A0A077Z1P0_TRITR Loading...

FAD synthase

AlphaFold DB , UniProt , Accession A0A077Z1P0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 319 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
1M43.2Very low85.3Confident243 Ų243100.6 Ų100.6100%1.19751%0.508SS*.  0122.20-75.2-171.7-103.800107
2C63.2Low86.2Confident135 Ų13594.7 Ų94.791%0.91248%0.475SS*.  trans-68.9131.3177-1410000108.4K4C2-K4 PolarHBondContact O-N 3.32Å
3E80.9Confident87Confident147 Ų14787.4 Ų87.469%0.68744%0.439SS*.  trans-63.8124.7177.6-168.7168.5-162.900109.1Y5E3-Y5 PolarHBondContact O-N 3.06Å
4K88Confident87.5Confident137 Ų13784.2 Ų84.260%0.59643%0.429SS*.SBendtrans-59.6-31.3-174.2-172.7-177.3-179.6-164.30112.6C2C2-K4 PolarHBondContact O-N 3.32Å
5Y93.3Very high87.9Confident45 Ų4580.5 Ų80.518%0.17641%0.41CS..  trans-134.480.4-179.3-55.7-59000110.3E3 V7 S33 A36 K55 A56E3-Y5 PolarHBondContact O-N 3.06Å; Y5-V7 PolarHBondContact O-N 3.36Å; Y5-S33 WeakPolarHBondContact CE1-O 3.42Å; Y5-S33 PolarHBondContact OH-O 2.77Å; Y5-A36 HydrophobicContact CD2-CB 4.15Å; Y5-A36 HydrophobicContact CE2-CB 3.69Å; Y5-K55 HydrophobicContact CD2-CB 4.48Å; Y5-K55 HydrophobicContact CG-CB 4.2Å; Y5-A56 CarbonylContact C-O 3.46Å; Y5-A56 WeakPolarHBondContact CA-O 3.17Å
6P93.9Very high88.3Confident81 Ų8178 Ų7853%0.52640%0.402SS..  trans-73.2-13.6-176.730.5-34.4000113.1A56P6-A56 WeakPolarHBondContact CD-O 3.45Å
7V96Very high88.6Confident35 Ų3576.2 Ų76.221%0.21239%0.393CS..EExtended strand (participates in β ladder)trans-108.6134.8-178.2-167.80000109.9Y5 K55 A56 V59 I62Y5-V7 PolarHBondContact O-N 3.36Å; V7-K55 CarbonylContact O-C 3.53Å; V7-K55 VanDerWaalsContact O-CA 3.27Å; V7-K55 WeakPolarHBondContact O-CA 3.29Å; V7-A56 PolarHBondContact N-O 3.02Å; V7-A56 PolarHBondContact O-N 3.33Å; V7-V59 HydrophobicContact CG1-CG2 3.82Å; V7-V59 HydrophobicContact CG2-CG2 3.96Å; V7-I62 HydrophobicContact CB-CD1 4.1Å; V7-I62 HydrophobicContact CG1-CD1 3.46Å; V7-I62 VanDerWaalsContact CG1-CD1 3.46Å; V7-I62 HydrophobicContact CG1-CG1 4.45Å
8M94.9Very high88.9Confident105 Ų10579.4 Ų79.452%0.51742%0.417SS..EExtended strand (participates in β ladder)trans-134140.6174.2-176.1-83.9-68.400111.2V54 K55M8-V54 CarbonylContact C-O 3.53Å; M8-V54 VanDerWaalsContact CA-O 3.27Å; M8-V54 WeakPolarHBondContact CA-O 3.42Å; M8-K55 HydrophobicContact CB-CG 4.19Å; M8-K55 HydrophobicContact CG-CG 3.88Å
9R94.7Very high89.2Confident122 Ų12281.7 Ų81.746%0.4643%0.425SS..EExtended strand (participates in β ladder)trans-141.4136.1171.7-172.7170.2178.8174.90.6110.4L11 V54 I62 I66R9-L11 HydrophobicContact CG-CD2 4.31Å; R9-V54 PolarHBondContact N-O 3.22Å; R9-V54 WeakPolarHBondContact O-CA 3.2Å; R9-V54 WeakPolarHBondContact O-CB 3.47Å; R9-V54 PolarHBondContact O-N 3.34Å; R9-I62 HydrophobicContact CB-CD1 3.93Å; R9-I62 HydrophobicContact CB-CG2 3.93Å; R9-I62 HydrophobicContact CG-CG2 4.45Å; R9-I66 VanDerWaalsContact NH1-CD1 3.33Å
10N94.9Very high89.4Confident51 Ų5177.7 Ų77.727%0.27340%0.404SS..EExtended strand (participates in β ladder)trans-88.6135170.3-66.3-47.4000110.2Y12 K51 L52N10-Y12 HydrophobicContact CB-CE2 4.34Å; N10-K51 WeakPolarHBondContact ND2-CE 3.32Å; N10-K51 WeakPolarHBondContact OD1-CE 3.34Å; N10-L52 CarbonylContact C-O 3.52Å; N10-L52 VanDerWaalsContact CA-O 3.31Å; N10-L52 WeakPolarHBondContact CA-O 3.5Å
11L95.1Very high89.7Confident6 Ų677.9 Ų77.93%0.03140%0.403CS..EExtended strand (participates in β ladder)trans-119.7157.7168.5-51.2174.8000109.3R9 K51 L52 V54 F65 I66 L77R9-L11 HydrophobicContact CG-CD2 4.31Å; L11-K51 CarbonylContact O-C 3.5Å; L11-K51 WeakPolarHBondContact O-CA 3.39Å; L11-L52 HydrophobicContact CB-CB 4.17Å; L11-L52 HydrophobicContact CB-CD1 4.46Å; L11-L52 PolarHBondContact N-O 3.39Å; L11-L52 PolarHBondContact O-N 3.35Å; L11-V54 HydrophobicContact CD1-CG2 3.83Å; L11-V54 HydrophobicContact CG-CG2 4.09Å; L11-F65 HydrophobicContact CD1-CD1 4.24Å; L11-F65 HydrophobicContact CD1-CE1 4.05Å; L11-I66 HydrophobicContact CD1-CG1 3.78Å; L11-I66 HydrophobicContact CD2-CD1 3.92Å; L11-I66 HydrophobicContact CD2-CG1 3.94Å; L11-L77 HydrophobicContact CB-CD1 4.15Å; L11-L77 HydrophobicContact CD1-CD1 4.44Å
