A0A087X4F3_POEFO Loading...

N-acetyl-D-glucosamine kinase

AlphaFold DB , UniProt , Accession A0A087X4F3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 349 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
1M60Low87.6Confident197 Ų19742.1 Ų42.197%0.9726%0.255SS*.  0150.20-78.3-169.6-97.800108.2
2A79.8Confident86.1Confident85 Ų8542 Ų4270%0.70227%0.269SS*.  trans-64.5143.1173.200000110
3S93Very high84.8Confident58 Ų5847.2 Ų47.241%0.40630%0.3SS..  trans-62.6138.3177.1-61.20000111.1
4V97.2Very high84.5Confident22 Ų2252.6 Ų52.613%0.13332%0.319CS..EExtended strand (participates in β ladder)trans-114.8133.2177.9-177.10000109.6L19 L20 L27 L62 L68 R69V4-L19 HydrophobicContact CG1-CB 4.03Å; V4-L20 WeakPolarHBondContact CA-O 3.39Å; V4-L27 HydrophobicContact CG1-CD1 4.05Å; V4-L27 HydrophobicContact CG2-CD1 3.95Å; V4-L62 HydrophobicContact CG1-CD1 4.1Å; V4-L62 HydrophobicContact CG2-CD1 4.01Å; V4-L68 HydrophobicContact CB-CD2 4.14Å; V4-L68 HydrophobicContact CG1-CD2 3.75Å; V4-R69 WeakPolarHBondContact O-CB 3.32Å; V4-R69 PolarHBondContact O-N 2.99Å
5Y98.1Very high84.9Confident17 Ų1749.1 Ų49.17%0.06730%0.298CS..EExtended strand (participates in β ladder)trans-111.6136.1-179.9-56.3-90.7000109.2L19 L20 R69 C70 A321 F326 V328Y5-L19 CarbonylContact O-C 3.49Å; Y5-L19 WeakPolarHBondContact O-CA 3.44Å; Y5-L20 PolarHBondContact N-O 3.49Å; Y5-L20 PolarHBondContact O-N 2.86Å; Y5-R69 HydrophobicContact CD1-CB 4.31Å; Y5-R69 HydrophobicContact CD1-CG 4.43Å; Y5-R69 HydrophobicContact CE1-CB 4.06Å; Y5-R69 HydrophobicContact CE1-CG 3.76Å; Y5-C70 HydrophobicContact CD1-CB 4.11Å; Y5-A321 HydrophobicContact CD1-CB 3.65Å; Y5-A321 HydrophobicContact CE1-CB 3.86Å; Y5-A321 HydrophobicContact CG-CB 4.4Å; Y5-F326 HydrophobicContact CE1-CB 3.65Å; Y5-F326 AromaticContact CE1-CD2 3.86Å; Y5-F326 HydrophobicContact CE1-CD2 3.86Å; Y5-F326 AromaticContact CE1-CG 3.93Å; Y5-F326 HydrophobicContact CE1-CG 3.93Å; Y5-V328 HydrophobicContact CD1-CG2 4Å; Y5-V328 HydrophobicContact CD2-CG2 3.58Å; Y5-V328 HydrophobicContact CE1-CG2 4.29Å; Y5-V328 HydrophobicContact CE2-CG2 3.91Å; Y5-V328 HydrophobicContact CG-CG2 3.64Å
6G97.6Very high85.5Confident0 Ų053.7 Ų53.70%031%0.308CS..EExtended strand (participates in β ladder)trans-111.8146179.800000112.4V18 C70 L71 G72 A317G6-V18 CarbonylContact C-O 3.59Å; G6-V18 WeakPolarHBondContact CA-O 3.35Å; G6-C70 PolarHBondContact N-O 3.4Å; G6-L71 WeakPolarHBondContact O-CA 3.36Å; G6-G72 PolarHBondContact O-N 2.93Å; G6-A317 WeakPolarHBondContact O-CA 3.28Å
7G97.5Very high86.2Confident0 Ų050.5 Ų50.50%029%0.29CS..EExtended strand (participates in β ladder)trans-126.3141.4176.100000111.3A17 V18 G72 A313G7-A17 CarbonylContact O-C 3.58Å; G7-A17 VanDerWaalsContact O-CA 3.26Å; G7-A17 WeakPolarHBondContact O-CA 3.29Å; G7-V18 PolarHBondContact N-O 2.99Å; G7-V18 PolarHBondContact O-N 3.24Å; G7-G72 CarbonylContact C-O 3.5Å; G7-G72 WeakPolarHBondContact CA-O 3.42Å; G7-A313 VanDerWaalsContact CA-O 3.22Å; G7-A313 WeakPolarHBondContact CA-O 3.29Å
8I96.3Very high86.9Confident0 Ų047.7 Ų47.70%027%0.274CS..EExtended strand (participates in β ladder)trans-122126.4168.7-59.9-66.4000110R16 A17 I49 M52 I53 L71 G72 M73 S74 L75I8-R16 CarbonylContact C-O 3.53Å; I8-R16 WeakPolarHBondContact CA-O 3.3Å; I8-A17 HydrophobicContact CD1-CB 3.54Å; I8-I49 HydrophobicContact CD1-CG2 4.32Å; I8-I49 HydrophobicContact CG1-CG2 4.16Å; I8-M52 HydrophobicContact CD1-CE 4.19Å; I8-M52 HydrophobicContact CG2-CE 4.41Å; I8-I53 HydrophobicContact CD1-CD1 3.84Å; I8-I53 HydrophobicContact CD1-CG1 4.08Å; I8-L71 HydrophobicContact CG1-CD1 4.03Å; I8-G72 PolarHBondContact N-O 2.96Å; I8-M73 HydrophobicContact CB-CB 4.17Å; I8-M73 HydrophobicContact CB-CG 3.97Å; I8-M73 HydrophobicContact CG1-CG 3.91Å; I8-S74 PolarHBondContact O-N 3.25Å; I8-L75 HydrophobicContact CG2-CD2 4.03Å
9E92.2Very high87.4Confident61 Ų6145.2 Ų45.229%0.28526%0.259SS..EExtended strand (participates in β ladder)trans-91.8109.9159.7170.1-173.7166.400107.7S15 R16 S311 S312 A313E9-S15 CarbonylContact O-C 3.56Å; E9-S15 WeakPolarHBondContact O-CA 3.43Å; E9-S15 WeakPolarHBondContact O-CB 3.38Å; E9-S15 PolarHBondContact O-OG 3.1Å; E9-R16 HydrophobicContact CB-CB 4.28Å; E9-R16 PolarHBondContact N-O 3.41Å; E9-R16 PolarHBondContact O-N 2.91Å; E9-S311 WeakPolarHBondContact OE2-CB 3.43Å; E9-S311 PolarHBondContact OE2-OG 2.94Å; E9-S312 WeakPolarHBondContact CB-OG 3.32Å; E9-S312 WeakPolarHBondContact CG-OG 3.47Å; E9-A313 HydrophobicContact CB-CB 4.09Å
10G82Confident87.9Confident4 Ų443 Ų434%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-97.5100-178.800000113.1T35 S74G10-T35 WeakPolarHBondContact CA-OG1 3.45Å; G10-S74 PolarHBondContact N-O 3.27Å
11G70.3Confident88.3Confident19 Ų1941.7 Ų41.720%0.19624%0.24CC..  trans-100.2168.718000000114.3H14 S15 T35G11-H14 VanDerWaalsContact CA-O 3.28Å; G11-H14 WeakPolarHBondContact CA-O 3.35Å; G11-H14 PolarHBondContact N-O 3Å; G11-S15 PolarHBondContact N-OG 3.1Å; G11-S15 VanDerWaalsContact N-OG 3.13Å; G11-T35 PolarHBondContact O-N 3.1Å
12G68.9Low89.9Confident41 Ų4133.8 Ų33.842%0.42321%0.209SC..SBendtrans-79.7-18.9176.100000114.8C34G12-C34 PolarHBondContact O-SG 3.49Å
13T69.4Low90.5Very high110 Ų11035.1 Ų35.168%0.67520%0.204SC*.SBendtrans-115-49.3-179.8-48.40000111.7C34T13-C34 PolarHBondContact O-N 3.3Å
14H81.1Confident90.4Very high123 Ų12333.5 Ų33.557%0.56920%0.197SC*.EExtended strand (participates in β ladder)trans-137.3160.5175.6-59.695.7000108.9G11G11-H14 VanDerWaalsContact CA-O 3.28Å; G11-H14 WeakPolarHBondContact CA-O 3.35Å; G11-H14 PolarHBondContact N-O 3Å
15S90.4Very high90.3Very high0 Ų039 Ų390%022%0.219CC..EExtended strand (participates in β ladder)trans-129.9159.6175.4-64.50000110.2E9 G11 V31 G32 P33 T35E9-S15 CarbonylContact O-C 3.56Å; E9-S15 WeakPolarHBondContact O-CA 3.43Å; E9-S15 WeakPolarHBondContact O-CB 3.38Å; E9-S15 PolarHBondContact O-OG 3.1Å; G11-S15 PolarHBondContact N-OG 3.1Å; G11-S15 VanDerWaalsContact N-OG 3.13Å; S15-V31 WeakPolarHBondContact O-CA 3.42Å; S15-G32 PolarHBondContact N-O 3.46Å; S15-G32 PolarHBondContact O-N 2.72Å; S15-P33 VanDerWaalsContact CB-O 3.32Å; S15-P33 WeakPolarHBondContact CB-O 3.28Å; S15-P33 PolarHBondContact N-O 3.05Å; S15-P33 PolarHBondContact OG-O 3.04Å; S15-T35 WeakPolarHBondContact OG-CG2 3.5Å; S15-T35 PolarHBondContact OG-N 2.86Å; S15-T35 PolarHBondContact OG-OG1 2.5Å
16R94.9Very high90.2Very high122 Ų12240.7 Ų40.746%0.4623%0.231SC..EExtended strand (participates in β ladder)trans-130.9140.9179.4-78.5-179162.7-168.5-8.3111I8 E9 A30 V31I8-R16 CarbonylContact C-O 3.53Å; I8-R16 WeakPolarHBondContact CA-O 3.3Å; E9-R16 HydrophobicContact CB-CB 4.28Å; E9-R16 PolarHBondContact N-O 3.41Å; E9-R16 PolarHBondContact O-N 2.91Å; R16-A30 CarbonylContact C-O 3.57Å; R16-A30 WeakPolarHBondContact CA-O 3.38Å; R16-V31 HydrophobicContact CG-CG2 4.25Å
17A97.2Very high90.1Very high0 Ų043.3 Ų43.30%025%0.245CC..EExtended strand (participates in β ladder)trans-113.9139170.800000110.3G7 I8 E29 A30 M52 I53 A56G7-A17 CarbonylContact O-C 3.58Å; G7-A17 VanDerWaalsContact O-CA 3.26Å; G7-A17 WeakPolarHBondContact O-CA 3.29Å; I8-A17 HydrophobicContact CD1-CB 3.54Å; A17-E29 CarbonylContact O-C 3.07Å; A17-E29 VanDerWaalsContact O-CA 3.23Å; A17-E29 WeakPolarHBondContact O-CA 3.36Å; A17-A30 PolarHBondContact N-O 2.94Å; A17-A30 PolarHBondContact O-N 3.42Å; A17-M52 HydrophobicContact CB-CB 3.87Å; A17-I53 HydrophobicContact CB-CD1 4.03Å; A17-A56 HydrophobicContact CB-CB 4.4Å
18V97.6Very high90.1Very high0 Ų043.8 Ų43.80%025%0.249CC..EExtended strand (participates in β ladder)trans-131.9135.7176.51780000109.4G6 G7 L20 V26 E29 A313 L314G6-V18 CarbonylContact C-O 3.59Å; G6-V18 WeakPolarHBondContact CA-O 3.35Å; G7-V18 PolarHBondContact N-O 2.99Å; G7-V18 PolarHBondContact O-N 3.24Å; V18-L20 HydrophobicContact CG1-CD2 3.89Å; V18-L20 HydrophobicContact CG1-CG 4.26Å; V18-V26 HydrophobicContact CG1-CG1 4.08Å; V18-V26 HydrophobicContact CG1-CG2 4.22Å; V18-E29 HydrophobicContact CG1-CG 4.46Å; V18-E29 HydrophobicContact CG2-CG 4.07Å; V18-E29 WeakPolarHBondContact CG2-OE1 3.36Å; V18-A313 HydrophobicContact CB-CB 4.03Å; V18-A313 HydrophobicContact CG2-CB 3.72Å; V18-L314 HydrophobicContact CB-CD1 4.11Å; V18-L314 HydrophobicContact CG1-CD1 3.75Å; V18-L314 HydrophobicContact CG1-CG 4.25Å; V18-L314 HydrophobicContact CG2-CD1 3.83Å
19L98Very high90.1Very high0 Ų047.7 Ų47.70%027%0.268CS..EExtended strand (participates in β ladder)trans-109.1131.8172.3-57.9-175.4000110.1V4 Y5 L27 G28 I53 A56 K57 A60 L62 L68V4-L19 HydrophobicContact CG1-CB 4.03Å; Y5-L19 CarbonylContact O-C 3.49Å; Y5-L19 WeakPolarHBondContact O-CA 3.44Å; L19-L27 HydrophobicContact CB-CB 4.38Å; L19-L27 PolarHBondContact O-N 3.4Å; L19-G28 PolarHBondContact N-O 3.34Å; L19-I53 HydrophobicContact CD2-CD1 4.16Å; L19-A56 HydrophobicContact CD1-CB 3.91Å; L19-A56 HydrophobicContact CG-CB 3.85Å; L19-K57 HydrophobicContact CD1-CB 4.32Å; L19-K57 HydrophobicContact CD1-CG 3.79Å; L19-A60 HydrophobicContact CD1-CB 4.46Å; L19-L62 HydrophobicContact CD1-CD1 4.08Å; L19-L68 HydrophobicContact CD2-CD1 3.92Å; L19-L68 HydrophobicContact CD2-CD2 3.79Å
20L96.6Very high90.4Very high1 Ų145.2 Ų45.21%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-121.1143.5-178.1-59.6178.2000110.8V4 Y5 V18 K25 V26 L314 A317 V328V4-L20 WeakPolarHBondContact CA-O 3.39Å; Y5-L20 PolarHBondContact N-O 3.49Å; Y5-L20 PolarHBondContact O-N 2.86Å; V18-L20 HydrophobicContact CG1-CD2 3.89Å; V18-L20 HydrophobicContact CG1-CG 4.26Å; L20-K25 WeakPolarHBondContact CA-O 3.23Å; L20-V26 HydrophobicContact CD2-CB 4.36Å; L20-V26 HydrophobicContact CD2-CG2 3.7Å; L20-L314 HydrophobicContact CD2-CG 4.42Å; L20-A317 HydrophobicContact CD1-CB 3.7Å; L20-A317 HydrophobicContact CG-CB 4.36Å; L20-V328 HydrophobicContact CB-CG1 4.46Å; L20-V328 HydrophobicContact CD1-CG1 3.95Å
21S95.6Very high91Very high16 Ų1649.1 Ų49.111%0.11228%0.28CS..EExtended strand (participates in β ladder)trans-80.5165.1157.542.80000110.8D23 G24 K25S21-D23 VanDerWaalsContact CB-OD1 3.23Å; S21-D23 WeakPolarHBondContact CB-OD1 3.38Å; S21-D23 PolarHBondContact O-N 3.29Å; S21-D23 PolarHBondContact OG-OD1 3.48Å; S21-G24 PolarHBondContact O-N 3.32Å; S21-K25 PolarHBondContact N-O 3.48Å; S21-K25 WeakPolarHBondContact OG-CB 3.41Å; S21-K25 PolarHBondContact OG-O 3.41Å
22G93.4Very high92Very high30 Ų3048.7 Ų48.731%0.30928%0.276SS..THydrogen-bonded Turntrans-61.8-22.9-179.700000114.9G24 V328 S329G22-G24 PolarHBondContact O-N 2.89Å; G22-V328 WeakPolarHBondContact O-CA 3.47Å; G22-S329 PolarHBondContact O-N 3.27Å; G22-S329 VanDerWaalsContact O-N 3.12Å
23D93.1Very high93Very high113 Ų11350 Ų5060%0.60428%0.277SS*.THydrogen-bonded Turntrans-82.85.4173.365.3-8.7000113.5S21 K25S21-D23 VanDerWaalsContact CB-OD1 3.23Å; S21-D23 WeakPolarHBondContact CB-OD1 3.38Å; S21-D23 PolarHBondContact O-N 3.29Å; S21-D23 PolarHBondContact OG-OD1 3.48Å; D23-K25 PolarHBondContact OD1-N 3.06Å
24G90.9Very high93.7Very high25 Ų2545.6 Ų45.626%0.25825%0.251SS..SBendtrans87.60.2174.900000115.4S21 G22 V26 S329S21-G24 PolarHBondContact O-N 3.32Å; G22-G24 PolarHBondContact O-N 2.89Å; G24-V26 PolarHBondContact O-N 2.91Å; G24-S329 WeakPolarHBondContact CA-O 3.38Å
25K94.5Very high93.9Very high138 Ų13839.9 Ų39.960%0.622%0.224SC*.  trans-71.5130178.6-177.3-176.1177.6-176.70111L20 S21 D23 L27L20-K25 WeakPolarHBondContact CA-O 3.23Å; S21-K25 PolarHBondContact N-O 3.48Å; S21-K25 WeakPolarHBondContact OG-CB 3.41Å; S21-K25 PolarHBondContact OG-O 3.41Å; D23-K25 PolarHBondContact OD1-N 3.06Å; K25-L27 PolarHBondContact O-N 3.44Å
26V96.1Very high93.3Very high52 Ų5241.1 Ų41.132%0.31523%0.231SC..EExtended strand (participates in β ladder)trans-67.4118.3168.9179.20000109.5V18 L20 G24 E29V18-V26 HydrophobicContact CG1-CG1 4.08Å; V18-V26 HydrophobicContact CG1-CG2 4.22Å; L20-V26 HydrophobicContact CD2-CB 4.36Å; L20-V26 HydrophobicContact CD2-CG2 3.7Å; G24-V26 PolarHBondContact O-N 2.91Å; V26-E29 HydrophobicContact CG1-CG 3.73Å
27L96.8Very high92.4Very high55 Ų5536.5 Ų36.529%0.28822%0.215SC..EExtended strand (participates in β ladder)trans-92.4-37.3-179.7-57.9-178.6000111.9V4 L19 K25 A60 L62V4-L27 HydrophobicContact CG1-CD1 4.05Å; V4-L27 HydrophobicContact CG2-CD1 3.95Å; L19-L27 HydrophobicContact CB-CB 4.38Å; L19-L27 PolarHBondContact O-N 3.4Å; K25-L27 PolarHBondContact O-N 3.44Å; L27-A60 HydrophobicContact CB-CB 4.08Å; L27-A60 WeakPolarHBondContact O-CA 3.23Å; L27-A60 VanDerWaalsContact O-CB 3.29Å; L27-A60 WeakPolarHBondContact O-CB 3.45Å; L27-L62 HydrophobicContact CD1-CD1 4.48Å
28G96.3Very high91.3Very high9 Ų944.9 Ų44.99%0.09325%0.246CC..EExtended strand (participates in β ladder)trans-171.3156.4178.300000112.3L19L19-G28 PolarHBondContact N-O 3.34Å
29E97.3Very high90.1Very high83 Ų8350.7 Ų50.739%0.38828%0.276SS..EExtended strand (participates in β ladder)trans-135.1156.3-177.4-55.9-172.7119.400110.7A17 V18 V26 N59A17-E29 CarbonylContact O-C 3.07Å; A17-E29 VanDerWaalsContact O-CA 3.23Å; A17-E29 WeakPolarHBondContact O-CA 3.36Å; V18-E29 HydrophobicContact CG1-CG 4.46Å; V18-E29 HydrophobicContact CG2-CG 4.07Å; V18-E29 WeakPolarHBondContact CG2-OE1 3.36Å; V26-E29 HydrophobicContact CG1-CG 3.73Å; E29-N59 PolarHBondContact O-ND2 2.81Å
30A97.2Very high89.3Confident9 Ų953 Ų537%0.07429%0.289CS..EExtended strand (participates in β ladder)trans-145.8145.117000000111R16 A17 M52 K55 A56R16-A30 CarbonylContact C-O 3.57Å; R16-A30 WeakPolarHBondContact CA-O 3.38Å; A17-A30 PolarHBondContact N-O 2.94Å; A17-A30 PolarHBondContact O-N 3.42Å; A30-M52 WeakPolarHBondContact CB-O 3.35Å; A30-K55 HydrophobicContact CB-CB 3.86Å; A30-A56 HydrophobicContact CB-CB 4Å
31V95Very high88.8Confident85 Ų8554.6 Ų54.652%0.51531%0.305SS..EExtended strand (participates in β ladder)trans-97.5143.6168.3-177.30000108.3S15 R16S15-V31 WeakPolarHBondContact O-CA 3.42Å; R16-V31 HydrophobicContact CG-CG2 4.25Å
32G92.5Very high88.4Confident10 Ų1056.6 Ų56.610%0.10332%0.316CS..EExtended strand (participates in β ladder)trans-140.4-178.2174.600000113.5S15 M52S15-G32 PolarHBondContact N-O 3.46Å; S15-G32 PolarHBondContact O-N 2.72Å; G32-M52 WeakPolarHBondContact CA-SD 3.2Å; G32-M52 PolarHBondContact N-SD 3.24Å
33P89.8Confident88.3Confident69 Ų6960 Ų6045%0.44833%0.328SS..EExtended strand (participates in β ladder)trans-71.3179.3-178.333.5-36.5000111.1S15 T35 A48S15-P33 VanDerWaalsContact CB-O 3.32Å; S15-P33 WeakPolarHBondContact CB-O 3.28Å; S15-P33 PolarHBondContact N-O 3.05Å; S15-P33 PolarHBondContact OG-O 3.04Å; P33-T35 PolarHBondContact O-N 2.8Å; P33-A48 HydrophobicContact CG-CB 3.71Å
34C83Confident88.2Confident18 Ų1861 Ų6112%0.12233%0.326CS..  trans-47.7138.3169.4177.60000111.5G12 T13 N36 I40G12-C34 PolarHBondContact O-SG 3.49Å; T13-C34 PolarHBondContact O-N 3.3Å; C34-N36 PolarHBondContact SG-N 3.04Å; C34-N36 VanDerWaalsContact SG-N 3.37Å; C34-I40 WeakPolarHBondContact O-CD1 3.43Å
35T84.8Confident88.2Confident2 Ų259.9 Ų59.91%0.01232%0.315CS..  trans-125.726.2171.758.70000111.5G10 G11 S15 P33 H37 C45 A48 I49 M52G10-T35 WeakPolarHBondContact CA-OG1 3.45Å; G11-T35 PolarHBondContact O-N 3.1Å; S15-T35 WeakPolarHBondContact OG-CG2 3.5Å; S15-T35 PolarHBondContact OG-N 2.86Å; S15-T35 PolarHBondContact OG-OG1 2.5Å; P33-T35 PolarHBondContact O-N 2.8Å; T35-H37 PolarHBondContact O-N 3.27Å; T35-C45 PolarHBondContact O-SG 3.3Å; T35-A48 HydrophobicContact CG2-CB 3.98Å; T35-I49 HydrophobicContact CG2-CG1 4.07Å; T35-M52 HydrophobicContact CG2-CE 3.65Å
36N78.3Confident88.1Confident26 Ų2653.5 Ų53.514%0.13929%0.287CS..  trans-80100.6169.8-173-21.8000109.1C34 W38 L39 I40C34-N36 PolarHBondContact SG-N 3.04Å; C34-N36 VanDerWaalsContact SG-N 3.37Å; N36-W38 PolarHBondContact O-N 3.37Å; N36-W38 VanDerWaalsContact O-N 3.14Å; N36-W38 WeakPolarHBondContact OD1-CB 3.45Å; N36-W38 PolarHBondContact OD1-N 2.84Å; N36-W38 VanDerWaalsContact OD1-N 3.11Å; N36-L39 HydrophobicContact CB-CB 4.46Å; N36-L39 HydrophobicContact CB-CD1 4.04Å; N36-L39 HydrophobicContact CB-CG 4.15Å; N36-L39 PolarHBondContact O-N 2.84Å; N36-I40 PolarHBondContact O-N 3.35Å
37H77.4Confident88Confident26 Ų2654.4 Ų54.412%0.1229%0.288CS..Hα-helixtrans-59.3-24.9-176.869.3-82.1000113.6T35 L39 G41 C45T35-H37 PolarHBondContact O-N 3.27Å; H37-L39 VanDerWaalsContact C-N 3.25Å; H37-L39 PolarHBondContact O-N 2.77Å; H37-G41 VanDerWaalsContact O-CA 3.23Å; H37-G41 WeakPolarHBondContact O-CA 3.42Å; H37-G41 PolarHBondContact O-N 2.96Å; H37-C45 HydrophobicContact CB-CB 4.27Å
38W72.6Confident87.9Confident176 Ų17652.1 Ų52.167%0.66728%0.277SS*.Hα-helixtrans-66.6-27.3173.7-59.9109.8000113.1N36N36-W38 PolarHBondContact O-N 3.37Å; N36-W38 VanDerWaalsContact O-N 3.14Å; N36-W38 WeakPolarHBondContact OD1-CB 3.45Å; N36-W38 PolarHBondContact OD1-N 2.84Å; N36-W38 VanDerWaalsContact OD1-N 3.11Å
39L72.7Confident87.9Confident121 Ų12151.8 Ų51.863%0.63427%0.273SS*.Hα-helixtrans-92.8-39-177.9-61-179.3000112.5N36 H37N36-L39 HydrophobicContact CB-CB 4.46Å; N36-L39 HydrophobicContact CB-CD1 4.04Å; N36-L39 HydrophobicContact CB-CG 4.15Å; N36-L39 PolarHBondContact O-N 2.84Å; H37-L39 VanDerWaalsContact C-N 3.25Å; H37-L39 PolarHBondContact O-N 2.77Å
40I81.6Confident87.8Confident50 Ų5048.9 Ų48.926%0.25626%0.26SS..Hα-helixtrans-113.4-6.8-169.770.6179.5000114C34 N36 K44 C45C34-I40 WeakPolarHBondContact O-CD1 3.43Å; N36-I40 PolarHBondContact O-N 3.35Å; I40-K44 HydrophobicContact CB-CB 4.26Å; I40-K44 HydrophobicContact CB-CD 4.42Å; I40-K44 HydrophobicContact CD1-CB 4.06Å; I40-K44 HydrophobicContact CG1-CB 4.09Å; I40-K44 WeakPolarHBondContact O-CD 3.48Å; I40-C45 HydrophobicContact CD1-CB 4.17Å; I40-C45 HydrophobicContact CG1-CB 4.37Å
41G85.6Confident87.8Confident34 Ų3453.1 Ų53.135%0.35128%0.278SS..  trans81.7163.3-171.400000113.1H37 C45H37-G41 VanDerWaalsContact O-CA 3.23Å; H37-G41 WeakPolarHBondContact O-CA 3.42Å; H37-G41 PolarHBondContact O-N 2.96Å; G41-C45 WeakPolarHBondContact O-CB 3.3Å; G41-C45 PolarHBondContact O-N 2.7Å
42V87.4Confident87.9Confident57 Ų5749.1 Ų49.135%0.34525%0.254SS..Hα-helixtrans-64.3-46.5-176.9169.50000111.8K44 C45 L46 L87V42-K44 PolarHBondContact O-N 2.78Å; V42-C45 VanDerWaalsContact O-CB 3.3Å; V42-C45 WeakPolarHBondContact O-CB 3.21Å; V42-C45 PolarHBondContact O-N 2.97Å; V42-C45 VanDerWaalsContact O-N 3.1Å; V42-L46 HydrophobicContact CG1-CD1 3.77Å; V42-L46 HydrophobicContact CG1-CG 4.11Å; V42-L46 WeakPolarHBondContact O-CG 3.46Å; V42-L46 PolarHBondContact O-N 3.34Å; V42-L87 HydrophobicContact CB-CD2 4.29Å; V42-L87 HydrophobicContact CG1-CD2 3.46Å; V42-L87 VanDerWaalsContact CG1-CD2 3.46Å; V42-L87 HydrophobicContact CG2-CD2 4.05Å
43D90.6Very high88.1Confident102 Ų10248.6 Ų48.655%0.54525%0.249SC..Hα-helixtrans-59.9-48.4-173-62.6-36.2000113C45 L46 E47D43-C45 VanDerWaalsContact C-N 3.29Å; D43-C45 PolarHBondContact O-N 3.46Å; D43-L46 PolarHBondContact O-N 3.04Å; D43-E47 WeakPolarHBondContact O-CG 3.26Å; D43-E47 PolarHBondContact O-N 3.25Å
44K91.8Very high88.5Confident134 Ų13448.1 Ų48.158%0.58324%0.241SC*.Hα-helixtrans-64.6-34.9177.5-67-173.2-176.6173.40112.1I40 V42 A48I40-K44 HydrophobicContact CB-CB 4.26Å; I40-K44 HydrophobicContact CB-CD 4.42Å; I40-K44 HydrophobicContact CD1-CB 4.06Å; I40-K44 HydrophobicContact CG1-CB 4.09Å; I40-K44 WeakPolarHBondContact O-CD 3.48Å; V42-K44 PolarHBondContact O-N 2.78Å; K44-A48 VanDerWaalsContact O-CB 3.32Å; K44-A48 WeakPolarHBondContact O-CB 3.04Å; K44-A48 PolarHBondContact O-N 3.37Å
45C90.3Very high89.1Confident2 Ų251.9 Ų51.91%0.01426%0.255CS..Hα-helixtrans-63-48.1176.3-178.10000111T35 H37 I40 G41 V42 D43 A48 I49T35-C45 PolarHBondContact O-SG 3.3Å; H37-C45 HydrophobicContact CB-CB 4.27Å; I40-C45 HydrophobicContact CD1-CB 4.17Å; I40-C45 HydrophobicContact CG1-CB 4.37Å; G41-C45 WeakPolarHBondContact O-CB 3.3Å; G41-C45 PolarHBondContact O-N 2.7Å; V42-C45 VanDerWaalsContact O-CB 3.3Å; V42-C45 WeakPolarHBondContact O-CB 3.21Å; V42-C45 PolarHBondContact O-N 2.97Å; V42-C45 VanDerWaalsContact O-N 3.1Å; D43-C45 VanDerWaalsContact C-N 3.29Å; D43-C45 PolarHBondContact O-N 3.46Å; C45-A48 PolarHBondContact O-N 2.68Å; C45-I49 WeakPolarHBondContact O-CG1 3.42Å; C45-I49 PolarHBondContact O-N 3.44Å
46L92.9Very high89.7Confident3 Ų351.8 Ų51.82%0.01625%0.254CS..Hα-helixtrans-66.3-40.2-179.9-60.7178.7000112V42 D43 I49 N50 L87 V90 M91 F95V42-L46 HydrophobicContact CG1-CD1 3.77Å; V42-L46 HydrophobicContact CG1-CG 4.11Å; V42-L46 WeakPolarHBondContact O-CG 3.46Å; V42-L46 PolarHBondContact O-N 3.34Å; D43-L46 PolarHBondContact O-N 3.04Å; L46-I49 PolarHBondContact O-N 3.46Å; L46-N50 WeakPolarHBondContact O-CB 3.45Å; L46-N50 PolarHBondContact O-N 2.9Å; L46-L87 HydrophobicContact CD2-CD2 3.97Å; L46-L87 HydrophobicContact CG-CD2 4.42Å; L46-V90 HydrophobicContact CD1-CB 3.86Å; L46-V90 HydrophobicContact CD1-CG1 3.42Å; L46-V90 VanDerWaalsContact CD1-CG1 3.42Å; L46-M91 HydrophobicContact CB-CE 4.43Å; L46-M91 HydrophobicContact CB-SD 4.2Å; L46-M91 HydrophobicContact CD2-CB 4.32Å; L46-M91 HydrophobicContact CD2-CE 3.35Å; L46-M91 HydrophobicContact CD2-SD 3.84Å; L46-M91 HydrophobicContact CG-CE 4.47Å; L46-F95 HydrophobicContact CB-CE2 4.2Å
47E95.1Very high90.6Very high72 Ų7250.6 Ų50.634%0.33625%0.248SC..Hα-helixtrans-58.2-49.2172.9-76165.6-160.600111.8D43 I49 N50 E51 R94D43-E47 WeakPolarHBondContact O-CG 3.26Å; D43-E47 PolarHBondContact O-N 3.25Å; E47-I49 VanDerWaalsContact C-N 3.31Å; E47-I49 PolarHBondContact O-N 3.09Å; E47-N50 PolarHBondContact O-N 2.86Å; E47-E51 WeakPolarHBondContact O-CG 3.49Å; E47-E51 PolarHBondContact O-N 3.34Å; E47-R94 VanDerWaalsContact CD-NH2 3.33Å; E47-R94 VanDerWaalsContact CG-NH1 3.32Å; E47-R94 VanDerWaalsContact CG-NH2 3.29Å; E47-R94 IonicContact OE1-CZ 3.21Å; E47-R94 IonicContact OE1-NH1 2.91Å; E47-R94 PolarHBondContact OE1-NH1 3.44Å; E47-R94 IonicContact OE1-NH2 2.64Å; E47-R94 PolarHBondContact OE1-NH2 3.24Å
48A94.4Very high91.6Very high6 Ų654.4 Ų54.45%0.0527%0.268CS..Hα-helixtrans-59.8-42.2178.800000111.9P33 T35 K44 C45 M52P33-A48 HydrophobicContact CG-CB 3.71Å; T35-A48 HydrophobicContact CG2-CB 3.98Å; K44-A48 VanDerWaalsContact O-CB 3.32Å; K44-A48 WeakPolarHBondContact O-CB 3.04Å; K44-A48 PolarHBondContact O-N 3.37Å; C45-A48 PolarHBondContact O-N 2.68Å; A48-M52 WeakPolarHBondContact O-CB 3.42Å; A48-M52 VanDerWaalsContact O-CG 3.28Å; A48-M52 WeakPolarHBondContact O-CG 3.26Å; A48-M52 PolarHBondContact O-N 3.39Å
49I95.1Very high92.7Very high2 Ų251.2 Ų51.21%0.0126%0.264CS..Hα-helixtrans-62.8-49176.6-69.2164.2000110.9I8 T35 C45 L46 E47 E51 M52 I53 L71 M73 M91I8-I49 HydrophobicContact CD1-CG2 4.32Å; I8-I49 HydrophobicContact CG1-CG2 4.16Å; T35-I49 HydrophobicContact CG2-CG1 4.07Å; C45-I49 WeakPolarHBondContact O-CG1 3.42Å; C45-I49 PolarHBondContact O-N 3.44Å; L46-I49 PolarHBondContact O-N 3.46Å; E47-I49 VanDerWaalsContact C-N 3.31Å; E47-I49 PolarHBondContact O-N 3.09Å; I49-E51 PolarHBondContact O-N 3.13Å; I49-M52 HydrophobicContact CG1-CE 4.27Å; I49-M52 PolarHBondContact O-N 3.27Å; I49-I53 WeakPolarHBondContact O-CG1 3.22Å; I49-I53 PolarHBondContact O-N 3.35Å; I49-L71 HydrophobicContact CG2-CD2 4.14Å; I49-M73 HydrophobicContact CD1-SD 4.01Å; I49-M73 HydrophobicContact CG2-SD 4.03Å; I49-M91 HydrophobicContact CB-CE 3.93Å; I49-M91 HydrophobicContact CD1-CE 3.94Å; I49-M91 HydrophobicContact CG2-CE 3.59Å
50N96.4Very high93.8Very high23 Ų2346.7 Ų46.712%0.12324%0.244CC..Hα-helixtrans-58.2-48.2178.4177.471.6000111.5L46 E47 M52 I53 H54 F95 L98L46-N50 WeakPolarHBondContact O-CB 3.45Å; L46-N50 PolarHBondContact O-N 2.9Å; E47-N50 PolarHBondContact O-N 2.86Å; N50-M52 PolarHBondContact O-N 2.96Å; N50-I53 PolarHBondContact O-N 2.64Å; N50-H54 PolarHBondContact O-CD2 2.89Å; N50-H54 PolarHBondContact O-N 3.03Å; N50-H54 PolarHBondContact OD1-CD2 2.94Å; N50-F95 HydrophobicContact CB-CD1 4.04Å; N50-F95 HydrophobicContact CB-CD2 3.91Å; N50-F95 HydrophobicContact CB-CE1 3.91Å; N50-F95 HydrophobicContact CB-CE2 3.76Å; N50-F95 HydrophobicContact CB-CG 4.04Å; N50-F95 HydrophobicContact CB-CZ 3.75Å; N50-F95 VanDerWaalsContact CG-CD1 3.42Å; N50-F95 WeakPolarHBondContact OD1-CD1 3.48Å; N50-L98 HydrophobicContact CB-CD2 4.39Å
51E96.2Very high94.5Very high97 Ų9747.7 Ų47.745%0.45327%0.266SS..Hα-helixtrans-61.2-42.6177.9-76.3-171.8-169.800113E47 I49 H54 K55E47-E51 WeakPolarHBondContact O-CG 3.49Å; E47-E51 PolarHBondContact O-N 3.34Å; I49-E51 PolarHBondContact O-N 3.13Å; E51-H54 PolarHBondContact O-N 3.01Å; E51-K55 WeakPolarHBondContact O-CB 3.21Å; E51-K55 VanDerWaalsContact O-CG 3.3Å; E51-K55 WeakPolarHBondContact O-CG 3.42Å; E51-K55 PolarHBondContact O-N 3.01Å; E51-K55 IonicContact OE2-NZ 3.41Å; E51-K55 PolarHBondContact OE2-NZ 3.02Å
52M96.9Very high95Very high1 Ų148.4 Ų48.41%0.00526%0.262CS..Hα-helixtrans-62.2-44.3178.3-78-171.5-69.400111.4I8 A17 A30 G32 T35 A48 I49 N50 K55 A56I8-M52 HydrophobicContact CD1-CE 4.19Å; I8-M52 HydrophobicContact CG2-CE 4.41Å; A17-M52 HydrophobicContact CB-CB 3.87Å; A30-M52 WeakPolarHBondContact CB-O 3.35Å; G32-M52 WeakPolarHBondContact CA-SD 3.2Å; G32-M52 PolarHBondContact N-SD 3.24Å; T35-M52 HydrophobicContact CG2-CE 3.65Å; A48-M52 WeakPolarHBondContact O-CB 3.42Å; A48-M52 VanDerWaalsContact O-CG 3.28Å; A48-M52 WeakPolarHBondContact O-CG 3.26Å; A48-M52 PolarHBondContact O-N 3.39Å; I49-M52 HydrophobicContact CG1-CE 4.27Å; I49-M52 PolarHBondContact O-N 3.27Å; N50-M52 PolarHBondContact O-N 2.96Å; M52-K55 PolarHBondContact O-N 3.36Å; M52-A56 WeakPolarHBondContact O-CB 3.37Å; M52-A56 PolarHBondContact O-N 3.46Å
53I97.6Very high95.3Very high0 Ų049.2 Ų49.20%027%0.265CS..Hα-helixtrans-67.2-40.9178.3-67-64.8000111.2I8 A17 L19 I49 N50 K55 A56 K57 L68 L71 L98I8-I53 HydrophobicContact CD1-CD1 3.84Å; I8-I53 HydrophobicContact CD1-CG1 4.08Å; A17-I53 HydrophobicContact CB-CD1 4.03Å; L19-I53 HydrophobicContact CD2-CD1 4.16Å; I49-I53 WeakPolarHBondContact O-CG1 3.22Å; I49-I53 PolarHBondContact O-N 3.35Å; N50-I53 PolarHBondContact O-N 2.64Å; I53-K55 PolarHBondContact O-N 2.91Å; I53-A56 PolarHBondContact O-N 3.45Å; I53-K57 HydrophobicContact CG2-CD 4.47Å; I53-K57 HydrophobicContact CG2-CG 4.5Å; I53-K57 WeakPolarHBondContact O-CG 3.44Å; I53-K57 PolarHBondContact O-N 3.2Å; I53-L68 HydrophobicContact CD1-CD1 4.15Å; I53-L68 HydrophobicContact CG2-CD1 3.74Å; I53-L68 HydrophobicContact CG2-CG 4.34Å; I53-L71 HydrophobicContact CD1-CD1 3.54Å; I53-L71 HydrophobicContact CG1-CD1 4.03Å; I53-L71 HydrophobicContact CG1-CD2 4.31Å; I53-L98 HydrophobicContact CB-CD1 3.72Å; I53-L98 HydrophobicContact CG1-CD1 4.36Å; I53-L98 HydrophobicContact CG2-CD1 3.46Å; I53-L98 VanDerWaalsContact CG2-CD1 3.46Å
