trans-97.2130.6175.300000110.4A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.7Å; A134-Q140 HydrophobicContact CB-CG 3.95Å; A134-Q143 HydrophobicContact CB-CB 4.39Å
135A98.6Very high98.4Very high61 Ų6164.7 Ų64.750%0.50432%0.318SS..SBendtrans-72.9-30.7-175.400000113.4D121 Y122D121-A135 HydrophobicContact CB-CB 4.47Å; D121-A135 WeakPolarHBondContact O-CB 3.46Å; Y122-A135 WeakPolarHBondContact O-CB 3.4Å; Y122-A135 PolarHBondContact O-N 2.76Å
136D98.4Very high98.4Very high57 Ų5766.6 Ų66.631%0.30532%0.324SS..SBendtrans-152.1-175.5-177.966.928.2000113.1Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.44Å; Y84-D136 VanDerWaalsContact OH-CG 3.28Å; Y84-D136 PolarHBondContact OH-OD1 2.88Å; Y84-D136 PolarHBondContact OH-OD2 2.91Å; D136-A138 VanDerWaalsContact C-N 3.28Å; D136-A138 PolarHBondContact O-N 3.11Å; D136-A138 WeakPolarHBondContact OD1-CA 3.25Å; D136-A138 WeakPolarHBondContact OD1-CB 3.42Å; D136-A138 PolarHBondContact OD1-N 2.95Å; D136-A139 PolarHBondContact O-N 2.93Å; D136-A139 PolarHBondContact OD1-N 3.11Å; D136-Q140 WeakPolarHBondContact O-CG 3.29Å; D136-Q140 PolarHBondContact O-N 3.42Å
137K98.4Very high98.4Very high175 Ų17569.2 Ų69.276%0.76134%0.335SS*.Hα-helixtrans-63.1-30.5179.3-67.1-177.1-179.6177.60113.4
138A98.1Very high98.4Very high8 Ų867.2 Ų67.27%0.06634%0.341CS..Hα-helixtrans-73.5-39.8176.800000110.6Y84 Y122 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.19Å; Y84-A138 HydrophobicContact CD2-CB 4.42Å; Y84-A138 HydrophobicContact CE1-CB 3.65Å; Y84-A138 HydrophobicContact CE2-CB 3.9Å; Y84-A138 VanDerWaalsContact CZ-CB 3.49Å; Y122-A138 HydrophobicContact CE2-CB 4.48Å; Y122-A138 PolarHBondContact OH-O 3.38Å; D136-A138 VanDerWaalsContact C-N 3.28Å; D136-A138 PolarHBondContact O-N 3.11Å; D136-A138 WeakPolarHBondContact OD1-CA 3.25Å; D136-A138 WeakPolarHBondContact OD1-CB 3.42Å; D136-A138 PolarHBondContact OD1-N 2.95Å; A138-Q140 VanDerWaalsContact C-N 3.32Å; A138-Q140 PolarHBondContact O-N 3.35Å; A138-I141 WeakPolarHBondContact O-CB 3.47Å; A138-I141 PolarHBondContact O-N 3.37Å
139A98.6Very high98.5Very high0 Ų066 Ų660%034%0.342CS..Hα-helixtrans-63.5-35172.700000112.9Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.83Å; Y122-A139 VanDerWaalsContact CE2-CA 3.46Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.33Å; Y122-A139 WeakPolarHBondContact O-CB 3.38Å; A134-A139 HydrophobicContact CB-CB 3.7Å; D136-A139 PolarHBondContact O-N 2.93Å; D136-A139 PolarHBondContact OD1-N 3.11Å; A139-I141 PolarHBondContact O-N 2.94Å; A139-T142 WeakPolarHBondContact O-CB 3.23Å; A139-T142 PolarHBondContact O-N 2.95Å; A139-Q143 PolarHBondContact O-N 3.4Å
140Q98.8Very high98.4Very high78 Ų7873.1 Ų73.136%0.36437%0.368SS..Hα-helixtrans-60.2-28.4174.3-73.4173.93.100113.1A134 D136 A138 R144A134-Q140 HydrophobicContact CB-CG 3.95Å; D136-Q140 WeakPolarHBondContact O-CG 3.29Å; D136-Q140 PolarHBondContact O-N 3.42Å; A138-Q140 VanDerWaalsContact C-N 3.32Å; A138-Q140 PolarHBondContact O-N 3.35Å; Q140-R144 WeakPolarHBondContact O-CG 3.32Å; Q140-R144 PolarHBondContact O-N 3.24Å; Q140-R144 VanDerWaalsContact O-N 3.11Å
141I98.6Very high98.4Very high60 Ų6067.1 Ų67.131%0.30835%0.347SS..Hα-helixtrans-65.4-44.6173.9-59170.2000109.9Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.03Å; Y83-I141 HydrophobicContact CE1-CD1 4.34Å; Y83-I141 HydrophobicContact CE1-CG2 3.91Å; Y83-I141 HydrophobicContact CE2-CB 4.35Å; Y83-I141 HydrophobicContact CE2-CG2 4.2Å; Y83-I141 HydrophobicContact CG-CD1 4.19Å; A138-I141 WeakPolarHBondContact O-CB 3.47Å; A138-I141 PolarHBondContact O-N 3.37Å; A139-I141 PolarHBondContact O-N 2.94Å; I141-K145 WeakPolarHBondContact O-CG 3.21Å; I141-K145 PolarHBondContact O-N 3.06Å
142T98.5Very high98.5Very high17 Ų1765.6 Ų65.610%0.10434%0.337CS..Hα-helixtrans-66.8-43176.3-66.10000111.4Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.22Å; Y122-T142 WeakPolarHBondContact OH-CB 3.3Å; Y122-T142 PolarHBondContact OH-OG1 3.11Å; I123-T142 HydrophobicContact CD1-CG2 4.23Å; A139-T142 WeakPolarHBondContact O-CB 3.23Å; A139-T142 PolarHBondContact O-N 2.95Å; T142-R144 PolarHBondContact O-N 3.05Å; T142-K145 WeakPolarHBondContact O-CB 3.37Å; T142-K145 PolarHBondContact O-N 2.77Å; T142-K145 VanDerWaalsContact O-N 3.13Å; T142-W146 HydrophobicContact CG2-CD2 3.81Å; T142-W146 HydrophobicContact CG2-CE3 4.28Å; T142-W146 HydrophobicContact CG2-CG 4.18Å; T142-W146 HydrophobicContact CG2-CH2 4.3Å; T142-W146 HydrophobicContact CG2-CZ2 3.86Å; T142-W146 HydrophobicContact CG2-CZ3 4.5Å; T142-W146 WeakPolarHBondContact O-CB 3.4Å; T142-W146 PolarHBondContact O-N 3.26Å
143Q98.7Very high98.4Very high40 Ų4070.4 Ų70.419%0.18736%0.36CS..Hα-helixtrans-52.1-52.9175.5177.5174.110.900111.7I123 W132 A134 A139 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.88Å; W132-Q143 HydrophobicContact CB-CG 4.18Å; W132-Q143 PolarHBondContact O-NE2 2.9Å; A134-Q143 HydrophobicContact CB-CB 4.39Å; A139-Q143 PolarHBondContact O-N 3.4Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-K145 PolarHBondContact O-N 2.86Å; Q143-W146 PolarHBondContact O-N 3.43Å; Q143-W146 VanDerWaalsContact O-N 3.12Å; Q143-E147 HydrophobicContact CG-CG 4.3Å; Q143-E147 VanDerWaalsContact CG-OE1 3.23Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.46Å; Q143-E147 PolarHBondContact NE2-OE1 2.88Å; Q143-E147 WeakPolarHBondContact O-CB 3.33Å; Q143-E147 WeakPolarHBondContact O-CG 3.37Å; Q143-E147 PolarHBondContact O-N 3.45Å
144R98.7Very high98.4Very high159 Ų15972.3 Ų72.360%0.636%0.363SS*.Hα-helixtrans-59.1-39.4179.4-69171.8-166.3152.37.2112.6Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.32Å; Q140-R144 PolarHBondContact O-N 3.24Å; Q140-R144 VanDerWaalsContact O-N 3.11Å; T142-R144 PolarHBondContact O-N 3.05Å; R144-A148 WeakPolarHBondContact O-CB 3.06Å; R144-A148 PolarHBondContact O-N 3.14Å
145K98.3Very high98.3Very high112 Ų11274.6 Ų74.649%0.48737%0.367SS..Hα-helixtrans-64.8-44.1176.5-72177.7176.2-175.70111.3Y83 I141 T142 Q143 A148 A149Y83-K145 PolarHBondContact OH-NZ 2.9Å; I141-K145 WeakPolarHBondContact O-CG 3.21Å; I141-K145 PolarHBondContact O-N 3.06Å; T142-K145 WeakPolarHBondContact O-CB 3.37Å; T142-K145 PolarHBondContact O-N 2.77Å; T142-K145 VanDerWaalsContact O-N 3.13Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-K145 PolarHBondContact O-N 2.86Å; K145-A148 PolarHBondContact O-N 3.46Å; K145-A149 WeakPolarHBondContact O-CB 3.21Å; K145-A149 PolarHBondContact O-N 2.86Å
146W98.4Very high98.3Very high53 Ų5375.2 Ų75.220%0.20136%0.357CS..Hα-helixtrans-71.5-35.3-178.9-75.87.5000113F115 I123 W132 T142 Q143 A149 R150 E151F115-W146 AromaticContact CD2-CH2 3.79Å; F115-W146 HydrophobicContact CD2-CH2 3.79Å; F115-W146 HydrophobicContact CD2-CZ3 4.3Å; F115-W146 AromaticContact CE2-CH2 3.41Å; F115-W146 HydrophobicContact CE2-CH2 3.41Å; F115-W146 VanDerWaalsContact CE2-CH2 3.41Å; F115-W146 HydrophobicContact CE2-CZ2 4.42Å; F115-W146 HydrophobicContact CE2-CZ3 4.04Å; F115-W146 AromaticContact CZ-CH2 3.84Å; F115-W146 HydrophobicContact CZ-CH2 3.84Å; F115-W146 HydrophobicContact CZ-CZ2 4.46Å; I123-W146 HydrophobicContact CD1-CE3 4.1Å; I123-W146 HydrophobicContact CD1-CZ3 4.27Å; I123-W146 HydrophobicContact CG2-CH2 3.95Å; I123-W146 HydrophobicContact CG2-CZ3 3.68Å; W132-W146 AromaticContact CD2-CE3 3.89Å; W132-W146 HydrophobicContact CD2-CE3 3.89Å; W132-W146 HydrophobicContact CD2-CZ3 4.39Å; W132-W146 AromaticContact CE2-CE3 3.73Å; W132-W146 AromaticContact CE3-CE3 3.77Å; W132-W146 HydrophobicContact CE3-CE3 3.77Å; W132-W146 AromaticContact CE3-CZ3 3.8Å; W132-W146 HydrophobicContact CE3-CZ3 3.8Å; W132-W146 HydrophobicContact CH2-CD2 4.49Å; W132-W146 AromaticContact CH2-CE3 3.37Å; W132-W146 HydrophobicContact CH2-CE3 3.37Å; W132-W146 AromaticContact CH2-CZ3 3.39Å; W132-W146 HydrophobicContact CH2-CZ3 3.39Å; W132-W146 HydrophobicContact CZ2-CD2 4.37Å; W132-W146 AromaticContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CZ3 4.03Å; W132-W146 AromaticContact CZ3-CE3 3.53Å; W132-W146 HydrophobicContact CZ3-CE3 3.53Å; W132-W146 HydrophobicContact CZ3-CH2 4.48Å; W132-W146 AromaticContact CZ3-CZ3 3.27Å; W132-W146 HydrophobicContact CZ3-CZ3 3.27Å; T142-W146 HydrophobicContact CG2-CD2 3.81Å; T142-W146 HydrophobicContact CG2-CE3 4.28Å; T142-W146 HydrophobicContact CG2-CG 4.18Å; T142-W146 HydrophobicContact CG2-CH2 4.3Å; T142-W146 HydrophobicContact CG2-CZ2 3.86Å; T142-W146 HydrophobicContact CG2-CZ3 4.5Å; T142-W146 WeakPolarHBondContact O-CB 3.4Å; T142-W146 PolarHBondContact O-N 3.26Å; Q143-W146 PolarHBondContact O-N 3.43Å; Q143-W146 VanDerWaalsContact O-N 3.12Å; W146-A149 CarbonylContact O-C 3.53Å; W146-A149 PolarHBondContact O-N 3.29Å; W146-R150 PolarHBondContact O-N 3.05Å; W146-E151 HydrophobicContact CB-CB 3.91Å; W146-E151 HydrophobicContact CB-CG 3.95Å; W146-E151 HydrophobicContact CD2-CB 4.48Å; W146-E151 HydrophobicContact CD2-CG 4.45Å; W146-E151 HydrophobicContact CG-CB 4.07Å; W146-E151 HydrophobicContact CG-CG 3.82Å; W146-E151 PolarHBondContact O-N 2.8Å
147E98.5Very high98.3Very high96 Ų9675.6 Ų75.645%0.44937%0.368SS..Hα-helixtrans-64.6-47.2171.6-73.4169.3174.100111Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.3Å; Q143-E147 VanDerWaalsContact CG-OE1 3.23Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.46Å; Q143-E147 PolarHBondContact NE2-OE1 2.88Å; Q143-E147 WeakPolarHBondContact O-CB 3.33Å; Q143-E147 WeakPolarHBondContact O-CG 3.37Å; Q143-E147 PolarHBondContact O-N 3.45Å; E147-A149 VanDerWaalsContact C-N 3.26Å; E147-A149 PolarHBondContact O-N 3.47Å; E147-R150 PolarHBondContact O-N 3.19Å; E147-R150 VanDerWaalsContact O-N 3.08Å
148A98.4Very high98.3Very high89 Ų8969.6 Ų69.674%0.73634%0.34SS*.Hα-helixtrans-61.1-35.4176.400000112.7R144 K145R144-A148 WeakPolarHBondContact O-CB 3.06Å; R144-A148 PolarHBondContact O-N 3.14Å; K145-A148 PolarHBondContact O-N 3.46Å
149A98.1Very high98.4Very high54 Ų5469.3 Ų69.345%0.44634%0.338SS..THydrogen-bonded Turntrans-87.1-1177.200000114.2K145 W146 E147 E151K145-A149 WeakPolarHBondContact O-CB 3.21Å; K145-A149 PolarHBondContact O-N 2.86Å; W146-A149 CarbonylContact O-C 3.53Å; W146-A149 PolarHBondContact O-N 3.29Å; E147-A149 VanDerWaalsContact C-N 3.26Å; E147-A149 PolarHBondContact O-N 3.47Å; A149-E151 HydrophobicContact CB-CG 4.12Å; A149-E151 PolarHBondContact O-N 3.45Å