12Y96.5Very high92.1Very high29 Ų2976.3 Ų76.311%0.11438%0.384CS..EExtended strand (participates in β ladder)trans-130.9143.8-177.5-61.6-80.2000111.2N10 C48 V50 K51 L78 V81 L83N10-Y12 HydrophobicContact CB-CE2 4.34Å; Y12-C48 HydrophobicContact CD1-CB 4.41Å; Y12-V50 CarbonylContact C-O 3.39Å; Y12-V50 VanDerWaalsContact CA-O 3.31Å; Y12-V50 WeakPolarHBondContact CA-O 3.39Å; Y12-K51 HydrophobicContact CD1-CB 3.95Å; Y12-K51 HydrophobicContact CD1-CG 4.15Å; Y12-K51 HydrophobicContact CE1-CB 3.83Å; Y12-K51 HydrophobicContact CE1-CD 3.93Å; Y12-K51 HydrophobicContact CE1-CG 3.67Å; Y12-L78 WeakPolarHBondContact O-CB 3.42Å; Y12-L78 PolarHBondContact O-N 3.14Å; Y12-V81 HydrophobicContact CD1-CG1 4.3Å; Y12-V81 HydrophobicContact CD2-CB 3.59Å; Y12-V81 HydrophobicContact CD2-CG1 3.84Å; Y12-V81 HydrophobicContact CE2-CB 4.3Å; Y12-V81 HydrophobicContact CE2-CG1 4.28Å; Y12-V81 WeakPolarHBondContact CE2-O 3.33Å; Y12-V81 HydrophobicContact CG-CB 3.85Å; Y12-V81 HydrophobicContact CG-CG1 3.82Å; Y12-L83 HydrophobicContact CD1-CD1 4.13Å; Y12-L83 HydrophobicContact CE1-CD1 3.37Å; Y12-L83 HydrophobicContact CE1-CG 3.93Å
13L96.1Very high93.6Very high0 Ų073.1 Ų73.10%036%0.357CS..EExtended strand (participates in β ladder)trans-123142.8-179-45.5179.1000111.3I15 C20 I24 C48 K49 V50 L52 L73 G76 L77L13-I15 HydrophobicContact CB-CG1 4.03Å; L13-I15 HydrophobicContact CD1-CG1 4.49Å; L13-C20 HydrophobicContact CD1-CB 4.03Å; L13-I24 HydrophobicContact CD1-CD1 4.06Å; L13-C48 CarbonylContact O-C 3.56Å; L13-C48 WeakPolarHBondContact O-CA 3.14Å; L13-C48 WeakPolarHBondContact O-CB 2.82Å; L13-K49 PolarHBondContact O-N 3.23Å; L13-V50 HydrophobicContact CB-CB 4.14Å; L13-V50 HydrophobicContact CD1-CB 4.23Å; L13-V50 HydrophobicContact CD1-CG1 4.2Å; L13-V50 HydrophobicContact CG-CB 4.33Å; L13-V50 PolarHBondContact N-O 3.09Å; L13-V50 PolarHBondContact O-N 3.07Å; L13-L52 HydrophobicContact CD1-CD1 4.16Å; L13-L52 HydrophobicContact CD1-CD2 4.21Å; L13-L52 HydrophobicContact CD1-CG 4.28Å; L13-L52 HydrophobicContact CD2-CD1 4.22Å; L13-L52 HydrophobicContact CG-CD1 4.33Å; L13-L52 HydrophobicContact CG-CG 4.34Å; L13-L73 HydrophobicContact CD1-CD1 3.72Å; L13-L73 HydrophobicContact CD2-CD1 3.38Å; L13-L73 HydrophobicContact CG-CD1 4.18Å; L13-G76 CarbonylContact C-O 3.56Å; L13-G76 WeakPolarHBondContact CA-O 3.48Å; L13-L77 HydrophobicContact CD2-CB 4.31Å; L13-L77 HydrophobicContact CD2-CD1 3.65Å
14S93.9Very high94.2Very high43 Ų4366.6 Ų66.630%0.30133%0.327SS..SBendtrans-83.6-12.5173.756.70000113.7K49 G76S14-K49 WeakPolarHBondContact O-CD 3.47Å; S14-K49 VanDerWaalsContact O-CE 3.25Å; S14-K49 WeakPolarHBondContact O-CE 3Å; S14-K49 WeakPolarHBondContact O-CG 3.32Å; S14-G76 PolarHBondContact N-O 3.31Å; S14-G76 WeakPolarHBondContact OG-CA 3.45Å; S14-G76 PolarHBondContact OG-O 2.79Å
15I93.6Very high94.5Very high29 Ų2964.5 Ų64.515%0.14932%0.319CS..SBendtrans-95.7150.7-178.851.5-179.4000111.4L13 C20 V50 L73L13-I15 HydrophobicContact CB-CG1 4.03Å; L13-I15 HydrophobicContact CD1-CG1 4.49Å; I15-C20 HydrophobicContact CD1-CB 3.61Å; I15-C20 HydrophobicContact CG1-CB 3.9Å; I15-V50 WeakPolarHBondContact O-CG2 3.24Å; I15-L73 HydrophobicContact CD1-CB 4.34Å; I15-L73 HydrophobicContact CD1-CD1 4.47Å; I15-L73 HydrophobicContact CD1-CD2 3.66Å; I15-L73 HydrophobicContact CD1-CG 4.35Å
16S94.2Very high94.6Very high40 Ų4065.1 Ų65.128%0.2833%0.33SS..  trans-68.4155.6-174.970.50000112T18 E19 C20S16-T18 VanDerWaalsContact C-N 3.26Å; S16-T18 PolarHBondContact O-N 3.48Å; S16-E19 WeakPolarHBondContact O-CB 3.48Å; S16-E19 PolarHBondContact O-N 3.04Å; S16-E19 VanDerWaalsContact O-N 3.09Å; S16-E19 VanDerWaalsContact OG-CB 3.31Å; S16-E19 WeakPolarHBondContact OG-CB 3.46Å; S16-E19 PolarHBondContact OG-N 2.87Å; S16-C20 PolarHBondContact O-N 3.11Å; S16-C20 PolarHBondContact O-SG 3.43Å
17L94.2Very high94.6Very high47 Ų4761.2 Ų61.225%0.24631%0.305CS..Hα-helixtrans-58.1-41.4177.8-173.159.3000111.6E19 C20 H21 A39 V50L17-E19 VanDerWaalsContact C-N 3.26Å; L17-E19 PolarHBondContact O-N 3.1Å; L17-C20 PolarHBondContact O-N 3.43Å; L17-H21 WeakPolarHBondContact O-CA 3.31Å; L17-H21 VanDerWaalsContact O-CB 3.24Å; L17-H21 WeakPolarHBondContact O-CB 3.47Å; L17-H21 PolarHBondContact O-N 2.75Å; L17-A39 HydrophobicContact CD1-CB 3.7Å; L17-V50 HydrophobicContact CB-CG2 3.84Å; L17-V50 HydrophobicContact CD1-CG1 4.14Å; L17-V50 HydrophobicContact CD1-CG2 4.32Å
18T94.4Very high94.6Very high134 Ų13461.3 Ų61.382%0.82231%0.305SS*.Hα-helixtrans-58.5-38177.4-51.80000112.5S16S16-T18 VanDerWaalsContact C-N 3.26Å; S16-T18 PolarHBondContact O-N 3.48Å