54H96.9Very high95.3Very high59 Ų5946.4 Ų46.427%0.27325%0.252SS..Hα-helixtrans-59-46.2173.3-91.5-74.3000112.1N50 E51 A56 K57 I58 P64N50-H54 PolarHBondContact O-CD2 2.89Å; N50-H54 PolarHBondContact O-N 3.03Å; N50-H54 PolarHBondContact OD1-CD2 2.94Å; E51-H54 PolarHBondContact O-N 3.01Å; H54-A56 PolarHBondContact O-N 2.95Å; H54-K57 PolarHBondContact O-N 3.12Å; H54-I58 WeakPolarHBondContact O-CG1 3.32Å; H54-I58 PolarHBondContact O-N 3.49Å; H54-P64 PolarHBondContact CE1-O 3.39Å
55K97.3Very high95.3Very high96 Ų9645.2 Ų45.242%0.41725%0.252SS..Hα-helixtrans-61.3-43.1175.6-73.7167.4-175.7160.40111.6A30 E51 M52 I53 K57 I58 N59A30-K55 HydrophobicContact CB-CB 3.86Å; E51-K55 WeakPolarHBondContact O-CB 3.21Å; E51-K55 VanDerWaalsContact O-CG 3.3Å; E51-K55 WeakPolarHBondContact O-CG 3.42Å; E51-K55 PolarHBondContact O-N 3.01Å; E51-K55 IonicContact OE2-NZ 3.41Å; E51-K55 PolarHBondContact OE2-NZ 3.02Å; M52-K55 PolarHBondContact O-N 3.36Å; I53-K55 PolarHBondContact O-N 2.91Å; K55-K57 PolarHBondContact O-N 3.46Å; K55-I58 PolarHBondContact O-N 3.25Å; K55-N59 WeakPolarHBondContact O-CB 3.47Å; K55-N59 VanDerWaalsContact O-CG 3.24Å; K55-N59 PolarHBondContact O-N 2.83Å
56A97.6Very high95.4Very high0 Ų047.5 Ų47.50%027%0.266CS..Hα-helixtrans-64.5-38.5178.100000112.1A17 L19 A30 M52 I53 H54 N59 A60A17-A56 HydrophobicContact CB-CB 4.4Å; L19-A56 HydrophobicContact CD1-CB 3.91Å; L19-A56 HydrophobicContact CG-CB 3.85Å; A30-A56 HydrophobicContact CB-CB 4Å; M52-A56 WeakPolarHBondContact O-CB 3.37Å; M52-A56 PolarHBondContact O-N 3.46Å; I53-A56 PolarHBondContact O-N 3.45Å; H54-A56 PolarHBondContact O-N 2.95Å; A56-N59 PolarHBondContact O-N 3.01Å; A56-A60 WeakPolarHBondContact O-CB 3.41Å; A56-A60 PolarHBondContact O-N 2.97Å
57K97.3Very high95.6Very high2 Ų249.6 Ų49.61%0.00928%0.279CS..Hα-helixtrans-61.7-45.5173.7-73.2-179.9-173.9179.90111.4L19 I53 H54 K55 A60 G61 L62 P64 T66 L98L19-K57 HydrophobicContact CD1-CB 4.32Å; L19-K57 HydrophobicContact CD1-CG 3.79Å; I53-K57 HydrophobicContact CG2-CD 4.47Å; I53-K57 HydrophobicContact CG2-CG 4.5Å; I53-K57 WeakPolarHBondContact O-CG 3.44Å; I53-K57 PolarHBondContact O-N 3.2Å; H54-K57 PolarHBondContact O-N 3.12Å; K55-K57 PolarHBondContact O-N 3.46Å; K57-A60 PolarHBondContact O-N 2.85Å; K57-G61 PolarHBondContact O-N 2.79Å; K57-L62 HydrophobicContact CB-CB 4.34Å; K57-L62 PolarHBondContact O-N 3.41Å; K57-P64 WeakPolarHBondContact CD-O 3.4Å; K57-P64 PolarHBondContact NZ-O 3.02Å; K57-T66 WeakPolarHBondContact CE-O 3.06Å; K57-T66 PolarHBondContact NZ-O 3.31Å; K57-L98 PolarHBondContact NZ-O 2.87Å
58I96.8Very high95.7Very high105 Ų10546.3 Ų46.354%0.53826%0.264SS..Hα-helixtrans-61.2-47.6176.7-67.5166.5000110.7H54 K55 A60 G61 P64H54-I58 WeakPolarHBondContact O-CG1 3.32Å; H54-I58 PolarHBondContact O-N 3.49Å; K55-I58 PolarHBondContact O-N 3.25Å; I58-A60 PolarHBondContact O-N 2.82Å; I58-G61 PolarHBondContact O-N 3.46Å; I58-P64 HydrophobicContact CG1-CG 3.95Å
59N96.6Very high95.9Very high110 Ų11049.8 Ų49.859%0.58828%0.276SS*.Hα-helixtrans-62-29.8178.6-70.2-12.4000112.6E29 K55 A56 G61E29-N59 PolarHBondContact O-ND2 2.81Å; K55-N59 WeakPolarHBondContact O-CB 3.47Å; K55-N59 VanDerWaalsContact O-CG 3.24Å; K55-N59 PolarHBondContact O-N 2.83Å; A56-N59 PolarHBondContact O-N 3.01Å; N59-G61 VanDerWaalsContact C-N 3.3Å
60A96.1Very high96Very high25 Ų2549.7 Ų49.721%0.20728%0.276CS..THydrogen-bonded Turntrans-80.3-5.2174.700000114.1L19 L27 A56 K57 I58 L62L19-A60 HydrophobicContact CD1-CB 4.46Å; L27-A60 HydrophobicContact CB-CB 4.08Å; L27-A60 WeakPolarHBondContact O-CA 3.23Å; L27-A60 VanDerWaalsContact O-CB 3.29Å; L27-A60 WeakPolarHBondContact O-CB 3.45Å; A56-A60 WeakPolarHBondContact O-CB 3.41Å; A56-A60 PolarHBondContact O-N 2.97Å; K57-A60 PolarHBondContact O-N 2.85Å; I58-A60 PolarHBondContact O-N 2.82Å; A60-L62 HydrophobicContact CB-CD1 3.77Å; A60-L62 HydrophobicContact CB-CG 3.75Å; A60-L62 PolarHBondContact O-N 3.49Å
61G96.3Very high96.1Very high71 Ų7148.6 Ų48.673%0.73227%0.27SS*.THydrogen-bonded Turntrans67.422.6-172.600000113.8K57 I58 N59K57-G61 PolarHBondContact O-N 2.79Å; I58-G61 PolarHBondContact O-N 3.46Å; N59-G61 VanDerWaalsContact C-N 3.3Å
62L95.4Very high96.1Very high49 Ų4944 Ų4426%0.25725%0.248SC..  trans-89.5154.4178.1-61.2172.8000110.7V4 L19 L27 K57 A60 P64V4-L62 HydrophobicContact CG1-CD1 4.1Å; V4-L62 HydrophobicContact CG2-CD1 4.01Å; L19-L62 HydrophobicContact CD1-CD1 4.08Å; L27-L62 HydrophobicContact CD1-CD1 4.48Å; K57-L62 HydrophobicContact CB-CB 4.34Å; K57-L62 PolarHBondContact O-N 3.41Å; A60-L62 HydrophobicContact CB-CD1 3.77Å; A60-L62 HydrophobicContact CB-CG 3.75Å; A60-L62 PolarHBondContact O-N 3.49Å; L62-P64 VanDerWaalsContact O-CD 3.28Å; L62-P64 WeakPolarHBondContact O-CD 3.46Å
63D94.1Very high96Very high75 Ų7544.1 Ų44.140%0.40125%0.249SC..  trans-63.1119.1169.8171.416.4000110.1N65 T66D63-N65 PolarHBondContact O-N 3.19Å; D63-N65 VanDerWaalsContact O-N 3.1Å; D63-N65 PolarHBondContact OD1-N 2.96Å; D63-N65 PolarHBondContact OD1-ND2 2.88Å; D63-T66 PolarHBondContact O-N 3.01Å; D63-T66 VanDerWaalsContact O-N 3.1Å; D63-T66 PolarHBondContact OD2-OG1 3.22Å; D63-T66 VanDerWaalsContact OD2-OG1 3.1Å
64P90.4Very high95.7Very high42 Ų4244.1 Ų44.127%0.27325%0.249SC..THydrogen-bonded Turntrans-57.9-25.6-179.5-2535.2000114.2H54 K57 I58 L62H54-P64 PolarHBondContact CE1-O 3.39Å; K57-P64 WeakPolarHBondContact CD-O 3.4Å; K57-P64 PolarHBondContact NZ-O 3.02Å; I58-P64 HydrophobicContact CG1-CG 3.95Å; L62-P64 VanDerWaalsContact O-CD 3.28Å; L62-P64 WeakPolarHBondContact O-CD 3.46Å
65N90.8Very high95Very high110 Ų11041.6 Ų41.659%0.58824%0.238SC*.THydrogen-bonded Turntrans-88.3-12.5-177.9-59.5-55.3000113.7D63 P67D63-N65 PolarHBondContact O-N 3.19Å; D63-N65 VanDerWaalsContact O-N 3.1Å; D63-N65 PolarHBondContact OD1-N 2.96Å; D63-N65 PolarHBondContact OD1-ND2 2.88Å; N65-P67 WeakPolarHBondContact O-CD 3.48Å
66T93.8Very high93.9Very high49 Ų4939 Ų3930%0.30123%0.231SC..SBendtrans-72.1120175.7-68.10000108.7K57 D63K57-T66 WeakPolarHBondContact CE-O 3.06Å; K57-T66 PolarHBondContact NZ-O 3.31Å; D63-T66 PolarHBondContact O-N 3.01Å; D63-T66 VanDerWaalsContact O-N 3.1Å; D63-T66 PolarHBondContact OD2-OG1 3.22Å; D63-T66 VanDerWaalsContact OD2-OG1 3.1Å
67P96.6Very high92.4Very high47 Ų4740.5 Ų40.531%0.30525%0.247SC..PPolyproline II helixtrans-65.8146.618027.6-34.1000110.9N65 H97 E100N65-P67 WeakPolarHBondContact O-CD 3.48Å; P67-H97 VanDerWaalsContact CA-O 3.29Å; P67-H97 WeakPolarHBondContact CA-O 3.47Å; P67-E100 HydrophobicContact CB-CG 4.26Å; P67-E100 HydrophobicContact CG-CG 4.31Å
68L97.9Very high90.9Very high3 Ų340.9 Ų40.92%0.01625%0.251CS..BIsolated β-bridgetrans-66.6149.9167.7-58179000109.7V4 L19 I53 C70 L71 L98 S99 E100V4-L68 HydrophobicContact CB-CD2 4.14Å; V4-L68 HydrophobicContact CG1-CD2 3.75Å; L19-L68 HydrophobicContact CD2-CD1 3.92Å; L19-L68 HydrophobicContact CD2-CD2 3.79Å; I53-L68 HydrophobicContact CD1-CD1 4.15Å; I53-L68 HydrophobicContact CG2-CD1 3.74Å; I53-L68 HydrophobicContact CG2-CG 4.34Å; L68-C70 VanDerWaalsContact C-N 3.31Å; L68-L71 HydrophobicContact CD1-CB 4.44Å; L68-L71 HydrophobicContact CD1-CD1 4.15Å; L68-L98 PolarHBondContact N-O 3.46Å; L68-L98 VanDerWaalsContact N-O 3.09Å; L68-S99 WeakPolarHBondContact O-CA 3.34Å; L68-S99 PolarHBondContact O-OG 3.4Å; L68-E100 PolarHBondContact O-N 2.92Å
69R97.7Very high89.7Confident79 Ų7941.6 Ų41.630%0.29825%0.253SS..SBendtrans-65.6-39171.6-177.555.3174.4-172.70.9110.9V4 Y5 E100 H101 F326V4-R69 WeakPolarHBondContact O-CB 3.32Å; V4-R69 PolarHBondContact O-N 2.99Å; Y5-R69 HydrophobicContact CD1-CB 4.31Å; Y5-R69 HydrophobicContact CD1-CG 4.43Å; Y5-R69 HydrophobicContact CE1-CB 4.06Å; Y5-R69 HydrophobicContact CE1-CG 3.76Å; R69-E100 WeakPolarHBondContact CD-OE2 3.33Å; R69-E100 IonicContact CZ-OE2 3.55Å; R69-E100 IonicContact NE-OE2 3.75Å; R69-E100 IonicContact NH1-OE2 2.7Å; R69-E100 PolarHBondContact NH1-OE2 3.1Å; R69-H101 PolarHBondContact O-CD2 3.41Å; R69-F326 HydrophobicContact CG-CD2 4.09Å; R69-F326 HydrophobicContact CG-CE2 3.94Å; R69-F326 HydrophobicContact CG-CZ 4.36Å; R69-F326 VanDerWaalsContact CZ-CZ 3.44Å
70C97.4Very high88.8Confident1 Ų142 Ų421%0.00725%0.251CS..EExtended strand (participates in β ladder)trans-153148.4173.7-172.30000110Y5 G6 L68 S99 H101 G320Y5-C70 HydrophobicContact CD1-CB 4.11Å; G6-C70 PolarHBondContact N-O 3.4Å; L68-C70 VanDerWaalsContact C-N 3.31Å; C70-S99 VanDerWaalsContact C-OG 3.29Å; C70-S99 WeakPolarHBondContact CA-OG 3.46Å; C70-H101 CarbonylContact C-O 3.57Å; C70-H101 WeakPolarHBondContact CA-O 3.35Å; C70-H101 HydrophobicContact CB-CB 4.2Å; C70-G320 PolarHBondContact SG-O 2.92Å
71L97.8Very high88.2Confident0 Ų047.8 Ų47.80%027%0.271CS..EExtended strand (participates in β ladder)trans-121.6106.7170.5-179.161.3000109.1G6 I8 I49 I53 L68 M73 L98 S99 H101 Y102 F103G6-L71 WeakPolarHBondContact O-CA 3.36Å; I8-L71 HydrophobicContact CG1-CD1 4.03Å; I49-L71 HydrophobicContact CG2-CD2 4.14Å; I53-L71 HydrophobicContact CD1-CD1 3.54Å; I53-L71 HydrophobicContact CG1-CD1 4.03Å; I53-L71 HydrophobicContact CG1-CD2 4.31Å; L68-L71 HydrophobicContact CD1-CB 4.44Å; L68-L71 HydrophobicContact CD1-CD1 4.15Å; L71-M73 HydrophobicContact CD1-CG 4.5Å; L71-M73 HydrophobicContact CD2-CG 4.37Å; L71-M73 HydrophobicContact CD2-SD 3.99Å; L71-M73 HydrophobicContact CG-CG 3.94Å; L71-M73 HydrophobicContact CG-SD 4.2Å; L71-L98 HydrophobicContact CD2-CD2 4.17Å; L71-L98 HydrophobicContact CD2-CG 4.44Å; L71-S99 PolarHBondContact N-OG 2.91Å; L71-S99 VanDerWaalsContact N-OG 3.13Å; L71-H101 PolarHBondContact N-O 2.87Å; L71-Y102 HydrophobicContact CB-CD1 4.14Å; L71-Y102 HydrophobicContact CB-CE1 4.39Å; L71-Y102 HydrophobicContact CD2-CD1 4.11Å; L71-Y102 HydrophobicContact CD2-CE1 3.95Å; L71-Y102 WeakPolarHBondContact O-CA 3.48Å; L71-F103 PolarHBondContact O-N 3.36Å
72G96.9Very high87.5Confident0 Ų049.6 Ų49.60%026%0.264CS..EExtended strand (participates in β ladder)trans-95.4129.6173.400000111.4G6 G7 I8 F103 G316G6-G72 PolarHBondContact O-N 2.93Å; G7-G72 CarbonylContact C-O 3.5Å; G7-G72 WeakPolarHBondContact CA-O 3.42Å; I8-G72 PolarHBondContact N-O 2.96Å; G72-F103 CarbonylContact C-O 3.55Å; G72-F103 WeakPolarHBondContact CA-O 3.28Å; G72-G316 WeakPolarHBondContact CA-O 3.45Å
73M94.3Very high86.9Confident3 Ų348.7 Ų48.72%0.01526%0.264CS..EExtended strand (participates in β ladder)trans-125.1113.6-171.5-57.8-179.9-79.700110.1I8 I49 L71 L75 M91 Y102 F103 I104 T105I8-M73 HydrophobicContact CB-CB 4.17Å; I8-M73 HydrophobicContact CB-CG 3.97Å; I8-M73 HydrophobicContact CG1-CG 3.91Å; I49-M73 HydrophobicContact CD1-SD 4.01Å; I49-M73 HydrophobicContact CG2-SD 4.03Å; L71-M73 HydrophobicContact CD1-CG 4.5Å; L71-M73 HydrophobicContact CD2-CG 4.37Å; L71-M73 HydrophobicContact CD2-SD 3.99Å; L71-M73 HydrophobicContact CG-CG 3.94Å; L71-M73 HydrophobicContact CG-SD 4.2Å; M73-L75 HydrophobicContact CB-CD1 4.18Å; M73-L75 HydrophobicContact CB-CD2 4.14Å; M73-L75 HydrophobicContact CB-CG 3.91Å; M73-L75 PolarHBondContact O-N 3.39Å; M73-M91 HydrophobicContact CE-CE 4.44Å; M73-M91 HydrophobicContact SD-CE 4.1Å; M73-Y102 HydrophobicContact CE-CD1 4.02Å; M73-F103 PolarHBondContact N-O 3Å; M73-I104 HydrophobicContact CB-CG1 4.34Å; M73-I104 HydrophobicContact CE-CD1 3.8Å; M73-I104 HydrophobicContact CE-CG1 3.48Å; M73-I104 VanDerWaalsContact CE-CG1 3.48Å; M73-I104 WeakPolarHBondContact O-CA 3.3Å; M73-T105 PolarHBondContact O-N 3.45Å
74S91.3Very high86.6Confident0 Ų046.3 Ų46.30%025%0.251CS..EExtended strand (participates in β ladder)trans-93.590.6176.1-58.40000108.7I8 G10 G110 G316I8-S74 PolarHBondContact O-N 3.25Å; G10-S74 PolarHBondContact N-O 3.27Å; S74-G110 VanDerWaalsContact OG-CA 3.23Å; S74-G110 WeakPolarHBondContact OG-CA 3.43Å; S74-G316 WeakPolarHBondContact OG-CA 3.34Å
75L83.6Confident86.5Confident7 Ų748 Ų484%0.03726%0.258CS..EExtended strand (participates in β ladder)trans-109.8140.3-171.1-54.6-177.9000110.9I8 M73 G77 G78 I104 T105 T106 D107I8-L75 HydrophobicContact CG2-CD2 4.03Å; M73-L75 HydrophobicContact CB-CD1 4.18Å; M73-L75 HydrophobicContact CB-CD2 4.14Å; M73-L75 HydrophobicContact CB-CG 3.91Å; M73-L75 PolarHBondContact O-N 3.39Å; L75-G77 PolarHBondContact O-N 3.42Å; L75-G78 PolarHBondContact O-N 2.95Å; L75-G78 VanDerWaalsContact O-N 3.13Å; L75-I104 HydrophobicContact CB-CG2 4.5Å; L75-I104 HydrophobicContact CD1-CD1 4.47Å; L75-I104 HydrophobicContact CD1-CG2 4.04Å; L75-I104 HydrophobicContact CG-CG2 4.32Å; L75-T105 PolarHBondContact N-O 3.35Å; L75-T106 WeakPolarHBondContact O-CA 3.45Å; L75-D107 PolarHBondContact O-N 3.21Å
76S73.4Confident86.4Confident41 Ų4147.9 Ų47.929%0.28726%0.257SS..THydrogen-bonded Turntrans-62.4129.1169.2-151.50000110.6G78 D107S76-G78 VanDerWaalsContact C-N 3.35Å; S76-D107 WeakPolarHBondContact CA-OD2 3.5Å; S76-D107 VanDerWaalsContact CB-OD2 3.32Å; S76-D107 WeakPolarHBondContact CB-OD2 3.15Å; S76-D107 PolarHBondContact OG-OD2 3.19Å
77G66.8Low86.2Confident32 Ų3246.3 Ų46.333%0.3325%0.246SC..THydrogen-bonded Turntrans78.210.6-17500000115.4L75 E79L75-G77 PolarHBondContact O-N 3.42Å; G77-E79 PolarHBondContact O-N 3.24Å
78G65.8Low86Confident10 Ų1045.1 Ų45.110%0.10324%0.237CC..THydrogen-bonded Turntrans-74.149.9176.400000114.6L75 S76 I84L75-G78 PolarHBondContact O-N 2.95Å; L75-G78 VanDerWaalsContact O-N 3.13Å; S76-G78 VanDerWaalsContact C-N 3.35Å; G78-I84 WeakPolarHBondContact O-CD1 3.35Å
79E71.7Confident85.8Confident120 Ų12047.5 Ų47.556%0.56126%0.258SS*.THydrogen-bonded Turntrans-115.5-27.4-175.2-63.3-178.8-167.400113.4G77 K81 T106 K132G77-E79 PolarHBondContact O-N 3.24Å; E79-K81 PolarHBondContact O-N 2.95Å; E79-T106 HydrophobicContact CG-CG2 3.27Å; E79-K132 IonicContact OE1-NZ 2.9Å; E79-K132 PolarHBondContact OE1-NZ 3.39Å
80Q77.9Confident85.6Confident117 Ų11746.2 Ų46.255%0.54726%0.258SS..  trans-85.5111.2-176.3-168.4-178.334.400110.8D82 A83 I84Q80-D82 PolarHBondContact O-N 3.01Å; Q80-A83 HydrophobicContact CB-CB 4.14Å; Q80-A83 HydrophobicContact CG-CB 4.41Å; Q80-A83 PolarHBondContact O-N 3.01Å; Q80-A83 VanDerWaalsContact O-N 3.15Å; Q80-I84 WeakPolarHBondContact O-CG1 3.35Å; Q80-I84 PolarHBondContact O-N 3.42Å
81K81.7Confident85.4Confident147 Ų14746.2 Ų46.264%0.63926%0.258SS*.Hα-helixtrans-52-50.1-176.2-179.2167.2179.4154.70113.7E79 A83 I84 D85E79-K81 PolarHBondContact O-N 2.95Å; K81-A83 VanDerWaalsContact C-N 3.29Å; K81-A83 PolarHBondContact O-N 3.22Å; K81-I84 WeakPolarHBondContact O-CB 3.4Å; K81-I84 PolarHBondContact O-N 3.11Å; K81-I84 VanDerWaalsContact O-N 3.12Å; K81-D85 WeakPolarHBondContact CE-OD2 3.39Å; K81-D85 PolarHBondContact O-N 3.17Å
82D83.4Confident85.3Confident110 Ų11051.4 Ų51.459%0.58828%0.281SS*.Hα-helixtrans-62.8-37.3-177.6-60.7-21.5000112.3Q80 N86Q80-D82 PolarHBondContact O-N 3.01Å; D82-N86 WeakPolarHBondContact O-CB 3.38Å; D82-N86 PolarHBondContact O-N 3.09Å; D82-N86 PolarHBondContact O-ND2 3.27Å
83A81.3Confident85.2Confident29 Ų2959.2 Ų59.224%0.2432%0.317CS..Hα-helixtrans-68.4-39.917600000111.5Q80 K81 L87Q80-A83 HydrophobicContact CB-CB 4.14Å; Q80-A83 HydrophobicContact CG-CB 4.41Å; Q80-A83 PolarHBondContact O-N 3.01Å; Q80-A83 VanDerWaalsContact O-N 3.15Å; K81-A83 VanDerWaalsContact C-N 3.29Å; K81-A83 PolarHBondContact O-N 3.22Å; A83-L87 WeakPolarHBondContact O-CB 3.37Å; A83-L87 VanDerWaalsContact O-CG 3.29Å; A83-L87 WeakPolarHBondContact O-CG 3.27Å; A83-L87 PolarHBondContact O-N 3.08Å
84I87.8Confident85.3Confident25 Ų2564 Ų6413%0.12834%0.335CS..Hα-helixtrans-62.2-49.4174.9-71.1168.1000110.9G78 Q80 K81 N86 L87 I88 I104G78-I84 WeakPolarHBondContact O-CD1 3.35Å; Q80-I84 WeakPolarHBondContact O-CG1 3.35Å; Q80-I84 PolarHBondContact O-N 3.42Å; K81-I84 WeakPolarHBondContact O-CB 3.4Å; K81-I84 PolarHBondContact O-N 3.11Å; K81-I84 VanDerWaalsContact O-N 3.12Å; I84-N86 VanDerWaalsContact C-N 3.3Å; I84-N86 PolarHBondContact O-N 2.58Å; I84-L87 PolarHBondContact O-N 2.94Å; I84-I88 HydrophobicContact CG2-CD1 3.77Å; I84-I88 HydrophobicContact CG2-CG1 4.46Å; I84-I88 WeakPolarHBondContact O-CG1 3.36Å; I84-I88 PolarHBondContact O-N 3.33Å; I84-I104 HydrophobicContact CD1-CB 4.42Å; I84-I104 HydrophobicContact CD1-CG2 4.32Å; I84-I104 HydrophobicContact CG1-CB 4.12Å; I84-I104 HydrophobicContact CG1-CG2 3.99Å; I84-I104 HydrophobicContact CG2-CB 3.8Å; I84-I104 HydrophobicContact CG2-CD1 4.15Å; I84-I104 HydrophobicContact CG2-CG1 4.22Å
85D89.1Confident85.5Confident79 Ų7965.5 Ų65.542%0.42234%0.342SS..Hα-helixtrans-62.5-41.2-178-72-17.8000110.3K81 I88 A89K81-D85 WeakPolarHBondContact CE-OD2 3.39Å; K81-D85 PolarHBondContact O-N 3.17Å; D85-I88 PolarHBondContact O-N 3.49Å; D85-A89 WeakPolarHBondContact O-CB 3.37Å; D85-A89 PolarHBondContact O-N 3.17Å
86N89.1Confident86Confident107 Ų10769 Ų6957%0.57237%0.365SS*.Hα-helixtrans-63.4-45.3173.3-73.9-29.1000112.5D82 I84 I88 A89 V90D82-N86 WeakPolarHBondContact O-CB 3.38Å; D82-N86 PolarHBondContact O-N 3.09Å; D82-N86 PolarHBondContact O-ND2 3.27Å; I84-N86 VanDerWaalsContact C-N 3.3Å; I84-N86 PolarHBondContact O-N 2.58Å; N86-I88 VanDerWaalsContact C-N 3.33Å; N86-I88 PolarHBondContact O-N 2.89Å; N86-A89 PolarHBondContact O-N 3.26Å; N86-V90 WeakPolarHBondContact O-CG2 3.48Å; N86-V90 PolarHBondContact O-N 3.47Å
87L88.5Confident86.9Confident15 Ų1573 Ų738%0.07938%0.379CS..Hα-helixtrans-59.4-43.6176.7-80.4166.5000111.9V42 L46 A83 I84 M91 I104V42-L87 HydrophobicContact CB-CD2 4.29Å; V42-L87 HydrophobicContact CG1-CD2 3.46Å; V42-L87 VanDerWaalsContact CG1-CD2 3.46Å; V42-L87 HydrophobicContact CG2-CD2 4.05Å; L46-L87 HydrophobicContact CD2-CD2 3.97Å; L46-L87 HydrophobicContact CG-CD2 4.42Å; A83-L87 WeakPolarHBondContact O-CB 3.37Å; A83-L87 VanDerWaalsContact O-CG 3.29Å; A83-L87 WeakPolarHBondContact O-CG 3.27Å; A83-L87 PolarHBondContact O-N 3.08Å; I84-L87 PolarHBondContact O-N 2.94Å; L87-M91 WeakPolarHBondContact O-CB 3.45Å; L87-M91 PolarHBondContact O-N 3.35Å; L87-I104 HydrophobicContact CB-CD1 4.02Å; L87-I104 HydrophobicContact CD1-CD1 4.36Å
88I92.8Very high88.3Confident22 Ų2271.6 Ų71.611%0.11336%0.364CS..Hα-helixtrans-65.2-41177.7-69.3172.1000110.7I84 D85 N86 M91 K92 Y102 I104I84-I88 HydrophobicContact CG2-CD1 3.77Å; I84-I88 HydrophobicContact CG2-CG1 4.46Å; I84-I88 WeakPolarHBondContact O-CG1 3.36Å; I84-I88 PolarHBondContact O-N 3.33Å; D85-I88 PolarHBondContact O-N 3.49Å; N86-I88 VanDerWaalsContact C-N 3.33Å; N86-I88 PolarHBondContact O-N 2.89Å; I88-M91 PolarHBondContact O-N 3.42Å; I88-K92 HydrophobicContact CG2-CD 4.14Å; I88-K92 WeakPolarHBondContact O-CG 3.47Å; I88-K92 PolarHBondContact O-N 3.19Å; I88-Y102 HydrophobicContact CG2-CD2 4.31Å; I88-Y102 HydrophobicContact CG2-CG 4.3Å; I88-I104 HydrophobicContact CD1-CD1 4.39Å; I88-I104 HydrophobicContact CD1-CG1 4.26Å; I88-I104 HydrophobicContact CG1-CD1 3.91Å; I88-I104 HydrophobicContact CG1-CG1 4.19Å
89A93.6Very high89.8Confident54 Ų5471.4 Ų71.445%0.44636%0.361SS..Hα-helixtrans-61-49.4177.500000111.6D85 N86 M91 K92 E93D85-A89 WeakPolarHBondContact O-CB 3.37Å; D85-A89 PolarHBondContact O-N 3.17Å; N86-A89 PolarHBondContact O-N 3.26Å; A89-M91 VanDerWaalsContact C-N 3.34Å; A89-M91 PolarHBondContact O-N 2.86Å; A89-K92 PolarHBondContact O-N 3.05Å; A89-E93 PolarHBondContact O-N 2.87Å
90V93.7Very high91Very high52 Ų5269.9 Ų69.932%0.31535%0.354SS..Hα-helixtrans-64.4-39.2178.6179.70000111.3L46 N86 K92 E93 R94L46-V90 HydrophobicContact CD1-CB 3.86Å; L46-V90 HydrophobicContact CD1-CG1 3.42Å; L46-V90 VanDerWaalsContact CD1-CG1 3.42Å; N86-V90 WeakPolarHBondContact O-CG2 3.48Å; N86-V90 PolarHBondContact O-N 3.47Å; V90-K92 VanDerWaalsContact C-N 3.35Å; V90-K92 PolarHBondContact O-N 2.79Å; V90-E93 PolarHBondContact O-N 3.49Å; V90-R94 VanDerWaalsContact O-CB 3.26Å; V90-R94 WeakPolarHBondContact O-CB 3.45Å; V90-R94 PolarHBondContact O-N 2.97Å
91M93.5Very high92Very high1 Ų166.9 Ų66.91%0.00534%0.34CS..Hα-helixtrans-60.5-44.1175.9-168.376.988.700111.7L46 I49 M73 L87 I88 A89 F95 L98 Y102L46-M91 HydrophobicContact CB-CE 4.43Å; L46-M91 HydrophobicContact CB-SD 4.2Å; L46-M91 HydrophobicContact CD2-CB 4.32Å; L46-M91 HydrophobicContact CD2-CE 3.35Å; L46-M91 HydrophobicContact CD2-SD 3.84Å; L46-M91 HydrophobicContact CG-CE 4.47Å; I49-M91 HydrophobicContact CB-CE 3.93Å; I49-M91 HydrophobicContact CD1-CE 3.94Å; I49-M91 HydrophobicContact CG2-CE 3.59Å; M73-M91 HydrophobicContact CE-CE 4.44Å; M73-M91 HydrophobicContact SD-CE 4.1Å; L87-M91 WeakPolarHBondContact O-CB 3.45Å; L87-M91 PolarHBondContact O-N 3.35Å; I88-M91 PolarHBondContact O-N 3.42Å; A89-M91 VanDerWaalsContact C-N 3.34Å; A89-M91 PolarHBondContact O-N 2.86Å; M91-F95 WeakPolarHBondContact O-CA 3.21Å; M91-F95 PolarHBondContact O-N 2.95Å; M91-F95 HydrophobicContact SD-CD2 3.66Å; M91-F95 HydrophobicContact SD-CE2 4.16Å; M91-L98 HydrophobicContact CG-CD2 4.07Å; M91-L98 HydrophobicContact SD-CD2 3.76Å; M91-Y102 HydrophobicContact CB-CE1 4.37Å; M91-Y102 HydrophobicContact CG-CD1 4.17Å; M91-Y102 HydrophobicContact CG-CE1 3.5Å; M91-Y102 VanDerWaalsContact CG-CE1 3.5Å
92K94.9Very high92.7Very high108 Ų10860.3 Ų60.347%0.4731%0.311SS..Hα-helixtrans-66-40.5178.4-76175.5177.7-179.80112.7I88 A89 V90 P96 Y102I88-K92 HydrophobicContact CG2-CD 4.14Å; I88-K92 WeakPolarHBondContact O-CG 3.47Å; I88-K92 PolarHBondContact O-N 3.19Å; A89-K92 PolarHBondContact O-N 3.05Å; V90-K92 VanDerWaalsContact C-N 3.35Å; V90-K92 PolarHBondContact O-N 2.79Å; K92-P96 WeakPolarHBondContact O-CA 3.48Å; K92-Y102 HydrophobicContact CD-CD2 4.42Å; K92-Y102 HydrophobicContact CD-CE2 4.44Å; K92-Y102 HydrophobicContact CG-CD2 3.94Å; K92-Y102 HydrophobicContact CG-CE2 3.56Å
93E95.4Very high93.2Very high164 Ų16456.9 Ų56.977%0.76629%0.291SS*.Hα-helixtrans-65.5-47.7177.6-176.8-177.6170.900111.2A89 V90A89-E93 PolarHBondContact O-N 2.87Å; V90-E93 PolarHBondContact O-N 3.49Å
94R95.6Very high93.7Very high104 Ų10456.2 Ų56.239%0.39228%0.283SS..Hα-helixtrans-78.8-33.8-173-166.3175.4177.5-176.6-1.2113.4E47 V90E47-R94 VanDerWaalsContact CD-NH2 3.33Å; E47-R94 VanDerWaalsContact CG-NH1 3.32Å; E47-R94 VanDerWaalsContact CG-NH2 3.29Å; E47-R94 IonicContact OE1-CZ 3.21Å; E47-R94 IonicContact OE1-NH1 2.91Å; E47-R94 PolarHBondContact OE1-NH1 3.44Å; E47-R94 IonicContact OE1-NH2 2.64Å; E47-R94 PolarHBondContact OE1-NH2 3.24Å; V90-R94 VanDerWaalsContact O-CB 3.26Å; V90-R94 WeakPolarHBondContact O-CB 3.45Å; V90-R94 PolarHBondContact O-N 2.97Å
95F95.7Very high93.8Very high32 Ų3255.5 Ų55.514%0.1428%0.28CS..  trans-132.666.1-174.8-49-66.8000111.4L46 N50 M91 H97 L98L46-F95 HydrophobicContact CB-CE2 4.2Å; N50-F95 HydrophobicContact CB-CD1 4.04Å; N50-F95 HydrophobicContact CB-CD2 3.91Å; N50-F95 HydrophobicContact CB-CE1 3.91Å; N50-F95 HydrophobicContact CB-CE2 3.76Å; N50-F95 HydrophobicContact CB-CG 4.04Å; N50-F95 HydrophobicContact CB-CZ 3.75Å; N50-F95 VanDerWaalsContact CG-CD1 3.42Å; N50-F95 WeakPolarHBondContact OD1-CD1 3.48Å; M91-F95 WeakPolarHBondContact O-CA 3.21Å; M91-F95 PolarHBondContact O-N 2.95Å; M91-F95 HydrophobicContact SD-CD2 3.66Å; M91-F95 HydrophobicContact SD-CE2 4.16Å; F95-H97 PolarHBondContact O-N 3.3Å; F95-L98 HydrophobicContact CB-CB 3.85Å; F95-L98 HydrophobicContact CB-CD2 4.22Å; F95-L98 VanDerWaalsContact O-CB 3.3Å; F95-L98 WeakPolarHBondContact O-CB 3.34Å; F95-L98 PolarHBondContact O-N 3.5Å
96P93.6Very high93.6Very high81 Ų8151.9 Ų51.953%0.52626%0.26SS..THydrogen-bonded Turntrans-63.7-18.4-17125-35.6000114.6K92K92-P96 WeakPolarHBondContact O-CA 3.48Å
97H93.6Very high93.3Very high124 Ų12448.9 Ų48.957%0.57425%0.245SC*.THydrogen-bonded Turntrans-103.67.7179.5-57-55.9000113.7P67 F95P67-H97 VanDerWaalsContact CA-O 3.29Å; P67-H97 WeakPolarHBondContact CA-O 3.47Å; F95-H97 PolarHBondContact O-N 3.3Å
98L96.1Very high93.1Very high2 Ų248.4 Ų48.41%0.0124%0.242CC..SBendtrans-71.6-52.7-177.5-179.164.7000111.5N50 I53 K57 L68 L71 M91 F95 Y102N50-L98 HydrophobicContact CB-CD2 4.39Å; I53-L98 HydrophobicContact CB-CD1 3.72Å; I53-L98 HydrophobicContact CG1-CD1 4.36Å; I53-L98 HydrophobicContact CG2-CD1 3.46Å; I53-L98 VanDerWaalsContact CG2-CD1 3.46Å; K57-L98 PolarHBondContact NZ-O 2.87Å; L68-L98 PolarHBondContact N-O 3.46Å; L68-L98 VanDerWaalsContact N-O 3.09Å; L71-L98 HydrophobicContact CD2-CD2 4.17Å; L71-L98 HydrophobicContact CD2-CG 4.44Å; M91-L98 HydrophobicContact CG-CD2 4.07Å; M91-L98 HydrophobicContact SD-CD2 3.76Å; F95-L98 HydrophobicContact CB-CB 3.85Å; F95-L98 HydrophobicContact CB-CD2 4.22Å; F95-L98 VanDerWaalsContact O-CB 3.3Å; F95-L98 WeakPolarHBondContact O-CB 3.34Å; F95-L98 PolarHBondContact O-N 3.5Å; L98-Y102 WeakPolarHBondContact CB-OH 3.2Å; L98-Y102 HydrophobicContact CD2-CE1 4.28Å
99S97.5Very high92.8Very high6 Ų648.6 Ų48.64%0.04224%0.243CC..BIsolated β-bridgetrans-153.7147179.8-173.40000111.8L68 C70 L71 H101 Y102L68-S99 WeakPolarHBondContact O-CA 3.34Å; L68-S99 PolarHBondContact O-OG 3.4Å; C70-S99 VanDerWaalsContact C-OG 3.29Å; C70-S99 WeakPolarHBondContact CA-OG 3.46Å; L71-S99 PolarHBondContact N-OG 2.91Å; L71-S99 VanDerWaalsContact N-OG 3.13Å; S99-H101 PolarHBondContact OG-N 3.37Å; S99-H101 PolarHBondContact OG-O 2.88Å; S99-Y102 PolarHBondContact N-OH 3.44Å; S99-Y102 WeakPolarHBondContact O-CE2 3.47Å; S99-Y102 PolarHBondContact O-OH 3.45Å
100E97.2Very high92.7Very high89 Ų8946 Ų4642%0.41622%0.222SC..SBendtrans-69.8-38.4173.5-64.6174.9-17000111.7P67 L68 R69P67-E100 HydrophobicContact CB-CG 4.26Å; P67-E100 HydrophobicContact CG-CG 4.31Å; L68-E100 PolarHBondContact O-N 2.92Å; R69-E100 WeakPolarHBondContact CD-OE2 3.33Å; R69-E100 IonicContact CZ-OE2 3.55Å; R69-E100 IonicContact NE-OE2 3.75Å; R69-E100 IonicContact NH1-OE2 2.7Å; R69-E100 PolarHBondContact NH1-OE2 3.1Å
101H97.1Very high92.6Very high54 Ų5443.9 Ų43.925%0.2521%0.21CC..  trans-130.4147.8-175.8-63.7-70.4000111.2R69 C70 L71 S99 F324 F326R69-H101 PolarHBondContact O-CD2 3.41Å; C70-H101 CarbonylContact C-O 3.57Å; C70-H101 WeakPolarHBondContact CA-O 3.35Å; C70-H101 HydrophobicContact CB-CB 4.2Å; L71-H101 PolarHBondContact N-O 2.87Å; S99-H101 PolarHBondContact OG-N 3.37Å; S99-H101 PolarHBondContact OG-O 2.88Å; H101-F324 HydrophobicContact CB-CD1 4.2Å; H101-F324 HydrophobicContact CB-CD2 3.65Å; H101-F324 HydrophobicContact CB-CE1 4.17Å; H101-F324 HydrophobicContact CB-CE2 3.63Å; H101-F324 HydrophobicContact CB-CG 3.95Å; H101-F324 HydrophobicContact CB-CZ 3.9Å; H101-F324 AromaticContact CG-CD1 3.88Å; H101-F324 AromaticContact CG-CG 3.92Å; H101-F324 AromaticContact ND1-CD1 3.48Å; H101-F324 WeakPolarHBondContact ND1-CD1 3.37Å; H101-F324 AromaticContact ND1-CE1 3.52Å; H101-F326 AromaticContact CD2-CE2 3.8Å