150R97.9Very high98.4Very high158 Ų15873.6 Ų73.660%0.59636%0.358SS*.THydrogen-bonded Turntrans52.538.2-176.5-58.2179.3173.5-148.66.1113.8W146 E147 A152 E153W146-R150 PolarHBondContact O-N 3.05Å; E147-R150 PolarHBondContact O-N 3.19Å; E147-R150 VanDerWaalsContact O-N 3.08Å; R150-A152 PolarHBondContact O-N 3.48Å; R150-E153 HydrophobicContact CB-CG 4.26Å; R150-E153 WeakPolarHBondContact CD-OE1 3.32Å; R150-E153 IonicContact CZ-OE1 4Å; R150-E153 IonicContact NH1-OE1 3.32Å; R150-E153 PolarHBondContact NH1-OE1 2.88Å; R150-E153 IonicContact NH1-OE2 3.91Å; R150-E153 WeakPolarHBondContact O-CB 3.42Å; R150-E153 PolarHBondContact O-N 3.45Å; R150-E153 VanDerWaalsContact O-N 3.08Å
151E97.9Very high98.3Very high41 Ų4170.9 Ų70.919%0.19235%0.351CS..Hα-helixtrans-58.3-32.7-178.1-75.4-74.7162.700112.7W132 W146 A149 E153 Q154 R155W132-E151 HydrophobicContact CZ2-CB 4.21Å; W146-E151 HydrophobicContact CB-CB 3.91Å; W146-E151 HydrophobicContact CB-CG 3.95Å; W146-E151 HydrophobicContact CD2-CB 4.48Å; W146-E151 HydrophobicContact CD2-CG 4.45Å; W146-E151 HydrophobicContact CG-CB 4.07Å; W146-E151 HydrophobicContact CG-CG 3.82Å; W146-E151 PolarHBondContact O-N 2.8Å; A149-E151 HydrophobicContact CB-CG 4.12Å; A149-E151 PolarHBondContact O-N 3.45Å; E151-E153 VanDerWaalsContact C-N 3.28Å; E151-E153 PolarHBondContact O-N 3.31Å; E151-Q154 PolarHBondContact O-N 3.2Å; E151-R155 WeakPolarHBondContact O-CG 3.46Å; E151-R155 PolarHBondContact O-N 2.97Å; E151-R155 IonicContact OE2-NH2 3.78Å
152A98.4Very high98.3Very high9 Ų970.4 Ų70.47%0.07435%0.351CS..Hα-helixtrans-59.7-37.8177.700000112.3L125 R130 W132 R150 Q154 R155 R156L125-A152 HydrophobicContact CD1-CB 3.94Å; R130-A152 WeakPolarHBondContact O-CB 3.48Å; W132-A152 HydrophobicContact CZ2-CB 4.28Å; R150-A152 PolarHBondContact O-N 3.48Å; A152-Q154 VanDerWaalsContact C-N 3.35Å; A152-Q154 PolarHBondContact O-N 2.78Å; A152-R155 PolarHBondContact O-N 3.17Å; A152-R156 VanDerWaalsContact O-CB 3.24Å; A152-R156 WeakPolarHBondContact O-CB 3.28Å; A152-R156 PolarHBondContact O-N 3.39Å
153E98.2Very high98.3Very high112 Ų11269.6 Ų69.652%0.52335%0.346SS..Hα-helixtrans-63-41.9178.6-63.3177.8-172.200111.2R150 E151 R156 A157R150-E153 HydrophobicContact CB-CG 4.26Å; R150-E153 WeakPolarHBondContact CD-OE1 3.32Å; R150-E153 IonicContact CZ-OE1 4Å; R150-E153 IonicContact NH1-OE1 3.32Å; R150-E153 PolarHBondContact NH1-OE1 2.88Å; R150-E153 IonicContact NH1-OE2 3.91Å; R150-E153 WeakPolarHBondContact O-CB 3.42Å; R150-E153 PolarHBondContact O-N 3.45Å; R150-E153 VanDerWaalsContact O-N 3.08Å; E151-E153 VanDerWaalsContact C-N 3.28Å; E151-E153 PolarHBondContact O-N 3.31Å; E153-R156 PolarHBondContact O-N 2.91Å; E153-A157 WeakPolarHBondContact O-CB 3.18Å; E153-A157 PolarHBondContact O-N 3.3Å
154Q97.4Very high98.3Very high119 Ų11968 Ų6856%0.55634%0.339SS*.Hα-helixtrans-67.2-41.9177.1-60.5-177.933.400111.9E151 A152 A157 Y158E151-Q154 PolarHBondContact O-N 3.2Å; A152-Q154 VanDerWaalsContact C-N 3.35Å; A152-Q154 PolarHBondContact O-N 2.78Å; Q154-A157 PolarHBondContact O-N 3.07Å; Q154-Y158 PolarHBondContact O-N 3.26Å; Q154-Y158 VanDerWaalsContact O-N 3.13Å
155R98.2Very high98.3Very high68 Ų6866.3 Ų66.326%0.25734%0.338SS..Hα-helixtrans-65.2-42.9177.1-62.9-61.3165.4-155.2-6.5111.2R96 L125 W132 E151 A152 Y158 L159R96-R155 VanDerWaalsContact NH2-CZ 3.31Å; L125-R155 HydrophobicContact CD2-CB 3.96Å; W132-R155 HydrophobicContact CH2-CG 4.37Å; E151-R155 WeakPolarHBondContact O-CG 3.46Å; E151-R155 PolarHBondContact O-N 2.97Å; E151-R155 IonicContact OE2-NH2 3.78Å; A152-R155 PolarHBondContact O-N 3.17Å; R155-Y158 PolarHBondContact O-N 3.3Å; R155-L159 WeakPolarHBondContact O-CB 3.37Å; R155-L159 WeakPolarHBondContact O-CG 3.4Å; R155-L159 PolarHBondContact O-N 3.07Å
156R98.5Very high98.3Very high75 Ų7563.1 Ų63.128%0.28332%0.323SS..Hα-helixtrans-59.2-48175.2-175.4173.4179.4-139.5-13.8111.9L129 A152 E153 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.07Å; L129-R156 HydrophobicContact CB-CG 3.87Å; L129-R156 HydrophobicContact CD1-CG 4.24Å; A152-R156 VanDerWaalsContact O-CB 3.24Å; A152-R156 WeakPolarHBondContact O-CB 3.28Å; A152-R156 PolarHBondContact O-N 3.39Å; E153-R156 PolarHBondContact O-N 2.91Å; R156-Y158 VanDerWaalsContact C-N 3.3Å; R156-Y158 PolarHBondContact O-N 3.16Å; R156-L159 PolarHBondContact O-N 3.2Å; R156-L159 VanDerWaalsContact O-N 3.13Å; R156-E160 HydrophobicContact CG-CG 4.12Å; R156-E160 IonicContact CZ-OE1 3.31Å; R156-E160 VanDerWaalsContact CZ-OE1 3.31Å; R156-E160 IonicContact CZ-OE2 3.63Å; R156-E160 VanDerWaalsContact NE-CD 3.32Å; R156-E160 IonicContact NE-OE1 2.78Å; R156-E160 PolarHBondContact NE-OE1 3.23Å; R156-E160 IonicContact NE-OE2 3.3Å; R156-E160 PolarHBondContact NE-OE2 2.98Å; R156-E160 IonicContact NH2-OE1 2.94Å; R156-E160 PolarHBondContact NH2-OE1 3.07Å; R156-E160 IonicContact NH2-OE2 3.41Å; R156-E160 PolarHBondContact NH2-OE2 3.05Å; R156-E160 WeakPolarHBondContact O-CB 3.3Å; R156-E160 PolarHBondContact O-N 3.11Å
157A98.6Very high98.3Very high64 Ų6460.6 Ų60.653%0.52931%0.313SS..Hα-helixtrans-58.2-41.1177.600000112.6E153 Q154 G161E153-A157 WeakPolarHBondContact O-CB 3.18Å; E153-A157 PolarHBondContact O-N 3.3Å; Q154-A157 PolarHBondContact O-N 3.07Å; A157-G161 PolarHBondContact O-N 2.93Å; A157-G161 VanDerWaalsContact O-N 3.08Å
158Y98.4Very high98.3Very high49 Ų4962 Ų6219%0.19231%0.314CS..Iπ-helixtrans-65.3-46.3173.6171.8-93.1000112.4Y98 Q154 R155 R156 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.78Å; Y98-Y158 HydrophobicContact CD2-CE1 3.78Å; Y98-Y158 AromaticContact CE2-CE1 3.63Å; Y98-Y158 HydrophobicContact CE2-CE1 3.63Å; Y98-Y158 AromaticContact CE2-CZ 3.82Å; Q154-Y158 PolarHBondContact O-N 3.26Å; Q154-Y158 VanDerWaalsContact O-N 3.13Å; R155-Y158 PolarHBondContact O-N 3.3Å; R156-Y158 VanDerWaalsContact C-N 3.3Å; R156-Y158 PolarHBondContact O-N 3.16Å; Y158-T162 HydrophobicContact CD2-CG2 3.95Å; Y158-T162 HydrophobicContact CE2-CG2 3.73Å; Y158-T162 PolarHBondContact O-N 3.13Å; Y158-T162 VanDerWaalsContact O-N 3.15Å; Y158-C163 HydrophobicContact CD1-CB 4.26Å; Y158-C163 HydrophobicContact CE1-CB 3.79Å; Y158-C163 WeakPolarHBondContact O-CB 3.48Å; Y158-C163 PolarHBondContact O-N 2.69Å
159L98.7Very high98.2Very high2 Ų263.2 Ų63.21%0.0130%0.3CS..Iπ-helixtrans-70.6-37.5-174.3-70.7170.5000112.7G99 L125 L129 R155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.44Å; L125-L159 HydrophobicContact CD2-CD1 3.96Å; L129-L159 HydrophobicContact CD1-CB 4.46Å; L129-L159 HydrophobicContact CD2-CD1 3.94Å; R155-L159 WeakPolarHBondContact O-CB 3.37Å; R155-L159 WeakPolarHBondContact O-CG 3.4Å; R155-L159 PolarHBondContact O-N 3.07Å; R156-L159 PolarHBondContact O-N 3.2Å; R156-L159 VanDerWaalsContact O-N 3.13Å; L159-V164 WeakPolarHBondContact O-CG2 3.28Å
160E98.3Very high98.3Very high90 Ų9060.7 Ų60.742%0.42128%0.279SS..Iπ-helixtrans-81-26.5177.3-68.6179.5165.400113.1L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.41Å; L108-E160 HydrophobicContact CD2-CG 3.7Å; L129-E160 HydrophobicContact CD1-CG 4.25Å; R156-E160 HydrophobicContact CG-CG 4.12Å; R156-E160 IonicContact CZ-OE1 3.31Å; R156-E160 VanDerWaalsContact CZ-OE1 3.31Å; R156-E160 IonicContact CZ-OE2 3.63Å; R156-E160 VanDerWaalsContact NE-CD 3.32Å; R156-E160 IonicContact NE-OE1 2.78Å; R156-E160 PolarHBondContact NE-OE1 3.23Å; R156-E160 IonicContact NE-OE2 3.3Å; R156-E160 PolarHBondContact NE-OE2 2.98Å; R156-E160 IonicContact NH2-OE1 2.94Å; R156-E160 PolarHBondContact NH2-OE1 3.07Å; R156-E160 IonicContact NH2-OE2 3.41Å; R156-E160 PolarHBondContact NH2-OE2 3.05Å; R156-E160 WeakPolarHBondContact O-CB 3.3Å; R156-E160 PolarHBondContact O-N 3.11Å
161G98.3Very high98.2Very high21 Ų2153.9 Ų53.922%0.21625%0.254CS..Iπ-helixtrans-106.2-91.9-179.300000112.6A157 C163 V164 E165A157-G161 PolarHBondContact O-N 2.93Å; A157-G161 VanDerWaalsContact O-N 3.08Å; G161-C163 VanDerWaalsContact C-N 3.3Å; G161-C163 PolarHBondContact O-N 3.03Å; G161-C163 VanDerWaalsContact O-N 3.16Å; G161-V164 PolarHBondContact O-N 3.42Å; G161-E165 WeakPolarHBondContact O-CG 3.28Å; G161-E165 PolarHBondContact O-N 2.84Å
162T98.2Very high98.2Very high50 Ų5057.8 Ų57.831%0.30727%0.272SS..Iπ-helixtrans-51.5-44-170.8-55.10000113.3Y158 V164 E165 W166Y158-T162 HydrophobicContact CD2-CG2 3.95Å; Y158-T162 HydrophobicContact CE2-CG2 3.73Å; Y158-T162 PolarHBondContact O-N 3.13Å; Y158-T162 VanDerWaalsContact O-N 3.15Å; T162-V164 PolarHBondContact O-N 3.23Å; T162-E165 PolarHBondContact O-N 2.61Å; T162-W166 VanDerWaalsContact CG2-CD1 3.47Å; T162-W166 WeakPolarHBondContact O-CB 3.47Å; T162-W166 PolarHBondContact O-N 3.38Å
163C98.6Very high98.2Very high0 Ų059.7 Ų59.70%028%0.282CS..Hα-helixtrans-61-48.1-179.6-169.10000111.7M4 C100 Y158 G161 L167M4-C163 HydrophobicContact CE-CB 4.19Å; M4-C163 WeakPolarHBondContact CE-O 3.46Å; M4-C163 VanDerWaalsContact CE-SG 3.5Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.26Å; C100-C163 PolarHBondContact N-SG 3.14Å; C100-C163 WeakPolarHBondContact SG-CB 3.31Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.19Å; Y158-C163 HydrophobicContact CD1-CB 4.26Å; Y158-C163 HydrophobicContact CE1-CB 3.79Å; Y158-C163 WeakPolarHBondContact O-CB 3.48Å; Y158-C163 PolarHBondContact O-N 2.69Å; G161-C163 VanDerWaalsContact C-N 3.3Å; G161-C163 PolarHBondContact O-N 3.03Å; G161-C163 VanDerWaalsContact O-N 3.16Å; C163-L167 VanDerWaalsContact O-CB 3.32Å; C163-L167 WeakPolarHBondContact O-CB 3.38Å; C163-L167 PolarHBondContact O-N 3.46Å
164V98.5Very high98.1Very high7 Ų754.5 Ų54.54%0.04226%0.258CS..Hα-helixtrans-63.8-45.4179.5175.30000110.9L102 L108 L159 G161 T162 L167 R168L102-V164 HydrophobicContact CD2-CB 4.24Å; L102-V164 HydrophobicContact CD2-CG1 3.84Å; L102-V164 HydrophobicContact CD2-CG2 3.88Å; L108-V164 HydrophobicContact CB-CG2 4.01Å; L108-V164 HydrophobicContact CD1-CG2 4.01Å; L159-V164 WeakPolarHBondContact O-CG2 3.28Å; G161-V164 PolarHBondContact O-N 3.42Å; T162-V164 PolarHBondContact O-N 3.23Å; V164-L167 PolarHBondContact O-N 3.45Å; V164-R168 WeakPolarHBondContact O-CG 3.32Å; V164-R168 PolarHBondContact O-N 3.34Å
165E98.3Very high98Very high124 Ų12454 Ų5458%0.57925%0.254SS*.Hα-helixtrans-60.8-47.8179.7-71173.2174.400112G161 T162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.28Å; G161-E165 PolarHBondContact O-N 2.84Å; T162-E165 PolarHBondContact O-N 2.61Å; E165-R168 PolarHBondContact O-N 3.43Å; E165-R169 PolarHBondContact O-N 3.04Å; E165-R169 VanDerWaalsContact O-N 3.07Å
