X4Z1S5_HUMAN Loading...

MHC class I antigen

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

AlphaFold DB , UniProt , Accession X4Z1S5, 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 high98.1Very high95 Ų9538 Ų3866%0.66421%0.205SC*.  0157.90-59.50000107.9L102S1-L102 VanDerWaalsContact CA-O 3.3Å; S1-L102 WeakPolarHBondContact CA-O 3.36Å; S1-L102 VanDerWaalsContact CB-O 3.26Å; S1-L102 WeakPolarHBondContact CB-O 3.47Å
2H97.6Very high98.1Very high45 Ų4536.3 Ų36.321%0.20820%0.198CC..EExtended strand (participates in β ladder)trans-141.7156.5-179.8-66.8-76.6000110.6D28 D101 L102 L167 L171 L178H2-D28 WeakPolarHBondContact CA-OD1 3.36Å; H2-D28 IonicContact CE1-OD2 2.67Å; H2-D28 IonicContact CG-OD2 2.73Å; H2-D28 IonicContact ND1-OD1 2.86Å; H2-D28 IonicContact ND1-OD2 3.32Å; H2-D28 PolarHBondContact ND1-OD2 3.33Å; H2-D101 CarbonylContact O-C 3.55Å; H2-D101 WeakPolarHBondContact O-CA 3.29Å; H2-L102 PolarHBondContact N-O 2.9Å; H2-L102 VanDerWaalsContact N-O 3.12Å; H2-L102 PolarHBondContact O-N 2.95Å; H2-L167 HydrophobicContact CB-CD1 4.42Å; H2-L171 HydrophobicContact CB-CD1 3.75Å; H2-L171 HydrophobicContact CB-CD2 3.98Å; H2-L171 HydrophobicContact CB-CG 4.43Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.49Å; H2-L178 PolarHBondContact CE1-O 3.43Å
3S98.4Very high98Very high24 Ų2439.1 Ų39.117%0.16820%0.204CC..EExtended strand (participates in β ladder)trans-130.4151.7178.167.50000111.7V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.53Å; S3-V27 VanDerWaalsContact O-CA 3.29Å; S3-V27 WeakPolarHBondContact O-CA 3.31Å; S3-D28 PolarHBondContact N-OD1 3.16Å; S3-D28 PolarHBondContact O-N 3.17Å; S3-C100 WeakPolarHBondContact CA-O 3.4Å; S3-D101 WeakPolarHBondContact CB-OD1 3.49Å
4M98.8Very high97.7Very high1 Ų140.4 Ų40.41%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-126.3123.1166.2-176.4172.562.200108Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.32Å; M4-Y6 HydrophobicContact CG-CE2 4.28Å; M4-Y6 HydrophobicContact SD-CE2 4.2Å; M4-Y26 VanDerWaalsContact CA-O 3.31Å; M4-Y26 WeakPolarHBondContact CA-O 3.4Å; M4-V27 HydrophobicContact CG-CG2 4.35Å; M4-F32 HydrophobicContact CG-CE1 4.42Å; M4-F32 HydrophobicContact SD-CZ 4.43Å; M4-G99 CarbonylContact O-C 3.59Å; M4-G99 WeakPolarHBondContact O-CA 3.2Å; M4-C100 PolarHBondContact N-O 3.17Å; M4-C100 PolarHBondContact O-N 3.2Å; M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 WeakPolarHBondContact CE-O 3.44Å; M4-C163 WeakPolarHBondContact CE-SG 2.97Å; M4-W166 HydrophobicContact CE-CB 4.12Å; M4-W166 HydrophobicContact SD-CB 4.44Å; M4-L167 HydrophobicContact CB-CB 4.02Å; M4-L167 HydrophobicContact CB-CD1 4.04Å; M4-L167 HydrophobicContact CB-CD2 3.94Å; M4-L167 HydrophobicContact CB-CG 4.21Å; M4-L167 HydrophobicContact CE-CB 4.3Å; M4-L167 HydrophobicContact SD-CB 4.41Å; M4-Y170 HydrophobicContact SD-CD2 3.77Å; M4-Y170 HydrophobicContact SD-CE2 3.59Å; M4-Y170 VanDerWaalsContact SD-CE2 3.59Å
5R98.7Very high97.4Very high46 Ų4643.8 Ų43.817%0.17426%0.264CS..EExtended strand (participates in β ladder)trans-129.8137.5-177.1-57.2-61.2-178.580.84.7110.6F7 G25 Y26 C98 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.38Å; R5-F7 HydrophobicContact CB-CE2 3.59Å; R5-F7 HydrophobicContact CB-CZ 3.84Å; R5-F7 HydrophobicContact CG-CZ 4.44Å; R5-G25 CarbonylContact O-C 3.6Å; R5-G25 WeakPolarHBondContact O-CA 3.48Å; R5-Y26 PolarHBondContact N-O 2.88Å; R5-Y26 PolarHBondContact O-N 3.16Å; R5-C98 WeakPolarHBondContact CA-O 2.83Å; R5-D101 IonicContact CZ-OD1 3.97Å; R5-D101 IonicContact NE-OD1 2.69Å; R5-D101 PolarHBondContact NE-OD1 3.07Å; R5-D101 IonicContact NH2-OD1 3.7Å; R5-D101 PolarHBondContact NH2-OD1 3.35Å; R5-D101 IonicContact NH2-OD2 2.75Å; R5-D101 PolarHBondContact NH2-OD2 2.91Å; R5-D101 VanDerWaalsContact NH2-OD2 3.16Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.29Å; R5-Y112 PolarHBondContact NH2-OH 2.91Å
6Y98.8Very high97.2Very high9 Ų954 Ų544%0.03530%0.297CS..EExtended strand (participates in β ladder)trans-109.7135.5165.6-68.4-90.6000109.1M4 Y8 V24 F32 V33 Y66 M97 C98M4-Y6 HydrophobicContact CE-CE2 4.32Å; M4-Y6 HydrophobicContact CG-CE2 4.28Å; M4-Y6 HydrophobicContact SD-CE2 4.2Å; Y6-Y8 WeakPolarHBondContact CB-OH 3.11Å; Y6-Y8 HydrophobicContact CD1-CE1 4.32Å; Y6-Y8 HydrophobicContact CG-CE1 4.4Å; Y6-V24 CarbonylContact C-O 3.57Å; Y6-V24 WeakPolarHBondContact CA-O 3.47Å; Y6-F32 AromaticContact CE1-CZ 3.99Å; Y6-F32 HydrophobicContact CE1-CZ 3.99Å; Y6-F32 AromaticContact CZ-CZ 3.79Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.22Å; Y6-V33 HydrophobicContact CE1-CG1 3.98Å; Y6-Y66 WeakPolarHBondContact CE1-OH 3.4Å; Y6-M97 WeakPolarHBondContact O-CA 3.31Å; Y6-C98 PolarHBondContact N-O 2.99Å; Y6-C98 PolarHBondContact O-N 3.3Å
7F98.9Very high96.9Very high85 Ų8554.1 Ų54.137%0.37331%0.313SS..EExtended strand (participates in β ladder)trans-118.6123.2175.6-56.9-93.1000108.6R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.38Å; R5-F7 HydrophobicContact CB-CE2 3.59Å; R5-F7 HydrophobicContact CB-CZ 3.84Å; R5-F7 HydrophobicContact CG-CZ 4.44Å; F7-A23 WeakPolarHBondContact O-CA 3.47Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.27Å; F7-V24 PolarHBondContact N-O 3.33Å; F7-V24 PolarHBondContact O-N 2.99Å; F7-Y26 HydrophobicContact CD2-CD2 4.03Å; F7-Y26 HydrophobicContact CE2-CD2 4.01Å; F7-R96 WeakPolarHBondContact CA-O 3.41Å; F7-M97 HydrophobicContact CD1-CB 4.05Å; F7-M97 HydrophobicContact CD1-CG 3.72Å; F7-M97 HydrophobicContact CE1-CB 4.19Å; F7-M97 HydrophobicContact CE1-CG 3.45Å; F7-M97 VanDerWaalsContact CE1-CG 3.45Å; F7-M97 HydrophobicContact CZ-CG 4.12Å
8Y98.8Very high96.8Very high28 Ų2856.1 Ų56.111%0.1132%0.319CS..EExtended strand (participates in β ladder)trans-113.3139.4177.5-52-36.7000109.4Y6 F21 I22 A23 Y66 Q69 Q95 R96Y6-Y8 WeakPolarHBondContact CB-OH 3.11Å; Y6-Y8 HydrophobicContact CD1-CE1 4.32Å; Y6-Y8 HydrophobicContact CG-CE1 4.4Å; Y8-F21 HydrophobicContact CD1-CZ 4.12Å; Y8-F21 HydrophobicContact CG-CE2 4.35Å; Y8-F21 HydrophobicContact CG-CZ 4.2Å; Y8-I22 WeakPolarHBondContact CA-O 3.45Å; Y8-A23 HydrophobicContact CD1-CB 3.4Å; Y8-A23 HydrophobicContact CE1-CB 3.67Å; Y8-Y66 HydrophobicContact CE1-CD1 4.39Å; Y8-Y66 HydrophobicContact CE1-CE1 4.07Å; Y8-Q69 HydrophobicContact CD2-CG 4.07Å; Y8-Q69 HydrophobicContact CE2-CG 4.35Å; Y8-Q69 HydrophobicContact CG-CG 4.5Å; Y8-Q95 VanDerWaalsContact O-CA 3.29Å; Y8-Q95 WeakPolarHBondContact O-CA 3.42Å; Y8-R96 HydrophobicContact CD2-CB 4.18Å; Y8-R96 HydrophobicContact CD2-CG 4.25Å; Y8-R96 PolarHBondContact N-O 3.47Å; Y8-R96 PolarHBondContact O-N 3.48Å
9T98.8Very high96.8Very high42 Ų4254.5 Ų54.526%0.25831%0.311SS..EExtended strand (participates in β ladder)trans-136.8124.4174.8-59.40000108.8V11 F21 I22 I93 I94 Q95T9-V11 HydrophobicContact CG2-CG2 3.98Å; T9-F21 WeakPolarHBondContact O-CA 3.46Å; T9-I22 PolarHBondContact N-O 2.82Å; T9-I22 PolarHBondContact O-N 2.98Å; T9-I93 HydrophobicContact CG2-CG2 3.94Å; T9-I94 WeakPolarHBondContact CA-O 3.39Å; T9-Q95 HydrophobicContact CG2-CG 4.26Å
10A98.6Very high96.9Very high1 Ų153.9 Ų53.91%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-119.8119175.200000109.7H20 F21 D73 L77 I93 I94A10-H20 CarbonylContact C-O 3.56Å; A10-H20 VanDerWaalsContact CA-O 3.31Å; A10-H20 WeakPolarHBondContact CA-O 3.14Å; A10-F21 HydrophobicContact CB-CD2 4.27Å; A10-D73 HydrophobicContact CB-CB 3.6Å; A10-L77 HydrophobicContact CB-CD1 4.06Å; A10-I93 WeakPolarHBondContact O-CA 3.24Å; A10-I94 PolarHBondContact N-O 2.96Å; A10-I94 PolarHBondContact O-N 2.71Å
11V98.6Very high97Very high42 Ų4251.5 Ų51.526%0.25529%0.291SS..EExtended strand (participates in β ladder)trans-113.5112.9-177.6-176.10000109.4T9 P19 H20 I93T9-V11 HydrophobicContact CG2-CG2 3.98Å; V11-P19 CarbonylContact O-C 3.55Å; V11-P19 WeakPolarHBondContact O-CA 3.48Å; V11-H20 PolarHBondContact N-O 3.49Å; V11-H20 PolarHBondContact O-N 2.93Å; V11-I93 HydrophobicContact CB-CG1 4.49Å; V11-I93 HydrophobicContact CG1-CG1 4.15Å; V11-I93 HydrophobicContact CG2-CD1 4.28Å; V11-I93 HydrophobicContact CG2-CG1 4.08Å; V11-I93 HydrophobicContact CG2-CG2 4.24Å
12S98.1Very high97.2Very high17 Ų1749.5 Ų49.512%0.11927%0.273CS..  trans-70.5141.2171.555.50000111.1S91 H92S12-S91 WeakPolarHBondContact O-CB 3.45Å; S12-S91 PolarHBondContact O-OG 3.31Å; S12-H92 PolarHBondContact N-O 3.14Å; S12-H92 WeakPolarHBondContact OG-CA 3.35Å; S12-H92 PolarHBondContact OG-N 2.81Å; S12-H92 PolarHBondContact OG-O 2.8Å
13R96.5Very high97.3Very high73 Ų7347.3 Ų47.328%0.27526%0.263SS..  trans-136.673.8-177.352.1173.6175.8-162.4-18.6111.2G15 R16 E18 D38R13-G15 PolarHBondContact O-N 3.28Å; R13-R16 HydrophobicContact CB-CB 4.12Å; R13-R16 WeakPolarHBondContact CD-O 3.38Å; R13-R16 HydrophobicContact CG-CB 4.15Å; R13-R16 PolarHBondContact NE-O 2.92Å; R13-R16 PolarHBondContact O-N 3.08Å; R13-E18 PolarHBondContact NE-O 2.98Å; R13-E18 PolarHBondContact NH2-O 3.47Å; R13-E18 VanDerWaalsContact NH2-O 3.09Å; R13-D38 IonicContact CZ-OD1 2.65Å; R13-D38 IonicContact CZ-OD2 2.75Å; R13-D38 IonicContact NH1-OD1 2.99Å; R13-D38 IonicContact NH1-OD2 3.61Å; R13-D38 PolarHBondContact NH1-OD2 3.31Å; R13-D38 IonicContact NH2-OD1 3.96Å; R13-D38 PolarHBondContact NH2-OD1 3.08Å; R13-D38 IonicContact NH2-OD2 3.42Å; R13-D38 PolarHBondContact NH2-OD2 2.83Å
14P93.4Very high97.3Very high58 Ų5847.6 Ų47.638%0.37726%0.263SS..THydrogen-bonded Turntrans-49.7131.8-177.2-26.534.4000112.4R16 E88 G90P14-R16 PolarHBondContact O-N 3.07Å; P14-E88 WeakPolarHBondContact CB-O 3.41Å; P14-E88 WeakPolarHBondContact CG-O 3.18Å; P14-G90 WeakPolarHBondContact CG-O 3.36Å
15G92.8Very high97.3Very high91 Ų9147.5 Ų47.594%0.93826%0.263SS*.THydrogen-bonded Turntrans76.2-0.3-177.200000115.8R13R13-G15 PolarHBondContact O-N 3.28Å
16R94.4Very high97.3Very high207 Ų20748.6 Ų48.678%0.78127%0.267SS*.SBendtrans-123.523.4179.4-59.8-174.7179.1-174.60113.5R13 P14R13-R16 HydrophobicContact CB-CB 4.12Å; R13-R16 WeakPolarHBondContact CD-O 3.38Å; R13-R16 HydrophobicContact CG-CB 4.15Å; R13-R16 PolarHBondContact NE-O 2.92Å; R13-R16 PolarHBondContact O-N 3.08Å; P14-R16 PolarHBondContact O-N 3.07Å
17G92.7Very high97.3Very high55 Ų5548.1 Ų48.157%0.56727%0.266SS*.SBendtrans97.6-159.8178.200000113.6
18E94.6Very high97.2Very high90 Ų9045.5 Ų45.542%0.42126%0.255SS..SBendtrans-72.9157.9-178.8-66.1-56.4159.700112.5R13 H20 R74R13-E18 PolarHBondContact NE-O 2.98Å; R13-E18 PolarHBondContact NH2-O 3.47Å; R13-E18 VanDerWaalsContact NH2-O 3.09Å; E18-H20 PolarHBondContact O-N 3.23Å; E18-R74 VanDerWaalsContact CD-NE 3.3Å; E18-R74 IonicContact OE1-CZ 3.8Å; E18-R74 VanDerWaalsContact OE1-CZ 3.29Å; E18-R74 IonicContact OE1-NE 2.85Å; E18-R74 IonicContact OE1-NH2 3.93Å; E18-R74 PolarHBondContact OE1-NH2 2.78Å; E18-R74 WeakPolarHBondContact OE2-CD 3.35Å; E18-R74 IonicContact OE2-CZ 3.74Å; E18-R74 IonicContact OE2-NE 3.83Å; E18-R74 PolarHBondContact OE2-NE 3.43Å; E18-R74 IonicContact OE2-NH2 3.98Å; E18-R74 PolarHBondContact OE2-NH2 3.48Å
19P97.1Very high97.2Very high26 Ų2647.2 Ų47.217%0.16927%0.266CS..PPolyproline II helixtrans-51.6134.2174.9-26.535.3000112.3V11 R74 L77V11-P19 CarbonylContact O-C 3.55Å; V11-P19 WeakPolarHBondContact O-CA 3.48Å; P19-R74 HydrophobicContact CG-CB 4.36Å; P19-R74 HydrophobicContact CG-CG 4.19Å; P19-L77 HydrophobicContact CB-CD1 3.61Å; P19-L77 HydrophobicContact CG-CD1 3.69Å
20H98.4Very high97.1Very high43 Ų4346.8 Ų46.820%0.19926%0.264CS..EExtended strand (participates in β ladder)trans-77.4124.6174.3180-157.6000108.8A10 V11 E18 D36 S37 D38A10-H20 CarbonylContact C-O 3.56Å; A10-H20 VanDerWaalsContact CA-O 3.31Å; A10-H20 WeakPolarHBondContact CA-O 3.14Å; V11-H20 PolarHBondContact N-O 3.49Å; V11-H20 PolarHBondContact O-N 2.93Å; E18-H20 PolarHBondContact O-N 3.23Å; H20-D36 IonicContact CD2-OD1 3.76Å; H20-D36 IonicContact CE1-OD1 3.5Å; H20-D36 IonicContact NE2-OD1 2.62Å; H20-D36 PolarHBondContact NE2-OD1 2.92Å; H20-D36 IonicContact NE2-OD2 3.12Å; H20-S37 PolarHBondContact CD2-OG 3.14Å; H20-D38 IonicContact CD2-OD1 3.66Å; H20-D38 PolarHBondContact CD2-OD1 2.78Å; H20-D38 IonicContact CD2-OD2 3.29Å; H20-D38 IonicContact CG-OD1 3.36Å; H20-D38 IonicContact CG-OD2 3.32Å; H20-D38 IonicContact NE2-OD2 2.7Å
21F98.8Very high97.1Very high3 Ų349.3 Ų49.31%0.01328%0.275CS..EExtended strand (participates in β ladder)trans-115127.4-179.8175.4-92.1000110.8Y8 T9 A10 A23 F35 S37 Q69 A70 D73Y8-F21 HydrophobicContact CD1-CZ 4.12Å; Y8-F21 HydrophobicContact CG-CE2 4.35Å; Y8-F21 HydrophobicContact CG-CZ 4.2Å; T9-F21 WeakPolarHBondContact O-CA 3.46Å; A10-F21 HydrophobicContact CB-CD2 4.27Å; F21-A23 HydrophobicContact CE1-CB 3.81Å; F21-A23 HydrophobicContact CZ-CB 3.95Å; F21-F35 AromaticContact CD1-CD1 3.7Å; F21-F35 HydrophobicContact CD1-CD1 3.7Å; F21-F35 AromaticContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CD1-CE1 3.77Å; F21-F35 AromaticContact CE1-CD1 3.83Å; F21-F35 HydrophobicContact CE1-CD1 3.83Å; F21-F35 HydrophobicContact CE1-CE1 4.19Å; F21-S37 PolarHBondContact N-OG 2.65Å; F21-S37 PolarHBondContact O-N 2.84Å; F21-S37 PolarHBondContact O-OG 3Å; F21-Q69 HydrophobicContact CE2-CB 4.27Å; F21-Q69 HydrophobicContact CE2-CG 3.76Å; F21-Q69 HydrophobicContact CZ-CB 3.93Å; F21-Q69 HydrophobicContact CZ-CG 3.76Å; F21-A70 HydrophobicContact CB-CB 3.75Å; F21-A70 HydrophobicContact CD1-CB 3.77Å; F21-A70 HydrophobicContact CD2-CB 4.15Å; F21-A70 HydrophobicContact CE1-CB 4.41Å; F21-A70 HydrophobicContact CG-CB 3.61Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.37Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.49Å
22I98.8Very high97.1Very high53 Ų5347.3 Ų47.327%0.27226%0.263SS..EExtended strand (participates in β ladder)trans-123.7135.4175-56.2177.3000108.4Y8 T9 V24 F35Y8-I22 WeakPolarHBondContact CA-O 3.45Å; T9-I22 PolarHBondContact N-O 2.82Å; T9-I22 PolarHBondContact O-N 2.98Å; I22-V24 HydrophobicContact CG2-CG1 4.39Å; I22-F35 WeakPolarHBondContact CA-O 3.28Å
23A98.8Very high97.2Very high0 Ų046.5 Ų46.50%026%0.257CS..EExtended strand (participates in β ladder)trans-125.9137.8169.500000110.4F7 Y8 F21 R34 F35 Y66F7-A23 WeakPolarHBondContact O-CA 3.47Å; Y8-A23 HydrophobicContact CD1-CB 3.4Å; Y8-A23 HydrophobicContact CE1-CB 3.67Å; F21-A23 HydrophobicContact CE1-CB 3.81Å; F21-A23 HydrophobicContact CZ-CB 3.95Å; A23-R34 CarbonylContact O-C 3.53Å; A23-R34 VanDerWaalsContact O-CA 3.31Å; A23-R34 WeakPolarHBondContact O-CA 3.34Å; A23-F35 HydrophobicContact CB-CB 4.21Å; A23-F35 PolarHBondContact N-O 2.66Å; A23-F35 PolarHBondContact O-N 2.94Å; A23-Y66 HydrophobicContact CB-CD1 3.58Å; A23-Y66 HydrophobicContact CB-CE1 3.63Å; A23-Y66 HydrophobicContact CB-CG 4.41Å
24V98.9Very high97.3Very high29 Ų2947.2 Ų47.218%0.17626%0.26CS..EExtended strand (participates in β ladder)trans-133.1143.9171.9-63.10000109.9Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 CarbonylContact C-O 3.57Å; Y6-V24 WeakPolarHBondContact CA-O 3.47Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.27Å; F7-V24 PolarHBondContact N-O 3.33Å; F7-V24 PolarHBondContact O-N 2.99Å; I22-V24 HydrophobicContact CG2-CG1 4.39Å; V24-Y26 HydrophobicContact CB-CE2 4.13Å; V24-Y26 HydrophobicContact CG2-CD2 4.34Å; V24-Y26 HydrophobicContact CG2-CE2 3.82Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.28Å; V24-V33 WeakPolarHBondContact CA-O 3.18Å; V24-R34 HydrophobicContact CG1-CB 4.49Å; V24-R34 HydrophobicContact CG1-CG 4.29Å
25G98.7Very high97.5Very high0 Ų044.6 Ų44.60%024%0.243CC..EExtended strand (participates in β ladder)trans-121.2139.5176.300000111R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.6Å; R5-G25 WeakPolarHBondContact O-CA 3.48Å; G25-Q31 WeakPolarHBondContact O-CA 3.41Å; G25-F32 WeakPolarHBondContact O-CD1 3.43Å; G25-F32 PolarHBondContact O-N 2.99Å; G25-V33 PolarHBondContact N-O 2.99Å; G25-V33 PolarHBondContact O-N 2.83Å
26Y98.8Very high97.8Very high68 Ų6841.6 Ų41.627%0.26721%0.205SC..EExtended strand (participates in β ladder)trans-125.5143.4-179.7-77.1-101.4000110.7M4 R5 F7 V24 T30 Q31M4-Y26 VanDerWaalsContact CA-O 3.31Å; M4-Y26 WeakPolarHBondContact CA-O 3.4Å; R5-Y26 PolarHBondContact N-O 2.88Å; R5-Y26 PolarHBondContact O-N 3.16Å; F7-Y26 HydrophobicContact CD2-CD2 4.03Å; F7-Y26 HydrophobicContact CE2-CD2 4.01Å; V24-Y26 HydrophobicContact CB-CE2 4.13Å; V24-Y26 HydrophobicContact CG2-CD2 4.34Å; V24-Y26 HydrophobicContact CG2-CE2 3.82Å; Y26-T30 WeakPolarHBondContact CA-O 3.42Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; Y26-Q31 HydrophobicContact CD1-CB 4.05Å; Y26-Q31 VanDerWaalsContact CD1-N 3.32Å; Y26-Q31 HydrophobicContact CD2-CG 4.4Å; Y26-Q31 HydrophobicContact CE1-CB 3.54Å; Y26-Q31 HydrophobicContact CE1-CG 4.28Å; Y26-Q31 HydrophobicContact CE2-CB 4.09Å; Y26-Q31 HydrophobicContact CE2-CG 3.9Å
27V98.6Very high98Very high0 Ų033.4 Ų33.40%018%0.18CC..EExtended strand (participates in β ladder)trans-111.8118.4156.5177.30000106.2S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.53Å; S3-V27 VanDerWaalsContact O-CA 3.29Å; S3-V27 WeakPolarHBondContact O-CA 3.31Å; M4-V27 HydrophobicContact CG-CG2 4.35Å; V27-D29 PolarHBondContact O-N 3.12Å; V27-T30 PolarHBondContact N-O 2.87Å; V27-T30 WeakPolarHBondContact O-CB 3.34Å; V27-T30 PolarHBondContact O-N 2.83Å; V27-F32 HydrophobicContact CG2-CD1 4.04Å; 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 3.87Å; V27-W50 HydrophobicContact CG2-CZ2 4.34Å; V27-L167 HydrophobicContact CG1-CD1 3.57Å; V27-L167 HydrophobicContact CG2-CD1 4.22Å; V27-Y170 HydrophobicContact CG2-CD2 3.91Å; V27-Y170 HydrophobicContact CG2-CG 4.45Å; V27-L171 HydrophobicContact CG1-CD2 4.11Å; V27-L178 HydrophobicContact CB-CD1 4.26Å; V27-L178 HydrophobicContact CB-CD2 4.11Å; V27-L178 HydrophobicContact CG1-CD1 3.89Å; V27-L178 HydrophobicContact CG1-CD2 4.05Å; V27-L178 HydrophobicContact CG1-CG 4.48Å
28D97.8Very high98.2Very high30 Ų3034.3 Ų34.316%0.1617%0.172CC..THydrogen-bonded Turntrans49-126-166.2-51.7-42.3000110.5H2 S3 T30H2-D28 WeakPolarHBondContact CA-OD1 3.36Å; H2-D28 IonicContact CE1-OD2 2.67Å; H2-D28 IonicContact CG-OD2 2.73Å; H2-D28 IonicContact ND1-OD1 2.86Å; H2-D28 IonicContact ND1-OD2 3.32Å; H2-D28 PolarHBondContact ND1-OD2 3.33Å; S3-D28 PolarHBondContact N-OD1 3.16Å; S3-D28 PolarHBondContact O-N 3.17Å; D28-T30 VanDerWaalsContact C-N 3.33Å
29D97.8Very high98.4Very high64 Ų6431.8 Ų31.834%0.34217%0.166SC..THydrogen-bonded Turntrans-91.59.1178.8-62.2-48.4000113.4V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 3.12Å; D29-Y208 HydrophobicContact CB-CE2 3.84Å; D29-P209 WeakPolarHBondContact OD2-CB 3.34Å; D29-A210 WeakPolarHBondContact OD2-CB 3.26Å; D29-A210 PolarHBondContact OD2-N 3.1Å; D29-F240 HydrophobicContact CB-CE2 3.82Å; D29-F240 HydrophobicContact CB-CZ 3.76Å
30T98.1Very high98.4Very high32 Ų3236.1 Ų36.120%0.19620%0.204CC..EExtended strand (participates in β ladder)trans-103112.8-177.6-60.30000111.9Y26 V27 D28 F32 A48 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.42Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; V27-T30 PolarHBondContact N-O 2.87Å; V27-T30 WeakPolarHBondContact O-CB 3.34Å; V27-T30 PolarHBondContact O-N 2.83Å; D28-T30 VanDerWaalsContact C-N 3.33Å; T30-F32 PolarHBondContact O-N 3.34Å; T30-A48 HydrophobicContact CG2-CB 4.46Å; T30-L178 HydrophobicContact CG2-CD2 4.06Å; T30-Y208 PolarHBondContact OG1-OH 3.23Å
31Q98.4Very high98.3Very high54 Ų5438 Ų3825%0.25222%0.222SC..EExtended strand (participates in β ladder)trans-67.9130.5172.3-166.8-179-1.900110.6V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.28Å; G25-Q31 WeakPolarHBondContact O-CA 3.41Å; Y26-Q31 HydrophobicContact CD1-CB 4.05Å; Y26-Q31 VanDerWaalsContact CD1-N 3.32Å; Y26-Q31 HydrophobicContact CD2-CG 4.4Å; Y26-Q31 HydrophobicContact CE1-CB 3.54Å; Y26-Q31 HydrophobicContact CE1-CG 4.28Å; Y26-Q31 HydrophobicContact CE2-CB 4.09Å; Y26-Q31 HydrophobicContact CE2-CG 3.9Å; Q31-V33 PolarHBondContact NE2-O 3.22Å; Q31-R47 HydrophobicContact CG-CB 4.17Å; Q31-R47 HydrophobicContact CG-CG 4.43Å; Q31-R47 CarbonylContact O-C 3.57Å
32F98.5Very high98.2Very high0 Ų039.4 Ų39.40%023%0.231CC..EExtended strand (participates in β ladder)trans-121.3-19.1179.475.8-89000114.6M4 Y6 G25 V27 T30 R47 A48 W50 V51 Y170M4-F32 HydrophobicContact CG-CE1 4.42Å; M4-F32 HydrophobicContact SD-CZ 4.43Å; Y6-F32 AromaticContact CE1-CZ 3.99Å; Y6-F32 HydrophobicContact CE1-CZ 3.99Å; Y6-F32 AromaticContact CZ-CZ 3.79Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.22Å; G25-F32 WeakPolarHBondContact O-CD1 3.43Å; G25-F32 PolarHBondContact O-N 2.99Å; V27-F32 HydrophobicContact CG2-CD1 4.04Å; V27-F32 HydrophobicContact CG2-CE1 4.13Å; T30-F32 PolarHBondContact O-N 3.34Å; F32-R47 PolarHBondContact O-N 2.91Å; F32-A48 HydrophobicContact CB-CB 4.04Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.36Å; F32-W50 HydrophobicContact CB-CZ3 3.94Å; F32-W50 AromaticContact CD1-CH2 3.91Å; F32-W50 HydrophobicContact CD1-CH2 3.91Å; F32-W50 AromaticContact CD2-CH2 3.93Å; F32-W50 HydrophobicContact CD2-CH2 3.93Å; F32-W50 HydrophobicContact CD2-CZ3 4.19Å; F32-W50 AromaticContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CH2 3.4Å; F32-W50 VanDerWaalsContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CZ2 4.1Å; F32-W50 HydrophobicContact CG-CZ3 4.12Å; F32-V51 HydrophobicContact CB-CG1 4.4Å; F32-V51 HydrophobicContact CD2-CB 4.44Å; F32-V51 HydrophobicContact CD2-CG1 4.48Å; F32-V51 HydrophobicContact CD2-CG2 4.13Å; F32-V51 VanDerWaalsContact O-CG1 3.29Å; F32-V51 WeakPolarHBondContact O-CG1 3.49Å; F32-Y170 AromaticContact CE2-CE2 3.83Å; F32-Y170 HydrophobicContact CE2-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CD2 4.48Å; F32-Y170 AromaticContact CZ-CE2 3.85Å; F32-Y170 HydrophobicContact CZ-CE2 3.85Å