102Y96.8Very high92.5Very high9 Ų944.2 Ų44.24%0.03521%0.212CC..EExtended strand (participates in β ladder)trans-132.7136.9-179.6-63-93.4000109.9L71 M73 I88 M91 K92 L98 S99 F324L71-Y102 HydrophobicContact CB-CD1 4.14Å; L71-Y102 HydrophobicContact CB-CE1 4.39Å; L71-Y102 HydrophobicContact CD2-CD1 4.11Å; L71-Y102 HydrophobicContact CD2-CE1 3.95Å; L71-Y102 WeakPolarHBondContact O-CA 3.48Å; M73-Y102 HydrophobicContact CE-CD1 4.02Å; I88-Y102 HydrophobicContact CG2-CD2 4.31Å; I88-Y102 HydrophobicContact CG2-CG 4.3Å; M91-Y102 HydrophobicContact CB-CE1 4.37Å; M91-Y102 HydrophobicContact CG-CD1 4.17Å; M91-Y102 HydrophobicContact CG-CE1 3.5Å; M91-Y102 VanDerWaalsContact CG-CE1 3.5Å; K92-Y102 HydrophobicContact CD-CD2 4.42Å; K92-Y102 HydrophobicContact CD-CE2 4.44Å; K92-Y102 HydrophobicContact CG-CD2 3.94Å; K92-Y102 HydrophobicContact CG-CE2 3.56Å; L98-Y102 WeakPolarHBondContact CB-OH 3.2Å; L98-Y102 HydrophobicContact CD2-CE1 4.28Å; S99-Y102 PolarHBondContact N-OH 3.44Å; S99-Y102 WeakPolarHBondContact O-CE2 3.47Å; S99-Y102 PolarHBondContact O-OH 3.45Å; Y102-F324 WeakPolarHBondContact O-CE2 3.27Å; Y102-F324 WeakPolarHBondContact O-CZ 3.13Å
103F94.9Very high92.4Very high38 Ų3839.7 Ų39.717%0.16720%0.195CC..EExtended strand (participates in β ladder)trans-134.6129.1174.6176.9-105.3000108.4L71 G72 M73 T105 L319 H323 F324L71-F103 PolarHBondContact O-N 3.36Å; G72-F103 CarbonylContact C-O 3.55Å; G72-F103 WeakPolarHBondContact CA-O 3.28Å; M73-F103 PolarHBondContact N-O 3Å; F103-T105 HydrophobicContact CE1-CG2 3.91Å; F103-L319 HydrophobicContact CD1-CB 4.06Å; F103-L319 HydrophobicContact CE1-CB 3.58Å; F103-L319 HydrophobicContact CE1-CD1 4.46Å; F103-L319 HydrophobicContact CZ-CB 4.45Å; F103-H323 HydrophobicContact CD2-CB 3.81Å; F103-H323 AromaticContact CD2-CD2 3.97Å; F103-H323 AromaticContact CD2-CG 3.56Å; F103-H323 AromaticContact CD2-ND1 3.75Å; F103-H323 HydrophobicContact CE2-CB 4.12Å; F103-H323 AromaticContact CE2-CG 3.85Å; F103-H323 AromaticContact CE2-ND1 3.6Å; F103-H323 HydrophobicContact CG-CB 4.28Å; F103-F324 HydrophobicContact CB-CE2 4.34Å
104I92.1Very high92.3Very high15 Ų1531.9 Ų31.98%0.07716%0.158CC..EExtended strand (participates in β ladder)trans-115.5134.9174.6-58.2-178.3000108.2M73 L75 I84 L87 I88M73-I104 HydrophobicContact CB-CG1 4.34Å; M73-I104 HydrophobicContact CE-CD1 3.8Å; M73-I104 HydrophobicContact CE-CG1 3.48Å; M73-I104 VanDerWaalsContact CE-CG1 3.48Å; M73-I104 WeakPolarHBondContact O-CA 3.3Å; L75-I104 HydrophobicContact CB-CG2 4.5Å; L75-I104 HydrophobicContact CD1-CD1 4.47Å; L75-I104 HydrophobicContact CD1-CG2 4.04Å; L75-I104 HydrophobicContact CG-CG2 4.32Å; I84-I104 HydrophobicContact CD1-CB 4.42Å; I84-I104 HydrophobicContact CD1-CG2 4.32Å; I84-I104 HydrophobicContact CG1-CB 4.12Å; I84-I104 HydrophobicContact CG1-CG2 3.99Å; I84-I104 HydrophobicContact CG2-CB 3.8Å; I84-I104 HydrophobicContact CG2-CD1 4.15Å; I84-I104 HydrophobicContact CG2-CG1 4.22Å; L87-I104 HydrophobicContact CB-CD1 4.02Å; L87-I104 HydrophobicContact CD1-CD1 4.36Å; I88-I104 HydrophobicContact CD1-CD1 4.39Å; I88-I104 HydrophobicContact CD1-CG1 4.26Å; I88-I104 HydrophobicContact CG1-CD1 3.91Å; I88-I104 HydrophobicContact CG1-CG1 4.19Å
105T88.8Confident92.2Very high10 Ų1027.4 Ų27.46%0.06114%0.144CC..EExtended strand (participates in β ladder)trans-141.7-177.3176.1-164.10000110M73 L75 F103 I109 L319M73-T105 PolarHBondContact O-N 3.45Å; L75-T105 PolarHBondContact N-O 3.35Å; F103-T105 HydrophobicContact CE1-CG2 3.91Å; T105-I109 HydrophobicContact CG2-CB 4.45Å; T105-I109 HydrophobicContact CG2-CG2 4.36Å; T105-I109 WeakPolarHBondContact OG1-CB 3.35Å; T105-I109 WeakPolarHBondContact OG1-CD1 3.09Å; T105-I109 WeakPolarHBondContact OG1-CG2 3.39Å; T105-L319 HydrophobicContact CG2-CD1 3.97Å
106T84.8Confident92Very high2 Ų226.9 Ų26.91%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-82.2154.2179.169.80000111.9L75 E79 A108 I109 G110L75-T106 WeakPolarHBondContact O-CA 3.45Å; E79-T106 HydrophobicContact CG-CG2 3.27Å; T106-A108 PolarHBondContact O-N 3.39Å; T106-I109 PolarHBondContact O-N 3.44Å; T106-I109 WeakPolarHBondContact OG1-CG1 3.41Å; T106-I109 PolarHBondContact OG1-N 3.24Å; T106-G110 PolarHBondContact O-N 2.76Å
107D83.6Confident91.7Very high45 Ų4528 Ų2824%0.24115%0.146CC..Hα-helixtrans-49.5-42.9167.147.612.5000112.5L75 S76 A111L75-D107 PolarHBondContact O-N 3.21Å; S76-D107 WeakPolarHBondContact CA-OD2 3.5Å; S76-D107 VanDerWaalsContact CB-OD2 3.32Å; S76-D107 WeakPolarHBondContact CB-OD2 3.15Å; S76-D107 PolarHBondContact OG-OD2 3.19Å; D107-A111 WeakPolarHBondContact O-CB 3.36Å; D107-A111 PolarHBondContact O-N 2.86Å
108A82.9Confident91.4Very high4 Ų430.2 Ų30.23%0.03315%0.149CC..Hα-helixtrans-67.3-45.9178.900000113.3T106 G110 A111 V112 V122 K132T106-A108 PolarHBondContact O-N 3.39Å; A108-G110 VanDerWaalsContact C-N 3.32Å; A108-G110 PolarHBondContact O-N 3.13Å; A108-A111 PolarHBondContact O-N 2.77Å; A108-V112 WeakPolarHBondContact O-CG2 3.23Å; A108-V112 PolarHBondContact O-N 3.45Å; A108-V122 HydrophobicContact CB-CG2 4.34Å; A108-K132 HydrophobicContact CB-CB 4.1Å; A108-K132 HydrophobicContact CB-CD 3.49Å; A108-K132 VanDerWaalsContact CB-CD 3.49Å; A108-K132 HydrophobicContact CB-CG 4.3Å
109I88Confident91.2Very high26 Ų2630.5 Ų30.513%0.13315%0.152CC..Hα-helixtrans-62.3-44.1176.7-70.8169.5000110.1T105 T106 A111 V112 A113 V134 Q140 L319T105-I109 HydrophobicContact CG2-CB 4.45Å; T105-I109 HydrophobicContact CG2-CG2 4.36Å; T105-I109 WeakPolarHBondContact OG1-CB 3.35Å; T105-I109 WeakPolarHBondContact OG1-CD1 3.09Å; T105-I109 WeakPolarHBondContact OG1-CG2 3.39Å; T106-I109 PolarHBondContact O-N 3.44Å; T106-I109 WeakPolarHBondContact OG1-CG1 3.41Å; T106-I109 PolarHBondContact OG1-N 3.24Å; I109-A111 VanDerWaalsContact C-N 3.31Å; I109-A111 PolarHBondContact O-N 2.84Å; I109-V112 PolarHBondContact O-N 3.13Å; I109-A113 VanDerWaalsContact O-CB 3.27Å; I109-A113 WeakPolarHBondContact O-CB 3.29Å; I109-A113 PolarHBondContact O-N 3.37Å; I109-V134 HydrophobicContact CG1-CG1 4.46Å; I109-V134 HydrophobicContact CG1-CG2 4.11Å; I109-Q140 HydrophobicContact CD1-CG 4.3Å; I109-Q140 VanDerWaalsContact CD1-OE1 3.31Å; I109-Q140 HydrophobicContact CG1-CG 4.41Å; I109-L319 HydrophobicContact CG2-CD1 3.51Å; I109-L319 HydrophobicContact CG2-CD2 4.37Å
110G90.9Very high91.1Very high0 Ų030.3 Ų30.30%015%0.152CC..Hα-helixtrans-57.2-43.5175.100000112.9S74 T106 A108 A113 T114S74-G110 VanDerWaalsContact OG-CA 3.23Å; S74-G110 WeakPolarHBondContact OG-CA 3.43Å; T106-G110 PolarHBondContact O-N 2.76Å; A108-G110 VanDerWaalsContact C-N 3.32Å; A108-G110 PolarHBondContact O-N 3.13Å; G110-A113 PolarHBondContact O-N 3.47Å; G110-T114 PolarHBondContact O-N 3.42Å; G110-T114 PolarHBondContact O-OG1 2.94Å
111A90.8Very high91.1Very high8 Ų826.1 Ų26.17%0.06613%0.132CC..Hα-helixtrans-64.3-46.6177.800000112.1D107 A108 I109 T114 A115 V122 L267 L308D107-A111 WeakPolarHBondContact O-CB 3.36Å; D107-A111 PolarHBondContact O-N 2.86Å; A108-A111 PolarHBondContact O-N 2.77Å; I109-A111 VanDerWaalsContact C-N 3.31Å; I109-A111 PolarHBondContact O-N 2.84Å; A111-T114 WeakPolarHBondContact O-CB 3.41Å; A111-T114 PolarHBondContact O-N 3.26Å; A111-A115 PolarHBondContact O-N 2.92Å; A111-V122 HydrophobicContact CB-CG2 4.38Å; A111-L267 VanDerWaalsContact C-CD2 3.49Å; A111-L267 HydrophobicContact CB-CD2 3.69Å; A111-L267 VanDerWaalsContact O-CD2 3.28Å; A111-L267 WeakPolarHBondContact O-CD2 3.35Å; A111-L308 HydrophobicContact CB-CD1 4.34Å
112V92.1Very high91Very high7 Ų723.7 Ų23.74%0.04212%0.121CC..Hα-helixtrans-61.2-47.9175.6177.60000111.1A108 I109 T114 A115 S116 G119 V122 V134A108-V112 WeakPolarHBondContact O-CG2 3.23Å; A108-V112 PolarHBondContact O-N 3.45Å; I109-V112 PolarHBondContact O-N 3.13Å; V112-T114 PolarHBondContact O-N 3.25Å; V112-T114 VanDerWaalsContact O-N 3.14Å; V112-A115 CarbonylContact O-C 3.51Å; V112-A115 PolarHBondContact O-N 3.14Å; V112-S116 PolarHBondContact O-N 3.4Å; V112-S116 VanDerWaalsContact O-O 3.13Å; V112-G119 VanDerWaalsContact CG1-C 3.43Å; V112-V122 HydrophobicContact CB-CG2 4.5Å; V112-V122 HydrophobicContact CG2-CG2 3.2Å; V112-V134 HydrophobicContact CB-CB 4.45Å; V112-V134 HydrophobicContact CB-CG2 4.36Å; V112-V134 HydrophobicContact CG1-CB 4.29Å; V112-V134 HydrophobicContact CG2-CB 4.15Å; V112-V134 HydrophobicContact CG2-CG2 3.8Å
113A92.2Very high91Very high13 Ų1323.3 Ų23.311%0.10712%0.119CC..Hα-helixtrans-65.4-16.6-179.500000113.5I109 G110 L319I109-A113 VanDerWaalsContact O-CB 3.27Å; I109-A113 WeakPolarHBondContact O-CB 3.29Å; I109-A113 PolarHBondContact O-N 3.37Å; G110-A113 PolarHBondContact O-N 3.47Å; A113-L319 HydrophobicContact CB-CD1 3.52Å; A113-L319 HydrophobicContact CB-CD2 3.87Å; A113-L319 HydrophobicContact CB-CG 3.6Å
114T94.4Very high90.9Very high0 Ų023.8 Ų23.80%012%0.123CC..Hα-helixtrans-77.8-38.3170.1-55.10000110.9G110 A111 V112 L308 S312 L314 G315 Y332 N335G110-T114 PolarHBondContact O-N 3.42Å; G110-T114 PolarHBondContact O-OG1 2.94Å; A111-T114 WeakPolarHBondContact O-CB 3.41Å; A111-T114 PolarHBondContact O-N 3.26Å; V112-T114 PolarHBondContact O-N 3.25Å; V112-T114 VanDerWaalsContact O-N 3.14Å; T114-L308 HydrophobicContact CG2-CD1 4.48Å; T114-L308 HydrophobicContact CG2-CD2 3.82Å; T114-S312 VanDerWaalsContact OG1-CA 3.3Å; T114-S312 WeakPolarHBondContact OG1-CA 3.43Å; T114-S312 PolarHBondContact OG1-O 3.22Å; T114-L314 HydrophobicContact CG2-CB 4.13Å; T114-G315 WeakPolarHBondContact OG1-CA 3.35Å; T114-G315 PolarHBondContact OG1-N 3.1Å; T114-Y332 WeakPolarHBondContact O-CD1 3.43Å; T114-N335 HydrophobicContact CG2-CB 4.19Å; T114-N335 WeakPolarHBondContact O-CB 3.41Å; T114-N335 PolarHBondContact O-ND2 3.35Å; T114-N335 VanDerWaalsContact O-ND2 3.11Å
115A93.6Very high91.1Very high11 Ų1123.1 Ų23.19%0.09112%0.12CC..Hα-helixtrans-87.3-27.7-175.300000114.5A111 V112 L267 L308 A336A111-A115 PolarHBondContact O-N 2.92Å; V112-A115 CarbonylContact O-C 3.51Å; V112-A115 PolarHBondContact O-N 3.14Å; A115-L267 HydrophobicContact CB-CD1 3.95Å; A115-L267 HydrophobicContact CB-CD2 4.2Å; A115-L308 HydrophobicContact CB-CD2 3.88Å; A115-A336 HydrophobicContact CB-CB 3.8Å
116S90.7Very high91.2Very high21 Ų2123.1 Ų23.115%0.14712%0.122CC..  trans-159.5143.3-168.8174.60000111.8V112 R118 G119V112-S116 PolarHBondContact O-N 3.4Å; V112-S116 VanDerWaalsContact O-O 3.13Å; S116-R118 PolarHBondContact OG-N 2.91Å; S116-G119 PolarHBondContact OG-O 3.43Å
117D87.5Confident91.4Very high105 Ų10526.1 Ų26.156%0.56114%0.14SC*.SBendtrans-86.1-5.7167.158.7-8000113.5Y332D117-Y332 HydrophobicContact CB-CE2 3.67Å; D117-Y332 WeakPolarHBondContact CB-OH 3.33Å
118R87Confident91.6Very high170 Ų17024.7 Ų24.764%0.64214%0.137SC*.SBendtrans-102.34.5-173.5-46.3-166.9-173.4174.41.7113.8S116 P136 L257S116-R118 PolarHBondContact OG-N 2.91Å; R118-P136 WeakPolarHBondContact O-CD 3.29Å; R118-P136 VanDerWaalsContact O-CG 3.23Å; R118-P136 WeakPolarHBondContact O-CG 3.27Å; R118-L257 VanDerWaalsContact O-CD2 3.23Å; R118-L257 WeakPolarHBondContact O-CD2 3.48Å
119G92Very high92.1Very high7 Ų724.7 Ų24.77%0.07214%0.137CC..  trans79.9-167.8-166.300000112.4V112 S116 V134V112-G119 VanDerWaalsContact CG1-C 3.43Å; S116-G119 PolarHBondContact OG-O 3.43Å; G119-V134 CarbonylContact C-O 3.29Å; G119-V134 VanDerWaalsContact CA-O 3.22Å; G119-V134 WeakPolarHBondContact CA-O 3.42Å
120G95.3Very high92.3Very high3 Ų325.2 Ų25.23%0.03114%0.139CC..EExtended strand (participates in β ladder)trans156-173.7-177.500000112.5V134G120-V134 PolarHBondContact N-O 2.79Å; G120-V134 PolarHBondContact O-N 3.43Å
121V96.9Very high92.6Very high1 Ų125.2 Ų25.21%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-103.8136.1173.9173.40000109.4K132 L133 V246 V249 L264 P265 I266 L267V121-K132 CarbonylContact C-O 3.56Å; V121-K132 WeakPolarHBondContact CA-O 3.47Å; V121-L133 HydrophobicContact CG2-CB 4.28Å; V121-L133 HydrophobicContact CG2-CD1 3.76Å; V121-V246 HydrophobicContact CG1-CG2 4.43Å; V121-V249 HydrophobicContact CG2-CG2 4.35Å; V121-L264 HydrophobicContact CG2-CD1 4.06Å; V121-L264 HydrophobicContact CG2-CD2 4.19Å; V121-L264 HydrophobicContact CG2-CG 4.37Å; V121-P265 PolarHBondContact N-O 2.81Å; V121-I266 HydrophobicContact CB-CG1 4.36Å; V121-I266 HydrophobicContact CG1-CG2 4.25Å; V121-I266 CarbonylContact O-C 3.44Å; V121-I266 WeakPolarHBondContact O-CA 3.42Å; V121-L267 PolarHBondContact O-N 3.5Å
122V95.7Very high92.8Very high3 Ų326.1 Ų26.12%0.01814%0.142CC..EExtended strand (participates in β ladder)trans-101.7125.1162.5-171.70000108.1A108 A111 V112 I124 C131 K132 L267 V269A108-V122 HydrophobicContact CB-CG2 4.34Å; A111-V122 HydrophobicContact CB-CG2 4.38Å; V112-V122 HydrophobicContact CB-CG2 4.5Å; V112-V122 HydrophobicContact CG2-CG2 3.2Å; V122-I124 HydrophobicContact CG1-CD1 4.48Å; V122-I124 HydrophobicContact CG1-CG1 3.95Å; V122-C131 WeakPolarHBondContact O-CA 3.43Å; V122-K132 PolarHBondContact N-O 3.19Å; V122-K132 PolarHBondContact O-N 2.93Å; V122-L267 WeakPolarHBondContact CA-O 3.43Å; V122-L267 HydrophobicContact CG2-CB 4.42Å; V122-L267 HydrophobicContact CG2-CD2 4.35Å; V122-V269 HydrophobicContact CG1-CG2 3.99Å
123L97.3Very high93Very high0 Ų025.9 Ų25.90%014%0.14CC..EExtended strand (participates in β ladder)trans-121.4109.1175.2-171.566.2000109.7C131 L242 H245 V246 I266 L267 V269 W273 F283L123-C131 HydrophobicContact CD1-CB 3.57Å; L123-L242 HydrophobicContact CD1-CD2 4.38Å; L123-L242 HydrophobicContact CD2-CB 4.1Å; L123-L242 HydrophobicContact CD2-CD2 4.48Å; L123-L242 HydrophobicContact CG-CD2 4.44Å; L123-H245 HydrophobicContact CD1-CB 4.06Å; L123-V246 HydrophobicContact CD1-CG2 4.33Å; L123-V246 HydrophobicContact CD2-CG2 3.76Å; L123-V246 HydrophobicContact CG-CG2 4.49Å; L123-I266 HydrophobicContact CB-CG2 3.82Å; L123-I266 HydrophobicContact CD2-CG2 4.47Å; L123-L267 PolarHBondContact N-O 2.81Å; L123-V269 PolarHBondContact O-N 2.86Å; L123-V269 VanDerWaalsContact O-N 3.08Å; L123-W273 HydrophobicContact CB-CZ2 3.9Å; L123-W273 HydrophobicContact CD2-CH2 3.46Å; L123-W273 VanDerWaalsContact CD2-CH2 3.46Å; L123-W273 HydrophobicContact CD2-CZ2 3.41Å; L123-W273 VanDerWaalsContact CD2-CZ2 3.41Å; L123-W273 HydrophobicContact CG-CH2 4.22Å; L123-W273 HydrophobicContact CG-CZ2 3.63Å; L123-W273 PolarHBondContact O-NE1 3.46Å; L123-F283 HydrophobicContact CD2-CE2 3.65Å; L123-F283 HydrophobicContact CD2-CZ 4.1Å
124I92.8Very high93.1Very high49 Ų4925.7 Ų25.725%0.25114%0.138SC..EExtended strand (participates in β ladder)trans-93.5127.3-177.3-50.3-174.6000108.9V122 S129 N130 V269V122-I124 HydrophobicContact CG1-CD1 4.48Å; V122-I124 HydrophobicContact CG1-CG1 3.95Å; I124-S129 WeakPolarHBondContact O-CA 3.49Å; I124-S129 VanDerWaalsContact O-CB 3.28Å; I124-S129 WeakPolarHBondContact O-CB 3.48Å; I124-N130 HydrophobicContact CB-CB 4.23Å; I124-N130 HydrophobicContact CD1-CB 4.25Å; I124-N130 HydrophobicContact CG1-CB 4.4Å; I124-N130 PolarHBondContact N-O 3.41Å; I124-N130 PolarHBondContact O-N 2.91Å; I124-N130 VanDerWaalsContact O-N 3.11Å; I124-V269 CarbonylContact C-O 3.44Å; I124-V269 VanDerWaalsContact CA-O 3.24Å; I124-V269 WeakPolarHBondContact CA-O 3.25Å; I124-V269 HydrophobicContact CG1-CB 4.22Å
125S96.1Very high93Very high0 Ų026.1 Ų26.10%014%0.14CC..EExtended strand (participates in β ladder)trans-142.3100.1167.2-172.20000111.1G154 V269 G270 S271 V272S125-G154 PolarHBondContact OG-O 3.05Å; S125-V269 PolarHBondContact N-O 2.89Å; S125-G270 CarbonylContact O-C 3.53Å; S125-G270 VanDerWaalsContact O-CA 3.26Å; S125-G270 WeakPolarHBondContact O-CA 3.43Å; S125-S271 PolarHBondContact O-N 2.8Å; S125-V272 WeakPolarHBondContact O-CB 3.28Å; S125-V272 PolarHBondContact O-N 3.09Å; S125-V272 VanDerWaalsContact OG-CB 3.25Å; S125-V272 WeakPolarHBondContact OG-CB 3.3Å; S125-V272 WeakPolarHBondContact OG-CG2 3.38Å
126G91.1Very high92.7Very high11 Ų1128.3 Ų28.311%0.11315%0.154CC..SBendtrans-132.5-129.1175.600000109.5G128 G156G126-G128 CarbonylContact C-O 3.5Å; G126-G128 PolarHBondContact N-O 3.17Å; G126-G128 PolarHBondContact O-N 3.05Å; G126-G156 PolarHBondContact O-N 2.9Å
127T88.1Confident92.5Very high64 Ų6432.3 Ų32.339%0.39317%0.173SC..SBendtrans-60.3-32.2169.7-56.30000112.4S155 F157 K210 A214T127-S155 PolarHBondContact O-OG 3.31Å; T127-F157 WeakPolarHBondContact O-CB 3.39Å; T127-F157 PolarHBondContact O-N 2.75Å; T127-K210 HydrophobicContact CG2-CD 4.05Å; T127-K210 HydrophobicContact CG2-CG 3.95Å; T127-A214 HydrophobicContact CG2-CB 3.78Å
128G88.4Confident92.2Very high16 Ų1629.4 Ų29.417%0.16517%0.168CC..SBendtrans-126.4-174.2170.600000111G126 D152 S155G126-G128 CarbonylContact C-O 3.5Å; G126-G128 PolarHBondContact N-O 3.17Å; G126-G128 PolarHBondContact O-N 3.05Å; G128-D152 WeakPolarHBondContact CA-OD1 3.33Å; G128-S155 WeakPolarHBondContact O-CB 3.46Å
129S93.7Very high92.2Very high4 Ų423.6 Ų23.63%0.02815%0.153CC..EExtended strand (participates in β ladder)trans-137.5153.1178.364.30000112.9I124 G145 D152 E153I124-S129 WeakPolarHBondContact O-CA 3.49Å; I124-S129 VanDerWaalsContact O-CB 3.28Å; I124-S129 WeakPolarHBondContact O-CB 3.48Å; S129-G145 WeakPolarHBondContact O-CA 3.44Å; S129-G145 PolarHBondContact O-N 3.35Å; S129-D152 PolarHBondContact N-OD1 3.13Å; S129-D152 VanDerWaalsContact OG-CA 3.31Å; S129-D152 WeakPolarHBondContact OG-CA 3.37Å; S129-D152 PolarHBondContact OG-O 2.88Å; S129-E153 WeakPolarHBondContact CB-O 3.41Å; S129-E153 PolarHBondContact OG-N 2.84Å; S129-E153 PolarHBondContact OG-O 2.99Å
130N92.5Very high92.1Very high36 Ų3627.2 Ų27.219%0.19317%0.168CC..EExtended strand (participates in β ladder)trans-158.4148.2177-164.1-3.9000109.8I124 C143I124-N130 HydrophobicContact CB-CB 4.23Å; I124-N130 HydrophobicContact CD1-CB 4.25Å; I124-N130 HydrophobicContact CG1-CB 4.4Å; I124-N130 PolarHBondContact N-O 3.41Å; I124-N130 PolarHBondContact O-N 2.91Å; I124-N130 VanDerWaalsContact O-N 3.11Å; N130-C143 PolarHBondContact OD1-O 3.1Å
131C96.3Very high92.1Very high0 Ų029.6 Ų29.60%018%0.182CC..EExtended strand (participates in β ladder)trans-129.4129.8172.8-177.30000109.7V122 L123 G142 C143 H245V122-C131 WeakPolarHBondContact O-CA 3.43Å; L123-C131 HydrophobicContact CD1-CB 3.57Å; C131-G142 CarbonylContact O-C 3.6Å; C131-G142 VanDerWaalsContact O-CA 3.24Å; C131-G142 WeakPolarHBondContact O-CA 3.49Å; C131-C143 HydrophobicContact CB-CB 4.3Å; C131-C143 WeakPolarHBondContact CB-O 3.11Å; C131-C143 PolarHBondContact N-O 3.21Å; C131-C143 PolarHBondContact O-N 3.39Å; C131-H245 HydrophobicContact CB-CB 3.63Å
132K94.9Very high91.9Very high28 Ų2831.9 Ų31.912%0.12221%0.206CC..EExtended strand (participates in β ladder)trans-132.7131.5172.4-70.9-170.1174.7-175.40110.4E79 A108 V121 V122 V141E79-K132 IonicContact OE1-NZ 2.9Å; E79-K132 PolarHBondContact OE1-NZ 3.39Å; A108-K132 HydrophobicContact CB-CB 4.1Å; A108-K132 HydrophobicContact CB-CD 3.49Å; A108-K132 VanDerWaalsContact CB-CD 3.49Å; A108-K132 HydrophobicContact CB-CG 4.3Å; V121-K132 CarbonylContact C-O 3.56Å; V121-K132 WeakPolarHBondContact CA-O 3.47Å; V122-K132 PolarHBondContact N-O 3.19Å; V122-K132 PolarHBondContact O-N 2.93Å; K132-V141 WeakPolarHBondContact CA-O 3.46Å
133L95.9Very high92Very high1 Ų133.3 Ų33.31%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-93.6134.8166.4169.368.1000108.4V121 Q140 V141 V249 A252 A253 L257V121-L133 HydrophobicContact CG2-CB 4.28Å; V121-L133 HydrophobicContact CG2-CD1 3.76Å; L133-Q140 VanDerWaalsContact O-CA 3.3Å; L133-Q140 WeakPolarHBondContact O-CA 3.3Å; L133-V141 HydrophobicContact CB-CG1 3.78Å; L133-V141 HydrophobicContact CD2-CG1 3.82Å; L133-V141 HydrophobicContact CG-CG1 4.3Å; L133-V141 PolarHBondContact N-O 3.27Å; L133-V141 PolarHBondContact O-N 3.43Å; L133-V249 HydrophobicContact CB-CB 3.93Å; L133-V249 HydrophobicContact CB-CG2 3.97Å; L133-V249 WeakPolarHBondContact CD2-O 3.21Å; L133-A252 HydrophobicContact CD2-CB 4.16Å; L133-A253 HydrophobicContact CD1-CB 4.31Å; L133-A253 HydrophobicContact CD2-CB 3.84Å; L133-L257 HydrophobicContact CD1-CD1 3.72Å
134V94Very high91.9Very high10 Ų1034.1 Ų34.16%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-121.2115.5170-1760000107.4I109 V112 G119 G120 Q140I109-V134 HydrophobicContact CG1-CG1 4.46Å; I109-V134 HydrophobicContact CG1-CG2 4.11Å; V112-V134 HydrophobicContact CB-CB 4.45Å; V112-V134 HydrophobicContact CB-CG2 4.36Å; V112-V134 HydrophobicContact CG1-CB 4.29Å; V112-V134 HydrophobicContact CG2-CB 4.15Å; V112-V134 HydrophobicContact CG2-CG2 3.8Å; G119-V134 CarbonylContact C-O 3.29Å; G119-V134 VanDerWaalsContact CA-O 3.22Å; G119-V134 WeakPolarHBondContact CA-O 3.42Å; G120-V134 PolarHBondContact N-O 2.79Å; G120-V134 PolarHBondContact O-N 3.43Å; V134-Q140 HydrophobicContact CG2-CG 4.31Å
135N92.9Very high91.5Very high9 Ų933.5 Ų33.55%0.04823%0.23CC..  trans-80.6161.4177-77.5-44.9000111.8D137 G138 S139 A252 Q254N135-D137 VanDerWaalsContact CB-OD1 3.23Å; N135-D137 WeakPolarHBondContact CB-OD1 3.23Å; N135-D137 PolarHBondContact O-N 3.31Å; N135-D137 VanDerWaalsContact O-N 3.17Å; N135-G138 WeakPolarHBondContact O-CA 3.19Å; N135-G138 PolarHBondContact O-N 3.14Å; N135-S139 WeakPolarHBondContact CB-OG 3.41Å; N135-S139 PolarHBondContact N-O 2.95Å; N135-S139 PolarHBondContact ND2-OG 3.24Å; N135-A252 PolarHBondContact ND2-O 3.29Å; N135-A252 PolarHBondContact OD1-O 2.91Å; N135-Q254 HydrophobicContact CB-CG 4.07Å; N135-Q254 PolarHBondContact OD1-N 2.86Å
136P88.4Confident91Very high57 Ų5743.1 Ų43.137%0.3727%0.266SS..THydrogen-bonded Turntrans-54.5-30174.5-19.621000114.8R118 G138 S256R118-P136 WeakPolarHBondContact O-CD 3.29Å; R118-P136 VanDerWaalsContact O-CG 3.23Å; R118-P136 WeakPolarHBondContact O-CG 3.27Å; P136-G138 PolarHBondContact O-N 2.73Å; P136-S256 WeakPolarHBondContact CG-OG 3.45Å
137D85.8Confident90.5Very high105 Ų10543.4 Ų43.456%0.56127%0.269SS*.THydrogen-bonded Turntrans-81.11176.670.3-7000113.8N135 S139 Q254N135-D137 VanDerWaalsContact CB-OD1 3.23Å; N135-D137 WeakPolarHBondContact CB-OD1 3.23Å; N135-D137 PolarHBondContact O-N 3.31Å; N135-D137 VanDerWaalsContact O-N 3.17Å; D137-S139 VanDerWaalsContact C-N 3.31Å; D137-S139 WeakPolarHBondContact OD1-CB 3.39Å; D137-S139 PolarHBondContact OD1-N 3.23Å; D137-S139 PolarHBondContact OD1-OG 3.49Å; D137-Q254 PolarHBondContact OD1-NE2 3.04Å; D137-Q254 PolarHBondContact OD2-NE2 2.85Å
138G80.8Confident90.4Very high43 Ų4343.2 Ų43.244%0.44326%0.264SS..SBendtrans82.6-1.8-177.100000115N135 P136N135-G138 WeakPolarHBondContact O-CA 3.19Å; N135-G138 PolarHBondContact O-N 3.14Å; P136-G138 PolarHBondContact O-N 2.73Å
139S88Confident90.5Very high48 Ų4849.8 Ų49.834%0.33629%0.292SS..  trans-65.5147.2173.764.90000111.3N135 D137N135-S139 WeakPolarHBondContact CB-OG 3.41Å; N135-S139 PolarHBondContact N-O 2.95Å; N135-S139 PolarHBondContact ND2-OG 3.24Å; D137-S139 VanDerWaalsContact C-N 3.31Å; D137-S139 WeakPolarHBondContact OD1-CB 3.39Å; D137-S139 PolarHBondContact OD1-N 3.23Å; D137-S139 PolarHBondContact OD1-OG 3.49Å
140Q89.4Confident90.5Very high84 Ų8456.6 Ų56.639%0.39333%0.325SS..EExtended strand (participates in β ladder)trans-131.3145.9-172.2-69.9173.586.600111.9I109 L133 V134I109-Q140 HydrophobicContact CD1-CG 4.3Å; I109-Q140 VanDerWaalsContact CD1-OE1 3.31Å; I109-Q140 HydrophobicContact CG1-CG 4.41Å; L133-Q140 VanDerWaalsContact O-CA 3.3Å; L133-Q140 WeakPolarHBondContact O-CA 3.3Å; V134-Q140 HydrophobicContact CG2-CG 4.31Å
141V94.3Very high90.6Very high53 Ų5355.6 Ų55.632%0.32132%0.323SS..EExtended strand (participates in β ladder)trans-140.8146.4164.165.90000109.4K132 L133 V249 A252K132-V141 WeakPolarHBondContact CA-O 3.46Å; L133-V141 HydrophobicContact CB-CG1 3.78Å; L133-V141 HydrophobicContact CD2-CG1 3.82Å; L133-V141 HydrophobicContact CG-CG1 4.3Å; L133-V141 PolarHBondContact N-O 3.27Å; L133-V141 PolarHBondContact O-N 3.43Å; V141-V249 HydrophobicContact CG1-CB 3.76Å; V141-V249 HydrophobicContact CG1-CG1 3.92Å; V141-A252 HydrophobicContact CB-CB 4.31Å; V141-A252 HydrophobicContact CG1-CB 3.69Å
142G94.3Very high90.5Very high48 Ų4855.9 Ų55.950%0.49533%0.325SS..EExtended strand (participates in β ladder)trans-119.8158-179.600000113C131C131-G142 CarbonylContact O-C 3.6Å; C131-G142 VanDerWaalsContact O-CA 3.24Å; C131-G142 WeakPolarHBondContact O-CA 3.49Å
143C97Very high90.6Very high34 Ų3457.9 Ų57.923%0.2333%0.334CS..EExtended strand (participates in β ladder)trans-138.9133.8166.8-176.70000108.7N130 C131 H245 A248 V249N130-C143 PolarHBondContact OD1-O 3.1Å; C131-C143 HydrophobicContact CB-CB 4.3Å; C131-C143 WeakPolarHBondContact CB-O 3.11Å; C131-C143 PolarHBondContact N-O 3.21Å; C131-C143 PolarHBondContact O-N 3.39Å; C143-H245 HydrophobicContact CB-CB 4.46Å; C143-H245 PolarHBondContact O-CD2 3.36Å; C143-A248 HydrophobicContact CB-CB 4.1Å; C143-V249 HydrophobicContact CB-CG1 3.95Å
144G94.6Very high90.7Very high17 Ų1757.9 Ų57.918%0.17533%0.334CS..EExtended strand (participates in β ladder)trans73.3-154.4-176.500000113.1
145G85.9Confident90.9Very high36 Ų3657.4 Ų57.437%0.37133%0.331SS..  trans83.79.8-177.400000115.3S129S129-G145 WeakPolarHBondContact O-CA 3.44Å; S129-G145 PolarHBondContact O-N 3.35Å
146W85.4Confident91.2Very high201 Ų20157.1 Ų57.176%0.76133%0.33SS*.SBendtrans-86.6-4.2-176.3-54.6117.9000114.7M150W146-M150 HydrophobicContact CB-CB 3.86Å
147G78.8Confident91.6Very high17 Ų1755.2 Ų55.218%0.17532%0.316CS..  trans79.1165.3-179.500000114.2M149 M150 G151 D152G147-M149 PolarHBondContact O-N 3.47Å; G147-M150 CarbonylContact O-C 3.43Å; G147-M150 PolarHBondContact O-N 3Å; G147-G151 CarbonylContact O-C 3.6Å; G147-G151 PolarHBondContact O-N 3.36Å; G147-D152 VanDerWaalsContact C-CG 3.5Å; G147-D152 VanDerWaalsContact C-OD2 3.25Å; G147-D152 VanDerWaalsContact CA-CG 3.49Å; G147-D152 VanDerWaalsContact CA-OD2 3.26Å; G147-D152 WeakPolarHBondContact CA-OD2 3.45Å
148H86.4Confident92.3Very high61 Ų6152.4 Ų52.428%0.28230%0.298SS..THydrogen-bonded Turntrans-49.8-25.5-172.766.6-63.7000118.2M150 D152 F157 F208H148-M150 VanDerWaalsContact C-N 3.34Å; H148-D152 PolarHBondContact N-OD2 3.35Å; H148-F157 HydrophobicContact CB-CD1 3.55Å; H148-F157 HydrophobicContact CB-CD2 4.19Å; H148-F157 HydrophobicContact CB-CE1 3.45Å; H148-F157 VanDerWaalsContact CB-CE1 3.45Å; H148-F157 HydrophobicContact CB-CE2 4.07Å; H148-F157 HydrophobicContact CB-CG 3.95Å; H148-F157 HydrophobicContact CB-CZ 3.71Å; H148-F208 AromaticContact CD2-CE1 3.97Å; H148-F208 AromaticContact CD2-CZ 3.74Å; H148-F208 AromaticContact NE2-CE1 3.47Å; H148-F208 WeakPolarHBondContact NE2-CE1 3.12Å; H148-F208 AromaticContact NE2-CZ 3.75Å
149M92Very high93.1Very high154 Ų15450.4 Ų50.476%0.75928%0.277SS*.THydrogen-bonded Turntrans-77.1-24.7178.4-66.7-62.5-6600112.5G147G147-M149 PolarHBondContact O-N 3.47Å
150M93.7Very high93.6Very high147 Ų14748.1 Ų48.172%0.72426%0.261SS*.THydrogen-bonded Turntrans-132.111.8-171.3-66.8-56-5400113.1W146 G147 H148W146-M150 HydrophobicContact CB-CB 3.86Å; G147-M150 CarbonylContact O-C 3.43Å; G147-M150 PolarHBondContact O-N 3Å; H148-M150 VanDerWaalsContact C-N 3.34Å