166W98.3Very high97.7Very high45 Ų4560 Ų6017%0.1728%0.282CS..Hα-helixtrans-69.5-40.2179.9-81.696.2000112.4M4 Y58 T162 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.12Å; Y58-W166 AromaticContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CZ2 4.2Å; Y58-W166 AromaticContact CD2-CZ3 3.8Å; Y58-W166 HydrophobicContact CD2-CZ3 3.8Å; Y58-W166 HydrophobicContact CE2-CE3 4.24Å; Y58-W166 AromaticContact CE2-CH2 3.88Å; Y58-W166 HydrophobicContact CE2-CH2 3.88Å; Y58-W166 HydrophobicContact CE2-CZ2 4.47Å; Y58-W166 AromaticContact CE2-CZ3 3.74Å; Y58-W166 HydrophobicContact CE2-CZ3 3.74Å; T162-W166 VanDerWaalsContact CG2-CD1 3.47Å; T162-W166 WeakPolarHBondContact O-CB 3.47Å; T162-W166 PolarHBondContact O-N 3.38Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 2.88Å; W166-R169 WeakPolarHBondContact O-CB 3.37Å; W166-R169 PolarHBondContact O-N 3.27Å; W166-Y170 HydrophobicContact CB-CE2 4.15Å; W166-Y170 HydrophobicContact CE3-CD1 4.4Å; W166-Y170 AromaticContact CE3-CE1 3.48Å; W166-Y170 HydrophobicContact CE3-CE1 3.48Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.48Å; W166-Y170 HydrophobicContact CE3-CE2 4.31Å; W166-Y170 AromaticContact CE3-CZ 3.42Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.42Å; W166-Y170 AromaticContact CZ3-CE1 3.87Å; W166-Y170 HydrophobicContact CZ3-CE1 3.87Å; W166-Y170 VanDerWaalsContact O-CD2 3.31Å; W166-Y170 WeakPolarHBondContact O-CD2 3.24Å; W166-Y170 VanDerWaalsContact O-CG 3.23Å; W166-Y170 PolarHBondContact O-N 2.85Å
167L98.6Very high97.4Very high0 Ų058.8 Ų58.80%028%0.283CS..Hα-helixtrans-60.7-43.9175.5174.651.4000111.2H2 M4 V27 L102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.43Å; M4-L167 HydrophobicContact CB-CB 4.05Å; M4-L167 HydrophobicContact CB-CD1 4.04Å; M4-L167 HydrophobicContact CB-CD2 3.97Å; M4-L167 HydrophobicContact CB-CG 4.23Å; M4-L167 HydrophobicContact CE-CB 4.29Å; M4-L167 HydrophobicContact SD-CB 4.5Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.22Å; L102-L167 HydrophobicContact CD1-CB 4.27Å; L102-L167 HydrophobicContact CD1-CD2 3.65Å; L102-L167 HydrophobicContact CD1-CG 3.74Å; L102-L167 HydrophobicContact CG-CD2 3.58Å; L102-L167 HydrophobicContact CG-CG 4.26Å; C163-L167 VanDerWaalsContact O-CB 3.32Å; C163-L167 WeakPolarHBondContact O-CB 3.38Å; C163-L167 PolarHBondContact O-N 3.46Å; V164-L167 PolarHBondContact O-N 3.45Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 3.13Å; L167-Y170 PolarHBondContact O-N 3.17Å; L167-L171 HydrophobicContact CD1-CD1 3.87Å; L167-L171 HydrophobicContact CD1-CD2 4.38Å; L167-L171 HydrophobicContact CD1-CG 3.85Å; L167-L171 HydrophobicContact CG-CD1 4.04Å; L167-L171 HydrophobicContact CG-CG 4.47Å; L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.38Å; L167-L171 PolarHBondContact O-N 3.45Å
168R97.9Very high97.1Very high125 Ų12555.9 Ų55.947%0.47226%0.258SS..Hα-helixtrans-59.9-43.6174.3-72.5174.7-177.9169-0.1112.3L102 G106 V164 E165 W166 L171 E172L102-R168 HydrophobicContact CD1-CG 3.99Å; G106-R168 VanDerWaalsContact O-CZ 3.3Å; G106-R168 PolarHBondContact O-NE 3.31Å; G106-R168 PolarHBondContact O-NH2 3.12Å; V164-R168 WeakPolarHBondContact O-CG 3.32Å; V164-R168 PolarHBondContact O-N 3.34Å; E165-R168 PolarHBondContact O-N 3.43Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 2.88Å; R168-L171 PolarHBondContact O-N 3.23Å; R168-E172 PolarHBondContact O-N 3.01Å
169R97.8Very high96.8Very high115 Ų11557.8 Ų57.843%0.43427%0.269SS..Hα-helixtrans-60.1-45.8176.1178.2178.7173.899.5-6.5111.4E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 2.77Å; E54-R169 IonicContact OE1-NE 2.68Å; E54-R169 PolarHBondContact OE1-NE 2.89Å; E54-R169 IonicContact OE1-NH2 3.96Å; E54-R169 PolarHBondContact OE1-NH2 3.04Å; E54-R169 IonicContact OE2-CZ 2.69Å; E54-R169 IonicContact OE2-NE 2.94Å; E54-R169 PolarHBondContact OE2-NE 3.38Å; E54-R169 IonicContact OE2-NH2 3.3Å; E54-R169 PolarHBondContact OE2-NH2 2.74Å; E165-R169 PolarHBondContact O-N 3.04Å; E165-R169 VanDerWaalsContact O-N 3.07Å; W166-R169 WeakPolarHBondContact O-CB 3.37Å; W166-R169 PolarHBondContact O-N 3.27Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 3.13Å; R169-E172 PolarHBondContact O-N 3.09Å; R169-N173 WeakPolarHBondContact O-CB 3.22Å; R169-N173 PolarHBondContact O-N 2.83Å; R169-N173 PolarHBondContact O-ND2 3.31Å; R169-N173 PolarHBondContact O-OD1 3.07Å
170Y98.3Very high96.5Very high1 Ų162.3 Ų62.30%0.00429%0.286CS..Hα-helixtrans-66-39.3178.8-62.1-28.8000112.6M4 V27 F32 W50 V51 Y58 W166 L167 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.78Å; M4-Y170 HydrophobicContact SD-CE2 3.61Å; V27-Y170 HydrophobicContact CG2-CD2 3.94Å; V27-Y170 HydrophobicContact CG2-CG 4.47Å; F32-Y170 AromaticContact CE2-CE2 3.83Å; F32-Y170 HydrophobicContact CE2-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CD2 4.46Å; F32-Y170 AromaticContact CZ-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CE2 3.83Å; W50-Y170 HydrophobicContact CE3-CD1 4.17Å; W50-Y170 HydrophobicContact CE3-CG 4.37Å; W50-Y170 HydrophobicContact CH2-CD1 4.48Å; W50-Y170 HydrophobicContact CH2-CD2 4.35Å; W50-Y170 HydrophobicContact CH2-CG 4.04Å; W50-Y170 AromaticContact CZ3-CD1 3.53Å; W50-Y170 HydrophobicContact CZ3-CD1 3.53Å; W50-Y170 HydrophobicContact CZ3-CD2 4.14Å; W50-Y170 HydrophobicContact CZ3-CE1 4.21Å; W50-Y170 AromaticContact CZ3-CG 3.5Å; W50-Y170 HydrophobicContact CZ3-CG 3.5Å; W50-Y170 VanDerWaalsContact CZ3-CG 3.5Å; V51-Y170 HydrophobicContact CG2-CE1 4.39Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.28Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.39Å; Y58-Y170 PolarHBondContact OH-OH 3.03Å; W166-Y170 HydrophobicContact CB-CE2 4.15Å; W166-Y170 HydrophobicContact CE3-CD1 4.4Å; W166-Y170 AromaticContact CE3-CE1 3.48Å; W166-Y170 HydrophobicContact CE3-CE1 3.48Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.48Å; W166-Y170 HydrophobicContact CE3-CE2 4.31Å; W166-Y170 AromaticContact CE3-CZ 3.42Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.42Å; W166-Y170 AromaticContact CZ3-CE1 3.87Å; W166-Y170 HydrophobicContact CZ3-CE1 3.87Å; W166-Y170 VanDerWaalsContact O-CD2 3.31Å; W166-Y170 WeakPolarHBondContact O-CD2 3.24Å; W166-Y170 VanDerWaalsContact O-CG 3.23Å; W166-Y170 PolarHBondContact O-N 2.85Å; L167-Y170 PolarHBondContact O-N 3.17Å; Y170-E172 VanDerWaalsContact C-N 3.29Å; Y170-E172 PolarHBondContact O-N 2.87Å; Y170-N173 PolarHBondContact O-N 2.81Å; Y170-G174 WeakPolarHBondContact O-CA 3.5Å; Y170-G174 PolarHBondContact O-N 2.74Å; Y170-L178 WeakPolarHBondContact O-CD1 3.05Å
171L97.6Very high96.3Very high15 Ų1560.1 Ų60.18%0.07928%0.283CS..Hα-helixtrans-62.8-35.3175.1-71.4169.8000112.5H2 V27 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.74Å; H2-L171 HydrophobicContact CB-CD2 3.96Å; H2-L171 HydrophobicContact CB-CG 4.42Å; H2-L171 VanDerWaalsContact CG-CD2 3.46Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.36Å; V27-L171 HydrophobicContact CG1-CD2 4.11Å; L167-L171 HydrophobicContact CD1-CD1 3.87Å; L167-L171 HydrophobicContact CD1-CD2 4.38Å; L167-L171 HydrophobicContact CD1-CG 3.85Å; L167-L171 HydrophobicContact CG-CD1 4.04Å; L167-L171 HydrophobicContact CG-CG 4.47Å; L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.38Å; L167-L171 PolarHBondContact O-N 3.45Å; R168-L171 PolarHBondContact O-N 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CB 3.48Å; L171-K175 PolarHBondContact O-N 2.87Å; L171-K175 VanDerWaalsContact O-N 3.12Å; L171-L178 HydrophobicContact CD2-CB 4.13Å; L171-L178 HydrophobicContact CD2-CD1 4.41Å; L171-Q179 PolarHBondContact O-NE2 2.83Å
172E97.2Very high96.2Very high122 Ų12261.9 Ų61.957%0.5729%0.286SS*.Hα-helixtrans-73-48.9174.6-172.657.6-151.600111.3R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.01Å; R169-E172 PolarHBondContact O-N 3.09Å; Y170-E172 VanDerWaalsContact C-N 3.29Å; Y170-E172 PolarHBondContact O-N 2.87Å; E172-G174 VanDerWaalsContact C-N 3.32Å; E172-G174 PolarHBondContact O-N 2.95Å; E172-K175 WeakPolarHBondContact O-CB 3.36Å; E172-K175 PolarHBondContact O-N 2.86Å
173N97.4Very high96.1Very high50 Ų5064.7 Ų64.727%0.26730%0.295SS..Hα-helixtrans-59-42.6178.8-67.9-8.6000112.3W50 Q53 E54 R169 Y170W50-N173 HydrophobicContact CB-CB 4.4Å; Q53-N173 VanDerWaalsContact NE2-CB 3.28Å; Q53-N173 PolarHBondContact NE2-ND2 3.23Å; Q53-N173 PolarHBondContact NE2-OD1 2.95Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.11Å; E54-N173 PolarHBondContact OE1-ND2 3.32Å; R169-N173 WeakPolarHBondContact O-CB 3.22Å; R169-N173 PolarHBondContact O-N 2.83Å; R169-N173 PolarHBondContact O-ND2 3.31Å; R169-N173 PolarHBondContact O-OD1 3.07Å; Y170-N173 PolarHBondContact O-N 2.81Å
174G96.8Very high96.1Very high3 Ų364.9 Ų64.93%0.03130%0.297CS..THydrogen-bonded Turntrans-99.117.5-17700000113.8Y170 E172 K176 T177 L178Y170-G174 WeakPolarHBondContact O-CA 3.5Å; Y170-G174 PolarHBondContact O-N 2.74Å; E172-G174 VanDerWaalsContact C-N 3.32Å; E172-G174 PolarHBondContact O-N 2.95Å; G174-K176 PolarHBondContact O-N 2.68Å; G174-T177 PolarHBondContact O-N 3.5Å; G174-T177 PolarHBondContact O-OG1 3.03Å; G174-T177 VanDerWaalsContact O-OG1 3.07Å; G174-L178 WeakPolarHBondContact O-CB 3.42Å; G174-L178 PolarHBondContact O-N 3.29Å
175K95.2Very high96.1Very high107 Ų10771.5 Ų71.547%0.46533%0.325SS..Hα-helixtrans-49.2-40.3-171.7-177.3170.2-171.6172.70114.2L171 E172 T177 Q179L171-K175 WeakPolarHBondContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CB 3.48Å; L171-K175 PolarHBondContact O-N 2.87Å; L171-K175 VanDerWaalsContact O-N 3.12Å; E172-K175 WeakPolarHBondContact O-CB 3.36Å; E172-K175 PolarHBondContact O-N 2.86Å; K175-T177 VanDerWaalsContact C-N 3.26Å; K175-T177 PolarHBondContact O-N 2.89Å; K175-Q179 HydrophobicContact CG-CB 4.42Å; K175-Q179 HydrophobicContact CG-CG 4.4Å; K175-Q179 WeakPolarHBondContact O-CB 3.41Å; K175-Q179 PolarHBondContact O-N 2.77Å
176K92Very high96.1Very high194 Ų19467.2 Ų67.284%0.84331%0.307SS*.Hα-helixtrans-65.1-26.3179.7-66.5-175.4-179178.40113.9G174 R180G174-K176 PolarHBondContact O-N 2.68Å; K176-R180 WeakPolarHBondContact O-CD 3.49Å
177T91.7Very high96.1Very high50 Ų5068.9 Ų68.931%0.30732%0.317SS..Hα-helixtrans-110.8-32.6-176.553.40000113.6G174 K175 R180G174-T177 PolarHBondContact O-N 3.5Å; G174-T177 PolarHBondContact O-OG1 3.03Å; G174-T177 VanDerWaalsContact O-OG1 3.07Å; K175-T177 VanDerWaalsContact C-N 3.26Å; K175-T177 PolarHBondContact O-N 2.89Å; T177-R180 WeakPolarHBondContact O-CG 3.11Å; T177-R180 PolarHBondContact O-NE 2.64Å
178L93.8Very high96.1Very high3 Ų370 Ų702%0.01632%0.324CS..Hα-helixtrans-91.4-26-175.5-62.9174.2000113H2 V27 T30 W50 Y170 L171 G174H2-L178 PolarHBondContact CE1-O 3.08Å; V27-L178 HydrophobicContact CB-CD1 4.29Å; V27-L178 HydrophobicContact CB-CD2 4.16Å; V27-L178 HydrophobicContact CG1-CD1 3.92Å; V27-L178 HydrophobicContact CG1-CD2 4.09Å; T30-L178 HydrophobicContact CG2-CD2 4.07Å; W50-L178 HydrophobicContact CD2-CD1 4.37Å; W50-L178 HydrophobicContact CH2-CD1 4.44Å; W50-L178 HydrophobicContact CZ2-CD1 3.87Å; W50-L178 HydrophobicContact CZ2-CD2 4.22Å; W50-L178 HydrophobicContact CZ2-CG 4.49Å; Y170-L178 WeakPolarHBondContact O-CD1 3.05Å; L171-L178 HydrophobicContact CD2-CB 4.13Å; L171-L178 HydrophobicContact CD2-CD1 4.41Å; G174-L178 WeakPolarHBondContact O-CB 3.42Å; G174-L178 PolarHBondContact O-N 3.29Å