33V98.6Very high98.2Very high0 Ų044 Ų440%025%0.245CC..EExtended strand (participates in β ladder)trans-143.3149.7179.564.90000111.8Y6 V24 G25 Q31 E45 W59 Y66Y6-V33 HydrophobicContact CE1-CG1 3.98Å; V24-V33 WeakPolarHBondContact CA-O 3.18Å; G25-V33 PolarHBondContact N-O 2.99Å; G25-V33 PolarHBondContact O-N 2.83Å; Q31-V33 PolarHBondContact NE2-O 3.22Å; V33-E45 WeakPolarHBondContact CA-O 3.24Å; V33-W59 HydrophobicContact CG2-CZ3 4.03Å; V33-Y66 WeakPolarHBondContact CG1-OH 3.46Å; V33-Y66 HydrophobicContact CG2-CE2 4.25Å
34R98.5Very high98.1Very high88 Ų8844.2 Ų44.233%0.33225%0.248SC..EExtended strand (participates in β ladder)trans-137.2146169.3179.9173.8170.8164.5-2.6110.6A23 V24 D36 E45 R47A23-R34 CarbonylContact O-C 3.53Å; A23-R34 VanDerWaalsContact O-CA 3.31Å; A23-R34 WeakPolarHBondContact O-CA 3.34Å; V24-R34 HydrophobicContact CG1-CB 4.49Å; V24-R34 HydrophobicContact CG1-CG 4.29Å; R34-D36 IonicContact CZ-OD2 3.29Å; R34-D36 IonicContact NE-OD2 2.63Å; R34-D36 IonicContact NH2-OD2 3.21Å; R34-D36 PolarHBondContact NH2-OD2 2.84Å; R34-E45 PolarHBondContact N-O 2.96Å; R34-E45 PolarHBondContact O-N 3.03Å; R34-R47 HydrophobicContact CB-CG 3.99Å
35F98.8Very high98Very high4 Ų445.5 Ų45.52%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-132.1141.1162.9176.5-83.3000108.8F21 I22 A23 P42 R43 T63 Y66 K67F21-F35 AromaticContact CD1-CD1 3.7Å; F21-F35 HydrophobicContact CD1-CD1 3.7Å; F21-F35 AromaticContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CD1-CE1 3.77Å; F21-F35 AromaticContact CE1-CD1 3.83Å; F21-F35 HydrophobicContact CE1-CD1 3.83Å; F21-F35 HydrophobicContact CE1-CE1 4.19Å; I22-F35 WeakPolarHBondContact CA-O 3.28Å; A23-F35 HydrophobicContact CB-CB 4.21Å; A23-F35 PolarHBondContact N-O 2.66Å; A23-F35 PolarHBondContact O-N 2.94Å; F35-P42 HydrophobicContact CE1-CB 4.45Å; F35-P42 HydrophobicContact CE2-CB 3.8Å; F35-P42 HydrophobicContact CZ-CB 3.61Å; F35-R43 VanDerWaalsContact CD2-C 3.49Å; F35-R43 WeakPolarHBondContact CD2-O 3.3Å; F35-T63 HydrophobicContact CE2-CG2 4.45Å; F35-Y66 HydrophobicContact CB-CD1 4.32Å; F35-Y66 HydrophobicContact CB-CD2 3.52Å; F35-Y66 HydrophobicContact CB-CE2 4.02Å; F35-Y66 HydrophobicContact CB-CG 3.7Å; F35-Y66 HydrophobicContact CD1-CG 4.36Å; F35-Y66 AromaticContact CD2-CD2 3.73Å; F35-Y66 HydrophobicContact CD2-CD2 3.73Å; F35-Y66 AromaticContact CD2-CG 3.98Å; F35-Y66 HydrophobicContact CD2-CG 3.98Å; F35-Y66 VanDerWaalsContact CG-CB 3.5Å; F35-Y66 AromaticContact CG-CD2 3.8Å; F35-Y66 HydrophobicContact CG-CD2 3.8Å; F35-Y66 AromaticContact CG-CG 3.77Å; F35-Y66 HydrophobicContact CG-CG 3.77Å; F35-K67 HydrophobicContact CE2-CG 4.18Å; F35-K67 HydrophobicContact CZ-CG 3.95Å
36D98.7Very high98Very high28 Ų2847.9 Ų47.915%0.1527%0.267CS..EExtended strand (participates in β ladder)trans-137.7118.2179.3-166.4-34.4000109H20 R34 D38 A39H20-D36 IonicContact CD2-OD1 3.76Å; H20-D36 IonicContact CE1-OD1 3.5Å; H20-D36 IonicContact NE2-OD1 2.62Å; H20-D36 PolarHBondContact NE2-OD1 2.92Å; H20-D36 IonicContact NE2-OD2 3.12Å; R34-D36 IonicContact CZ-OD2 3.29Å; R34-D36 IonicContact NE-OD2 2.63Å; R34-D36 IonicContact NH2-OD2 3.21Å; R34-D36 PolarHBondContact NH2-OD2 2.84Å; D36-D38 PolarHBondContact O-N 2.9Å; D36-D38 PolarHBondContact OD1-N 3.48Å; D36-A39 HydrophobicContact CB-CB 4.37Å; D36-A39 WeakPolarHBondContact O-CB 3.44Å; D36-A39 PolarHBondContact O-N 2.86Å
37S98.4Very high98Very high34 Ų3450.3 Ų50.324%0.23828%0.276CS..THydrogen-bonded Turntrans-69.2-20.3-177.371.60000113.6H20 F21 P42H20-S37 PolarHBondContact CD2-OG 3.14Å; F21-S37 PolarHBondContact N-OG 2.65Å; F21-S37 PolarHBondContact O-N 2.84Å; F21-S37 PolarHBondContact O-OG 3Å; S37-P42 WeakPolarHBondContact O-CG 3.03Å
38D97.8Very high97.9Very high75 Ų7550.5 Ų50.540%0.40128%0.277SS..THydrogen-bonded Turntrans-90.7-4.3-179.1-78.415000112.3R13 H20 D36R13-D38 IonicContact CZ-OD1 2.65Å; R13-D38 IonicContact CZ-OD2 2.75Å; R13-D38 IonicContact NH1-OD1 2.99Å; R13-D38 IonicContact NH1-OD2 3.61Å; R13-D38 PolarHBondContact NH1-OD2 3.31Å; R13-D38 IonicContact NH2-OD1 3.96Å; R13-D38 PolarHBondContact NH2-OD1 3.08Å; R13-D38 IonicContact NH2-OD2 3.42Å; R13-D38 PolarHBondContact NH2-OD2 2.83Å; H20-D38 IonicContact CD2-OD1 3.66Å; H20-D38 PolarHBondContact CD2-OD1 2.78Å; H20-D38 IonicContact CD2-OD2 3.29Å; H20-D38 IonicContact CG-OD1 3.36Å; H20-D38 IonicContact CG-OD2 3.32Å; H20-D38 IonicContact NE2-OD2 2.7Å; D36-D38 PolarHBondContact O-N 2.9Å; D36-D38 PolarHBondContact OD1-N 3.48Å
39A97.4Very high97.8Very high36 Ų3654 Ų5430%0.29830%0.302SS..SBendtrans-60.6148.9171.600000110.9D36 S41 P42D36-A39 HydrophobicContact CB-CB 4.37Å; D36-A39 WeakPolarHBondContact O-CB 3.44Å; D36-A39 PolarHBondContact O-N 2.86Å; A39-S41 PolarHBondContact O-N 2.92Å; A39-S41 VanDerWaalsContact O-N 3.14Å; A39-P42 WeakPolarHBondContact O-CD 3.45Å; A39-P42 VanDerWaalsContact O-CG 3.29Å; A39-P42 WeakPolarHBondContact O-CG 3.34Å
40A97Very high97.8Very high117 Ų11751.7 Ų51.797%0.96729%0.288SS*.SBendtrans-58.2-31.3-179.800000113.2
41S96.6Very high97.7Very high84 Ų8450.1 Ų50.159%0.58728%0.279SS*.SBendtrans-135.488.8171.8-1730000109.3A39 R43A39-S41 PolarHBondContact O-N 2.92Å; A39-S41 VanDerWaalsContact O-N 3.14Å; S41-R43 PolarHBondContact O-N 2.99Å; S41-R43 VanDerWaalsContact O-N 3.14Å
42P97.3Very high97.6Very high31 Ų3153.5 Ų53.520%0.20130%0.295CS..  trans-63.9115.2-174.6-25.236.1000112.2F35 S37 A39 K67F35-P42 HydrophobicContact CE1-CB 4.45Å; F35-P42 HydrophobicContact CE2-CB 3.8Å; F35-P42 HydrophobicContact CZ-CB 3.61Å; S37-P42 WeakPolarHBondContact O-CG 3.03Å; A39-P42 WeakPolarHBondContact O-CD 3.45Å; A39-P42 VanDerWaalsContact O-CG 3.29Å; A39-P42 WeakPolarHBondContact O-CG 3.34Å; P42-K67 WeakPolarHBondContact O-CE 3.29Å; P42-K67 PolarHBondContact O-NZ 2.99Å
43R97.9Very high97.5Very high150 Ų15059.1 Ų59.157%0.56632%0.321SS*.  trans-145.8159.117863.6-176.1174.9178.10110.9F35 S41 E45 T63F35-R43 VanDerWaalsContact CD2-C 3.49Å; F35-R43 WeakPolarHBondContact CD2-O 3.3Å; S41-R43 PolarHBondContact O-N 2.99Å; S41-R43 VanDerWaalsContact O-N 3.14Å; R43-E45 HydrophobicContact CG-CG 4.07Å; R43-E45 PolarHBondContact O-N 2.84Å; R43-T63 HydrophobicContact CB-CG2 4.26Å
44G97.6Very high97.4Very high5 Ų559.7 Ų59.75%0.05232%0.323CS..  trans-67.1126.916700000109.2T63G44-T63 PolarHBondContact N-OG1 3.14Å
45E97.8Very high97.3Very high56 Ų5656.9 Ų56.926%0.26232%0.322SS..EExtended strand (participates in β ladder)trans-117134-177.6-64-178.1155.800110.3V33 R34 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.24Å; R34-E45 PolarHBondContact N-O 2.96Å; R34-E45 PolarHBondContact O-N 3.03Å; R43-E45 HydrophobicContact CG-CG 4.07Å; R43-E45 PolarHBondContact O-N 2.84Å; E45-R47 IonicContact OE2-CZ 2.69Å; E45-R47 IonicContact OE2-NH2 3.24Å; E45-R47 PolarHBondContact OE2-NH2 3.34Å
46P98.1Very high97.2Very high49 Ų4960.7 Ų60.732%0.31835%0.347SS..EExtended strand (participates in β ladder)trans-64.9143.2173.928.3-34000110.7V51 E52 W59P46-V51 HydrophobicContact CB-CG1 3.78Å; P46-E52 HydrophobicContact CB-CG 3.77Å; P46-E52 HydrophobicContact CG-CG 4.04Å; P46-W59 HydrophobicContact CB-CH2 3.65Å; P46-W59 HydrophobicContact CB-CZ2 3.81Å; P46-W59 HydrophobicContact CG-CH2 4.29Å; P46-W59 HydrophobicContact CG-CZ2 4.26Å
47R97.9Very high97.2Very high119 Ų11966.1 Ų66.145%0.44937%0.372SS..  trans-126.9-0.7174.6-60-64.6172.2175.7-2.5113.1Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.17Å; Q31-R47 HydrophobicContact CG-CG 4.43Å; Q31-R47 CarbonylContact O-C 3.57Å; F32-R47 PolarHBondContact O-N 2.91Å; R34-R47 HydrophobicContact CB-CG 3.99Å; E45-R47 IonicContact OE2-CZ 2.69Å; E45-R47 IonicContact OE2-NH2 3.24Å; E45-R47 PolarHBondContact OE2-NH2 3.34Å
48A96.8Very high97.1Very high4 Ų465 Ų653%0.03336%0.362CS..SBendtrans-137143.3173.300000110.9T30 F32 W50 V51T30-A48 HydrophobicContact CG2-CB 4.46Å; F32-A48 HydrophobicContact CB-CB 4.04Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.17Å; A48-W50 HydrophobicContact CB-CG 4.39Å; A48-W50 HydrophobicContact CB-CZ2 3.99Å; A48-W50 PolarHBondContact O-N 2.02Å; A48-V51 WeakPolarHBondContact O-CG1 3.19Å; A48-V51 PolarHBondContact O-N 2.8Å
49P96.6Very high97.1Very high104 Ų10463.3 Ų63.368%0.67535%0.35SS*.Hα-helixtrans-58.4-36.6-176.7-26.434.5000113.9V51 E52P49-V51 PolarHBondContact O-N 2.83Å; P49-E52 WeakPolarHBondContact O-CB 2.93Å; P49-E52 PolarHBondContact O-N 2.95Å; P49-E52 VanDerWaalsContact O-N 3.13Å
50W96.6Very high97.2Very high15 Ų1566.7 Ų66.76%0.05736%0.363CS..Hα-helixtrans-70.4-13.9-175.253.2-106.4000114.3V27 F32 A48 Q53 Y170 N173 L178V27-W50 HydrophobicContact CB-CH2 4.46Å; V27-W50 HydrophobicContact CB-CZ2 4.46Å; V27-W50 HydrophobicContact CG2-CH2 3.87Å; V27-W50 HydrophobicContact CG2-CZ2 4.34Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.36Å; F32-W50 HydrophobicContact CB-CZ3 3.94Å; F32-W50 AromaticContact CD1-CH2 3.91Å; F32-W50 HydrophobicContact CD1-CH2 3.91Å; F32-W50 AromaticContact CD2-CH2 3.93Å; F32-W50 HydrophobicContact CD2-CH2 3.93Å; F32-W50 HydrophobicContact CD2-CZ3 4.19Å; F32-W50 AromaticContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CH2 3.4Å; F32-W50 VanDerWaalsContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CZ2 4.1Å; F32-W50 HydrophobicContact CG-CZ3 4.12Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.17Å; A48-W50 HydrophobicContact CB-CG 4.39Å; A48-W50 HydrophobicContact CB-CZ2 3.99Å; A48-W50 PolarHBondContact O-N 2.02Å; W50-Q53 WeakPolarHBondContact O-CG 3.37Å; W50-Q53 PolarHBondContact O-NE2 3.01Å; W50-Y170 HydrophobicContact CE3-CD1 4.14Å; W50-Y170 HydrophobicContact CE3-CG 4.35Å; W50-Y170 HydrophobicContact CH2-CD1 4.45Å; W50-Y170 HydrophobicContact CH2-CD2 4.31Å; W50-Y170 HydrophobicContact CH2-CG 4Å; W50-Y170 AromaticContact CZ3-CD1 3.51Å; W50-Y170 HydrophobicContact CZ3-CD1 3.51Å; W50-Y170 HydrophobicContact CZ3-CD2 4.11Å; W50-Y170 HydrophobicContact CZ3-CE1 4.19Å; W50-Y170 AromaticContact CZ3-CG 3.47Å; W50-Y170 HydrophobicContact CZ3-CG 3.47Å; W50-Y170 VanDerWaalsContact CZ3-CG 3.47Å; W50-N173 HydrophobicContact CB-CB 4.47Å; W50-L178 HydrophobicContact CD2-CD1 4.39Å; W50-L178 HydrophobicContact CH2-CD1 4.43Å; W50-L178 HydrophobicContact CZ2-CD1 3.84Å; W50-L178 HydrophobicContact CZ2-CD2 4.19Å; W50-L178 HydrophobicContact CZ2-CG 4.45Å
51V97.4Very high97.2Very high0 Ų066 Ų660%034%0.336CS..Hα-helixtrans-94.2-15.6173.673.10000112.3F32 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-V51 HydrophobicContact CB-CG1 4.4Å; F32-V51 HydrophobicContact CD2-CB 4.44Å; F32-V51 HydrophobicContact CD2-CG1 4.48Å; F32-V51 HydrophobicContact CD2-CG2 4.13Å; F32-V51 VanDerWaalsContact O-CG1 3.29Å; F32-V51 WeakPolarHBondContact O-CG1 3.49Å; P46-V51 HydrophobicContact CB-CG1 3.78Å; A48-V51 WeakPolarHBondContact O-CG1 3.19Å; A48-V51 PolarHBondContact O-N 2.8Å; P49-V51 PolarHBondContact O-N 2.83Å; V51-Q53 PolarHBondContact O-N 3.46Å; V51-E54 HydrophobicContact CG2-CG 3.9Å; V51-E54 WeakPolarHBondContact O-CB 3.49Å; V51-E54 WeakPolarHBondContact O-CG 3.12Å; V51-E54 PolarHBondContact O-N 3.45Å; V51-Y58 HydrophobicContact CG2-CE1 4.16Å; V51-W59 HydrophobicContact CG1-CH2 3.98Å; V51-W59 HydrophobicContact CG1-CZ2 4.22Å; V51-W59 HydrophobicContact CG2-CH2 3.92Å; V51-W59 HydrophobicContact CG2-CZ2 3.99Å; V51-W59 WeakPolarHBondContact O-CZ2 3.41Å; V51-Y170 HydrophobicContact CG2-CE1 4.42Å
52E96.1Very high97.2Very high125 Ų12562.5 Ų62.558%0.58431%0.31SS*.Hα-helixtrans-63.6-24.9-179.7-65.6-178.7-176.800113P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.77Å; P46-E52 HydrophobicContact CG-CG 4.04Å; P49-E52 WeakPolarHBondContact O-CB 2.93Å; P49-E52 PolarHBondContact O-N 2.95Å; P49-E52 VanDerWaalsContact O-N 3.13Å; E52-E54 PolarHBondContact O-N 3.24Å
53Q95.4Very high97.2Very high117 Ų11761.5 Ų61.555%0.54730%0.303SS..THydrogen-bonded Turntrans-71-10.9175.370.2-173.4-34.400114.1W50 V51 N173W50-Q53 WeakPolarHBondContact O-CG 3.37Å; W50-Q53 PolarHBondContact O-NE2 3.01Å; V51-Q53 PolarHBondContact O-N 3.46Å; Q53-N173 PolarHBondContact NE2-ND2 3.44Å
54E97.1Very high97.3Very high12 Ų1259.5 Ų59.56%0.05630%0.3CS..SBendtrans-67.5136.1175.3-63.2-59.6158.400110.7V51 E52 Y58 W59 R169 N173V51-E54 HydrophobicContact CG2-CG 3.9Å; V51-E54 WeakPolarHBondContact O-CB 3.49Å; V51-E54 WeakPolarHBondContact O-CG 3.12Å; V51-E54 PolarHBondContact O-N 3.45Å; E52-E54 PolarHBondContact O-N 3.24Å; E54-Y58 HydrophobicContact CB-CD1 3.55Å; E54-Y58 HydrophobicContact CB-CD2 4.49Å; E54-Y58 HydrophobicContact CB-CE1 4.17Å; E54-Y58 HydrophobicContact CB-CG 3.75Å; E54-Y58 HydrophobicContact CG-CD1 4.09Å; E54-Y58 HydrophobicContact CG-CD2 4.49Å; E54-Y58 HydrophobicContact CG-CE1 4.3Å; E54-Y58 HydrophobicContact CG-CG 4.2Å; E54-W59 PolarHBondContact O-NE1 3.37Å; E54-W59 VanDerWaalsContact O-NE1 3.08Å; E54-R169 IonicContact OE1-CZ 2.6Å; E54-R169 IonicContact OE1-NE 3.67Å; E54-R169 PolarHBondContact OE1-NE 2.9Å; E54-R169 IonicContact OE1-NH2 3.55Å; E54-R169 PolarHBondContact OE1-NH2 3.2Å; E54-R169 VanDerWaalsContact OE1-NH2 3.16Å; E54-R169 IonicContact OE2-CZ 3.16Å; E54-R169 IonicContact OE2-NE 3.82Å; E54-R169 PolarHBondContact OE2-NE 3.47Å; E54-R169 IonicContact OE2-NH2 2.77Å; E54-R169 PolarHBondContact OE2-NH2 2.81Å; E54-N173 PolarHBondContact OE1-ND2 3.36Å
55G96.4Very high97.2Very high29 Ų2962.6 Ų62.630%0.29931%0.313SS..  trans-68.9168.4-174.800000114.2E57 Y58 W59G55-E57 PolarHBondContact O-N 3.37Å; G55-Y58 WeakPolarHBondContact O-CB 3.37Å; G55-Y58 PolarHBondContact O-N 2.74Å; G55-W59 PolarHBondContact O-N 3.04Å
56P96.8Very high97.3Very high84 Ų8460.1 Ų60.155%0.54530%0.301SS..Hα-helixtrans-57.4-34-179.323.7-32.9000112.9Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 3.25Å; P56-W59 PolarHBondContact O-N 2.86Å; P56-D60 WeakPolarHBondContact O-CB 3.14Å; P56-D60 PolarHBondContact O-N 3.18Å
57E97.4Very high97.3Very high143 Ų14361.9 Ų61.967%0.66830%0.304SS*.Hα-helixtrans-63.6-32.8179.1-58.480-175.300112.4G55 R61G55-E57 PolarHBondContact O-N 3.37Å; E57-R61 WeakPolarHBondContact O-CB 3.5Å; E57-R61 PolarHBondContact O-N 2.97Å; E57-R61 VanDerWaalsContact O-N 3.09Å
58Y97.4Very high97.3Very high11 Ų1163.9 Ų63.94%0.04331%0.311CS..Hα-helixtrans-65.1-52.1173.6169.6-92000110.1V51 E54 G55 P56 D60 R61 E62 W166 Y170V51-Y58 HydrophobicContact CG2-CE1 4.16Å; E54-Y58 HydrophobicContact CB-CD1 3.55Å; E54-Y58 HydrophobicContact CB-CD2 4.49Å; E54-Y58 HydrophobicContact CB-CE1 4.17Å; E54-Y58 HydrophobicContact CB-CG 3.75Å; E54-Y58 HydrophobicContact CG-CD1 4.09Å; E54-Y58 HydrophobicContact CG-CD2 4.49Å; E54-Y58 HydrophobicContact CG-CE1 4.3Å; E54-Y58 HydrophobicContact CG-CG 4.2Å; G55-Y58 WeakPolarHBondContact O-CB 3.37Å; G55-Y58 PolarHBondContact O-N 2.74Å; P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 3.25Å; Y58-D60 PolarHBondContact O-N 3Å; Y58-R61 PolarHBondContact O-N 2.88Å; Y58-E62 HydrophobicContact CD1-CG 4.36Å; Y58-E62 HydrophobicContact CD2-CG 4.19Å; Y58-E62 HydrophobicContact CE1-CG 3.96Å; Y58-E62 HydrophobicContact CE2-CG 3.77Å; Y58-E62 HydrophobicContact CG-CG 4.46Å; Y58-E62 WeakPolarHBondContact O-CG 3.41Å; Y58-E62 PolarHBondContact O-N 3Å; Y58-W166 AromaticContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CZ2 4.14Å; Y58-W166 AromaticContact CD2-CZ3 3.81Å; Y58-W166 HydrophobicContact CD2-CZ3 3.81Å; Y58-W166 HydrophobicContact CE2-CE3 4.22Å; Y58-W166 AromaticContact CE2-CH2 3.89Å; Y58-W166 HydrophobicContact CE2-CH2 3.89Å; Y58-W166 HydrophobicContact CE2-CZ2 4.42Å; Y58-W166 AromaticContact CE2-CZ3 3.75Å; Y58-W166 HydrophobicContact CE2-CZ3 3.75Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.26Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.3Å; Y58-Y170 PolarHBondContact OH-OH 2.79Å
59W98.1Very high97.3Very high38 Ų3865.3 Ų65.314%0.14432%0.317CS..Hα-helixtrans-64.2-38.8-177.5-66.7112.2000113V33 P46 V51 E54 G55 P56 T63V33-W59 HydrophobicContact CG2-CZ3 4.03Å; P46-W59 HydrophobicContact CB-CH2 3.65Å; P46-W59 HydrophobicContact CB-CZ2 3.81Å; P46-W59 HydrophobicContact CG-CH2 4.29Å; P46-W59 HydrophobicContact CG-CZ2 4.26Å; V51-W59 HydrophobicContact CG1-CH2 3.98Å; V51-W59 HydrophobicContact CG1-CZ2 4.22Å; V51-W59 HydrophobicContact CG2-CH2 3.92Å; V51-W59 HydrophobicContact CG2-CZ2 3.99Å; V51-W59 WeakPolarHBondContact O-CZ2 3.41Å; E54-W59 PolarHBondContact O-NE1 3.37Å; E54-W59 VanDerWaalsContact O-NE1 3.08Å; G55-W59 PolarHBondContact O-N 3.04Å; P56-W59 PolarHBondContact O-N 2.86Å; W59-T63 WeakPolarHBondContact O-CB 3.42Å; W59-T63 PolarHBondContact O-N 3.35Å; W59-T63 PolarHBondContact O-OG1 2.97Å
60D98Very high97.4Very high107 Ų10761.2 Ų61.257%0.57229%0.292SS*.Hα-helixtrans-63.6-46.8174.3-76.2-19.8000110.8P56 Y58 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.14Å; P56-D60 PolarHBondContact O-N 3.18Å; Y58-D60 PolarHBondContact O-N 3Å; D60-T63 PolarHBondContact O-N 2.81Å; D60-Q64 VanDerWaalsContact O-CG 3.29Å; D60-Q64 WeakPolarHBondContact O-CG 3.45Å; D60-Q64 PolarHBondContact O-N 2.62Å
61R97.1Very high97.5Very high103 Ų10365.6 Ų65.639%0.38931%0.313SS..Hα-helixtrans-63-46.4179.1-172.8-175.469.6-164.8-3.6112E57 Y58 Q64 K65E57-R61 WeakPolarHBondContact O-CB 3.5Å; E57-R61 PolarHBondContact O-N 2.97Å; E57-R61 VanDerWaalsContact O-N 3.09Å; Y58-R61 PolarHBondContact O-N 2.88Å; R61-Q64 PolarHBondContact O-N 3.32Å; R61-K65 WeakPolarHBondContact O-CG 3.36Å; R61-K65 PolarHBondContact O-N 2.91Å
62E97.2Very high97.5Very high10 Ų1069.1 Ų69.15%0.04734%0.335CS..Hα-helixtrans-65.9-41.7178.5-64.2-43.611900111.1Y58 Q64 K65 Y66Y58-E62 HydrophobicContact CD1-CG 4.36Å; Y58-E62 HydrophobicContact CD2-CG 4.19Å; Y58-E62 HydrophobicContact CE1-CG 3.96Å; Y58-E62 HydrophobicContact CE2-CG 3.77Å; Y58-E62 HydrophobicContact CG-CG 4.46Å; Y58-E62 WeakPolarHBondContact O-CG 3.41Å; Y58-E62 PolarHBondContact O-N 3Å; E62-Q64 VanDerWaalsContact C-N 3.32Å; E62-Q64 PolarHBondContact O-N 2.61Å; E62-K65 WeakPolarHBondContact O-CB 3.31Å; E62-K65 PolarHBondContact O-N 3.31Å; E62-K65 VanDerWaalsContact O-N 3.1Å; E62-K65 IonicContact OE1-NZ 3.4Å; E62-K65 PolarHBondContact OE1-NZ 2.86Å; E62-K65 WeakPolarHBondContact OE2-CD 3.4Å; E62-K65 IonicContact OE2-NZ 3.44Å; E62-K65 PolarHBondContact OE2-NZ 2.93Å; E62-Y66 HydrophobicContact CB-CE2 4.03Å; E62-Y66 WeakPolarHBondContact O-CD2 3.28Å; E62-Y66 PolarHBondContact O-N 3.22Å
63T98.3Very high97.6Very high11 Ų1163.5 Ų63.57%0.06731%0.309CS..Hα-helixtrans-56.7-45173.7-640000112F35 R43 G44 W59 D60 K65 Y66 K67F35-T63 HydrophobicContact CE2-CG2 4.45Å; R43-T63 HydrophobicContact CB-CG2 4.26Å; G44-T63 PolarHBondContact N-OG1 3.14Å; W59-T63 WeakPolarHBondContact O-CB 3.42Å; W59-T63 PolarHBondContact O-N 3.35Å; W59-T63 PolarHBondContact O-OG1 2.97Å; D60-T63 PolarHBondContact O-N 2.81Å; T63-K65 VanDerWaalsContact C-N 3.34Å; T63-Y66 PolarHBondContact O-N 2.69Å; T63-K67 HydrophobicContact CG2-CD 4.2Å; T63-K67 WeakPolarHBondContact O-CG 3.35Å; T63-K67 PolarHBondContact O-N 3.41Å
64Q98.2Very high97.7Very high107 Ų10760.9 Ų60.950%0.529%0.294SS..Hα-helixtrans-68.1-32.7177.6-68-59.1-26.400112.7D60 R61 E62 R68D60-Q64 VanDerWaalsContact O-CG 3.29Å; D60-Q64 WeakPolarHBondContact O-CG 3.45Å; D60-Q64 PolarHBondContact O-N 2.62Å; R61-Q64 PolarHBondContact O-N 3.32Å; E62-Q64 VanDerWaalsContact C-N 3.32Å; E62-Q64 PolarHBondContact O-N 2.61Å; Q64-R68 WeakPolarHBondContact O-CB 3.37Å; Q64-R68 WeakPolarHBondContact O-CG 3.46Å; Q64-R68 PolarHBondContact O-N 3.17Å; Q64-R68 PolarHBondContact O-NE 2.75Å
65K97Very high97.7Very high71 Ų7163.9 Ų63.931%0.30931%0.312SS..Hα-helixtrans-63.8-48.1172-73.4171.7179.2173.70111.2R61 E62 T63 K67 R68 Q69R61-K65 WeakPolarHBondContact O-CG 3.36Å; R61-K65 PolarHBondContact O-N 2.91Å; E62-K65 WeakPolarHBondContact O-CB 3.31Å; E62-K65 PolarHBondContact O-N 3.31Å; E62-K65 VanDerWaalsContact O-N 3.1Å; E62-K65 IonicContact OE1-NZ 3.4Å; E62-K65 PolarHBondContact OE1-NZ 2.86Å; E62-K65 WeakPolarHBondContact OE2-CD 3.4Å; E62-K65 IonicContact OE2-NZ 3.44Å; E62-K65 PolarHBondContact OE2-NZ 2.93Å; T63-K65 VanDerWaalsContact C-N 3.34Å; K65-K67 PolarHBondContact O-N 3.23Å; K65-R68 PolarHBondContact O-N 2.85Å; K65-Q69 PolarHBondContact O-N 3.04Å
66Y98.4Very high97.8Very high3 Ų364.3 Ų64.31%0.01231%0.311CS..Hα-helixtrans-61.7-42.6178.1-61.9-49.5000112.4Y6 Y8 A23 V33 F35 E62 T63 R68 Q69 A70Y6-Y66 WeakPolarHBondContact CE1-OH 3.4Å; Y8-Y66 HydrophobicContact CE1-CD1 4.39Å; Y8-Y66 HydrophobicContact CE1-CE1 4.07Å; A23-Y66 HydrophobicContact CB-CD1 3.58Å; A23-Y66 HydrophobicContact CB-CE1 3.63Å; A23-Y66 HydrophobicContact CB-CG 4.41Å; V33-Y66 WeakPolarHBondContact CG1-OH 3.46Å; V33-Y66 HydrophobicContact CG2-CE2 4.25Å; F35-Y66 HydrophobicContact CB-CD1 4.32Å; F35-Y66 HydrophobicContact CB-CD2 3.52Å; F35-Y66 HydrophobicContact CB-CE2 4.02Å; F35-Y66 HydrophobicContact CB-CG 3.7Å; F35-Y66 HydrophobicContact CD1-CG 4.36Å; F35-Y66 AromaticContact CD2-CD2 3.73Å; F35-Y66 HydrophobicContact CD2-CD2 3.73Å; F35-Y66 AromaticContact CD2-CG 3.98Å; F35-Y66 HydrophobicContact CD2-CG 3.98Å; F35-Y66 VanDerWaalsContact CG-CB 3.5Å; F35-Y66 AromaticContact CG-CD2 3.8Å; F35-Y66 HydrophobicContact CG-CD2 3.8Å; F35-Y66 AromaticContact CG-CG 3.77Å; F35-Y66 HydrophobicContact CG-CG 3.77Å; E62-Y66 HydrophobicContact CB-CE2 4.03Å; E62-Y66 WeakPolarHBondContact O-CD2 3.28Å; E62-Y66 PolarHBondContact O-N 3.22Å; T63-Y66 PolarHBondContact O-N 2.69Å; Y66-R68 VanDerWaalsContact C-N 3.34Å; Y66-R68 PolarHBondContact O-N 3.24Å; Y66-Q69 PolarHBondContact O-N 2.77Å; Y66-A70 WeakPolarHBondContact O-CB 3.21Å; Y66-A70 PolarHBondContact O-N 2.8Å