19E93.4Very high94.5Very high124 Ų12463.6 Ų63.658%0.57932%0.315SS*.Hα-helixtrans-76.5-39.3-178.8-175.3178.9-174.200112.2S16 L17S16-E19 WeakPolarHBondContact O-CB 3.48Å; S16-E19 PolarHBondContact O-N 3.04Å; S16-E19 VanDerWaalsContact O-N 3.09Å; S16-E19 VanDerWaalsContact OG-CB 3.31Å; S16-E19 WeakPolarHBondContact OG-CB 3.46Å; S16-E19 PolarHBondContact OG-N 2.87Å; L17-E19 VanDerWaalsContact C-N 3.26Å; L17-E19 PolarHBondContact O-N 3.1Å
20C94.8Very high94.4Very high0 Ų061.2 Ų61.20%032%0.316CS..Hα-helixtrans-94.6-11.7-174.567.90000114.8L13 I15 S16 L17 R22 L23 I24 L73L13-C20 HydrophobicContact CD1-CB 4.03Å; I15-C20 HydrophobicContact CD1-CB 3.61Å; I15-C20 HydrophobicContact CG1-CB 3.9Å; S16-C20 PolarHBondContact O-N 3.11Å; S16-C20 PolarHBondContact O-SG 3.43Å; L17-C20 PolarHBondContact O-N 3.43Å; C20-R22 PolarHBondContact O-N 3.05Å; C20-L23 WeakPolarHBondContact O-CB 3.15Å; C20-L23 PolarHBondContact O-N 3.16Å; C20-I24 HydrophobicContact CB-CD1 4.08Å; C20-I24 HydrophobicContact CB-CG1 4.48Å; C20-I24 WeakPolarHBondContact O-CG1 3.01Å; C20-I24 PolarHBondContact O-N 3.36Å; C20-I24 WeakPolarHBondContact SG-CD1 3.25Å; C20-L73 HydrophobicContact CB-CD2 4.11Å
21H94.1Very high94.4Very high83 Ų8360.1 Ų60.138%0.38431%0.309SS..Hα-helixtrans-51.2-50.9-171.7-174.573.3000113.6L17 L23 I24 Q25L17-H21 WeakPolarHBondContact O-CA 3.31Å; L17-H21 VanDerWaalsContact O-CB 3.24Å; L17-H21 WeakPolarHBondContact O-CB 3.47Å; L17-H21 PolarHBondContact O-N 2.75Å; H21-L23 VanDerWaalsContact C-N 3.34Å; H21-L23 PolarHBondContact O-N 2.88Å; H21-I24 PolarHBondContact O-N 3.43Å; H21-Q25 PolarHBondContact CE1-NE2 3Å; H21-Q25 VanDerWaalsContact NE2-CD 3.31Å; H21-Q25 PolarHBondContact NE2-NE2 2.93Å; H21-Q25 PolarHBondContact NE2-OE1 3.49Å; H21-Q25 WeakPolarHBondContact O-CG 3.34Å; H21-Q25 PolarHBondContact O-N 2.94Å
22R94.8Very high94Very high209 Ų20963.9 Ų63.979%0.78934%0.34SS*.Hα-helixtrans-66-36.3-179.2-68.5-177.2-176.8158.21.2112.4C20 Q25 S26C20-R22 PolarHBondContact O-N 3.05Å; R22-Q25 PolarHBondContact O-N 3.45Å; R22-S26 VanDerWaalsContact O-CB 3.29Å; R22-S26 WeakPolarHBondContact O-CB 3.39Å; R22-S26 PolarHBondContact O-N 3.29Å
23L94.2Very high93.6Very high69 Ų6966 Ų6636%0.36136%0.36SS..Hα-helixtrans-67.8-41.3178.8-60.7175.5000110.7C20 H21 A27 L73C20-L23 WeakPolarHBondContact O-CB 3.15Å; C20-L23 PolarHBondContact O-N 3.16Å; H21-L23 VanDerWaalsContact C-N 3.34Å; H21-L23 PolarHBondContact O-N 2.88Å; L23-A27 WeakPolarHBondContact O-CB 3.41Å; L23-A27 PolarHBondContact O-N 2.93Å; L23-L73 HydrophobicContact CB-CD2 3.72Å; L23-L73 HydrophobicContact CD1-CD2 3.47Å; L23-L73 VanDerWaalsContact CD1-CD2 3.47Å; L23-L73 HydrophobicContact CG-CD2 4.24Å
24I94.4Very high93.6Very high10 Ų1069.8 Ų69.85%0.05138%0.38CS..Hα-helixtrans-61.9-51.2174.1-64160.4000110.3L13 C20 H21 S26 A27 V28 V37 A39 L52 I69L13-I24 HydrophobicContact CD1-CD1 4.06Å; C20-I24 HydrophobicContact CB-CD1 4.08Å; C20-I24 HydrophobicContact CB-CG1 4.48Å; C20-I24 WeakPolarHBondContact O-CG1 3.01Å; C20-I24 PolarHBondContact O-N 3.36Å; C20-I24 WeakPolarHBondContact SG-CD1 3.25Å; H21-I24 PolarHBondContact O-N 3.43Å; I24-S26 VanDerWaalsContact C-N 3.34Å; I24-S26 PolarHBondContact O-N 3.41Å; I24-A27 PolarHBondContact O-N 3.07Å; I24-V28 HydrophobicContact CG2-CG2 4.26Å; I24-V28 VanDerWaalsContact O-CG2 3.29Å; I24-V28 WeakPolarHBondContact O-CG2 3.45Å; I24-V28 PolarHBondContact O-N 3.38Å; I24-V37 HydrophobicContact CG2-CG1 4.16Å; I24-A39 HydrophobicContact CD1-CB 4.21Å; I24-L52 HydrophobicContact CD1-CD2 3.59Å; I24-L52 HydrophobicContact CG1-CD1 4.44Å; I24-L52 HydrophobicContact CG1-CD2 4.23Å; I24-I69 HydrophobicContact CG1-CD1 4.2Å
25Q94.3Very high93.7Very high93 Ų9368 Ų6844%0.43537%0.367SS..Hα-helixtrans-58.7-45.2-180-74.6178.9-3200112.3H21 R22 A27 V28 Q29H21-Q25 PolarHBondContact CE1-NE2 3Å; H21-Q25 VanDerWaalsContact NE2-CD 3.31Å; H21-Q25 PolarHBondContact NE2-NE2 2.93Å; H21-Q25 PolarHBondContact NE2-OE1 3.49Å; H21-Q25 WeakPolarHBondContact O-CG 3.34Å; H21-Q25 PolarHBondContact O-N 2.94Å; R22-Q25 PolarHBondContact O-N 3.45Å; Q25-A27 VanDerWaalsContact C-N 3.34Å; Q25-A27 PolarHBondContact O-N 2.97Å; Q25-V28 PolarHBondContact O-N 2.92Å; Q25-Q29 WeakPolarHBondContact O-CG 3.47Å; Q25-Q29 PolarHBondContact O-N 3.32Å
26S94.3Very high93.7Very high57 Ų5768.2 Ų68.240%0.39937%0.373SS..Hα-helixtrans-59.7-43176.4178.90000112R22 I24R22-S26 VanDerWaalsContact O-CB 3.29Å; R22-S26 WeakPolarHBondContact O-CB 3.39Å; R22-S26 PolarHBondContact O-N 3.29Å; I24-S26 VanDerWaalsContact C-N 3.34Å; I24-S26 PolarHBondContact O-N 3.41Å