179Q91.9Very high96.1Very high90 Ų9065.6 Ų65.642%0.42131%0.311SS..SBendtrans-105.424.4178.2-56.4-178.926.800111.9L171 K175L171-Q179 PolarHBondContact O-NE2 2.83Å; K175-Q179 HydrophobicContact CG-CB 4.42Å; K175-Q179 HydrophobicContact CG-CG 4.4Å; K175-Q179 WeakPolarHBondContact O-CB 3.41Å; K175-Q179 PolarHBondContact O-N 2.77Å
180R91.8Very high96.1Very high97 Ų9762.5 Ų62.537%0.36630%0.301SS..  trans-104.9147.217174.6-174.8168.8158.310.4109K176 T177 E182 Y208K176-R180 WeakPolarHBondContact O-CD 3.49Å; T177-R180 WeakPolarHBondContact O-CG 3.11Å; T177-R180 PolarHBondContact O-NE 2.64Å; R180-E182 IonicContact CZ-OE1 3.52Å; R180-E182 IonicContact NE-OE1 3.3Å; R180-E182 PolarHBondContact NE-OE1 3.49Å; R180-E182 IonicContact NH1-OE1 3.15Å; R180-E182 PolarHBondContact NH1-OE1 2.99Å; R180-E182 IonicContact NH2-OE1 3.93Å; R180-E182 PolarHBondContact NH2-OE1 2.04Å; R180-Y208 WeakPolarHBondContact O-CD1 3.44Å
181A94.3Very high96.1Very high44 Ų4466.3 Ų66.336%0.36432%0.318SS..  trans-114.5124.9162.300000108.1Y208 E263A181-Y208 CarbonylContact C-O 3.53Å; A181-Y208 VanDerWaalsContact CA-O 3.3Å; A181-Y208 WeakPolarHBondContact CA-O 3.19Å; A181-E263 HydrophobicContact CB-CG 4.12Å
182E95.6Very high96Very high58 Ų5870.3 Ų70.327%0.27135%0.346SS..BIsolated β-bridgetrans-95.1119.1171.7-65.1-169.2-161.900107.9R180 F207 Y208 T239 H262R180-E182 IonicContact CZ-OE1 3.52Å; R180-E182 IonicContact NE-OE1 3.3Å; R180-E182 PolarHBondContact NE-OE1 3.49Å; R180-E182 IonicContact NH1-OE1 3.15Å; R180-E182 PolarHBondContact NH1-OE1 2.99Å; R180-E182 IonicContact NH2-OE1 3.93Å; R180-E182 PolarHBondContact NH2-OE1 2.04Å; E182-F207 WeakPolarHBondContact O-CA 3.05Å; E182-F207 WeakPolarHBondContact O-CB 3.04Å; E182-Y208 PolarHBondContact N-O 2.84Å; E182-Y208 PolarHBondContact O-N 3.26Å; E182-T239 WeakPolarHBondContact OE2-CG2 3.41Å; E182-H262 PolarHBondContact O-CE1 2.85Å
183H96.4Very high95.8Very high108 Ų10869 Ų6950%0.535%0.346SS..PPolyproline II helixtrans-71.6148-178.358.3-99.7000111.3K185 L265H183-K185 PolarHBondContact O-N 3.32Å; H183-L265 HydrophobicContact CB-CD2 3.94Å; H183-L265 HydrophobicContact CB-CG 4.46Å
184P98.2Very high95.7Very high4 Ų469.1 Ų69.13%0.02635%0.35CS..PPolyproline II helixtrans-67.6132.2177.428.5-35.1000111.1T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 3.89Å; P184-T186 HydrophobicContact CG-CG2 4.11Å; P184-T186 PolarHBondContact O-N 2.82Å; P184-A204 HydrophobicContact CB-CB 3.8Å; P184-F207 HydrophobicContact CB-CB 3.91Å; P184-F207 HydrophobicContact CB-CD1 3.97Å; P184-F207 HydrophobicContact CB-CG 4.22Å; P184-I212 HydrophobicContact CB-CD1 3.97Å; P184-I212 HydrophobicContact CG-CD1 4.08Å; P184-V260 HydrophobicContact CG-CG1 3.95Å; P184-H262 HydrophobicContact CG-CB 4.03Å; P184-L265 HydrophobicContact CG-CD1 3.91Å; P184-L265 HydrophobicContact CG-CG 4.3Å
185K98.4Very high95.5Very high147 Ų14776.1 Ų76.164%0.63939%0.387SS*.EExtended strand (participates in β ladder)trans-79.1114.2162.7-64.5174.1-172.6168.50107.7H183 L205H183-K185 PolarHBondContact O-N 3.32Å; K185-L205 PolarHBondContact N-O 2.89Å; K185-L205 PolarHBondContact O-N 3.31Å
186T98.5Very high95.4Very high34 Ų3478 Ų7821%0.20940%0.397CS..EExtended strand (participates in β ladder)trans-115145-170.856.80000112.4P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 3.89Å; P184-T186 HydrophobicContact CG-CG2 4.11Å; P184-T186 PolarHBondContact O-N 2.82Å; T186-W203 WeakPolarHBondContact CA-O 3.41Å; T186-W203 WeakPolarHBondContact CB-O 3.38Å; T186-A204 HydrophobicContact CG2-CB 4.29Å; T186-V260 HydrophobicContact CG2-CB 4.39Å; T186-V260 HydrophobicContact CG2-CG1 4.06Å; T186-V260 HydrophobicContact CG2-CG2 3.98Å; T186-L269 HydrophobicContact CG2-CD1 4.36Å; T186-L271 HydrophobicContact CG2-CD1 4.26Å
187H98.5Very high95.6Very high80 Ų8073.1 Ų73.137%0.3738%0.377SS..EExtended strand (participates in β ladder)trans-160.3158.8172.762.8-75.2000110.2W203H187-W203 VanDerWaalsContact CE1-CB 3.46Å; H187-W203 WeakPolarHBondContact CE1-CB 3.35Å; H187-W203 AromaticContact CE1-CD1 3.96Å; H187-W203 AromaticContact CE1-CG 3.74Å; H187-W203 PolarHBondContact N-O 2.94Å; H187-W203 AromaticContact NE2-CD1 3.55Å; H187-W203 AromaticContact NE2-CG 3.79Å; H187-W203 PolarHBondContact O-N 2.72Å
188V98.7Very high95.9Very high24 Ų2470.8 Ų70.815%0.14536%0.363CS..EExtended strand (participates in β ladder)trans-108.5134.1174.3-179.40000109L200 R201 C202 W216 L271 W273V188-L200 HydrophobicContact CG1-CB 4.39Å; V188-L200 HydrophobicContact CG1-CD2 4.37Å; V188-R201 CarbonylContact C-O 3.59Å; V188-R201 WeakPolarHBondContact CA-O 3.39Å; V188-C202 HydrophobicContact CG2-CB 4.47Å; V188-W216 HydrophobicContact CG1-CH2 3.87Å; V188-W216 HydrophobicContact CG1-CZ2 4.25Å; V188-W216 HydrophobicContact CG2-CH2 4.17Å; V188-L271 HydrophobicContact CG2-CB 3.88Å; V188-W273 HydrophobicContact CG1-CB 3.9Å
189T98.4Very high96.1Very high32 Ų3271.6 Ų71.620%0.19637%0.368CS..EExtended strand (participates in β ladder)trans-111.4145.3173.750.50000109.7H191 L200 R201 W203T189-H191 PolarHBondContact OG1-NE2 3.49Å; T189-L200 WeakPolarHBondContact O-CA 3.42Å; T189-R201 PolarHBondContact N-O 3.37Å; T189-R201 PolarHBondContact O-N 2.91Å; T189-R201 WeakPolarHBondContact OG1-CB 3.13Å; T189-R201 PolarHBondContact OG1-O 3.21Å; T189-R201 VanDerWaalsContact OG1-O 3.14Å; T189-W203 PolarHBondContact OG1-NE1 3.46Å
190H98Very high96.5Very high50 Ų5067.3 Ų67.323%0.23135%0.348CS..EExtended strand (participates in β ladder)trans-119.7127.3-179.5170.1-93.6000109.7A198 T199 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 3.48Å; H190-T199 WeakPolarHBondContact CA-O 3.5Å; H190-L200 HydrophobicContact CB-CD2 4.01Å; H190-E253 IonicContact NE2-OE1 3.67Å; H190-W273 HydrophobicContact CB-CD2 3.9Å; H190-W273 VanDerWaalsContact CB-CE2 3.49Å; H190-W273 HydrophobicContact CB-CG 3.98Å; H190-W273 HydrophobicContact CB-CZ2 4.03Å; H190-W273 VanDerWaalsContact CB-NE1 3.33Å; H190-W273 AromaticContact CG-CE2 3.75Å; H190-W273 AromaticContact CG-CZ2 3.84Å; H190-W273 AromaticContact ND1-CZ2 3.88Å
191H97.1Very high96.8Very high80 Ų8065.2 Ų65.237%0.3734%0.341SS..EExtended strand (participates in β ladder)trans-129.5104.8-178.7-58.3-71.6000109.7T189 V193 A198 T199 R201T189-H191 PolarHBondContact OG1-NE2 3.49Å; H191-V193 PolarHBondContact O-N 2.96Å; H191-A198 CarbonylContact O-C 3.55Å; H191-A198 WeakPolarHBondContact O-CA 3.42Å; H191-T199 PolarHBondContact N-O 2.99Å; H191-T199 PolarHBondContact O-N 3.16Å; H191-R201 PolarHBondContact CD2-NH1 3.45Å; H191-R201 VanDerWaalsContact CD2-NH1 3.32Å; H191-R201 PolarHBondContact NE2-NH1 3.49Å; H191-R201 VanDerWaalsContact NE2-NH1 3.11Å
192P95.8Very high97Very high100 Ų10063.1 Ų63.165%0.64932%0.323SS*.EExtended strand (participates in β ladder)trans-57.3130.8172.7-21.531.6000110.8
193V93.9Very high97.2Very high94 Ų9462.7 Ų62.757%0.5732%0.319SS*.  trans-105.4-40.2176.7-178.70000110.1H191 E197 T199H191-V193 PolarHBondContact O-N 2.96Å; V193-E197 PolarHBondContact N-O 3.03Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.46Å
194S94.6Very high97.3Very high52 Ų5257.6 Ų57.636%0.36430%0.295SS..SBendtrans-148.4-178.5175.2720000110.5H196 E197S194-H196 PolarHBondContact O-N 2.99Å; S194-H196 VanDerWaalsContact O-N 3.15Å; S194-H196 PolarHBondContact OG-N 3.03Å; S194-E197 PolarHBondContact N-O 2.72Å; S194-E197 VanDerWaalsContact O-O 3.13Å; S194-E197 PolarHBondContact OG-N 3.06Å
195D92Very high97.3Very high151 Ų15160 Ų6081%0.80731%0.308SS*.SBendtrans-65.4-10.3172.7-65.1-20.8000113.4
196H94.8Very high97.3Very high145 Ų14554 Ų5467%0.67129%0.288SS*.SBendtrans-116.6-15.8-175.5-56.2-45000113.5S194 P249 S250S194-H196 PolarHBondContact O-N 2.99Å; S194-H196 VanDerWaalsContact O-N 3.15Å; S194-H196 PolarHBondContact OG-N 3.03Å; H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.24Å; H196-S250 VanDerWaalsContact C-OG 3.26Å; H196-S250 PolarHBondContact O-N 2.63Å
197E96.3Very high97.3Very high92 Ų9252.4 Ų52.443%0.4328%0.278SS..EExtended strand (participates in β ladder)trans-143.7145.4-170.3-66.7-179.116200112.4V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 3.03Å; S194-E197 PolarHBondContact N-O 2.72Å; S194-E197 VanDerWaalsContact O-O 3.13Å; S194-E197 PolarHBondContact OG-N 3.06Å; E197-V247 HydrophobicContact CB-CG1 4.03Å; E197-V247 HydrophobicContact CG-CG1 4.23Å; E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.19Å; E197-S250 PolarHBondContact N-OG 3.33Å
198A97.5Very high97.2Very high1 Ų148.9 Ų48.91%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-134.7154.8170.700000110.9H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.48Å; H191-A198 CarbonylContact O-C 3.55Å; H191-A198 WeakPolarHBondContact O-CA 3.42Å; A198-V247 WeakPolarHBondContact O-CA 3.47Å; A198-V248 PolarHBondContact N-O 3.06Å; A198-V248 PolarHBondContact O-N 2.83Å
199T98.4Very high97.2Very high21 Ų2148.6 Ų48.613%0.12926%0.26CS..EExtended strand (participates in β ladder)trans-94.1123.5169.7-550000109.6H190 H191 V193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.5Å; H191-T199 PolarHBondContact N-O 2.99Å; H191-T199 PolarHBondContact O-N 3.16Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.46Å; T199-A245 HydrophobicContact CG2-CB 3.89Å; T199-V246 WeakPolarHBondContact CA-O 3.12Å
200L98.7Very high97.1Very high0 Ų047.9 Ų47.90%026%0.257CS..EExtended strand (participates in β ladder)trans-94.5124.7163.8-63.3-176.5000108.8V188 T189 H190 W216 A245 V246 V248 E253 W273V188-L200 HydrophobicContact CG1-CB 4.39Å; V188-L200 HydrophobicContact CG1-CD2 4.37Å; T189-L200 WeakPolarHBondContact O-CA 3.42Å; H190-L200 HydrophobicContact CB-CD2 4.01Å; L200-W216 HydrophobicContact CB-CH2 3.72Å; L200-W216 HydrophobicContact CB-CZ2 3.75Å; L200-W216 HydrophobicContact CD1-CH2 4.06Å; L200-W216 HydrophobicContact CD1-CZ3 4.23Å; L200-A245 CarbonylContact O-C 3.43Å; L200-A245 WeakPolarHBondContact O-CA 3.03Å; L200-V246 HydrophobicContact CB-CG2 4.22Å; L200-V246 PolarHBondContact N-O 3.48Å; L200-V246 PolarHBondContact O-N 3.13Å; L200-V248 HydrophobicContact CD1-CG1 4.02Å; L200-V248 HydrophobicContact CD1-CG2 4.05Å; L200-V248 HydrophobicContact CG-CG1 4.18Å; L200-V248 HydrophobicContact CG-CG2 3.86Å; L200-E253 HydrophobicContact CD1-CB 4.16Å; L200-E253 HydrophobicContact CD2-CG 4.35Å; L200-W273 HydrophobicContact CD2-CB 3.89Å; L200-W273 HydrophobicContact CD2-CG 4.14Å