67K98.3Very high97.8Very high87 Ų8760.7 Ų60.738%0.37829%0.287SS..Hα-helixtrans-61.7-40.2175.6-73.8179.2178.9177.10112.6F35 P42 T63 K65 Q71F35-K67 HydrophobicContact CE2-CG 4.18Å; F35-K67 HydrophobicContact CZ-CG 3.95Å; P42-K67 WeakPolarHBondContact O-CE 3.29Å; P42-K67 PolarHBondContact O-NZ 2.99Å; T63-K67 HydrophobicContact CG2-CD 4.2Å; T63-K67 WeakPolarHBondContact O-CG 3.35Å; T63-K67 PolarHBondContact O-N 3.41Å; K65-K67 PolarHBondContact O-N 3.23Å; K67-Q71 PolarHBondContact O-N 3.18Å
68R98.1Very high97.8Very high161 Ų16159.9 Ų59.961%0.60828%0.278SS*.Hα-helixtrans-65.6-44.7173.9-75.9-174.4-68.3173.2-0.5111.6Q64 K65 Y66 A70 Q71 T72Q64-R68 WeakPolarHBondContact O-CB 3.37Å; Q64-R68 WeakPolarHBondContact O-CG 3.46Å; Q64-R68 PolarHBondContact O-N 3.17Å; Q64-R68 PolarHBondContact O-NE 2.75Å; K65-R68 PolarHBondContact O-N 2.85Å; Y66-R68 VanDerWaalsContact C-N 3.34Å; Y66-R68 PolarHBondContact O-N 3.24Å; R68-A70 VanDerWaalsContact C-N 3.34Å; R68-A70 PolarHBondContact O-N 2.99Å; R68-Q71 PolarHBondContact O-N 3.15Å; R68-T72 PolarHBondContact O-N 3.43Å; R68-T72 PolarHBondContact O-OG1 3.49Å
69Q98.1Very high97.8Very high34 Ų3462.7 Ų62.716%0.15929%0.294CS..Hα-helixtrans-60.9-42.6177.6-171.661.752.700111.7Y8 F21 K65 Y66 Q71 T72 D73 R96Y8-Q69 HydrophobicContact CD2-CG 4.07Å; Y8-Q69 HydrophobicContact CE2-CG 4.35Å; Y8-Q69 HydrophobicContact CG-CG 4.5Å; F21-Q69 HydrophobicContact CE2-CB 4.27Å; F21-Q69 HydrophobicContact CE2-CG 3.76Å; F21-Q69 HydrophobicContact CZ-CB 3.93Å; F21-Q69 HydrophobicContact CZ-CG 3.76Å; K65-Q69 PolarHBondContact O-N 3.04Å; Y66-Q69 PolarHBondContact O-N 2.77Å; Q69-Q71 VanDerWaalsContact C-N 3.29Å; Q69-Q71 PolarHBondContact O-N 2.95Å; Q69-T72 WeakPolarHBondContact O-CB 3.4Å; Q69-T72 PolarHBondContact O-N 3.03Å; Q69-T72 VanDerWaalsContact O-N 3.1Å; Q69-D73 PolarHBondContact NE2-OD1 2.83Å; Q69-D73 PolarHBondContact O-N 3.2Å; Q69-R96 VanDerWaalsContact OE1-NH1 3.1Å
70A98.2Very high97.8Very high17 Ų1761.3 Ų61.314%0.1429%0.289CS..Hα-helixtrans-58.4-39.3175.800000112.6F21 Y66 R68 R74F21-A70 HydrophobicContact CB-CB 3.75Å; F21-A70 HydrophobicContact CD1-CB 3.77Å; F21-A70 HydrophobicContact CD2-CB 4.15Å; F21-A70 HydrophobicContact CE1-CB 4.41Å; F21-A70 HydrophobicContact CG-CB 3.61Å; Y66-A70 WeakPolarHBondContact O-CB 3.21Å; Y66-A70 PolarHBondContact O-N 2.8Å; R68-A70 VanDerWaalsContact C-N 3.34Å; R68-A70 PolarHBondContact O-N 2.99Å; A70-R74 WeakPolarHBondContact O-CB 3.37Å; A70-R74 PolarHBondContact O-N 2.6Å
71Q98Very high97.8Very high107 Ų10759.4 Ų59.450%0.527%0.274SS..Hα-helixtrans-70-40.2174.3-65.7-54.6-45.300112.2K67 R68 Q69 R74 V75K67-Q71 PolarHBondContact O-N 3.18Å; R68-Q71 PolarHBondContact O-N 3.15Å; Q69-Q71 VanDerWaalsContact C-N 3.29Å; Q69-Q71 PolarHBondContact O-N 2.95Å; Q71-R74 WeakPolarHBondContact O-CB 3.39Å; Q71-R74 PolarHBondContact O-N 3.17Å; Q71-V75 PolarHBondContact O-N 3.37Å; Q71-V75 VanDerWaalsContact O-N 3.14Å
72T97.7Very high97.8Very high75 Ų7556.7 Ų56.746%0.4628%0.277SS..Hα-helixtrans-58.4-48.7173.5-61.10000110.8R68 Q69 R74 V75 S76R68-T72 PolarHBondContact O-N 3.43Å; R68-T72 PolarHBondContact O-OG1 3.49Å; Q69-T72 WeakPolarHBondContact O-CB 3.4Å; Q69-T72 PolarHBondContact O-N 3.03Å; Q69-T72 VanDerWaalsContact O-N 3.1Å; T72-R74 VanDerWaalsContact C-N 3.32Å; T72-R74 PolarHBondContact O-N 3.33Å; T72-V75 PolarHBondContact O-N 3.42Å; T72-V75 VanDerWaalsContact O-N 3.09Å; T72-S76 PolarHBondContact O-N 3.3Å; T72-S76 PolarHBondContact O-OG 3.45Å; T72-S76 VanDerWaalsContact O-OG 3.1Å
73D97.8Very high97.8Very high7 Ų758.7 Ų58.74%0.03729%0.285CS..Hα-helixtrans-67.3-33.9-178-69.8-10.1000112.3A10 F21 Q69 V75 S76 L77A10-D73 HydrophobicContact CB-CB 3.6Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.37Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.49Å; Q69-D73 PolarHBondContact NE2-OD1 2.83Å; Q69-D73 PolarHBondContact O-N 3.2Å; D73-V75 VanDerWaalsContact C-N 3.33Å; D73-V75 PolarHBondContact O-N 2.69Å; D73-S76 PolarHBondContact O-N 3.07Å; D73-L77 WeakPolarHBondContact O-CB 3.41Å; D73-L77 WeakPolarHBondContact O-CG 3.45Å; D73-L77 PolarHBondContact O-N 3.04Å
74R97.7Very high97.8Very high62 Ų6261.4 Ų61.423%0.23430%0.295CS..Hα-helixtrans-59-43.8170.3177.7-170.3-178.6-163.32.4111.9E18 P19 A70 Q71 T72 R78E18-R74 VanDerWaalsContact CD-NE 3.3Å; E18-R74 IonicContact OE1-CZ 3.8Å; E18-R74 VanDerWaalsContact OE1-CZ 3.29Å; E18-R74 IonicContact OE1-NE 2.85Å; E18-R74 IonicContact OE1-NH2 3.93Å; E18-R74 PolarHBondContact OE1-NH2 2.78Å; E18-R74 WeakPolarHBondContact OE2-CD 3.35Å; E18-R74 IonicContact OE2-CZ 3.74Å; E18-R74 IonicContact OE2-NE 3.83Å; E18-R74 PolarHBondContact OE2-NE 3.43Å; E18-R74 IonicContact OE2-NH2 3.98Å; E18-R74 PolarHBondContact OE2-NH2 3.48Å; P19-R74 HydrophobicContact CG-CB 4.36Å; P19-R74 HydrophobicContact CG-CG 4.19Å; A70-R74 WeakPolarHBondContact O-CB 3.37Å; A70-R74 PolarHBondContact O-N 2.6Å; Q71-R74 WeakPolarHBondContact O-CB 3.39Å; Q71-R74 PolarHBondContact O-N 3.17Å; T72-R74 VanDerWaalsContact C-N 3.32Å; T72-R74 PolarHBondContact O-N 3.33Å; R74-R78 PolarHBondContact O-N 2.84Å
75V97.7Very high97.7Very high74 Ų7463.6 Ų63.645%0.44831%0.31SS..Hα-helixtrans-69.1-42.2175.9174.60000110.6Q71 T72 D73 L77 R78 N79Q71-V75 PolarHBondContact O-N 3.37Å; Q71-V75 VanDerWaalsContact O-N 3.14Å; T72-V75 PolarHBondContact O-N 3.42Å; T72-V75 VanDerWaalsContact O-N 3.09Å; D73-V75 VanDerWaalsContact C-N 3.33Å; D73-V75 PolarHBondContact O-N 2.69Å; V75-L77 PolarHBondContact O-N 3.26Å; V75-R78 PolarHBondContact O-N 2.82Å; V75-N79 PolarHBondContact O-N 2.86Å
76S97.8Very high97.8Very high38 Ų3863 Ų6327%0.26631%0.308SS..Hα-helixtrans-58.8-44.1176.5-62.20000112T72 D73 R78 N79 L80T72-S76 PolarHBondContact O-N 3.3Å; T72-S76 PolarHBondContact O-OG 3.45Å; T72-S76 VanDerWaalsContact O-OG 3.1Å; D73-S76 PolarHBondContact O-N 3.07Å; S76-R78 VanDerWaalsContact C-N 3.28Å; S76-R78 PolarHBondContact O-N 2.86Å; S76-N79 PolarHBondContact O-N 2.88Å; S76-N79 VanDerWaalsContact O-N 3.11Å; S76-L80 WeakPolarHBondContact O-CB 3.39Å; S76-L80 VanDerWaalsContact O-CG 3.3Å; S76-L80 WeakPolarHBondContact O-CG 3.33Å; S76-L80 PolarHBondContact O-N 2.87Å
77L98.1Very high97.6Very high9 Ų966.7 Ų66.75%0.04733%0.334CS..Hα-helixtrans-57.6-40.2176.6-81163.3000112A10 P19 D73 V75 R81 H92 I94 Y117A10-L77 HydrophobicContact CB-CD1 4.06Å; P19-L77 HydrophobicContact CB-CD1 3.61Å; P19-L77 HydrophobicContact CG-CD1 3.69Å; D73-L77 WeakPolarHBondContact O-CB 3.41Å; D73-L77 WeakPolarHBondContact O-CG 3.45Å; D73-L77 PolarHBondContact O-N 3.04Å; V75-L77 PolarHBondContact O-N 3.26Å; L77-R81 WeakPolarHBondContact O-CB 3.28Å; L77-R81 PolarHBondContact O-N 2.88Å; L77-R81 VanDerWaalsContact O-N 3.15Å; L77-H92 HydrophobicContact CD2-CB 4.13Å; L77-I94 HydrophobicContact CB-CD1 4.34Å; L77-I94 HydrophobicContact CD2-CD1 3.91Å; L77-I94 HydrophobicContact CD2-CG1 3.71Å; L77-I94 HydrophobicContact CG-CD1 3.65Å; L77-I94 HydrophobicContact CG-CG1 4Å; L77-Y117 HydrophobicContact CD2-CE2 4.23Å
78R96.8Very high97.4Very high125 Ų12568.9 Ų68.947%0.47235%0.346SS..Hα-helixtrans-68-42175.9-67.3177.5-176171.61.3112.1R74 V75 S76 G82R74-R78 PolarHBondContact O-N 2.84Å; V75-R78 PolarHBondContact O-N 2.82Å; S76-R78 VanDerWaalsContact C-N 3.28Å; S76-R78 PolarHBondContact O-N 2.86Å; R78-G82 PolarHBondContact O-N 3.09Å
79N97.4Very high97.1Very high70 Ų7065.1 Ų65.137%0.37435%0.349SS..Hα-helixtrans-65.3-47.6178.8-70-21.3000111.6V75 S76 R81 G82 Y83V75-N79 PolarHBondContact O-N 2.86Å; S76-N79 PolarHBondContact O-N 2.88Å; S76-N79 VanDerWaalsContact O-N 3.11Å; N79-R81 PolarHBondContact O-N 3.37Å; N79-G82 WeakPolarHBondContact O-CA 3.36Å; N79-G82 PolarHBondContact O-N 2.75Å; N79-G82 VanDerWaalsContact O-N 3.08Å; N79-Y83 HydrophobicContact CB-CE2 4.47Å; N79-Y83 WeakPolarHBondContact O-CD1 3.45Å; N79-Y83 PolarHBondContact O-N 2.93Å
80L98Very high97Very high9 Ų964.8 Ų64.85%0.04736%0.355CS..Hα-helixtrans-61.3-45.3-179.8-68.8175.6000111.4S76 G82 Y83 Y84 I94 Y117 Y122S76-L80 WeakPolarHBondContact O-CB 3.39Å; S76-L80 VanDerWaalsContact O-CG 3.3Å; S76-L80 WeakPolarHBondContact O-CG 3.33Å; S76-L80 PolarHBondContact O-N 2.87Å; L80-G82 PolarHBondContact O-N 2.84Å; L80-Y83 HydrophobicContact CD2-CD2 4.13Å; L80-Y83 PolarHBondContact O-N 2.94Å; L80-Y84 HydrophobicContact CD2-CE2 4.3Å; L80-Y84 VanDerWaalsContact O-CD2 3.26Å; L80-Y84 WeakPolarHBondContact O-CD2 3.2Å; L80-Y84 PolarHBondContact O-N 3.42Å; L80-I94 HydrophobicContact CD1-CD1 3.36Å; L80-I94 HydrophobicContact CD1-CG1 3.54Å; L80-I94 HydrophobicContact CG-CD1 4.48Å; L80-Y117 HydrophobicContact CB-CD1 4.36Å; L80-Y117 HydrophobicContact CB-CD2 4.23Å; L80-Y117 HydrophobicContact CB-CE1 3.99Å; L80-Y117 HydrophobicContact CB-CE2 3.87Å; L80-Y117 HydrophobicContact CB-CG 4.45Å; L80-Y117 HydrophobicContact CD1-CD1 4.42Å; L80-Y117 HydrophobicContact CD1-CD2 3.39Å; L80-Y117 HydrophobicContact CD1-CE2 3.77Å; L80-Y117 HydrophobicContact CD1-CG 3.75Å; L80-Y117 HydrophobicContact CG-CD2 4.4Å; L80-Y117 HydrophobicContact CG-CE2 4.48Å; L80-Y122 HydrophobicContact CD2-CD1 4.45Å; L80-Y122 HydrophobicContact CD2-CD2 4.17Å; L80-Y122 HydrophobicContact CD2-CE1 3.78Å; L80-Y122 HydrophobicContact CD2-CE2 3.45Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.45Å; L80-Y122 VanDerWaalsContact CD2-OH 3.31Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.29Å
81R97Very high96.9Very high68 Ų6867.4 Ų67.426%0.25737%0.372SS..Hα-helixtrans-52.8-42.1173.3-173.8-172.466.6-179.910.6111.9L77 N79 N85 Q86 E88L77-R81 WeakPolarHBondContact O-CB 3.28Å; L77-R81 PolarHBondContact O-N 2.88Å; L77-R81 VanDerWaalsContact O-N 3.15Å; N79-R81 PolarHBondContact O-N 3.37Å; R81-N85 PolarHBondContact O-N 2.88Å; R81-N85 VanDerWaalsContact O-N 3.14Å; R81-Q86 HydrophobicContact CG-CB 3.82Å; R81-Q86 WeakPolarHBondContact CG-O 3.44Å; R81-Q86 PolarHBondContact O-N 3.43Å; R81-E88 IonicContact CZ-OE1 2.72Å; R81-E88 VanDerWaalsContact CZ-OE1 3.29Å; R81-E88 IonicContact NH1-OE1 3.18Å; R81-E88 PolarHBondContact NH1-OE1 3.33Å; R81-E88 IonicContact NH2-OE1 3.67Å; R81-E88 PolarHBondContact NH2-OE1 2.97Å
82G97.2Very high97Very high45 Ų4563.2 Ų63.246%0.46435%0.352SS..Hα-helixtrans-66-45.1174.800000113.1R78 N79 L80 Y84 N85R78-G82 PolarHBondContact O-N 3.09Å; N79-G82 WeakPolarHBondContact O-CA 3.36Å; N79-G82 PolarHBondContact O-N 2.75Å; N79-G82 VanDerWaalsContact O-N 3.08Å; L80-G82 PolarHBondContact O-N 2.84Å; G82-Y84 VanDerWaalsContact C-N 3.28Å; G82-Y84 PolarHBondContact O-N 2.89Å; G82-N85 PolarHBondContact O-N 3.33Å
83Y97.9Very high97Very high53 Ų5362.4 Ų62.421%0.20835%0.345CS..Hα-helixtrans-62.5-35179.4-61.1-16.3000113N79 L80 I141 K145N79-Y83 HydrophobicContact CB-CE2 4.47Å; N79-Y83 WeakPolarHBondContact O-CD1 3.45Å; N79-Y83 PolarHBondContact O-N 2.93Å; L80-Y83 HydrophobicContact CD2-CD2 4.13Å; L80-Y83 PolarHBondContact O-N 2.94Å; Y83-I141 HydrophobicContact CD1-CD1 4.05Å; Y83-I141 HydrophobicContact CE1-CD1 4.36Å; Y83-I141 HydrophobicContact CE1-CG2 3.93Å; Y83-I141 HydrophobicContact CE2-CB 4.28Å; Y83-I141 HydrophobicContact CE2-CG2 4.15Å; Y83-I141 HydrophobicContact CG-CD1 4.18Å; Y83-K145 PolarHBondContact OH-NZ 3.46Å
84Y98Very high97Very high68 Ų6862.6 Ų62.627%0.26735%0.346SS..THydrogen-bonded Turntrans-93.64.9178.9-69-71.9000113.9L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.3Å; L80-Y84 VanDerWaalsContact O-CD2 3.26Å; L80-Y84 WeakPolarHBondContact O-CD2 3.2Å; L80-Y84 PolarHBondContact O-N 3.42Å; G82-Y84 VanDerWaalsContact C-N 3.28Å; G82-Y84 PolarHBondContact O-N 2.89Å; Y84-Q86 PolarHBondContact O-N 2.91Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.46Å; Y84-Y117 HydrophobicContact CD2-CE1 3.46Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.46Å; Y84-Y117 AromaticContact CE2-CD1 3.44Å; Y84-Y117 HydrophobicContact CE2-CD1 3.44Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.44Å; Y84-Y117 AromaticContact CE2-CE1 3.78Å; Y84-Y117 HydrophobicContact CE2-CE1 3.78Å; Y84-Y117 HydrophobicContact CE2-CG 4.45Å; Y84-Y117 HydrophobicContact CG-CE1 4.36Å; Y84-Y122 HydrophobicContact CE2-CD2 4.42Å; Y84-Y122 HydrophobicContact CE2-CE2 4.13Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.39Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.35Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.22Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.31Å; Y84-D136 VanDerWaalsContact OH-CG 3.26Å; Y84-D136 PolarHBondContact OH-OD1 2.95Å; Y84-D136 PolarHBondContact OH-OD2 2.92Å; Y84-A138 HydrophobicContact CD1-CB 4.2Å; Y84-A138 HydrophobicContact CD2-CB 4.41Å; Y84-A138 HydrophobicContact CE1-CB 3.65Å; Y84-A138 HydrophobicContact CE2-CB 3.88Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å
85N97.1Very high97.1Very high153 Ų15363.5 Ų63.582%0.81835%0.353SS*.THydrogen-bonded Turntrans52.239.5-177.8-56.5-61.7000113.5R81 G82R81-N85 PolarHBondContact O-N 2.88Å; R81-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-N 3.33Å
86Q97.4Very high97.1Very high58 Ų5862.3 Ų62.327%0.27134%0.34SS..  trans-87.8153.9-176.4-71.3164.3-34.900112.3R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.82Å; R81-Q86 WeakPolarHBondContact CG-O 3.44Å; R81-Q86 PolarHBondContact O-N 3.43Å; Y84-Q86 PolarHBondContact O-N 2.91Å; Q86-H92 PolarHBondContact NE2-CE1 2.82Å; Q86-H92 PolarHBondContact OE1-CE1 3.02Å; Q86-Y117 PolarHBondContact OE1-OH 3.21Å; Q86-D118 PolarHBondContact NE2-OD2 3.3Å
87S95.7Very high97.2Very high81 Ų8161.4 Ų61.457%0.56633%0.332SS*.  trans-68.3149.9178.2172.80000112.4A89 G90S87-A89 PolarHBondContact O-N 2.82Å; S87-A89 PolarHBondContact OG-N 3.23Å; S87-A89 VanDerWaalsContact OG-N 3.17Å; S87-G90 PolarHBondContact O-N 3.07Å
88E92.9Very high97.1Very high132 Ų13261.3 Ų61.362%0.61733%0.332SS*.THydrogen-bonded Turntrans-69.4-17.8173.2-53.4-153.1129.200113.9P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.41Å; P14-E88 WeakPolarHBondContact CG-O 3.18Å; R81-E88 IonicContact CZ-OE1 2.72Å; R81-E88 VanDerWaalsContact CZ-OE1 3.29Å; R81-E88 IonicContact NH1-OE1 3.18Å; R81-E88 PolarHBondContact NH1-OE1 3.33Å; R81-E88 IonicContact NH2-OE1 3.67Å; R81-E88 PolarHBondContact NH2-OE1 2.97Å; E88-G90 VanDerWaalsContact C-N 3.32Å
89A93.5Very high97.2Very high83 Ų8355.3 Ų55.369%0.68631%0.309SS*.THydrogen-bonded Turntrans-79.7-16.2-179.600000113.1S87S87-A89 PolarHBondContact O-N 2.82Å; S87-A89 PolarHBondContact OG-N 3.23Å; S87-A89 VanDerWaalsContact OG-N 3.17Å
90G94.4Very high97.3Very high26 Ų2652 Ų5227%0.26829%0.291SS..SBendtrans-75137-178.900000112.6P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.36Å; S87-G90 PolarHBondContact O-N 3.07Å; E88-G90 VanDerWaalsContact C-N 3.32Å; G90-H92 PolarHBondContact O-CD2 3.48Å; G90-H92 VanDerWaalsContact O-CD2 3.26Å
91S97.6Very high97.3Very high73 Ų7352.8 Ų52.851%0.5130%0.296SS..  trans-84.8131.2164.3178.90000108.8S12S12-S91 WeakPolarHBondContact O-CB 3.45Å; S12-S91 PolarHBondContact O-OG 3.31Å
92H98.4Very high97.3Very high18 Ų1849.7 Ų49.78%0.08328%0.284CS..  trans-131.4152.3-177.2-61.6-76.1000111.1S12 L77 Q86 G90 Y117 D118S12-H92 PolarHBondContact N-O 3.14Å; S12-H92 WeakPolarHBondContact OG-CA 3.35Å; S12-H92 PolarHBondContact OG-N 2.81Å; S12-H92 PolarHBondContact OG-O 2.8Å; L77-H92 HydrophobicContact CD2-CB 4.13Å; Q86-H92 PolarHBondContact NE2-CE1 2.82Å; Q86-H92 PolarHBondContact OE1-CE1 3.02Å; G90-H92 PolarHBondContact O-CD2 3.48Å; G90-H92 VanDerWaalsContact O-CD2 3.26Å; H92-Y117 HydrophobicContact CB-CE2 3.79Å; H92-Y117 WeakPolarHBondContact CB-OH 3.43Å; H92-Y117 AromaticContact ND1-CZ 3.94Å; H92-Y117 PolarHBondContact ND1-OH 3.14Å; H92-D118 WeakPolarHBondContact CA-OD1 3.23Å; H92-D118 WeakPolarHBondContact CB-OD1 3.12Å; H92-D118 IonicContact CE1-OD2 2.78Å; H92-D118 IonicContact CG-OD1 3.67Å; H92-D118 IonicContact CG-OD2 3.73Å; H92-D118 IonicContact ND1-OD1 3.66Å; H92-D118 IonicContact ND1-OD2 3.29Å; H92-D118 PolarHBondContact ND1-OD2 2.81Å
93I98.5Very high97.3Very high59 Ų5948 Ų4830%0.30327%0.267SS..EExtended strand (participates in β ladder)trans-124.3132.5-175.4-53.6-177.6000110.1T9 A10 V11 Q95 Y117 D118T9-I93 HydrophobicContact CG2-CG2 3.94Å; A10-I93 WeakPolarHBondContact O-CA 3.24Å; V11-I93 HydrophobicContact CB-CG1 4.49Å; V11-I93 HydrophobicContact CG1-CG1 4.15Å; V11-I93 HydrophobicContact CG2-CD1 4.28Å; V11-I93 HydrophobicContact CG2-CG1 4.08Å; V11-I93 HydrophobicContact CG2-CG2 4.24Å; I93-Q95 HydrophobicContact CG2-CG 3.95Å; I93-Y117 WeakPolarHBondContact O-CA 3.15Å; I93-Y117 VanDerWaalsContact O-CD2 3.24Å; I93-Y117 WeakPolarHBondContact O-CD2 3.31Å; I93-D118 PolarHBondContact N-OD1 3.44Å; I93-D118 PolarHBondContact O-N 3.17Å
94I98.4Very high97Very high10 Ų1051.3 Ų51.35%0.05130%0.295CS..EExtended strand (participates in β ladder)trans-108.2135.7161.9-64173000108.2T9 A10 L77 L80 A116 Y117T9-I94 WeakPolarHBondContact CA-O 3.39Å; A10-I94 PolarHBondContact N-O 2.96Å; A10-I94 PolarHBondContact O-N 2.71Å; L77-I94 HydrophobicContact CB-CD1 4.34Å; L77-I94 HydrophobicContact CD2-CD1 3.91Å; L77-I94 HydrophobicContact CD2-CG1 3.71Å; L77-I94 HydrophobicContact CG-CD1 3.65Å; L77-I94 HydrophobicContact CG-CG1 4Å; L80-I94 HydrophobicContact CD1-CD1 3.36Å; L80-I94 HydrophobicContact CD1-CG1 3.54Å; L80-I94 HydrophobicContact CG-CD1 4.48Å; I94-A116 WeakPolarHBondContact CA-O 3.48Å; I94-Y117 HydrophobicContact CG1-CD2 3.78Å; I94-Y117 HydrophobicContact CG1-CE2 4.23Å
95Q98.8Very high96.7Very high82 Ų8253 Ų5338%0.38331%0.308SS..EExtended strand (participates in β ladder)trans-121.4142.9170.1-63.1171-86.500109.2Y8 T9 I93 S115 A116Y8-Q95 VanDerWaalsContact O-CA 3.29Å; Y8-Q95 WeakPolarHBondContact O-CA 3.42Å; T9-Q95 HydrophobicContact CG2-CG 4.26Å; I93-Q95 HydrophobicContact CG2-CG 3.95Å; Q95-S115 CarbonylContact O-C 3.59Å; Q95-S115 WeakPolarHBondContact O-CA 3.38Å; Q95-A116 HydrophobicContact CB-CB 4.41Å; Q95-A116 PolarHBondContact N-O 3.15Å; Q95-A116 PolarHBondContact O-N 3.49Å
96R98.5Very high96.5Very high48 Ų4846.7 Ų46.718%0.18128%0.279CS..EExtended strand (participates in β ladder)trans-135135.3172.6178.3175.3174-159.25.9109.8F7 Y8 Q69 D113 Q114F7-R96 WeakPolarHBondContact CA-O 3.41Å; Y8-R96 HydrophobicContact CD2-CB 4.18Å; Y8-R96 HydrophobicContact CD2-CG 4.25Å; Y8-R96 PolarHBondContact N-O 3.47Å; Y8-R96 PolarHBondContact O-N 3.48Å; Q69-R96 VanDerWaalsContact OE1-NH1 3.1Å; R96-D113 IonicContact CZ-OD1 3.42Å; R96-D113 IonicContact NE-OD1 3.47Å; R96-D113 PolarHBondContact NE-OD1 3.2Å; R96-D113 IonicContact NE-OD2 3.74Å; R96-D113 IonicContact NH2-OD1 2.76Å; R96-D113 PolarHBondContact NH2-OD1 3.14Å; R96-D113 IonicContact NH2-OD2 3.7Å; R96-Q114 CarbonylContact C-O 3.5Å; R96-Q114 WeakPolarHBondContact CA-O 3.4Å
97M98.6Very high96.4Very high20 Ų2052.1 Ų52.110%0.09930%0.297CS..EExtended strand (participates in β ladder)trans-118.5127.4169.3-175.1-79.5-70.900108.4Y6 F7 Y112 D113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.31Å; F7-M97 HydrophobicContact CD1-CB 4.05Å; F7-M97 HydrophobicContact CD1-CG 3.72Å; F7-M97 HydrophobicContact CE1-CB 4.19Å; F7-M97 HydrophobicContact CE1-CG 3.45Å; F7-M97 VanDerWaalsContact CE1-CG 3.45Å; F7-M97 HydrophobicContact CZ-CG 4.12Å; M97-Y112 HydrophobicContact CE-CD1 4Å; M97-Y112 HydrophobicContact CE-CG 3.99Å; M97-Y112 HydrophobicContact SD-CG 4.46Å; M97-D113 WeakPolarHBondContact O-CA 3.38Å; M97-Q114 HydrophobicContact CB-CG 4.21Å; M97-Q114 HydrophobicContact CE-CG 3.94Å; M97-Q114 PolarHBondContact N-O 2.88Å; M97-Q114 PolarHBondContact O-N 2.7Å
98C98Very high96.5Very high6 Ų650.7 Ų50.74%0.04128%0.283CS..EExtended strand (participates in β ladder)trans-138.1151.6172.169.30000111.5R5 Y6 Y112 D113R5-C98 WeakPolarHBondContact CA-O 2.83Å; Y6-C98 PolarHBondContact N-O 2.99Å; Y6-C98 PolarHBondContact O-N 3.3Å; C98-Y112 WeakPolarHBondContact CA-O 3.23Å; C98-Y112 WeakPolarHBondContact CB-O 3.34Å; C98-D113 HydrophobicContact CB-CB 4.4Å; C98-D113 VanDerWaalsContact CB-OD1 3.3Å; C98-D113 WeakPolarHBondContact CB-OD1 3.26Å
99G98.4Very high96.7Very high0 Ų050.3 Ų50.30%029%0.285CS..EExtended strand (participates in β ladder)trans160.9-175.1-177.900000114.6M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.59Å; M4-G99 WeakPolarHBondContact O-CA 3.2Å; G99-G111 CarbonylContact O-C 3.54Å; G99-Y112 PolarHBondContact N-O 3.13Å; G99-Y112 PolarHBondContact O-N 3.27Å; G99-L159 WeakPolarHBondContact O-CD2 3.14Å
100C98.6Very high96.9Very high0 Ų050.9 Ų50.90%027%0.269CS..EExtended strand (participates in β ladder)trans-137.7147.6-174.752.60000111.3S3 M4 L108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.4Å; M4-C100 PolarHBondContact N-O 3.17Å; M4-C100 PolarHBondContact O-N 3.2Å; C100-L108 HydrophobicContact CB-CD1 3.61Å; C100-R110 CarbonylContact C-O 3.55Å; C100-R110 WeakPolarHBondContact CA-O 3.44Å; C100-C163 HydrophobicContact CB-CB 3.94Å; C100-C163 WeakPolarHBondContact CB-SG 3.45Å; C100-C163 PolarHBondContact N-SG 2.88Å; C100-C163 WeakPolarHBondContact SG-CB 3.21Å; C100-C163 CovalentContact SG-SG 2.05Å; C100-C163 PolarHBondContact SG-SG 2.86Å