27A94.1Very high93.8Very high0 Ų068 Ų680%037%0.37CS..Hα-helixtrans-65.3-42176.400000112.4L23 I24 Q25 Q29 C30 F31 F65 R68 I69L23-A27 WeakPolarHBondContact O-CB 3.41Å; L23-A27 PolarHBondContact O-N 2.93Å; I24-A27 PolarHBondContact O-N 3.07Å; Q25-A27 VanDerWaalsContact C-N 3.34Å; Q25-A27 PolarHBondContact O-N 2.97Å; A27-Q29 PolarHBondContact O-N 3.44Å; A27-C30 PolarHBondContact O-N 3.18Å; A27-F31 WeakPolarHBondContact O-CD2 3.2Å; A27-F31 WeakPolarHBondContact O-CE2 3.35Å; A27-F65 HydrophobicContact CB-CD2 4.48Å; A27-F65 HydrophobicContact CB-CE2 3.86Å; A27-R68 HydrophobicContact CB-CG 4.03Å; A27-I69 HydrophobicContact CB-CB 4.43Å; A27-I69 HydrophobicContact CB-CD1 3.55Å
28V94.9Very high93.9Very high36 Ų3670.7 Ų70.722%0.21838%0.381CS..Hα-helixtrans-63.9-38.9179.9170.90000112.1I24 Q25 C30 F31 L35 V37 F65I24-V28 HydrophobicContact CG2-CG2 4.26Å; I24-V28 VanDerWaalsContact O-CG2 3.29Å; I24-V28 WeakPolarHBondContact O-CG2 3.45Å; I24-V28 PolarHBondContact O-N 3.38Å; Q25-V28 PolarHBondContact O-N 2.92Å; V28-C30 PolarHBondContact O-N 3.14Å; V28-C30 VanDerWaalsContact O-N 3.09Å; V28-F31 PolarHBondContact O-N 3.04Å; V28-L35 HydrophobicContact CB-CD2 4.38Å; V28-L35 HydrophobicContact CG1-CD2 4.26Å; V28-L35 HydrophobicContact CG2-CD2 4.03Å; V28-V37 HydrophobicContact CG2-CB 3.74Å; V28-V37 HydrophobicContact CG2-CG2 3.6Å; V28-F65 HydrophobicContact CG2-CE2 3.85Å; V28-F65 HydrophobicContact CG2-CZ 4.31Å
29Q94.1Very high94Very high154 Ų15465.7 Ų65.772%0.7235%0.354SS*.Hα-helixtrans-57.9-26-179.7-76.5172.7-3.200113.4Q25 A27 F31Q25-Q29 WeakPolarHBondContact O-CG 3.47Å; Q25-Q29 PolarHBondContact O-N 3.32Å; A27-Q29 PolarHBondContact O-N 3.44Å; Q29-F31 PolarHBondContact O-N 2.81Å
30C92Very high94Very high71 Ų7163.7 Ų63.748%0.4835%0.347SS..THydrogen-bonded Turntrans-70-12.7177.4-610000114.1A27 V28 R68A27-C30 PolarHBondContact O-N 3.18Å; V28-C30 PolarHBondContact O-N 3.14Å; V28-C30 VanDerWaalsContact O-N 3.09Å; C30-R68 PolarHBondContact SG-NH2 2.98Å
31F94.3Very high94.1Very high29 Ų2967.1 Ų67.113%0.12737%0.371CS..THydrogen-bonded Turntrans-111.311.8-172.5-64.2-86.1000113.9A27 V28 Q29 S33 D34 L35 V61 L64 F65 R68A27-F31 WeakPolarHBondContact O-CD2 3.2Å; A27-F31 WeakPolarHBondContact O-CE2 3.35Å; V28-F31 PolarHBondContact O-N 3.04Å; Q29-F31 PolarHBondContact O-N 2.81Å; F31-S33 PolarHBondContact O-N 3.48Å; F31-D34 PolarHBondContact O-N 3.41Å; F31-L35 HydrophobicContact CB-CB 3.53Å; F31-L35 HydrophobicContact CB-CD2 4.1Å; F31-L35 HydrophobicContact CB-CG 4.34Å; F31-L35 HydrophobicContact CD2-CD2 4.12Å; F31-L35 HydrophobicContact CG-CB 4.21Å; F31-L35 HydrophobicContact CG-CD2 4.23Å; F31-V61 HydrophobicContact CD1-CG1 3.87Å; F31-V61 HydrophobicContact CE1-CG1 4.49Å; F31-L64 HydrophobicContact CE1-CB 3.66Å; F31-L64 HydrophobicContact CZ-CB 4.02Å; F31-F65 AromaticContact CD2-CD2 3.99Å; F31-F65 HydrophobicContact CD2-CD2 3.99Å; F31-F65 HydrophobicContact CE1-CB 4.37Å; F31-F65 HydrophobicContact CE2-CB 4.03Å; F31-F65 AromaticContact CE2-CD2 3.76Å; F31-F65 HydrophobicContact CE2-CD2 3.76Å; F31-F65 HydrophobicContact CE2-CG 4.4Å; F31-F65 VanDerWaalsContact CZ-CA 3.44Å; F31-F65 HydrophobicContact CZ-CB 3.93Å; F31-R68 HydrophobicContact CE2-CB 4.33Å; F31-R68 HydrophobicContact CE2-CG 4.42Å; F31-R68 HydrophobicContact CZ-CB 4.38Å
32A86.7Confident94Very high84 Ų8464.5 Ų64.569%0.69436%0.361SS*.THydrogen-bonded Turntrans43.8-122.3176.400000112.6
33S89.5Confident93.7Very high75 Ų7561.1 Ų61.152%0.52436%0.358SS..THydrogen-bonded Turntrans-91.8-2.2179.556.70000114.9Y5 F31 L35Y5-S33 WeakPolarHBondContact CE1-O 3.42Å; Y5-S33 PolarHBondContact OH-O 2.77Å; F31-S33 PolarHBondContact O-N 3.48Å; S33-L35 VanDerWaalsContact C-N 3.33Å
34D94.6Very high93.4Very high78 Ų7863 Ų6342%0.41737%0.369SS..SBendtrans-81.4-11.1-174.1-79.5-50.6000114F31 A56 S57 V61F31-D34 PolarHBondContact O-N 3.41Å; D34-A56 CarbonylContact O-C 3.55Å; D34-A56 VanDerWaalsContact O-CA 3.24Å; D34-A56 WeakPolarHBondContact O-CA 3.35Å; D34-S57 PolarHBondContact O-N 3.2Å; D34-S57 PolarHBondContact OD1-OG 3.11Å; D34-V61 HydrophobicContact CB-CG1 4.21Å; D34-V61 HydrophobicContact CB-CG2 4.38Å