201R98.7Very high97.1Very high53 Ų5352.6 Ų52.620%0.228%0.28CS..EExtended strand (participates in β ladder)trans-121.5117.8176.7-178.9-177.4-61.6112.70.1110.5V188 T189 H191 W203 W243 A244 A245V188-R201 CarbonylContact C-O 3.59Å; V188-R201 WeakPolarHBondContact CA-O 3.39Å; T189-R201 PolarHBondContact N-O 3.37Å; T189-R201 PolarHBondContact O-N 2.91Å; T189-R201 WeakPolarHBondContact OG1-CB 3.13Å; T189-R201 PolarHBondContact OG1-O 3.21Å; T189-R201 VanDerWaalsContact OG1-O 3.14Å; H191-R201 PolarHBondContact CD2-NH1 3.45Å; H191-R201 VanDerWaalsContact CD2-NH1 3.32Å; H191-R201 PolarHBondContact NE2-NH1 3.49Å; H191-R201 VanDerWaalsContact NE2-NH1 3.11Å; R201-W203 VanDerWaalsContact CD-NE1 3.34Å; R201-W203 HydrophobicContact CG-CZ2 4.44Å; R201-W243 HydrophobicContact CG-CB 3.98Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.93Å; R201-W243 HydrophobicContact CG-CG 4.21Å; R201-A244 WeakPolarHBondContact CA-O 3.24Å; R201-A245 HydrophobicContact CB-CB 4.01Å; R201-A245 HydrophobicContact CG-CB 4.14Å
202C98.8Very high97.2Very high0 Ų049.4 Ų49.40%027%0.265CS..EExtended strand (participates in β ladder)trans-90.5122.7175.2-174.20000109.7V188 W216 W243 A244 C258V188-C202 HydrophobicContact CG2-CB 4.47Å; C202-W216 HydrophobicContact CB-CZ2 3.65Å; C202-W243 CarbonylContact O-C 3.56Å; C202-W243 WeakPolarHBondContact O-CA 3.17Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.32Å; C202-A244 PolarHBondContact N-O 2.9Å; C202-A244 PolarHBondContact O-N 3.12Å; C202-C258 HydrophobicContact CB-CB 3.51Å; C202-C258 WeakPolarHBondContact CB-SG 3.39Å; C202-C258 WeakPolarHBondContact SG-CB 3.24Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.78Å
203W98.8Very high97.3Very high49 Ų4947.3 Ų47.319%0.18625%0.25CS..EExtended strand (participates in β ladder)trans-104.9143-179.8-71.391.2000111T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.41Å; T186-W203 WeakPolarHBondContact CB-O 3.38Å; H187-W203 VanDerWaalsContact CE1-CB 3.46Å; H187-W203 WeakPolarHBondContact CE1-CB 3.35Å; H187-W203 AromaticContact CE1-CD1 3.96Å; H187-W203 AromaticContact CE1-CG 3.74Å; H187-W203 PolarHBondContact N-O 2.94Å; H187-W203 AromaticContact NE2-CD1 3.55Å; H187-W203 AromaticContact NE2-CG 3.79Å; H187-W203 PolarHBondContact O-N 2.72Å; T189-W203 PolarHBondContact OG1-NE1 3.46Å; R201-W203 VanDerWaalsContact CD-NE1 3.34Å; R201-W203 HydrophobicContact CG-CZ2 4.44Å; W203-L205 HydrophobicContact CE3-CD2 3.89Å; W203-L205 HydrophobicContact CZ3-CD2 4.41Å; W203-W243 HydrophobicContact CD2-CB 3.92Å; W203-W243 HydrophobicContact CD2-CG 4.46Å; 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 4.38Å; W203-W243 AromaticContact CH2-CD1 3.52Å; W203-W243 HydrophobicContact CH2-CG 4.19Å; W203-W243 AromaticContact CH2-NE1 4Å; W203-W243 HydrophobicContact CZ2-CG 4.44Å; W203-W243 HydrophobicContact CZ3-CB 4.23Å; W203-W243 AromaticContact CZ3-CD1 3.38Å; W203-W243 HydrophobicContact CZ3-CG 4.08Å
204A98.8Very high97.5Very high0 Ų043.2 Ų43.20%023%0.225CC..EExtended strand (participates in β ladder)trans-125.7124.7161.500000108.4P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.8Å; T186-A204 HydrophobicContact CG2-CB 4.29Å; A204-F207 HydrophobicContact CB-CD1 4.02Å; A204-F207 HydrophobicContact CB-CE1 3.8Å; A204-F207 WeakPolarHBondContact O-CE1 3.41Å; A204-I212 HydrophobicContact CB-CD1 3.55Å; A204-L214 HydrophobicContact CB-CD1 4.21Å; A204-L214 HydrophobicContact CB-CD2 4.18Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.39Å; A204-K242 PolarHBondContact N-O 3.32Å; A204-K242 PolarHBondContact O-N 3.03Å; A204-K242 VanDerWaalsContact O-O 3.12Å
205L98.6Very high97.7Very high56 Ų5642.2 Ų42.229%0.29322%0.217SC..EExtended strand (participates in β ladder)trans-131148.1-175.4-58.4176.7000111K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 2.89Å; K185-L205 PolarHBondContact O-N 3.31Å; W203-L205 HydrophobicContact CE3-CD2 3.89Å; W203-L205 HydrophobicContact CZ3-CD2 4.41Å; L205-F207 PolarHBondContact O-N 2.82Å; L205-Q241 HydrophobicContact CD2-CB 3.59Å
206G98Very high98Very high21 Ų2135 Ų3522%0.21618%0.178CC..EExtended strand (participates in β ladder)trans69.630.7168.400000113.9F240G206-F240 PolarHBondContact N-O 2.84Å
207F98.4Very high98.2Very high0 Ų029.9 Ų29.90%016%0.155CC..EExtended strand (participates in β ladder)trans-101.2152.5179.859.3-89.2000112.4E182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262E182-F207 WeakPolarHBondContact O-CA 3.05Å; E182-F207 WeakPolarHBondContact O-CB 3.04Å; P184-F207 HydrophobicContact CB-CB 3.91Å; P184-F207 HydrophobicContact CB-CD1 3.97Å; P184-F207 HydrophobicContact CB-CG 4.22Å; A204-F207 HydrophobicContact CB-CD1 4.02Å; A204-F207 HydrophobicContact CB-CE1 3.8Å; A204-F207 WeakPolarHBondContact O-CE1 3.41Å; L205-F207 PolarHBondContact O-N 2.82Å; F207-P209 WeakPolarHBondContact CD2-O 3.25Å; F207-I212 HydrophobicContact CD1-CD1 3.89Å; F207-I212 HydrophobicContact CD2-CB 4.28Å; F207-I212 HydrophobicContact CD2-CD1 4.07Å; F207-I212 HydrophobicContact CD2-CG2 4.49Å; F207-I212 HydrophobicContact CE1-CD1 3.82Å; F207-I212 HydrophobicContact CE1-CG2 4.44Å; F207-I212 HydrophobicContact CE2-CB 3.8Å; F207-I212 HydrophobicContact CE2-CD1 4.02Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 4.03Å; F207-I212 HydrophobicContact CZ-CB 4.18Å; F207-I212 HydrophobicContact CZ-CD1 3.91Å; F207-I212 HydrophobicContact CZ-CG2 3.56Å; F207-T232 HydrophobicContact CE2-CG2 4.02Å; F207-T232 HydrophobicContact CZ-CG2 3.89Å; F207-T239 CarbonylContact O-C 3.6Å; F207-T239 WeakPolarHBondContact O-CA 3.34Å; F207-F240 VanDerWaalsContact CD1-O 3.29Å; F207-F240 WeakPolarHBondContact CD1-O 3.5Å; F207-F240 HydrophobicContact CD2-CB 3.88Å; F207-F240 HydrophobicContact CE1-CB 4.25Å; F207-F240 WeakPolarHBondContact CE1-O 3.2Å; F207-F240 HydrophobicContact CE2-CB 3.44Å; F207-F240 VanDerWaalsContact CE2-CB 3.44Å; F207-F240 HydrophobicContact CE2-CG 4.42Å; F207-F240 HydrophobicContact CG-CB 4.42Å; F207-F240 HydrophobicContact CZ-CB 3.63Å; F207-F240 PolarHBondContact N-O 3.11Å; F207-F240 WeakPolarHBondContact O-CD2 3.38Å; F207-F240 PolarHBondContact O-N 3.14Å; F207-K242 HydrophobicContact CE1-CB 4.35Å; F207-K242 HydrophobicContact CZ-CB 4.08Å; F207-H262 AromaticContact CD2-CD2 3.89Å; F207-H262 AromaticContact CD2-NE2 3.83Å
208Y97.8Very high98.3Very high5 Ų528.9 Ų28.92%0.0215%0.147CC..BIsolated β-bridgetrans-149.1135.9172.2177.1-84.6000108.3D29 T30 R180 A181 E182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.85Å; T30-Y208 PolarHBondContact OG1-OH 3.29Å; R180-Y208 WeakPolarHBondContact O-CD1 3.44Å; A181-Y208 CarbonylContact C-O 3.53Å; A181-Y208 VanDerWaalsContact CA-O 3.3Å; A181-Y208 WeakPolarHBondContact CA-O 3.19Å; E182-Y208 PolarHBondContact N-O 2.84Å; E182-Y208 PolarHBondContact O-N 3.26Å; Y208-G238 WeakPolarHBondContact CD2-O 3.44Å; Y208-F240 HydrophobicContact CD2-CE2 4Å; Y208-F240 HydrophobicContact CE2-CE2 4.49Å; Y208-H262 PolarHBondContact O-CE1 3.01Å
209P97.4Very high98.2Very high18 Ų1833.5 Ų33.512%0.11717%0.172CC..SBendcis-72.5179.30.631.1-37.7000112.8D29 F207 E211 H262 E263D29-P209 WeakPolarHBondContact OD2-CB 3.42Å; F207-P209 WeakPolarHBondContact CD2-O 3.25Å; P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 2.69Å; P209-H262 PolarHBondContact O-NE2 3.36Å; P209-E263 VanDerWaalsContact CD-CD 3.44Å; P209-E263 WeakPolarHBondContact CD-OE1 3.34Å; P209-E263 VanDerWaalsContact CG-CD 3.48Å; P209-E263 HydrophobicContact CG-CG 3.83Å; P209-E263 WeakPolarHBondContact CG-OE1 3.18Å
210A97.8Very high98Very high17 Ų1734.8 Ų34.814%0.1419%0.189CC..SBendtrans-69.7-23.3-174.300000114.2D29 I212 T232 F240D29-A210 WeakPolarHBondContact OD2-CB 3.45Å; D29-A210 PolarHBondContact OD2-N 3Å; A210-I212 PolarHBondContact O-N 3.21Å; A210-T232 HydrophobicContact CB-CG2 4.26Å; A210-F240 HydrophobicContact CB-CD1 3.75Å; A210-F240 HydrophobicContact CB-CD2 3.75Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.69Å; A210-F240 HydrophobicContact CB-CG 3.79Å; A210-F240 HydrophobicContact CB-CZ 3.68Å
211E98Very high97.9Very high150 Ų15041.6 Ų41.670%0.70122%0.221SC*.  trans-65.9119.1179.7-171.360.7-151.800110.2P209 H262P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 2.69Å; E211-H262 PolarHBondContact O-CD2 3.15Å
212I98.4Very high97.9Very high13 Ų1343.6 Ų43.67%0.06724%0.235CC..  trans-154.2143.4-179.5-165.7170.6000109.6P184 A204 F207 A210 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 3.97Å; P184-I212 HydrophobicContact CG-CD1 4.08Å; A204-I212 HydrophobicContact CB-CD1 3.55Å; F207-I212 HydrophobicContact CD1-CD1 3.89Å; F207-I212 HydrophobicContact CD2-CB 4.28Å; F207-I212 HydrophobicContact CD2-CD1 4.07Å; F207-I212 HydrophobicContact CD2-CG2 4.49Å; F207-I212 HydrophobicContact CE1-CD1 3.82Å; F207-I212 HydrophobicContact CE1-CG2 4.44Å; F207-I212 HydrophobicContact CE2-CB 3.8Å; F207-I212 HydrophobicContact CE2-CD1 4.02Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 4.03Å; F207-I212 HydrophobicContact CZ-CB 4.18Å; F207-I212 HydrophobicContact CZ-CD1 3.91Å; F207-I212 HydrophobicContact CZ-CG2 3.56Å; A210-I212 PolarHBondContact O-N 3.21Å; I212-K242 HydrophobicContact CG2-CB 4.3Å; I212-K242 HydrophobicContact CG2-CD 3.59Å; I212-V260 HydrophobicContact CD1-CG1 4Å; I212-V260 HydrophobicContact CG1-CG1 4.3Å; I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.45Å; I212-H262 HydrophobicContact CD1-CB 4.46Å; I212-H262 HydrophobicContact CG1-CB 4.21Å
213T98.4Very high97.8Very high55 Ų5544.9 Ų44.934%0.33724%0.241SC..EExtended strand (participates in β ladder)trans-110.7128.5171.9-50.60000109.6V260 Q261T213-V260 WeakPolarHBondContact O-CA 3.46Å; T213-Q261 PolarHBondContact N-O 3.47Å; T213-Q261 PolarHBondContact O-N 2.91Å
214L98.4Very high97.5Very high8 Ų847.5 Ų47.54%0.04226%0.263CS..EExtended strand (participates in β ladder)trans-123.6118.7171.9-71.9174.4000108.5A204 L229 K242 A244 L259 V260A204-L214 HydrophobicContact CB-CD1 4.21Å; A204-L214 HydrophobicContact CB-CD2 4.18Å; L214-L229 HydrophobicContact CB-CD1 4.19Å; L214-K242 HydrophobicContact CD1-CB 3.81Å; L214-K242 HydrophobicContact CD1-CD 3.87Å; L214-K242 HydrophobicContact CD1-CG 3.8Å; L214-K242 HydrophobicContact CG-CD 4.39Å; L214-A244 HydrophobicContact CB-CB 3.99Å; L214-L259 WeakPolarHBondContact CA-O 3.42Å; L214-V260 HydrophobicContact CD2-CB 4.11Å; L214-V260 HydrophobicContact CD2-CG1 3.78Å; L214-V260 HydrophobicContact CD2-CG2 3.58Å
215T98.4Very high97.3Very high31 Ų3156.6 Ų56.619%0.1931%0.306CS..EExtended strand (participates in β ladder)trans-131.7134.7-178.5-52.10000110.2D222 C258 L259T215-D222 HydrophobicContact CG2-CB 4.24Å; T215-C258 CarbonylContact O-C 3.59Å; T215-C258 WeakPolarHBondContact O-CA 3.33Å; T215-L259 PolarHBondContact N-O 2.94Å; T215-L259 PolarHBondContact O-N 2.96Å