101D98.4Very high97.1Very high25 Ų2549.8 Ų49.813%0.13426%0.258CS..EExtended strand (participates in β ladder)trans-109.6137.9171.9-60.7-12.2000109.3H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.55Å; H2-D101 WeakPolarHBondContact O-CA 3.29Å; S3-D101 WeakPolarHBondContact CB-OD1 3.49Å; R5-D101 IonicContact CZ-OD1 3.97Å; R5-D101 IonicContact NE-OD1 2.69Å; R5-D101 PolarHBondContact NE-OD1 3.07Å; R5-D101 IonicContact NH2-OD1 3.7Å; R5-D101 PolarHBondContact NH2-OD1 3.35Å; R5-D101 IonicContact NH2-OD2 2.75Å; R5-D101 PolarHBondContact NH2-OD2 2.91Å; R5-D101 VanDerWaalsContact NH2-OD2 3.16Å; D101-L109 HydrophobicContact CB-CB 4.42Å; D101-L109 PolarHBondContact O-N 2.85Å; D101-R110 PolarHBondContact N-O 3Å; D101-R110 PolarHBondContact O-N 3.24Å; D101-Y112 HydrophobicContact CB-CE2 4.48Å; D101-Y112 VanDerWaalsContact CG-CE2 3.49Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.39Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.29Å; D101-Y112 PolarHBondContact OD2-OH 3.27Å
102L97.9Very high97.1Very high3 Ų348 Ų482%0.01624%0.241CC..EExtended strand (participates in β ladder)trans-108.7135.4173.6-55.8-177.1000111S1 H2 R107 V164 L167 R168S1-L102 VanDerWaalsContact CA-O 3.3Å; S1-L102 WeakPolarHBondContact CA-O 3.36Å; S1-L102 VanDerWaalsContact CB-O 3.26Å; S1-L102 WeakPolarHBondContact CB-O 3.47Å; H2-L102 PolarHBondContact N-O 2.9Å; H2-L102 VanDerWaalsContact N-O 3.12Å; H2-L102 PolarHBondContact O-N 2.95Å; L102-R107 VanDerWaalsContact CA-O 3.26Å; L102-R107 WeakPolarHBondContact CA-O 3.35Å; L102-V164 HydrophobicContact CD2-CB 4.18Å; L102-V164 HydrophobicContact CD2-CG1 3.78Å; L102-V164 HydrophobicContact CD2-CG2 3.83Å; L102-L167 HydrophobicContact CD1-CB 4.28Å; L102-L167 HydrophobicContact CD1-CD2 3.66Å; L102-L167 HydrophobicContact CD1-CG 3.72Å; L102-L167 HydrophobicContact CG-CD2 3.57Å; L102-L167 HydrophobicContact CG-CG 4.23Å; L102-R168 HydrophobicContact CD1-CG 3.95Å
103G95.6Very high97.1Very high10 Ų1047.3 Ų47.310%0.10324%0.237CC..  trans-67.7173.8166.900000112.3D105 G106 R107G103-D105 PolarHBondContact O-N 2.8Å; G103-G106 WeakPolarHBondContact O-CA 3.18Å; G103-G106 PolarHBondContact O-N 3.23Å; G103-R107 PolarHBondContact N-O 3.43Å
104P92Very high97.1Very high122 Ų12248.3 Ų48.379%0.79224%0.241SC*.THydrogen-bonded Turntrans-59.6-26176.5-23.534.3000114G106P104-G106 PolarHBondContact O-N 3.22Å
105D92.7Very high97.1Very high104 Ų10448.7 Ų48.756%0.55624%0.244SC*.THydrogen-bonded Turntrans-791174.469.3-14.4000113.2G103 R107G103-D105 PolarHBondContact O-N 2.8Å; D105-R107 PolarHBondContact O-N 2.97Å; D105-R107 WeakPolarHBondContact OD1-CB 3.21Å; D105-R107 PolarHBondContact OD1-N 3.06Å; D105-R107 WeakPolarHBondContact OD2-CD 3.29Å; D105-R107 WeakPolarHBondContact OD2-CG 3.44Å; D105-R107 IonicContact OD2-NE 3.59Å
106G91.4Very high97.1Very high20 Ų2045.6 Ų45.621%0.20623%0.233CC..SBendtrans72.69.7-178.900000114G103 P104 R168G103-G106 WeakPolarHBondContact O-CA 3.18Å; G103-G106 PolarHBondContact O-N 3.23Å; P104-G106 PolarHBondContact O-N 3.22Å; G106-R168 VanDerWaalsContact O-CZ 3.25Å; G106-R168 PolarHBondContact O-NE 2.05Å; G106-R168 PolarHBondContact O-NH2 3.33Å
107R95.6Very high97.1Very high172 Ų17243.9 Ų43.965%0.64923%0.226SC*.SBendtrans-86.6155176.2-63.2-173.4-179167.6-2.7111.1L102 G103 D105 L109L102-R107 VanDerWaalsContact CA-O 3.26Å; L102-R107 WeakPolarHBondContact CA-O 3.35Å; G103-R107 PolarHBondContact N-O 3.43Å; D105-R107 PolarHBondContact O-N 2.97Å; D105-R107 WeakPolarHBondContact OD1-CB 3.21Å; D105-R107 PolarHBondContact OD1-N 3.06Å; D105-R107 WeakPolarHBondContact OD2-CD 3.29Å; D105-R107 WeakPolarHBondContact OD2-CG 3.44Å; D105-R107 IonicContact OD2-NE 3.59Å; R107-L109 PolarHBondContact O-N 2.9Å; R107-L109 VanDerWaalsContact O-N 3.14Å
108L97.8Very high97.1Very high52 Ų5246 Ų4627%0.27224%0.238SC..EExtended strand (participates in β ladder)trans-58.1119174.8-177.271.5000109.2C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.61Å; L108-R110 WeakPolarHBondContact CD1-O 3.42Å; L108-L129 HydrophobicContact CD2-CD1 4.24Å; L108-E160 HydrophobicContact CD2-CB 4.39Å; L108-E160 HydrophobicContact CD2-CG 3.68Å; L108-V164 HydrophobicContact CB-CG2 3.99Å; L108-V164 HydrophobicContact CD1-CG2 3.95Å
109L97.5Very high97.1Very high124 Ų12448.5 Ų48.565%0.64927%0.265SS*.EExtended strand (participates in β ladder)trans-90.1-45171.2-17963.9000110.1D101 R107D101-L109 HydrophobicContact CB-CB 4.42Å; D101-L109 PolarHBondContact O-N 2.85Å; R107-L109 PolarHBondContact O-N 2.9Å; R107-L109 VanDerWaalsContact O-N 3.14Å
110R97.4Very high97.1Very high94 Ų9456.1 Ų56.136%0.35530%0.298SS..EExtended strand (participates in β ladder)trans-157.5144.2-177.3-174.5163.6170.115210.4111.6C100 D101 L108 Y112 E127C100-R110 CarbonylContact C-O 3.55Å; C100-R110 WeakPolarHBondContact CA-O 3.44Å; D101-R110 PolarHBondContact N-O 3Å; D101-R110 PolarHBondContact O-N 3.24Å; L108-R110 WeakPolarHBondContact CD1-O 3.42Å; R110-Y112 HydrophobicContact CB-CE2 4.05Å; R110-Y112 VanDerWaalsContact CD-CZ 3.46Å; R110-Y112 VanDerWaalsContact CD-OH 3.25Å; R110-Y112 WeakPolarHBondContact CD-OH 3.37Å; R110-Y112 HydrophobicContact CG-CD2 4.41Å; R110-Y112 HydrophobicContact CG-CE1 4.08Å; R110-Y112 HydrophobicContact CG-CE2 3.73Å; R110-E127 VanDerWaalsContact CZ-CG 3.47Å; R110-E127 IonicContact CZ-OE1 2.8Å; R110-E127 IonicContact NH1-OE1 2.97Å; R110-E127 PolarHBondContact NH1-OE1 3.47Å; R110-E127 IonicContact NH1-OE2 2.66Å; R110-E127 VanDerWaalsContact NH2-CG 3.29Å; R110-E127 IonicContact NH2-OE1 3.82Å; R110-E127 PolarHBondContact NH2-OE1 2.87Å
111G98.3Very high97.1Very high4 Ų462.3 Ų62.34%0.04133%0.331CS..EExtended strand (participates in β ladder)trans-112.1154170.200000111.2G99G99-G111 CarbonylContact O-C 3.54Å
112Y98.4Very high97.1Very high36 Ų3661.7 Ų61.714%0.14133%0.327CS..EExtended strand (participates in β ladder)trans-135.4138.4-179-54.3-97.9000110.4R5 M97 C98 G99 D101 R110R5-Y112 VanDerWaalsContact NH2-CZ 3.29Å; R5-Y112 PolarHBondContact NH2-OH 2.91Å; M97-Y112 HydrophobicContact CE-CD1 4Å; M97-Y112 HydrophobicContact CE-CG 3.99Å; M97-Y112 HydrophobicContact SD-CG 4.46Å; C98-Y112 WeakPolarHBondContact CA-O 3.23Å; C98-Y112 WeakPolarHBondContact CB-O 3.34Å; G99-Y112 PolarHBondContact N-O 3.13Å; G99-Y112 PolarHBondContact O-N 3.27Å; D101-Y112 HydrophobicContact CB-CE2 4.48Å; D101-Y112 VanDerWaalsContact CG-CE2 3.49Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.39Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.29Å; D101-Y112 PolarHBondContact OD2-OH 3.27Å; R110-Y112 HydrophobicContact CB-CE2 4.05Å; R110-Y112 VanDerWaalsContact CD-CZ 3.46Å; R110-Y112 VanDerWaalsContact CD-OH 3.25Å; R110-Y112 WeakPolarHBondContact CD-OH 3.37Å; R110-Y112 HydrophobicContact CG-CD2 4.41Å; R110-Y112 HydrophobicContact CG-CE1 4.08Å; R110-Y112 HydrophobicContact CG-CE2 3.73Å
113D98.6Very high97.2Very high2 Ų261.8 Ų61.81%0.01133%0.327CS..EExtended strand (participates in β ladder)trans-149.7109.8159.6-170.183.6000107.8R96 M97 C98 L125 L155R96-D113 IonicContact CZ-OD1 3.42Å; R96-D113 IonicContact NE-OD1 3.47Å; R96-D113 PolarHBondContact NE-OD1 3.2Å; R96-D113 IonicContact NE-OD2 3.74Å; R96-D113 IonicContact NH2-OD1 2.76Å; R96-D113 PolarHBondContact NH2-OD1 3.14Å; R96-D113 IonicContact NH2-OD2 3.7Å; M97-D113 WeakPolarHBondContact O-CA 3.38Å; C98-D113 HydrophobicContact CB-CB 4.4Å; C98-D113 VanDerWaalsContact CB-OD1 3.3Å; C98-D113 WeakPolarHBondContact CB-OD1 3.26Å; D113-L125 HydrophobicContact CB-CB 4.03Å; D113-L125 HydrophobicContact CB-CD2 4.25Å; D113-L125 WeakPolarHBondContact O-CB 3.41Å; D113-L125 PolarHBondContact O-N 3.23Å; D113-L155 HydrophobicContact CB-CD1 4.14Å
114Q98.6Very high97.3Very high81 Ų8162.7 Ų62.738%0.37933%0.334SS..EExtended strand (participates in β ladder)trans-141.8143.8-177.766-167.237.800110.8R96 M97 I123 A124R96-Q114 CarbonylContact C-O 3.5Å; R96-Q114 WeakPolarHBondContact CA-O 3.4Å; M97-Q114 HydrophobicContact CB-CG 4.21Å; M97-Q114 HydrophobicContact CE-CG 3.94Å; M97-Q114 PolarHBondContact N-O 2.88Å; M97-Q114 PolarHBondContact O-N 2.7Å; Q114-I123 WeakPolarHBondContact CA-O 3.32Å; Q114-A124 HydrophobicContact CB-CB 3.83Å
115S98.7Very high97.7Very high17 Ų1757.5 Ų57.512%0.11930%0.3CS..EExtended strand (participates in β ladder)trans-126.6146.2-178.5-56.80000111.1Q95 Y122 I123Q95-S115 CarbonylContact O-C 3.59Å; Q95-S115 WeakPolarHBondContact O-CA 3.38Å; S115-Y122 WeakPolarHBondContact O-CB 3.05Å; S115-Y122 PolarHBondContact O-N 2.84Å; S115-I123 PolarHBondContact N-O 2.83Å; S115-I123 PolarHBondContact O-N 3.32Å
116A98.8Very high97.9Very high17 Ų1754.7 Ų54.714%0.1429%0.285CS..EExtended strand (participates in β ladder)trans-124.4149.9174.400000110.4I94 Q95 K120I94-A116 WeakPolarHBondContact CA-O 3.48Å; Q95-A116 HydrophobicContact CB-CB 4.41Å; Q95-A116 PolarHBondContact N-O 3.15Å; Q95-A116 PolarHBondContact O-N 3.49Å; A116-K120 CarbonylContact C-O 3.56Å; A116-K120 WeakPolarHBondContact CA-O 3.37Å; A116-K120 VanDerWaalsContact CB-O 3.23Å; A116-K120 WeakPolarHBondContact CB-O 3.42Å
117Y98.8Very high98.2Very high12 Ų1260 Ų605%0.04730%0.304CS..EExtended strand (participates in β ladder)trans-126.4127.1175.4-174.6-123.3000110.1L77 L80 Y84 Q86 H92 I93 I94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.23Å; L80-Y117 HydrophobicContact CB-CD1 4.36Å; L80-Y117 HydrophobicContact CB-CD2 4.23Å; L80-Y117 HydrophobicContact CB-CE1 3.99Å; L80-Y117 HydrophobicContact CB-CE2 3.87Å; L80-Y117 HydrophobicContact CB-CG 4.45Å; L80-Y117 HydrophobicContact CD1-CD1 4.42Å; L80-Y117 HydrophobicContact CD1-CD2 3.39Å; L80-Y117 HydrophobicContact CD1-CE2 3.77Å; L80-Y117 HydrophobicContact CD1-CG 3.75Å; L80-Y117 HydrophobicContact CG-CD2 4.4Å; L80-Y117 HydrophobicContact CG-CE2 4.48Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.46Å; Y84-Y117 HydrophobicContact CD2-CE1 3.46Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.46Å; Y84-Y117 AromaticContact CE2-CD1 3.44Å; Y84-Y117 HydrophobicContact CE2-CD1 3.44Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.44Å; Y84-Y117 AromaticContact CE2-CE1 3.78Å; Y84-Y117 HydrophobicContact CE2-CE1 3.78Å; Y84-Y117 HydrophobicContact CE2-CG 4.45Å; Y84-Y117 HydrophobicContact CG-CE1 4.36Å; Q86-Y117 PolarHBondContact OE1-OH 3.21Å; H92-Y117 HydrophobicContact CB-CE2 3.79Å; H92-Y117 WeakPolarHBondContact CB-OH 3.43Å; H92-Y117 AromaticContact ND1-CZ 3.94Å; H92-Y117 PolarHBondContact ND1-OH 3.14Å; I93-Y117 WeakPolarHBondContact O-CA 3.15Å; I93-Y117 VanDerWaalsContact O-CD2 3.24Å; I93-Y117 WeakPolarHBondContact O-CD2 3.31Å; I94-Y117 HydrophobicContact CG1-CD2 3.78Å; I94-Y117 HydrophobicContact CG1-CE2 4.23Å; Y117-G119 PolarHBondContact O-N 3.02Å; Y117-G119 VanDerWaalsContact O-N 3.17Å; Y117-K120 PolarHBondContact N-O 2.76Å; Y117-K120 PolarHBondContact O-N 3.44Å
118D98.4Very high98.3Very high64 Ų6455.5 Ų55.534%0.34229%0.293SS..THydrogen-bonded Turntrans48.740.3-175.3-65.5-20.5000113.1Q86 H92 I93 K120Q86-D118 PolarHBondContact NE2-OD2 3.3Å; H92-D118 WeakPolarHBondContact CA-OD1 3.23Å; H92-D118 WeakPolarHBondContact CB-OD1 3.12Å; H92-D118 IonicContact CE1-OD2 2.78Å; H92-D118 IonicContact CG-OD1 3.67Å; H92-D118 IonicContact CG-OD2 3.73Å; H92-D118 IonicContact ND1-OD1 3.66Å; H92-D118 IonicContact ND1-OD2 3.29Å; H92-D118 PolarHBondContact ND1-OD2 2.81Å; I93-D118 PolarHBondContact N-OD1 3.44Å; I93-D118 PolarHBondContact O-N 3.17Å; D118-K120 VanDerWaalsContact C-N 3.32Å; D118-K120 PolarHBondContact O-N 3.18Å
119G97.6Very high98.4Very high59 Ų5953.4 Ų53.461%0.60828%0.282SS*.THydrogen-bonded Turntrans795.8177.500000115.5Y117Y117-G119 PolarHBondContact O-N 3.02Å; Y117-G119 VanDerWaalsContact O-N 3.17Å
120K98.6Very high98.4Very high160 Ų16055.3 Ų55.370%0.69628%0.281SS*.EExtended strand (participates in β ladder)trans-112.8144.3176.6-63.1-179.2-178.4178.30110.9A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.56Å; A116-K120 WeakPolarHBondContact CA-O 3.37Å; A116-K120 VanDerWaalsContact CB-O 3.23Å; A116-K120 WeakPolarHBondContact CB-O 3.42Å; Y117-K120 PolarHBondContact N-O 2.76Å; Y117-K120 PolarHBondContact O-N 3.44Å; D118-K120 VanDerWaalsContact C-N 3.32Å; D118-K120 PolarHBondContact O-N 3.18Å; K120-Y122 PolarHBondContact O-N 2.94Å
121D98.7Very high98.4Very high131 Ų13152.9 Ų52.970%0.70128%0.278SS*.EExtended strand (participates in β ladder)trans-52.2134.6173.5-69.7-22.1000110.6A135D121-A135 HydrophobicContact CB-CB 4.46Å; D121-A135 WeakPolarHBondContact O-CB 3.48Å
122Y98.8Very high98.4Very high12 Ų1253.2 Ų53.25%0.04728%0.278CS..EExtended strand (participates in β ladder)trans-114.3-61.7-179.6179.4-109.5000110.4L80 Y84 S115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.45Å; L80-Y122 HydrophobicContact CD2-CD2 4.17Å; L80-Y122 HydrophobicContact CD2-CE1 3.78Å; L80-Y122 HydrophobicContact CD2-CE2 3.45Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.45Å; L80-Y122 VanDerWaalsContact CD2-OH 3.31Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.29Å; Y84-Y122 HydrophobicContact CE2-CD2 4.42Å; Y84-Y122 HydrophobicContact CE2-CE2 4.13Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.39Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.35Å; S115-Y122 WeakPolarHBondContact O-CB 3.05Å; S115-Y122 PolarHBondContact O-N 2.84Å; K120-Y122 PolarHBondContact O-N 2.94Å; Y122-A135 WeakPolarHBondContact O-CB 3.35Å; Y122-A135 PolarHBondContact O-N 3.29Å; Y122-A138 HydrophobicContact CE2-CB 4.44Å; Y122-A138 PolarHBondContact OH-O 3.37Å; Y122-A138 VanDerWaalsContact OH-O 3.07Å; Y122-A139 HydrophobicContact CD2-CB 3.84Å; Y122-A139 HydrophobicContact CE1-CB 4.45Å; Y122-A139 VanDerWaalsContact CE2-CA 3.47Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.3Å; Y122-A139 VanDerWaalsContact CZ-CA 3.49Å; Y122-A139 WeakPolarHBondContact O-CB 3.31Å; Y122-T142 HydrophobicContact CE1-CG2 4.23Å; Y122-T142 WeakPolarHBondContact OH-CB 3.44Å; Y122-T142 PolarHBondContact OH-OG1 2.91Å
123I98.8Very high98.5Very high4 Ų455.2 Ų55.22%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-150.8141.1179.4-162.1170.5000110.4Q114 S115 W132 T133 T142 Q143 W146Q114-I123 WeakPolarHBondContact CA-O 3.32Å; S115-I123 PolarHBondContact N-O 2.83Å; S115-I123 PolarHBondContact O-N 3.32Å; I123-W132 HydrophobicContact CD1-CB 4.33Å; I123-W132 HydrophobicContact CD1-CD2 4.44Å; I123-W132 HydrophobicContact CD1-CE3 4.24Å; I123-W132 HydrophobicContact CG1-CB 4.38Å; I123-W132 HydrophobicContact CG1-CE3 4.06Å; I123-T133 WeakPolarHBondContact CA-O 3.48Å; I123-T142 HydrophobicContact CD1-CG2 4.22Å; I123-Q143 HydrophobicContact CD1-CB 3.96Å; I123-W146 HydrophobicContact CD1-CE3 4.04Å; I123-W146 HydrophobicContact CD1-CZ3 4.28Å; I123-W146 HydrophobicContact CG2-CH2 4.07Å; I123-W146 HydrophobicContact CG2-CZ3 3.76Å
124A98.8Very high98.5Very high29 Ų2956.2 Ų56.224%0.2430%0.302CS..EExtended strand (participates in β ladder)trans-134.3138.4178.500000111.5Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.83Å; A124-W132 CarbonylContact O-C 3.55Å; A124-W132 WeakPolarHBondContact O-CA 3.45Å; A124-T133 PolarHBondContact N-O 3.16Å; A124-T133 PolarHBondContact O-N 2.85Å
125L98.8Very high98.5Very high14 Ų1455.2 Ų55.27%0.07331%0.308CS..EExtended strand (participates in β ladder)trans-71126.3167.7-175.267.5000108.3D113 L129 W132 A152 L155 L159D113-L125 HydrophobicContact CB-CB 4.03Å; D113-L125 HydrophobicContact CB-CD2 4.25Å; D113-L125 WeakPolarHBondContact O-CB 3.41Å; D113-L125 PolarHBondContact O-N 3.23Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.79Å; L125-L129 HydrophobicContact CG-CD2 4.34Å; L125-W132 HydrophobicContact CB-CE3 4.01Å; L125-W132 HydrophobicContact CB-CH2 4.14Å; L125-W132 HydrophobicContact CB-CZ3 3.63Å; L125-W132 HydrophobicContact CD1-CD2 4.2Å; L125-W132 HydrophobicContact CD1-CE3 4.23Å; L125-W132 HydrophobicContact CD1-CH2 4.02Å; L125-W132 HydrophobicContact CD1-CZ2 3.96Å; L125-W132 HydrophobicContact CD1-CZ3 4.12Å; L125-W132 HydrophobicContact CG-CZ3 4.46Å; L125-A152 HydrophobicContact CD1-CB 3.94Å; L125-L155 HydrophobicContact CD2-CB 4.18Å; L125-L155 HydrophobicContact CD2-CD1 4.44Å; L125-L159 HydrophobicContact CD2-CD1 3.95Å
126N98.6Very high98.4Very high45 Ų4556.9 Ų56.924%0.24132%0.315CS..  trans-70.1163.1179.4-67.5-27.9000111.1D128 L129 S131 T133N126-D128 PolarHBondContact O-N 3.04Å; N126-L129 PolarHBondContact O-N 3.4Å; N126-S131 WeakPolarHBondContact CB-O 3.19Å; N126-S131 WeakPolarHBondContact CB-OG 3.41Å; N126-S131 PolarHBondContact N-O 3.41Å; N126-S131 PolarHBondContact ND2-OG 3.29Å; N126-T133 WeakPolarHBondContact OD1-CB 3.36Å; N126-T133 PolarHBondContact OD1-N 3.06Å; N126-T133 PolarHBondContact OD1-OG1 2.78Å
127E97.6Very high98.4Very high130 Ų13061.3 Ų61.361%0.60734%0.341SS*.THydrogen-bonded Turntrans-59.4-21.8-179-66.9-179.2-160.600113.7R110 L129R110-E127 VanDerWaalsContact CZ-CG 3.47Å; R110-E127 IonicContact CZ-OE1 2.8Å; R110-E127 IonicContact NH1-OE1 2.97Å; R110-E127 PolarHBondContact NH1-OE1 3.47Å; R110-E127 IonicContact NH1-OE2 2.66Å; R110-E127 VanDerWaalsContact NH2-CG 3.29Å; R110-E127 IonicContact NH2-OE1 3.82Å; R110-E127 PolarHBondContact NH2-OE1 2.87Å; E127-L129 PolarHBondContact O-N 3.21Å
128D97.8Very high98.4Very high78 Ų7861 Ų6142%0.41734%0.34SS..THydrogen-bonded Turntrans-70.5-8.9174.4702.8000113.8N126 R130 S131N126-D128 PolarHBondContact O-N 3.04Å; D128-R130 WeakPolarHBondContact O-CG 3.49Å; D128-R130 PolarHBondContact O-N 2.63Å; D128-R130 PolarHBondContact OD1-N 2.98Å; D128-S131 VanDerWaalsContact CG-OG 3.23Å; D128-S131 PolarHBondContact OD1-N 2.62Å; D128-S131 PolarHBondContact OD1-OG 2.83Å; D128-S131 VanDerWaalsContact OD1-OG 3.13Å; D128-S131 WeakPolarHBondContact OD2-CB 3.35Å; D128-S131 PolarHBondContact OD2-OG 2.94Å
129L98.1Very high98.4Very high9 Ų957.9 Ų57.95%0.04732%0.324CS..SBendtrans54.228.6-175.3-52.5-178.3000113.5L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.24Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.79Å; L125-L129 HydrophobicContact CG-CD2 4.34Å; N126-L129 PolarHBondContact O-N 3.4Å; E127-L129 PolarHBondContact O-N 3.21Å; L129-R156 HydrophobicContact CB-CB 4.09Å; L129-R156 HydrophobicContact CB-CG 3.88Å; L129-R156 HydrophobicContact CD1-CG 4.23Å; L129-L159 HydrophobicContact CD1-CB 4.48Å; L129-L159 HydrophobicContact CD2-CD1 3.95Å; L129-E160 HydrophobicContact CD1-CG 4.24Å
130R97.8Very high98.4Very high164 Ų16458.8 Ų58.862%0.61931%0.312SS*.SBendtrans-136.1-32.1-173.5-71.1169.3-176.3-103.913.9112.9D128 A152 R156D128-R130 WeakPolarHBondContact O-CG 3.49Å; D128-R130 PolarHBondContact O-N 2.63Å; D128-R130 PolarHBondContact OD1-N 2.98Å; R130-A152 WeakPolarHBondContact O-CB 3.2Å; R130-R156 VanDerWaalsContact CZ-NH1 3.26Å
131S98.2Very high98.4Very high42 Ų4254 Ų5429%0.29429%0.294SS..  trans-116.5164.6-177.164.50000111.8N126 D128N126-S131 WeakPolarHBondContact CB-O 3.19Å; N126-S131 WeakPolarHBondContact CB-OG 3.41Å; N126-S131 PolarHBondContact N-O 3.41Å; N126-S131 PolarHBondContact ND2-OG 3.29Å; D128-S131 VanDerWaalsContact CG-OG 3.23Å; D128-S131 PolarHBondContact OD1-N 2.62Å; D128-S131 PolarHBondContact OD1-OG 2.83Å; D128-S131 VanDerWaalsContact OD1-OG 3.13Å; D128-S131 WeakPolarHBondContact OD2-CB 3.35Å; D128-S131 PolarHBondContact OD2-OG 2.94Å
132W98.8Very high98.4Very high12 Ų1248.6 Ų48.65%0.04527%0.265CS..EExtended strand (participates in β ladder)trans-120.2144.6-175.8-60.495.8000110.9I123 A124 L125 Q143 W146 E151 A152 L155I123-W132 HydrophobicContact CD1-CB 4.33Å; I123-W132 HydrophobicContact CD1-CD2 4.44Å; I123-W132 HydrophobicContact CD1-CE3 4.24Å; I123-W132 HydrophobicContact CG1-CB 4.38Å; I123-W132 HydrophobicContact CG1-CE3 4.06Å; A124-W132 CarbonylContact O-C 3.55Å; A124-W132 WeakPolarHBondContact O-CA 3.45Å; L125-W132 HydrophobicContact CB-CE3 4.01Å; L125-W132 HydrophobicContact CB-CH2 4.14Å; L125-W132 HydrophobicContact CB-CZ3 3.63Å; L125-W132 HydrophobicContact CD1-CD2 4.2Å; L125-W132 HydrophobicContact CD1-CE3 4.23Å; L125-W132 HydrophobicContact CD1-CH2 4.02Å; L125-W132 HydrophobicContact CD1-CZ2 3.96Å; L125-W132 HydrophobicContact CD1-CZ3 4.12Å; L125-W132 HydrophobicContact CG-CZ3 4.46Å; W132-Q143 HydrophobicContact CB-CG 4.07Å; W132-W146 AromaticContact CD2-CE3 3.96Å; W132-W146 HydrophobicContact CD2-CE3 3.96Å; W132-W146 HydrophobicContact CD2-CZ3 4.5Å; W132-W146 AromaticContact CE2-CE3 3.76Å; W132-W146 AromaticContact CE3-CE3 3.82Å; W132-W146 HydrophobicContact CE3-CE3 3.82Å; W132-W146 AromaticContact CE3-CZ3 3.9Å; W132-W146 HydrophobicContact CE3-CZ3 3.9Å; W132-W146 HydrophobicContact CH2-CD2 4.37Å; W132-W146 AromaticContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CH2 4.39Å; W132-W146 AromaticContact CH2-CZ3 3.26Å; W132-W146 HydrophobicContact CH2-CZ3 3.26Å; W132-W146 HydrophobicContact CZ2-CB 4.49Å; W132-W146 HydrophobicContact CZ2-CD2 4.28Å; W132-W146 AromaticContact CZ2-CE3 3.41Å; W132-W146 HydrophobicContact CZ2-CE3 3.41Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.41Å; W132-W146 AromaticContact CZ2-CZ3 3.96Å; W132-W146 HydrophobicContact CZ2-CZ3 3.96Å; W132-W146 AromaticContact CZ3-CE3 3.49Å; W132-W146 HydrophobicContact CZ3-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.49Å; W132-W146 HydrophobicContact CZ3-CH2 4.48Å; W132-W146 AromaticContact CZ3-CZ3 3.26Å; W132-W146 HydrophobicContact CZ3-CZ3 3.26Å; W132-E151 HydrophobicContact CZ2-CB 4.26Å; W132-A152 HydrophobicContact CZ2-CB 4.2Å; W132-L155 HydrophobicContact CH2-CD1 3.36Å; W132-L155 HydrophobicContact CZ2-CD1 3.88Å; W132-L155 HydrophobicContact CZ3-CD1 4.44Å