151G93.1Very high94.1Very high14 Ų1448.2 Ų48.214%0.14426%0.261CS..  trans163.5-124.2-176.800000112.8G147 E153G147-G151 CarbonylContact O-C 3.6Å; G147-G151 PolarHBondContact O-N 3.36Å; G151-E153 VanDerWaalsContact C-N 3.29Å; G151-E153 WeakPolarHBondContact CA-OE2 3.48Å
152D93.9Very high94.3Very high7 Ų747.7 Ų47.74%0.03726%0.256CS..  trans66.125-168.8-81.4-23.2000113.4G128 S129 G147 H148 G154 S155 W158 K210G128-D152 WeakPolarHBondContact CA-OD1 3.33Å; S129-D152 PolarHBondContact N-OD1 3.13Å; S129-D152 VanDerWaalsContact OG-CA 3.31Å; S129-D152 WeakPolarHBondContact OG-CA 3.37Å; S129-D152 PolarHBondContact OG-O 2.88Å; G147-D152 VanDerWaalsContact C-CG 3.5Å; G147-D152 VanDerWaalsContact C-OD2 3.25Å; G147-D152 VanDerWaalsContact CA-CG 3.49Å; G147-D152 VanDerWaalsContact CA-OD2 3.26Å; G147-D152 WeakPolarHBondContact CA-OD2 3.45Å; H148-D152 PolarHBondContact N-OD2 3.35Å; D152-G154 PolarHBondContact O-N 3.12Å; D152-S155 WeakPolarHBondContact O-CB 3.36Å; D152-S155 PolarHBondContact O-N 3.33Å; D152-S155 VanDerWaalsContact O-N 3.07Å; D152-S155 PolarHBondContact O-OG 3.26Å; D152-W158 WeakPolarHBondContact O-CB 3.35Å; D152-K210 WeakPolarHBondContact OD2-CE 3.41Å; D152-K210 IonicContact OD2-NZ 2.76Å; D152-K210 PolarHBondContact OD2-NZ 3.11Å
153E98.6Very high94.5Very high70 Ų7045.4 Ų45.433%0.32723%0.233SC..THydrogen-bonded Turntrans-58.1133.9179.8-58.288.1157.700111.9S129 G151 S155 W158 V241S129-E153 WeakPolarHBondContact CB-O 3.41Å; S129-E153 PolarHBondContact OG-N 2.84Å; S129-E153 PolarHBondContact OG-O 2.99Å; G151-E153 VanDerWaalsContact C-N 3.29Å; G151-E153 WeakPolarHBondContact CA-OE2 3.48Å; E153-S155 VanDerWaalsContact C-N 3.26Å; E153-S155 PolarHBondContact O-N 3.15Å; E153-W158 HydrophobicContact CB-CG 4.42Å; E153-V241 HydrophobicContact CB-CB 4.04Å; E153-V241 HydrophobicContact CB-CG2 3.95Å
154G98.2Very high94.6Very high0 Ų044 Ų440%022%0.223CC..THydrogen-bonded Turntrans79.71.1-177.900000115.1S125 D152 V241S125-G154 PolarHBondContact OG-O 3.05Å; D152-G154 PolarHBondContact O-N 3.12Å; G154-V241 VanDerWaalsContact N-CG2 3.31Å
155S97.9Very high94.8Very high0 Ų047.4 Ų47.40%023%0.233CC..SBendtrans-78.7169.717072.90000113T127 G128 D152 E153 F157 W158 I159T127-S155 PolarHBondContact O-OG 3.31Å; G128-S155 WeakPolarHBondContact O-CB 3.46Å; D152-S155 WeakPolarHBondContact O-CB 3.36Å; D152-S155 PolarHBondContact O-N 3.33Å; D152-S155 VanDerWaalsContact O-N 3.07Å; D152-S155 PolarHBondContact O-OG 3.26Å; E153-S155 VanDerWaalsContact C-N 3.26Å; E153-S155 PolarHBondContact O-N 3.15Å; S155-F157 VanDerWaalsContact C-N 3.29Å; S155-F157 PolarHBondContact O-N 2.9Å; S155-F157 PolarHBondContact OG-N 2.8Å; S155-W158 PolarHBondContact O-N 3.32Å; S155-W158 VanDerWaalsContact O-N 3.16Å; S155-W158 PolarHBondContact OG-N 3.04Å; S155-W158 VanDerWaalsContact OG-N 3.11Å; S155-I159 VanDerWaalsContact O-CG1 3.28Å; S155-I159 WeakPolarHBondContact O-CG1 3.26Å; S155-I159 PolarHBondContact O-N 3.34Å
156G98.2Very high95.4Very high3 Ų346.7 Ų46.73%0.03122%0.221CC..Hα-helixtrans-62.2-33.2171.400000113.3G126 A160G126-G156 PolarHBondContact O-N 2.9Å; G156-A160 WeakPolarHBondContact O-CB 3.15Å; G156-A160 PolarHBondContact O-N 2.91Å; G156-A160 VanDerWaalsContact O-N 3.09Å
157F98.1Very high96Very high17 Ų1737.1 Ų37.18%0.07519%0.185CC..Hα-helixtrans-62.5-47.6171.4176.5-88000110.8T127 H148 S155 A160 H161 F208 K210 F213 A214T127-F157 WeakPolarHBondContact O-CB 3.39Å; T127-F157 PolarHBondContact O-N 2.75Å; H148-F157 HydrophobicContact CB-CD1 3.55Å; H148-F157 HydrophobicContact CB-CD2 4.19Å; H148-F157 HydrophobicContact CB-CE1 3.45Å; H148-F157 VanDerWaalsContact CB-CE1 3.45Å; H148-F157 HydrophobicContact CB-CE2 4.07Å; H148-F157 HydrophobicContact CB-CG 3.95Å; H148-F157 HydrophobicContact CB-CZ 3.71Å; S155-F157 VanDerWaalsContact C-N 3.29Å; S155-F157 PolarHBondContact O-N 2.9Å; S155-F157 PolarHBondContact OG-N 2.8Å; F157-A160 PolarHBondContact O-N 3.17Å; F157-H161 HydrophobicContact CE1-CB 4.17Å; F157-H161 VanDerWaalsContact O-CB 3.29Å; F157-H161 WeakPolarHBondContact O-CB 3.45Å; F157-H161 PolarHBondContact O-N 2.96Å; F157-F208 AromaticContact CE2-CE2 3.93Å; F157-F208 HydrophobicContact CE2-CE2 3.93Å; F157-F208 AromaticContact CE2-CZ 3.78Å; F157-F208 HydrophobicContact CE2-CZ 3.78Å; F157-F208 HydrophobicContact CZ-CZ 4.49Å; F157-K210 HydrophobicContact CD2-CG 4.01Å; F157-F213 AromaticContact CD2-CD1 3.58Å; F157-F213 HydrophobicContact CD2-CD1 3.58Å; F157-F213 HydrophobicContact CD2-CE1 4.16Å; F157-F213 HydrophobicContact CD2-CG 4.44Å; F157-F213 AromaticContact CE2-CD1 3.47Å; F157-F213 HydrophobicContact CE2-CD1 3.47Å; F157-F213 VanDerWaalsContact CE2-CD1 3.47Å; F157-F213 AromaticContact CE2-CE1 3.85Å; F157-F213 HydrophobicContact CE2-CE1 3.85Å; F157-F213 HydrophobicContact CE2-CG 4.18Å; F157-F213 HydrophobicContact CG-CD1 4.48Å; F157-F213 HydrophobicContact CZ-CD1 4.3Å; F157-F213 HydrophobicContact CZ-CE1 4.23Å; F157-A214 HydrophobicContact CB-CB 4.02Å
158W98.8Very high97Very high47 Ų4738.2 Ų38.218%0.17819%0.185CC..Hα-helixtrans-68-38.7-177.6-175.795000112.5D152 E153 S155 H161 L162 E237 A238 V241D152-W158 WeakPolarHBondContact O-CB 3.35Å; E153-W158 HydrophobicContact CB-CG 4.42Å; S155-W158 PolarHBondContact O-N 3.32Å; S155-W158 VanDerWaalsContact O-N 3.16Å; S155-W158 PolarHBondContact OG-N 3.04Å; S155-W158 VanDerWaalsContact OG-N 3.11Å; W158-H161 PolarHBondContact O-N 2.98Å; W158-L162 HydrophobicContact CE3-CD2 4.43Å; W158-L162 HydrophobicContact CH2-CD2 3.52Å; W158-L162 HydrophobicContact CZ2-CD2 4.2Å; W158-L162 HydrophobicContact CZ3-CD2 3.63Å; W158-L162 VanDerWaalsContact O-CB 3.3Å; W158-L162 WeakPolarHBondContact O-CB 3.41Å; W158-L162 PolarHBondContact O-N 2.83Å; W158-E237 HydrophobicContact CH2-CB 3.99Å; W158-E237 HydrophobicContact CZ3-CB 4.28Å; W158-A238 HydrophobicContact CE3-CB 4.42Å; W158-A238 HydrophobicContact CZ3-CB 4.1Å; W158-V241 HydrophobicContact CH2-CG1 4.28Å; W158-V241 HydrophobicContact CH2-CG2 4.15Å; W158-V241 HydrophobicContact CZ2-CG1 4.27Å; W158-V241 HydrophobicContact CZ2-CG2 4.45Å; W158-V241 HydrophobicContact CZ3-CG2 4.22Å
159I98.9Very high97.6Very high0 Ų036.6 Ų36.60%018%0.179CC..Hα-helixtrans-60.3-48.4174-69.4162.8000110.5S155 L162 A163 C217 L220 V234 F235 A238 V272S155-I159 VanDerWaalsContact O-CG1 3.28Å; S155-I159 WeakPolarHBondContact O-CG1 3.26Å; S155-I159 PolarHBondContact O-N 3.34Å; I159-L162 PolarHBondContact O-N 3.24Å; I159-A163 PolarHBondContact O-N 3.4Å; I159-A163 VanDerWaalsContact O-N 3.11Å; I159-C217 HydrophobicContact CG2-CB 4.5Å; I159-L220 HydrophobicContact CG2-CB 4.49Å; I159-L220 HydrophobicContact CG2-CD1 3.82Å; I159-V234 HydrophobicContact CG2-CG2 4.23Å; I159-F235 HydrophobicContact CD1-CD1 4.27Å; I159-F235 HydrophobicContact CD1-CE1 3.99Å; I159-F235 HydrophobicContact CD1-CZ 4.34Å; I159-F235 HydrophobicContact CG2-CD2 4.44Å; I159-F235 HydrophobicContact CG2-CE2 4.05Å; I159-F235 HydrophobicContact CG2-CZ 4.27Å; I159-A238 HydrophobicContact CD1-CB 3.74Å; I159-A238 HydrophobicContact CG1-CB 3.61Å; I159-V272 HydrophobicContact CD1-CG1 3.71Å
160A98.8Very high97.8Very high0 Ų030 Ų300%015%0.149CC..Hα-helixtrans-61.3-46.7176.300000111.7G156 F157 A163 L164 F213 F216G156-A160 WeakPolarHBondContact O-CB 3.15Å; G156-A160 PolarHBondContact O-N 2.91Å; G156-A160 VanDerWaalsContact O-N 3.09Å; F157-A160 PolarHBondContact O-N 3.17Å; A160-A163 PolarHBondContact O-N 2.8Å; A160-L164 WeakPolarHBondContact O-CB 3.24Å; A160-L164 VanDerWaalsContact O-CG 3.25Å; A160-L164 WeakPolarHBondContact O-CG 3.28Å; A160-L164 PolarHBondContact O-N 3.08Å; A160-F213 HydrophobicContact CB-CD1 4.18Å; A160-F213 HydrophobicContact CB-CE1 3.97Å; A160-F216 HydrophobicContact CB-CB 4.01Å; A160-F216 HydrophobicContact CB-CD1 4.08Å
161H98.8Very high98Very high86 Ų8629 Ų2940%0.39814%0.14SC..Hα-helixtrans-61.1-46.4179178.6-87.4000111.6F157 W158 L164 K165 F213F157-H161 HydrophobicContact CE1-CB 4.17Å; F157-H161 VanDerWaalsContact O-CB 3.29Å; F157-H161 WeakPolarHBondContact O-CB 3.45Å; F157-H161 PolarHBondContact O-N 2.96Å; W158-H161 PolarHBondContact O-N 2.98Å; H161-L164 PolarHBondContact O-N 3.19Å; H161-K165 WeakPolarHBondContact O-CB 3.38Å; H161-K165 PolarHBondContact O-N 2.61Å; H161-F213 HydrophobicContact CB-CE1 4Å; H161-F213 HydrophobicContact CB-CZ 4.42Å
162L98.8Very high98.3Very high42 Ų4233.8 Ų33.822%0.2216%0.162CC..Hα-helixtrans-59.6-50179177.861.3000110.9W158 I159 L164 K165 T166 V234 E237W158-L162 HydrophobicContact CE3-CD2 4.43Å; W158-L162 HydrophobicContact CH2-CD2 3.52Å; W158-L162 HydrophobicContact CZ2-CD2 4.2Å; W158-L162 HydrophobicContact CZ3-CD2 3.63Å; W158-L162 VanDerWaalsContact O-CB 3.3Å; W158-L162 WeakPolarHBondContact O-CB 3.41Å; W158-L162 PolarHBondContact O-N 2.83Å; I159-L162 PolarHBondContact O-N 3.24Å; L162-L164 PolarHBondContact O-N 2.95Å; L162-K165 PolarHBondContact O-N 3.31Å; L162-T166 PolarHBondContact O-N 2.86Å; L162-T166 PolarHBondContact O-OG1 3.16Å; L162-V234 HydrophobicContact CD2-CB 4.1Å; L162-V234 HydrophobicContact CD2-CG1 3.84Å; L162-V234 HydrophobicContact CG-CG1 3.92Å; L162-E237 HydrophobicContact CD2-CB 4.12Å
163A98.8Very high98.4Very high0 Ų040.6 Ų40.60%020%0.199CC..Hα-helixtrans-60.7-45.7-179.900000112.3I159 A160 T166 V167 V184 L220 V234I159-A163 PolarHBondContact O-N 3.4Å; I159-A163 VanDerWaalsContact O-N 3.11Å; A160-A163 PolarHBondContact O-N 2.8Å; A163-T166 PolarHBondContact O-N 3.26Å; A163-V167 PolarHBondContact O-N 3.32Å; A163-V184 HydrophobicContact CB-CG1 4.06Å; A163-L220 HydrophobicContact CB-CD1 3.5Å; A163-L220 VanDerWaalsContact CB-CD1 3.5Å; A163-L220 HydrophobicContact CB-CD2 3.76Å; A163-L220 HydrophobicContact CB-CG 4.3Å; A163-V234 HydrophobicContact CB-CG1 4.26Å
164L98.7Very high98.4Very high6 Ų643.2 Ų43.23%0.03122%0.215CC..Hα-helixtrans-66.4-43.1177.7-67.4170.9000111.3A160 H161 L162 T166 V167 F168 M188 F192 M200 F213 F216A160-L164 WeakPolarHBondContact O-CB 3.24Å; A160-L164 VanDerWaalsContact O-CG 3.25Å; A160-L164 WeakPolarHBondContact O-CG 3.28Å; A160-L164 PolarHBondContact O-N 3.08Å; H161-L164 PolarHBondContact O-N 3.19Å; L162-L164 PolarHBondContact O-N 2.95Å; L164-T166 VanDerWaalsContact C-N 3.28Å; L164-T166 PolarHBondContact O-N 3.47Å; L164-V167 WeakPolarHBondContact O-CB 3.37Å; L164-V167 PolarHBondContact O-N 3.34Å; L164-F168 VanDerWaalsContact O-CD2 3.27Å; L164-F168 WeakPolarHBondContact O-CD2 3.35Å; L164-F168 PolarHBondContact O-N 2.91Å; L164-M188 HydrophobicContact CD2-CB 3.77Å; L164-M188 HydrophobicContact CD2-CG 3.43Å; L164-M188 VanDerWaalsContact CD2-CG 3.43Å; L164-M188 HydrophobicContact CD2-SD 3.58Å; L164-M188 VanDerWaalsContact CD2-SD 3.58Å; L164-F192 HydrophobicContact CD1-CE2 3.89Å; L164-F192 HydrophobicContact CD1-CZ 4Å; L164-F192 HydrophobicContact CD2-CE2 4.27Å; L164-M200 HydrophobicContact CD1-CE 3.98Å; L164-M200 HydrophobicContact CD2-CE 4.31Å; L164-F213 HydrophobicContact CD1-CE1 4.28Å; L164-F213 HydrophobicContact CD1-CE2 3.56Å; L164-F213 HydrophobicContact CD1-CZ 3.42Å; L164-F213 VanDerWaalsContact CD1-CZ 3.42Å; L164-F216 HydrophobicContact CD1-CD1 4.13Å; L164-F216 HydrophobicContact CD1-CE1 4.46Å; L164-F216 HydrophobicContact CD2-CD1 4.2Å; L164-F216 HydrophobicContact CD2-CE1 3.72Å; L164-F216 HydrophobicContact CD2-CZ 4.32Å; L164-F216 HydrophobicContact CG-CD1 4.04Å; L164-F216 HydrophobicContact CG-CE1 3.9Å
165K98.7Very high98.4Very high88 Ų8845.5 Ų45.538%0.38323%0.233SC..Hα-helixtrans-59-40.7176.8-178.854.5174.3160.30111.3H161 L162 V167 F168 D169H161-K165 WeakPolarHBondContact O-CB 3.38Å; H161-K165 PolarHBondContact O-N 2.61Å; L162-K165 PolarHBondContact O-N 3.31Å; K165-V167 VanDerWaalsContact C-N 3.32Å; K165-V167 PolarHBondContact O-N 3.25Å; K165-F168 PolarHBondContact O-N 3.47Å; K165-D169 WeakPolarHBondContact CE-OD1 3.37Å; K165-D169 WeakPolarHBondContact CE-OD2 3.48Å; K165-D169 IonicContact NZ-OD1 2.59Å; K165-D169 PolarHBondContact NZ-OD1 2.91Å; K165-D169 IonicContact NZ-OD2 3.64Å; K165-D169 WeakPolarHBondContact O-CB 3.49Å; K165-D169 VanDerWaalsContact O-CG 3.28Å; K165-D169 PolarHBondContact O-N 3.24Å
166T98.8Very high98.4Very high20 Ų2050 Ų5012%0.12327%0.271CS..Hα-helixtrans-59.5-40.5173.5-56.20000112.5L162 A163 L164 A170 P177 L181 L230L162-T166 PolarHBondContact O-N 2.86Å; L162-T166 PolarHBondContact O-OG1 3.16Å; A163-T166 PolarHBondContact O-N 3.26Å; L164-T166 VanDerWaalsContact C-N 3.28Å; L164-T166 PolarHBondContact O-N 3.47Å; T166-A170 WeakPolarHBondContact O-CB 3.32Å; T166-A170 PolarHBondContact O-N 3.07Å; T166-A170 VanDerWaalsContact O-N 3.13Å; T166-P177 HydrophobicContact CG2-CB 3.88Å; T166-L181 HydrophobicContact CG2-CD2 4.09Å; T166-L230 HydrophobicContact CG2-CD1 4.16Å
167V98.6Very high98.4Very high0 Ų052.1 Ų52.10%028%0.284CS..Hα-helixtrans-65.2-43.8175.8175.70000111.5A163 L164 K165 K171 L181 V184 L197A163-V167 PolarHBondContact O-N 3.32Å; L164-V167 WeakPolarHBondContact O-CB 3.37Å; L164-V167 PolarHBondContact O-N 3.34Å; K165-V167 VanDerWaalsContact C-N 3.32Å; K165-V167 PolarHBondContact O-N 3.25Å; V167-K171 WeakPolarHBondContact O-CB 3.44Å; V167-K171 PolarHBondContact O-N 2.92Å; V167-K171 VanDerWaalsContact O-N 3.11Å; V167-L181 HydrophobicContact CG2-CD2 4.32Å; V167-V184 HydrophobicContact CG2-CB 4.31Å; V167-V184 HydrophobicContact CG2-CG1 3.74Å; V167-L197 HydrophobicContact CG1-CD2 4.03Å
168F98.6Very high98.4Very high41 Ų4154.3 Ų54.318%0.1830%0.3CS..Hα-helixtrans-62.7-50.2177.6-86.5-112.5000111.5L164 K165 A170 K171 D172 L197 M200 L204L164-F168 VanDerWaalsContact O-CD2 3.27Å; L164-F168 WeakPolarHBondContact O-CD2 3.35Å; L164-F168 PolarHBondContact O-N 2.91Å; K165-F168 PolarHBondContact O-N 3.47Å; F168-A170 VanDerWaalsContact C-N 3.31Å; F168-A170 PolarHBondContact O-N 3.16Å; F168-K171 PolarHBondContact O-N 3.24Å; F168-K171 VanDerWaalsContact O-N 3.1Å; F168-D172 PolarHBondContact O-N 2.91Å; F168-L197 HydrophobicContact CD1-CD1 4.09Å; F168-L197 HydrophobicContact CD2-CD1 4.26Å; F168-L197 HydrophobicContact CD2-CD2 3.91Å; F168-L197 HydrophobicContact CE1-CB 4Å; F168-L197 HydrophobicContact CE1-CD1 4.37Å; F168-L197 HydrophobicContact CE2-CB 4.38Å; F168-L197 HydrophobicContact CE2-CD2 3.72Å; F168-L197 HydrophobicContact CE2-CG 4.44Å; F168-L197 HydrophobicContact CG-CD1 4.04Å; F168-L197 HydrophobicContact CZ-CB 3.92Å; F168-L197 HydrophobicContact CZ-CD2 4.14Å; F168-L197 HydrophobicContact CZ-CG 4.44Å; F168-M200 HydrophobicContact CE2-CB 4.37Å; F168-M200 HydrophobicContact CE2-CG 4.19Å; F168-M200 HydrophobicContact CZ-CB 3.84Å; F168-M200 HydrophobicContact CZ-CG 4.1Å; F168-L204 HydrophobicContact CZ-CD1 4.47Å
169D98.8Very high98.4Very high27 Ų2755.7 Ų55.714%0.14431%0.308CS..Hα-helixtrans-61.8-40.2-177.4-71.8-13.5000112.3K165 D172 N173 L174 A175K165-D169 WeakPolarHBondContact CE-OD1 3.37Å; K165-D169 WeakPolarHBondContact CE-OD2 3.48Å; K165-D169 IonicContact NZ-OD1 2.59Å; K165-D169 PolarHBondContact NZ-OD1 2.91Å; K165-D169 IonicContact NZ-OD2 3.64Å; K165-D169 WeakPolarHBondContact O-CB 3.49Å; K165-D169 VanDerWaalsContact O-CG 3.28Å; K165-D169 PolarHBondContact O-N 3.24Å; D169-D172 PolarHBondContact O-N 3.39Å; D169-N173 PolarHBondContact O-N 2.79Å; D169-L174 HydrophobicContact CB-CB 4.35Å; D169-L174 PolarHBondContact O-N 3.45Å; D169-A175 HydrophobicContact CB-CB 4.13Å; D169-A175 PolarHBondContact O-N 2.8Å
170A98.3Very high98.3Very high16 Ų1661.1 Ų61.113%0.13234%0.337CS..Hα-helixtrans-68.7-35.8176.600000112.6T166 F168 D172 N173 A175 P177 L181T166-A170 WeakPolarHBondContact O-CB 3.32Å; T166-A170 PolarHBondContact O-N 3.07Å; T166-A170 VanDerWaalsContact O-N 3.13Å; F168-A170 VanDerWaalsContact C-N 3.31Å; F168-A170 PolarHBondContact O-N 3.16Å; A170-D172 VanDerWaalsContact C-N 3.32Å; A170-N173 PolarHBondContact O-N 3.34Å; A170-A175 WeakPolarHBondContact CA-O 3.28Å; A170-P177 HydrophobicContact CB-CB 4.22Å; A170-P177 HydrophobicContact CB-CG 4.06Å; A170-L181 HydrophobicContact CB-CD1 3.41Å; A170-L181 VanDerWaalsContact CB-CD1 3.41Å
171K97Very high98.3Very high125 Ų12562.1 Ų62.154%0.54334%0.342SS..Hα-helixtrans-67.2-35.5176.5-179.458.9174.41770111.9V167 F168 N173 L197V167-K171 WeakPolarHBondContact O-CB 3.44Å; V167-K171 PolarHBondContact O-N 2.92Å; V167-K171 VanDerWaalsContact O-N 3.11Å; F168-K171 PolarHBondContact O-N 3.24Å; F168-K171 VanDerWaalsContact O-N 3.1Å; K171-N173 VanDerWaalsContact C-N 3.28Å; K171-L197 HydrophobicContact CB-CD1 3.57Å; K171-L197 HydrophobicContact CG-CD1 3.52Å; K171-L197 HydrophobicContact CG-CG 4.43Å
172D98.3Very high98.3Very high114 Ų11460.8 Ų60.861%0.6135%0.346SS*.THydrogen-bonded Turntrans-83.90.1178.2-72.2-14.5000113.2F168 D169 A170 L174F168-D172 PolarHBondContact O-N 2.91Å; D169-D172 PolarHBondContact O-N 3.39Å; A170-D172 VanDerWaalsContact C-N 3.32Å; D172-L174 HydrophobicContact CB-CB 4.42Å; D172-L174 PolarHBondContact O-N 3.22Å
173N97.9Very high98.3Very high151 Ų15162.1 Ų62.181%0.80735%0.351SS*.THydrogen-bonded Turntrans5425-169.9-64.7-37.1000113.5D169 A170 K171D169-N173 PolarHBondContact O-N 2.79Å; A170-N173 PolarHBondContact O-N 3.34Å; K171-N173 VanDerWaalsContact C-N 3.28Å
174L98.4Very high98.3Very high124 Ų12462.1 Ų62.165%0.64935%0.351SS*.SBendtrans-75.4-39.8178.6-178.961.4000111.2D169 D172D169-L174 HydrophobicContact CB-CB 4.35Å; D169-L174 PolarHBondContact O-N 3.45Å; D172-L174 HydrophobicContact CB-CB 4.42Å; D172-L174 PolarHBondContact O-N 3.22Å
175A98.3Very high98.2Very high48 Ų4865.6 Ų65.640%0.39736%0.364SS..SBendtrans-146.9140.1175.100000110.7D169 A170D169-A175 HydrophobicContact CB-CB 4.13Å; D169-A175 PolarHBondContact O-N 2.8Å; A170-A175 WeakPolarHBondContact CA-O 3.28Å
176A97.9Very high98.2Very high95 Ų9567.3 Ų67.379%0.78537%0.371SS*.  trans-69.7136.4172.800000110
177P97.8Very high98.2Very high48 Ų4866.9 Ų66.931%0.31237%0.37SS..  trans-72.4148.1177.933.8-36.6000110.3T166 A170 H179 L181T166-P177 HydrophobicContact CG2-CB 3.88Å; A170-P177 HydrophobicContact CB-CB 4.22Å; A170-P177 HydrophobicContact CB-CG 4.06Å; P177-H179 WeakPolarHBondContact CB-O 3.39Å; P177-H179 PolarHBondContact O-N 2.85Å; P177-L181 HydrophobicContact CB-CD1 4.25Å; P177-L181 HydrophobicContact CB-CD2 3.51Å; P177-L181 HydrophobicContact CB-CG 3.96Å; P177-L181 HydrophobicContact CG-CD1 4.04Å; P177-L181 HydrophobicContact CG-CD2 4.11Å; P177-L181 HydrophobicContact CG-CG 3.97Å
178P97.2Very high98.2Very high63 Ų6366.9 Ų66.941%0.40937%0.37SS..SBendtrans-69.4-22.417928.4-34.1000112.7L230P178-L230 HydrophobicContact CG-CD1 3.93Å
179H98.5Very high98.2Very high76 Ų7668.1 Ų68.135%0.35238%0.376SS..SBendtrans-147.6176.1-177.5-61.2-66.5000110.8P177 A229 L230 H233P177-H179 WeakPolarHBondContact CB-O 3.39Å; P177-H179 PolarHBondContact O-N 2.85Å; H179-A229 HydrophobicContact CB-CB 4.02Å; H179-A229 PolarHBondContact CD2-O 3.49Å; H179-L230 HydrophobicContact CB-CB 3.97Å; H179-H233 AromaticContact CD2-CG 3.92Å; H179-H233 AromaticContact NE2-CG 3.98Å; H179-H233 AromaticContact NE2-ND1 3.87Å
180D98.3Very high98.2Very high113 Ų11373 Ų7360%0.60440%0.398SS*.  trans-59.2147175.7-174.8-101.1000112.3A182D180-A182 WeakPolarHBondContact OD1-CB 3.43Å; D180-A182 PolarHBondContact OD1-N 3.01Å
181L98.4Very high98.2Very high21 Ų2174.6 Ų74.611%0.1140%0.401CS..  trans-103.4-7.6-173.5-61.3177.7000113.8T166 V167 A170 P177 H183 V184 R185 L230T166-L181 HydrophobicContact CG2-CD2 4.09Å; V167-L181 HydrophobicContact CG2-CD2 4.32Å; A170-L181 HydrophobicContact CB-CD1 3.41Å; A170-L181 VanDerWaalsContact CB-CD1 3.41Å; P177-L181 HydrophobicContact CB-CD1 4.25Å; P177-L181 HydrophobicContact CB-CD2 3.51Å; P177-L181 HydrophobicContact CB-CG 3.96Å; P177-L181 HydrophobicContact CG-CD1 4.04Å; P177-L181 HydrophobicContact CG-CD2 4.11Å; P177-L181 HydrophobicContact CG-CG 3.97Å; L181-H183 VanDerWaalsContact C-N 3.34Å; L181-H183 PolarHBondContact O-N 3.36Å; L181-V184 PolarHBondContact O-N 3.49Å; L181-R185 VanDerWaalsContact O-CB 3.24Å; L181-R185 WeakPolarHBondContact O-CB 3.37Å; L181-R185 PolarHBondContact O-N 3.45Å; L181-L230 HydrophobicContact CD2-CD2 3.57Å
182A98.1Very high98.3Very high58 Ų5868.9 Ų68.948%0.47938%0.376SS..Hα-helixtrans-61.6-43.3-165.500000111.8D180 K186D180-A182 WeakPolarHBondContact OD1-CB 3.43Å; D180-A182 PolarHBondContact OD1-N 3.01Å; A182-K186 WeakPolarHBondContact O-CB 3.42Å; A182-K186 PolarHBondContact O-N 3.18Å
183H98.4Very high98.3Very high71 Ų7172 Ų7233%0.32939%0.387SS..Hα-helixtrans-64.2-54.4179.3-172.594.2000111.8L181 R185 K186 A187 G223 D228L181-H183 VanDerWaalsContact C-N 3.34Å; L181-H183 PolarHBondContact O-N 3.36Å; H183-R185 VanDerWaalsContact C-N 3.32Å; H183-R185 PolarHBondContact O-N 2.97Å; H183-K186 PolarHBondContact O-N 3.07Å; H183-A187 WeakPolarHBondContact O-CB 3.38Å; H183-A187 PolarHBondContact O-N 2.93Å; H183-G223 VanDerWaalsContact NE2-CA 3.27Å; H183-G223 WeakPolarHBondContact NE2-CA 3.2Å; H183-D228 HydrophobicContact CB-CB 4.31Å; H183-D228 WeakPolarHBondContact CB-OD2 3.5Å; H183-D228 IonicContact CG-OD2 3.86Å
184V98.6Very high98.3Very high0 Ų065.6 Ų65.60%035%0.353CS..Hα-helixtrans-62.6-39.1-178.1176.20000111.5A163 V167 L181 A187 M188 F216 L220 L230A163-V184 HydrophobicContact CB-CG1 4.06Å; V167-V184 HydrophobicContact CG2-CB 4.31Å; V167-V184 HydrophobicContact CG2-CG1 3.74Å; L181-V184 PolarHBondContact O-N 3.49Å; V184-A187 PolarHBondContact O-N 3.13Å; V184-M188 WeakPolarHBondContact O-CB 3.44Å; V184-M188 PolarHBondContact O-N 2.81Å; V184-F216 HydrophobicContact CG1-CE1 4.48Å; V184-F216 HydrophobicContact CG1-CZ 4.45Å; V184-L220 HydrophobicContact CG1-CD2 4.11Å; V184-L220 HydrophobicContact CG2-CD2 3.86Å; V184-L230 HydrophobicContact CB-CD2 4Å; V184-L230 HydrophobicContact CG2-CB 4.23Å; V184-L230 HydrophobicContact CG2-CD2 3.6Å; V184-L230 HydrophobicContact CG2-CG 3.93Å
185R98.4Very high98.1Very high79 Ų7964.5 Ų64.530%0.29836%0.357SS..Hα-helixtrans-61.9-49.6175.5-178.9-172.4-59.3-116.1-4.5111.5L181 H183 A187 M188 E189L181-R185 VanDerWaalsContact O-CB 3.24Å; L181-R185 WeakPolarHBondContact O-CB 3.37Å; L181-R185 PolarHBondContact O-N 3.45Å; H183-R185 VanDerWaalsContact C-N 3.32Å; H183-R185 PolarHBondContact O-N 2.97Å; R185-A187 VanDerWaalsContact C-N 3.35Å; R185-A187 PolarHBondContact O-N 3.19Å; R185-M188 HydrophobicContact CG-CE 4.47Å; R185-M188 WeakPolarHBondContact O-CB 3.39Å; R185-M188 PolarHBondContact O-N 3.36Å; R185-E189 WeakPolarHBondContact CG-OE1 3.25Å; R185-E189 WeakPolarHBondContact O-CG 3.39Å; R185-E189 PolarHBondContact O-N 3.42Å
186K98.4Very high97.9Very high123 Ų12366 Ų6654%0.53536%0.358SS..Hα-helixtrans-60.8-45.5178.4-179.6178.2172.2-177.60111.2A182 H183 M188 E189 E190A182-K186 WeakPolarHBondContact O-CB 3.42Å; A182-K186 PolarHBondContact O-N 3.18Å; H183-K186 PolarHBondContact O-N 3.07Å; K186-M188 VanDerWaalsContact C-N 3.3Å; K186-M188 PolarHBondContact O-N 3.21Å; K186-E189 PolarHBondContact O-N 2.98Å; K186-E190 WeakPolarHBondContact CE-OE1 3.34Å; K186-E190 IonicContact NZ-OE1 2.75Å; K186-E190 WeakPolarHBondContact O-CG 3.47Å; K186-E190 PolarHBondContact O-N 3.49Å
187A98.6Very high97.8Very high11 Ų1162.7 Ų62.79%0.09133%0.327CS..Hα-helixtrans-61.2-39177.200000112H183 V184 R185 Y191 F216 K219H183-A187 WeakPolarHBondContact O-CB 3.38Å; H183-A187 PolarHBondContact O-N 2.93Å; V184-A187 PolarHBondContact O-N 3.13Å; R185-A187 VanDerWaalsContact C-N 3.35Å; R185-A187 PolarHBondContact O-N 3.19Å; A187-Y191 WeakPolarHBondContact O-CB 3.31Å; A187-Y191 PolarHBondContact O-N 3.18Å; A187-F216 HydrophobicContact CB-CE2 3.87Å; A187-F216 HydrophobicContact CB-CZ 4.09Å; A187-F216 WeakPolarHBondContact O-CE2 3.38Å; A187-K219 HydrophobicContact CB-CB 4.45Å
188M98.6Very high97.7Very high1 Ų167.1 Ų67.11%0.00535%0.345CS..Hα-helixtrans-62.1-50.6175172.3-165.176.600111.1L164 V184 R185 K186 E190 Y191 F192 L197 M200 F216L164-M188 HydrophobicContact CD2-CB 3.77Å; L164-M188 HydrophobicContact CD2-CG 3.43Å; L164-M188 VanDerWaalsContact CD2-CG 3.43Å; L164-M188 HydrophobicContact CD2-SD 3.58Å; L164-M188 VanDerWaalsContact CD2-SD 3.58Å; V184-M188 WeakPolarHBondContact O-CB 3.44Å; V184-M188 PolarHBondContact O-N 2.81Å; R185-M188 HydrophobicContact CG-CE 4.47Å; R185-M188 WeakPolarHBondContact O-CB 3.39Å; R185-M188 PolarHBondContact O-N 3.36Å; K186-M188 VanDerWaalsContact C-N 3.3Å; K186-M188 PolarHBondContact O-N 3.21Å; M188-E190 VanDerWaalsContact C-N 3.33Å; M188-E190 PolarHBondContact O-N 3.36Å; M188-Y191 PolarHBondContact O-N 3.01Å; M188-F192 HydrophobicContact CG-CD2 3.95Å; M188-F192 HydrophobicContact CG-CE2 4.49Å; M188-F192 WeakPolarHBondContact O-CB 3.39Å; M188-F192 WeakPolarHBondContact O-CD2 3.39Å; M188-F192 PolarHBondContact O-N 2.82Å; M188-L197 HydrophobicContact CE-CD2 3.81Å; M188-L197 HydrophobicContact SD-CD2 4.17Å; M188-M200 HydrophobicContact CG-CE 4.35Å; M188-M200 HydrophobicContact CG-CG 4.46Å; M188-M200 HydrophobicContact CG-SD 3.79Å; M188-M200 HydrophobicContact SD-CG 4.04Å; M188-M200 HydrophobicContact SD-SD 4.14Å; M188-F216 HydrophobicContact CB-CE2 4.49Å; M188-F216 HydrophobicContact CB-CZ 4.07Å
189E98.5Very high97.7Very high67 Ų6765.3 Ų65.331%0.31334%0.337SS..Hα-helixtrans-57.4-45.6179.2-71.4169.3-170.500111.3R185 K186 Q193 V194R185-E189 WeakPolarHBondContact CG-OE1 3.25Å; R185-E189 WeakPolarHBondContact O-CG 3.39Å; R185-E189 PolarHBondContact O-N 3.42Å; K186-E189 PolarHBondContact O-N 2.98Å; E189-Q193 WeakPolarHBondContact O-CA 3.4Å; E189-Q193 PolarHBondContact O-N 3.19Å; E189-V194 VanDerWaalsContact CA-O 3.31Å; E189-V194 WeakPolarHBondContact CA-O 2.84Å; E189-V194 VanDerWaalsContact CB-O 3.28Å; E189-V194 WeakPolarHBondContact CB-O 3.38Å; E189-V194 WeakPolarHBondContact CG-O 3.39Å; E189-V194 PolarHBondContact O-N 2.91Å; E189-V194 VanDerWaalsContact O-N 3.08Å
190E98.5Very high97.7Very high128 Ų12861.7 Ų61.760%0.59832%0.321SS*.Hα-helixtrans-68.1-45.1178.9-70.8174.917600112.9K186 M188K186-E190 WeakPolarHBondContact CE-OE1 3.34Å; K186-E190 IonicContact NZ-OE1 2.75Å; K186-E190 WeakPolarHBondContact O-CG 3.47Å; K186-E190 PolarHBondContact O-N 3.49Å; M188-E190 VanDerWaalsContact C-N 3.33Å; M188-E190 PolarHBondContact O-N 3.36Å