35L96Very high93.3Very high6 Ų664.5 Ų64.53%0.03138%0.377CS..EExtended strand (participates in β ladder)trans-137.6140.5-175-173109.9000110.5V28 F31 S33 V37 V54 K55 A56 V61 F65V28-L35 HydrophobicContact CB-CD2 4.38Å; V28-L35 HydrophobicContact CG1-CD2 4.26Å; V28-L35 HydrophobicContact CG2-CD2 4.03Å; F31-L35 HydrophobicContact CB-CB 3.53Å; F31-L35 HydrophobicContact CB-CD2 4.1Å; F31-L35 HydrophobicContact CB-CG 4.34Å; F31-L35 HydrophobicContact CD2-CD2 4.12Å; F31-L35 HydrophobicContact CG-CB 4.21Å; F31-L35 HydrophobicContact CG-CD2 4.23Å; S33-L35 VanDerWaalsContact C-N 3.33Å; L35-V37 HydrophobicContact CD2-CG2 3.5Å; L35-V37 HydrophobicContact CG-CG2 4.05Å; L35-V54 HydrophobicContact CD1-CG1 3.69Å; L35-V54 HydrophobicContact CG-CG1 4.36Å; L35-K55 CarbonylContact C-O 3.57Å; L35-K55 WeakPolarHBondContact CA-O 3.29Å; L35-A56 HydrophobicContact CD1-CB 4.26Å; L35-V61 HydrophobicContact CB-CG1 4.14Å; L35-V61 HydrophobicContact CD1-CG1 3.86Å; L35-F65 HydrophobicContact CD1-CB 3.7Å; L35-F65 HydrophobicContact CD1-CD1 4.46Å; L35-F65 HydrophobicContact CD1-CD2 4.2Å; L35-F65 HydrophobicContact CD1-CG 3.86Å; L35-F65 HydrophobicContact CD2-CD2 3.52Å; L35-F65 HydrophobicContact CD2-CE2 3.85Å; L35-F65 HydrophobicContact CD2-CG 4.02Å
36A95.3Very high93.4Very high34 Ų3461.3 Ų61.328%0.28136%0.363SS..EExtended strand (participates in β ladder)trans-129.3133.6167.100000109Y5 K55Y5-A36 HydrophobicContact CD2-CB 4.15Å; Y5-A36 HydrophobicContact CE2-CB 3.69Å; A36-K55 PolarHBondContact N-O 3.33Å; A36-K55 PolarHBondContact O-N 3.17Å
37V96.2Very high93.4Very high35 Ų3559.5 Ų59.521%0.21235%0.347CS..EExtended strand (participates in β ladder)trans-127.6124.7179.6-178.50000109.3I24 V28 L35 L52 C53 V54 F65I24-V37 HydrophobicContact CG2-CG1 4.16Å; V28-V37 HydrophobicContact CG2-CB 3.74Å; V28-V37 HydrophobicContact CG2-CG2 3.6Å; L35-V37 HydrophobicContact CD2-CG2 3.5Å; L35-V37 HydrophobicContact CG-CG2 4.05Å; V37-L52 HydrophobicContact CG1-CB 4.1Å; V37-L52 HydrophobicContact CG1-CD2 4.39Å; V37-C53 WeakPolarHBondContact CA-O 3.46Å; V37-V54 HydrophobicContact CG1-CG2 4.36Å; V37-V54 HydrophobicContact CG2-CB 4.45Å; V37-V54 HydrophobicContact CG2-CG1 4.12Å; V37-V54 HydrophobicContact CG2-CG2 4.18Å; V37-F65 HydrophobicContact CG1-CZ 4.45Å; V37-F65 HydrophobicContact CG2-CE1 4.09Å; V37-F65 HydrophobicContact CG2-CE2 4.12Å; V37-F65 HydrophobicContact CG2-CZ 3.76Å
38E95.5Very high93.5Very high103 Ų10359.7 Ų59.748%0.48135%0.349SS..EExtended strand (participates in β ladder)trans-107.1124.7169.8-176.3-177.4-177.800108.6L40 L52 C53E38-L40 HydrophobicContact CG-CD2 4.3Å; E38-L40 HydrophobicContact CG-CG 4.26Å; E38-L52 CarbonylContact O-C 3.6Å; E38-L52 WeakPolarHBondContact O-CA 3.45Å; E38-C53 HydrophobicContact CB-CB 4.23Å; E38-C53 PolarHBondContact N-O 3.28Å; E38-C53 PolarHBondContact O-N 2.82Å
39A96Very high93.5Very high30 Ų3063.5 Ų63.525%0.24836%0.362CS..EExtended strand (participates in β ladder)trans-107.4123.2179.600000109.9L17 I24 V50 K51 L52L17-A39 HydrophobicContact CD1-CB 3.7Å; I24-A39 HydrophobicContact CD1-CB 4.21Å; A39-V50 HydrophobicContact CB-CG1 4.28Å; A39-K51 WeakPolarHBondContact CA-O 3.43Å; A39-L52 HydrophobicContact CB-CD2 3.58Å
40L95Very high93.6Very high81 Ų8156.2 Ų56.242%0.42433%0.328SS..EExtended strand (participates in β ladder)trans-123.1135.7-177.7-61.7170.8000109.5E38 V50 K51E38-L40 HydrophobicContact CG-CD2 4.3Å; E38-L40 HydrophobicContact CG-CG 4.26Å; L40-V50 CarbonylContact O-C 3.58Å; L40-V50 VanDerWaalsContact O-CA 3.3Å; L40-V50 WeakPolarHBondContact O-CA 3.42Å; L40-K51 PolarHBondContact N-O 2.9Å; L40-K51 PolarHBondContact O-N 3.33Å
41S95.3Very high93.8Very high72 Ų7255.7 Ų55.750%0.50332%0.318SS..EExtended strand (participates in β ladder)trans-62.7141.5166.3-61.50000109.7K49S41-K49 CarbonylContact C-O 3.45Å; S41-K49 WeakPolarHBondContact CA-O 3.33Å
42V93.6Very high93.9Very high29 Ų2954.3 Ų54.318%0.17631%0.312CS..  trans-119.1112.2174.8-170.10000107.6N45 K49 K51 L83V42-N45 WeakPolarHBondContact CG1-ND2 3.33Å; V42-N45 PolarHBondContact O-ND2 2.87Å; V42-K49 PolarHBondContact N-O 3.47Å; V42-K51 HydrophobicContact CG2-CB 3.48Å; V42-K51 VanDerWaalsContact CG2-CB 3.48Å; V42-L83 HydrophobicContact CG1-CD1 3.95Å
43D88Confident94.3Very high137 Ų13751.2 Ų51.273%0.73329%0.285SS*.  trans-95.1176.2175.9-57.4-44.9000110.3N45D43-N45 PolarHBondContact O-N 3.01Å; D43-N45 PolarHBondContact O-ND2 2.79Å
44D86.9Confident94.7Very high110 Ų11047.6 Ų47.659%0.58826%0.26SS*.SBendtrans55.240.5173.2-160.435.5000115.7K183D44-K183 IonicContact OD1-NZ 3.66Å; D44-K183 PolarHBondContact OD1-NZ 2.94Å; D44-K183 WeakPolarHBondContact OD2-CE 3.49Å; D44-K183 IonicContact OD2-NZ 3.86Å; D44-K183 PolarHBondContact OD2-NZ 3.34Å