133T98.8Very high98.4Very high78 Ų7849.9 Ų49.948%0.47927%0.272SS..EExtended strand (participates in β ladder)trans-106.1116.8163.5-66.10000108.7I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.48Å; A124-T133 PolarHBondContact N-O 3.16Å; A124-T133 PolarHBondContact O-N 2.85Å; N126-T133 WeakPolarHBondContact OD1-CB 3.36Å; N126-T133 PolarHBondContact OD1-N 3.06Å; N126-T133 PolarHBondContact OD1-OG1 2.78Å
134A98.7Very high98.4Very high22 Ų2257.1 Ų57.118%0.18230%0.299CS..EExtended strand (participates in β ladder)trans-97.2130.3175.300000110.1A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.7Å; A134-Q140 HydrophobicContact CB-CG 3.95Å; A134-Q143 HydrophobicContact CB-CB 4.43Å
135A98.5Very high98.4Very high60 Ų6061.1 Ų61.150%0.49631%0.311SS..SBendtrans-73.2-30.2-175.300000113.5D121 Y122D121-A135 HydrophobicContact CB-CB 4.46Å; D121-A135 WeakPolarHBondContact O-CB 3.48Å; Y122-A135 WeakPolarHBondContact O-CB 3.35Å; Y122-A135 PolarHBondContact O-N 3.29Å
136D98.4Very high98.3Very high52 Ų5263.7 Ų63.728%0.27832%0.32SS..SBendtrans-152.1-176.3-178.566.229000112.9Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.22Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.31Å; Y84-D136 VanDerWaalsContact OH-CG 3.26Å; Y84-D136 PolarHBondContact OH-OD1 2.95Å; Y84-D136 PolarHBondContact OH-OD2 2.92Å; D136-A138 VanDerWaalsContact C-N 3.27Å; D136-A138 PolarHBondContact O-N 2.93Å; D136-A138 WeakPolarHBondContact OD1-CA 3.48Å; D136-A138 WeakPolarHBondContact OD1-CB 3.48Å; D136-A138 PolarHBondContact OD1-N 2.76Å; D136-A139 PolarHBondContact O-N 3.24Å; D136-A139 PolarHBondContact OD1-N 2.82Å; D136-Q140 WeakPolarHBondContact O-CG 3.37Å; D136-Q140 PolarHBondContact O-N 3.43Å
137T98.3Very high98.3Very high111 Ų11166.2 Ų66.268%0.68133%0.33SS*.Hα-helixtrans-64.6-27.9179.951.60000113.8
138A98.1Very high98.4Very high4 Ų464.2 Ų64.23%0.03334%0.336CS..Hα-helixtrans-74.1-39.2175.600000110.7Y84 Y122 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.2Å; Y84-A138 HydrophobicContact CD2-CB 4.41Å; Y84-A138 HydrophobicContact CE1-CB 3.65Å; Y84-A138 HydrophobicContact CE2-CB 3.88Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å; Y122-A138 HydrophobicContact CE2-CB 4.44Å; Y122-A138 PolarHBondContact OH-O 3.37Å; Y122-A138 VanDerWaalsContact OH-O 3.07Å; D136-A138 VanDerWaalsContact C-N 3.27Å; D136-A138 PolarHBondContact O-N 2.93Å; D136-A138 WeakPolarHBondContact OD1-CA 3.48Å; D136-A138 WeakPolarHBondContact OD1-CB 3.48Å; D136-A138 PolarHBondContact OD1-N 2.76Å; A138-Q140 VanDerWaalsContact C-N 3.33Å; A138-I141 WeakPolarHBondContact O-CB 3.3Å; A138-I141 PolarHBondContact O-N 3.36Å
139A98.5Very high98.4Very high0 Ų062.9 Ų62.90%034%0.336CS..Hα-helixtrans-64-35.4172.200000112.9Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.84Å; Y122-A139 HydrophobicContact CE1-CB 4.45Å; Y122-A139 VanDerWaalsContact CE2-CA 3.47Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.3Å; Y122-A139 VanDerWaalsContact CZ-CA 3.49Å; Y122-A139 WeakPolarHBondContact O-CB 3.31Å; A134-A139 HydrophobicContact CB-CB 3.7Å; D136-A139 PolarHBondContact O-N 3.24Å; D136-A139 PolarHBondContact OD1-N 2.82Å; A139-I141 PolarHBondContact O-N 2.92Å; A139-T142 WeakPolarHBondContact O-CA 3.29Å; A139-T142 WeakPolarHBondContact O-CB 3.38Å; A139-T142 PolarHBondContact O-N 2.72Å; A139-Q143 PolarHBondContact O-N 2.76Å
140Q98.7Very high98.4Very high77 Ų7770 Ų7036%0.3636%0.362SS..Hα-helixtrans-60.3-28.7174.3-72.9173.88.400113.1A134 D136 A138 R144A134-Q140 HydrophobicContact CB-CG 3.95Å; D136-Q140 WeakPolarHBondContact O-CG 3.37Å; D136-Q140 PolarHBondContact O-N 3.43Å; A138-Q140 VanDerWaalsContact C-N 3.33Å; Q140-R144 WeakPolarHBondContact O-CG 3.19Å; Q140-R144 PolarHBondContact O-N 3.12Å; Q140-R144 VanDerWaalsContact O-N 3.1Å
141I98.4Very high98.4Very high60 Ų6065.1 Ų65.131%0.30835%0.346SS..Hα-helixtrans-64.9-44.4173.8-59.5169.7000109.9Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.05Å; Y83-I141 HydrophobicContact CE1-CD1 4.36Å; Y83-I141 HydrophobicContact CE1-CG2 3.93Å; Y83-I141 HydrophobicContact CE2-CB 4.28Å; Y83-I141 HydrophobicContact CE2-CG2 4.15Å; Y83-I141 HydrophobicContact CG-CD1 4.18Å; A138-I141 WeakPolarHBondContact O-CB 3.3Å; A138-I141 PolarHBondContact O-N 3.36Å; A139-I141 PolarHBondContact O-N 2.92Å; I141-K145 WeakPolarHBondContact O-CG 3.2Å; I141-K145 PolarHBondContact O-N 2.72Å
142T98.4Very high98.4Very high17 Ų1763.5 Ų63.510%0.10434%0.336CS..Hα-helixtrans-66.8-43.8176.5-65.50000111.2Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.23Å; Y122-T142 WeakPolarHBondContact OH-CB 3.44Å; Y122-T142 PolarHBondContact OH-OG1 2.91Å; I123-T142 HydrophobicContact CD1-CG2 4.22Å; A139-T142 WeakPolarHBondContact O-CA 3.29Å; A139-T142 WeakPolarHBondContact O-CB 3.38Å; A139-T142 PolarHBondContact O-N 2.72Å; T142-R144 PolarHBondContact O-N 3.34Å; T142-K145 WeakPolarHBondContact O-CB 3.4Å; T142-K145 PolarHBondContact O-N 2.84Å; T142-K145 VanDerWaalsContact O-N 3.09Å; T142-W146 HydrophobicContact CG2-CD2 3.8Å; T142-W146 HydrophobicContact CG2-CE3 4.31Å; T142-W146 HydrophobicContact CG2-CG 4.15Å; T142-W146 HydrophobicContact CG2-CZ2 4Å; T142-W146 PolarHBondContact O-N 3.2Å
143Q98.6Very high98.3Very high40 Ų4068.4 Ų68.419%0.18736%0.359CS..Hα-helixtrans-51.5-52.3175.1177.2176.27.800111.7I123 W132 A134 A139 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.96Å; W132-Q143 HydrophobicContact CB-CG 4.07Å; A134-Q143 HydrophobicContact CB-CB 4.43Å; A139-Q143 PolarHBondContact O-N 2.76Å; Q143-K145 VanDerWaalsContact C-N 3.28Å; Q143-K145 PolarHBondContact O-N 2.85Å; Q143-W146 PolarHBondContact O-N 3.32Å; Q143-W146 VanDerWaalsContact O-N 3.13Å; Q143-E147 HydrophobicContact CG-CG 4.29Å; Q143-E147 VanDerWaalsContact CG-OE1 3.27Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.44Å; Q143-E147 PolarHBondContact NE2-OE1 2.95Å; Q143-E147 WeakPolarHBondContact O-CB 3.18Å; Q143-E147 WeakPolarHBondContact O-CG 3.06Å; Q143-E147 PolarHBondContact O-N 2.84Å
144R98.6Very high98.2Very high156 Ų15670.7 Ų70.759%0.58936%0.364SS*.Hα-helixtrans-59.5-38.3179.5-68.9171.1-165.9153.57.8112.6Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.19Å; Q140-R144 PolarHBondContact O-N 3.12Å; Q140-R144 VanDerWaalsContact O-N 3.1Å; T142-R144 PolarHBondContact O-N 3.34Å; R144-A148 WeakPolarHBondContact O-CB 3.43Å; R144-A148 PolarHBondContact O-N 3.19Å
145K98.1Very high98.2Very high113 Ų11370.8 Ų70.849%0.49136%0.361SS..Hα-helixtrans-66.1-44.7176.4-71.5177.4176.7-175.80111.1Y83 I141 T142 Q143 A148 A149Y83-K145 PolarHBondContact OH-NZ 3.46Å; I141-K145 WeakPolarHBondContact O-CG 3.2Å; I141-K145 PolarHBondContact O-N 2.72Å; T142-K145 WeakPolarHBondContact O-CB 3.4Å; T142-K145 PolarHBondContact O-N 2.84Å; T142-K145 VanDerWaalsContact O-N 3.09Å; Q143-K145 VanDerWaalsContact C-N 3.28Å; Q143-K145 PolarHBondContact O-N 2.85Å; K145-A148 PolarHBondContact O-N 3.24Å; K145-A149 WeakPolarHBondContact O-CB 3.45Å; K145-A149 PolarHBondContact O-N 3.08Å
146W98.3Very high98.2Very high67 Ų6771.2 Ų71.225%0.25435%0.35SS..Hα-helixtrans-69.7-36.4-179.1-74.66.2000112.7I123 W132 T142 Q143 A149 R150 E151I123-W146 HydrophobicContact CD1-CE3 4.04Å; I123-W146 HydrophobicContact CD1-CZ3 4.28Å; I123-W146 HydrophobicContact CG2-CH2 4.07Å; I123-W146 HydrophobicContact CG2-CZ3 3.76Å; W132-W146 AromaticContact CD2-CE3 3.96Å; W132-W146 HydrophobicContact CD2-CE3 3.96Å; W132-W146 HydrophobicContact CD2-CZ3 4.5Å; W132-W146 AromaticContact CE2-CE3 3.76Å; W132-W146 AromaticContact CE3-CE3 3.82Å; W132-W146 HydrophobicContact CE3-CE3 3.82Å; W132-W146 AromaticContact CE3-CZ3 3.9Å; W132-W146 HydrophobicContact CE3-CZ3 3.9Å; W132-W146 HydrophobicContact CH2-CD2 4.37Å; W132-W146 AromaticContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CH2 4.39Å; W132-W146 AromaticContact CH2-CZ3 3.26Å; W132-W146 HydrophobicContact CH2-CZ3 3.26Å; W132-W146 HydrophobicContact CZ2-CB 4.49Å; W132-W146 HydrophobicContact CZ2-CD2 4.28Å; W132-W146 AromaticContact CZ2-CE3 3.41Å; W132-W146 HydrophobicContact CZ2-CE3 3.41Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.41Å; W132-W146 AromaticContact CZ2-CZ3 3.96Å; W132-W146 HydrophobicContact CZ2-CZ3 3.96Å; W132-W146 AromaticContact CZ3-CE3 3.49Å; W132-W146 HydrophobicContact CZ3-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.49Å; W132-W146 HydrophobicContact CZ3-CH2 4.48Å; W132-W146 AromaticContact CZ3-CZ3 3.26Å; W132-W146 HydrophobicContact CZ3-CZ3 3.26Å; T142-W146 HydrophobicContact CG2-CD2 3.8Å; T142-W146 HydrophobicContact CG2-CE3 4.31Å; T142-W146 HydrophobicContact CG2-CG 4.15Å; T142-W146 HydrophobicContact CG2-CZ2 4Å; T142-W146 PolarHBondContact O-N 3.2Å; Q143-W146 PolarHBondContact O-N 3.32Å; Q143-W146 VanDerWaalsContact O-N 3.13Å; W146-A149 CarbonylContact O-C 3.58Å; W146-A149 PolarHBondContact O-N 3.03Å; W146-R150 WeakPolarHBondContact O-CA 3.46Å; W146-R150 PolarHBondContact O-N 3.19Å; W146-E151 HydrophobicContact CB-CB 3.99Å; W146-E151 HydrophobicContact CB-CG 3.89Å; W146-E151 HydrophobicContact CD2-CG 4.49Å; W146-E151 HydrophobicContact CG-CB 4.16Å; W146-E151 HydrophobicContact CG-CG 3.83Å; W146-E151 PolarHBondContact O-N 2.86Å
147E98.5Very high98.2Very high98 Ų9871.9 Ų71.946%0.45836%0.363SS..Hα-helixtrans-64.1-46.3171.6-73.4170173.600111.2Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.29Å; Q143-E147 VanDerWaalsContact CG-OE1 3.27Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.44Å; Q143-E147 PolarHBondContact NE2-OE1 2.95Å; Q143-E147 WeakPolarHBondContact O-CB 3.18Å; Q143-E147 WeakPolarHBondContact O-CG 3.06Å; Q143-E147 PolarHBondContact O-N 2.84Å; E147-A149 VanDerWaalsContact C-N 3.28Å; E147-A149 PolarHBondContact O-N 3.2Å; E147-R150 PolarHBondContact O-N 3.36Å; E147-R150 VanDerWaalsContact O-N 3.13Å
148A98.4Very high98.2Very high88 Ų8869.5 Ų69.573%0.72734%0.342SS*.Hα-helixtrans-62.6-35.2177.100000112.7R144 K145R144-A148 WeakPolarHBondContact O-CB 3.43Å; R144-A148 PolarHBondContact O-N 3.19Å; K145-A148 PolarHBondContact O-N 3.24Å
149A98Very high98.2Very high51 Ų5169.4 Ų69.442%0.42134%0.341SS..THydrogen-bonded Turntrans-86.9-3176.900000114.1K145 W146 E147 E151K145-A149 WeakPolarHBondContact O-CB 3.45Å; K145-A149 PolarHBondContact O-N 3.08Å; W146-A149 CarbonylContact O-C 3.58Å; W146-A149 PolarHBondContact O-N 3.03Å; E147-A149 VanDerWaalsContact C-N 3.28Å; E147-A149 PolarHBondContact O-N 3.2Å; A149-E151 VanDerWaalsContact C-N 3.27Å; A149-E151 HydrophobicContact CB-CG 4.04Å; A149-E151 PolarHBondContact O-N 3.35Å
150R97.9Very high98.1Very high158 Ų15873.6 Ų73.660%0.59636%0.361SS*.THydrogen-bonded Turntrans54.238.7-176.6-57.4178.9172.4-149.44.3113.8W146 E147 A152 E153W146-R150 WeakPolarHBondContact O-CA 3.46Å; W146-R150 PolarHBondContact O-N 3.19Å; E147-R150 PolarHBondContact O-N 3.36Å; E147-R150 VanDerWaalsContact O-N 3.13Å; R150-A152 PolarHBondContact O-N 3.2Å; R150-E153 HydrophobicContact CB-CG 4.24Å; R150-E153 WeakPolarHBondContact CD-OE1 3.34Å; R150-E153 IonicContact CZ-OE1 3.34Å; R150-E153 IonicContact NE-OE1 3.79Å; R150-E153 IonicContact NH1-OE1 3.99Å; R150-E153 PolarHBondContact NH1-OE1 3.27Å; R150-E153 IonicContact NH1-OE2 2.78Å; R150-E153 WeakPolarHBondContact O-CB 3.5Å; R150-E153 PolarHBondContact O-N 3.25Å
151E97.6Very high98.1Very high61 Ų6171 Ų7129%0.28535%0.354SS..Hα-helixtrans-58.6-34.2-177.3-67.4-69175.500112.7W132 W146 A149 E153 Q154 L155W132-E151 HydrophobicContact CZ2-CB 4.26Å; W146-E151 HydrophobicContact CB-CB 3.99Å; W146-E151 HydrophobicContact CB-CG 3.89Å; W146-E151 HydrophobicContact CD2-CG 4.49Å; W146-E151 HydrophobicContact CG-CB 4.16Å; W146-E151 HydrophobicContact CG-CG 3.83Å; W146-E151 PolarHBondContact O-N 2.86Å; A149-E151 VanDerWaalsContact C-N 3.27Å; A149-E151 HydrophobicContact CB-CG 4.04Å; A149-E151 PolarHBondContact O-N 3.35Å; E151-E153 VanDerWaalsContact C-N 3.26Å; E151-E153 PolarHBondContact O-N 2.9Å; E151-Q154 PolarHBondContact O-N 2.59Å; E151-Q154 VanDerWaalsContact O-N 3.16Å; E151-L155 PolarHBondContact O-N 2.82Å
152A98.3Very high98Very high9 Ų972 Ų727%0.07436%0.359CS..Hα-helixtrans-60-34.3177.500000112.6L125 R130 W132 R150 Q154 L155 R156L125-A152 HydrophobicContact CD1-CB 3.94Å; R130-A152 WeakPolarHBondContact O-CB 3.2Å; W132-A152 HydrophobicContact CZ2-CB 4.2Å; R150-A152 PolarHBondContact O-N 3.2Å; A152-Q154 PolarHBondContact O-N 3.07Å; A152-L155 PolarHBondContact O-N 3.02Å; A152-R156 WeakPolarHBondContact O-CB 3.35Å; A152-R156 PolarHBondContact O-N 3Å
153E98Very high98Very high115 Ų11571.1 Ų71.154%0.53736%0.355SS..Hα-helixtrans-65.7-39.6178-64178.7-17000111.3R150 E151 A157R150-E153 HydrophobicContact CB-CG 4.24Å; R150-E153 WeakPolarHBondContact CD-OE1 3.34Å; R150-E153 IonicContact CZ-OE1 3.34Å; R150-E153 IonicContact NE-OE1 3.79Å; R150-E153 IonicContact NH1-OE1 3.99Å; R150-E153 PolarHBondContact NH1-OE1 3.27Å; R150-E153 IonicContact NH1-OE2 2.78Å; R150-E153 WeakPolarHBondContact O-CB 3.5Å; R150-E153 PolarHBondContact O-N 3.25Å; E151-E153 VanDerWaalsContact C-N 3.26Å; E151-E153 PolarHBondContact O-N 2.9Å; E153-A157 WeakPolarHBondContact O-CB 3.38Å; E153-A157 PolarHBondContact O-N 3.08Å
154Q96.9Very high98Very high126 Ų12669.6 Ų69.659%0.58935%0.348SS*.Hα-helixtrans-69.5-44.5177.9-60-173.528.100111.8E151 A152 R156 A157 Y158E151-Q154 PolarHBondContact O-N 2.59Å; E151-Q154 VanDerWaalsContact O-N 3.16Å; A152-Q154 PolarHBondContact O-N 3.07Å; Q154-R156 VanDerWaalsContact C-N 3.35Å; Q154-A157 PolarHBondContact O-N 2.69Å; Q154-Y158 PolarHBondContact O-N 2.92Å
155L97.7Very high98Very high23 Ų2367.7 Ų67.712%0.1235%0.346CS..Hα-helixtrans-63.4-43.3177.3-71.8170.1000111.2D113 L125 W132 E151 A152 A157 Y158 L159D113-L155 HydrophobicContact CB-CD1 4.14Å; L125-L155 HydrophobicContact CD2-CB 4.18Å; L125-L155 HydrophobicContact CD2-CD1 4.44Å; W132-L155 HydrophobicContact CH2-CD1 3.36Å; W132-L155 HydrophobicContact CZ2-CD1 3.88Å; W132-L155 HydrophobicContact CZ3-CD1 4.44Å; E151-L155 PolarHBondContact O-N 2.82Å; A152-L155 PolarHBondContact O-N 3.02Å; L155-A157 VanDerWaalsContact C-N 3.35Å; L155-A157 PolarHBondContact O-N 3.1Å; L155-Y158 WeakPolarHBondContact O-CB 3.45Å; L155-Y158 PolarHBondContact O-N 3.11Å; L155-L159 WeakPolarHBondContact O-CB 3.38Å; L155-L159 VanDerWaalsContact O-CG 3.22Å; L155-L159 WeakPolarHBondContact O-CG 3.4Å; L155-L159 PolarHBondContact O-N 2.84Å
156R98.3Very high98Very high69 Ų6964.4 Ų64.426%0.2633%0.33SS..Hα-helixtrans-58.8-45.7175-175.7172.7178.7-133.6-13.3112L129 R130 A152 Q154 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.09Å; L129-R156 HydrophobicContact CB-CG 3.88Å; L129-R156 HydrophobicContact CD1-CG 4.23Å; R130-R156 VanDerWaalsContact CZ-NH1 3.26Å; A152-R156 WeakPolarHBondContact O-CB 3.35Å; A152-R156 PolarHBondContact O-N 3Å; Q154-R156 VanDerWaalsContact C-N 3.35Å; R156-Y158 VanDerWaalsContact C-N 3.29Å; R156-Y158 PolarHBondContact O-N 2.85Å; R156-L159 PolarHBondContact O-N 3.14Å; R156-E160 HydrophobicContact CG-CG 4.1Å; R156-E160 IonicContact CZ-OE1 2.91Å; R156-E160 VanDerWaalsContact CZ-OE1 3.28Å; R156-E160 IonicContact CZ-OE2 3.34Å; R156-E160 VanDerWaalsContact NE-CD 3.32Å; R156-E160 IonicContact NE-OE1 3.96Å; R156-E160 PolarHBondContact NE-OE1 2.91Å; R156-E160 IonicContact NE-OE2 3.28Å; R156-E160 PolarHBondContact NE-OE2 3.42Å; R156-E160 IonicContact NH2-OE1 2.78Å; R156-E160 PolarHBondContact NH2-OE1 2.62Å; R156-E160 IonicContact NH2-OE2 3.34Å; R156-E160 PolarHBondContact NH2-OE2 3.29Å; R156-E160 WeakPolarHBondContact O-CB 3.33Å; R156-E160 PolarHBondContact O-N 3.09Å
157A98.3Very high98Very high67 Ų6761.2 Ų61.255%0.55432%0.318SS*.Hα-helixtrans-60.4-38.3176.800000112.5E153 Q154 L155 G161E153-A157 WeakPolarHBondContact O-CB 3.38Å; E153-A157 PolarHBondContact O-N 3.08Å; Q154-A157 PolarHBondContact O-N 2.69Å; L155-A157 VanDerWaalsContact C-N 3.35Å; L155-A157 PolarHBondContact O-N 3.1Å; A157-G161 PolarHBondContact O-N 3.32Å; A157-G161 VanDerWaalsContact O-N 3.13Å
158Y97.8Very high98Very high61 Ų6162.4 Ų62.424%0.23932%0.318CS..Iπ-helixtrans-67.1-48.4173.5167.8-102.4000112.3Q154 L155 R156 G161 L162 C163Q154-Y158 PolarHBondContact O-N 2.92Å; L155-Y158 WeakPolarHBondContact O-CB 3.45Å; L155-Y158 PolarHBondContact O-N 3.11Å; R156-Y158 VanDerWaalsContact C-N 3.29Å; R156-Y158 PolarHBondContact O-N 2.85Å; Y158-G161 CarbonylContact O-C 3.56Å; Y158-G161 PolarHBondContact O-N 2.84Å; Y158-L162 HydrophobicContact CD2-CB 3.86Å; Y158-L162 HydrophobicContact CD2-CD1 4.37Å; Y158-L162 HydrophobicContact CE2-CB 4.13Å; Y158-L162 PolarHBondContact O-N 2.76Å; Y158-L162 VanDerWaalsContact O-N 3.12Å; Y158-C163 HydrophobicContact CD1-CB 4.45Å; Y158-C163 HydrophobicContact CE1-CB 4Å; Y158-C163 HydrophobicContact CE2-CB 4.45Å; Y158-C163 WeakPolarHBondContact O-CB 3.38Å; Y158-C163 PolarHBondContact O-N 2.96Å
159L98.4Very high97.9Very high1 Ų163.8 Ų63.81%0.00531%0.305CS..Iπ-helixtrans-68.9-39.4-174.5-70.4172.1000112.5G99 L125 L129 L155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.14Å; L125-L159 HydrophobicContact CD2-CD1 3.95Å; L129-L159 HydrophobicContact CD1-CB 4.48Å; L129-L159 HydrophobicContact CD2-CD1 3.95Å; L155-L159 WeakPolarHBondContact O-CB 3.38Å; L155-L159 VanDerWaalsContact O-CG 3.22Å; L155-L159 WeakPolarHBondContact O-CG 3.4Å; L155-L159 PolarHBondContact O-N 2.84Å; R156-L159 PolarHBondContact O-N 3.14Å; L159-V164 WeakPolarHBondContact O-CG2 3.31Å
160E97.9Very high97.9Very high89 Ų8961.4 Ų61.442%0.41629%0.285SS..Iπ-helixtrans-79.4-24.1176.7-67.9-179.7165.600113L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.39Å; L108-E160 HydrophobicContact CD2-CG 3.68Å; L129-E160 HydrophobicContact CD1-CG 4.24Å; R156-E160 HydrophobicContact CG-CG 4.1Å; R156-E160 IonicContact CZ-OE1 2.91Å; R156-E160 VanDerWaalsContact CZ-OE1 3.28Å; R156-E160 IonicContact CZ-OE2 3.34Å; R156-E160 VanDerWaalsContact NE-CD 3.32Å; R156-E160 IonicContact NE-OE1 3.96Å; R156-E160 PolarHBondContact NE-OE1 2.91Å; R156-E160 IonicContact NE-OE2 3.28Å; R156-E160 PolarHBondContact NE-OE2 3.42Å; R156-E160 IonicContact NH2-OE1 2.78Å; R156-E160 PolarHBondContact NH2-OE1 2.62Å; R156-E160 IonicContact NH2-OE2 3.34Å; R156-E160 PolarHBondContact NH2-OE2 3.29Å; R156-E160 WeakPolarHBondContact O-CB 3.33Å; R156-E160 PolarHBondContact O-N 3.09Å
161G97.8Very high97.9Very high21 Ų2154.6 Ų54.622%0.21626%0.26CS..Iπ-helixtrans-107.1-94.6-177.600000112.9A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 3.32Å; A157-G161 VanDerWaalsContact O-N 3.13Å; Y158-G161 CarbonylContact O-C 3.56Å; Y158-G161 PolarHBondContact O-N 2.84Å; G161-C163 VanDerWaalsContact C-N 3.3Å; G161-C163 PolarHBondContact O-N 3.44Å; G161-V164 PolarHBondContact O-N 3.18Å; G161-V164 VanDerWaalsContact O-N 3.12Å; G161-E165 WeakPolarHBondContact O-CG 3.44Å; G161-E165 PolarHBondContact O-N 2.82Å
162L97.3Very high97.9Very high81 Ų8159.8 Ų59.842%0.42428%0.282SS..Iπ-helixtrans-56.3-39.5-170-71.1176.3000113.4Y158 V164 E165 W166Y158-L162 HydrophobicContact CD2-CB 3.86Å; Y158-L162 HydrophobicContact CD2-CD1 4.37Å; Y158-L162 HydrophobicContact CE2-CB 4.13Å; Y158-L162 PolarHBondContact O-N 2.76Å; Y158-L162 VanDerWaalsContact O-N 3.12Å; L162-V164 PolarHBondContact O-N 3.23Å; L162-E165 PolarHBondContact O-N 3.1Å; L162-W166 WeakPolarHBondContact O-CB 3.47Å; L162-W166 PolarHBondContact O-N 2.67Å
163C98.3Very high97.8Very high0 Ų061.7 Ų61.70%029%0.291CS..Hα-helixtrans-59.7-49.5178.8-171.40000111.1M4 C100 Y158 G161 W166 L167M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 WeakPolarHBondContact CE-O 3.44Å; M4-C163 WeakPolarHBondContact CE-SG 2.97Å; C100-C163 HydrophobicContact CB-CB 3.94Å; C100-C163 WeakPolarHBondContact CB-SG 3.45Å; C100-C163 PolarHBondContact N-SG 2.88Å; C100-C163 WeakPolarHBondContact SG-CB 3.21Å; C100-C163 CovalentContact SG-SG 2.05Å; C100-C163 PolarHBondContact SG-SG 2.86Å; Y158-C163 HydrophobicContact CD1-CB 4.45Å; Y158-C163 HydrophobicContact CE1-CB 4Å; Y158-C163 HydrophobicContact CE2-CB 4.45Å; Y158-C163 WeakPolarHBondContact O-CB 3.38Å; Y158-C163 PolarHBondContact O-N 2.96Å; G161-C163 VanDerWaalsContact C-N 3.3Å; G161-C163 PolarHBondContact O-N 3.44Å; C163-W166 PolarHBondContact O-N 3.02Å; C163-L167 WeakPolarHBondContact O-CB 3.35Å; C163-L167 PolarHBondContact O-N 2.83Å
164V98.3Very high97.8Very high7 Ų756.3 Ų56.34%0.04227%0.266CS..Hα-helixtrans-63.2-44.6178.51740000111.2L102 L108 L159 G161 L162 L167 R168L102-V164 HydrophobicContact CD2-CB 4.18Å; L102-V164 HydrophobicContact CD2-CG1 3.78Å; L102-V164 HydrophobicContact CD2-CG2 3.83Å; L108-V164 HydrophobicContact CB-CG2 3.99Å; L108-V164 HydrophobicContact CD1-CG2 3.95Å; L159-V164 WeakPolarHBondContact O-CG2 3.31Å; G161-V164 PolarHBondContact O-N 3.18Å; G161-V164 VanDerWaalsContact O-N 3.12Å; L162-V164 PolarHBondContact O-N 3.23Å; V164-L167 PolarHBondContact O-N 2.88Å; V164-R168 WeakPolarHBondContact O-CG 3.45Å; V164-R168 PolarHBondContact O-N 3Å
165E98.1Very high97.7Very high117 Ų11756.6 Ų56.655%0.54727%0.266SS..Hα-helixtrans-61.3-47.3179.6-72176.4-179.200112.2G161 L162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.44Å; G161-E165 PolarHBondContact O-N 2.82Å; L162-E165 PolarHBondContact O-N 3.1Å; E165-R168 PolarHBondContact O-N 3.38Å; E165-R169 PolarHBondContact O-N 3.02Å