191Y98.6Very high97.6Very high51 Ų5159.6 Ų59.620%0.231%0.309CS..Hα-helixtrans-71.5-46-175.4-177.4-92.8000112.4A187 M188 Q193 F212 G215 F216 K219A187-Y191 WeakPolarHBondContact O-CB 3.31Å; A187-Y191 PolarHBondContact O-N 3.18Å; M188-Y191 PolarHBondContact O-N 3.01Å; Y191-Q193 VanDerWaalsContact C-N 3.34Å; Y191-F212 HydrophobicContact CD1-CZ 4.23Å; Y191-F212 HydrophobicContact CE1-CD1 4.48Å; Y191-F212 HydrophobicContact CE1-CD2 4.36Å; Y191-F212 HydrophobicContact CE1-CE1 4.06Å; Y191-F212 AromaticContact CE1-CE2 3.92Å; Y191-F212 HydrophobicContact CE1-CE2 3.92Å; Y191-F212 AromaticContact CE1-CZ 3.75Å; Y191-F212 HydrophobicContact CE1-CZ 3.75Å; Y191-F212 WeakPolarHBondContact CE1-O 3.23Å; Y191-F212 AromaticContact CZ-CE2 3.93Å; Y191-F212 PolarHBondContact OH-O 3.15Å; Y191-G215 VanDerWaalsContact OH-C 3.32Å; Y191-G215 WeakPolarHBondContact OH-CA 3.35Å; Y191-F216 HydrophobicContact CD1-CB 4.02Å; Y191-F216 AromaticContact CD1-CD2 3.86Å; Y191-F216 HydrophobicContact CD1-CD2 3.86Å; Y191-F216 HydrophobicContact CD1-CG 4.34Å; Y191-F216 HydrophobicContact CD2-CD2 4.37Å; Y191-F216 HydrophobicContact CE1-CB 3.94Å; Y191-F216 AromaticContact CG-CD2 3.74Å; Y191-F216 HydrophobicContact CG-CD2 3.74Å; Y191-F216 PolarHBondContact OH-N 3.04Å; Y191-K219 HydrophobicContact CD2-CG 3.86Å
192F98.4Very high97.6Very high4 Ų460.8 Ų60.82%0.01832%0.318CS..Hα-helixtrans-85.9-8.9-179.2-66.7-81.5000112.6L164 M188 V194 M200 H203 F212 F213 F216L164-F192 HydrophobicContact CD1-CE2 3.89Å; L164-F192 HydrophobicContact CD1-CZ 4Å; L164-F192 HydrophobicContact CD2-CE2 4.27Å; M188-F192 HydrophobicContact CG-CD2 3.95Å; M188-F192 HydrophobicContact CG-CE2 4.49Å; M188-F192 WeakPolarHBondContact O-CB 3.39Å; M188-F192 WeakPolarHBondContact O-CD2 3.39Å; M188-F192 PolarHBondContact O-N 2.82Å; F192-V194 HydrophobicContact CB-CG1 3.99Å; F192-V194 HydrophobicContact CB-CG2 4.1Å; F192-M200 HydrophobicContact CB-CE 4.48Å; F192-M200 HydrophobicContact CB-SD 3.65Å; F192-M200 HydrophobicContact CD1-CE 3.91Å; F192-M200 HydrophobicContact CD1-SD 4.17Å; F192-M200 HydrophobicContact CD2-CE 3.65Å; F192-M200 HydrophobicContact CD2-SD 3.69Å; F192-M200 HydrophobicContact CE1-CE 4.01Å; F192-M200 HydrophobicContact CE2-CE 3.76Å; F192-M200 HydrophobicContact CE2-SD 4.41Å; F192-M200 HydrophobicContact CG-CE 3.74Å; F192-M200 HydrophobicContact CG-SD 3.56Å; F192-M200 VanDerWaalsContact CG-SD 3.56Å; F192-M200 HydrophobicContact CZ-CE 3.94Å; F192-H203 HydrophobicContact CD1-CB 4.09Å; F192-H203 AromaticContact CD1-CG 3.85Å; F192-H203 AromaticContact CD1-ND1 3.99Å; F192-H203 HydrophobicContact CE1-CB 4.43Å; F192-H203 PolarHBondContact O-NE2 3.04Å; F192-F212 AromaticContact CD1-CE1 3.76Å; F192-F212 HydrophobicContact CD1-CE1 3.76Å; F192-F212 HydrophobicContact CD1-CZ 4.47Å; F192-F212 HydrophobicContact CE1-CD1 4.35Å; F192-F212 AromaticContact CE1-CE1 3.94Å; F192-F212 HydrophobicContact CE1-CE1 3.94Å; F192-F213 HydrophobicContact CE1-CD2 4.05Å; F192-F213 HydrophobicContact CZ-CD2 4.04Å; F192-F213 HydrophobicContact CZ-CE2 4.31Å; F192-F216 HydrophobicContact CE2-CB 4.06Å; F192-F216 HydrophobicContact CE2-CD1 4.19Å; F192-F216 AromaticContact CE2-CD2 3.97Å; F192-F216 HydrophobicContact CE2-CD2 3.97Å; F192-F216 AromaticContact CE2-CG 3.8Å; F192-F216 HydrophobicContact CE2-CG 3.8Å; F192-F216 HydrophobicContact CZ-CB 4.02Å; F192-F216 HydrophobicContact CZ-CG 4.27Å
193Q98.4Very high97.6Very high179 Ų17960.1 Ų60.184%0.83631%0.305SS*.THydrogen-bonded Turntrans58.148.9-176.1-55.7179.629.100111.9E189 Y191E189-Q193 WeakPolarHBondContact O-CA 3.4Å; E189-Q193 PolarHBondContact O-N 3.19Å; Y191-Q193 VanDerWaalsContact C-N 3.34Å
194V97.9Very high97.5Very high17 Ų1759.4 Ų59.410%0.10330%0.303CS..  trans-122.1151.5-178-59.80000110E189 F192 G199 M200E189-V194 VanDerWaalsContact CA-O 3.31Å; E189-V194 WeakPolarHBondContact CA-O 2.84Å; E189-V194 VanDerWaalsContact CB-O 3.28Å; E189-V194 WeakPolarHBondContact CB-O 3.38Å; E189-V194 WeakPolarHBondContact CG-O 3.39Å; E189-V194 PolarHBondContact O-N 2.91Å; E189-V194 VanDerWaalsContact O-N 3.08Å; F192-V194 HydrophobicContact CB-CG1 3.99Å; F192-V194 HydrophobicContact CB-CG2 4.1Å; V194-G199 VanDerWaalsContact CG1-C 3.42Å; V194-G199 WeakPolarHBondContact CG1-O 3.22Å; V194-M200 HydrophobicContact CG1-SD 4.34Å; V194-M200 HydrophobicContact CG2-CG 4.2Å; V194-M200 HydrophobicContact CG2-SD 3.82Å
195S94.5Very high97.4Very high102 Ų10267.9 Ų67.971%0.71334%0.337SS*.SBendtrans-98.4-12.9177.953.40000113.9
196D93.4Very high97.2Very high79 Ų7974 Ų7442%0.42236%0.36SS..SBendtrans-161-178.6-177.561.539.9000111.8M198 G199D196-M198 VanDerWaalsContact C-N 3.33Å; D196-M198 PolarHBondContact O-N 3.02Å; D196-M198 WeakPolarHBondContact OD1-CA 3.42Å; D196-M198 WeakPolarHBondContact OD1-CB 3.23Å; D196-M198 PolarHBondContact OD1-N 2.71Å; D196-G199 PolarHBondContact O-N 2.87Å; D196-G199 PolarHBondContact OD1-N 2.79Å
197L95.6Very high97Very high25 Ų2571.7 Ų71.713%0.13135%0.353CS..SBendtrans-68.4-28179.2-57.7-168.2000113.6V167 F168 K171 M188 G199 M200V167-L197 HydrophobicContact CG1-CD2 4.03Å; F168-L197 HydrophobicContact CD1-CD1 4.09Å; F168-L197 HydrophobicContact CD2-CD1 4.26Å; F168-L197 HydrophobicContact CD2-CD2 3.91Å; F168-L197 HydrophobicContact CE1-CB 4Å; F168-L197 HydrophobicContact CE1-CD1 4.37Å; F168-L197 HydrophobicContact CE2-CB 4.38Å; F168-L197 HydrophobicContact CE2-CD2 3.72Å; F168-L197 HydrophobicContact CE2-CG 4.44Å; F168-L197 HydrophobicContact CG-CD1 4.04Å; F168-L197 HydrophobicContact CZ-CB 3.92Å; F168-L197 HydrophobicContact CZ-CD2 4.14Å; F168-L197 HydrophobicContact CZ-CG 4.44Å; K171-L197 HydrophobicContact CB-CD1 3.57Å; K171-L197 HydrophobicContact CG-CD1 3.52Å; K171-L197 HydrophobicContact CG-CG 4.43Å; M188-L197 HydrophobicContact CE-CD2 3.81Å; M188-L197 HydrophobicContact SD-CD2 4.17Å; L197-G199 VanDerWaalsContact C-N 3.29Å; L197-M200 WeakPolarHBondContact O-CB 3.31Å; L197-M200 PolarHBondContact O-N 2.85Å
198M97Very high96.8Very high142 Ų14274.4 Ų74.470%0.736%0.363SS*.G310 helixtrans-70.1-33.5177.5-69.8-65.117500110.6D196 M200 L201D196-M198 VanDerWaalsContact C-N 3.33Å; D196-M198 PolarHBondContact O-N 3.02Å; D196-M198 WeakPolarHBondContact OD1-CA 3.42Å; D196-M198 WeakPolarHBondContact OD1-CB 3.23Å; D196-M198 PolarHBondContact OD1-N 2.71Å; M198-M200 PolarHBondContact O-N 2.85Å; M198-M200 VanDerWaalsContact O-N 3.16Å; M198-L201 WeakPolarHBondContact O-CG 3.28Å; M198-L201 PolarHBondContact O-N 3.43Å; M198-L201 VanDerWaalsContact O-N 3.13Å; M198-L201 HydrophobicContact SD-CD1 3.8Å
199G97.5Very high96.4Very high24 Ų2480.1 Ų80.125%0.24739%0.39CS..G310 helixtrans-58.7-21.517200000114.2V194 D196 L197 P202V194-G199 VanDerWaalsContact CG1-C 3.42Å; V194-G199 WeakPolarHBondContact CG1-O 3.22Å; D196-G199 PolarHBondContact O-N 2.87Å; D196-G199 PolarHBondContact OD1-N 2.79Å; L197-G199 VanDerWaalsContact C-N 3.29Å; G199-P202 WeakPolarHBondContact O-CD 3.2Å
200M98Very high95.8Very high1 Ų179.7 Ų79.71%0.00539%0.387CS..G310 helixtrans-76-24.3176.8-69.9-64.8-64.300113.6L164 F168 M188 F192 V194 L197 M198 H203 L204L164-M200 HydrophobicContact CD1-CE 3.98Å; L164-M200 HydrophobicContact CD2-CE 4.31Å; F168-M200 HydrophobicContact CE2-CB 4.37Å; F168-M200 HydrophobicContact CE2-CG 4.19Å; F168-M200 HydrophobicContact CZ-CB 3.84Å; F168-M200 HydrophobicContact CZ-CG 4.1Å; M188-M200 HydrophobicContact CG-CE 4.35Å; M188-M200 HydrophobicContact CG-CG 4.46Å; M188-M200 HydrophobicContact CG-SD 3.79Å; M188-M200 HydrophobicContact SD-CG 4.04Å; M188-M200 HydrophobicContact SD-SD 4.14Å; F192-M200 HydrophobicContact CB-CE 4.48Å; F192-M200 HydrophobicContact CB-SD 3.65Å; F192-M200 HydrophobicContact CD1-CE 3.91Å; F192-M200 HydrophobicContact CD1-SD 4.17Å; F192-M200 HydrophobicContact CD2-CE 3.65Å; F192-M200 HydrophobicContact CD2-SD 3.69Å; F192-M200 HydrophobicContact CE1-CE 4.01Å; F192-M200 HydrophobicContact CE2-CE 3.76Å; F192-M200 HydrophobicContact CE2-SD 4.41Å; F192-M200 HydrophobicContact CG-CE 3.74Å; F192-M200 HydrophobicContact CG-SD 3.56Å; F192-M200 VanDerWaalsContact CG-SD 3.56Å; F192-M200 HydrophobicContact CZ-CE 3.94Å; V194-M200 HydrophobicContact CG1-SD 4.34Å; V194-M200 HydrophobicContact CG2-CG 4.2Å; V194-M200 HydrophobicContact CG2-SD 3.82Å; L197-M200 WeakPolarHBondContact O-CB 3.31Å; L197-M200 PolarHBondContact O-N 2.85Å; M198-M200 PolarHBondContact O-N 2.85Å; M198-M200 VanDerWaalsContact O-N 3.16Å; M200-H203 WeakPolarHBondContact O-CA 3.49Å; M200-H203 WeakPolarHBondContact O-CB 3.15Å; M200-H203 PolarHBondContact O-N 3.4Å; M200-L204 HydrophobicContact CB-CD1 4.32Å; M200-L204 WeakPolarHBondContact O-CG 3.45Å; M200-L204 PolarHBondContact O-N 3.42Å
201L96.9Very high95.2Very high68 Ų6877.3 Ų77.336%0.35639%0.385SS..Hα-helixtrans-56.4-42.2-173.5-59.7177.4000113.3M198 H203 L204 Y205M198-L201 WeakPolarHBondContact O-CG 3.28Å; M198-L201 PolarHBondContact O-N 3.43Å; M198-L201 VanDerWaalsContact O-N 3.13Å; M198-L201 HydrophobicContact SD-CD1 3.8Å; L201-H203 VanDerWaalsContact C-N 3.27Å; L201-H203 PolarHBondContact O-N 2.9Å; L201-L204 PolarHBondContact O-N 2.99Å; L201-L204 VanDerWaalsContact O-N 3.12Å; L201-Y205 HydrophobicContact CB-CD2 4.27Å; L201-Y205 HydrophobicContact CD2-CD2 4.35Å; L201-Y205 HydrophobicContact CD2-CE2 3.84Å; L201-Y205 VanDerWaalsContact O-CD2 3.29Å; L201-Y205 WeakPolarHBondContact O-CD2 3.39Å; L201-Y205 PolarHBondContact O-N 2.97Å
202P97.7Very high95Very high47 Ų4778.6 Ų78.631%0.30539%0.391SS..Hα-helixtrans-55.5-37.3171.8-2735.9000114.2G199 L204 R206 N207G199-P202 WeakPolarHBondContact O-CD 3.2Å; P202-L204 VanDerWaalsContact C-N 3.31Å; P202-R206 PolarHBondContact O-N 3.08Å; P202-N207 WeakPolarHBondContact O-CA 3.37Å; P202-N207 WeakPolarHBondContact O-CB 3.36Å; P202-N207 PolarHBondContact O-N 3.29Å
203H97.6Very high95Very high43 Ų4378.6 Ų78.620%0.19939%0.391CS..Hα-helixtrans-75.9-19.4179.2-62.6-80.6000113.4F192 M200 L201 F208 F212F192-H203 HydrophobicContact CD1-CB 4.09Å; F192-H203 AromaticContact CD1-CG 3.85Å; F192-H203 AromaticContact CD1-ND1 3.99Å; F192-H203 HydrophobicContact CE1-CB 4.43Å; F192-H203 PolarHBondContact O-NE2 3.04Å; M200-H203 WeakPolarHBondContact O-CA 3.49Å; M200-H203 WeakPolarHBondContact O-CB 3.15Å; M200-H203 PolarHBondContact O-N 3.4Å; L201-H203 VanDerWaalsContact C-N 3.27Å; L201-H203 PolarHBondContact O-N 2.9Å; H203-F208 WeakPolarHBondContact O-CA 3.32Å; H203-F208 WeakPolarHBondContact O-CD2 3.06Å; H203-F212 AromaticContact ND1-CE1 3.84Å
204L96.6Very high94.9Very high56 Ų5670.5 Ų70.529%0.29336%0.355SS..Hα-helixtrans-94.3-28.3179-63.1174.1000112.8F168 M200 L201 P202 F213F168-L204 HydrophobicContact CZ-CD1 4.47Å; M200-L204 HydrophobicContact CB-CD1 4.32Å; M200-L204 WeakPolarHBondContact O-CG 3.45Å; M200-L204 PolarHBondContact O-N 3.42Å; L201-L204 PolarHBondContact O-N 2.99Å; L201-L204 VanDerWaalsContact O-N 3.12Å; P202-L204 VanDerWaalsContact C-N 3.31Å; L204-F213 HydrophobicContact CD2-CD2 4.23Å; L204-F213 HydrophobicContact CD2-CE2 3.49Å; L204-F213 VanDerWaalsContact CD2-CE2 3.49Å; L204-F213 HydrophobicContact CD2-CZ 4.18Å
205Y96.3Very high94.8Very high178 Ų17871 Ų7170%0.69836%0.363SS*.THydrogen-bonded Turntrans-118.6-83.4-175.5-60.8-79.5000111.8L201 N207 F208L201-Y205 HydrophobicContact CB-CD2 4.27Å; L201-Y205 HydrophobicContact CD2-CD2 4.35Å; L201-Y205 HydrophobicContact CD2-CE2 3.84Å; L201-Y205 VanDerWaalsContact O-CD2 3.29Å; L201-Y205 WeakPolarHBondContact O-CD2 3.39Å; L201-Y205 PolarHBondContact O-N 2.97Å; Y205-N207 PolarHBondContact O-N 2.99Å; Y205-F208 PolarHBondContact O-N 3.39Å
206R94.8Very high95.1Very high207 Ų20766.1 Ų66.178%0.78133%0.329SS*.THydrogen-bonded Turntrans-64.3-39.4-164.5-167.6-179.377.5-173.84.4113.8P202P202-R206 PolarHBondContact O-N 3.08Å
207N94.4Very high95.3Very high75 Ų7563 Ų6340%0.40131%0.313SS..THydrogen-bonded Turntrans-115.623.9-173.4-52.3-16.8000111.1P202 Y205 Q209P202-N207 WeakPolarHBondContact O-CA 3.37Å; P202-N207 WeakPolarHBondContact O-CB 3.36Å; P202-N207 PolarHBondContact O-N 3.29Å; Y205-N207 PolarHBondContact O-N 2.99Å; N207-Q209 PolarHBondContact O-N 2.96Å
208F94.4Very high95.4Very high68 Ų6867.1 Ų67.130%0.29834%0.335SS..  trans-58126.2-174.5176.7-103.4000111.6H148 F157 H203 Y205 K210 F213H148-F208 AromaticContact CD2-CE1 3.97Å; H148-F208 AromaticContact CD2-CZ 3.74Å; H148-F208 AromaticContact NE2-CE1 3.47Å; H148-F208 WeakPolarHBondContact NE2-CE1 3.12Å; H148-F208 AromaticContact NE2-CZ 3.75Å; F157-F208 AromaticContact CE2-CE2 3.93Å; F157-F208 HydrophobicContact CE2-CE2 3.93Å; F157-F208 AromaticContact CE2-CZ 3.78Å; F157-F208 HydrophobicContact CE2-CZ 3.78Å; F157-F208 HydrophobicContact CZ-CZ 4.49Å; H203-F208 WeakPolarHBondContact O-CA 3.32Å; H203-F208 WeakPolarHBondContact O-CD2 3.06Å; Y205-F208 PolarHBondContact O-N 3.39Å; F208-K210 HydrophobicContact CE1-CB 4.02Å; F208-K210 HydrophobicContact CZ-CB 4Å; F208-K210 HydrophobicContact CZ-CG 4.42Å; F208-F213 HydrophobicContact CE2-CB 4.28Å; F208-F213 HydrophobicContact CE2-CG 4.4Å
209Q90Very high95.5Very high121 Ų12163.8 Ų63.857%0.56532%0.316SS*.  trans-132108173.4-68.8-176.227.200108.6N207 S211 F212 F213N207-Q209 PolarHBondContact O-N 2.96Å; Q209-S211 VanDerWaalsContact C-N 3.3Å; Q209-S211 PolarHBondContact O-N 3.19Å; Q209-F212 HydrophobicContact CB-CB 3.89Å; Q209-F212 PolarHBondContact O-N 3.16Å; Q209-F212 VanDerWaalsContact O-N 3.16Å; Q209-F213 PolarHBondContact O-N 3.41Å
210K86.2Confident95.6Very high58 Ų5862.6 Ų62.625%0.25231%0.305SS..Hα-helixtrans-53.4-45-174.6-172.3-171.4-177.6-174.70112.9T127 D152 F157 F208 F213 A214T127-K210 HydrophobicContact CG2-CD 4.05Å; T127-K210 HydrophobicContact CG2-CG 3.95Å; D152-K210 WeakPolarHBondContact OD2-CE 3.41Å; D152-K210 IonicContact OD2-NZ 2.76Å; D152-K210 PolarHBondContact OD2-NZ 3.11Å; F157-K210 HydrophobicContact CD2-CG 4.01Å; F208-K210 HydrophobicContact CE1-CB 4.02Å; F208-K210 HydrophobicContact CZ-CB 4Å; F208-K210 HydrophobicContact CZ-CG 4.42Å; K210-F213 PolarHBondContact O-N 3.34Å; K210-A214 VanDerWaalsContact O-CB 3.28Å; K210-A214 WeakPolarHBondContact O-CB 3.15Å; K210-A214 PolarHBondContact O-N 3Å
211S85.2Confident95.6Very high79 Ų7962.9 Ų62.955%0.55231%0.307SS*.Hα-helixtrans-65.7-43.9-179.549.70000112.3Q209 G215Q209-S211 VanDerWaalsContact C-N 3.3Å; Q209-S211 PolarHBondContact O-N 3.19Å; S211-G215 PolarHBondContact O-N 3.41Å
212F95.4Very high95.7Very high78 Ų7863.7 Ų63.734%0.34231%0.309SS..Hα-helixtrans-63.4-44.7175.6178.6-105.4000111.2Y191 F192 H203 Q209 G215Y191-F212 HydrophobicContact CD1-CZ 4.23Å; Y191-F212 HydrophobicContact CE1-CD1 4.48Å; Y191-F212 HydrophobicContact CE1-CD2 4.36Å; Y191-F212 HydrophobicContact CE1-CE1 4.06Å; Y191-F212 AromaticContact CE1-CE2 3.92Å; Y191-F212 HydrophobicContact CE1-CE2 3.92Å; Y191-F212 AromaticContact CE1-CZ 3.75Å; Y191-F212 HydrophobicContact CE1-CZ 3.75Å; Y191-F212 WeakPolarHBondContact CE1-O 3.23Å; Y191-F212 AromaticContact CZ-CE2 3.93Å; Y191-F212 PolarHBondContact OH-O 3.15Å; F192-F212 AromaticContact CD1-CE1 3.76Å; F192-F212 HydrophobicContact CD1-CE1 3.76Å; F192-F212 HydrophobicContact CD1-CZ 4.47Å; F192-F212 HydrophobicContact CE1-CD1 4.35Å; F192-F212 AromaticContact CE1-CE1 3.94Å; F192-F212 HydrophobicContact CE1-CE1 3.94Å; H203-F212 AromaticContact ND1-CE1 3.84Å; Q209-F212 HydrophobicContact CB-CB 3.89Å; Q209-F212 PolarHBondContact O-N 3.16Å; Q209-F212 VanDerWaalsContact O-N 3.16Å; F212-G215 PolarHBondContact O-N 3.09Å
213F98.1Very high95.7Very high4 Ų461.5 Ų61.52%0.01830%0.295CS..Hα-helixtrans-61.8-48.5177.3-171.9-85.7000112F157 A160 H161 L164 F192 L204 F208 Q209 K210 G215 F216F157-F213 AromaticContact CD2-CD1 3.58Å; F157-F213 HydrophobicContact CD2-CD1 3.58Å; F157-F213 HydrophobicContact CD2-CE1 4.16Å; F157-F213 HydrophobicContact CD2-CG 4.44Å; F157-F213 AromaticContact CE2-CD1 3.47Å; F157-F213 HydrophobicContact CE2-CD1 3.47Å; F157-F213 VanDerWaalsContact CE2-CD1 3.47Å; F157-F213 AromaticContact CE2-CE1 3.85Å; F157-F213 HydrophobicContact CE2-CE1 3.85Å; F157-F213 HydrophobicContact CE2-CG 4.18Å; F157-F213 HydrophobicContact CG-CD1 4.48Å; F157-F213 HydrophobicContact CZ-CD1 4.3Å; F157-F213 HydrophobicContact CZ-CE1 4.23Å; A160-F213 HydrophobicContact CB-CD1 4.18Å; A160-F213 HydrophobicContact CB-CE1 3.97Å; H161-F213 HydrophobicContact CB-CE1 4Å; H161-F213 HydrophobicContact CB-CZ 4.42Å; L164-F213 HydrophobicContact CD1-CE1 4.28Å; L164-F213 HydrophobicContact CD1-CE2 3.56Å; L164-F213 HydrophobicContact CD1-CZ 3.42Å; L164-F213 VanDerWaalsContact CD1-CZ 3.42Å; F192-F213 HydrophobicContact CE1-CD2 4.05Å; F192-F213 HydrophobicContact CZ-CD2 4.04Å; F192-F213 HydrophobicContact CZ-CE2 4.31Å; L204-F213 HydrophobicContact CD2-CD2 4.23Å; L204-F213 HydrophobicContact CD2-CE2 3.49Å; L204-F213 VanDerWaalsContact CD2-CE2 3.49Å; L204-F213 HydrophobicContact CD2-CZ 4.18Å; F208-F213 HydrophobicContact CE2-CB 4.28Å; F208-F213 HydrophobicContact CE2-CG 4.4Å; Q209-F213 PolarHBondContact O-N 3.41Å; K210-F213 PolarHBondContact O-N 3.34Å; F213-G215 PolarHBondContact O-N 2.78Å; F213-F216 VanDerWaalsContact O-CB 3.32Å; F213-F216 WeakPolarHBondContact O-CB 3.44Å; F213-F216 PolarHBondContact O-N 3.35Å; F213-F216 VanDerWaalsContact O-N 3.16Å
214A95.3Very high95.8Very high8 Ų859.5 Ų59.57%0.06629%0.286CS..Hα-helixtrans-63.4-25.8176.400000113.1T127 F157 K210 F216 C217T127-A214 HydrophobicContact CG2-CB 3.78Å; F157-A214 HydrophobicContact CB-CB 4.02Å; K210-A214 VanDerWaalsContact O-CB 3.28Å; K210-A214 WeakPolarHBondContact O-CB 3.15Å; K210-A214 PolarHBondContact O-N 3Å; A214-F216 PolarHBondContact O-N 2.7Å; A214-C217 WeakPolarHBondContact O-CB 3.28Å; A214-C217 PolarHBondContact O-N 3.11Å
215G97.1Very high95.9Very high27 Ų2763.4 Ų63.428%0.27830%0.302SS..Hα-helixtrans-59.9-23.2175.200000113.6Y191 S211 F212 F213 C217 L218Y191-G215 VanDerWaalsContact OH-C 3.32Å; Y191-G215 WeakPolarHBondContact OH-CA 3.35Å; S211-G215 PolarHBondContact O-N 3.41Å; F212-G215 PolarHBondContact O-N 3.09Å; F213-G215 PolarHBondContact O-N 2.78Å; G215-C217 PolarHBondContact O-N 2.89Å; G215-C217 VanDerWaalsContact O-N 3.16Å; G215-L218 WeakPolarHBondContact O-CB 3.3Å; G215-L218 PolarHBondContact O-N 2.77Å
216F98.8Very high95.9Very high0 Ų059 Ų590%030%0.303CS..Hα-helixtrans-60.4-23.6172.6-173.8-121.9000112.8A160 L164 V184 A187 M188 Y191 F192 F213 A214 L218 K219 L220A160-F216 HydrophobicContact CB-CB 4.01Å; A160-F216 HydrophobicContact CB-CD1 4.08Å; L164-F216 HydrophobicContact CD1-CD1 4.13Å; L164-F216 HydrophobicContact CD1-CE1 4.46Å; L164-F216 HydrophobicContact CD2-CD1 4.2Å; L164-F216 HydrophobicContact CD2-CE1 3.72Å; L164-F216 HydrophobicContact CD2-CZ 4.32Å; L164-F216 HydrophobicContact CG-CD1 4.04Å; L164-F216 HydrophobicContact CG-CE1 3.9Å; V184-F216 HydrophobicContact CG1-CE1 4.48Å; V184-F216 HydrophobicContact CG1-CZ 4.45Å; A187-F216 HydrophobicContact CB-CE2 3.87Å; A187-F216 HydrophobicContact CB-CZ 4.09Å; A187-F216 WeakPolarHBondContact O-CE2 3.38Å; M188-F216 HydrophobicContact CB-CE2 4.49Å; M188-F216 HydrophobicContact CB-CZ 4.07Å; Y191-F216 HydrophobicContact CD1-CB 4.02Å; Y191-F216 AromaticContact CD1-CD2 3.86Å; Y191-F216 HydrophobicContact CD1-CD2 3.86Å; Y191-F216 HydrophobicContact CD1-CG 4.34Å; Y191-F216 HydrophobicContact CD2-CD2 4.37Å; Y191-F216 HydrophobicContact CE1-CB 3.94Å; Y191-F216 AromaticContact CG-CD2 3.74Å; Y191-F216 HydrophobicContact CG-CD2 3.74Å; Y191-F216 PolarHBondContact OH-N 3.04Å; F192-F216 HydrophobicContact CE2-CB 4.06Å; F192-F216 HydrophobicContact CE2-CD1 4.19Å; F192-F216 AromaticContact CE2-CD2 3.97Å; F192-F216 HydrophobicContact CE2-CD2 3.97Å; F192-F216 AromaticContact CE2-CG 3.8Å; F192-F216 HydrophobicContact CE2-CG 3.8Å; F192-F216 HydrophobicContact CZ-CB 4.02Å; F192-F216 HydrophobicContact CZ-CG 4.27Å; F213-F216 VanDerWaalsContact O-CB 3.32Å; F213-F216 WeakPolarHBondContact O-CB 3.44Å; F213-F216 PolarHBondContact O-N 3.35Å; F213-F216 VanDerWaalsContact O-N 3.16Å; A214-F216 PolarHBondContact O-N 2.7Å; F216-L218 PolarHBondContact O-N 2.92Å; F216-L218 VanDerWaalsContact O-N 3.15Å; F216-K219 HydrophobicContact CD2-CB 4.03Å; F216-K219 HydrophobicContact CD2-CG 4.33Å; F216-K219 HydrophobicContact CE2-CB 4.02Å; F216-K219 PolarHBondContact O-N 2.91Å; F216-L220 HydrophobicContact CD1-CD1 3.92Å; F216-L220 HydrophobicContact CD1-CG 4.18Å; F216-L220 HydrophobicContact CE1-CD1 3.96Å; F216-L220 HydrophobicContact CE1-CD2 3.92Å; F216-L220 HydrophobicContact CE1-CG 3.95Å; F216-L220 HydrophobicContact CZ-CD2 4.15Å; F216-L220 HydrophobicContact CZ-CG 4.38Å; F216-L220 PolarHBondContact O-N 3.22Å
217C98.7Very high96.1Very high13 Ų1351.3 Ų51.39%0.08829%0.288CS..Hα-helixtrans-54-31.9171.8-176.50000113I159 A214 G215 L220 A221I159-C217 HydrophobicContact CG2-CB 4.5Å; A214-C217 WeakPolarHBondContact O-CB 3.28Å; A214-C217 PolarHBondContact O-N 3.11Å; G215-C217 PolarHBondContact O-N 2.89Å; G215-C217 VanDerWaalsContact O-N 3.16Å; C217-L220 PolarHBondContact O-N 2.87Å; C217-A221 PolarHBondContact O-N 2.61Å
218L98.3Very high96.3Very high112 Ų11249 Ų4959%0.58628%0.276SS*.Hα-helixtrans-66-39.9177.1-178.261.4000111.4G215 F216 L220 A221 E222G215-L218 WeakPolarHBondContact O-CB 3.3Å; G215-L218 PolarHBondContact O-N 2.77Å; F216-L218 PolarHBondContact O-N 2.92Å; F216-L218 VanDerWaalsContact O-N 3.15Å; L218-L220 VanDerWaalsContact C-N 3.31Å; L218-L220 PolarHBondContact O-N 2.9Å; L218-A221 WeakPolarHBondContact O-CB 3.49Å; L218-A221 PolarHBondContact O-N 3.35Å; L218-E222 WeakPolarHBondContact O-CG 3.23Å; L218-E222 PolarHBondContact O-N 2.68Å
219K98.7Very high96.5Very high72 Ų7247.8 Ų47.831%0.31328%0.278SS..Hα-helixtrans-66.6-36176.2-62-46.7-172.2-173.70112.2A187 Y191 F216 E222 G223A187-K219 HydrophobicContact CB-CB 4.45Å; Y191-K219 HydrophobicContact CD2-CG 3.86Å; F216-K219 HydrophobicContact CD2-CB 4.03Å; F216-K219 HydrophobicContact CD2-CG 4.33Å; F216-K219 HydrophobicContact CE2-CB 4.02Å; F216-K219 PolarHBondContact O-N 2.91Å; K219-E222 WeakPolarHBondContact CD-OE2 3.21Å; K219-E222 VanDerWaalsContact NZ-CD 3.25Å; K219-E222 IonicContact NZ-OE1 2.81Å; K219-E222 PolarHBondContact NZ-OE1 2.93Å; K219-E222 IonicContact NZ-OE2 3.38Å; K219-E222 PolarHBondContact NZ-OE2 3.49Å; K219-E222 PolarHBondContact O-N 2.79Å; K219-G223 PolarHBondContact O-N 3.24Å
220L98.8Very high96.9Very high0 Ų042 Ų420%025%0.251CS..Hα-helixtrans-67.9-36172.7-61.7169.6000112I159 A163 V184 F216 C217 L218 G223 A224 C231 F235I159-L220 HydrophobicContact CG2-CB 4.49Å; I159-L220 HydrophobicContact CG2-CD1 3.82Å; A163-L220 HydrophobicContact CB-CD1 3.5Å; A163-L220 VanDerWaalsContact CB-CD1 3.5Å; A163-L220 HydrophobicContact CB-CD2 3.76Å; A163-L220 HydrophobicContact CB-CG 4.3Å; V184-L220 HydrophobicContact CG1-CD2 4.11Å; V184-L220 HydrophobicContact CG2-CD2 3.86Å; F216-L220 HydrophobicContact CD1-CD1 3.92Å; F216-L220 HydrophobicContact CD1-CG 4.18Å; F216-L220 HydrophobicContact CE1-CD1 3.96Å; F216-L220 HydrophobicContact CE1-CD2 3.92Å; F216-L220 HydrophobicContact CE1-CG 3.95Å; F216-L220 HydrophobicContact CZ-CD2 4.15Å; F216-L220 HydrophobicContact CZ-CG 4.38Å; F216-L220 PolarHBondContact O-N 3.22Å; C217-L220 PolarHBondContact O-N 2.87Å; L218-L220 VanDerWaalsContact C-N 3.31Å; L218-L220 PolarHBondContact O-N 2.9Å; L220-G223 PolarHBondContact O-N 3.45Å; L220-A224 WeakPolarHBondContact O-CB 3.34Å; L220-A224 PolarHBondContact O-N 3.18Å; L220-C231 WeakPolarHBondContact O-CB 3.43Å; L220-F235 HydrophobicContact CB-CE2 4Å
221A98.8Very high97.5Very high7 Ų739.2 Ų39.26%0.05824%0.239CC..Hα-helixtrans-64.4-48174.400000111.2C217 L218 G223 A224 E225 F235C217-A221 PolarHBondContact O-N 2.61Å; L218-A221 WeakPolarHBondContact O-CB 3.49Å; L218-A221 PolarHBondContact O-N 3.35Å; A221-G223 VanDerWaalsContact C-N 3.29Å; A221-G223 PolarHBondContact O-N 2.61Å; A221-A224 PolarHBondContact O-N 3.17Å; A221-E225 WeakPolarHBondContact O-CB 3.26Å; A221-E225 WeakPolarHBondContact O-CG 3.19Å; A221-E225 PolarHBondContact O-N 2.91Å; A221-F235 HydrophobicContact CB-CE2 4.14Å; A221-F235 HydrophobicContact CB-CZ 3.71Å
222E98.6Very high98.2Very high85 Ų8539.7 Ų39.740%0.39723%0.232SC..Hα-helixtrans-55-44.9174.9-69.5167.1-166.700111.1L218 K219 E225 A226L218-E222 WeakPolarHBondContact O-CG 3.23Å; L218-E222 PolarHBondContact O-N 2.68Å; K219-E222 WeakPolarHBondContact CD-OE2 3.21Å; K219-E222 VanDerWaalsContact NZ-CD 3.25Å; K219-E222 IonicContact NZ-OE1 2.81Å; K219-E222 PolarHBondContact NZ-OE1 2.93Å; K219-E222 IonicContact NZ-OE2 3.38Å; K219-E222 PolarHBondContact NZ-OE2 3.49Å; K219-E222 PolarHBondContact O-N 2.79Å; E222-E225 PolarHBondContact O-N 3.28Å; E222-A226 WeakPolarHBondContact O-CB 3.35Å; E222-A226 PolarHBondContact O-N 2.94Å
223G98.7Very high98.3Very high0 Ų038.7 Ų38.70%023%0.229CC..Hα-helixtrans-63.6-43.617600000113.7H183 K219 L220 A221 E225 A226 G227 D228H183-G223 VanDerWaalsContact NE2-CA 3.27Å; H183-G223 WeakPolarHBondContact NE2-CA 3.2Å; K219-G223 PolarHBondContact O-N 3.24Å; L220-G223 PolarHBondContact O-N 3.45Å; A221-G223 VanDerWaalsContact C-N 3.29Å; A221-G223 PolarHBondContact O-N 2.61Å; G223-E225 PolarHBondContact O-N 3.35Å; G223-A226 CarbonylContact O-C 3.52Å; G223-A226 PolarHBondContact O-N 3.12Å; G223-G227 PolarHBondContact O-N 3.45Å; G223-G227 VanDerWaalsContact O-N 3.15Å; G223-D228 WeakPolarHBondContact O-CB 3.16Å; G223-D228 PolarHBondContact O-N 3.19Å
224A98.6Very high98.4Very high1 Ų138.5 Ų38.51%0.00823%0.228CC..Hα-helixtrans-64.8-39.8178.200000112.3L220 A221 A226 G227 C231 Q232 F235 L278L220-A224 WeakPolarHBondContact O-CB 3.34Å; L220-A224 PolarHBondContact O-N 3.18Å; A221-A224 PolarHBondContact O-N 3.17Å; A224-A226 VanDerWaalsContact C-N 3.3Å; A224-G227 PolarHBondContact O-N 3.15Å; A224-G227 VanDerWaalsContact O-N 3.11Å; A224-C231 HydrophobicContact CB-CB 3.71Å; A224-C231 VanDerWaalsContact N-CB 3.32Å; A224-Q232 HydrophobicContact CB-CG 3.98Å; A224-Q232 PolarHBondContact O-NE2 3.12Å; A224-Q232 VanDerWaalsContact O-NE2 3.11Å; A224-F235 HydrophobicContact CB-CD2 4.3Å; A224-L278 HydrophobicContact CB-CD1 3.5Å; A224-L278 VanDerWaalsContact CB-CD1 3.5Å; A224-L278 HydrophobicContact CB-CD2 3.92Å; A224-L278 HydrophobicContact CB-CG 4.33Å
225E98.1Very high98.5Very high138 Ų13838.1 Ų38.165%0.64523%0.225SC*.Hα-helixtrans-65.2-34.1173.9-72.3174.7-177.900111.8A221 E222 G223 G227 L278A221-E225 WeakPolarHBondContact O-CB 3.26Å; A221-E225 WeakPolarHBondContact O-CG 3.19Å; A221-E225 PolarHBondContact O-N 2.91Å; E222-E225 PolarHBondContact O-N 3.28Å; G223-E225 PolarHBondContact O-N 3.35Å; E225-G227 PolarHBondContact O-N 3.38Å; E225-L278 HydrophobicContact CG-CD1 4.47Å
226A98.1Very high98.6Very high85 Ų8537.5 Ų37.570%0.70222%0.217SC*.THydrogen-bonded Turntrans-76.6-2.4172.600000114.1E222 G223 A224E222-A226 WeakPolarHBondContact O-CB 3.35Å; E222-A226 PolarHBondContact O-N 2.94Å; G223-A226 CarbonylContact O-C 3.52Å; G223-A226 PolarHBondContact O-N 3.12Å; A224-A226 VanDerWaalsContact C-N 3.3Å
227G98.1Very high98.6Very high47 Ų4739.9 Ų39.949%0.48523%0.228SC..THydrogen-bonded Turntrans94.210.9175.500000115.6G223 A224 E225 A229G223-G227 PolarHBondContact O-N 3.45Å; G223-G227 VanDerWaalsContact O-N 3.15Å; A224-G227 PolarHBondContact O-N 3.15Å; A224-G227 VanDerWaalsContact O-N 3.11Å; E225-G227 PolarHBondContact O-N 3.38Å; G227-A229 PolarHBondContact O-N 3.11Å