216W98.6Very high97.1Very high0 Ų059.3 Ų59.30%032%0.32CS..EExtended strand (participates in β ladder)trans-92.4137166.6-82.4105.6000110.4V188 L200 C202 Q223 A244 V246 C258V188-W216 HydrophobicContact CG1-CH2 3.87Å; V188-W216 HydrophobicContact CG1-CZ2 4.25Å; V188-W216 HydrophobicContact CG2-CH2 4.17Å; L200-W216 HydrophobicContact CB-CH2 3.72Å; L200-W216 HydrophobicContact CB-CZ2 3.75Å; L200-W216 HydrophobicContact CD1-CH2 4.06Å; L200-W216 HydrophobicContact CD1-CZ3 4.23Å; C202-W216 HydrophobicContact CB-CZ2 3.65Å; W216-Q223 HydrophobicContact CB-CB 4.33Å; W216-Q223 PolarHBondContact O-N 2.91Å; W216-A244 PolarHBondContact NE1-O 2.84Å; W216-V246 HydrophobicContact CB-CG1 3.67Å; W216-V246 HydrophobicContact CB-CG2 4.33Å; W216-V246 HydrophobicContact CD2-CG1 4.47Å; W216-V246 HydrophobicContact CD2-CG2 3.66Å; W216-V246 HydrophobicContact CE3-CG2 4.1Å; W216-V246 HydrophobicContact CG-CB 4.37Å; W216-V246 HydrophobicContact CG-CG1 3.67Å; W216-V246 HydrophobicContact CG-CG2 3.76Å; W216-V246 HydrophobicContact CZ2-CG2 4.42Å; W216-C258 HydrophobicContact CD2-CB 4.13Å; W216-C258 HydrophobicContact CE3-CB 4.07Å; W216-C258 HydrophobicContact CH2-CB 4Å; W216-C258 HydrophobicContact CZ2-CB 4.06Å; W216-C258 HydrophobicContact CZ3-CB 4Å
217Q98.4Very high97Very high38 Ų3859.5 Ų59.518%0.17832%0.317CS..EExtended strand (participates in β ladder)trans-120.6144.4171.3-71.1-175.6-18.700110.4E221 D222 Y256 T257 L259Q217-E221 CarbonylContact C-O 3.53Å; Q217-E221 WeakPolarHBondContact CA-O 3.44Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.37Å; Q217-D222 PolarHBondContact NE2-OD1 2.9Å; Q217-Y256 CarbonylContact O-C 3.58Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.4Å; Q217-T257 PolarHBondContact N-O 2.97Å; Q217-T257 PolarHBondContact O-N 3.45Å; Q217-L259 HydrophobicContact CG-CD1 4.15Å; Q217-L259 VanDerWaalsContact NE2-CD1 3.34Å
218R98Very high97Very high71 Ų7165 Ų6527%0.26834%0.343SS..EExtended strand (participates in β ladder)trans-115.5119.3168.1-175.6-172.7-176.2178.6-0.8108.2G220 E221 Q223 E252 R255 Y256R218-G220 PolarHBondContact O-N 3.34Å; R218-E221 PolarHBondContact N-O 2.87Å; R218-E221 PolarHBondContact O-N 2.65Å; R218-Q223 HydrophobicContact CB-CG 3.99Å; R218-E252 IonicContact CZ-OE2 3.95Å; R218-E252 IonicContact NE-OE2 3.84Å; R218-E252 IonicContact NH2-OE1 2.72Å; R218-E252 IonicContact NH2-OE2 3.74Å; R218-E252 PolarHBondContact NH2-OE2 3.48Å; R218-R255 WeakPolarHBondContact CA-O 3.39Å; R218-R255 HydrophobicContact CG-CB 4.42Å; R218-Y256 HydrophobicContact CB-CD1 4.07Å; R218-Y256 HydrophobicContact CB-CE1 3.82Å; R218-Y256 WeakPolarHBondContact CD-OH 3.38Å; R218-Y256 HydrophobicContact CG-CD1 4.42Å; R218-Y256 HydrophobicContact CG-CE1 3.98Å; R218-Y256 HydrophobicContact CG-CE2 4.18Å; R218-Y256 PolarHBondContact NE-OH 3.08Å
219D96.6Very high97Very high98 Ų9869.1 Ų69.152%0.52437%0.365SS..THydrogen-bonded Turntrans51.129.2-175.2-51.1-52.7000114R255D219-R255 PolarHBondContact N-O 2.83Å; D219-R255 IonicContact OD1-NE 3.85Å; D219-R255 PolarHBondContact OD1-NE 3.49Å; D219-R255 IonicContact OD2-CZ 3.58Å; D219-R255 IonicContact OD2-NE 2.74Å; D219-R255 PolarHBondContact OD2-NE 3.3Å; D219-R255 IonicContact OD2-NH2 3.53Å; D219-R255 PolarHBondContact OD2-NH2 3.08Å
220G93.3Very high97Very high47 Ų4769.8 Ų69.849%0.48537%0.368SS..THydrogen-bonded Turntrans91.5-1.7-177.600000115.6R218R218-G220 PolarHBondContact O-N 3.34Å
221E97.1Very high97Very high144 Ų14477.2 Ų77.267%0.67340%0.4SS*.EExtended strand (participates in β ladder)trans-99.6128.5177.7-62.9-171.4171.100112.3Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.53Å; Q217-E221 WeakPolarHBondContact CA-O 3.44Å; R218-E221 PolarHBondContact N-O 2.87Å; R218-E221 PolarHBondContact O-N 2.65Å; E221-Q223 PolarHBondContact O-NE2 3.11Å
222D97.1Very high97.1Very high95 Ų9572.4 Ų72.451%0.50838%0.381SS..EExtended strand (participates in β ladder)trans-61.6132.6-179.2-70.1-9.5000112.5T215 Q217T215-D222 HydrophobicContact CG2-CB 4.24Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.37Å; Q217-D222 PolarHBondContact NE2-OD1 2.9Å
223Q96.9Very high97.1Very high27 Ų2776.4 Ų76.413%0.12640%0.395CS..  trans-10239.9-177.3-58.3-59.8-69.800112.3W216 R218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.33Å; W216-Q223 PolarHBondContact O-N 2.91Å; R218-Q223 HydrophobicContact CB-CG 3.99Å; E221-Q223 PolarHBondContact O-NE2 3.11Å; Q223-Q225 VanDerWaalsContact C-N 3.29Å; Q223-Q225 PolarHBondContact O-N 2.86Å; Q223-D226 PolarHBondContact O-N 2.9Å; Q223-D226 VanDerWaalsContact O-N 3.16Å; Q223-T227 WeakPolarHBondContact O-CB 3.48Å; Q223-T227 PolarHBondContact O-N 3.3Å; Q223-T227 PolarHBondContact O-OG1 3.46Å; Q223-V246 HydrophobicContact CB-CG1 4.37Å; Q223-Y256 HydrophobicContact CG-CE1 4.46Å
224T93.6Very high97Very high104 Ų10478.2 Ų78.264%0.63841%0.408SS*.THydrogen-bonded Turntrans-58.8-34.8-169.6-530000114
225Q94.5Very high97Very high191 Ų19180.2 Ų80.289%0.89343%0.426SS*.THydrogen-bonded Turntrans-76.4-30.7-179.5-66.4-172.9-300113Q223Q223-Q225 VanDerWaalsContact C-N 3.29Å; Q223-Q225 PolarHBondContact O-N 2.86Å
226D93.5Very high96.8Very high112 Ų11282.4 Ų82.460%0.59946%0.455SS*.THydrogen-bonded Turntrans-96.8-2.4-176.4-55.6-59.8000112.5Q223Q223-D226 PolarHBondContact O-N 2.9Å; Q223-D226 VanDerWaalsContact O-N 3.16Å
227T97.3Very high96.6Very high25 Ų2587.8 Ų87.815%0.15348%0.483CS..  trans-89.6119.4179.3-62.30000110.8Q223 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.48Å; Q223-T227 PolarHBondContact O-N 3.3Å; Q223-T227 PolarHBondContact O-OG1 3.46Å; T227-L229 HydrophobicContact CG2-CB 4.39Å; T227-L229 PolarHBondContact O-N 3.15Å; T227-A244 HydrophobicContact CG2-CB 3.87Å; T227-A245 CarbonylContact C-O 3.54Å; T227-A245 WeakPolarHBondContact CA-O 3.34Å; T227-V246 HydrophobicContact CG2-CG1 4.49Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.23Å
228E97.9Very high96.3Very high117 Ų11788 Ų8855%0.54750%0.496SS..EExtended strand (participates in β ladder)trans-76111.6162.6-172.9-174.7-172.200108.9W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.16Å; E228-W243 HydrophobicContact CG-CH2 3.85Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 2.97Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.34Å; E228-A244 CarbonylContact O-C 3.57Å; E228-A244 WeakPolarHBondContact O-CA 3.38Å; E228-A245 HydrophobicContact CB-CB 4.46Å; E228-A245 PolarHBondContact N-O 3.3Å; E228-A245 PolarHBondContact O-N 3.13Å
229L97.9Very high96.3Very high90 Ų9085 Ų8547%0.47149%0.485SS..EExtended strand (participates in β ladder)trans-118.1120-178.8-17268.9000110.2L214 T227 A244L214-L229 HydrophobicContact CB-CD1 4.19Å; T227-L229 HydrophobicContact CG2-CB 4.39Å; T227-L229 PolarHBondContact O-N 3.15Å; L229-A244 HydrophobicContact CD1-CB 3.6Å
230V97.8Very high96.4Very high32 Ų3281.6 Ų81.619%0.19447%0.466CS..PPolyproline II helixtrans-83.2153175.2-65.50000112.2K242 W243V230-K242 HydrophobicContact CG2-CG 4.4Å; V230-K242 WeakPolarHBondContact O-CE 3.38Å; V230-K242 WeakPolarHBondContact O-CG 3.49Å; V230-K242 PolarHBondContact O-NZ 3.23Å; V230-W243 HydrophobicContact CB-CZ2 4.43Å; V230-W243 HydrophobicContact CG1-CD2 3.96Å; V230-W243 HydrophobicContact CG1-CE3 4.35Å; V230-W243 HydrophobicContact CG1-CH2 3.66Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.2Å; V230-W243 HydrophobicContact CG2-CD2 3.81Å; V230-W243 HydrophobicContact CG2-CG 3.74Å; V230-W243 HydrophobicContact CG2-CZ2 4.48Å; V230-W243 WeakPolarHBondContact CG2-O 3.45Å; V230-W243 PolarHBondContact N-O 3.32Å
231E97.8Very high96.7Very high174 Ų17481.5 Ų81.581%0.81345%0.453SS*.PPolyproline II helixtrans-56.7146166.9-68.2-173.317300111R233E231-R233 PolarHBondContact O-N 2.83Å
232T98.5Very high96.7Very high48 Ų4875.7 Ų75.729%0.29443%0.426SS..PPolyproline II helixtrans-65.1129.1172.4-56.90000108.4F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.02Å; F207-T232 HydrophobicContact CZ-CG2 3.89Å; A210-T232 HydrophobicContact CB-CG2 4.26Å; T232-F240 HydrophobicContact CG2-CB 3.81Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.14Å; T232-K242 WeakPolarHBondContact OG1-CD 3.45Å; T232-K242 PolarHBondContact OG1-NZ 2.87Å
233R98.2Very high96.8Very high97 Ų9772.4 Ų72.437%0.36641%0.406SS..EExtended strand (participates in β ladder)trans-127.2145.1-174.467.7-169.3-178.6-170.82.6111.5E231 F240 Q241E231-R233 PolarHBondContact O-N 2.83Å; R233-F240 WeakPolarHBondContact O-CA 3.43Å; R233-Q241 HydrophobicContact CG-CG 3.56Å; R233-Q241 PolarHBondContact N-O 2.87Å; R233-Q241 WeakPolarHBondContact O-CG 3.39Å; R233-Q241 PolarHBondContact O-N 3.39Å
234P97.9Very high96.9Very high93 Ų9371.1 Ų71.160%0.60440%0.4SS*.EExtended strand (participates in β ladder)trans-69.2144.8179.129-34.8000111.2F240P234-F240 HydrophobicContact CB-CE1 4.36Å
235A97.3Very high97.1Very high50 Ų5066.3 Ų66.341%0.41337%0.371SS..  trans-87.7-17.4172.900000112.9T239A235-T239 PolarHBondContact N-O 3.33Å
236G94.8Very high97.3Very high78 Ų7857.4 Ų57.480%0.80433%0.33SS*.SBendtrans95.8-7.5179.200000114.9
237D94.1Very high97.5Very high112 Ų11256 Ų5660%0.59932%0.324SS*.SBendtrans-104.310.9176.461.22.1000113.2T239D237-T239 WeakPolarHBondContact OD1-CB 3.46Å; D237-T239 PolarHBondContact OD1-N 3.13Å; D237-T239 PolarHBondContact OD1-OG1 2.84Å
238G93.1Very high97.5Very high43 Ų4354.8 Ų54.844%0.44332%0.317SS..SBendtrans91.5-2.2-174.100000114.2Y208Y208-G238 WeakPolarHBondContact CD2-O 3.44Å
239T97.4Very high97.5Very high7 Ų751.5 Ų51.54%0.04331%0.306CS..  trans-103.6173.7173.773.90000112.5E182 F207 A235 D237E182-T239 WeakPolarHBondContact OE2-CG2 3.41Å; F207-T239 CarbonylContact O-C 3.6Å; F207-T239 WeakPolarHBondContact O-CA 3.34Å; A235-T239 PolarHBondContact N-O 3.33Å; D237-T239 WeakPolarHBondContact OD1-CB 3.46Å; D237-T239 PolarHBondContact OD1-N 3.13Å; D237-T239 PolarHBondContact OD1-OG1 2.84Å
240F98.6Very high97.4Very high27 Ų2749.9 Ų49.912%0.11830%0.302CS..EExtended strand (participates in β ladder)trans-121.9162.6-178.1-63.3-86.8000112.1D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.84Å; D29-F240 HydrophobicContact CB-CZ 3.78Å; G206-F240 PolarHBondContact N-O 2.84Å; F207-F240 VanDerWaalsContact CD1-O 3.29Å; F207-F240 WeakPolarHBondContact CD1-O 3.5Å; F207-F240 HydrophobicContact CD2-CB 3.88Å; F207-F240 HydrophobicContact CE1-CB 4.25Å; F207-F240 WeakPolarHBondContact CE1-O 3.2Å; F207-F240 HydrophobicContact CE2-CB 3.44Å; F207-F240 VanDerWaalsContact CE2-CB 3.44Å; F207-F240 HydrophobicContact CE2-CG 4.42Å; F207-F240 HydrophobicContact CG-CB 4.42Å; F207-F240 HydrophobicContact CZ-CB 3.63Å; F207-F240 PolarHBondContact N-O 3.11Å; F207-F240 WeakPolarHBondContact O-CD2 3.38Å; F207-F240 PolarHBondContact O-N 3.14Å; Y208-F240 HydrophobicContact CD2-CE2 4Å; Y208-F240 HydrophobicContact CE2-CE2 4.49Å; A210-F240 HydrophobicContact CB-CD1 3.75Å; A210-F240 HydrophobicContact CB-CD2 3.75Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.69Å; A210-F240 HydrophobicContact CB-CG 3.79Å; A210-F240 HydrophobicContact CB-CZ 3.68Å; T232-F240 HydrophobicContact CG2-CB 3.81Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.14Å; R233-F240 WeakPolarHBondContact O-CA 3.43Å; P234-F240 HydrophobicContact CB-CE1 4.36Å