166W98.1Very high97.4Very high44 Ų4463.8 Ų63.817%0.16730%0.299CS..Hα-helixtrans-68.5-41.6179.1-81.4102.8000112.1M4 Y58 L162 C163 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.12Å; M4-W166 HydrophobicContact SD-CB 4.44Å; Y58-W166 AromaticContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CZ2 4.14Å; Y58-W166 AromaticContact CD2-CZ3 3.81Å; Y58-W166 HydrophobicContact CD2-CZ3 3.81Å; Y58-W166 HydrophobicContact CE2-CE3 4.22Å; Y58-W166 AromaticContact CE2-CH2 3.89Å; Y58-W166 HydrophobicContact CE2-CH2 3.89Å; Y58-W166 HydrophobicContact CE2-CZ2 4.42Å; Y58-W166 AromaticContact CE2-CZ3 3.75Å; Y58-W166 HydrophobicContact CE2-CZ3 3.75Å; L162-W166 WeakPolarHBondContact O-CB 3.47Å; L162-W166 PolarHBondContact O-N 2.67Å; C163-W166 PolarHBondContact O-N 3.02Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 2.95Å; W166-R169 WeakPolarHBondContact O-CB 3.42Å; W166-R169 PolarHBondContact O-N 2.82Å; W166-R169 VanDerWaalsContact O-N 3.13Å; W166-Y170 HydrophobicContact CB-CE2 4.11Å; W166-Y170 HydrophobicContact CE3-CD1 4.42Å; W166-Y170 AromaticContact CE3-CE1 3.5Å; W166-Y170 HydrophobicContact CE3-CE1 3.5Å; W166-Y170 HydrophobicContact CE3-CE2 4.36Å; W166-Y170 AromaticContact CE3-CZ 3.46Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.46Å; W166-Y170 AromaticContact CZ3-CE1 3.91Å; W166-Y170 HydrophobicContact CZ3-CE1 3.91Å; W166-Y170 WeakPolarHBondContact O-CD2 3.3Å; W166-Y170 VanDerWaalsContact O-CG 3.24Å; W166-Y170 PolarHBondContact O-N 2.82Å
167L98.5Very high97Very high0 Ų063.6 Ų63.60%031%0.305CS..Hα-helixtrans-60-44.4175.217550.9000111.4H2 M4 V27 L102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.42Å; M4-L167 HydrophobicContact CB-CB 4.02Å; M4-L167 HydrophobicContact CB-CD1 4.04Å; M4-L167 HydrophobicContact CB-CD2 3.94Å; M4-L167 HydrophobicContact CB-CG 4.21Å; M4-L167 HydrophobicContact CE-CB 4.3Å; M4-L167 HydrophobicContact SD-CB 4.41Å; V27-L167 HydrophobicContact CG1-CD1 3.57Å; V27-L167 HydrophobicContact CG2-CD1 4.22Å; L102-L167 HydrophobicContact CD1-CB 4.28Å; L102-L167 HydrophobicContact CD1-CD2 3.66Å; L102-L167 HydrophobicContact CD1-CG 3.72Å; L102-L167 HydrophobicContact CG-CD2 3.57Å; L102-L167 HydrophobicContact CG-CG 4.23Å; C163-L167 WeakPolarHBondContact O-CB 3.35Å; C163-L167 PolarHBondContact O-N 2.83Å; V164-L167 PolarHBondContact O-N 2.88Å; L167-R169 VanDerWaalsContact C-N 3.32Å; L167-R169 PolarHBondContact O-N 3.22Å; L167-Y170 PolarHBondContact O-N 3.06Å; L167-L171 HydrophobicContact CD1-CD1 3.87Å; L167-L171 HydrophobicContact CD1-CD2 4.38Å; L167-L171 HydrophobicContact CD1-CG 3.84Å; L167-L171 HydrophobicContact CG-CD1 4.05Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 WeakPolarHBondContact O-CB 3.35Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.3Å; L167-L171 PolarHBondContact O-N 3.45Å
168R97.9Very high96.8Very high123 Ų12360.6 Ų60.646%0.46428%0.28SS..Hα-helixtrans-60.3-40.7174.3-73.2173.8-178.8168.9-0.7112.5L102 G106 V164 E165 W166 K172L102-R168 HydrophobicContact CD1-CG 3.95Å; G106-R168 VanDerWaalsContact O-CZ 3.25Å; G106-R168 PolarHBondContact O-NE 2.05Å; G106-R168 PolarHBondContact O-NH2 3.33Å; V164-R168 WeakPolarHBondContact O-CG 3.45Å; V164-R168 PolarHBondContact O-N 3Å; E165-R168 PolarHBondContact O-N 3.38Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 2.95Å; R168-K172 WeakPolarHBondContact O-CB 3.46Å; R168-K172 PolarHBondContact O-N 2.95Å
169R97.6Very high96.5Very high116 Ų11662.4 Ų62.444%0.43829%0.29SS..Hα-helixtrans-62.4-46.4175.8179.4178.1173.4107.7-5.1111.1E54 E165 W166 L167 K172 N173E54-R169 IonicContact OE1-CZ 2.6Å; E54-R169 IonicContact OE1-NE 3.67Å; E54-R169 PolarHBondContact OE1-NE 2.9Å; E54-R169 IonicContact OE1-NH2 3.55Å; E54-R169 PolarHBondContact OE1-NH2 3.2Å; E54-R169 VanDerWaalsContact OE1-NH2 3.16Å; E54-R169 IonicContact OE2-CZ 3.16Å; E54-R169 IonicContact OE2-NE 3.82Å; E54-R169 PolarHBondContact OE2-NE 3.47Å; E54-R169 IonicContact OE2-NH2 2.77Å; E54-R169 PolarHBondContact OE2-NH2 2.81Å; E165-R169 PolarHBondContact O-N 3.02Å; W166-R169 WeakPolarHBondContact O-CB 3.42Å; W166-R169 PolarHBondContact O-N 2.82Å; W166-R169 VanDerWaalsContact O-N 3.13Å; L167-R169 VanDerWaalsContact C-N 3.32Å; L167-R169 PolarHBondContact O-N 3.22Å; R169-K172 WeakPolarHBondContact O-CB 3.25Å; R169-K172 PolarHBondContact O-N 3.34Å; R169-N173 VanDerWaalsContact O-CB 3.31Å; R169-N173 WeakPolarHBondContact O-CB 3.42Å; R169-N173 PolarHBondContact O-N 2.95Å; R169-N173 PolarHBondContact O-OD1 2.77Å
170Y98.1Very high96.2Very high1 Ų168.3 Ų68.30%0.00431%0.313CS..Hα-helixtrans-64.9-42178.6-60.8-28.8000112.4M4 V27 F32 W50 V51 Y58 W166 L167 K172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.77Å; M4-Y170 HydrophobicContact SD-CE2 3.59Å; M4-Y170 VanDerWaalsContact SD-CE2 3.59Å; V27-Y170 HydrophobicContact CG2-CD2 3.91Å; V27-Y170 HydrophobicContact CG2-CG 4.45Å; F32-Y170 AromaticContact CE2-CE2 3.83Å; F32-Y170 HydrophobicContact CE2-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CD2 4.48Å; F32-Y170 AromaticContact CZ-CE2 3.85Å; F32-Y170 HydrophobicContact CZ-CE2 3.85Å; W50-Y170 HydrophobicContact CE3-CD1 4.14Å; W50-Y170 HydrophobicContact CE3-CG 4.35Å; W50-Y170 HydrophobicContact CH2-CD1 4.45Å; W50-Y170 HydrophobicContact CH2-CD2 4.31Å; W50-Y170 HydrophobicContact CH2-CG 4Å; W50-Y170 AromaticContact CZ3-CD1 3.51Å; W50-Y170 HydrophobicContact CZ3-CD1 3.51Å; W50-Y170 HydrophobicContact CZ3-CD2 4.11Å; W50-Y170 HydrophobicContact CZ3-CE1 4.19Å; W50-Y170 AromaticContact CZ3-CG 3.47Å; W50-Y170 HydrophobicContact CZ3-CG 3.47Å; W50-Y170 VanDerWaalsContact CZ3-CG 3.47Å; V51-Y170 HydrophobicContact CG2-CE1 4.42Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.26Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.3Å; Y58-Y170 PolarHBondContact OH-OH 2.79Å; W166-Y170 HydrophobicContact CB-CE2 4.11Å; W166-Y170 HydrophobicContact CE3-CD1 4.42Å; W166-Y170 AromaticContact CE3-CE1 3.5Å; W166-Y170 HydrophobicContact CE3-CE1 3.5Å; W166-Y170 HydrophobicContact CE3-CE2 4.36Å; W166-Y170 AromaticContact CE3-CZ 3.46Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.46Å; W166-Y170 AromaticContact CZ3-CE1 3.91Å; W166-Y170 HydrophobicContact CZ3-CE1 3.91Å; W166-Y170 WeakPolarHBondContact O-CD2 3.3Å; W166-Y170 VanDerWaalsContact O-CG 3.24Å; W166-Y170 PolarHBondContact O-N 2.82Å; L167-Y170 PolarHBondContact O-N 3.06Å; Y170-K172 VanDerWaalsContact C-N 3.27Å; Y170-K172 PolarHBondContact O-N 3.1Å; Y170-N173 PolarHBondContact O-N 3Å; Y170-G174 PolarHBondContact O-N 2.9Å; Y170-L178 WeakPolarHBondContact O-CD1 3.06Å
171L97.3Very high96Very high15 Ų1566 Ų668%0.07931%0.308CS..Hα-helixtrans-61.1-36.3174.3-70.1170.2000112.4H2 V27 L167 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.75Å; H2-L171 HydrophobicContact CB-CD2 3.98Å; H2-L171 HydrophobicContact CB-CG 4.43Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.49Å; 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 3.84Å; L167-L171 HydrophobicContact CG-CD1 4.05Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 WeakPolarHBondContact O-CB 3.35Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.3Å; L167-L171 PolarHBondContact O-N 3.45Å; L171-K175 WeakPolarHBondContact O-CA 3.22Å; L171-K175 PolarHBondContact O-N 2.73Å; L171-L178 HydrophobicContact CD2-CB 4.1Å; L171-L178 HydrophobicContact CD2-CD1 4.4Å; L171-Q179 HydrophobicContact CD2-CG 4.48Å; L171-Q179 PolarHBondContact O-NE2 3.39Å
172K96.9Very high95.9Very high170 Ų17067.8 Ų67.874%0.73931%0.311SS*.Hα-helixtrans-68.7-45.6174.3-176.8-179.2177.7-1770111.5R168 R169 Y170R168-K172 WeakPolarHBondContact O-CB 3.46Å; R168-K172 PolarHBondContact O-N 2.95Å; R169-K172 WeakPolarHBondContact O-CB 3.25Å; R169-K172 PolarHBondContact O-N 3.34Å; Y170-K172 VanDerWaalsContact C-N 3.27Å; Y170-K172 PolarHBondContact O-N 3.1Å
173N97.2Very high95.9Very high49 Ų4969.2 Ų69.226%0.26232%0.316SS..Hα-helixtrans-69.2-41-176.6-76.23.7000112.6W50 Q53 E54 R169 Y170W50-N173 HydrophobicContact CB-CB 4.47Å; Q53-N173 PolarHBondContact NE2-ND2 3.44Å; E54-N173 PolarHBondContact OE1-ND2 3.36Å; R169-N173 VanDerWaalsContact O-CB 3.31Å; R169-N173 WeakPolarHBondContact O-CB 3.42Å; R169-N173 PolarHBondContact O-N 2.95Å; R169-N173 PolarHBondContact O-OD1 2.77Å; Y170-N173 PolarHBondContact O-N 3Å
174G96.4Very high95.9Very high3 Ų369.4 Ų69.43%0.03132%0.317CS..THydrogen-bonded Turntrans-100.220.4-177.800000113.8Y170 E176 T177 L178Y170-G174 PolarHBondContact O-N 2.9Å; G174-E176 PolarHBondContact O-N 3.4Å; G174-T177 PolarHBondContact O-N 3.32Å; G174-T177 PolarHBondContact O-OG1 3.46Å; G174-L178 PolarHBondContact O-N 2.88Å
175K94.9Very high95.9Very high132 Ų13276 Ų7657%0.57435%0.345SS*.Hα-helixtrans-47.6-41.6-172.2-177.4-179.9-179.9-172.90113.8L171 T177 Q179L171-K175 WeakPolarHBondContact O-CA 3.22Å; L171-K175 PolarHBondContact O-N 2.73Å; K175-T177 PolarHBondContact O-N 3Å; K175-Q179 HydrophobicContact CG-CB 4.4Å; K175-Q179 HydrophobicContact CG-CG 4.47Å; K175-Q179 WeakPolarHBondContact O-CB 3.13Å; K175-Q179 PolarHBondContact O-N 3.24Å
176E91.6Very high95.9Very high173 Ų17372.2 Ų72.281%0.80833%0.33SS*.Hα-helixtrans-65.7-22.5-177.9-62.9-177.9171.200114G174G174-E176 PolarHBondContact O-N 3.4Å
177T91.6Very high95.9Very high66 Ų6673.8 Ų73.841%0.40534%0.339SS..Hα-helixtrans-109.4-49.2-178.152.10000111.7G174 K175G174-T177 PolarHBondContact O-N 3.32Å; G174-T177 PolarHBondContact O-OG1 3.46Å; K175-T177 PolarHBondContact O-N 3Å
178L93.4Very high95.9Very high4 Ų474.9 Ų74.92%0.02135%0.346CS..Hα-helixtrans-78.3-24-173.5-60.9173.8000114.1H2 V27 T30 W50 Y170 L171 G174H2-L178 PolarHBondContact CE1-O 3.43Å; V27-L178 HydrophobicContact CB-CD1 4.26Å; V27-L178 HydrophobicContact CB-CD2 4.11Å; V27-L178 HydrophobicContact CG1-CD1 3.89Å; V27-L178 HydrophobicContact CG1-CD2 4.05Å; V27-L178 HydrophobicContact CG1-CG 4.48Å; T30-L178 HydrophobicContact CG2-CD2 4.06Å; W50-L178 HydrophobicContact CD2-CD1 4.39Å; W50-L178 HydrophobicContact CH2-CD1 4.43Å; W50-L178 HydrophobicContact CZ2-CD1 3.84Å; W50-L178 HydrophobicContact CZ2-CD2 4.19Å; W50-L178 HydrophobicContact CZ2-CG 4.45Å; Y170-L178 WeakPolarHBondContact O-CD1 3.06Å; L171-L178 HydrophobicContact CD2-CB 4.1Å; L171-L178 HydrophobicContact CD2-CD1 4.4Å; G174-L178 PolarHBondContact O-N 2.88Å
179Q91.1Very high96Very high98 Ų9870.6 Ų70.646%0.45833%0.333SS..THydrogen-bonded Turntrans-107.619.5178.7-58-178.633.500112L171 K175L171-Q179 HydrophobicContact CD2-CG 4.48Å; L171-Q179 PolarHBondContact O-NE2 3.39Å; K175-Q179 HydrophobicContact CG-CB 4.4Å; K175-Q179 HydrophobicContact CG-CG 4.47Å; K175-Q179 WeakPolarHBondContact O-CB 3.13Å; K175-Q179 PolarHBondContact O-N 3.24Å
180R91.4Very high96Very high126 Ų12667.3 Ų67.348%0.47532%0.322SS..  trans-104.9136.5172.2-179176.580.9-166.83.7108.7E182 Y208R180-E182 IonicContact CZ-OE1 3.63Å; R180-E182 IonicContact NE-OE1 3.16Å; R180-E182 VanDerWaalsContact NH2-CD 3.34Å; R180-E182 IonicContact NH2-OE1 3.47Å; R180-E182 PolarHBondContact NH2-OE1 2.88Å; R180-Y208 WeakPolarHBondContact O-CD1 3.27Å
181A94.6Very high95.9Very high39 Ų3971.1 Ų71.132%0.32234%0.34SS..PPolyproline II helixtrans-102.4129.3161.800000109.1Y208 E263 G264A181-Y208 CarbonylContact C-O 3.59Å; A181-Y208 VanDerWaalsContact CA-O 3.28Å; A181-Y208 WeakPolarHBondContact CA-O 3.48Å; A181-E263 HydrophobicContact CB-CG 4.1Å; A181-G264 VanDerWaalsContact CB-CA 3.49Å
182E95.9Very high95.8Very high59 Ų5975.1 Ų75.128%0.27637%0.367SS..BIsolated β-bridgetrans-96.9120.6169.5-70.6-175-125.300108.9R180 F207 Y208 H262R180-E182 IonicContact CZ-OE1 3.63Å; R180-E182 IonicContact NE-OE1 3.16Å; R180-E182 VanDerWaalsContact NH2-CD 3.34Å; R180-E182 IonicContact NH2-OE1 3.47Å; R180-E182 PolarHBondContact NH2-OE1 2.88Å; E182-F207 WeakPolarHBondContact O-CA 3.41Å; E182-F207 WeakPolarHBondContact O-CB 3.32Å; E182-Y208 PolarHBondContact N-O 3.02Å; E182-Y208 PolarHBondContact O-N 2.87Å; E182-Y208 VanDerWaalsContact O-N 3.07Å; E182-H262 PolarHBondContact O-CE1 2.83Å
183H96.6Very high95.7Very high112 Ų11271.5 Ų71.552%0.51936%0.359SS..PPolyproline II helixtrans-70.2147.5179.356-107.6000111.4K185 L265H183-K185 PolarHBondContact O-N 3.5Å; H183-L265 HydrophobicContact CB-CD2 3.92Å; H183-L265 HydrophobicContact CB-CG 4.47Å
184P98.3Very high95.6Very high4 Ų471.7 Ų71.73%0.02636%0.364CS..PPolyproline II helixtrans-67.4132.5175.928.2-34.7000111.1T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 3.91Å; P184-T186 HydrophobicContact CG-CG2 4.12Å; P184-T186 PolarHBondContact O-N 2.96Å; P184-A204 HydrophobicContact CB-CB 3.79Å; P184-F207 HydrophobicContact CB-CB 3.91Å; P184-F207 HydrophobicContact CB-CD1 3.99Å; P184-F207 HydrophobicContact CB-CG 4.23Å; P184-I212 HydrophobicContact CB-CD1 3.98Å; P184-I212 HydrophobicContact CG-CD1 4.1Å; P184-V260 HydrophobicContact CG-CG1 3.95Å; P184-H262 HydrophobicContact CG-CB 4.05Å; P184-L265 HydrophobicContact CG-CD1 3.9Å; P184-L265 HydrophobicContact CG-CD2 4.49Å; P184-L265 HydrophobicContact CG-CG 4.26Å
185K98.4Very high95.4Very high146 Ų14678.8 Ų78.864%0.63540%0.401SS*.EExtended strand (participates in β ladder)trans-79.2112.3162.6-65.2171.3-173165.30107.7H183 L205H183-K185 PolarHBondContact O-N 3.5Å; K185-L205 PolarHBondContact N-O 3.16Å; K185-L205 PolarHBondContact O-N 3.37Å
186T98.6Very high95.4Very high36 Ų3679.2 Ų79.222%0.22141%0.405CS..EExtended strand (participates in β ladder)trans-111.5145.1-172.357.60000112.5P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 3.91Å; P184-T186 HydrophobicContact CG-CG2 4.12Å; P184-T186 PolarHBondContact O-N 2.96Å; T186-W203 WeakPolarHBondContact CA-O 3.39Å; T186-W203 WeakPolarHBondContact CB-O 3.4Å; T186-A204 HydrophobicContact CG2-CB 4.33Å; T186-V260 HydrophobicContact CG2-CB 4.36Å; T186-V260 HydrophobicContact CG2-CG1 4.11Å; T186-V260 HydrophobicContact CG2-CG2 3.92Å; T186-L269 HydrophobicContact CG2-CD1 4.32Å; T186-L271 HydrophobicContact CG2-CD1 4.27Å
187H98.5Very high95.6Very high78 Ų7875.5 Ų75.536%0.36139%0.388SS..EExtended strand (participates in β ladder)trans-160.2159171.763.4-74.5000110.2W203H187-W203 VanDerWaalsContact CE1-CB 3.42Å; H187-W203 WeakPolarHBondContact CE1-CB 3.29Å; H187-W203 AromaticContact CE1-CD1 3.9Å; H187-W203 AromaticContact CE1-CG 3.68Å; H187-W203 PolarHBondContact N-O 3.44Å; H187-W203 AromaticContact NE2-CD1 3.52Å; H187-W203 AromaticContact NE2-CG 3.76Å; H187-W203 PolarHBondContact O-N 3.37Å
188V98.7Very high95.9Very high23 Ų2372.4 Ų72.414%0.13937%0.369CS..EExtended strand (participates in β ladder)trans-109.1134174.5-1790000109L200 R201 C202 W216 L271 W273V188-L200 HydrophobicContact CG1-CB 4.42Å; V188-L200 HydrophobicContact CG1-CD2 4.4Å; V188-R201 CarbonylContact C-O 3.54Å; V188-R201 WeakPolarHBondContact CA-O 3.43Å; V188-C202 HydrophobicContact CG2-CB 4.47Å; V188-W216 HydrophobicContact CG1-CH2 3.87Å; V188-W216 HydrophobicContact CG1-CZ2 4.26Å; V188-W216 HydrophobicContact CG2-CH2 4.2Å; V188-L271 HydrophobicContact CG2-CB 3.87Å; V188-W273 HydrophobicContact CG1-CB 3.9Å
189T98.4Very high96.1Very high32 Ų3273.2 Ų73.220%0.19637%0.374CS..EExtended strand (participates in β ladder)trans-111.1145.1173.550.50000109.6H191 L200 R201 W203T189-H191 PolarHBondContact OG1-NE2 2.88Å; T189-L200 WeakPolarHBondContact O-CA 3.07Å; T189-R201 PolarHBondContact N-O 3.06Å; T189-R201 PolarHBondContact O-N 3.31Å; T189-R201 WeakPolarHBondContact OG1-CB 3.26Å; T189-R201 PolarHBondContact OG1-O 3.21Å; T189-W203 PolarHBondContact OG1-NE1 3.09Å
190H97.9Very high96.4Very high47 Ų4768.6 Ų68.622%0.21835%0.352CS..EExtended strand (participates in β ladder)trans-119.8127.2-179.8170.5-90000109.7A198 T199 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 3.48Å; H190-T199 WeakPolarHBondContact CA-O 3.45Å; H190-L200 HydrophobicContact CB-CD2 4.03Å; H190-E253 IonicContact NE2-OE1 3.93Å; H190-W273 HydrophobicContact CB-CD2 3.84Å; H190-W273 VanDerWaalsContact CB-CE2 3.43Å; H190-W273 HydrophobicContact CB-CG 3.95Å; H190-W273 HydrophobicContact CB-CZ2 3.96Å; H190-W273 VanDerWaalsContact CB-NE1 3.29Å; H190-W273 AromaticContact CG-CE2 3.68Å; H190-W273 AromaticContact CG-CZ2 3.75Å; H190-W273 AromaticContact ND1-CZ2 3.85Å
191H96.8Very high96.8Very high81 Ų8165.1 Ų65.138%0.37534%0.339SS..EExtended strand (participates in β ladder)trans-128.7105.9-178.8-59-70.3000109.8T189 V193 A198 T199 R201T189-H191 PolarHBondContact OG1-NE2 2.88Å; H191-V193 PolarHBondContact O-N 3.18Å; H191-A198 CarbonylContact O-C 3.5Å; H191-A198 WeakPolarHBondContact O-CA 3.47Å; H191-T199 PolarHBondContact N-O 3.43Å; H191-T199 PolarHBondContact O-N 3.04Å; H191-R201 PolarHBondContact CD2-NH1 3.2Å; H191-R201 VanDerWaalsContact CD2-NH1 3.28Å; H191-R201 PolarHBondContact NE2-NH1 2.76Å
192P95.6Very high97Very high99 Ų9963.2 Ų63.264%0.64332%0.324SS*.EExtended strand (participates in β ladder)trans-57.7130.3172.4-2131.3000110.6
193V94.1Very high97.1Very high95 Ų9562.7 Ų62.758%0.57632%0.319SS*.  trans-104.5-40.9176.5-179.20000110H191 E197 T199H191-V193 PolarHBondContact O-N 3.18Å; V193-E197 PolarHBondContact N-O 3.45Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.47Å
194S94.6Very high97.2Very high52 Ų5257.3 Ų57.336%0.36429%0.294SS..SBendtrans-147.5-177.9175.572.70000110.5H196 E197S194-H196 PolarHBondContact O-N 3.23Å; S194-H196 VanDerWaalsContact O-N 3.17Å; S194-H196 PolarHBondContact OG-N 3.05Å; S194-H196 VanDerWaalsContact OG-N 3.16Å; S194-E197 PolarHBondContact N-O 2.86Å; S194-E197 VanDerWaalsContact N-O 3.07Å; S194-E197 PolarHBondContact OG-N 3.13Å
195D92Very high97.2Very high152 Ų15259.8 Ų59.881%0.81331%0.307SS*.SBendtrans-66.2-9.7172.6-65.4-21.1000113.2
196H94.8Very high97.2Very high142 Ų14253.7 Ų53.766%0.65729%0.286SS*.SBendtrans-118.2-14.8-175.1-55.1-43.7000113.5S194 P249 S250S194-H196 PolarHBondContact O-N 3.23Å; S194-H196 VanDerWaalsContact O-N 3.17Å; S194-H196 PolarHBondContact OG-N 3.05Å; S194-H196 VanDerWaalsContact OG-N 3.16Å; H196-P249 WeakPolarHBondContact O-CA 3.14Å; H196-S250 VanDerWaalsContact C-OG 3.26Å; H196-S250 PolarHBondContact O-N 3.36Å
197E96.3Very high97.2Very high94 Ų9452 Ų5244%0.43928%0.276SS..EExtended strand (participates in β ladder)trans-143.3145-170.6-67.1179.7161.300112.2V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 3.45Å; S194-E197 PolarHBondContact N-O 2.86Å; S194-E197 VanDerWaalsContact N-O 3.07Å; S194-E197 PolarHBondContact OG-N 3.13Å; E197-V247 HydrophobicContact CB-CG1 4.02Å; E197-V247 HydrophobicContact CG-CG1 4.24Å; E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.19Å; E197-S250 PolarHBondContact N-OG 2.89Å
198A97.3Very high97.2Very high1 Ų148.9 Ų48.91%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-134.1155.4170.500000110.9H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.48Å; H191-A198 CarbonylContact O-C 3.5Å; H191-A198 WeakPolarHBondContact O-CA 3.47Å; A198-V247 WeakPolarHBondContact O-CA 3.27Å; A198-V248 PolarHBondContact N-O 2.88Å; A198-V248 PolarHBondContact O-N 2.64Å
199T98.3Very high97.1Very high22 Ų2248.5 Ų48.514%0.13526%0.259CS..EExtended strand (participates in β ladder)trans-95.3122.8169.4-55.20000109.5H190 H191 V193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.45Å; H191-T199 PolarHBondContact N-O 3.43Å; H191-T199 PolarHBondContact O-N 3.04Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.47Å; T199-A245 HydrophobicContact CG2-CB 3.9Å; T199-V246 WeakPolarHBondContact CA-O 3.04Å
200L98.6Very high97.1Very high0 Ų047.8 Ų47.80%026%0.256CS..EExtended strand (participates in β ladder)trans-93.6124.7164.2-63.1-176.5000108.7V188 T189 H190 W216 A245 V246 V248 E253 Y256 W273V188-L200 HydrophobicContact CG1-CB 4.42Å; V188-L200 HydrophobicContact CG1-CD2 4.4Å; T189-L200 WeakPolarHBondContact O-CA 3.07Å; H190-L200 HydrophobicContact CB-CD2 4.03Å; L200-W216 HydrophobicContact CB-CH2 3.71Å; L200-W216 HydrophobicContact CB-CZ2 3.76Å; L200-W216 HydrophobicContact CB-CZ3 4.49Å; L200-W216 HydrophobicContact CD1-CH2 4.06Å; L200-W216 HydrophobicContact CD1-CZ3 4.21Å; L200-A245 CarbonylContact O-C 3.47Å; L200-A245 WeakPolarHBondContact O-CA 3.44Å; L200-V246 HydrophobicContact CB-CG2 4.2Å; L200-V246 PolarHBondContact N-O 3.13Å; L200-V246 PolarHBondContact O-N 3.07Å; L200-V248 HydrophobicContact CD1-CG1 4.03Å; L200-V248 HydrophobicContact CD1-CG2 4.04Å; L200-V248 HydrophobicContact CG-CG1 4.19Å; L200-V248 HydrophobicContact CG-CG2 3.85Å; L200-E253 HydrophobicContact CD1-CB 4.15Å; L200-E253 HydrophobicContact CD2-CG 4.35Å; L200-Y256 HydrophobicContact CD1-CG 4.44Å; L200-W273 HydrophobicContact CD2-CB 3.87Å; L200-W273 HydrophobicContact CD2-CD2 4.49Å; L200-W273 HydrophobicContact CD2-CG 4.11Å
201R98.7Very high97.1Very high53 Ų5352.6 Ų52.620%0.228%0.279CS..EExtended strand (participates in β ladder)trans-122117.3176.8-178.9-177.5-60.6112.90.5110.6V188 T189 H191 W203 W243 A244 A245V188-R201 CarbonylContact C-O 3.54Å; V188-R201 WeakPolarHBondContact CA-O 3.43Å; T189-R201 PolarHBondContact N-O 3.06Å; T189-R201 PolarHBondContact O-N 3.31Å; T189-R201 WeakPolarHBondContact OG1-CB 3.26Å; T189-R201 PolarHBondContact OG1-O 3.21Å; H191-R201 PolarHBondContact CD2-NH1 3.2Å; H191-R201 VanDerWaalsContact CD2-NH1 3.28Å; H191-R201 PolarHBondContact NE2-NH1 2.76Å; R201-W203 HydrophobicContact CG-CZ2 4.41Å; R201-W243 HydrophobicContact CG-CB 3.98Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.92Å; R201-W243 HydrophobicContact CG-CG 4.21Å; R201-A244 WeakPolarHBondContact CA-O 3.26Å; R201-A245 HydrophobicContact CB-CB 4.01Å; R201-A245 HydrophobicContact CG-CB 4.15Å