45N93.8Very high94.8Very high41 Ų4148.1 Ų48.122%0.21926%0.258CS..  trans-147.7160173.180.893.3000111.7V42 D43 Y47 C48 L83V42-N45 WeakPolarHBondContact CG1-ND2 3.33Å; V42-N45 PolarHBondContact O-ND2 2.87Å; D43-N45 PolarHBondContact O-N 3.01Å; D43-N45 PolarHBondContact O-ND2 2.79Å; N45-Y47 PolarHBondContact OD1-N 3.2Å; N45-C48 PolarHBondContact ND2-O 3.35Å; N45-C48 PolarHBondContact OD1-N 2.73Å; N45-C48 PolarHBondContact OD1-O 2.88Å; N45-C48 VanDerWaalsContact OD1-O 3.08Å; N45-L83 HydrophobicContact CB-CD2 4.38Å
46N95.2Very high94.8Very high26 Ų2647.9 Ų47.914%0.13926%0.257CS..SBendtrans-93.72.4-177-50.398.2000114.7R262 P267 Y268 D273N46-R262 PolarHBondContact O-NH1 2.79Å; N46-P267 WeakPolarHBondContact OD1-CA 3.45Å; N46-Y268 HydrophobicContact CB-CD1 4.32Å; N46-Y268 HydrophobicContact CB-CD2 4.5Å; N46-Y268 HydrophobicContact CB-CE1 3.74Å; N46-Y268 HydrophobicContact CB-CE2 3.94Å; N46-Y268 WeakPolarHBondContact ND2-CE2 3.32Å; N46-Y268 PolarHBondContact ND2-O 2.93Å; N46-Y268 PolarHBondContact OD1-N 3.27Å; N46-Y268 PolarHBondContact OD1-O 3.05Å; N46-D273 PolarHBondContact ND2-OD2 2.94Å
47Y95.1Very high94.8Very high18 Ų1847.7 Ų47.77%0.07125%0.253CS..SBendtrans-120.8-44.2-160.2-64.2-84.3000114.2N45 L78 L261 R262 C265 I266N45-Y47 PolarHBondContact OD1-N 3.2Å; Y47-L78 WeakPolarHBondContact O-CD1 3.27Å; Y47-L261 PolarHBondContact OH-O 2.72Å; Y47-R262 VanDerWaalsContact CE1-NH1 3.3Å; Y47-C265 HydrophobicContact CD1-CB 4.41Å; Y47-C265 HydrophobicContact CD2-CB 4.34Å; Y47-C265 HydrophobicContact CE1-CB 4.31Å; Y47-C265 VanDerWaalsContact CE2-C 3.42Å; Y47-C265 HydrophobicContact CE2-CB 4.27Å; Y47-C265 VanDerWaalsContact CE2-O 3.3Å; Y47-C265 WeakPolarHBondContact CE2-O 3.31Å; Y47-C265 HydrophobicContact CG-CB 4.43Å; Y47-C265 VanDerWaalsContact CZ-C 3.41Å; Y47-C265 VanDerWaalsContact OH-C 3.29Å; Y47-I266 PolarHBondContact OH-N 2.96Å; Y47-I266 VanDerWaalsContact OH-N 3.16Å; Y47-I266 PolarHBondContact OH-O 3.44Å
48C95.3Very high94.8Very high5 Ų552.3 Ų52.33%0.03427%0.27CS..  trans-134.8156.9-175.371.80000111.4Y12 L13 N45 L78Y12-C48 HydrophobicContact CD1-CB 4.41Å; L13-C48 CarbonylContact O-C 3.56Å; L13-C48 WeakPolarHBondContact O-CA 3.14Å; L13-C48 WeakPolarHBondContact O-CB 2.82Å; N45-C48 PolarHBondContact ND2-O 3.35Å; N45-C48 PolarHBondContact OD1-N 2.73Å; N45-C48 PolarHBondContact OD1-O 2.88Å; N45-C48 VanDerWaalsContact OD1-O 3.08Å; C48-L78 HydrophobicContact CB-CD1 3.84Å
49K95.2Very high94.8Very high116 Ų11651.8 Ų51.850%0.50427%0.274SS..SBendtrans-111.4-23.6177.2-61.4-174.3-173.7172.80112.2L13 S14 S41 V42L13-K49 PolarHBondContact O-N 3.23Å; S14-K49 WeakPolarHBondContact O-CD 3.47Å; S14-K49 VanDerWaalsContact O-CE 3.25Å; S14-K49 WeakPolarHBondContact O-CE 3Å; S14-K49 WeakPolarHBondContact O-CG 3.32Å; S41-K49 CarbonylContact C-O 3.45Å; S41-K49 WeakPolarHBondContact CA-O 3.33Å; V42-K49 PolarHBondContact N-O 3.47Å
50V96.7Very high94.8Very high0 Ų056 Ų560%029%0.289CS..EExtended strand (participates in β ladder)trans-136.8138.6-177.31790000110.3Y12 L13 I15 L17 A39 L40 L52Y12-V50 CarbonylContact C-O 3.39Å; Y12-V50 VanDerWaalsContact CA-O 3.31Å; Y12-V50 WeakPolarHBondContact CA-O 3.39Å; L13-V50 HydrophobicContact CB-CB 4.14Å; L13-V50 HydrophobicContact CD1-CB 4.23Å; L13-V50 HydrophobicContact CD1-CG1 4.2Å; L13-V50 HydrophobicContact CG-CB 4.33Å; L13-V50 PolarHBondContact N-O 3.09Å; L13-V50 PolarHBondContact O-N 3.07Å; I15-V50 WeakPolarHBondContact O-CG2 3.24Å; L17-V50 HydrophobicContact CB-CG2 3.84Å; L17-V50 HydrophobicContact CD1-CG1 4.14Å; L17-V50 HydrophobicContact CD1-CG2 4.32Å; A39-V50 HydrophobicContact CB-CG1 4.28Å; L40-V50 CarbonylContact O-C 3.58Å; L40-V50 VanDerWaalsContact O-CA 3.3Å; L40-V50 WeakPolarHBondContact O-CA 3.42Å; V50-L52 HydrophobicContact CG1-CD2 3.81Å
51K95.8Very high94.9Very high60 Ų6053.1 Ų53.126%0.26127%0.274SS..EExtended strand (participates in β ladder)trans-108.6127.9167.8176.4-178.5-178.6-179.10108.9N10 L11 Y12 A39 L40 V42N10-K51 WeakPolarHBondContact ND2-CE 3.32Å; N10-K51 WeakPolarHBondContact OD1-CE 3.34Å; L11-K51 CarbonylContact O-C 3.5Å; L11-K51 WeakPolarHBondContact O-CA 3.39Å; Y12-K51 HydrophobicContact CD1-CB 3.95Å; Y12-K51 HydrophobicContact CD1-CG 4.15Å; Y12-K51 HydrophobicContact CE1-CB 3.83Å; Y12-K51 HydrophobicContact CE1-CD 3.93Å; Y12-K51 HydrophobicContact CE1-CG 3.67Å; A39-K51 WeakPolarHBondContact CA-O 3.43Å; L40-K51 PolarHBondContact N-O 2.9Å; L40-K51 PolarHBondContact O-N 3.33Å; V42-K51 HydrophobicContact CG2-CB 3.48Å; V42-K51 VanDerWaalsContact CG2-CB 3.48Å