228D98.8Very high98.6Very high27 Ų2739.3 Ų39.314%0.14422%0.224CC..  trans-65.8123.2174.9-178.9-94.1000111.2H183 G223 L230 C231 Q232H183-D228 HydrophobicContact CB-CB 4.31Å; H183-D228 WeakPolarHBondContact CB-OD2 3.5Å; H183-D228 IonicContact CG-OD2 3.86Å; G223-D228 WeakPolarHBondContact O-CB 3.16Å; G223-D228 PolarHBondContact O-N 3.19Å; D228-L230 PolarHBondContact O-N 3.11Å; D228-L230 WeakPolarHBondContact OD1-CB 3.34Å; D228-L230 PolarHBondContact OD1-N 2.92Å; D228-L230 VanDerWaalsContact OD1-N 3.09Å; D228-C231 HydrophobicContact CB-CB 4.03Å; D228-C231 PolarHBondContact O-N 3Å; D228-C231 WeakPolarHBondContact OD1-CB 3.47Å; D228-C231 PolarHBondContact OD1-N 2.93Å; D228-C231 PolarHBondContact OD1-SG 3.5Å; D228-C231 VanDerWaalsContact OD1-SG 3.35Å; D228-Q232 WeakPolarHBondContact O-CG 3.29Å; D228-Q232 PolarHBondContact O-N 3.05Å
229A98.7Very high98.6Very high41 Ų4134 Ų3434%0.33920%0.196SC..Hα-helixtrans-68.9-34.1-172.400000112.9H179 G227 H233H179-A229 HydrophobicContact CB-CB 4.02Å; H179-A229 PolarHBondContact CD2-O 3.49Å; G227-A229 PolarHBondContact O-N 3.11Å; A229-H233 VanDerWaalsContact O-CB 3.26Å; A229-H233 WeakPolarHBondContact O-CB 3.45Å; A229-H233 PolarHBondContact O-N 2.63Å
230L98.8Very high98.6Very high0 Ų033 Ų330%019%0.191CC..Hα-helixtrans-70.1-43.5177.5-178.756.6000110.8T166 P178 H179 L181 V184 D228 H233 V234T166-L230 HydrophobicContact CG2-CD1 4.16Å; P178-L230 HydrophobicContact CG-CD1 3.93Å; H179-L230 HydrophobicContact CB-CB 3.97Å; L181-L230 HydrophobicContact CD2-CD2 3.57Å; V184-L230 HydrophobicContact CB-CD2 4Å; V184-L230 HydrophobicContact CG2-CB 4.23Å; V184-L230 HydrophobicContact CG2-CD2 3.6Å; V184-L230 HydrophobicContact CG2-CG 3.93Å; D228-L230 PolarHBondContact O-N 3.11Å; D228-L230 WeakPolarHBondContact OD1-CB 3.34Å; D228-L230 PolarHBondContact OD1-N 2.92Å; D228-L230 VanDerWaalsContact OD1-N 3.09Å; L230-H233 WeakPolarHBondContact O-CB 3.41Å; L230-H233 PolarHBondContact O-N 3.18Å; L230-V234 HydrophobicContact CD1-CG1 4.48Å; L230-V234 PolarHBondContact O-N 2.85Å
231C98.8Very high98.6Very high0 Ų033.9 Ų33.90%020%0.196CC..Hα-helixtrans-59.2-46.9173.6-710000111.4L220 A224 D228 H233 V234 F235L220-C231 WeakPolarHBondContact O-CB 3.43Å; A224-C231 HydrophobicContact CB-CB 3.71Å; A224-C231 VanDerWaalsContact N-CB 3.32Å; D228-C231 HydrophobicContact CB-CB 4.03Å; D228-C231 PolarHBondContact O-N 3Å; D228-C231 WeakPolarHBondContact OD1-CB 3.47Å; D228-C231 PolarHBondContact OD1-N 2.93Å; D228-C231 PolarHBondContact OD1-SG 3.5Å; D228-C231 VanDerWaalsContact OD1-SG 3.35Å; C231-H233 VanDerWaalsContact C-N 3.31Å; C231-H233 PolarHBondContact O-N 2.94Å; C231-V234 WeakPolarHBondContact O-CG2 3.47Å; C231-V234 PolarHBondContact O-N 3.13Å; C231-F235 WeakPolarHBondContact O-CD2 3.47Å; C231-F235 PolarHBondContact O-N 2.86Å
232Q98.8Very high98.6Very high88 Ų8833.6 Ų33.641%0.41119%0.193SC..Hα-helixtrans-60.9-40.8175.4-72178.1-7.500112.3A224 D228 F235 A236A224-Q232 HydrophobicContact CB-CG 3.98Å; A224-Q232 PolarHBondContact O-NE2 3.12Å; A224-Q232 VanDerWaalsContact O-NE2 3.11Å; D228-Q232 WeakPolarHBondContact O-CG 3.29Å; D228-Q232 PolarHBondContact O-N 3.05Å; Q232-F235 PolarHBondContact O-N 2.92Å; Q232-A236 WeakPolarHBondContact O-CB 3.49Å; Q232-A236 PolarHBondContact O-N 3.25Å
233H98.6Very high98.6Very high57 Ų5729.5 Ų29.526%0.26418%0.175SC..Hα-helixtrans-59.9-48.8177.6176.486000112.3H179 A229 L230 C231 F235 A236 E237H179-H233 AromaticContact CD2-CG 3.92Å; H179-H233 AromaticContact NE2-CG 3.98Å; H179-H233 AromaticContact NE2-ND1 3.87Å; A229-H233 VanDerWaalsContact O-CB 3.26Å; A229-H233 WeakPolarHBondContact O-CB 3.45Å; A229-H233 PolarHBondContact O-N 2.63Å; L230-H233 WeakPolarHBondContact O-CB 3.41Å; L230-H233 PolarHBondContact O-N 3.18Å; C231-H233 VanDerWaalsContact C-N 3.31Å; C231-H233 PolarHBondContact O-N 2.94Å; H233-F235 VanDerWaalsContact C-N 3.31Å; H233-F235 PolarHBondContact O-N 2.93Å; H233-A236 PolarHBondContact O-N 3.03Å; H233-E237 PolarHBondContact O-N 3.2Å
234V98.6Very high98.6Very high0 Ų035 Ų350%020%0.198CC..Hα-helixtrans-65.7-32.7-179.1-64.70000112.7I159 L162 A163 L230 C231 A238I159-V234 HydrophobicContact CG2-CG2 4.23Å; L162-V234 HydrophobicContact CD2-CB 4.1Å; L162-V234 HydrophobicContact CD2-CG1 3.84Å; L162-V234 HydrophobicContact CG-CG1 3.92Å; A163-V234 HydrophobicContact CB-CG1 4.26Å; L230-V234 HydrophobicContact CD1-CG1 4.48Å; L230-V234 PolarHBondContact O-N 2.85Å; C231-V234 WeakPolarHBondContact O-CG2 3.47Å; C231-V234 PolarHBondContact O-N 3.13Å; V234-A238 WeakPolarHBondContact O-CB 3.41Å; V234-A238 PolarHBondContact O-N 3.18Å
235F98.9Very high98.7Very high0 Ų035.5 Ų35.50%020%0.201CC..Hα-helixtrans-71.6-38.3172.5-87.2-90.6000112.7I159 L220 A221 A224 C231 Q232 H233 E237 A238 G239 V272 L278 L279I159-F235 HydrophobicContact CD1-CD1 4.27Å; I159-F235 HydrophobicContact CD1-CE1 3.99Å; I159-F235 HydrophobicContact CD1-CZ 4.34Å; I159-F235 HydrophobicContact CG2-CD2 4.44Å; I159-F235 HydrophobicContact CG2-CE2 4.05Å; I159-F235 HydrophobicContact CG2-CZ 4.27Å; L220-F235 HydrophobicContact CB-CE2 4Å; A221-F235 HydrophobicContact CB-CE2 4.14Å; A221-F235 HydrophobicContact CB-CZ 3.71Å; A224-F235 HydrophobicContact CB-CD2 4.3Å; C231-F235 WeakPolarHBondContact O-CD2 3.47Å; C231-F235 PolarHBondContact O-N 2.86Å; Q232-F235 PolarHBondContact O-N 2.92Å; H233-F235 VanDerWaalsContact C-N 3.31Å; H233-F235 PolarHBondContact O-N 2.93Å; F235-E237 VanDerWaalsContact C-N 3.32Å; F235-E237 PolarHBondContact O-N 3Å; F235-A238 WeakPolarHBondContact O-CB 3.33Å; F235-A238 PolarHBondContact O-N 2.88Å; F235-G239 PolarHBondContact O-N 3.25Å; F235-V272 HydrophobicContact CE1-CG1 4.47Å; F235-L278 HydrophobicContact CB-CB 3.63Å; F235-L278 HydrophobicContact CD1-CB 3.91Å; F235-L278 HydrophobicContact CD1-CD1 4.11Å; F235-L278 HydrophobicContact CD2-CD1 4.16Å; F235-L278 HydrophobicContact CE1-CD1 4.37Å; F235-L278 HydrophobicContact CE2-CD1 4.43Å; F235-L278 HydrophobicContact CG-CB 3.85Å; F235-L278 HydrophobicContact CG-CD1 4.01Å; F235-L279 HydrophobicContact CD1-CD2 3.93Å; F235-L279 HydrophobicContact CD1-CG 4.46Å; F235-L279 WeakPolarHBondContact O-CD2 3.38Å
236A98.7Very high98.7Very high15 Ų1529 Ų2912%0.12417%0.17CC..Hα-helixtrans-61.4-43.3173.300000110.9Q232 H233 A238 G239 R240Q232-A236 WeakPolarHBondContact O-CB 3.49Å; Q232-A236 PolarHBondContact O-N 3.25Å; H233-A236 PolarHBondContact O-N 3.03Å; A236-A238 PolarHBondContact O-N 3.48Å; A236-G239 PolarHBondContact O-N 3.04Å; A236-R240 WeakPolarHBondContact O-CG 3.4Å; A236-R240 PolarHBondContact O-N 3.38Å
237E98.8Very high98.6Very high50 Ų5026.3 Ų26.323%0.23415%0.148CC..Hα-helixtrans-61.2-41.8173.2-74.9-55.9129.100112.4W158 L162 H233 F235 G239 R240 V241W158-E237 HydrophobicContact CH2-CB 3.99Å; W158-E237 HydrophobicContact CZ3-CB 4.28Å; L162-E237 HydrophobicContact CD2-CB 4.12Å; H233-E237 PolarHBondContact O-N 3.2Å; F235-E237 VanDerWaalsContact C-N 3.32Å; F235-E237 PolarHBondContact O-N 3Å; E237-G239 VanDerWaalsContact C-N 3.32Å; E237-G239 PolarHBondContact O-N 3.42Å; E237-R240 WeakPolarHBondContact O-CB 3.4Å; E237-R240 PolarHBondContact O-N 2.99Å; E237-R240 VanDerWaalsContact O-N 3.13Å; E237-R240 IonicContact OE1-CZ 3.82Å; E237-R240 IonicContact OE1-NE 3.83Å; E237-R240 IonicContact OE1-NH1 2.63Å; E237-R240 PolarHBondContact OE1-NH1 3.15Å; E237-V241 WeakPolarHBondContact O-CG2 3.39Å; E237-V241 PolarHBondContact O-N 2.9Å
238A98.8Very high98.6Very high0 Ų026.9 Ų26.90%015%0.148CC..Hα-helixtrans-58.9-43.6173.500000111.8W158 I159 V234 F235 A236 R240 V241 L242 L279W158-A238 HydrophobicContact CE3-CB 4.42Å; W158-A238 HydrophobicContact CZ3-CB 4.1Å; I159-A238 HydrophobicContact CD1-CB 3.74Å; I159-A238 HydrophobicContact CG1-CB 3.61Å; V234-A238 WeakPolarHBondContact O-CB 3.41Å; V234-A238 PolarHBondContact O-N 3.18Å; F235-A238 WeakPolarHBondContact O-CB 3.33Å; F235-A238 PolarHBondContact O-N 2.88Å; A236-A238 PolarHBondContact O-N 3.48Å; A238-R240 VanDerWaalsContact C-N 3.34Å; A238-R240 PolarHBondContact O-N 3.23Å; A238-V241 VanDerWaalsContact O-CG2 3.25Å; A238-V241 WeakPolarHBondContact O-CG2 3.19Å; A238-V241 PolarHBondContact O-N 3.02Å; A238-L242 WeakPolarHBondContact O-CB 3.16Å; A238-L242 VanDerWaalsContact O-CG 3.27Å; A238-L242 WeakPolarHBondContact O-CG 3.27Å; A238-L242 PolarHBondContact O-N 3.48Å; A238-L279 HydrophobicContact CB-CD2 3.82Å
239G98.8Very high98.6Very high0 Ų025.7 Ų25.70%014%0.142CC..Hα-helixtrans-56.8-45.3172.500000112.5F235 A236 E237 L242 A243 L279 F283F235-G239 PolarHBondContact O-N 3.25Å; A236-G239 PolarHBondContact O-N 3.04Å; E237-G239 VanDerWaalsContact C-N 3.32Å; E237-G239 PolarHBondContact O-N 3.42Å; G239-L242 PolarHBondContact O-N 3.38Å; G239-A243 PolarHBondContact O-N 2.88Å; G239-L279 WeakPolarHBondContact CA-O 3.31Å; G239-F283 WeakPolarHBondContact O-CA 3.33Å; G239-F283 WeakPolarHBondContact O-CD2 3.12Å
240R98.8Very high98.5Very high53 Ų5323.9 Ų23.920%0.213%0.127CC..Hα-helixtrans-60-49.3177.5-68-177.3-178.392.611.1111.8A236 E237 A238 A243 K244 G282 E285 V286A236-R240 WeakPolarHBondContact O-CG 3.4Å; A236-R240 PolarHBondContact O-N 3.38Å; E237-R240 WeakPolarHBondContact O-CB 3.4Å; E237-R240 PolarHBondContact O-N 2.99Å; E237-R240 VanDerWaalsContact O-N 3.13Å; E237-R240 IonicContact OE1-CZ 3.82Å; E237-R240 IonicContact OE1-NE 3.83Å; E237-R240 IonicContact OE1-NH1 2.63Å; E237-R240 PolarHBondContact OE1-NH1 3.15Å; A238-R240 VanDerWaalsContact C-N 3.34Å; A238-R240 PolarHBondContact O-N 3.23Å; R240-A243 PolarHBondContact O-N 2.81Å; R240-K244 WeakPolarHBondContact O-CG 3.45Å; R240-K244 PolarHBondContact O-N 3.42Å; R240-G282 VanDerWaalsContact CG-CA 3.45Å; R240-E285 IonicContact CZ-OE2 2.85Å; R240-E285 IonicContact NE-OE1 3.82Å; R240-E285 IonicContact NE-OE2 3.5Å; R240-E285 PolarHBondContact NE-OE2 2.91Å; R240-E285 IonicContact NH2-OE2 2.89Å; R240-E285 PolarHBondContact NH2-OE2 3.01Å; R240-V286 HydrophobicContact CB-CG2 3.92Å; R240-V286 HydrophobicContact CG-CG2 4.07Å
241V98.7Very high98.3Very high18 Ų1829.2 Ų29.211%0.10916%0.161CC..Hα-helixtrans-70.5-33.8-177.1-63.10000112.5E153 G154 W158 E237 A238 K244 H245E153-V241 HydrophobicContact CB-CB 4.04Å; E153-V241 HydrophobicContact CB-CG2 3.95Å; G154-V241 VanDerWaalsContact N-CG2 3.31Å; W158-V241 HydrophobicContact CH2-CG1 4.28Å; W158-V241 HydrophobicContact CH2-CG2 4.15Å; W158-V241 HydrophobicContact CZ2-CG1 4.27Å; W158-V241 HydrophobicContact CZ2-CG2 4.45Å; W158-V241 HydrophobicContact CZ3-CG2 4.22Å; E237-V241 WeakPolarHBondContact O-CG2 3.39Å; E237-V241 PolarHBondContact O-N 2.9Å; A238-V241 VanDerWaalsContact O-CG2 3.25Å; A238-V241 WeakPolarHBondContact O-CG2 3.19Å; A238-V241 PolarHBondContact O-N 3.02Å; V241-K244 WeakPolarHBondContact O-CB 3.37Å; V241-K244 PolarHBondContact O-N 3.07Å; V241-H245 PolarHBondContact O-N 3.45Å; V241-H245 VanDerWaalsContact O-N 3.13Å; V241-H245 PolarHBondContact O-ND1 2.94Å
242L98.9Very high98.1Very high0 Ų031.3 Ų31.30%018%0.179CC..Hα-helixtrans-62.8-43.7171.5-74.1175.9000111.7L123 A238 G239 K244 H245 V246 L279 F283L123-L242 HydrophobicContact CD1-CD2 4.38Å; L123-L242 HydrophobicContact CD2-CB 4.1Å; L123-L242 HydrophobicContact CD2-CD2 4.48Å; L123-L242 HydrophobicContact CG-CD2 4.44Å; A238-L242 WeakPolarHBondContact O-CB 3.16Å; A238-L242 VanDerWaalsContact O-CG 3.27Å; A238-L242 WeakPolarHBondContact O-CG 3.27Å; A238-L242 PolarHBondContact O-N 3.48Å; G239-L242 PolarHBondContact O-N 3.38Å; L242-K244 VanDerWaalsContact C-N 3.31Å; L242-K244 PolarHBondContact O-N 3.37Å; L242-H245 WeakPolarHBondContact O-CB 3.34Å; L242-H245 PolarHBondContact O-N 3.11Å; L242-V246 PolarHBondContact O-N 3.47Å; L242-L279 HydrophobicContact CD1-CD1 4.25Å; L242-L279 HydrophobicContact CD1-CD2 4.44Å; L242-F283 HydrophobicContact CB-CD2 3.99Å; L242-F283 HydrophobicContact CB-CE2 4.03Å
243A98.7Very high97.9Very high0 Ų027.7 Ų27.70%016%0.164CC..Hα-helixtrans-66.6-32.4174.700000112.7G239 R240 H245 V246 A247 F283 V286 L287G239-A243 PolarHBondContact O-N 2.88Å; R240-A243 PolarHBondContact O-N 2.81Å; A243-H245 VanDerWaalsContact C-N 3.28Å; A243-H245 PolarHBondContact O-N 3.36Å; A243-V246 PolarHBondContact O-N 3.16Å; A243-A247 WeakPolarHBondContact O-CB 3.33Å; A243-A247 PolarHBondContact O-N 2.89Å; A243-F283 HydrophobicContact CB-CB 4.37Å; A243-F283 HydrophobicContact CB-CD1 4.36Å; A243-F283 HydrophobicContact CB-CD2 3.65Å; A243-F283 HydrophobicContact CB-CE2 3.94Å; A243-F283 HydrophobicContact CB-CG 3.88Å; A243-F283 HydrophobicContact CB-CZ 4.44Å; A243-F283 VanDerWaalsContact CB-O 3.29Å; A243-F283 WeakPolarHBondContact CB-O 3.05Å; A243-V286 HydrophobicContact CB-CB 3.58Å; A243-V286 HydrophobicContact CB-CG1 3.64Å; A243-V286 HydrophobicContact CB-CG2 4.42Å; A243-L287 HydrophobicContact CB-CD2 4.05Å; A243-L287 HydrophobicContact CB-CG 3.95Å
244K98.7Very high97.7Very high114 Ų11428 Ų2850%0.49617%0.165SC..Hα-helixtrans-62.6-34.6172.6-73.3172.9-173.9171.10112R240 V241 L242 A247 A248 V286R240-K244 WeakPolarHBondContact O-CG 3.45Å; R240-K244 PolarHBondContact O-N 3.42Å; V241-K244 WeakPolarHBondContact O-CB 3.37Å; V241-K244 PolarHBondContact O-N 3.07Å; L242-K244 VanDerWaalsContact C-N 3.31Å; L242-K244 PolarHBondContact O-N 3.37Å; K244-A247 PolarHBondContact O-N 2.88Å; K244-A248 WeakPolarHBondContact O-CB 3.4Å; K244-A248 PolarHBondContact O-N 3.47Å; K244-V286 HydrophobicContact CG-CG1 3.95Å
245H98.7Very high97.3Very high13 Ų1331.5 Ų31.56%0.0618%0.181CC..Hα-helixtrans-62.8-44.4174-76.860.8000111.6L123 C131 C143 V241 L242 A243 A248 V249L123-H245 HydrophobicContact CD1-CB 4.06Å; C131-H245 HydrophobicContact CB-CB 3.63Å; C143-H245 HydrophobicContact CB-CB 4.46Å; C143-H245 PolarHBondContact O-CD2 3.36Å; V241-H245 PolarHBondContact O-N 3.45Å; V241-H245 VanDerWaalsContact O-N 3.13Å; V241-H245 PolarHBondContact O-ND1 2.94Å; L242-H245 WeakPolarHBondContact O-CB 3.34Å; L242-H245 PolarHBondContact O-N 3.11Å; A243-H245 VanDerWaalsContact C-N 3.28Å; A243-H245 PolarHBondContact O-N 3.36Å; H245-A248 WeakPolarHBondContact O-CB 3.39Å; H245-A248 PolarHBondContact O-N 3.35Å; H245-V249 PolarHBondContact O-N 2.71Å
246V98.4Very high96.9Very high0 Ų034.8 Ų34.80%021%0.205CC..Hα-helixtrans-61.7-49.9174.7179.60000109.9V121 L123 L242 A243 A248 V249 L250 L264 I266 F283 L287V121-V246 HydrophobicContact CG1-CG2 4.43Å; L123-V246 HydrophobicContact CD1-CG2 4.33Å; L123-V246 HydrophobicContact CD2-CG2 3.76Å; L123-V246 HydrophobicContact CG-CG2 4.49Å; L242-V246 PolarHBondContact O-N 3.47Å; A243-V246 PolarHBondContact O-N 3.16Å; V246-A248 PolarHBondContact O-N 2.85Å; V246-V249 WeakPolarHBondContact O-CG2 3.49Å; V246-V249 PolarHBondContact O-N 2.96Å; V246-L250 HydrophobicContact CG1-CD2 4.37Å; V246-L250 WeakPolarHBondContact O-CG 3.31Å; V246-L250 PolarHBondContact O-N 3.5Å; V246-L250 VanDerWaalsContact O-N 3.15Å; V246-L264 HydrophobicContact CG1-CD2 3.7Å; V246-I266 HydrophobicContact CG1-CD1 4.08Å; V246-I266 HydrophobicContact CG2-CD1 4.27Å; V246-F283 HydrophobicContact CG2-CZ 4.23Å; V246-L287 HydrophobicContact CB-CD2 4.16Å; V246-L287 HydrophobicContact CG1-CD2 4.13Å
247A97.8Very high96.6Very high30 Ų3034.3 Ų34.325%0.24820%0.2CC..Hα-helixtrans-57.5-33.4178.900000113A243 K244 V249 L250 A290A243-A247 WeakPolarHBondContact O-CB 3.33Å; A243-A247 PolarHBondContact O-N 2.89Å; K244-A247 PolarHBondContact O-N 2.88Å; A247-V249 VanDerWaalsContact C-N 3.32Å; A247-V249 PolarHBondContact O-N 2.84Å; A247-L250 PolarHBondContact O-N 3.11Å; A247-A290 HydrophobicContact CB-CB 4.29Å
248A98.1Very high96.2Very high58 Ų5832 Ų3248%0.47919%0.189SC..Hα-helixtrans-67.2-30.6177.800000113.2C143 K244 H245 V246 P251C143-A248 HydrophobicContact CB-CB 4.1Å; K244-A248 WeakPolarHBondContact O-CB 3.4Å; K244-A248 PolarHBondContact O-N 3.47Å; H245-A248 WeakPolarHBondContact O-CB 3.39Å; H245-A248 PolarHBondContact O-N 3.35Å; V246-A248 PolarHBondContact O-N 2.85Å; A248-P251 WeakPolarHBondContact O-CD 3.43Å
249V97.5Very high95.5Very high2 Ų234.8 Ų34.81%0.01221%0.209CC..Hα-helixtrans-90.9-17.6178.7-60.40000113.6V121 L133 V141 C143 H245 V246 A247 A252V121-V249 HydrophobicContact CG2-CG2 4.35Å; L133-V249 HydrophobicContact CB-CB 3.93Å; L133-V249 HydrophobicContact CB-CG2 3.97Å; L133-V249 WeakPolarHBondContact CD2-O 3.21Å; V141-V249 HydrophobicContact CG1-CB 3.76Å; V141-V249 HydrophobicContact CG1-CG1 3.92Å; C143-V249 HydrophobicContact CB-CG1 3.95Å; H245-V249 PolarHBondContact O-N 2.71Å; V246-V249 WeakPolarHBondContact O-CG2 3.49Å; V246-V249 PolarHBondContact O-N 2.96Å; A247-V249 VanDerWaalsContact C-N 3.32Å; A247-V249 PolarHBondContact O-N 2.84Å; V249-A252 PolarHBondContact O-N 3.34Å; V249-A252 VanDerWaalsContact O-N 3.1Å
250L95.8Very high94.8Very high4 Ų436.2 Ų36.22%0.02122%0.223CC..G310 helixtrans-52.4-37.9-179.6-70.6-178.8000115.4V246 A247 A252 A253 L258 L264 A290 L296 F300V246-L250 HydrophobicContact CG1-CD2 4.37Å; V246-L250 WeakPolarHBondContact O-CG 3.31Å; V246-L250 PolarHBondContact O-N 3.5Å; V246-L250 VanDerWaalsContact O-N 3.15Å; A247-L250 PolarHBondContact O-N 3.11Å; L250-A252 PolarHBondContact O-N 2.63Å; L250-A252 VanDerWaalsContact O-N 3.1Å; L250-A253 WeakPolarHBondContact O-CB 3.44Å; L250-A253 PolarHBondContact O-N 3.38Å; L250-L258 HydrophobicContact CD2-CD2 3.99Å; L250-L264 HydrophobicContact CD2-CD2 3.66Å; L250-A290 HydrophobicContact CD1-CB 4.35Å; L250-L296 HydrophobicContact CB-CD1 4.18Å; L250-L296 HydrophobicContact CD1-CD1 3.62Å; L250-F300 HydrophobicContact CD1-CD1 4.09Å; L250-F300 HydrophobicContact CD1-CE1 3.89Å; L250-F300 HydrophobicContact CD1-CZ 4.37Å
251P94.5Very high94.1Very high111 Ų11142.7 Ų42.772%0.72126%0.256SS*.G310 helixtrans-60.5-21.5179.7-26.236.4000114.5A248A248-P251 WeakPolarHBondContact O-CD 3.43Å
252A95.6Very high93.5Very high45 Ų4545 Ų4537%0.37227%0.268SS..G310 helixtrans-97.5-1.3177.400000113.2L133 N135 V141 V249 L250L133-A252 HydrophobicContact CD2-CB 4.16Å; N135-A252 PolarHBondContact ND2-O 3.29Å; N135-A252 PolarHBondContact OD1-O 2.91Å; V141-A252 HydrophobicContact CB-CB 4.31Å; V141-A252 HydrophobicContact CG1-CB 3.69Å; V249-A252 PolarHBondContact O-N 3.34Å; V249-A252 VanDerWaalsContact O-N 3.1Å; L250-A252 PolarHBondContact O-N 2.63Å; L250-A252 VanDerWaalsContact O-N 3.1Å
253A95Very high93.2Very high12 Ų1245.4 Ų45.410%0.09927%0.271CS..  trans-72.5130.7179.500000111.2L133 L250 L258L133-A253 HydrophobicContact CD1-CB 4.31Å; L133-A253 HydrophobicContact CD2-CB 3.84Å; L250-A253 WeakPolarHBondContact O-CB 3.44Å; L250-A253 PolarHBondContact O-N 3.38Å; A253-L258 HydrophobicContact CB-CD1 4.36Å; A253-L258 HydrophobicContact CB-CD2 4.03Å; A253-L258 HydrophobicContact CB-CG 4.25Å
254Q94Very high93Very high63 Ų6345.4 Ų45.429%0.29427%0.271SS..  trans-67.9148.1170.1-69.4-173.52.200111.3N135 D137 S256 L257N135-Q254 HydrophobicContact CB-CG 4.07Å; N135-Q254 PolarHBondContact OD1-N 2.86Å; D137-Q254 PolarHBondContact OD1-NE2 3.04Å; D137-Q254 PolarHBondContact OD2-NE2 2.85Å; Q254-S256 PolarHBondContact O-N 3.22Å; Q254-S256 VanDerWaalsContact O-N 3.15Å; Q254-L257 WeakPolarHBondContact O-CB 3.43Å; Q254-L257 PolarHBondContact O-N 2.95Å
255E90.8Very high92.8Very high73 Ų7340.7 Ų40.734%0.34125%0.252SS..Hα-helixtrans-57.2-34.7-173.6-168.163.8-162.600113.6L257 L258 S259 R299E255-L257 PolarHBondContact O-N 2.92Å; E255-L258 PolarHBondContact O-N 2.95Å; E255-S259 PolarHBondContact O-N 3.46Å; E255-S259 PolarHBondContact O-OG 3.38Å; E255-R299 WeakPolarHBondContact OE1-CB 3.45Å; E255-R299 WeakPolarHBondContact OE1-CG 3.34Å; E255-R299 IonicContact OE1-NE 3.32Å; E255-R299 PolarHBondContact OE1-NE 2.87Å; E255-R299 IonicContact OE2-CZ 2.64Å; E255-R299 IonicContact OE2-NE 3.1Å; E255-R299 PolarHBondContact OE2-NE 3.13Å; E255-R299 IonicContact OE2-NH2 3.47Å; E255-R299 PolarHBondContact OE2-NH2 3.16Å
256S90.7Very high92.8Very high70 Ų7040.1 Ų40.149%0.4925%0.249SC..Hα-helixtrans-61.8-2317951.50000113.4P136 Q254P136-S256 WeakPolarHBondContact CG-OG 3.45Å; Q254-S256 PolarHBondContact O-N 3.22Å; Q254-S256 VanDerWaalsContact O-N 3.15Å
257L92.2Very high92.7Very high5 Ų540.3 Ų40.33%0.02625%0.25CS..Hα-helixtrans-82.7-22.3174.7-72179.6000113.4R118 L133 Q254 E255 L264 P265R118-L257 VanDerWaalsContact O-CD2 3.23Å; R118-L257 WeakPolarHBondContact O-CD2 3.48Å; L133-L257 HydrophobicContact CD1-CD1 3.72Å; Q254-L257 WeakPolarHBondContact O-CB 3.43Å; Q254-L257 PolarHBondContact O-N 2.95Å; E255-L257 PolarHBondContact O-N 2.92Å; L257-L264 HydrophobicContact CB-CD1 4.3Å; L257-L264 VanDerWaalsContact O-CA 3.31Å; L257-L264 WeakPolarHBondContact O-CA 3.44Å; L257-P265 HydrophobicContact CD2-CG 4.4Å
258L90.3Very high92.7Very high1 Ų139.3 Ų39.31%0.00524%0.242CC..Hα-helixtrans-96-26.6-172.8-58.7179.9000113.2L250 A253 E255 L264 L296 R299 F300 L301L250-L258 HydrophobicContact CD2-CD2 3.99Å; A253-L258 HydrophobicContact CB-CD1 4.36Å; A253-L258 HydrophobicContact CB-CD2 4.03Å; A253-L258 HydrophobicContact CB-CG 4.25Å; E255-L258 PolarHBondContact O-N 2.95Å; L258-L264 HydrophobicContact CD2-CD1 4.06Å; L258-L296 HydrophobicContact CD1-CD2 4.16Å; L258-R299 CarbonylContact C-O 3.58Å; L258-R299 WeakPolarHBondContact CB-O 3.45Å; L258-F300 HydrophobicContact CD2-CD2 4.15Å; L258-L301 PolarHBondContact O-N 3.24Å
259S82.9Confident92.3Very high58 Ų5839 Ų3941%0.40623%0.234SC..SBendtrans-108.91.2-168.957.10000114.6E255E255-S259 PolarHBondContact O-N 3.46Å; E255-S259 PolarHBondContact O-OG 3.38Å
260G83.9Confident91.9Very high30 Ų3040.7 Ų40.731%0.30925%0.251SS..SBendtrans-69.8167.8177.500000113.6L262 G263G260-L262 PolarHBondContact O-N 3.31Å; G260-G263 WeakPolarHBondContact O-CA 3.27Å; G260-G263 PolarHBondContact O-N 2.98Å
261E85.1Confident91.7Very high190 Ų19044 Ų4489%0.88827%0.274SS*.THydrogen-bonded Turntrans-58-30.6-179.9-66.4-175.9165.700113.7G263 Q341E261-G263 PolarHBondContact O-N 2.92Å; E261-Q341 PolarHBondContact O-NE2 3.46Å; E261-Q341 VanDerWaalsContact O-NE2 3.12Å
262L86.2Confident91.8Very high67 Ų6739 Ų3935%0.35124%0.242SC..THydrogen-bonded Turntrans-81-2.6176.2-61.9-178.5000112.9G260 Y303 S304 I338G260-L262 PolarHBondContact O-N 3.31Å; L262-Y303 CarbonylContact O-C 3.52Å; L262-S304 VanDerWaalsContact O-CB 3.31Å; L262-S304 WeakPolarHBondContact O-CB 3.4Å; L262-S304 PolarHBondContact O-N 3.19Å; L262-S304 PolarHBondContact O-OG 3.24Å; L262-I338 HydrophobicContact CD2-CD1 3.51Å; L262-I338 HydrophobicContact CD2-CG1 4.38Å
263G91.4Very high91.9Very high7 Ų737.8 Ų37.87%0.07223%0.228CC..SBendtrans56.6-148.2-157.800000110.2G260 E261 P265 G302G260-G263 WeakPolarHBondContact O-CA 3.27Å; G260-G263 PolarHBondContact O-N 2.98Å; E261-G263 PolarHBondContact O-N 2.92Å; G263-P265 WeakPolarHBondContact O-CD 3.4Å; G263-G302 WeakPolarHBondContact CA-O 3.4Å
264L95.3Very high92Very high0 Ų045.8 Ų45.80%026%0.26CS..EExtended strand (participates in β ladder)trans-68.5116.3172.7-17871000111.1V121 V246 L250 L257 L258 I266 F300 G302 Y303 S304V121-L264 HydrophobicContact CG2-CD1 4.06Å; V121-L264 HydrophobicContact CG2-CD2 4.19Å; V121-L264 HydrophobicContact CG2-CG 4.37Å; V246-L264 HydrophobicContact CG1-CD2 3.7Å; L250-L264 HydrophobicContact CD2-CD2 3.66Å; L257-L264 HydrophobicContact CB-CD1 4.3Å; L257-L264 VanDerWaalsContact O-CA 3.31Å; L257-L264 WeakPolarHBondContact O-CA 3.44Å; L258-L264 HydrophobicContact CD2-CD1 4.06Å; L264-I266 HydrophobicContact CD2-CD1 4.13Å; L264-I266 HydrophobicContact CD2-CG1 3.99Å; L264-I266 HydrophobicContact CG-CG1 4.04Å; L264-I266 PolarHBondContact O-N 2.92Å; L264-F300 HydrophobicContact CB-CD2 4.38Å; L264-F300 HydrophobicContact CB-CE2 3.66Å; L264-F300 HydrophobicContact CD2-CE2 4.1Å; L264-F300 HydrophobicContact CD2-CZ 4.38Å; L264-G302 PolarHBondContact N-O 3.15Å; L264-Y303 WeakPolarHBondContact O-CA 3.33Å; L264-S304 PolarHBondContact O-N 2.99Å
265P95.6Very high92.2Very high16 Ų1643.4 Ų43.410%0.10425%0.251CS..EExtended strand (participates in β ladder)trans-75.4121.617230.2-31.8000110.2V121 L257 G263 L306V121-P265 PolarHBondContact N-O 2.81Å; L257-P265 HydrophobicContact CD2-CG 4.4Å; G263-P265 WeakPolarHBondContact O-CD 3.4Å; P265-L306 HydrophobicContact CB-CD1 3.74Å
266I97.4Very high92.6Very high0 Ų041.4 Ų41.40%024%0.24CC..EExtended strand (participates in β ladder)trans-117.7107.6178.4-53.9172.9000108.4V121 L123 V246 L264 C268 F283 L287 Y303 S304 L305 L306V121-I266 HydrophobicContact CB-CG1 4.36Å; V121-I266 HydrophobicContact CG1-CG2 4.25Å; V121-I266 CarbonylContact O-C 3.44Å; V121-I266 WeakPolarHBondContact O-CA 3.42Å; L123-I266 HydrophobicContact CB-CG2 3.82Å; L123-I266 HydrophobicContact CD2-CG2 4.47Å; V246-I266 HydrophobicContact CG1-CD1 4.08Å; V246-I266 HydrophobicContact CG2-CD1 4.27Å; L264-I266 HydrophobicContact CD2-CD1 4.13Å; L264-I266 HydrophobicContact CD2-CG1 3.99Å; L264-I266 HydrophobicContact CG-CG1 4.04Å; L264-I266 PolarHBondContact O-N 2.92Å; I266-C268 PolarHBondContact O-N 3.4Å; I266-F283 HydrophobicContact CD1-CE1 4.33Å; I266-F283 HydrophobicContact CD1-CZ 4.12Å; I266-L287 HydrophobicContact CD1-CD1 4.34Å; I266-Y303 HydrophobicContact CD1-CD2 4.16Å; I266-Y303 HydrophobicContact CD1-CG 4.36Å; I266-S304 PolarHBondContact N-O 3.1Å; I266-L305 HydrophobicContact CB-CD2 3.91Å; I266-L305 HydrophobicContact CD1-CD2 4.14Å; I266-L305 HydrophobicContact CG2-CD2 4.21Å; I266-L305 CarbonylContact O-C 3.51Å; I266-L305 WeakPolarHBondContact O-CA 3.47Å; I266-L306 PolarHBondContact O-N 3.41Å
267L97.2Very high92.9Very high4 Ų442.7 Ų42.72%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-76.5110.7174.1-169.164.1000110.8A111 A115 V121 V122 L123 V269 L306 L308A111-L267 VanDerWaalsContact C-CD2 3.49Å; A111-L267 HydrophobicContact CB-CD2 3.69Å; A111-L267 VanDerWaalsContact O-CD2 3.28Å; A111-L267 WeakPolarHBondContact O-CD2 3.35Å; A115-L267 HydrophobicContact CB-CD1 3.95Å; A115-L267 HydrophobicContact CB-CD2 4.2Å; V121-L267 PolarHBondContact O-N 3.5Å; V122-L267 WeakPolarHBondContact CA-O 3.43Å; V122-L267 HydrophobicContact CG2-CB 4.42Å; V122-L267 HydrophobicContact CG2-CD2 4.35Å; L123-L267 PolarHBondContact N-O 2.81Å; L267-V269 HydrophobicContact CG-CG2 4.37Å; L267-L306 HydrophobicContact CD1-CB 3.8Å; L267-L308 HydrophobicContact CD1-CD2 3.84Å; L267-L308 HydrophobicContact CD1-CG 3.85Å; L267-L308 HydrophobicContact CD2-CD1 4.23Å; L267-L308 HydrophobicContact CD2-CD2 4.03Å; L267-L308 HydrophobicContact CD2-CG 3.98Å; L267-L308 HydrophobicContact CG-CG 4.34Å
268C96.8Very high93.2Very high9 Ų943.8 Ų43.86%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-86.8118.4-179.6-67.10000110.7I266 W273 L306I266-C268 PolarHBondContact O-N 3.4Å; C268-W273 HydrophobicContact CB-CB 4.42Å; C268-W273 HydrophobicContact CB-CD2 3.57Å; C268-W273 HydrophobicContact CB-CE3 4.08Å; C268-W273 HydrophobicContact CB-CG 3.73Å; C268-W273 HydrophobicContact CB-CZ2 4.15Å; C268-W273 VanDerWaalsContact SG-CZ3 3.59Å; C268-L306 PolarHBondContact N-O 3.04Å