202C98.7Very high97.2Very high0 Ų049.4 Ų49.40%026%0.264CS..EExtended strand (participates in β ladder)trans-90.6123.3175.3-173.50000109.8V188 W216 W243 A244 C258V188-C202 HydrophobicContact CG2-CB 4.47Å; C202-W216 HydrophobicContact CB-CZ2 3.65Å; C202-W243 CarbonylContact O-C 3.49Å; C202-W243 WeakPolarHBondContact O-CA 3.44Å; C202-W243 VanDerWaalsContact O-CB 3.24Å; C202-W243 WeakPolarHBondContact O-CB 3.18Å; C202-A244 PolarHBondContact N-O 3.41Å; C202-A244 PolarHBondContact O-N 3.13Å; C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.49Å; C202-C258 WeakPolarHBondContact SG-CB 3.49Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 3.49Å
203W98.8Very high97.3Very high47 Ų4747.4 Ų47.418%0.17825%0.25CS..EExtended strand (participates in β ladder)trans-105.4143-179.6-70.991000110.9T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.39Å; T186-W203 WeakPolarHBondContact CB-O 3.4Å; H187-W203 VanDerWaalsContact CE1-CB 3.42Å; H187-W203 WeakPolarHBondContact CE1-CB 3.29Å; H187-W203 AromaticContact CE1-CD1 3.9Å; H187-W203 AromaticContact CE1-CG 3.68Å; H187-W203 PolarHBondContact N-O 3.44Å; H187-W203 AromaticContact NE2-CD1 3.52Å; H187-W203 AromaticContact NE2-CG 3.76Å; H187-W203 PolarHBondContact O-N 3.37Å; T189-W203 PolarHBondContact OG1-NE1 3.09Å; R201-W203 HydrophobicContact CG-CZ2 4.41Å; W203-L205 HydrophobicContact CE3-CD2 3.88Å; W203-L205 HydrophobicContact CZ3-CD2 4.4Å; W203-W243 HydrophobicContact CD2-CB 3.92Å; W203-W243 HydrophobicContact CD2-CG 4.47Å; W203-W243 HydrophobicContact CE3-CB 3.83Å; W203-W243 AromaticContact CE3-CD1 3.9Å; W203-W243 HydrophobicContact CE3-CG 4.19Å; W203-W243 HydrophobicContact CG-CB 4.39Å; W203-W243 AromaticContact CH2-CD1 3.54Å; W203-W243 HydrophobicContact CH2-CG 4.18Å; W203-W243 HydrophobicContact CZ2-CG 4.44Å; W203-W243 HydrophobicContact CZ3-CB 4.21Å; W203-W243 AromaticContact CZ3-CD1 3.38Å; W203-W243 HydrophobicContact CZ3-CG 4.06Å
204A98.8Very high97.5Very high0 Ų043.2 Ų43.20%022%0.224CC..EExtended strand (participates in β ladder)trans-125.5124.5161.100000108.2P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.79Å; T186-A204 HydrophobicContact CG2-CB 4.33Å; A204-F207 HydrophobicContact CB-CD1 4.02Å; A204-F207 HydrophobicContact CB-CE1 3.81Å; A204-F207 WeakPolarHBondContact O-CE1 3.42Å; A204-I212 HydrophobicContact CB-CD1 3.56Å; A204-L214 HydrophobicContact CB-CD1 4.26Å; A204-L214 HydrophobicContact CB-CD2 4.18Å; A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.39Å; A204-K242 PolarHBondContact N-O 3.36Å; A204-K242 PolarHBondContact O-N 2.99Å; A204-K242 VanDerWaalsContact O-O 3.11Å
205L98.6Very high97.7Very high55 Ų5542.6 Ų42.629%0.28822%0.218SC..EExtended strand (participates in β ladder)trans-130.6147.9-175.7-58.6176.7000110.9K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 3.16Å; K185-L205 PolarHBondContact O-N 3.37Å; W203-L205 HydrophobicContact CE3-CD2 3.88Å; W203-L205 HydrophobicContact CZ3-CD2 4.4Å; L205-F207 VanDerWaalsContact C-N 3.35Å; L205-F207 PolarHBondContact O-N 2.77Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å
206G98Very high98Very high19 Ų1935.4 Ų35.420%0.19618%0.18CC..EExtended strand (participates in β ladder)trans69.730.7168.400000113.9T239 F240G206-T239 WeakPolarHBondContact CA-OG1 3.22Å; G206-F240 PolarHBondContact N-O 2.84Å
207F98.4Very high98.2Very high0 Ų030.6 Ų30.60%016%0.158CC..EExtended strand (participates in β ladder)trans-101.2152.5179.559.4-89.3000112.1E182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262E182-F207 WeakPolarHBondContact O-CA 3.41Å; E182-F207 WeakPolarHBondContact O-CB 3.32Å; P184-F207 HydrophobicContact CB-CB 3.91Å; P184-F207 HydrophobicContact CB-CD1 3.99Å; P184-F207 HydrophobicContact CB-CG 4.23Å; A204-F207 HydrophobicContact CB-CD1 4.02Å; A204-F207 HydrophobicContact CB-CE1 3.81Å; A204-F207 WeakPolarHBondContact O-CE1 3.42Å; L205-F207 VanDerWaalsContact C-N 3.35Å; L205-F207 PolarHBondContact O-N 2.77Å; F207-P209 WeakPolarHBondContact CD2-O 3.14Å; F207-I212 HydrophobicContact CD1-CD1 3.87Å; F207-I212 HydrophobicContact CD2-CB 4.25Å; F207-I212 HydrophobicContact CD2-CD1 4.04Å; F207-I212 HydrophobicContact CD2-CG2 4.48Å; F207-I212 HydrophobicContact CE1-CD1 3.8Å; F207-I212 HydrophobicContact CE1-CG2 4.43Å; F207-I212 HydrophobicContact CE2-CB 3.78Å; F207-I212 HydrophobicContact CE2-CD1 4Å; F207-I212 HydrophobicContact CE2-CG1 4.49Å; F207-I212 HydrophobicContact CE2-CG2 3.56Å; F207-I212 HydrophobicContact CG-CD1 3.99Å; F207-I212 HydrophobicContact CZ-CB 4.16Å; F207-I212 HydrophobicContact CZ-CD1 3.9Å; F207-I212 HydrophobicContact CZ-CG2 3.55Å; F207-T232 HydrophobicContact CE2-CG2 4.02Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; F207-T239 CarbonylContact O-C 3.59Å; F207-T239 WeakPolarHBondContact O-CA 3.39Å; F207-F240 VanDerWaalsContact CD1-O 3.29Å; F207-F240 WeakPolarHBondContact CD1-O 3.37Å; F207-F240 HydrophobicContact CD2-CB 3.88Å; F207-F240 HydrophobicContact CE1-CB 4.25Å; F207-F240 WeakPolarHBondContact CE1-O 3.37Å; F207-F240 HydrophobicContact CE2-CB 3.44Å; F207-F240 VanDerWaalsContact CE2-CB 3.44Å; F207-F240 HydrophobicContact CE2-CG 4.43Å; F207-F240 HydrophobicContact CG-CB 4.44Å; F207-F240 HydrophobicContact CZ-CB 3.63Å; F207-F240 PolarHBondContact N-O 2.7Å; F207-F240 PolarHBondContact O-N 3.12Å; F207-K242 HydrophobicContact CE1-CB 4.34Å; F207-K242 HydrophobicContact CZ-CB 4.07Å; F207-H262 AromaticContact CD2-CD2 3.87Å; F207-H262 AromaticContact CD2-NE2 3.82Å
208Y97.8Very high98.2Very high13 Ų1329.8 Ų29.85%0.05115%0.151CC..BIsolated β-bridgetrans-149.5136172.5176.9-84.4000108.2D29 T30 R180 A181 E182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.84Å; T30-Y208 PolarHBondContact OG1-OH 3.23Å; R180-Y208 WeakPolarHBondContact O-CD1 3.27Å; A181-Y208 CarbonylContact C-O 3.59Å; A181-Y208 VanDerWaalsContact CA-O 3.28Å; A181-Y208 WeakPolarHBondContact CA-O 3.48Å; E182-Y208 PolarHBondContact N-O 3.02Å; E182-Y208 PolarHBondContact O-N 2.87Å; E182-Y208 VanDerWaalsContact O-N 3.07Å; Y208-G238 WeakPolarHBondContact CD2-O 3.39Å; Y208-F240 HydrophobicContact CD2-CD2 4.49Å; Y208-F240 AromaticContact CD2-CE2 3.99Å; Y208-F240 HydrophobicContact CD2-CE2 3.99Å; Y208-F240 HydrophobicContact CE2-CE2 4.48Å; Y208-H262 PolarHBondContact O-CE1 3.34Å
209P97.6Very high98.1Very high15 Ų1534.6 Ų34.610%0.09718%0.177CC..SBendcis-71.9178.80.830.8-37.5000112.7D29 F207 E211 H262 E263D29-P209 WeakPolarHBondContact OD2-CB 3.34Å; F207-P209 WeakPolarHBondContact CD2-O 3.14Å; P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.64Å; P209-H262 PolarHBondContact O-NE2 3.24Å; P209-E263 VanDerWaalsContact CD-CD 3.41Å; P209-E263 WeakPolarHBondContact CD-OE1 3.22Å; P209-E263 VanDerWaalsContact CG-CD 3.44Å; P209-E263 HydrophobicContact CG-CG 3.79Å; P209-E263 WeakPolarHBondContact CG-OE1 3.46Å
210A97.9Very high97.7Very high17 Ų1735.8 Ų35.814%0.1419%0.193CC..SBendtrans-69-23.8-174.800000114.1D29 I212 T232 F240D29-A210 WeakPolarHBondContact OD2-CB 3.26Å; D29-A210 PolarHBondContact OD2-N 3.1Å; A210-I212 PolarHBondContact O-N 2.96Å; A210-T232 HydrophobicContact CB-CG2 4.29Å; A210-F240 HydrophobicContact CB-CD1 3.74Å; A210-F240 HydrophobicContact CB-CD2 3.74Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.69Å; A210-F240 HydrophobicContact CB-CG 3.78Å; A210-F240 HydrophobicContact CB-CZ 3.68Å
211E98.1Very high97.6Very high148 Ų14842 Ų4269%0.69222%0.222SC*.  trans-65.5118.6179.9-171.660.5-151.500110.3P209 H262P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.64Å; E211-H262 PolarHBondContact O-CD2 2.9Å
212I98.4Very high97.5Very high13 Ų1344 Ų447%0.06724%0.236CC..  trans-153.9144.3-179.3-165.4170.5000109.7P184 A204 F207 A210 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 3.98Å; P184-I212 HydrophobicContact CG-CD1 4.1Å; A204-I212 HydrophobicContact CB-CD1 3.56Å; F207-I212 HydrophobicContact CD1-CD1 3.87Å; F207-I212 HydrophobicContact CD2-CB 4.25Å; F207-I212 HydrophobicContact CD2-CD1 4.04Å; F207-I212 HydrophobicContact CD2-CG2 4.48Å; F207-I212 HydrophobicContact CE1-CD1 3.8Å; F207-I212 HydrophobicContact CE1-CG2 4.43Å; F207-I212 HydrophobicContact CE2-CB 3.78Å; F207-I212 HydrophobicContact CE2-CD1 4Å; F207-I212 HydrophobicContact CE2-CG1 4.49Å; F207-I212 HydrophobicContact CE2-CG2 3.56Å; F207-I212 HydrophobicContact CG-CD1 3.99Å; F207-I212 HydrophobicContact CZ-CB 4.16Å; F207-I212 HydrophobicContact CZ-CD1 3.9Å; F207-I212 HydrophobicContact CZ-CG2 3.55Å; A210-I212 PolarHBondContact O-N 2.96Å; I212-K242 HydrophobicContact CG2-CB 4.31Å; I212-K242 HydrophobicContact CG2-CD 3.58Å; I212-V260 HydrophobicContact CD1-CG1 3.95Å; I212-V260 HydrophobicContact CG1-CG1 4.24Å; I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.37Å; I212-H262 HydrophobicContact CD1-CB 4.45Å; I212-H262 HydrophobicContact CG1-CB 4.2Å
213T98.4Very high97.4Very high57 Ų5745.4 Ų45.435%0.3524%0.243SC..EExtended strand (participates in β ladder)trans-112.5128172.8-550000109.7T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.03Å; T213-V260 WeakPolarHBondContact O-CA 3.18Å; T213-Q261 PolarHBondContact N-O 3.09Å; T213-Q261 PolarHBondContact O-N 3.5Å
214L98.4Very high97.1Very high7 Ų748.3 Ų48.34%0.03727%0.266CS..EExtended strand (participates in β ladder)trans-123.3120.1172.4-72.6169.9000108.4A204 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.26Å; A204-L214 HydrophobicContact CB-CD2 4.18Å; L214-L229 HydrophobicContact CB-CD1 4.17Å; L214-K242 HydrophobicContact CD1-CB 3.76Å; L214-K242 HydrophobicContact CD1-CD 3.81Å; L214-K242 HydrophobicContact CD1-CG 3.73Å; L214-K242 HydrophobicContact CG-CD 4.45Å; L214-A244 HydrophobicContact CB-CB 3.98Å; L214-H259 WeakPolarHBondContact CA-O 3.44Å; L214-V260 HydrophobicContact CD2-CB 4.2Å; L214-V260 HydrophobicContact CD2-CG1 3.88Å; L214-V260 HydrophobicContact CD2-CG2 3.61Å
215T98.4Very high96.8Very high39 Ų3957.3 Ų57.324%0.23931%0.308CS..EExtended strand (participates in β ladder)trans-131.8144.4176.955.20000111.3T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.03Å; T215-C258 CarbonylContact O-C 3.58Å; T215-C258 WeakPolarHBondContact O-CA 3.48Å; T215-H259 PolarHBondContact N-O 2.86Å; T215-H259 PolarHBondContact O-N 3.06Å
216W98.5Very high96.5Very high1 Ų160 Ų600%0.00432%0.323CS..EExtended strand (participates in β ladder)trans-100137.8167.8-82.4105.4000109.8V188 L200 C202 Q223 A244 V246 T257 C258V188-W216 HydrophobicContact CG1-CH2 3.87Å; V188-W216 HydrophobicContact CG1-CZ2 4.26Å; V188-W216 HydrophobicContact CG2-CH2 4.2Å; L200-W216 HydrophobicContact CB-CH2 3.71Å; L200-W216 HydrophobicContact CB-CZ2 3.76Å; L200-W216 HydrophobicContact CB-CZ3 4.49Å; L200-W216 HydrophobicContact CD1-CH2 4.06Å; L200-W216 HydrophobicContact CD1-CZ3 4.21Å; C202-W216 HydrophobicContact CB-CZ2 3.65Å; W216-Q223 HydrophobicContact CB-CB 4.32Å; W216-Q223 PolarHBondContact O-N 2.84Å; W216-A244 PolarHBondContact NE1-O 2.98Å; W216-V246 HydrophobicContact CB-CG1 3.7Å; W216-V246 HydrophobicContact CB-CG2 4.37Å; W216-V246 HydrophobicContact CD2-CG1 4.48Å; W216-V246 HydrophobicContact CD2-CG2 3.69Å; W216-V246 HydrophobicContact CE3-CG2 4.14Å; W216-V246 HydrophobicContact CG-CB 4.41Å; W216-V246 HydrophobicContact CG-CG1 3.69Å; W216-V246 HydrophobicContact CG-CG2 3.8Å; W216-V246 HydrophobicContact CZ2-CG2 4.45Å; W216-T257 CarbonylContact C-O 3.54Å; W216-T257 WeakPolarHBondContact CA-O 3.47Å; W216-C258 HydrophobicContact CD2-CB 4.11Å; W216-C258 HydrophobicContact CE3-CB 4.05Å; W216-C258 HydrophobicContact CH2-CB 3.94Å; W216-C258 HydrophobicContact CZ2-CB 4Å; W216-C258 HydrophobicContact CZ3-CB 3.97Å
217Q98.3Very high96.4Very high42 Ų4260.2 Ų60.220%0.19632%0.321CS..EExtended strand (participates in β ladder)trans-123.4140.6172.8-72.6-176.3-8.200110.9E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.58Å; Q217-E221 VanDerWaalsContact CA-O 3.22Å; Q217-E221 WeakPolarHBondContact CA-O 3.47Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.39Å; Q217-D222 PolarHBondContact NE2-OD1 3.48Å; Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 VanDerWaalsContact O-CA 3.28Å; Q217-Y256 WeakPolarHBondContact O-CA 3.31Å; Q217-T257 PolarHBondContact N-O 2.85Å; Q217-T257 PolarHBondContact O-N 2.81Å; Q217-H259 VanDerWaalsContact CD-NE2 3.35Å; Q217-H259 PolarHBondContact OE1-NE2 2.86Å
218W96.4Very high96.4Very high76 Ų7665.7 Ų65.729%0.28835%0.346SS..EExtended strand (participates in β ladder)trans-112116.8169.6176.475.2000108.7G220 E221 Q223 E252 R255 Y256W218-G220 PolarHBondContact O-N 2.8Å; W218-E221 PolarHBondContact N-O 2.9Å; W218-E221 PolarHBondContact O-N 2.66Å; W218-Q223 HydrophobicContact CB-CG 4.01Å; W218-E252 PolarHBondContact NE1-OE2 3.05Å; W218-R255 VanDerWaalsContact CE2-NH2 3.26Å; W218-R255 VanDerWaalsContact CZ2-NH1 3.28Å; W218-Y256 HydrophobicContact CB-CD1 4.18Å; W218-Y256 HydrophobicContact CB-CE1 3.91Å; W218-Y256 AromaticContact CD1-CE1 3.97Å; W218-Y256 AromaticContact CD1-CE2 3.52Å; W218-Y256 AromaticContact CD1-CZ 3.51Å; W218-Y256 HydrophobicContact CG-CE1 4.23Å; W218-Y256 HydrophobicContact CG-CE2 4.5Å
219D94.4Very high96.4Very high103 Ų10369.3 Ų69.355%0.55137%0.366SS*.THydrogen-bonded Turntrans48.730.6-173-68.7-16.3000114.4R255D219-R255 PolarHBondContact N-O 3.16Å; D219-R255 VanDerWaalsContact N-O 3.16Å; D219-R255 IonicContact OD1-NE 3.23Å; D219-R255 IonicContact OD2-CZ 3.68Å; D219-R255 VanDerWaalsContact OD2-CZ 3.23Å; D219-R255 IonicContact OD2-NE 3.9Å; D219-R255 PolarHBondContact OD2-NE 3.21Å; D219-R255 IonicContact OD2-NH2 2.71Å; D219-R255 PolarHBondContact OD2-NH2 3.27Å
220G91.6Very high96.4Very high46 Ų4670.2 Ų70.247%0.47437%0.371SS..THydrogen-bonded Turntrans93.5-2.5-179.600000115.3W218W218-G220 PolarHBondContact O-N 2.8Å
221E96.2Very high96.4Very high130 Ų13077.6 Ų77.661%0.60740%0.402SS*.EExtended strand (participates in β ladder)trans-97.2127.2177.7-63-169.817100112.2Q217 W218 Q223Q217-E221 CarbonylContact C-O 3.58Å; Q217-E221 VanDerWaalsContact CA-O 3.22Å; Q217-E221 WeakPolarHBondContact CA-O 3.47Å; W218-E221 PolarHBondContact N-O 2.9Å; W218-E221 PolarHBondContact O-N 2.66Å; E221-Q223 PolarHBondContact O-N 3.06Å; E221-Q223 PolarHBondContact O-NE2 3.14Å
222D96.4Very high96.4Very high95 Ų9572.7 Ų72.751%0.50838%0.383SS..EExtended strand (participates in β ladder)trans-62.5130.8-178.8-72.2-17.8000112.4Q217 T224Q217-D222 WeakPolarHBondContact CG-OD1 3.39Å; Q217-D222 PolarHBondContact NE2-OD1 3.48Å; D222-T224 PolarHBondContact O-N 2.81Å
223Q95.8Very high96.4Very high30 Ų3076.4 Ų76.414%0.1440%0.396CS..  trans-100.241.3-176.8-59-60.2-67.600112.3W216 W218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.32Å; W216-Q223 PolarHBondContact O-N 2.84Å; W218-Q223 HydrophobicContact CB-CG 4.01Å; E221-Q223 PolarHBondContact O-N 3.06Å; E221-Q223 PolarHBondContact O-NE2 3.14Å; Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.45Å; Q223-D226 PolarHBondContact O-N 2.87Å; Q223-T227 WeakPolarHBondContact O-CB 3.33Å; Q223-T227 PolarHBondContact O-N 3.21Å; Q223-T227 PolarHBondContact O-OG1 3.43Å; Q223-V246 HydrophobicContact CB-CG1 4.4Å; Q223-Y256 HydrophobicContact CG-CE1 4.42Å
224T92.1Very high96.4Very high108 Ų10878.2 Ų78.266%0.66341%0.408SS*.THydrogen-bonded Turntrans-60.2-34.8-169.5-48.40000114D222D222-T224 PolarHBondContact O-N 2.81Å
225Q92.9Very high96.3Very high190 Ų19080.2 Ų80.289%0.88843%0.426SS*.THydrogen-bonded Turntrans-75.6-31-179.1-66-172.80.200112.8Q223Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.45Å
226D92.3Very high96.2Very high111 Ų11182 Ų8259%0.59445%0.452SS*.THydrogen-bonded Turntrans-96.5-1.5-176.7-55-63.1000112.6Q223Q223-D226 PolarHBondContact O-N 2.87Å
227T96.9Very high96Very high24 Ų2487.6 Ų87.615%0.14748%0.482CS..  trans-89.9119.3178.9-62.50000110.9Q223 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.33Å; Q223-T227 PolarHBondContact O-N 3.21Å; Q223-T227 PolarHBondContact O-OG1 3.43Å; T227-L229 HydrophobicContact CG2-CB 4.36Å; T227-L229 PolarHBondContact O-N 3.35Å; T227-A244 HydrophobicContact CG2-CB 3.88Å; T227-A245 CarbonylContact C-O 3.54Å; T227-A245 WeakPolarHBondContact CA-O 3.32Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.46Å
228E97.8Very high95.7Very high115 Ų11588.1 Ų88.154%0.53750%0.499SS..EExtended strand (participates in β ladder)trans-75.9110.4162.4-172.8-175-172.300108.9W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.16Å; E228-W243 HydrophobicContact CG-CH2 3.84Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.5Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.4Å; E228-A244 CarbonylContact O-C 3.58Å; E228-A244 WeakPolarHBondContact O-CA 3.47Å; E228-A245 HydrophobicContact CB-CB 4.46Å; E228-A245 PolarHBondContact N-O 3.29Å; E228-A245 PolarHBondContact O-N 3.12Å
229L97.8Very high95.8Very high89 Ų8984.9 Ų84.947%0.46649%0.488SS..EExtended strand (participates in β ladder)trans-117119.1-179.2-172.568.8000110.3L214 T227 A244L214-L229 HydrophobicContact CB-CD1 4.17Å; T227-L229 HydrophobicContact CG2-CB 4.36Å; T227-L229 PolarHBondContact O-N 3.35Å; L229-A244 HydrophobicContact CD1-CB 3.63Å
230V97.8Very high96Very high33 Ų3381.3 Ų81.320%0.247%0.467CS..PPolyproline II helixtrans-82.5154175.3-65.60000112.3K242 W243V230-K242 HydrophobicContact CG2-CG 4.41Å; V230-K242 WeakPolarHBondContact O-CE 3.36Å; V230-K242 PolarHBondContact O-NZ 3.32Å; V230-W243 HydrophobicContact CB-CZ2 4.42Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.36Å; V230-W243 HydrophobicContact CG1-CH2 3.65Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; 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 4.46Å; V230-W243 WeakPolarHBondContact CG2-O 3.32Å; V230-W243 PolarHBondContact N-O 2.84Å
231E97.8Very high96.3Very high172 Ų17281.3 Ų81.380%0.80446%0.455SS*.PPolyproline II helixtrans-56.5146166.8-68.5-173.8172.400111R233E231-R233 PolarHBondContact O-N 3.01Å
232T98.5Very high96.4Very high45 Ų4576.1 Ų76.128%0.27643%0.431SS..PPolyproline II helixtrans-65.5128.4172-55.90000108.3F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.02Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; A210-T232 HydrophobicContact CB-CG2 4.29Å; T232-F240 HydrophobicContact CG2-CB 3.81Å; T232-F240 HydrophobicContact CG2-CD1 3.93Å; T232-F240 HydrophobicContact CG2-CG 4.14Å; T232-K242 WeakPolarHBondContact OG1-CD 3.45Å; T232-K242 PolarHBondContact OG1-NZ 2.86Å
233R98.3Very high96.5Very high92 Ų9272.8 Ų72.835%0.34741%0.411SS..EExtended strand (participates in β ladder)trans-126.5144.9-174.168.6-168-179.1-169.92.1111.4E231 F240 Q241E231-R233 PolarHBondContact O-N 3.01Å; R233-F240 WeakPolarHBondContact O-CA 3.46Å; R233-Q241 HydrophobicContact CG-CG 3.6Å; R233-Q241 PolarHBondContact N-O 3.49Å; R233-Q241 WeakPolarHBondContact O-CG 3.35Å; R233-Q241 PolarHBondContact O-N 2.93Å
234P97.9Very high96.7Very high94 Ų9471.4 Ų71.461%0.6140%0.404SS*.EExtended strand (participates in β ladder)trans-69.1144.617928.7-34.7000111.1F240P234-F240 HydrophobicContact CB-CE1 4.37Å
235A97.4Very high97Very high50 Ų5066.3 Ų66.341%0.41337%0.373SS..  trans-87.2-18.7172.700000112.8D237 T239A235-D237 WeakPolarHBondContact CB-OD1 3.44Å; A235-T239 WeakPolarHBondContact CB-O 3.39Å; A235-T239 PolarHBondContact N-O 2.97Å
236G95Very high97.2Very high76 Ų7657.5 Ų57.578%0.78433%0.332SS*.SBendtrans96.1-5.4179.200000114.9
237D94.2Very high97.5Very high118 Ų11856 Ų5663%0.63133%0.327SS*.SBendtrans-106.711.1177.161.21.5000113.2A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.44Å; D237-T239 WeakPolarHBondContact OD1-CB 3.48Å; D237-T239 PolarHBondContact OD1-N 3.5Å; D237-T239 PolarHBondContact OD1-OG1 3.41Å
238G93.1Very high97.5Very high54 Ų5455 Ų5556%0.55732%0.321SS*.SBendtrans94.6-8.4-173.600000114Y208Y208-G238 WeakPolarHBondContact CD2-O 3.39Å
239T97.6Very high97.5Very high7 Ų752 Ų524%0.04331%0.311CS..  trans-101.2173176.774.10000112.8G206 F207 A235 D237G206-T239 WeakPolarHBondContact CA-OG1 3.22Å; F207-T239 CarbonylContact O-C 3.59Å; F207-T239 WeakPolarHBondContact O-CA 3.39Å; A235-T239 WeakPolarHBondContact CB-O 3.39Å; A235-T239 PolarHBondContact N-O 2.97Å; D237-T239 WeakPolarHBondContact OD1-CB 3.48Å; D237-T239 PolarHBondContact OD1-N 3.5Å; D237-T239 PolarHBondContact OD1-OG1 3.41Å
240F98.6Very high97.3Very high29 Ų2950.5 Ų50.513%0.12731%0.308CS..EExtended strand (participates in β ladder)trans-120.9162.5-178.5-63.4-87.1000112.1D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.82Å; D29-F240 HydrophobicContact CB-CZ 3.76Å; G206-F240 PolarHBondContact N-O 2.84Å; F207-F240 VanDerWaalsContact CD1-O 3.29Å; F207-F240 WeakPolarHBondContact CD1-O 3.37Å; F207-F240 HydrophobicContact CD2-CB 3.88Å; F207-F240 HydrophobicContact CE1-CB 4.25Å; F207-F240 WeakPolarHBondContact CE1-O 3.37Å; F207-F240 HydrophobicContact CE2-CB 3.44Å; F207-F240 VanDerWaalsContact CE2-CB 3.44Å; F207-F240 HydrophobicContact CE2-CG 4.43Å; F207-F240 HydrophobicContact CG-CB 4.44Å; F207-F240 HydrophobicContact CZ-CB 3.63Å; F207-F240 PolarHBondContact N-O 2.7Å; F207-F240 PolarHBondContact O-N 3.12Å; Y208-F240 HydrophobicContact CD2-CD2 4.49Å; Y208-F240 AromaticContact CD2-CE2 3.99Å; Y208-F240 HydrophobicContact CD2-CE2 3.99Å; Y208-F240 HydrophobicContact CE2-CE2 4.48Å; A210-F240 HydrophobicContact CB-CD1 3.74Å; A210-F240 HydrophobicContact CB-CD2 3.74Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.69Å; A210-F240 HydrophobicContact CB-CG 3.78Å; A210-F240 HydrophobicContact CB-CZ 3.68Å; T232-F240 HydrophobicContact CG2-CB 3.81Å; T232-F240 HydrophobicContact CG2-CD1 3.93Å; T232-F240 HydrophobicContact CG2-CG 4.14Å; R233-F240 WeakPolarHBondContact O-CA 3.46Å; P234-F240 HydrophobicContact CB-CE1 4.37Å