52L95.8Very high94.9Very high0 Ų049.9 Ų49.90%025%0.252CS..EExtended strand (participates in β ladder)trans-100.2113.7169.7-50-178000108.6N10 L11 L13 I24 V37 E38 A39 V50 V54N10-L52 CarbonylContact C-O 3.52Å; N10-L52 VanDerWaalsContact CA-O 3.31Å; N10-L52 WeakPolarHBondContact CA-O 3.5Å; L11-L52 HydrophobicContact CB-CB 4.17Å; L11-L52 HydrophobicContact CB-CD1 4.46Å; L11-L52 PolarHBondContact N-O 3.39Å; L11-L52 PolarHBondContact O-N 3.35Å; L13-L52 HydrophobicContact CD1-CD1 4.16Å; L13-L52 HydrophobicContact CD1-CD2 4.21Å; L13-L52 HydrophobicContact CD1-CG 4.28Å; L13-L52 HydrophobicContact CD2-CD1 4.22Å; L13-L52 HydrophobicContact CG-CD1 4.33Å; L13-L52 HydrophobicContact CG-CG 4.34Å; I24-L52 HydrophobicContact CD1-CD2 3.59Å; I24-L52 HydrophobicContact CG1-CD1 4.44Å; I24-L52 HydrophobicContact CG1-CD2 4.23Å; V37-L52 HydrophobicContact CG1-CB 4.1Å; V37-L52 HydrophobicContact CG1-CD2 4.39Å; E38-L52 CarbonylContact O-C 3.6Å; E38-L52 WeakPolarHBondContact O-CA 3.45Å; A39-L52 HydrophobicContact CB-CD2 3.58Å; V50-L52 HydrophobicContact CG1-CD2 3.81Å; L52-V54 HydrophobicContact CB-CG2 4.07Å; L52-V54 PolarHBondContact O-N 3.14Å
53C96Very high95Very high19 Ų1950.8 Ų50.813%0.12826%0.262CS..EExtended strand (participates in β ladder)trans-8598.4167-175.90000107.8V37 E38V37-C53 WeakPolarHBondContact CA-O 3.46Å; E38-C53 HydrophobicContact CB-CB 4.23Å; E38-C53 PolarHBondContact N-O 3.28Å; E38-C53 PolarHBondContact O-N 2.82Å
54V96.6Very high95.4Very high0 Ų049.1 Ų49.10%025%0.253CS..EExtended strand (participates in β ladder)trans-95.4117.7-177.7-174.80000108.6M8 R9 L11 L35 V37 L52 I62 F65M8-V54 CarbonylContact C-O 3.53Å; M8-V54 VanDerWaalsContact CA-O 3.27Å; M8-V54 WeakPolarHBondContact CA-O 3.42Å; R9-V54 PolarHBondContact N-O 3.22Å; R9-V54 WeakPolarHBondContact O-CA 3.2Å; R9-V54 WeakPolarHBondContact O-CB 3.47Å; R9-V54 PolarHBondContact O-N 3.34Å; L11-V54 HydrophobicContact CD1-CG2 3.83Å; L11-V54 HydrophobicContact CG-CG2 4.09Å; L35-V54 HydrophobicContact CD1-CG1 3.69Å; L35-V54 HydrophobicContact CG-CG1 4.36Å; V37-V54 HydrophobicContact CG1-CG2 4.36Å; V37-V54 HydrophobicContact CG2-CB 4.45Å; V37-V54 HydrophobicContact CG2-CG1 4.12Å; V37-V54 HydrophobicContact CG2-CG2 4.18Å; L52-V54 HydrophobicContact CB-CG2 4.07Å; L52-V54 PolarHBondContact O-N 3.14Å; V54-I62 HydrophobicContact CG1-CG1 4.28Å; V54-F65 HydrophobicContact CG1-CD1 3.84Å; V54-F65 HydrophobicContact CG1-CE1 4.22Å; V54-F65 HydrophobicContact CG1-CG 4.49Å; V54-F65 HydrophobicContact CG2-CD1 3.99Å; V54-F65 HydrophobicContact CG2-CE1 3.65Å
55K97.1Very high95.8Very high89 Ų8943.9 Ų43.939%0.38723%0.225SC..EExtended strand (participates in β ladder)trans-114.8137.2175.6-59.5-179.1-176.1174.40109.1Y5 V7 M8 L35 A36Y5-K55 HydrophobicContact CD2-CB 4.48Å; Y5-K55 HydrophobicContact CG-CB 4.2Å; V7-K55 CarbonylContact O-C 3.53Å; V7-K55 VanDerWaalsContact O-CA 3.27Å; V7-K55 WeakPolarHBondContact O-CA 3.29Å; M8-K55 HydrophobicContact CB-CG 4.19Å; M8-K55 HydrophobicContact CG-CG 3.88Å; L35-K55 CarbonylContact C-O 3.57Å; L35-K55 WeakPolarHBondContact CA-O 3.29Å; A36-K55 PolarHBondContact N-O 3.33Å; A36-K55 PolarHBondContact O-N 3.17Å
56A97Very high95.9Very high0 Ų042.8 Ų42.80%022%0.219CC..EExtended strand (participates in β ladder)trans-145.5161.3-176.200000113.3Y5 P6 V7 D34 L35 K58 V61 I62Y5-A56 CarbonylContact C-O 3.46Å; Y5-A56 WeakPolarHBondContact CA-O 3.17Å; P6-A56 WeakPolarHBondContact CD-O 3.45Å; V7-A56 PolarHBondContact N-O 3.02Å; V7-A56 PolarHBondContact O-N 3.33Å; D34-A56 CarbonylContact O-C 3.55Å; D34-A56 VanDerWaalsContact O-CA 3.24Å; D34-A56 WeakPolarHBondContact O-CA 3.35Å; L35-A56 HydrophobicContact CD1-CB 4.26Å; A56-K58 VanDerWaalsContact C-N 3.31Å; A56-V61 HydrophobicContact CB-CB 3.94Å; A56-V61 HydrophobicContact CB-CG1 3.9Å; A56-I62 HydrophobicContact CB-CD1 4.16Å; A56-I62 HydrophobicContact CB-CG1 3.51Å
57S95.3Very high95.9Very high30 Ų3046.4 Ų46.421%0.2124%0.238CC..SBendtrans-67.9-30.9177.159.30000112.3D34D34-S57 PolarHBondContact O-N 3.2Å; D34-S57 PolarHBondContact OD1-OG 3.11Å
58K95.3Very high95.9Very high132 Ų13250.6 Ų50.657%0.57425%0.254SS*.SBendtrans-146.7162179.2-52.9-179.9179.8173.90112.2A56 E60 V61A56-K58 VanDerWaalsContact C-N 3.31Å; K58-E60 VanDerWaalsContact C-N 3.31Å; K58-E60 WeakPolarHBondContact CB-OE2 3.17Å; K58-E60 PolarHBondContact O-N 3.42Å; K58-V61 HydrophobicContact CB-CG2 4.32Å; K58-V61 WeakPolarHBondContact O-CB 3.4Å; K58-V61 PolarHBondContact O-N 3Å