269V91.1Very high93.7Very high53 Ų5343.8 Ų43.832%0.32125%0.252SS..EExtended strand (participates in β ladder)trans-122.9136.5177.7-1790000110.3V122 L123 I124 S125 L267 W273V122-V269 HydrophobicContact CG1-CG2 3.99Å; L123-V269 PolarHBondContact O-N 2.86Å; L123-V269 VanDerWaalsContact O-N 3.08Å; I124-V269 CarbonylContact C-O 3.44Å; I124-V269 VanDerWaalsContact CA-O 3.24Å; I124-V269 WeakPolarHBondContact CA-O 3.25Å; I124-V269 HydrophobicContact CG1-CB 4.22Å; S125-V269 PolarHBondContact N-O 2.89Å; L267-V269 HydrophobicContact CG-CG2 4.37Å; V269-W273 VanDerWaalsContact C-CD1 3.46Å; V269-W273 PolarHBondContact O-NE1 3.5Å
270G88.8Confident94.4Very high36 Ų3645 Ų4537%0.37125%0.25SS..SBendtrans108.7162174.900000114.5S125 V272S125-G270 CarbonylContact O-C 3.53Å; S125-G270 VanDerWaalsContact O-CA 3.26Å; S125-G270 WeakPolarHBondContact O-CA 3.43Å; G270-V272 PolarHBondContact O-N 3.38Å
271S90.9Very high95Very high73 Ų7347.2 Ų47.251%0.5126%0.259SS..G310 helixtrans-71.7-23.4-166.853.80000114.9S125 W273 K274S125-S271 PolarHBondContact O-N 2.8Å; S271-W273 PolarHBondContact O-N 2.87Å; S271-K274 WeakPolarHBondContact O-CB 3.49Å; S271-K274 WeakPolarHBondContact O-CG 3.45Å; S271-K274 PolarHBondContact O-N 3.35Å
272V97.3Very high95.7Very high6 Ų638.1 Ų38.14%0.03622%0.217CC..G310 helixtrans-67.8-27-177.9-176.70000111S125 I159 F235 G270 K274 S275 L279S125-V272 WeakPolarHBondContact O-CB 3.28Å; S125-V272 PolarHBondContact O-N 3.09Å; S125-V272 VanDerWaalsContact OG-CB 3.25Å; S125-V272 WeakPolarHBondContact OG-CB 3.3Å; S125-V272 WeakPolarHBondContact OG-CG2 3.38Å; I159-V272 HydrophobicContact CD1-CG1 3.71Å; F235-V272 HydrophobicContact CE1-CG1 4.47Å; G270-V272 PolarHBondContact O-N 3.38Å; V272-K274 PolarHBondContact O-N 2.84Å; V272-K274 VanDerWaalsContact O-N 3.13Å; V272-S275 WeakPolarHBondContact O-CB 3.35Å; V272-S275 PolarHBondContact O-N 3.41Å; V272-L279 HydrophobicContact CG1-CD1 4.24Å; V272-L279 HydrophobicContact CG1-CD2 4.35Å
273W97.7Very high96.3Very high21 Ų2135 Ų358%0.0820%0.2CC..G310 helixtrans-62-18.1174.9-67.6111000114.6L123 C268 V269 S271 S275 W276 L279 F283 L305L123-W273 HydrophobicContact CB-CZ2 3.9Å; L123-W273 HydrophobicContact CD2-CH2 3.46Å; L123-W273 VanDerWaalsContact CD2-CH2 3.46Å; L123-W273 HydrophobicContact CD2-CZ2 3.41Å; L123-W273 VanDerWaalsContact CD2-CZ2 3.41Å; L123-W273 HydrophobicContact CG-CH2 4.22Å; L123-W273 HydrophobicContact CG-CZ2 3.63Å; L123-W273 PolarHBondContact O-NE1 3.46Å; C268-W273 HydrophobicContact CB-CB 4.42Å; C268-W273 HydrophobicContact CB-CD2 3.57Å; C268-W273 HydrophobicContact CB-CE3 4.08Å; C268-W273 HydrophobicContact CB-CG 3.73Å; C268-W273 HydrophobicContact CB-CZ2 4.15Å; C268-W273 VanDerWaalsContact SG-CZ3 3.59Å; V269-W273 VanDerWaalsContact C-CD1 3.46Å; V269-W273 PolarHBondContact O-NE1 3.5Å; S271-W273 PolarHBondContact O-N 2.87Å; W273-S275 PolarHBondContact O-N 2.92Å; W273-W276 HydrophobicContact CE3-CE3 4.16Å; W273-W276 AromaticContact CZ3-CE3 3.86Å; W273-W276 HydrophobicContact CZ3-CE3 3.86Å; W273-W276 HydrophobicContact CZ3-CZ3 4.01Å; W273-W276 WeakPolarHBondContact O-CB 3.29Å; W273-W276 PolarHBondContact O-N 3.25Å; W273-W276 VanDerWaalsContact O-N 3.07Å; W273-L279 HydrophobicContact CE3-CD1 4.16Å; W273-L279 HydrophobicContact CZ3-CD1 4.44Å; W273-F283 HydrophobicContact CH2-CE2 4.03Å; W273-F283 HydrophobicContact CH2-CZ 4.43Å; W273-L305 HydrophobicContact CZ3-CD1 4.15Å
274K96.8Very high96.6Very high180 Ų18035.3 Ų35.378%0.78320%0.201SC*.G310 helixtrans-60.9-24.2170.6-64.3-179.6178.9-177.40111.8S271 V272 W276S271-K274 WeakPolarHBondContact O-CB 3.49Å; S271-K274 WeakPolarHBondContact O-CG 3.45Å; S271-K274 PolarHBondContact O-N 3.35Å; V272-K274 PolarHBondContact O-N 2.84Å; V272-K274 VanDerWaalsContact O-N 3.13Å; K274-W276 VanDerWaalsContact C-N 3.35Å
275S98.3Very high96.6Very high13 Ų1339.9 Ų39.99%0.09122%0.222CC..G310 helixtrans-95.726.1176.2-570000112.8V272 W273 P277 L278 L279V272-S275 WeakPolarHBondContact O-CB 3.35Å; V272-S275 PolarHBondContact O-N 3.41Å; W273-S275 PolarHBondContact O-N 2.92Å; S275-P277 VanDerWaalsContact C-N 3.31Å; S275-L278 WeakPolarHBondContact O-CB 3.14Å; S275-L278 PolarHBondContact O-N 3.25Å; S275-L279 PolarHBondContact O-N 3.41Å
276W98.5Very high96.8Very high31 Ų3140.1 Ų40.112%0.11722%0.224CC..Hα-helixtrans-46.9-43.7179.4171.7-118.9000114.5W273 K274 L278 L279 K280 F283 Y303 L305 F340W273-W276 HydrophobicContact CE3-CE3 4.16Å; W273-W276 AromaticContact CZ3-CE3 3.86Å; W273-W276 HydrophobicContact CZ3-CE3 3.86Å; W273-W276 HydrophobicContact CZ3-CZ3 4.01Å; W273-W276 WeakPolarHBondContact O-CB 3.29Å; W273-W276 PolarHBondContact O-N 3.25Å; W273-W276 VanDerWaalsContact O-N 3.07Å; K274-W276 VanDerWaalsContact C-N 3.35Å; W276-L278 PolarHBondContact O-N 3.38Å; W276-L278 VanDerWaalsContact O-N 3.13Å; W276-L279 HydrophobicContact CE3-CB 4.01Å; W276-L279 HydrophobicContact CZ3-CB 4.29Å; W276-L279 PolarHBondContact O-N 2.96Å; W276-K280 HydrophobicContact CD2-CB 4.26Å; W276-K280 HydrophobicContact CH2-CB 4.06Å; W276-K280 HydrophobicContact CH2-CG 4.23Å; W276-K280 HydrophobicContact CZ2-CB 3.75Å; W276-K280 HydrophobicContact CZ2-CD 4.26Å; W276-K280 HydrophobicContact CZ2-CG 3.7Å; W276-K280 HydrophobicContact CZ3-CB 4.44Å; W276-K280 WeakPolarHBondContact O-CB 3.39Å; W276-K280 PolarHBondContact O-N 3.4Å; W276-F283 HydrophobicContact CH2-CB 3.94Å; W276-F283 AromaticContact CH2-CD1 3.64Å; W276-F283 HydrophobicContact CH2-CD1 3.64Å; W276-F283 HydrophobicContact CH2-CE1 4.35Å; W276-F283 AromaticContact CH2-CG 3.9Å; W276-F283 HydrophobicContact CH2-CG 3.9Å; W276-F283 HydrophobicContact CZ3-CB 3.83Å; W276-F283 AromaticContact CZ3-CD1 3.92Å; W276-F283 HydrophobicContact CZ3-CD1 3.92Å; W276-F283 HydrophobicContact CZ3-CD2 4.33Å; W276-F283 AromaticContact CZ3-CG 3.77Å; W276-F283 HydrophobicContact CZ3-CG 3.77Å; W276-Y303 HydrophobicContact CH2-CE2 4.35Å; W276-L305 HydrophobicContact CD2-CD1 3.69Å; W276-L305 HydrophobicContact CE3-CD1 3.68Å; W276-L305 HydrophobicContact CH2-CD1 3.59Å; W276-L305 HydrophobicContact CZ2-CD1 3.57Å; W276-L305 HydrophobicContact CZ3-CD1 3.63Å; W276-F340 AromaticContact CE2-CD1 3.94Å; W276-F340 AromaticContact CE2-CG 3.94Å; W276-F340 HydrophobicContact CH2-CD1 4.45Å; W276-F340 AromaticContact CZ2-CD1 3.45Å; W276-F340 HydrophobicContact CZ2-CD1 3.45Å; W276-F340 VanDerWaalsContact CZ2-CD1 3.45Å; W276-F340 AromaticContact CZ2-CE1 3.64Å; W276-F340 HydrophobicContact CZ2-CE1 3.64Å; W276-F340 AromaticContact CZ2-CG 3.94Å; W276-F340 HydrophobicContact CZ2-CG 3.94Å; W276-F340 HydrophobicContact CZ2-CZ 4.3Å; W276-F340 AromaticContact NE1-CD1 3.95Å; W276-F340 AromaticContact NE1-CD2 3.69Å; W276-F340 AromaticContact NE1-CG 3.47Å
277P98.4Very high96.8Very high97 Ų9740.1 Ų40.163%0.6322%0.224SC*.Hα-helixtrans-55.4-33.1177.2-27.436.5000114S275S275-P277 VanDerWaalsContact C-N 3.31Å
278L98.6Very high96.7Very high28 Ų2844 Ų4415%0.14724%0.241CC..Hα-helixtrans-79.5-31.1178.7-55.4177.8000112.5A224 E225 F235 S275 W276A224-L278 HydrophobicContact CB-CD1 3.5Å; A224-L278 VanDerWaalsContact CB-CD1 3.5Å; A224-L278 HydrophobicContact CB-CD2 3.92Å; A224-L278 HydrophobicContact CB-CG 4.33Å; E225-L278 HydrophobicContact CG-CD1 4.47Å; F235-L278 HydrophobicContact CB-CB 3.63Å; F235-L278 HydrophobicContact CD1-CB 3.91Å; F235-L278 HydrophobicContact CD1-CD1 4.11Å; F235-L278 HydrophobicContact CD2-CD1 4.16Å; F235-L278 HydrophobicContact CE1-CD1 4.37Å; F235-L278 HydrophobicContact CE2-CD1 4.43Å; F235-L278 HydrophobicContact CG-CB 3.85Å; F235-L278 HydrophobicContact CG-CD1 4.01Å; S275-L278 WeakPolarHBondContact O-CB 3.14Å; S275-L278 PolarHBondContact O-N 3.25Å; W276-L278 PolarHBondContact O-N 3.38Å; W276-L278 VanDerWaalsContact O-N 3.13Å
279L98.8Very high96.7Very high0 Ų051.4 Ų51.40%027%0.273CS..Hα-helixtrans-79-33177.8-60.5173.5000112.6F235 A238 G239 L242 V272 W273 S275 W276 P281 G282 F283F235-L279 HydrophobicContact CD1-CD2 3.93Å; F235-L279 HydrophobicContact CD1-CG 4.46Å; F235-L279 WeakPolarHBondContact O-CD2 3.38Å; A238-L279 HydrophobicContact CB-CD2 3.82Å; G239-L279 WeakPolarHBondContact CA-O 3.31Å; L242-L279 HydrophobicContact CD1-CD1 4.25Å; L242-L279 HydrophobicContact CD1-CD2 4.44Å; V272-L279 HydrophobicContact CG1-CD1 4.24Å; V272-L279 HydrophobicContact CG1-CD2 4.35Å; W273-L279 HydrophobicContact CE3-CD1 4.16Å; W273-L279 HydrophobicContact CZ3-CD1 4.44Å; S275-L279 PolarHBondContact O-N 3.41Å; W276-L279 HydrophobicContact CE3-CB 4.01Å; W276-L279 HydrophobicContact CZ3-CB 4.29Å; W276-L279 PolarHBondContact O-N 2.96Å; L279-P281 VanDerWaalsContact C-CD 3.42Å; L279-G282 PolarHBondContact O-N 3.48Å; L279-F283 WeakPolarHBondContact O-CB 3.24Å; L279-F283 PolarHBondContact O-N 2.94Å
280K98.5Very high96.8Very high83 Ų8349.7 Ų49.736%0.36126%0.264SS..Hα-helixtrans-50.2-45.1-169.4177.5-179.4176.1-175.60114.4W276 G282 F283 T284 F340W276-K280 HydrophobicContact CD2-CB 4.26Å; W276-K280 HydrophobicContact CH2-CB 4.06Å; W276-K280 HydrophobicContact CH2-CG 4.23Å; W276-K280 HydrophobicContact CZ2-CB 3.75Å; W276-K280 HydrophobicContact CZ2-CD 4.26Å; W276-K280 HydrophobicContact CZ2-CG 3.7Å; W276-K280 HydrophobicContact CZ3-CB 4.44Å; W276-K280 WeakPolarHBondContact O-CB 3.39Å; W276-K280 PolarHBondContact O-N 3.4Å; K280-G282 PolarHBondContact O-N 3.19Å; K280-F283 PolarHBondContact O-N 3.4Å; K280-T284 WeakPolarHBondContact O-CB 3.09Å; K280-T284 PolarHBondContact O-N 3.32Å; K280-T284 PolarHBondContact O-OG1 3.47Å; K280-F340 HydrophobicContact CD-CE2 4.24Å; K280-F340 HydrophobicContact CD-CZ 4.25Å
281P97.3Very high97.1Very high77 Ų7748.4 Ų48.450%0.525%0.25SC..Hα-helixtrans-58.5-52.7-176.7-24.835.1000112L279 E285L279-P281 VanDerWaalsContact C-CD 3.42Å; P281-E285 WeakPolarHBondContact O-CB 3.37Å; P281-E285 PolarHBondContact O-N 3.04Å; P281-E285 VanDerWaalsContact O-N 3.12Å
282G98.3Very high97.2Very high0 Ų049.2 Ų49.20%026%0.256CS..Hα-helixtrans-69.3-36.2179.800000113.4R240 L279 K280 V286R240-G282 VanDerWaalsContact CG-CA 3.45Å; L279-G282 PolarHBondContact O-N 3.48Å; K280-G282 PolarHBondContact O-N 3.19Å; G282-V286 WeakPolarHBondContact O-CG2 3.44Å; G282-V286 PolarHBondContact O-N 2.93Å
283F98.6Very high96.9Very high0 Ų051.1 Ų51.10%027%0.269CS..Hα-helixtrans-65.2-47.4179-166.3-87000111.8L123 G239 L242 A243 V246 I266 W273 W276 L279 K280 V286 L287 Y303 L305L123-F283 HydrophobicContact CD2-CE2 3.65Å; L123-F283 HydrophobicContact CD2-CZ 4.1Å; G239-F283 WeakPolarHBondContact O-CA 3.33Å; G239-F283 WeakPolarHBondContact O-CD2 3.12Å; L242-F283 HydrophobicContact CB-CD2 3.99Å; L242-F283 HydrophobicContact CB-CE2 4.03Å; A243-F283 HydrophobicContact CB-CB 4.37Å; A243-F283 HydrophobicContact CB-CD1 4.36Å; A243-F283 HydrophobicContact CB-CD2 3.65Å; A243-F283 HydrophobicContact CB-CE2 3.94Å; A243-F283 HydrophobicContact CB-CG 3.88Å; A243-F283 HydrophobicContact CB-CZ 4.44Å; A243-F283 VanDerWaalsContact CB-O 3.29Å; A243-F283 WeakPolarHBondContact CB-O 3.05Å; V246-F283 HydrophobicContact CG2-CZ 4.23Å; I266-F283 HydrophobicContact CD1-CE1 4.33Å; I266-F283 HydrophobicContact CD1-CZ 4.12Å; W273-F283 HydrophobicContact CH2-CE2 4.03Å; W273-F283 HydrophobicContact CH2-CZ 4.43Å; W276-F283 HydrophobicContact CH2-CB 3.94Å; W276-F283 AromaticContact CH2-CD1 3.64Å; W276-F283 HydrophobicContact CH2-CD1 3.64Å; W276-F283 HydrophobicContact CH2-CE1 4.35Å; W276-F283 AromaticContact CH2-CG 3.9Å; W276-F283 HydrophobicContact CH2-CG 3.9Å; W276-F283 HydrophobicContact CZ3-CB 3.83Å; W276-F283 AromaticContact CZ3-CD1 3.92Å; W276-F283 HydrophobicContact CZ3-CD1 3.92Å; W276-F283 HydrophobicContact CZ3-CD2 4.33Å; W276-F283 AromaticContact CZ3-CG 3.77Å; W276-F283 HydrophobicContact CZ3-CG 3.77Å; L279-F283 WeakPolarHBondContact O-CB 3.24Å; L279-F283 PolarHBondContact O-N 2.94Å; K280-F283 PolarHBondContact O-N 3.4Å; F283-V286 PolarHBondContact O-N 3.26Å; F283-L287 HydrophobicContact CD1-CD1 3.9Å; F283-L287 HydrophobicContact CD1-CG 4.4Å; F283-L287 HydrophobicContact CE1-CD1 3.31Å; F283-L287 HydrophobicContact CE1-CG 4.17Å; F283-L287 HydrophobicContact CZ-CD1 3.94Å; F283-L287 PolarHBondContact O-N 3.23Å; F283-Y303 AromaticContact CD1-CE2 3.99Å; F283-Y303 HydrophobicContact CD1-CE2 3.99Å; F283-Y303 AromaticContact CD1-CZ 3.95Å; F283-Y303 HydrophobicContact CE1-CD2 4.14Å; F283-Y303 AromaticContact CE1-CE2 3.69Å; F283-Y303 HydrophobicContact CE1-CE2 3.69Å; F283-L305 HydrophobicContact CE1-CD2 4.27Å; F283-L305 HydrophobicContact CZ-CD2 4.46Å
284T97.8Very high96.5Very high14 Ų1459.4 Ų59.49%0.08631%0.308CS..Hα-helixtrans-67.1-43.6-178.9-51.50000111.2K280 V286 L287 E288 Y303K280-T284 WeakPolarHBondContact O-CB 3.09Å; K280-T284 PolarHBondContact O-N 3.32Å; K280-T284 PolarHBondContact O-OG1 3.47Å; T284-V286 VanDerWaalsContact C-N 3.29Å; T284-V286 PolarHBondContact O-N 3.48Å; T284-L287 PolarHBondContact O-N 2.76Å; T284-E288 HydrophobicContact CG2-CG 4.15Å; T284-E288 WeakPolarHBondContact O-CB 3.14Å; T284-E288 WeakPolarHBondContact O-CG 3.38Å; T284-E288 PolarHBondContact O-N 2.64Å; T284-Y303 PolarHBondContact OG1-OH 3.03Å
285E97.2Very high96.1Very high97 Ų9759 Ų5945%0.45331%0.307SS..Hα-helixtrans-51.1-47.9176.9-177-163149.200111.9R240 P281 K289R240-E285 IonicContact CZ-OE2 2.85Å; R240-E285 IonicContact NE-OE1 3.82Å; R240-E285 IonicContact NE-OE2 3.5Å; R240-E285 PolarHBondContact NE-OE2 2.91Å; R240-E285 IonicContact NH2-OE2 2.89Å; R240-E285 PolarHBondContact NH2-OE2 3.01Å; P281-E285 WeakPolarHBondContact O-CB 3.37Å; P281-E285 PolarHBondContact O-N 3.04Å; P281-E285 VanDerWaalsContact O-N 3.12Å; E285-K289 WeakPolarHBondContact O-CB 3.47Å; E285-K289 PolarHBondContact O-N 3.35Å
286V98.3Very high95.7Very high21 Ų2159.3 Ų59.313%0.12731%0.307CS..Hα-helixtrans-70.5-42.1-177.2169.60000111.9R240 A243 K244 G282 F283 T284 K289 A290R240-V286 HydrophobicContact CB-CG2 3.92Å; R240-V286 HydrophobicContact CG-CG2 4.07Å; A243-V286 HydrophobicContact CB-CB 3.58Å; A243-V286 HydrophobicContact CB-CG1 3.64Å; A243-V286 HydrophobicContact CB-CG2 4.42Å; K244-V286 HydrophobicContact CG-CG1 3.95Å; G282-V286 WeakPolarHBondContact O-CG2 3.44Å; G282-V286 PolarHBondContact O-N 2.93Å; F283-V286 PolarHBondContact O-N 3.26Å; T284-V286 VanDerWaalsContact C-N 3.29Å; T284-V286 PolarHBondContact O-N 3.48Å; V286-K289 PolarHBondContact O-N 3.37Å; V286-A290 PolarHBondContact O-N 2.98Å
287L97.3Very high95.1Very high0 Ų065.4 Ų65.40%034%0.335CS..Hα-helixtrans-71.9-34.4-179.5-64.8-170.8000112.7A243 V246 I266 F283 T284 K289 A290 A291 F300 Y303 F344A243-L287 HydrophobicContact CB-CD2 4.05Å; A243-L287 HydrophobicContact CB-CG 3.95Å; V246-L287 HydrophobicContact CB-CD2 4.16Å; V246-L287 HydrophobicContact CG1-CD2 4.13Å; I266-L287 HydrophobicContact CD1-CD1 4.34Å; F283-L287 HydrophobicContact CD1-CD1 3.9Å; F283-L287 HydrophobicContact CD1-CG 4.4Å; F283-L287 HydrophobicContact CE1-CD1 3.31Å; F283-L287 HydrophobicContact CE1-CG 4.17Å; F283-L287 HydrophobicContact CZ-CD1 3.94Å; F283-L287 PolarHBondContact O-N 3.23Å; T284-L287 PolarHBondContact O-N 2.76Å; L287-K289 VanDerWaalsContact C-N 3.33Å; L287-K289 PolarHBondContact O-N 2.95Å; L287-A290 PolarHBondContact O-N 3.42Å; L287-A291 WeakPolarHBondContact O-CB 3.35Å; L287-A291 PolarHBondContact O-N 3.36Å; L287-F300 HydrophobicContact CB-CE1 4.23Å; L287-F300 HydrophobicContact CB-CZ 4.45Å; L287-F300 HydrophobicContact CD1-CZ 4.39Å; L287-F300 HydrophobicContact CD2-CE1 4.47Å; L287-Y303 HydrophobicContact CB-CE1 4.48Å; L287-Y303 HydrophobicContact CD1-CD1 3.76Å; L287-Y303 HydrophobicContact CD1-CD2 4.34Å; L287-Y303 HydrophobicContact CD1-CE1 3.92Å; L287-Y303 HydrophobicContact CD1-CE2 4.5Å; L287-Y303 HydrophobicContact CD1-CG 3.96Å; L287-F344 HydrophobicContact CB-CE1 4.25Å; L287-F344 HydrophobicContact CB-CZ 3.76Å
288E95.9Very high94.5Very high84 Ų8464 Ų6439%0.39334%0.338SS..Hα-helixtrans-61.5-42.8171.9-78.3-178.216800111.7T284 A290 A291 S292 H342 F344T284-E288 HydrophobicContact CG2-CG 4.15Å; T284-E288 WeakPolarHBondContact O-CB 3.14Å; T284-E288 WeakPolarHBondContact O-CG 3.38Å; T284-E288 PolarHBondContact O-N 2.64Å; E288-A290 VanDerWaalsContact C-N 3.34Å; E288-A291 PolarHBondContact O-N 3.49Å; E288-S292 PolarHBondContact O-N 3.01Å; E288-S292 PolarHBondContact O-OG 3.45Å; E288-H342 IonicContact OE1-CE1 2.68Å; E288-H342 PolarHBondContact OE1-CE1 3.02Å; E288-H342 IonicContact OE1-NE2 2.61Å; E288-H342 PolarHBondContact OE1-NE2 3.03Å; E288-F344 HydrophobicContact CB-CD1 4.41Å; E288-F344 HydrophobicContact CB-CE1 4.36Å; E288-F344 HydrophobicContact CG-CD1 3.54Å; E288-F344 HydrophobicContact CG-CE1 3.56Å
289K95.7Very high94.1Very high166 Ų16667.8 Ų67.872%0.72235%0.35SS*.Hα-helixtrans-63.2-41174.4-174176.5-178.9175.90111.7E285 V286 L287 S292 S293E285-K289 WeakPolarHBondContact O-CB 3.47Å; E285-K289 PolarHBondContact O-N 3.35Å; V286-K289 PolarHBondContact O-N 3.37Å; L287-K289 VanDerWaalsContact C-N 3.33Å; L287-K289 PolarHBondContact O-N 2.95Å; K289-S292 PolarHBondContact O-N 3.44Å; K289-S293 PolarHBondContact O-N 3.13Å
290A94.9Very high93.8Very high16 Ų1668 Ų6813%0.13235%0.351CS..Hα-helixtrans-63.9-44.4175.800000111.8A247 L250 V286 L287 E288 S292 S293A247-A290 HydrophobicContact CB-CB 4.29Å; L250-A290 HydrophobicContact CD1-CB 4.35Å; V286-A290 PolarHBondContact O-N 2.98Å; L287-A290 PolarHBondContact O-N 3.42Å; E288-A290 VanDerWaalsContact C-N 3.34Å; A290-S292 PolarHBondContact O-N 3.2Å; A290-S293 VanDerWaalsContact O-CB 3.27Å; A290-S293 WeakPolarHBondContact O-CB 3.26Å; A290-S293 PolarHBondContact O-N 2.89Å; A290-S293 VanDerWaalsContact O-N 3.08Å; A290-S293 PolarHBondContact O-OG 2.97Å
291A93.7Very high93.4Very high9 Ų967.9 Ų67.97%0.07435%0.354CS..Hα-helixtrans-61.4-30.3176.600000112.9L287 E288 S293 L296 K297 F300 F344L287-A291 WeakPolarHBondContact O-CB 3.35Å; L287-A291 PolarHBondContact O-N 3.36Å; E288-A291 PolarHBondContact O-N 3.49Å; A291-S293 VanDerWaalsContact C-N 3.29Å; A291-S293 PolarHBondContact O-N 2.95Å; A291-L296 CarbonylContact O-C 3.55Å; A291-K297 VanDerWaalsContact O-CA 3.26Å; A291-K297 WeakPolarHBondContact O-CA 3.5Å; A291-K297 PolarHBondContact O-N 3.22Å; A291-F300 HydrophobicContact CB-CB 4.42Å; A291-F300 HydrophobicContact CB-CD1 3.63Å; A291-F300 HydrophobicContact CB-CE1 4.31Å; A291-F300 HydrophobicContact CB-CG 4.32Å; A291-F344 HydrophobicContact CB-CB 4.31Å; A291-F344 HydrophobicContact CB-CD1 4.44Å; A291-F344 HydrophobicContact CB-CD2 3.54Å; A291-F344 HydrophobicContact CB-CE2 3.9Å; A291-F344 HydrophobicContact CB-CG 3.84Å; A291-F344 HydrophobicContact CB-CZ 4.45Å
292S92.9Very high93.3Very high91 Ų9164.3 Ų64.364%0.63633%0.331SS*.THydrogen-bonded Turntrans-79.4-7.5177.4-59.40000114E288 K289 A290E288-S292 PolarHBondContact O-N 3.01Å; E288-S292 PolarHBondContact O-OG 3.45Å; K289-S292 PolarHBondContact O-N 3.44Å; A290-S292 PolarHBondContact O-N 3.2Å
293S92.3Very high93.3Very high45 Ų4564.3 Ų64.332%0.31533%0.331SS..SBendtrans-68.1148.517872.70000111.8K289 A290 A291 K295 L296 K297K289-S293 PolarHBondContact O-N 3.13Å; A290-S293 VanDerWaalsContact O-CB 3.27Å; A290-S293 WeakPolarHBondContact O-CB 3.26Å; A290-S293 PolarHBondContact O-N 2.89Å; A290-S293 VanDerWaalsContact O-N 3.08Å; A290-S293 PolarHBondContact O-OG 2.97Å; A291-S293 VanDerWaalsContact C-N 3.29Å; A291-S293 PolarHBondContact O-N 2.95Å; S293-K295 PolarHBondContact O-N 3.25Å; S293-L296 PolarHBondContact O-N 3.35Å; S293-K297 WeakPolarHBondContact O-CB 3.46Å; S293-K297 PolarHBondContact O-N 3.01Å
294E88.4Confident93.2Very high195 Ų19564.3 Ų64.391%0.91133%0.331SS*.THydrogen-bonded Turntrans-53.4-32-178.3-171176.4-170.200113.3
295K87.8Confident93.2Very high173 Ų17363.7 Ų63.775%0.75233%0.327SS*.THydrogen-bonded Turntrans-75.6-28.7-179.2-65.1-175.5179-178.20114.2S293 R299S293-K295 PolarHBondContact O-N 3.25Å; K295-R299 PolarHBondContact O-NH1 2.87Å
296L89.9Confident93.2Very high18 Ų1859.7 Ų59.79%0.09431%0.309CS..THydrogen-bonded Turntrans-115.1-10.9-171.5-66.3175.1000113.5L250 L258 A291 S293 G298 R299 F300L250-L296 HydrophobicContact CB-CD1 4.18Å; L250-L296 HydrophobicContact CD1-CD1 3.62Å; L258-L296 HydrophobicContact CD1-CD2 4.16Å; A291-L296 CarbonylContact O-C 3.55Å; S293-L296 PolarHBondContact O-N 3.35Å; L296-G298 PolarHBondContact O-N 3.35Å; L296-R299 PolarHBondContact O-N 3.2Å; L296-F300 HydrophobicContact CB-CB 4.1Å; L296-F300 PolarHBondContact O-N 3.38Å
297K87.4Confident93Very high160 Ų16062 Ų6270%0.69632%0.32SS*.THydrogen-bonded Turntrans-56.8122.9179.8-173.2176.8-178.41800110.9A291 S293 R299A291-K297 VanDerWaalsContact O-CA 3.26Å; A291-K297 WeakPolarHBondContact O-CA 3.5Å; A291-K297 PolarHBondContact O-N 3.22Å; S293-K297 WeakPolarHBondContact O-CB 3.46Å; S293-K297 PolarHBondContact O-N 3.01Å; K297-R299 PolarHBondContact O-N 3.47Å
298G85.6Confident92.8Very high67 Ų6763.9 Ų63.969%0.69133%0.33SS*.THydrogen-bonded Turntrans77.8-1-17800000115.2L296L296-G298 PolarHBondContact O-N 3.35Å
299R89.3Confident92.7Very high107 Ų10764.9 Ų64.940%0.40433%0.334SS..THydrogen-bonded Turntrans-111.4-43.1179-63.7173.163.7-1654112.2E255 L258 K295 L296 K297 L301E255-R299 WeakPolarHBondContact OE1-CB 3.45Å; E255-R299 WeakPolarHBondContact OE1-CG 3.34Å; E255-R299 IonicContact OE1-NE 3.32Å; E255-R299 PolarHBondContact OE1-NE 2.87Å; E255-R299 IonicContact OE2-CZ 2.64Å; E255-R299 IonicContact OE2-NE 3.1Å; E255-R299 PolarHBondContact OE2-NE 3.13Å; E255-R299 IonicContact OE2-NH2 3.47Å; E255-R299 PolarHBondContact OE2-NH2 3.16Å; L258-R299 CarbonylContact C-O 3.58Å; L258-R299 WeakPolarHBondContact CB-O 3.45Å; K295-R299 PolarHBondContact O-NH1 2.87Å; L296-R299 PolarHBondContact O-N 3.2Å; K297-R299 PolarHBondContact O-N 3.47Å; R299-L301 PolarHBondContact O-N 3.42Å
300F92.8Very high92.5Very high4 Ų460.6 Ų60.62%0.01832%0.317CS..  trans-89.195.8173.9-175.7-149.1000108.7L250 L258 L264 L287 A291 L296 G302 F344L250-F300 HydrophobicContact CD1-CD1 4.09Å; L250-F300 HydrophobicContact CD1-CE1 3.89Å; L250-F300 HydrophobicContact CD1-CZ 4.37Å; L258-F300 HydrophobicContact CD2-CD2 4.15Å; L264-F300 HydrophobicContact CB-CD2 4.38Å; L264-F300 HydrophobicContact CB-CE2 3.66Å; L264-F300 HydrophobicContact CD2-CE2 4.1Å; L264-F300 HydrophobicContact CD2-CZ 4.38Å; L287-F300 HydrophobicContact CB-CE1 4.23Å; L287-F300 HydrophobicContact CB-CZ 4.45Å; L287-F300 HydrophobicContact CD1-CZ 4.39Å; L287-F300 HydrophobicContact CD2-CE1 4.47Å; A291-F300 HydrophobicContact CB-CB 4.42Å; A291-F300 HydrophobicContact CB-CD1 3.63Å; A291-F300 HydrophobicContact CB-CE1 4.31Å; A291-F300 HydrophobicContact CB-CG 4.32Å; L296-F300 HydrophobicContact CB-CB 4.1Å; L296-F300 PolarHBondContact O-N 3.38Å; F300-G302 WeakPolarHBondContact CE2-O 3.29Å; F300-F344 HydrophobicContact CD1-CD2 4.27Å; F300-F344 AromaticContact CD1-CE2 3.66Å; F300-F344 HydrophobicContact CD1-CE2 3.66Å; F300-F344 HydrophobicContact CD1-CZ 4.43Å; F300-F344 AromaticContact CD2-CE2 3.99Å; F300-F344 HydrophobicContact CD2-CE2 3.99Å; F300-F344 HydrophobicContact CE1-CD2 4.41Å; F300-F344 AromaticContact CE1-CE2 3.4Å; F300-F344 HydrophobicContact CE1-CE2 3.4Å; F300-F344 AromaticContact CE1-CZ 3.79Å; F300-F344 HydrophobicContact CE1-CZ 3.79Å; F300-F344 AromaticContact CE2-CE2 3.74Å; F300-F344 HydrophobicContact CE2-CE2 3.74Å; F300-F344 HydrophobicContact CE2-CZ 4.49Å; F300-F344 HydrophobicContact CG-CD2 4.36Å; F300-F344 AromaticContact CG-CE2 3.95Å; F300-F344 HydrophobicContact CG-CE2 3.95Å; F300-F344 AromaticContact CZ-CE2 3.45Å; F300-F344 HydrophobicContact CZ-CE2 3.45Å; F300-F344 VanDerWaalsContact CZ-CE2 3.45Å; F300-F344 AromaticContact CZ-CZ 3.84Å; F300-F344 HydrophobicContact CZ-CZ 3.84Å; F300-F344 WeakPolarHBondContact O-CD2 3.34Å
301L91.3Very high92.3Very high82 Ų8260 Ų6043%0.42931%0.312SS..  trans-89.6-18.1-169.4-59.3-177.3000114L258 R299 S343 F344L258-L301 PolarHBondContact O-N 3.24Å; R299-L301 PolarHBondContact O-N 3.42Å; L301-S343 CarbonylContact O-C 3.41Å; L301-F344 PolarHBondContact O-N 3.18Å
302G95.2Very high92.2Very high2 Ų260 Ų602%0.02131%0.312CS..EExtended strand (participates in β ladder)trans169.1-176.2-17600000111.3G263 L264 F300 H342 F344G263-G302 WeakPolarHBondContact CA-O 3.4Å; L264-G302 PolarHBondContact N-O 3.15Å; F300-G302 WeakPolarHBondContact CE2-O 3.29Å; G302-H342 CarbonylContact C-O 3.57Å; G302-H342 WeakPolarHBondContact CA-O 3.26Å; G302-F344 VanDerWaalsContact CA-CD2 3.49Å; G302-F344 VanDerWaalsContact N-CD2 3.32Å
303Y96.8Very high92.3Very high0 Ų055.7 Ų55.70%028%0.281CS..EExtended strand (participates in β ladder)trans-142.9152.1172.367.8-83.5000111.2L262 L264 I266 W276 F283 T284 L287 L305 F340 Q341 H342 F344L262-Y303 CarbonylContact O-C 3.52Å; L264-Y303 WeakPolarHBondContact O-CA 3.33Å; I266-Y303 HydrophobicContact CD1-CD2 4.16Å; I266-Y303 HydrophobicContact CD1-CG 4.36Å; W276-Y303 HydrophobicContact CH2-CE2 4.35Å; F283-Y303 AromaticContact CD1-CE2 3.99Å; F283-Y303 HydrophobicContact CD1-CE2 3.99Å; F283-Y303 AromaticContact CD1-CZ 3.95Å; F283-Y303 HydrophobicContact CE1-CD2 4.14Å; F283-Y303 AromaticContact CE1-CE2 3.69Å; F283-Y303 HydrophobicContact CE1-CE2 3.69Å; T284-Y303 PolarHBondContact OG1-OH 3.03Å; L287-Y303 HydrophobicContact CB-CE1 4.48Å; L287-Y303 HydrophobicContact CD1-CD1 3.76Å; L287-Y303 HydrophobicContact CD1-CD2 4.34Å; L287-Y303 HydrophobicContact CD1-CE1 3.92Å; L287-Y303 HydrophobicContact CD1-CE2 4.5Å; L287-Y303 HydrophobicContact CD1-CG 3.96Å; Y303-L305 HydrophobicContact CD2-CD2 3.73Å; Y303-L305 HydrophobicContact CD2-CG 4.16Å; Y303-L305 HydrophobicContact CE2-CD2 3.87Å; Y303-L305 HydrophobicContact CE2-CG 4.04Å; Y303-F340 AromaticContact CE2-CD1 3.87Å; Y303-F340 HydrophobicContact CE2-CD1 3.87Å; Y303-F340 AromaticContact CE2-CE1 3.81Å; Y303-F340 HydrophobicContact CE2-CE1 3.81Å; Y303-F340 AromaticContact CZ-CE1 3.76Å; Y303-F340 WeakPolarHBondContact OH-CE1 3.1Å; Y303-Q341 WeakPolarHBondContact O-CA 3.44Å; Y303-H342 HydrophobicContact CD1-CB 4.06Å; Y303-H342 HydrophobicContact CE1-CB 3.6Å; Y303-H342 AromaticContact CE1-CD2 3.78Å; Y303-H342 AromaticContact CE1-CG 3.95Å; Y303-H342 PolarHBondContact N-O 2.86Å; Y303-H342 PolarHBondContact O-N 3.31Å; Y303-F344 HydrophobicContact CD1-CE1 4.11Å; Y303-F344 HydrophobicContact CD1-CE2 4.32Å; Y303-F344 AromaticContact CD1-CZ 3.55Å; Y303-F344 HydrophobicContact CD1-CZ 3.55Å; Y303-F344 HydrophobicContact CE1-CE1 4.1Å; Y303-F344 AromaticContact CE1-CZ 3.97Å; Y303-F344 HydrophobicContact CE1-CZ 3.97Å