241Q98.6Very high97.3Very high45 Ų4551.6 Ų51.621%0.2133%0.327CS..EExtended strand (participates in β ladder)trans-140.7147.7174.246.9168.8-26.700110.2A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.39Å; L205-Q241 HydrophobicContact CD2-CB 3.59Å; R233-Q241 HydrophobicContact CG-CG 3.56Å; R233-Q241 PolarHBondContact N-O 2.87Å; R233-Q241 WeakPolarHBondContact O-CG 3.39Å; R233-Q241 PolarHBondContact O-N 3.39Å
242K98.8Very high97.2Very high23 Ų2345.9 Ų45.910%0.130%0.3CS..EExtended strand (participates in β ladder)trans-152.9154.7177.4-163.6-175.1-175.170.20109A204 F207 I212 L214 V230 T232A204-K242 PolarHBondContact N-O 3.32Å; A204-K242 PolarHBondContact O-N 3.03Å; A204-K242 VanDerWaalsContact O-O 3.12Å; F207-K242 HydrophobicContact CE1-CB 4.35Å; F207-K242 HydrophobicContact CZ-CB 4.08Å; I212-K242 HydrophobicContact CG2-CB 4.3Å; I212-K242 HydrophobicContact CG2-CD 3.59Å; L214-K242 HydrophobicContact CD1-CB 3.81Å; L214-K242 HydrophobicContact CD1-CD 3.87Å; L214-K242 HydrophobicContact CD1-CG 3.8Å; L214-K242 HydrophobicContact CG-CD 4.39Å; V230-K242 HydrophobicContact CG2-CG 4.4Å; V230-K242 WeakPolarHBondContact O-CE 3.38Å; V230-K242 WeakPolarHBondContact O-CG 3.49Å; V230-K242 PolarHBondContact O-NZ 3.23Å; T232-K242 WeakPolarHBondContact OG1-CD 3.45Å; T232-K242 PolarHBondContact OG1-NZ 2.87Å
243W98.6Very high97.2Very high26 Ų2644.6 Ų44.610%0.09829%0.29CS..EExtended strand (participates in β ladder)trans-143.2156169.159.9-99.2000111.6R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 3.98Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.93Å; R201-W243 HydrophobicContact CG-CG 4.21Å; C202-W243 CarbonylContact O-C 3.56Å; C202-W243 WeakPolarHBondContact O-CA 3.17Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.32Å; W203-W243 HydrophobicContact CD2-CB 3.92Å; W203-W243 HydrophobicContact CD2-CG 4.46Å; 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 4.38Å; W203-W243 AromaticContact CH2-CD1 3.52Å; W203-W243 HydrophobicContact CH2-CG 4.19Å; W203-W243 AromaticContact CH2-NE1 4Å; W203-W243 HydrophobicContact CZ2-CG 4.44Å; W203-W243 HydrophobicContact CZ3-CB 4.23Å; W203-W243 AromaticContact CZ3-CD1 3.38Å; W203-W243 HydrophobicContact CZ3-CG 4.08Å; E228-W243 HydrophobicContact CB-CZ3 4.16Å; E228-W243 HydrophobicContact CG-CH2 3.85Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 2.97Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.34Å; V230-W243 HydrophobicContact CB-CZ2 4.43Å; V230-W243 HydrophobicContact CG1-CD2 3.96Å; V230-W243 HydrophobicContact CG1-CE3 4.35Å; V230-W243 HydrophobicContact CG1-CH2 3.66Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.2Å; V230-W243 HydrophobicContact CG2-CD2 3.81Å; V230-W243 HydrophobicContact CG2-CG 3.74Å; V230-W243 HydrophobicContact CG2-CZ2 4.48Å; V230-W243 WeakPolarHBondContact CG2-O 3.45Å; V230-W243 PolarHBondContact N-O 3.32Å; W243-A245 HydrophobicContact CE3-CB 3.92Å; W243-A245 HydrophobicContact CZ3-CB 3.63Å
244A98.6Very high97.1Very high0 Ų045.2 Ų45.20%030%0.297CS..EExtended strand (participates in β ladder)trans-128.5133.2173.800000108.5R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.24Å; C202-A244 PolarHBondContact N-O 2.9Å; C202-A244 PolarHBondContact O-N 3.12Å; L214-A244 HydrophobicContact CB-CB 3.99Å; W216-A244 PolarHBondContact NE1-O 2.84Å; T227-A244 HydrophobicContact CG2-CB 3.87Å; E228-A244 CarbonylContact O-C 3.57Å; E228-A244 WeakPolarHBondContact O-CA 3.38Å; L229-A244 HydrophobicContact CD1-CB 3.6Å
245A98.5Very high97.1Very high3 Ų345.3 Ų45.33%0.02529%0.286CS..EExtended strand (participates in β ladder)trans-127.6145.4-179.900000112.2T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.89Å; L200-A245 CarbonylContact O-C 3.43Å; L200-A245 WeakPolarHBondContact O-CA 3.03Å; R201-A245 HydrophobicContact CB-CB 4.01Å; R201-A245 HydrophobicContact CG-CB 4.14Å; T227-A245 CarbonylContact C-O 3.54Å; T227-A245 WeakPolarHBondContact CA-O 3.34Å; E228-A245 HydrophobicContact CB-CB 4.46Å; E228-A245 PolarHBondContact N-O 3.3Å; E228-A245 PolarHBondContact O-N 3.13Å; W243-A245 HydrophobicContact CE3-CB 3.92Å; W243-A245 HydrophobicContact CZ3-CB 3.63Å
246V98.3Very high97.2Very high4 Ų443.3 Ų43.32%0.02427%0.268CS..EExtended strand (participates in β ladder)trans-131.1145.3172.9-72.90000109.2T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.12Å; L200-V246 HydrophobicContact CB-CG2 4.22Å; L200-V246 PolarHBondContact N-O 3.48Å; L200-V246 PolarHBondContact O-N 3.13Å; W216-V246 HydrophobicContact CB-CG1 3.67Å; W216-V246 HydrophobicContact CB-CG2 4.33Å; W216-V246 HydrophobicContact CD2-CG1 4.47Å; W216-V246 HydrophobicContact CD2-CG2 3.66Å; W216-V246 HydrophobicContact CE3-CG2 4.1Å; W216-V246 HydrophobicContact CG-CB 4.37Å; W216-V246 HydrophobicContact CG-CG1 3.67Å; W216-V246 HydrophobicContact CG-CG2 3.76Å; W216-V246 HydrophobicContact CZ2-CG2 4.42Å; Q223-V246 HydrophobicContact CB-CG1 4.37Å; T227-V246 HydrophobicContact CG2-CG1 4.49Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.23Å; V246-V248 HydrophobicContact CB-CG1 4.39Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V246-Y256 HydrophobicContact CG2-CD1 4.06Å; V246-Y256 HydrophobicContact CG2-CE1 4.49Å
247V98.1Very high97.4Very high81 Ų8140 Ų4049%0.49123%0.232SC..EExtended strand (participates in β ladder)trans-88.3127.7169.2177.70000107.2E197 A198E197-V247 HydrophobicContact CB-CG1 4.03Å; E197-V247 HydrophobicContact CG-CG1 4.23Å; A198-V247 WeakPolarHBondContact O-CA 3.47Å
248V97.6Very high97.6Very high1 Ų134.7 Ų34.71%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-126.1145.9-175-52.30000110.4E197 A198 L200 V246 E253 Y256E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.19Å; A198-V248 PolarHBondContact N-O 3.06Å; A198-V248 PolarHBondContact O-N 2.83Å; L200-V248 HydrophobicContact CD1-CG1 4.02Å; L200-V248 HydrophobicContact CD1-CG2 4.05Å; L200-V248 HydrophobicContact CG-CG1 4.18Å; L200-V248 HydrophobicContact CG-CG2 3.86Å; V246-V248 HydrophobicContact CB-CG1 4.39Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V248-E253 HydrophobicContact CG2-CG 4.05Å; V248-Y256 HydrophobicContact CB-CD2 4Å; V248-Y256 HydrophobicContact CB-CE2 3.66Å; V248-Y256 HydrophobicContact CG1-CD1 3.76Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.67Å; V248-Y256 HydrophobicContact CG1-CE2 3.52Å; V248-Y256 HydrophobicContact CG1-CG 3.71Å
249P97.4Very high97.8Very high47 Ų4734.5 Ų34.531%0.30519%0.192SC..EExtended strand (participates in β ladder)trans-62.5139.5170.2-20.332.4000111.2H196 G251 E252H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.24Å; P249-G251 PolarHBondContact O-N 3.15Å; P249-E252 HydrophobicContact CB-CB 4.33Å; P249-E252 HydrophobicContact CB-CG 4.1Å; P249-E252 HydrophobicContact CG-CG 4.49Å; P249-E252 WeakPolarHBondContact O-CB 3.5Å; P249-E252 PolarHBondContact O-N 2.92Å
250S95.1Very high97.9Very high57 Ų5734.1 Ų34.140%0.39919%0.19SC..THydrogen-bonded Turntrans-59.5129.7176-62.30000111.1H196 E197 E253H196-S250 VanDerWaalsContact C-OG 3.26Å; H196-S250 PolarHBondContact O-N 2.63Å; E197-S250 PolarHBondContact N-OG 3.33Å; S250-E253 WeakPolarHBondContact CA-OE1 3.43Å
251G95.2Very high97.9Very high68 Ų6837.7 Ų37.770%0.70121%0.207SC*.THydrogen-bonded Turntrans89.8-6.1-17600000114.8P249 E253P249-G251 PolarHBondContact O-N 3.15Å; G251-E253 WeakPolarHBondContact CA-OE2 3.48Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 3.23Å; G251-E253 PolarHBondContact N-OE2 3.26Å
252E97.4Very high97.9Very high53 Ų5336.3 Ų36.325%0.24820%0.2CC..  trans-100.85.2175.5-66.1-160.7-160.300113.8R218 P249 Q254 R255 Y256R218-E252 IonicContact CZ-OE2 3.95Å; R218-E252 IonicContact NE-OE2 3.84Å; R218-E252 IonicContact NH2-OE1 2.72Å; R218-E252 IonicContact NH2-OE2 3.74Å; R218-E252 PolarHBondContact NH2-OE2 3.48Å; P249-E252 HydrophobicContact CB-CB 4.33Å; P249-E252 HydrophobicContact CB-CG 4.1Å; P249-E252 HydrophobicContact CG-CG 4.49Å; P249-E252 WeakPolarHBondContact O-CB 3.5Å; P249-E252 PolarHBondContact O-N 2.92Å; E252-Q254 PolarHBondContact O-N 3.18Å; E252-Q254 VanDerWaalsContact O-N 3.09Å; E252-R255 VanDerWaalsContact CD-NH1 3.33Å; E252-R255 WeakPolarHBondContact O-CB 3.36Å; E252-R255 PolarHBondContact O-N 2.89Å; E252-R255 IonicContact OE1-NH1 3.68Å; E252-R255 IonicContact OE2-CZ 3.36Å; E252-R255 IonicContact OE2-NE 2.8Å; E252-R255 IonicContact OE2-NH1 3.66Å; E252-R255 PolarHBondContact OE2-NH1 2.81Å; E252-Y256 HydrophobicContact CB-CE2 4.32Å; E252-Y256 WeakPolarHBondContact O-CD2 3.49Å
253E97.3Very high97.7Very high21 Ų2141.6 Ų41.610%0.09823%0.225CC..G310 helixtrans-56.8-35.7-169.9-58.681.3-178.600112.5H190 L200 V248 S250 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 3.67Å; L200-E253 HydrophobicContact CD1-CB 4.16Å; L200-E253 HydrophobicContact CD2-CG 4.35Å; V248-E253 HydrophobicContact CG2-CG 4.05Å; S250-E253 WeakPolarHBondContact CA-OE1 3.43Å; G251-E253 WeakPolarHBondContact CA-OE2 3.48Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 3.23Å; G251-E253 PolarHBondContact N-OE2 3.26Å; E253-R255 VanDerWaalsContact C-N 3.25Å; E253-R255 PolarHBondContact O-N 3.18Å; E253-Y256 PolarHBondContact O-N 3.24Å; E253-Y256 VanDerWaalsContact O-N 3.11Å; E253-W273 HydrophobicContact CB-CE3 3.64Å; E253-W273 HydrophobicContact CB-CZ3 4.16Å; E253-W273 HydrophobicContact CG-CE3 3.75Å; E253-W273 HydrophobicContact CG-CZ3 3.92Å
254Q97.2Very high97.5Very high110 Ų11041.3 Ų41.351%0.51423%0.231SC..G310 helixtrans-71.4-16.1-178.9-64-58-45.900114.2E252 Y256 R272 W273E252-Q254 PolarHBondContact O-N 3.18Å; E252-Q254 VanDerWaalsContact O-N 3.09Å; Q254-Y256 PolarHBondContact O-N 3.44Å; Q254-R272 PolarHBondContact O-NE 3.05Å; Q254-R272 VanDerWaalsContact O-NE 3.16Å; Q254-W273 PolarHBondContact NE2-O 3.35Å