241Q98.6Very high97.1Very high46 Ų4652.1 Ų52.122%0.21533%0.332CS..EExtended strand (participates in β ladder)trans-140.8147.3174.443.6165.7-20.200110.2A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.39Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å; R233-Q241 HydrophobicContact CG-CG 3.6Å; R233-Q241 PolarHBondContact N-O 3.49Å; R233-Q241 WeakPolarHBondContact O-CG 3.35Å; R233-Q241 PolarHBondContact O-N 2.93Å
242K98.8Very high97.1Very high21 Ų2147 Ų479%0.09131%0.308CS..EExtended strand (participates in β ladder)trans-153.2154.6177.9-163-176.2-175.470.90109A204 F207 I212 L214 V230 T232A204-K242 PolarHBondContact N-O 3.36Å; A204-K242 PolarHBondContact O-N 2.99Å; A204-K242 VanDerWaalsContact O-O 3.11Å; F207-K242 HydrophobicContact CE1-CB 4.34Å; F207-K242 HydrophobicContact CZ-CB 4.07Å; I212-K242 HydrophobicContact CG2-CB 4.31Å; I212-K242 HydrophobicContact CG2-CD 3.58Å; L214-K242 HydrophobicContact CD1-CB 3.76Å; L214-K242 HydrophobicContact CD1-CD 3.81Å; L214-K242 HydrophobicContact CD1-CG 3.73Å; L214-K242 HydrophobicContact CG-CD 4.45Å; V230-K242 HydrophobicContact CG2-CG 4.41Å; V230-K242 WeakPolarHBondContact O-CE 3.36Å; V230-K242 PolarHBondContact O-NZ 3.32Å; T232-K242 WeakPolarHBondContact OG1-CD 3.45Å; T232-K242 PolarHBondContact OG1-NZ 2.86Å
243W98.6Very high97Very high25 Ų2545.9 Ų45.910%0.09530%0.3CS..EExtended strand (participates in β ladder)trans-143.4155.7169.859.7-98.6000111.4R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 3.98Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.92Å; R201-W243 HydrophobicContact CG-CG 4.21Å; C202-W243 CarbonylContact O-C 3.49Å; C202-W243 WeakPolarHBondContact O-CA 3.44Å; C202-W243 VanDerWaalsContact O-CB 3.24Å; C202-W243 WeakPolarHBondContact O-CB 3.18Å; W203-W243 HydrophobicContact CD2-CB 3.92Å; W203-W243 HydrophobicContact CD2-CG 4.47Å; W203-W243 HydrophobicContact CE3-CB 3.83Å; W203-W243 AromaticContact CE3-CD1 3.9Å; W203-W243 HydrophobicContact CE3-CG 4.19Å; W203-W243 HydrophobicContact CG-CB 4.39Å; W203-W243 AromaticContact CH2-CD1 3.54Å; W203-W243 HydrophobicContact CH2-CG 4.18Å; W203-W243 HydrophobicContact CZ2-CG 4.44Å; W203-W243 HydrophobicContact CZ3-CB 4.21Å; W203-W243 AromaticContact CZ3-CD1 3.38Å; W203-W243 HydrophobicContact CZ3-CG 4.06Å; E228-W243 HydrophobicContact CB-CZ3 4.16Å; E228-W243 HydrophobicContact CG-CH2 3.84Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.5Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.4Å; V230-W243 HydrophobicContact CB-CZ2 4.42Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.36Å; V230-W243 HydrophobicContact CG1-CH2 3.65Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; 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 4.46Å; V230-W243 WeakPolarHBondContact CG2-O 3.32Å; V230-W243 PolarHBondContact N-O 2.84Å; W243-A245 HydrophobicContact CE3-CB 3.92Å; W243-A245 HydrophobicContact CZ3-CB 3.64Å
244A98.6Very high96.9Very high0 Ų046.6 Ų46.60%031%0.307CS..EExtended strand (participates in β ladder)trans-128.5133.1173.900000108.6R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.26Å; C202-A244 PolarHBondContact N-O 3.41Å; C202-A244 PolarHBondContact O-N 3.13Å; L214-A244 HydrophobicContact CB-CB 3.98Å; W216-A244 PolarHBondContact NE1-O 2.98Å; T227-A244 HydrophobicContact CG2-CB 3.88Å; E228-A244 CarbonylContact O-C 3.58Å; E228-A244 WeakPolarHBondContact O-CA 3.47Å; L229-A244 HydrophobicContact CD1-CB 3.63Å
245A98.5Very high96.9Very high2 Ų246.1 Ų46.12%0.01729%0.293CS..EExtended strand (participates in β ladder)trans-128146.2-179.700000112.4T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.9Å; L200-A245 CarbonylContact O-C 3.47Å; L200-A245 WeakPolarHBondContact O-CA 3.44Å; R201-A245 HydrophobicContact CB-CB 4.01Å; R201-A245 HydrophobicContact CG-CB 4.15Å; T227-A245 CarbonylContact C-O 3.54Å; T227-A245 WeakPolarHBondContact CA-O 3.32Å; E228-A245 HydrophobicContact CB-CB 4.46Å; E228-A245 PolarHBondContact N-O 3.29Å; E228-A245 PolarHBondContact O-N 3.12Å; W243-A245 HydrophobicContact CE3-CB 3.92Å; W243-A245 HydrophobicContact CZ3-CB 3.64Å
246V98.1Very high96.9Very high4 Ų444.7 Ų44.72%0.02428%0.277CS..EExtended strand (participates in β ladder)trans-130.9145.3172.8-72.70000109.1T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.04Å; L200-V246 HydrophobicContact CB-CG2 4.2Å; L200-V246 PolarHBondContact N-O 3.13Å; L200-V246 PolarHBondContact O-N 3.07Å; W216-V246 HydrophobicContact CB-CG1 3.7Å; W216-V246 HydrophobicContact CB-CG2 4.37Å; W216-V246 HydrophobicContact CD2-CG1 4.48Å; W216-V246 HydrophobicContact CD2-CG2 3.69Å; W216-V246 HydrophobicContact CE3-CG2 4.14Å; W216-V246 HydrophobicContact CG-CB 4.41Å; W216-V246 HydrophobicContact CG-CG1 3.69Å; W216-V246 HydrophobicContact CG-CG2 3.8Å; W216-V246 HydrophobicContact CZ2-CG2 4.45Å; Q223-V246 HydrophobicContact CB-CG1 4.4Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.46Å; V246-V248 HydrophobicContact CB-CG1 4.33Å; V246-V248 HydrophobicContact CG2-CG1 3.71Å; V246-Y256 HydrophobicContact CG2-CD1 4.02Å; V246-Y256 HydrophobicContact CG2-CE1 4.42Å
247V97.8Very high97.1Very high81 Ų8141.5 Ų41.549%0.49124%0.242SC..EExtended strand (participates in β ladder)trans-88.2128.2167.9-178.20000107.5E197 A198E197-V247 HydrophobicContact CB-CG1 4.02Å; E197-V247 HydrophobicContact CG-CG1 4.24Å; A198-V247 WeakPolarHBondContact O-CA 3.27Å
248V97Very high97.3Very high1 Ų135.9 Ų35.91%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-127.3146.7-174.1-520000110.4E197 A198 L200 V246 E253 Y256E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.19Å; A198-V248 PolarHBondContact N-O 2.88Å; A198-V248 PolarHBondContact O-N 2.64Å; L200-V248 HydrophobicContact CD1-CG1 4.03Å; L200-V248 HydrophobicContact CD1-CG2 4.04Å; L200-V248 HydrophobicContact CG-CG1 4.19Å; L200-V248 HydrophobicContact CG-CG2 3.85Å; V246-V248 HydrophobicContact CB-CG1 4.33Å; V246-V248 HydrophobicContact CG2-CG1 3.71Å; V248-E253 HydrophobicContact CG2-CG 4.03Å; V248-Y256 HydrophobicContact CB-CD2 3.95Å; V248-Y256 HydrophobicContact CB-CE2 3.6Å; V248-Y256 HydrophobicContact CG1-CD1 3.79Å; V248-Y256 HydrophobicContact CG1-CD2 3.55Å; V248-Y256 HydrophobicContact CG1-CE1 3.69Å; V248-Y256 HydrophobicContact CG1-CE2 3.46Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.46Å; V248-Y256 HydrophobicContact CG1-CG 3.71Å
249P96.9Very high97.5Very high52 Ų5235 Ų3534%0.33819%0.193SC..EExtended strand (participates in β ladder)trans-62.8139.7170.5-2032.2000111.3H196 G251 E252H196-P249 WeakPolarHBondContact O-CA 3.14Å; P249-G251 PolarHBondContact O-N 2.83Å; P249-E252 HydrophobicContact CB-CB 4.34Å; P249-E252 HydrophobicContact CB-CG 4.13Å; P249-E252 PolarHBondContact O-N 2.92Å; P249-E252 VanDerWaalsContact O-N 3.07Å
250S94.5Very high97.6Very high58 Ų5834.6 Ų34.641%0.40619%0.191SC..THydrogen-bonded Turntrans-60.1128.2175.5-630000111.2H196 E197 E253H196-S250 VanDerWaalsContact C-OG 3.26Å; H196-S250 PolarHBondContact O-N 3.36Å; E197-S250 PolarHBondContact N-OG 2.89Å; S250-E253 WeakPolarHBondContact CA-OE1 3.37Å
251G94.4Very high97.6Very high68 Ų6838.2 Ų38.270%0.70121%0.208SC*.THydrogen-bonded Turntrans92.4-7.5-175.800000114.9P249 E253P249-G251 PolarHBondContact O-N 2.83Å; G251-E253 WeakPolarHBondContact CA-OE2 3.34Å; G251-E253 VanDerWaalsContact N-CD 3.29Å; G251-E253 PolarHBondContact N-OE1 2.95Å; G251-E253 PolarHBondContact N-OE2 3.35Å
252E96.4Very high97.6Very high63 Ų6336.7 Ų36.729%0.29420%0.202SC..  trans-100.24.4175.9-65.7-159.1-155.700113.7W218 P249 Q254 R255 Y256W218-E252 PolarHBondContact NE1-OE2 3.05Å; P249-E252 HydrophobicContact CB-CB 4.34Å; P249-E252 HydrophobicContact CB-CG 4.13Å; P249-E252 PolarHBondContact O-N 2.92Å; P249-E252 VanDerWaalsContact O-N 3.07Å; E252-Q254 PolarHBondContact O-N 3.43Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; E252-R255 WeakPolarHBondContact O-CB 3.46Å; E252-R255 PolarHBondContact O-N 3.28Å; E252-R255 IonicContact OE1-NH1 3.9Å; E252-R255 IonicContact OE2-CZ 3.81Å; E252-R255 IonicContact OE2-NH1 3.55Å; E252-R255 PolarHBondContact OE2-NH1 3.2Å; E252-Y256 HydrophobicContact CB-CE2 4.35Å; E252-Y256 WeakPolarHBondContact O-CD2 3.34Å
253E96.4Very high97.4Very high22 Ų2242.1 Ų42.110%0.10323%0.227CC..G310 helixtrans-57.7-34.6-169.4-57.782.7178.600112.9H190 L200 V248 S250 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 3.93Å; L200-E253 HydrophobicContact CD1-CB 4.15Å; L200-E253 HydrophobicContact CD2-CG 4.35Å; V248-E253 HydrophobicContact CG2-CG 4.03Å; S250-E253 WeakPolarHBondContact CA-OE1 3.37Å; G251-E253 WeakPolarHBondContact CA-OE2 3.34Å; G251-E253 VanDerWaalsContact N-CD 3.29Å; G251-E253 PolarHBondContact N-OE1 2.95Å; G251-E253 PolarHBondContact N-OE2 3.35Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 3.05Å; E253-Y256 PolarHBondContact O-N 3.48Å; E253-W273 HydrophobicContact CB-CE3 3.61Å; E253-W273 HydrophobicContact CB-CZ3 4.1Å; E253-W273 HydrophobicContact CG-CE3 3.74Å; E253-W273 HydrophobicContact CG-CZ3 3.87Å
254Q96.6Very high97.2Very high107 Ų10742 Ų4250%0.523%0.233SC..G310 helixtrans-71.9-16.9-178.6-64.8-58.9-47.200114.2E252 Y256 R272 W273E252-Q254 PolarHBondContact O-N 3.43Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; Q254-Y256 VanDerWaalsContact C-N 3.28Å; Q254-R272 PolarHBondContact O-NE 3.37Å; Q254-R272 VanDerWaalsContact O-NE 3.12Å; Q254-W273 PolarHBondContact NE2-O 3.34Å
255R97.2Very high97.2Very high85 Ų8543.2 Ų43.232%0.32124%0.24SC..G310 helixtrans-76.2-21.1173.8-61177.370.7-170.64111.9W218 D219 E252 E253W218-R255 VanDerWaalsContact CE2-NH2 3.26Å; W218-R255 VanDerWaalsContact CZ2-NH1 3.28Å; D219-R255 PolarHBondContact N-O 3.16Å; D219-R255 VanDerWaalsContact N-O 3.16Å; D219-R255 IonicContact OD1-NE 3.23Å; D219-R255 IonicContact OD2-CZ 3.68Å; D219-R255 VanDerWaalsContact OD2-CZ 3.23Å; D219-R255 IonicContact OD2-NE 3.9Å; D219-R255 PolarHBondContact OD2-NE 3.21Å; D219-R255 IonicContact OD2-NH2 2.71Å; D219-R255 PolarHBondContact OD2-NH2 3.27Å; E252-R255 WeakPolarHBondContact O-CB 3.46Å; E252-R255 PolarHBondContact O-N 3.28Å; E252-R255 IonicContact OE1-NH1 3.9Å; E252-R255 IonicContact OE2-CZ 3.81Å; E252-R255 IonicContact OE2-NH1 3.55Å; E252-R255 PolarHBondContact OE2-NH1 3.2Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 3.05Å
256Y98.1Very high97.1Very high20 Ų2049.5 Ų49.58%0.07828%0.281CS..EExtended strand (participates in β ladder)trans-88.9131.5179-68.9-94.5000110.9L200 Q217 W218 Q223 V246 V248 E252 E253 Q254L200-Y256 HydrophobicContact CD1-CG 4.44Å; Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 VanDerWaalsContact O-CA 3.28Å; Q217-Y256 WeakPolarHBondContact O-CA 3.31Å; W218-Y256 HydrophobicContact CB-CD1 4.18Å; W218-Y256 HydrophobicContact CB-CE1 3.91Å; W218-Y256 AromaticContact CD1-CE1 3.97Å; W218-Y256 AromaticContact CD1-CE2 3.52Å; W218-Y256 AromaticContact CD1-CZ 3.51Å; W218-Y256 HydrophobicContact CG-CE1 4.23Å; W218-Y256 HydrophobicContact CG-CE2 4.5Å; Q223-Y256 HydrophobicContact CG-CE1 4.42Å; V246-Y256 HydrophobicContact CG2-CD1 4.02Å; V246-Y256 HydrophobicContact CG2-CE1 4.42Å; V248-Y256 HydrophobicContact CB-CD2 3.95Å; V248-Y256 HydrophobicContact CB-CE2 3.6Å; V248-Y256 HydrophobicContact CG1-CD1 3.79Å; V248-Y256 HydrophobicContact CG1-CD2 3.55Å; V248-Y256 HydrophobicContact CG1-CE1 3.69Å; V248-Y256 HydrophobicContact CG1-CE2 3.46Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.46Å; V248-Y256 HydrophobicContact CG1-CG 3.71Å; E252-Y256 HydrophobicContact CB-CE2 4.35Å; E252-Y256 WeakPolarHBondContact O-CD2 3.34Å; E253-Y256 PolarHBondContact O-N 3.48Å; Q254-Y256 VanDerWaalsContact C-N 3.28Å
257T98.4Very high97Very high9 Ų956 Ų566%0.05531%0.31CS..EExtended strand (participates in β ladder)trans-127.7131.9175.654.40000110.2W216 Q217 H259 T270 L271 R272W216-T257 CarbonylContact C-O 3.54Å; W216-T257 WeakPolarHBondContact CA-O 3.47Å; Q217-T257 PolarHBondContact N-O 2.85Å; Q217-T257 PolarHBondContact O-N 2.81Å; T257-H259 PolarHBondContact OG1-NE2 3.06Å; T257-H259 VanDerWaalsContact OG1-NE2 3.14Å; T257-T270 HydrophobicContact CG2-CG2 4.06Å; T257-L271 CarbonylContact C-O 3.45Å; T257-L271 VanDerWaalsContact CA-O 3.3Å; T257-L271 WeakPolarHBondContact CA-O 3.43Å; T257-R272 HydrophobicContact CG2-CG 3.74Å; T257-R272 VanDerWaalsContact CG2-CZ 3.5Å; T257-R272 VanDerWaalsContact CG2-NE 3.34Å
258C98.6Very high97Very high0 Ų055.7 Ų55.70%031%0.31CS..EExtended strand (participates in β ladder)trans-92.3130.3170.6174.40000109.5C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.49Å; C202-C258 WeakPolarHBondContact SG-CB 3.49Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 3.49Å; T215-C258 CarbonylContact O-C 3.58Å; T215-C258 WeakPolarHBondContact O-CA 3.48Å; W216-C258 HydrophobicContact CD2-CB 4.11Å; W216-C258 HydrophobicContact CE3-CB 4.05Å; W216-C258 HydrophobicContact CH2-CB 3.94Å; W216-C258 HydrophobicContact CZ2-CB 4Å; W216-C258 HydrophobicContact CZ3-CB 3.97Å; C258-T270 CarbonylContact O-C 3.5Å; C258-T270 WeakPolarHBondContact O-CA 3.34Å; C258-L271 HydrophobicContact CB-CB 4.3Å; C258-L271 PolarHBondContact N-O 3.32Å; C258-L271 PolarHBondContact O-N 3.13Å
259H98.4Very high97Very high34 Ų3458.2 Ų58.216%0.15732%0.324CS..EExtended strand (participates in β ladder)trans-109.5133.1175.5-63.7-99000110.5L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.44Å; T215-H259 PolarHBondContact N-O 2.86Å; T215-H259 PolarHBondContact O-N 3.06Å; Q217-H259 VanDerWaalsContact CD-NE2 3.35Å; Q217-H259 PolarHBondContact OE1-NE2 2.86Å; T257-H259 PolarHBondContact OG1-NE2 3.06Å; T257-H259 VanDerWaalsContact OG1-NE2 3.14Å; H259-L269 CarbonylContact C-O 3.58Å; H259-L269 VanDerWaalsContact CA-O 3.28Å; H259-L269 WeakPolarHBondContact CA-O 3.46Å; H259-T270 PolarHBondContact CE1-OG1 3.45Å; H259-T270 PolarHBondContact ND1-OG1 2.88Å
260V98.6Very high97.1Very high0 Ų059.7 Ų59.70%033%0.332CS..EExtended strand (participates in β ladder)trans-123.8123.8-178.7-166.30000109.8P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.95Å; T186-V260 HydrophobicContact CG2-CB 4.36Å; T186-V260 HydrophobicContact CG2-CG1 4.11Å; T186-V260 HydrophobicContact CG2-CG2 3.92Å; I212-V260 HydrophobicContact CD1-CG1 3.95Å; I212-V260 HydrophobicContact CG1-CG1 4.24Å; T213-V260 WeakPolarHBondContact O-CA 3.18Å; L214-V260 HydrophobicContact CD2-CB 4.2Å; L214-V260 HydrophobicContact CD2-CG1 3.88Å; L214-V260 HydrophobicContact CD2-CG2 3.61Å; V260-L265 HydrophobicContact CG1-CD1 4.4Å; V260-P268 WeakPolarHBondContact O-CA 3.36Å; V260-L269 HydrophobicContact CB-CB 4.31Å; V260-L269 PolarHBondContact N-O 3.36Å; V260-L269 PolarHBondContact O-N 3.25Å; V260-L271 HydrophobicContact CG2-CD1 3.64Å
261Q98.5Very high97.3Very high104 Ų10458.6 Ų58.649%0.48632%0.321SS..EExtended strand (participates in β ladder)trans-119.8130.1173-57.2178.2-2.900109.6I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.37Å; T213-Q261 PolarHBondContact N-O 3.09Å; T213-Q261 PolarHBondContact O-N 3.5Å; Q261-P268 HydrophobicContact CG-CB 4.03Å; Q261-P268 HydrophobicContact CG-CG 4.12Å
262H98.3Very high97.4Very high15 Ų1562.2 Ų62.27%0.06931%0.314CS..  trans-154.2146.3179.5-175.3-94.5000108.8E182 P184 F207 Y208 P209 E211 I212 G264 L265E182-H262 PolarHBondContact O-CE1 2.83Å; P184-H262 HydrophobicContact CG-CB 4.05Å; F207-H262 AromaticContact CD2-CD2 3.87Å; F207-H262 AromaticContact CD2-NE2 3.82Å; Y208-H262 PolarHBondContact O-CE1 3.34Å; P209-H262 PolarHBondContact O-NE2 3.24Å; E211-H262 PolarHBondContact O-CD2 2.9Å; I212-H262 HydrophobicContact CD1-CB 4.45Å; I212-H262 HydrophobicContact CG1-CB 4.2Å; H262-G264 PolarHBondContact ND1-N 3.18Å; H262-G264 PolarHBondContact O-N 3.34Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.18Å; H262-L265 WeakPolarHBondContact O-CB 3.49Å; H262-L265 PolarHBondContact O-N 2.91Å
263E95.9Very high97.2Very high134 Ų13466 Ų6663%0.62633%0.325SS*.THydrogen-bonded Turntrans-65.1-21.9-177.363.8159-149.600114.2A181 P209 L265A181-E263 HydrophobicContact CB-CG 4.1Å; P209-E263 VanDerWaalsContact CD-CD 3.41Å; P209-E263 WeakPolarHBondContact CD-OE1 3.22Å; P209-E263 VanDerWaalsContact CG-CD 3.44Å; P209-E263 HydrophobicContact CG-CG 3.79Å; P209-E263 WeakPolarHBondContact CG-OE1 3.46Å; E263-L265 VanDerWaalsContact C-N 3.26Å; E263-L265 PolarHBondContact O-N 2.78Å
264G94.9Very high97.3Very high22 Ų2268.2 Ų68.223%0.22734%0.336CS..THydrogen-bonded Turntrans-78.5-7.6175.100000113.9A181 H262A181-G264 VanDerWaalsContact CB-CA 3.49Å; H262-G264 PolarHBondContact ND1-N 3.18Å; H262-G264 PolarHBondContact O-N 3.34Å
265L97.3Very high97.3Very high27 Ų2766.1 Ų66.114%0.14133%0.328CS..  trans-94.4131.9176-66.6170.2000110.5H183 P184 V260 H262 E263 E267 L269H183-L265 HydrophobicContact CB-CD2 3.92Å; H183-L265 HydrophobicContact CB-CG 4.47Å; P184-L265 HydrophobicContact CG-CD1 3.9Å; P184-L265 HydrophobicContact CG-CD2 4.49Å; P184-L265 HydrophobicContact CG-CG 4.26Å; V260-L265 HydrophobicContact CG1-CD1 4.4Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.18Å; H262-L265 WeakPolarHBondContact O-CB 3.49Å; H262-L265 PolarHBondContact O-N 2.91Å; E263-L265 VanDerWaalsContact C-N 3.26Å; E263-L265 PolarHBondContact O-N 2.78Å; L265-E267 VanDerWaalsContact C-N 3.25Å; L265-E267 WeakPolarHBondContact CB-O 3.47Å; L265-E267 PolarHBondContact O-N 3.13Å; L265-L269 HydrophobicContact CD1-CD1 4.04Å; L265-L269 HydrophobicContact CD1-CG 3.92Å; L265-L269 HydrophobicContact CD2-CD1 3.76Å; L265-L269 HydrophobicContact CD2-CD2 4.47Å; L265-L269 HydrophobicContact CD2-CG 3.99Å
266P96.1Very high97.3Very high134 Ų13465.1 Ų65.187%0.8733%0.328SS*.SBendtrans-67.6-29.3175.228-34000112.3
267E96.7Very high97.3Very high139 Ų13967.7 Ų67.765%0.6534%0.343SS*.SBendtrans-145.4152.2175.162.7-173.4172.200109.9L265L265-E267 VanDerWaalsContact C-N 3.25Å; L265-E267 WeakPolarHBondContact CB-O 3.47Å; L265-E267 PolarHBondContact O-N 3.13Å
268P97.6Very high97.2Very high75 Ų7571.4 Ų71.449%0.48736%0.361SS..  trans-55.8142.1174.2-25.535.6000112.2V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.36Å; Q261-P268 HydrophobicContact CG-CB 4.03Å; Q261-P268 HydrophobicContact CG-CG 4.12Å
269L98.1Very high97.1Very high55 Ų5576.1 Ų76.129%0.28839%0.385SS..EExtended strand (participates in β ladder)trans-93.6138175.6-61.5178.1000110.5T186 H259 V260 L265T186-L269 HydrophobicContact CG2-CD1 4.32Å; H259-L269 CarbonylContact C-O 3.58Å; H259-L269 VanDerWaalsContact CA-O 3.28Å; H259-L269 WeakPolarHBondContact CA-O 3.46Å; V260-L269 HydrophobicContact CB-CB 4.31Å; V260-L269 PolarHBondContact N-O 3.36Å; V260-L269 PolarHBondContact O-N 3.25Å; L265-L269 HydrophobicContact CD1-CD1 4.04Å; L265-L269 HydrophobicContact CD1-CG 3.92Å; L265-L269 HydrophobicContact CD2-CD1 3.76Å; L265-L269 HydrophobicContact CD2-CD2 4.47Å; L265-L269 HydrophobicContact CD2-CG 3.99Å
270T98.3Very high97Very high83 Ų8379.1 Ų79.151%0.50940%0.401SS..EExtended strand (participates in β ladder)trans-115122.8169-54.80000109.4T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 4.06Å; C258-T270 CarbonylContact O-C 3.5Å; C258-T270 WeakPolarHBondContact O-CA 3.34Å; H259-T270 PolarHBondContact CE1-OG1 3.45Å; H259-T270 PolarHBondContact ND1-OG1 2.88Å
271L97.8Very high96.9Very high35 Ų3585.2 Ų85.218%0.18343%0.432CS..EExtended strand (participates in β ladder)trans-119.1146.9-175.5-59.2140.4000110.3T186 V188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.27Å; V188-L271 HydrophobicContact CG2-CB 3.87Å; T257-L271 CarbonylContact C-O 3.45Å; T257-L271 VanDerWaalsContact CA-O 3.3Å; T257-L271 WeakPolarHBondContact CA-O 3.43Å; C258-L271 HydrophobicContact CB-CB 4.3Å; C258-L271 PolarHBondContact N-O 3.32Å; C258-L271 PolarHBondContact O-N 3.13Å; V260-L271 HydrophobicContact CG2-CD1 3.64Å
272R96.5Very high96.7Very high143 Ų14383.7 Ų83.754%0.5443%0.427SS..  trans-125164.5167.1-71.1-174.5174.7993.3108.7Q254 T257Q254-R272 PolarHBondContact O-NE 3.37Å; Q254-R272 VanDerWaalsContact O-NE 3.12Å; T257-R272 HydrophobicContact CG2-CG 3.74Å; T257-R272 VanDerWaalsContact CG2-CZ 3.5Å; T257-R272 VanDerWaalsContact CG2-NE 3.34Å
273W93.5Very high96.6Very high142 Ų14289.9 Ų89.954%0.53846%0.46SS..  trans-72.50166.7174.554.6000111V188 H190 L200 E253 Q254V188-W273 HydrophobicContact CG1-CB 3.9Å; H190-W273 HydrophobicContact CB-CD2 3.84Å; H190-W273 VanDerWaalsContact CB-CE2 3.43Å; H190-W273 HydrophobicContact CB-CG 3.95Å; H190-W273 HydrophobicContact CB-CZ2 3.96Å; H190-W273 VanDerWaalsContact CB-NE1 3.29Å; H190-W273 AromaticContact CG-CE2 3.68Å; H190-W273 AromaticContact CG-CZ2 3.75Å; H190-W273 AromaticContact ND1-CZ2 3.85Å; L200-W273 HydrophobicContact CD2-CB 3.87Å; L200-W273 HydrophobicContact CD2-CD2 4.49Å; L200-W273 HydrophobicContact CD2-CG 4.11Å; E253-W273 HydrophobicContact CB-CE3 3.61Å; E253-W273 HydrophobicContact CB-CZ3 4.1Å; E253-W273 HydrophobicContact CG-CE3 3.74Å; E253-W273 HydrophobicContact CG-CZ3 3.87Å; Q254-W273 PolarHBondContact NE2-O 3.34Å

Retrieved 273 of 273 residues in 56.1 ms (Link to these results)

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