304S96.8Very high92.5Very high0 Ų053.9 Ų53.90%027%0.268CS..EExtended strand (participates in β ladder)trans-122131.2170.5-66.20000109.5L262 L264 I266 F340 Q341L262-S304 VanDerWaalsContact O-CB 3.31Å; L262-S304 WeakPolarHBondContact O-CB 3.4Å; L262-S304 PolarHBondContact O-N 3.19Å; L262-S304 PolarHBondContact O-OG 3.24Å; L264-S304 PolarHBondContact O-N 2.99Å; I266-S304 PolarHBondContact N-O 3.1Å; S304-F340 CarbonylContact C-O 3.6Å; S304-F340 WeakPolarHBondContact CA-O 3.37Å; S304-Q341 WeakPolarHBondContact OG-CG 3.22Å
305L97.7Very high92.8Very high1 Ų144.6 Ų44.61%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-88.4127.7170.5-56.1-171.1000109.1I266 W273 W276 F283 Y303 I338 S339 F340I266-L305 HydrophobicContact CB-CD2 3.91Å; I266-L305 HydrophobicContact CD1-CD2 4.14Å; I266-L305 HydrophobicContact CG2-CD2 4.21Å; I266-L305 CarbonylContact O-C 3.51Å; I266-L305 WeakPolarHBondContact O-CA 3.47Å; W273-L305 HydrophobicContact CZ3-CD1 4.15Å; W276-L305 HydrophobicContact CD2-CD1 3.69Å; W276-L305 HydrophobicContact CE3-CD1 3.68Å; W276-L305 HydrophobicContact CH2-CD1 3.59Å; W276-L305 HydrophobicContact CZ2-CD1 3.57Å; W276-L305 HydrophobicContact CZ3-CD1 3.63Å; F283-L305 HydrophobicContact CE1-CD2 4.27Å; F283-L305 HydrophobicContact CZ-CD2 4.46Å; Y303-L305 HydrophobicContact CD2-CD2 3.73Å; Y303-L305 HydrophobicContact CD2-CG 4.16Å; Y303-L305 HydrophobicContact CE2-CD2 3.87Å; Y303-L305 HydrophobicContact CE2-CG 4.04Å; L305-I338 CarbonylContact O-C 3.51Å; L305-I338 WeakPolarHBondContact O-CA 3.46Å; L305-S339 PolarHBondContact O-N 3.48Å; L305-S339 PolarHBondContact O-OG 3.35Å; L305-F340 HydrophobicContact CB-CB 4.19Å; L305-F340 HydrophobicContact CD1-CB 4.19Å; L305-F340 HydrophobicContact CD1-CD1 4.23Å; L305-F340 HydrophobicContact CG-CB 4.24Å; L305-F340 HydrophobicContact CG-CD1 4.22Å; L305-F340 PolarHBondContact N-O 3.04Å
306L96.6Very high93.1Very high12 Ų1236.4 Ų36.46%0.06319%0.189CC..EExtended strand (participates in β ladder)trans-113.5144.3-179.2-57.7177.3000109.8P265 I266 L267 C268 K337 I338P265-L306 HydrophobicContact CB-CD1 3.74Å; I266-L306 PolarHBondContact O-N 3.41Å; L267-L306 HydrophobicContact CD1-CB 3.8Å; C268-L306 PolarHBondContact N-O 3.04Å; L306-K337 CarbonylContact C-O 3.6Å; L306-K337 WeakPolarHBondContact CA-O 3.32Å; L306-I338 HydrophobicContact CD2-CB 4.27Å; L306-I338 HydrophobicContact CD2-CG1 3.56Å
307I94.7Very high93.4Very high70 Ų7035.6 Ų35.636%0.35919%0.185SC..EExtended strand (participates in β ladder)trans-126.7126.3172.1-57.9175.9000108.3Q309 A336 K337I307-Q309 PolarHBondContact O-N 3.4Å; I307-Q309 PolarHBondContact O-NE2 3.44Å; I307-A336 WeakPolarHBondContact O-CA 3.43Å; I307-K337 PolarHBondContact N-O 2.95Å; I307-K337 PolarHBondContact O-N 2.86Å
308L93.1Very high93.8Very high40 Ų4028 Ų2821%0.20915%0.152CC..EExtended strand (participates in β ladder)trans-60.2133.9174.6-69-174.8000111A111 T114 A115 L267 Q310 N335 A336A111-L308 HydrophobicContact CB-CD1 4.34Å; T114-L308 HydrophobicContact CG2-CD1 4.48Å; T114-L308 HydrophobicContact CG2-CD2 3.82Å; A115-L308 HydrophobicContact CB-CD2 3.88Å; L267-L308 HydrophobicContact CD1-CD2 3.84Å; L267-L308 HydrophobicContact CD1-CG 3.85Å; L267-L308 HydrophobicContact CD2-CD1 4.23Å; L267-L308 HydrophobicContact CD2-CD2 4.03Å; L267-L308 HydrophobicContact CD2-CG 3.98Å; L267-L308 HydrophobicContact CG-CG 4.34Å; L308-Q310 WeakPolarHBondContact CB-O 3.24Å; L308-N335 WeakPolarHBondContact CA-O 3.45Å; L308-A336 HydrophobicContact CD2-CB 4.42Å
309Q93.6Very high94.2Very high105 Ų10526.2 Ų26.249%0.49113%0.126SC..SBendtrans-97.2-16.1169.3-58.6-56-6800111.7I307 A334 N335 K337I307-Q309 PolarHBondContact O-N 3.4Å; I307-Q309 PolarHBondContact O-NE2 3.44Å; Q309-A334 WeakPolarHBondContact CB-O 3.47Å; Q309-N335 PolarHBondContact N-O 3.45Å; Q309-K337 HydrophobicContact CG-CB 4.09Å
310Q91.6Very high94.5Very high75 Ų7521.1 Ų21.135%0.3511%0.107SC..SBendtrans-123.5161.9-179.2-59.5-60.4-22.100110.9L308 L314L308-Q310 WeakPolarHBondContact CB-O 3.24Å; Q310-L314 HydrophobicContact CB-CD1 4.06Å; Q310-L314 HydrophobicContact CB-CD2 3.82Å; Q310-L314 HydrophobicContact CG-CD2 4.08Å
311S91.5Very high94.6Very high4 Ų421 Ų213%0.02811%0.106CC..  trans-62.9145.7175.6173.60000111.2E9 A313 L314E9-S311 WeakPolarHBondContact OE2-CB 3.43Å; E9-S311 PolarHBondContact OE2-OG 2.94Å; S311-A313 PolarHBondContact O-N 2.97Å; S311-A313 VanDerWaalsContact O-N 3.08Å; S311-A313 VanDerWaalsContact OG-CB 3.27Å; S311-A313 WeakPolarHBondContact OG-CB 3.25Å; S311-A313 PolarHBondContact OG-N 3.31Å; S311-L314 WeakPolarHBondContact O-CD1 3.48Å; S311-L314 PolarHBondContact O-N 2.9Å; S311-L314 VanDerWaalsContact O-N 3.09Å
312S91.8Very high94.7Very high10 Ų1022 Ų227%0.0711%0.109CC..THydrogen-bonded Turntrans-65.5-10.6173.759.90000113.3E9 T114 L314 G315 G316E9-S312 WeakPolarHBondContact CB-OG 3.32Å; E9-S312 WeakPolarHBondContact CG-OG 3.47Å; T114-S312 VanDerWaalsContact OG1-CA 3.3Å; T114-S312 WeakPolarHBondContact OG1-CA 3.43Å; T114-S312 PolarHBondContact OG1-O 3.22Å; S312-L314 PolarHBondContact O-N 3.43Å; S312-G315 PolarHBondContact O-N 2.98Å; S312-G316 PolarHBondContact O-N 2.82Å
313A94.9Very high94.6Very high0 Ų027.6 Ų27.60%013%0.134CC..Hα-helixtrans-54.6-33.3168.300000112.1G7 E9 V18 S311 G316 A317G7-A313 VanDerWaalsContact CA-O 3.22Å; G7-A313 WeakPolarHBondContact CA-O 3.29Å; E9-A313 HydrophobicContact CB-CB 4.09Å; V18-A313 HydrophobicContact CB-CB 4.03Å; V18-A313 HydrophobicContact CG2-CB 3.72Å; S311-A313 PolarHBondContact O-N 2.97Å; S311-A313 VanDerWaalsContact O-N 3.08Å; S311-A313 VanDerWaalsContact OG-CB 3.27Å; S311-A313 WeakPolarHBondContact OG-CB 3.25Å; S311-A313 PolarHBondContact OG-N 3.31Å; A313-G316 WeakPolarHBondContact O-CA 3.47Å; A313-G316 PolarHBondContact O-N 3.13Å; A313-A317 PolarHBondContact O-N 3.31Å
314L95.6Very high94.5Very high7 Ų730.9 Ų30.94%0.03715%0.149CC..Hα-helixtrans-61.5-47.1176.7-83.574000111.2V18 L20 T114 Q310 S311 S312 G316 A317 S318 M330V18-L314 HydrophobicContact CB-CD1 4.11Å; V18-L314 HydrophobicContact CG1-CD1 3.75Å; V18-L314 HydrophobicContact CG1-CG 4.25Å; V18-L314 HydrophobicContact CG2-CD1 3.83Å; L20-L314 HydrophobicContact CD2-CG 4.42Å; T114-L314 HydrophobicContact CG2-CB 4.13Å; Q310-L314 HydrophobicContact CB-CD1 4.06Å; Q310-L314 HydrophobicContact CB-CD2 3.82Å; Q310-L314 HydrophobicContact CG-CD2 4.08Å; S311-L314 WeakPolarHBondContact O-CD1 3.48Å; S311-L314 PolarHBondContact O-N 2.9Å; S311-L314 VanDerWaalsContact O-N 3.09Å; S312-L314 PolarHBondContact O-N 3.43Å; L314-G316 VanDerWaalsContact C-N 3.3Å; L314-G316 PolarHBondContact O-N 3.49Å; L314-A317 PolarHBondContact O-N 3.48Å; L314-S318 WeakPolarHBondContact O-CB 3.41Å; L314-S318 PolarHBondContact O-N 2.95Å; L314-M330 HydrophobicContact CB-CE 4.16Å
315G94.4Very high94.4Very high0 Ų034.2 Ų34.20%018%0.184CC..Hα-helixtrans-62-39.4173.800000111.8T114 S312 A317 S318 L319T114-G315 WeakPolarHBondContact OG1-CA 3.35Å; T114-G315 PolarHBondContact OG1-N 3.1Å; S312-G315 PolarHBondContact O-N 2.98Å; G315-A317 PolarHBondContact O-N 2.8Å; G315-S318 PolarHBondContact O-N 3.16Å; G315-L319 WeakPolarHBondContact O-CB 3.36Å; G315-L319 WeakPolarHBondContact O-CD1 3.44Å; G315-L319 WeakPolarHBondContact O-CG 3.32Å; G315-L319 PolarHBondContact O-N 2.89Å
316G94.8Very high94.3Very high0 Ų036.1 Ų36.10%019%0.192CC..Hα-helixtrans-54.8-51.3171.200000112.7G72 S74 S312 A313 L314 S318 L319 G320G72-G316 WeakPolarHBondContact CA-O 3.45Å; S74-G316 WeakPolarHBondContact OG-CA 3.34Å; S312-G316 PolarHBondContact O-N 2.82Å; A313-G316 WeakPolarHBondContact O-CA 3.47Å; A313-G316 PolarHBondContact O-N 3.13Å; L314-G316 VanDerWaalsContact C-N 3.3Å; L314-G316 PolarHBondContact O-N 3.49Å; G316-S318 PolarHBondContact O-N 3.49Å; G316-L319 PolarHBondContact O-N 3.24Å; G316-G320 PolarHBondContact O-N 3.35Å
317A96.4Very high93.9Very high1 Ų140.1 Ų40.11%0.00822%0.221CC..Hα-helixtrans-60.2-45.1177.400000112.3G6 L20 A313 L314 G315 G320 A321G6-A317 WeakPolarHBondContact O-CA 3.28Å; L20-A317 HydrophobicContact CD1-CB 3.7Å; L20-A317 HydrophobicContact CG-CB 4.36Å; A313-A317 PolarHBondContact O-N 3.31Å; L314-A317 PolarHBondContact O-N 3.48Å; G315-A317 PolarHBondContact O-N 2.8Å; A317-G320 PolarHBondContact O-N 3.34Å; A317-A321 WeakPolarHBondContact O-CB 3.48Å; A317-A321 PolarHBondContact O-N 2.97Å
318S95.1Very high93.8Very high1 Ų137.2 Ų37.21%0.00721%0.206CC..Hα-helixtrans-60.5-49.3178.1-179.30000111.8L314 G315 G316 G320 A321 Q322L314-S318 WeakPolarHBondContact O-CB 3.41Å; L314-S318 PolarHBondContact O-N 2.95Å; G315-S318 PolarHBondContact O-N 3.16Å; G316-S318 PolarHBondContact O-N 3.49Å; S318-G320 PolarHBondContact O-N 3.18Å; S318-A321 WeakPolarHBondContact O-CB 3.38Å; S318-A321 PolarHBondContact O-N 3.5Å; S318-Q322 VanDerWaalsContact O-CG 3.29Å; S318-Q322 WeakPolarHBondContact O-CG 3.49Å; S318-Q322 PolarHBondContact O-N 2.81Å; S318-Q322 PolarHBondContact OG-NE2 2.85Å
319L93.6Very high93.8Very high30 Ų3038.5 Ų38.516%0.15722%0.219CC..Hα-helixtrans-63.1-41.4178.2-69163.2000112.1F103 T105 I109 A113 G315 G316 A321 Q322 H323F103-L319 HydrophobicContact CD1-CB 4.06Å; F103-L319 HydrophobicContact CE1-CB 3.58Å; F103-L319 HydrophobicContact CE1-CD1 4.46Å; F103-L319 HydrophobicContact CZ-CB 4.45Å; T105-L319 HydrophobicContact CG2-CD1 3.97Å; I109-L319 HydrophobicContact CG2-CD1 3.51Å; I109-L319 HydrophobicContact CG2-CD2 4.37Å; A113-L319 HydrophobicContact CB-CD1 3.52Å; A113-L319 HydrophobicContact CB-CD2 3.87Å; A113-L319 HydrophobicContact CB-CG 3.6Å; G315-L319 WeakPolarHBondContact O-CB 3.36Å; G315-L319 WeakPolarHBondContact O-CD1 3.44Å; G315-L319 WeakPolarHBondContact O-CG 3.32Å; G315-L319 PolarHBondContact O-N 2.89Å; G316-L319 PolarHBondContact O-N 3.24Å; L319-A321 VanDerWaalsContact C-N 3.35Å; L319-Q322 PolarHBondContact O-N 3.12Å; L319-H323 WeakPolarHBondContact O-CB 3.09Å; L319-H323 PolarHBondContact O-N 3.28Å
320G95.1Very high93.8Very high0 Ų035.1 Ų35.10%020%0.203CC..Hα-helixtrans-60-46.4175.200000111.5C70 G316 A317 S318 H323 F324C70-G320 PolarHBondContact SG-O 2.92Å; G316-G320 PolarHBondContact O-N 3.35Å; A317-G320 PolarHBondContact O-N 3.34Å; S318-G320 PolarHBondContact O-N 3.18Å; G320-H323 PolarHBondContact O-N 3.24Å; G320-F324 WeakPolarHBondContact O-CD2 3.45Å; G320-F324 PolarHBondContact O-N 3.23Å
321A95.3Very high93.9Very high0 Ų036.4 Ų36.40%021%0.213CC..Hα-helixtrans-58.7-50.9175.300000111.8Y5 A317 S318 L319 H323 F324 G325 F326 V328Y5-A321 HydrophobicContact CD1-CB 3.65Å; Y5-A321 HydrophobicContact CE1-CB 3.86Å; Y5-A321 HydrophobicContact CG-CB 4.4Å; A317-A321 WeakPolarHBondContact O-CB 3.48Å; A317-A321 PolarHBondContact O-N 2.97Å; S318-A321 WeakPolarHBondContact O-CB 3.38Å; S318-A321 PolarHBondContact O-N 3.5Å; L319-A321 VanDerWaalsContact C-N 3.35Å; A321-H323 VanDerWaalsContact C-N 3.34Å; A321-H323 PolarHBondContact O-N 2.85Å; A321-F324 PolarHBondContact O-N 3.4Å; A321-G325 PolarHBondContact O-N 3.08Å; A321-F326 CarbonylContact C-O 3.59Å; A321-F326 VanDerWaalsContact C-O 3.29Å; A321-F326 HydrophobicContact CB-CB 4.05Å; A321-F326 WeakPolarHBondContact O-CA 3.21Å; A321-F326 WeakPolarHBondContact O-CB 3.41Å; A321-F326 PolarHBondContact O-N 2.73Å; A321-V328 HydrophobicContact CB-CB 4.37Å; A321-V328 HydrophobicContact CB-CG2 3.5Å
322Q93Very high94Very high103 Ų10339 Ų3948%0.48122%0.222SC..Hα-helixtrans-59.5-41.8-179.3-71.9173.9800112.5S318 L319 F324 G325 F326S318-Q322 VanDerWaalsContact O-CG 3.29Å; S318-Q322 WeakPolarHBondContact O-CG 3.49Å; S318-Q322 PolarHBondContact O-N 2.81Å; S318-Q322 PolarHBondContact OG-NE2 2.85Å; L319-Q322 PolarHBondContact O-N 3.12Å; Q322-F324 PolarHBondContact O-N 3.36Å; Q322-G325 PolarHBondContact O-N 3.3Å; Q322-F326 WeakPolarHBondContact CA-O 3.44Å; Q322-F326 PolarHBondContact N-O 2.93Å
323H93.9Very high93.9Very high120 Ų12041.6 Ų41.656%0.55625%0.251SS*.Hα-helixtrans-57.5-34.7179.4-174.782.4000112.7F103 L319 G320 A321F103-H323 HydrophobicContact CD2-CB 3.81Å; F103-H323 AromaticContact CD2-CD2 3.97Å; F103-H323 AromaticContact CD2-CG 3.56Å; F103-H323 AromaticContact CD2-ND1 3.75Å; F103-H323 HydrophobicContact CE2-CB 4.12Å; F103-H323 AromaticContact CE2-CG 3.85Å; F103-H323 AromaticContact CE2-ND1 3.6Å; F103-H323 HydrophobicContact CG-CB 4.28Å; L319-H323 WeakPolarHBondContact O-CB 3.09Å; L319-H323 PolarHBondContact O-N 3.28Å; G320-H323 PolarHBondContact O-N 3.24Å; A321-H323 VanDerWaalsContact C-N 3.34Å; A321-H323 PolarHBondContact O-N 2.85Å
324F95.5Very high93.8Very high69 Ų6943.8 Ų43.830%0.30327%0.269SS..THydrogen-bonded Turntrans-98.116.1178.7-67.9-77.3000113.5H101 Y102 F103 G320 A321 Q322 F326H101-F324 HydrophobicContact CB-CD1 4.2Å; H101-F324 HydrophobicContact CB-CD2 3.65Å; H101-F324 HydrophobicContact CB-CE1 4.17Å; H101-F324 HydrophobicContact CB-CE2 3.63Å; H101-F324 HydrophobicContact CB-CG 3.95Å; H101-F324 HydrophobicContact CB-CZ 3.9Å; H101-F324 AromaticContact CG-CD1 3.88Å; H101-F324 AromaticContact CG-CG 3.92Å; H101-F324 AromaticContact ND1-CD1 3.48Å; H101-F324 WeakPolarHBondContact ND1-CD1 3.37Å; H101-F324 AromaticContact ND1-CE1 3.52Å; Y102-F324 WeakPolarHBondContact O-CE2 3.27Å; Y102-F324 WeakPolarHBondContact O-CZ 3.13Å; F103-F324 HydrophobicContact CB-CE2 4.34Å; G320-F324 WeakPolarHBondContact O-CD2 3.45Å; G320-F324 PolarHBondContact O-N 3.23Å; A321-F324 PolarHBondContact O-N 3.4Å; Q322-F324 PolarHBondContact O-N 3.36Å; F324-F326 VanDerWaalsContact C-N 3.3Å; F324-F326 HydrophobicContact CB-CD2 3.78Å; F324-F326 HydrophobicContact CB-CE2 3.41Å; F324-F326 VanDerWaalsContact CB-CE2 3.41Å; F324-F326 HydrophobicContact CB-CZ 4.05Å; F324-F326 HydrophobicContact CG-CE2 4.44Å; F324-F326 PolarHBondContact O-N 2.98Å
325G94.4Very high93.7Very high71 Ų7143.9 Ų43.973%0.73227%0.269SS*.THydrogen-bonded Turntrans74.717.2176.600000114.4A321 Q322A321-G325 PolarHBondContact O-N 3.08Å; Q322-G325 PolarHBondContact O-N 3.3Å
326F94.8Very high93.7Very high41 Ų4144.4 Ų44.418%0.1827%0.274CS..  trans-93.5153.6172.6-48.6-48.8000110.5Y5 R69 H101 A321 Q322 F324Y5-F326 HydrophobicContact CE1-CB 3.65Å; Y5-F326 AromaticContact CE1-CD2 3.86Å; Y5-F326 HydrophobicContact CE1-CD2 3.86Å; Y5-F326 AromaticContact CE1-CG 3.93Å; Y5-F326 HydrophobicContact CE1-CG 3.93Å; R69-F326 HydrophobicContact CG-CD2 4.09Å; R69-F326 HydrophobicContact CG-CE2 3.94Å; R69-F326 HydrophobicContact CG-CZ 4.36Å; R69-F326 VanDerWaalsContact CZ-CZ 3.44Å; H101-F326 AromaticContact CD2-CE2 3.8Å; A321-F326 CarbonylContact C-O 3.59Å; A321-F326 VanDerWaalsContact C-O 3.29Å; A321-F326 HydrophobicContact CB-CB 4.05Å; A321-F326 WeakPolarHBondContact O-CA 3.21Å; A321-F326 WeakPolarHBondContact O-CB 3.41Å; A321-F326 PolarHBondContact O-N 2.73Å; Q322-F326 WeakPolarHBondContact CA-O 3.44Å; Q322-F326 PolarHBondContact N-O 2.93Å; F324-F326 VanDerWaalsContact C-N 3.3Å; F324-F326 HydrophobicContact CB-CD2 3.78Å; F324-F326 HydrophobicContact CB-CE2 3.41Å; F324-F326 VanDerWaalsContact CB-CE2 3.41Å; F324-F326 HydrophobicContact CB-CZ 4.05Å; F324-F326 HydrophobicContact CG-CE2 4.44Å; F324-F326 PolarHBondContact O-N 2.98Å
327S88.3Confident93.7Very high95 Ų9550.6 Ų50.666%0.66430%0.301SS*.  trans-111.7131.5175.4-171.10000109.8
328V92.7Very high93.7Very high9 Ų954.1 Ų54.16%0.05532%0.319CS..  trans-122123.2168.8175.10000106.5Y5 L20 G22 A321Y5-V328 HydrophobicContact CD1-CG2 4Å; Y5-V328 HydrophobicContact CD2-CG2 3.58Å; Y5-V328 HydrophobicContact CE1-CG2 4.29Å; Y5-V328 HydrophobicContact CE2-CG2 3.91Å; Y5-V328 HydrophobicContact CG-CG2 3.64Å; L20-V328 HydrophobicContact CB-CG1 4.46Å; L20-V328 HydrophobicContact CD1-CG1 3.95Å; G22-V328 WeakPolarHBondContact O-CA 3.47Å; A321-V328 HydrophobicContact CB-CB 4.37Å; A321-V328 HydrophobicContact CB-CG2 3.5Å
329S93.8Very high93.8Very high68 Ų6856.7 Ų56.748%0.47634%0.337SS..  trans-67.4135.2175.2-600000110.4G22 G24G22-S329 PolarHBondContact O-N 3.27Å; G22-S329 VanDerWaalsContact O-N 3.12Å; G24-S329 WeakPolarHBondContact CA-O 3.38Å
330M94.2Very high94Very high33 Ų3356.9 Ų56.916%0.16334%0.336CS..  trans-121.4129.5179.5-69.4-70.2-78.900109.4L314 Y332 N335L314-M330 HydrophobicContact CB-CE 4.16Å; M330-Y332 HydrophobicContact CB-CD1 4.33Å; M330-Y332 HydrophobicContact CB-CD2 4.4Å; M330-Y332 HydrophobicContact CB-CE1 3.81Å; M330-Y332 HydrophobicContact CB-CE2 3.9Å; M330-Y332 HydrophobicContact CE-CE1 4.28Å; M330-Y332 HydrophobicContact CG-CE1 4.35Å; M330-Y332 PolarHBondContact O-N 3.38Å; M330-N335 WeakPolarHBondContact CE-ND2 3.27Å
331D93.8Very high94Very high103 Ų10361.2 Ų61.255%0.55136%0.357SS*.  trans-93.582.8170.5-173.9-11.1000109.6G333 A334 N335D331-G333 PolarHBondContact O-N 3.02Å; D331-G333 PolarHBondContact OD1-N 3.2Å; D331-A334 HydrophobicContact CB-CB 4Å; D331-A334 VanDerWaalsContact CG-CB 3.43Å; D331-A334 PolarHBondContact O-N 3.43Å; D331-A334 VanDerWaalsContact O-N 3.1Å; D331-A334 PolarHBondContact OD1-N 3.13Å; D331-A334 WeakPolarHBondContact OD2-CB 3.48Å; D331-N335 WeakPolarHBondContact O-CB 3.36Å; D331-N335 PolarHBondContact O-N 3.1Å; D331-N335 PolarHBondContact O-ND2 3.35Å; D331-N335 PolarHBondContact O-OD1 2.63Å
332Y92.1Very high94.1Very high57 Ų5763.2 Ų63.222%0.22437%0.366CS..Hα-helixtrans-59.6-29.2-179.2-63.4-63.5000113T114 D117 M330 N335 A336T114-Y332 WeakPolarHBondContact O-CD1 3.43Å; D117-Y332 HydrophobicContact CB-CE2 3.67Å; D117-Y332 WeakPolarHBondContact CB-OH 3.33Å; M330-Y332 HydrophobicContact CB-CD1 4.33Å; M330-Y332 HydrophobicContact CB-CD2 4.4Å; M330-Y332 HydrophobicContact CB-CE1 3.81Å; M330-Y332 HydrophobicContact CB-CE2 3.9Å; M330-Y332 HydrophobicContact CE-CE1 4.28Å; M330-Y332 HydrophobicContact CG-CE1 4.35Å; M330-Y332 PolarHBondContact O-N 3.38Å; Y332-N335 PolarHBondContact O-N 3.11Å; Y332-A336 PolarHBondContact O-N 2.59Å; Y332-A336 VanDerWaalsContact O-N 3.17Å
333G90.2Very high94.1Very high66 Ų6661.9 Ų61.968%0.6837%0.368SS*.Hα-helixtrans-69.6-34.7176.500000112.9D331D331-G333 PolarHBondContact O-N 3.02Å; D331-G333 PolarHBondContact OD1-N 3.2Å
334A92.4Very high93.9Very high45 Ų4558 Ų5837%0.37235%0.349SS..Hα-helixtrans-79.6-28.1171.500000113Q309 D331Q309-A334 WeakPolarHBondContact CB-O 3.47Å; D331-A334 HydrophobicContact CB-CB 4Å; D331-A334 VanDerWaalsContact CG-CB 3.43Å; D331-A334 PolarHBondContact O-N 3.43Å; D331-A334 VanDerWaalsContact O-N 3.1Å; D331-A334 PolarHBondContact OD1-N 3.13Å; D331-A334 WeakPolarHBondContact OD2-CB 3.48Å
335N94.1Very high92.6Very high9 Ų958.7 Ų58.75%0.04838%0.376CS..Hα-helixtrans-78.5-30.4-174.6-69.4-12.8000114T114 L308 Q309 M330 D331 Y332T114-N335 HydrophobicContact CG2-CB 4.19Å; T114-N335 WeakPolarHBondContact O-CB 3.41Å; T114-N335 PolarHBondContact O-ND2 3.35Å; T114-N335 VanDerWaalsContact O-ND2 3.11Å; L308-N335 WeakPolarHBondContact CA-O 3.45Å; Q309-N335 PolarHBondContact N-O 3.45Å; M330-N335 WeakPolarHBondContact CE-ND2 3.27Å; D331-N335 WeakPolarHBondContact O-CB 3.36Å; D331-N335 PolarHBondContact O-N 3.1Å; D331-N335 PolarHBondContact O-ND2 3.35Å; D331-N335 PolarHBondContact O-OD1 2.63Å; Y332-N335 PolarHBondContact O-N 3.11Å
336A94.4Very high90.7Very high12 Ų1258.1 Ų58.110%0.09937%0.37CS..EExtended strand (participates in β ladder)trans-138.4137.3-179.100000111.7A115 I307 L308 Y332A115-A336 HydrophobicContact CB-CB 3.8Å; I307-A336 WeakPolarHBondContact O-CA 3.43Å; L308-A336 HydrophobicContact CD2-CB 4.42Å; Y332-A336 PolarHBondContact O-N 2.59Å; Y332-A336 VanDerWaalsContact O-N 3.17Å
337K95.4Very high87.8Confident129 Ų12961 Ų6156%0.56140%0.395SS*.EExtended strand (participates in β ladder)trans-104.3133.3176.3179.1-179.3176-177.80110.1L306 I307 Q309 S339L306-K337 CarbonylContact C-O 3.6Å; L306-K337 WeakPolarHBondContact CA-O 3.32Å; I307-K337 PolarHBondContact N-O 2.95Å; I307-K337 PolarHBondContact O-N 2.86Å; Q309-K337 HydrophobicContact CG-CB 4.09Å; K337-S339 PolarHBondContact O-N 3.24Å
338I96Very high85.1Confident75 Ų7562.1 Ų62.139%0.38540%0.403SS..EExtended strand (participates in β ladder)trans-70.1112.7166.2-56.9162.7000108.1L262 L305 L306 Q341L262-I338 HydrophobicContact CD2-CD1 3.51Å; L262-I338 HydrophobicContact CD2-CG1 4.38Å; L305-I338 CarbonylContact O-C 3.51Å; L305-I338 WeakPolarHBondContact O-CA 3.46Å; L306-I338 HydrophobicContact CD2-CB 4.27Å; L306-I338 HydrophobicContact CD2-CG1 3.56Å; I338-Q341 HydrophobicContact CG2-CB 4.36Å
339S96.4Very high82.2Confident55 Ų5574 Ų7439%0.38546%0.458SS..EExtended strand (participates in β ladder)trans-91.1-24.8177.760.80000112.6L305 K337L305-S339 PolarHBondContact O-N 3.48Å; L305-S339 PolarHBondContact O-OG 3.35Å; K337-S339 PolarHBondContact O-N 3.24Å
340F97.4Very high81.6Confident35 Ų3574.3 Ų74.315%0.15446%0.457CS..EExtended strand (participates in β ladder)trans-160.8146.6179.5178.6-102.8000110W276 K280 Y303 S304 L305 H342W276-F340 AromaticContact CE2-CD1 3.94Å; W276-F340 AromaticContact CE2-CG 3.94Å; W276-F340 HydrophobicContact CH2-CD1 4.45Å; W276-F340 AromaticContact CZ2-CD1 3.45Å; W276-F340 HydrophobicContact CZ2-CD1 3.45Å; W276-F340 VanDerWaalsContact CZ2-CD1 3.45Å; W276-F340 AromaticContact CZ2-CE1 3.64Å; W276-F340 HydrophobicContact CZ2-CE1 3.64Å; W276-F340 AromaticContact CZ2-CG 3.94Å; W276-F340 HydrophobicContact CZ2-CG 3.94Å; W276-F340 HydrophobicContact CZ2-CZ 4.3Å; W276-F340 AromaticContact NE1-CD1 3.95Å; W276-F340 AromaticContact NE1-CD2 3.69Å; W276-F340 AromaticContact NE1-CG 3.47Å; K280-F340 HydrophobicContact CD-CE2 4.24Å; K280-F340 HydrophobicContact CD-CZ 4.25Å; Y303-F340 AromaticContact CE2-CD1 3.87Å; Y303-F340 HydrophobicContact CE2-CD1 3.87Å; Y303-F340 AromaticContact CE2-CE1 3.81Å; Y303-F340 HydrophobicContact CE2-CE1 3.81Å; Y303-F340 AromaticContact CZ-CE1 3.76Å; Y303-F340 WeakPolarHBondContact OH-CE1 3.1Å; S304-F340 CarbonylContact C-O 3.6Å; S304-F340 WeakPolarHBondContact CA-O 3.37Å; L305-F340 HydrophobicContact CB-CB 4.19Å; L305-F340 HydrophobicContact CD1-CB 4.19Å; L305-F340 HydrophobicContact CD1-CD1 4.23Å; L305-F340 HydrophobicContact CG-CB 4.24Å; L305-F340 HydrophobicContact CG-CD1 4.22Å; L305-F340 PolarHBondContact N-O 3.04Å; F340-H342 HydrophobicContact CE1-CB 3.58Å; F340-H342 HydrophobicContact CZ-CB 3.85Å
341Q96.5Very high80.9Confident91 Ų9176.4 Ų76.443%0.42547%0.473SS..EExtended strand (participates in β ladder)trans-138.7139.7174.6-17617113.400109.3E261 Y303 S304 I338E261-Q341 PolarHBondContact O-NE2 3.46Å; E261-Q341 VanDerWaalsContact O-NE2 3.12Å; Y303-Q341 WeakPolarHBondContact O-CA 3.44Å; S304-Q341 WeakPolarHBondContact OG-CG 3.22Å; I338-Q341 HydrophobicContact CG2-CB 4.36Å
342H96Very high80.2Confident41 Ų4174.9 Ų74.919%0.1947%0.468CS..EExtended strand (participates in β ladder)trans-140.7132.1178.3-173.882000110.5E288 G302 Y303 F340 F344E288-H342 IonicContact OE1-CE1 2.68Å; E288-H342 PolarHBondContact OE1-CE1 3.02Å; E288-H342 IonicContact OE1-NE2 2.61Å; E288-H342 PolarHBondContact OE1-NE2 3.03Å; G302-H342 CarbonylContact C-O 3.57Å; G302-H342 WeakPolarHBondContact CA-O 3.26Å; Y303-H342 HydrophobicContact CD1-CB 4.06Å; Y303-H342 HydrophobicContact CE1-CB 3.6Å; Y303-H342 AromaticContact CE1-CD2 3.78Å; Y303-H342 AromaticContact CE1-CG 3.95Å; Y303-H342 PolarHBondContact N-O 2.86Å; Y303-H342 PolarHBondContact O-N 3.31Å; F340-H342 HydrophobicContact CE1-CB 3.58Å; F340-H342 HydrophobicContact CZ-CB 3.85Å; H342-F344 AromaticContact CD2-CD1 3.63Å; H342-F344 AromaticContact CD2-CE1 3.5Å; H342-F344 AromaticContact NE2-CD1 3.86Å; H342-F344 AromaticContact NE2-CE1 3.98Å
343S94Very high79.5Confident75 Ų7576 Ų7652%0.52448%0.483SS..EExtended strand (participates in β ladder)trans-111.3132177.8-57.80000110.1L301 G345L301-S343 CarbonylContact O-C 3.41Å; S343-G345 PolarHBondContact O-N 3.31Å
344F89.5Confident78.8Confident38 Ų3876.6 Ų76.617%0.16747%0.47CS..THydrogen-bonded Turntrans-81.6114.9176-52.3-54.6000108.9L287 E288 A291 F300 L301 G302 Y303 H342L287-F344 HydrophobicContact CB-CE1 4.25Å; L287-F344 HydrophobicContact CB-CZ 3.76Å; E288-F344 HydrophobicContact CB-CD1 4.41Å; E288-F344 HydrophobicContact CB-CE1 4.36Å; E288-F344 HydrophobicContact CG-CD1 3.54Å; E288-F344 HydrophobicContact CG-CE1 3.56Å; A291-F344 HydrophobicContact CB-CB 4.31Å; A291-F344 HydrophobicContact CB-CD1 4.44Å; A291-F344 HydrophobicContact CB-CD2 3.54Å; A291-F344 HydrophobicContact CB-CE2 3.9Å; A291-F344 HydrophobicContact CB-CG 3.84Å; A291-F344 HydrophobicContact CB-CZ 4.45Å; F300-F344 HydrophobicContact CD1-CD2 4.27Å; F300-F344 AromaticContact CD1-CE2 3.66Å; F300-F344 HydrophobicContact CD1-CE2 3.66Å; F300-F344 HydrophobicContact CD1-CZ 4.43Å; F300-F344 AromaticContact CD2-CE2 3.99Å; F300-F344 HydrophobicContact CD2-CE2 3.99Å; F300-F344 HydrophobicContact CE1-CD2 4.41Å; F300-F344 AromaticContact CE1-CE2 3.4Å; F300-F344 HydrophobicContact CE1-CE2 3.4Å; F300-F344 AromaticContact CE1-CZ 3.79Å; F300-F344 HydrophobicContact CE1-CZ 3.79Å; F300-F344 AromaticContact CE2-CE2 3.74Å; F300-F344 HydrophobicContact CE2-CE2 3.74Å; F300-F344 HydrophobicContact CE2-CZ 4.49Å; F300-F344 HydrophobicContact CG-CD2 4.36Å; F300-F344 AromaticContact CG-CE2 3.95Å; F300-F344 HydrophobicContact CG-CE2 3.95Å; F300-F344 AromaticContact CZ-CE2 3.45Å; F300-F344 HydrophobicContact CZ-CE2 3.45Å; F300-F344 VanDerWaalsContact CZ-CE2 3.45Å; F300-F344 AromaticContact CZ-CZ 3.84Å; F300-F344 HydrophobicContact CZ-CZ 3.84Å; F300-F344 WeakPolarHBondContact O-CD2 3.34Å; L301-F344 PolarHBondContact O-N 3.18Å; G302-F344 VanDerWaalsContact CA-CD2 3.49Å; G302-F344 VanDerWaalsContact N-CD2 3.32Å; Y303-F344 HydrophobicContact CD1-CE1 4.11Å; Y303-F344 HydrophobicContact CD1-CE2 4.32Å; Y303-F344 AromaticContact CD1-CZ 3.55Å; Y303-F344 HydrophobicContact CD1-CZ 3.55Å; Y303-F344 HydrophobicContact CE1-CE1 4.1Å; Y303-F344 AromaticContact CE1-CZ 3.97Å; Y303-F344 HydrophobicContact CE1-CZ 3.97Å; H342-F344 AromaticContact CD2-CD1 3.63Å; H342-F344 AromaticContact CD2-CE1 3.5Å; H342-F344 AromaticContact NE2-CD1 3.86Å; H342-F344 AromaticContact NE2-CE1 3.98Å
345G69.1Low77.9Confident84 Ų8478.7 Ų78.787%0.86648%0.477SS*.THydrogen-bonded Turntrans97.814.8176.200000116.3S343 S347S343-G345 PolarHBondContact O-N 3.31Å; G345-S347 PolarHBondContact O-N 3.41Å
346G52.8Low76.8Confident59 Ų5983.7 Ų83.761%0.60851%0.508SS*.  trans-84.4104.3162.100000110.5S348G346-S348 PolarHBondContact O-N 2.85Å; G346-S348 VanDerWaalsContact O-N 3.16Å
347S34.4Very low75.4Confident101 Ų10189.2 Ų89.271%0.70654%0.539SS*.  trans-51.9119.2146.547.20000106.5G345 Q349G345-S347 PolarHBondContact O-N 3.41Å; S347-Q349 PolarHBondContact O-N 3.17Å
348S31.3Very low73.7Confident119 Ų11985.9 Ų85.983%0.83254%0.537SS*.  trans-46.3110.4161.244.30000108G346G346-S348 PolarHBondContact O-N 2.85Å; G346-S348 VanDerWaalsContact O-N 3.16Å
349Q31.6Very low71.7Confident258 Ų25886.9 Ų86.9100%1.20655%0.551SS**  trans-81.30151.1-75.3-169.81.300107.6S347S347-Q349 PolarHBondContact O-N 3.17Å

Retrieved 349 of 349 residues in 209.4 ms (Link to these results)

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