255R97.8Very high97.5Very high95 Ų9542.5 Ų42.536%0.35824%0.237SC..G310 helixtrans-74.4-17172.5-63.8175.367.6179.46.1112R218 D219 E252 E253R218-R255 WeakPolarHBondContact CA-O 3.39Å; R218-R255 HydrophobicContact CG-CB 4.42Å; D219-R255 PolarHBondContact N-O 2.83Å; D219-R255 IonicContact OD1-NE 3.85Å; D219-R255 PolarHBondContact OD1-NE 3.49Å; D219-R255 IonicContact OD2-CZ 3.58Å; D219-R255 IonicContact OD2-NE 2.74Å; D219-R255 PolarHBondContact OD2-NE 3.3Å; D219-R255 IonicContact OD2-NH2 3.53Å; D219-R255 PolarHBondContact OD2-NH2 3.08Å; E252-R255 VanDerWaalsContact CD-NH1 3.33Å; E252-R255 WeakPolarHBondContact O-CB 3.36Å; E252-R255 PolarHBondContact O-N 2.89Å; E252-R255 IonicContact OE1-NH1 3.68Å; E252-R255 IonicContact OE2-CZ 3.36Å; E252-R255 IonicContact OE2-NE 2.8Å; E252-R255 IonicContact OE2-NH1 3.66Å; E252-R255 PolarHBondContact OE2-NH1 2.81Å; E253-R255 VanDerWaalsContact C-N 3.25Å; E253-R255 PolarHBondContact O-N 3.18Å
256Y98.4Very high97.3Very high9 Ų948.8 Ų48.84%0.03528%0.278CS..EExtended strand (participates in β ladder)trans-97.5131.2-177.5-67.2-97.6000111.3Q217 R218 Q223 V246 V248 E252 E253 Q254Q217-Y256 CarbonylContact O-C 3.58Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.4Å; R218-Y256 HydrophobicContact CB-CD1 4.07Å; R218-Y256 HydrophobicContact CB-CE1 3.82Å; R218-Y256 WeakPolarHBondContact CD-OH 3.38Å; R218-Y256 HydrophobicContact CG-CD1 4.42Å; R218-Y256 HydrophobicContact CG-CE1 3.98Å; R218-Y256 HydrophobicContact CG-CE2 4.18Å; R218-Y256 PolarHBondContact NE-OH 3.08Å; Q223-Y256 HydrophobicContact CG-CE1 4.46Å; V246-Y256 HydrophobicContact CG2-CD1 4.06Å; V246-Y256 HydrophobicContact CG2-CE1 4.49Å; V248-Y256 HydrophobicContact CB-CD2 4Å; V248-Y256 HydrophobicContact CB-CE2 3.66Å; V248-Y256 HydrophobicContact CG1-CD1 3.76Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.67Å; V248-Y256 HydrophobicContact CG1-CE2 3.52Å; V248-Y256 HydrophobicContact CG1-CG 3.71Å; E252-Y256 HydrophobicContact CB-CE2 4.32Å; E252-Y256 WeakPolarHBondContact O-CD2 3.49Å; E253-Y256 PolarHBondContact O-N 3.24Å; E253-Y256 VanDerWaalsContact O-N 3.11Å; Q254-Y256 PolarHBondContact O-N 3.44Å
257T98.4Very high97.3Very high8 Ų855.2 Ų55.25%0.04931%0.307CS..EExtended strand (participates in β ladder)trans-126.9130.9176.242.70000110.6Q217 T270 L271 R272Q217-T257 PolarHBondContact N-O 2.97Å; Q217-T257 PolarHBondContact O-N 3.45Å; T257-T270 HydrophobicContact CG2-CG2 3.86Å; T257-L271 CarbonylContact C-O 3.57Å; T257-L271 VanDerWaalsContact CA-O 3.31Å; T257-L271 WeakPolarHBondContact CA-O 3.47Å; T257-R272 HydrophobicContact CG2-CG 3.61Å; T257-R272 VanDerWaalsContact CG2-NE 3.26Å
258C98.6Very high97.2Very high0 Ų054.8 Ų54.80%031%0.306CS..EExtended strand (participates in β ladder)trans-90.7124.9169.1176.10000109.8C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.51Å; C202-C258 WeakPolarHBondContact CB-SG 3.39Å; C202-C258 WeakPolarHBondContact SG-CB 3.24Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.78Å; T215-C258 CarbonylContact O-C 3.59Å; T215-C258 WeakPolarHBondContact O-CA 3.33Å; W216-C258 HydrophobicContact CD2-CB 4.13Å; W216-C258 HydrophobicContact CE3-CB 4.07Å; W216-C258 HydrophobicContact CH2-CB 4Å; W216-C258 HydrophobicContact CZ2-CB 4.06Å; W216-C258 HydrophobicContact CZ3-CB 4Å; C258-T270 CarbonylContact O-C 3.53Å; C258-T270 WeakPolarHBondContact O-CA 3.35Å; C258-L271 HydrophobicContact CB-CB 4.29Å; C258-L271 PolarHBondContact N-O 3.3Å; C258-L271 PolarHBondContact O-N 3.41Å
259L98.4Very high97.2Very high39 Ų3957.4 Ų57.420%0.20432%0.32CS..EExtended strand (participates in β ladder)trans-98.3132.1171.9-65.7178.5000110.2L214 T215 Q217 L269 T270L214-L259 WeakPolarHBondContact CA-O 3.42Å; T215-L259 PolarHBondContact N-O 2.94Å; T215-L259 PolarHBondContact O-N 2.96Å; Q217-L259 HydrophobicContact CG-CD1 4.15Å; Q217-L259 VanDerWaalsContact NE2-CD1 3.34Å; L259-L269 WeakPolarHBondContact CA-O 3.47Å; L259-T270 HydrophobicContact CD2-CG2 4.05Å; L259-T270 VanDerWaalsContact CD2-OG1 3.26Å; L259-T270 WeakPolarHBondContact CD2-OG1 3.42Å
260V98.6Very high97.3Very high0 Ų059.4 Ų59.40%033%0.331CS..EExtended strand (participates in β ladder)trans-124122.4178.3-1680000109.8P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.95Å; T186-V260 HydrophobicContact CG2-CB 4.39Å; T186-V260 HydrophobicContact CG2-CG1 4.06Å; T186-V260 HydrophobicContact CG2-CG2 3.98Å; I212-V260 HydrophobicContact CD1-CG1 4Å; I212-V260 HydrophobicContact CG1-CG1 4.3Å; T213-V260 WeakPolarHBondContact O-CA 3.46Å; L214-V260 HydrophobicContact CD2-CB 4.11Å; L214-V260 HydrophobicContact CD2-CG1 3.78Å; L214-V260 HydrophobicContact CD2-CG2 3.58Å; V260-L265 HydrophobicContact CG1-CD1 4.38Å; V260-P268 WeakPolarHBondContact O-CA 3.35Å; V260-L269 HydrophobicContact CB-CB 4.27Å; V260-L269 PolarHBondContact N-O 3.32Å; V260-L269 PolarHBondContact O-N 3.44Å; V260-L271 HydrophobicContact CG2-CD1 3.6Å
261Q98.4Very high97.4Very high102 Ų10258.3 Ų58.348%0.47732%0.321SS..EExtended strand (participates in β ladder)trans-119.5128.8174.6-58.7176.2-37.900109.7I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.45Å; T213-Q261 PolarHBondContact N-O 3.47Å; T213-Q261 PolarHBondContact O-N 2.91Å; Q261-P268 HydrophobicContact CG-CB 4.01Å; Q261-P268 HydrophobicContact CG-CG 4.11Å
262H98.3Very high97.5Very high15 Ų1561.7 Ų61.77%0.06931%0.313CS..  trans-153.6146.7179.3-175.3-95.3000108.9E182 P184 F207 Y208 P209 E211 I212 G264 L265E182-H262 PolarHBondContact O-CE1 2.85Å; P184-H262 HydrophobicContact CG-CB 4.03Å; F207-H262 AromaticContact CD2-CD2 3.89Å; F207-H262 AromaticContact CD2-NE2 3.83Å; Y208-H262 PolarHBondContact O-CE1 3.01Å; P209-H262 PolarHBondContact O-NE2 3.36Å; E211-H262 PolarHBondContact O-CD2 3.15Å; I212-H262 HydrophobicContact CD1-CB 4.46Å; I212-H262 HydrophobicContact CG1-CB 4.21Å; H262-G264 PolarHBondContact ND1-N 3.05Å; H262-G264 PolarHBondContact O-N 3.48Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.2Å; H262-L265 WeakPolarHBondContact O-CB 3.34Å; H262-L265 PolarHBondContact O-N 3.08Å
263E95.8Very high97.3Very high134 Ų13466 Ų6663%0.62633%0.327SS*.THydrogen-bonded Turntrans-65.6-21.8-177.464159.2-154.400114.2A181 P209 L265A181-E263 HydrophobicContact CB-CG 4.12Å; P209-E263 VanDerWaalsContact CD-CD 3.44Å; P209-E263 WeakPolarHBondContact CD-OE1 3.34Å; P209-E263 VanDerWaalsContact CG-CD 3.48Å; P209-E263 HydrophobicContact CG-CG 3.83Å; P209-E263 WeakPolarHBondContact CG-OE1 3.18Å; E263-L265 PolarHBondContact O-N 2.94Å
264G94.9Very high97.3Very high21 Ų2168.3 Ų68.322%0.21634%0.338CS..THydrogen-bonded Turntrans-78-7.2174.700000113.7H262H262-G264 PolarHBondContact ND1-N 3.05Å; H262-G264 PolarHBondContact O-N 3.48Å
265L97.1Very high97.3Very high25 Ų2566.1 Ų66.113%0.13133%0.329CS..  trans-96.1132.2175.9-65.9169.8000110.3H183 P184 V260 H262 E263 E267 L269H183-L265 HydrophobicContact CB-CD2 3.94Å; H183-L265 HydrophobicContact CB-CG 4.46Å; P184-L265 HydrophobicContact CG-CD1 3.91Å; P184-L265 HydrophobicContact CG-CG 4.3Å; V260-L265 HydrophobicContact CG1-CD1 4.38Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.2Å; H262-L265 WeakPolarHBondContact O-CB 3.34Å; H262-L265 PolarHBondContact O-N 3.08Å; E263-L265 PolarHBondContact O-N 2.94Å; L265-E267 WeakPolarHBondContact CB-O 3.48Å; L265-E267 PolarHBondContact O-N 3.33Å; L265-L269 HydrophobicContact CD1-CD1 4.04Å; L265-L269 HydrophobicContact CD1-CG 3.91Å; L265-L269 HydrophobicContact CD2-CD1 3.78Å; L265-L269 HydrophobicContact CD2-CD2 4.45Å; L265-L269 HydrophobicContact CD2-CG 3.98Å
266P95.9Very high97.3Very high135 Ų13564.5 Ų64.588%0.87733%0.327SS*.SBendtrans-67.7-28.8175.228.1-34000112.3
267E96.6Very high97.2Very high138 Ų13867.8 Ų67.865%0.64534%0.344SS*.SBendtrans-146.1153.8175.663.1-173.7172.400110.2L265L265-E267 WeakPolarHBondContact CB-O 3.48Å; L265-E267 PolarHBondContact O-N 3.33Å
268P97.5Very high97.2Very high73 Ų7371.5 Ų71.547%0.47436%0.363SS..  trans-57.4138.8175.6-24.635000112.3V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.35Å; Q261-P268 HydrophobicContact CG-CB 4.01Å; Q261-P268 HydrophobicContact CG-CG 4.11Å
269L98Very high97.1Very high56 Ų5676.3 Ų76.329%0.29339%0.387SS..EExtended strand (participates in β ladder)trans-87.5139.5174.5-61.6177.8000110.4T186 L259 V260 L265T186-L269 HydrophobicContact CG2-CD1 4.36Å; L259-L269 WeakPolarHBondContact CA-O 3.47Å; V260-L269 HydrophobicContact CB-CB 4.27Å; V260-L269 PolarHBondContact N-O 3.32Å; V260-L269 PolarHBondContact O-N 3.44Å; L265-L269 HydrophobicContact CD1-CD1 4.04Å; L265-L269 HydrophobicContact CD1-CG 3.91Å; L265-L269 HydrophobicContact CD2-CD1 3.78Å; L265-L269 HydrophobicContact CD2-CD2 4.45Å; L265-L269 HydrophobicContact CD2-CG 3.98Å
270T98Very high97Very high89 Ų8978.9 Ų78.955%0.54640%0.4SS..EExtended strand (participates in β ladder)trans-115.5120.1170.5-55.20000109T257 C258 L259T257-T270 HydrophobicContact CG2-CG2 3.86Å; C258-T270 CarbonylContact O-C 3.53Å; C258-T270 WeakPolarHBondContact O-CA 3.35Å; L259-T270 HydrophobicContact CD2-CG2 4.05Å; L259-T270 VanDerWaalsContact CD2-OG1 3.26Å; L259-T270 WeakPolarHBondContact CD2-OG1 3.42Å
271L97.9Very high96.9Very high34 Ų3485 Ų8518%0.17843%0.431CS..EExtended strand (participates in β ladder)trans-118.7144-175.8-59.4144.3000110.2T186 V188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.26Å; V188-L271 HydrophobicContact CG2-CB 3.88Å; T257-L271 CarbonylContact C-O 3.57Å; T257-L271 VanDerWaalsContact CA-O 3.31Å; T257-L271 WeakPolarHBondContact CA-O 3.47Å; C258-L271 HydrophobicContact CB-CB 4.29Å; C258-L271 PolarHBondContact N-O 3.3Å; C258-L271 PolarHBondContact O-N 3.41Å; V260-L271 HydrophobicContact CG2-CD1 3.6Å
272R96.9Very high96.7Very high139 Ų13983.6 Ų83.653%0.52543%0.427SS..  trans-124165.6166.2-66.4-170.9171.895.23.5108.7Q254 T257Q254-R272 PolarHBondContact O-NE 3.05Å; Q254-R272 VanDerWaalsContact O-NE 3.16Å; T257-R272 HydrophobicContact CG2-CG 3.61Å; T257-R272 VanDerWaalsContact CG2-NE 3.26Å
273W94.1Very high96.6Very high144 Ų14489.8 Ų89.855%0.54546%0.46SS..  trans-72.40167.1175.355.8000111V188 H190 L200 E253 Q254V188-W273 HydrophobicContact CG1-CB 3.9Å; H190-W273 HydrophobicContact CB-CD2 3.9Å; H190-W273 VanDerWaalsContact CB-CE2 3.49Å; H190-W273 HydrophobicContact CB-CG 3.98Å; H190-W273 HydrophobicContact CB-CZ2 4.03Å; H190-W273 VanDerWaalsContact CB-NE1 3.33Å; H190-W273 AromaticContact CG-CE2 3.75Å; H190-W273 AromaticContact CG-CZ2 3.84Å; H190-W273 AromaticContact ND1-CZ2 3.88Å; L200-W273 HydrophobicContact CD2-CB 3.89Å; L200-W273 HydrophobicContact CD2-CG 4.14Å; E253-W273 HydrophobicContact CB-CE3 3.64Å; E253-W273 HydrophobicContact CB-CZ3 4.16Å; E253-W273 HydrophobicContact CG-CE3 3.75Å; E253-W273 HydrophobicContact CG-CZ3 3.92Å; Q254-W273 PolarHBondContact NE2-O 3.35Å

Retrieved 273 of 273 residues in 173.4 ms (Link to these results)

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