59V95.4Very high95.8Very high92 Ų9250.4 Ų50.456%0.55825%0.252SS*.Hα-helixtrans-65.2-35.9-179.6177.20000111.6V7 V61 I62 A63V7-V59 HydrophobicContact CG1-CG2 3.82Å; V7-V59 HydrophobicContact CG2-CG2 3.96Å; V59-V61 VanDerWaalsContact C-N 3.26Å; V59-V61 PolarHBondContact O-N 2.97Å; V59-I62 WeakPolarHBondContact O-CB 3.43Å; V59-I62 PolarHBondContact O-N 2.81Å; V59-I62 VanDerWaalsContact O-N 3.12Å; V59-A63 PolarHBondContact O-N 2.73Å; V59-A63 VanDerWaalsContact O-N 3.16Å
60E96.5Very high95.8Very high120 Ų12047.2 Ų47.256%0.56124%0.244SC*.Hα-helixtrans-64.4-33-179.3-58.473.4-156.900111.6K58 I62 A63 L64K58-E60 VanDerWaalsContact C-N 3.31Å; K58-E60 WeakPolarHBondContact CB-OE2 3.17Å; K58-E60 PolarHBondContact O-N 3.42Å; E60-I62 VanDerWaalsContact C-N 3.32Å; E60-I62 PolarHBondContact O-N 2.85Å; E60-A63 PolarHBondContact O-N 2.88Å; E60-L64 WeakPolarHBondContact O-CG 3.48Å; E60-L64 PolarHBondContact O-N 3.16Å
61V96.3Very high95.7Very high19 Ų1954.9 Ų54.912%0.11528%0.282CS..Hα-helixtrans-64.4-39.3176178.60000110.7F31 D34 L35 A56 K58 V59 F65F31-V61 HydrophobicContact CD1-CG1 3.87Å; F31-V61 HydrophobicContact CE1-CG1 4.49Å; D34-V61 HydrophobicContact CB-CG1 4.21Å; D34-V61 HydrophobicContact CB-CG2 4.38Å; L35-V61 HydrophobicContact CB-CG1 4.14Å; L35-V61 HydrophobicContact CD1-CG1 3.86Å; A56-V61 HydrophobicContact CB-CB 3.94Å; A56-V61 HydrophobicContact CB-CG1 3.9Å; K58-V61 HydrophobicContact CB-CG2 4.32Å; K58-V61 WeakPolarHBondContact O-CB 3.4Å; K58-V61 PolarHBondContact O-N 3Å; V59-V61 VanDerWaalsContact C-N 3.26Å; V59-V61 PolarHBondContact O-N 2.97Å; V61-F65 WeakPolarHBondContact O-CB 3.47Å; V61-F65 PolarHBondContact O-N 3.36Å
62I95.7Very high95.5Very high5 Ų554.2 Ų54.23%0.02629%0.285CS..Hα-helixtrans-65.1-42.1174.6-61.5-171.4000110.8V7 R9 V54 A56 V59 E60 F65 I66V7-I62 HydrophobicContact CB-CD1 4.1Å; V7-I62 HydrophobicContact CG1-CD1 3.46Å; V7-I62 VanDerWaalsContact CG1-CD1 3.46Å; V7-I62 HydrophobicContact CG1-CG1 4.45Å; R9-I62 HydrophobicContact CB-CD1 3.93Å; R9-I62 HydrophobicContact CB-CG2 3.93Å; R9-I62 HydrophobicContact CG-CG2 4.45Å; V54-I62 HydrophobicContact CG1-CG1 4.28Å; A56-I62 HydrophobicContact CB-CD1 4.16Å; A56-I62 HydrophobicContact CB-CG1 3.51Å; V59-I62 WeakPolarHBondContact O-CB 3.43Å; V59-I62 PolarHBondContact O-N 2.81Å; V59-I62 VanDerWaalsContact O-N 3.12Å; E60-I62 VanDerWaalsContact C-N 3.32Å; E60-I62 PolarHBondContact O-N 2.85Å; I62-F65 PolarHBondContact O-N 3.06Å; I62-I66 HydrophobicContact CG2-CD1 3.87Å; I62-I66 HydrophobicContact CG2-CG1 4.38Å; I62-I66 VanDerWaalsContact O-CG1 3.3Å; I62-I66 WeakPolarHBondContact O-CG1 3.45Å; I62-I66 PolarHBondContact O-N 3.41Å
63A95.5Very high95.4Very high48 Ų4855 Ų5540%0.39729%0.289SS..Hα-helixtrans-60.9-48.5178.100000111.5V59 E60 F65 I66 D67V59-A63 PolarHBondContact O-N 2.73Å; V59-A63 VanDerWaalsContact O-N 3.16Å; E60-A63 PolarHBondContact O-N 2.88Å; A63-F65 VanDerWaalsContact C-N 3.3Å; A63-F65 PolarHBondContact O-N 3.18Å; A63-I66 WeakPolarHBondContact O-CB 3.37Å; A63-I66 PolarHBondContact O-N 2.94Å; A63-I66 VanDerWaalsContact O-N 3.15Å; A63-D67 PolarHBondContact O-N 3.04Å
64L96.4Very high95.2Very high102 Ų10255.7 Ų55.753%0.53430%0.3SS..Hα-helixtrans-60.8-38.6175.8-69.3173.3000112.5F31 E60 D67 R68F31-L64 HydrophobicContact CE1-CB 3.66Å; F31-L64 HydrophobicContact CZ-CB 4.02Å; E60-L64 WeakPolarHBondContact O-CG 3.48Å; E60-L64 PolarHBondContact O-N 3.16Å; L64-D67 PolarHBondContact O-N 2.82Å; L64-R68 WeakPolarHBondContact O-CB 3.34Å; L64-R68 PolarHBondContact O-N 2.95Å
65F96.4Very high94.8Very high0 Ų061.6 Ų61.60%034%0.338CS..Hα-helixtrans-64.8-41.8175.1176.9-101.2000112L11 A27 V28 F31 L35 V37 V54 V61 I62 A63 R68 I69L11-F65 HydrophobicContact CD1-CD1 4.24Å; L11-F65 HydrophobicContact CD1-CE1 4.05Å; A27-F65 HydrophobicContact CB-CD2 4.48Å; A27-F65 HydrophobicContact CB-CE2 3.86Å; V28-F65 HydrophobicContact CG2-CE2 3.85Å; V28-F65 HydrophobicContact CG2-CZ 4.31Å; F31-F65 AromaticContact CD2-CD2 3.99Å; F31-F65 HydrophobicContact CD2-CD2 3.99Å; F31-F65 HydrophobicContact CE1-CB 4.37Å; F31-F65 HydrophobicContact CE2-CB 4.03Å; F31-F65 AromaticContact CE2-CD2 3.76Å; F31-F65 HydrophobicContact CE2-CD2 3.76Å; F31-F65 HydrophobicContact CE2-CG 4.4Å; F31-F65 VanDerWaalsContact CZ-CA 3.44Å; F31-F65 HydrophobicContact CZ-CB 3.93Å; L35-F65 HydrophobicContact CD1-CB 3.7Å; L35-F65 HydrophobicContact CD1-CD1 4.46Å; L35-F65 HydrophobicContact CD1-CD2 4.2Å; L35-F65 HydrophobicContact CD1-CG 3.86Å; L35-F65 HydrophobicContact CD2-CD2 3.52Å; L35-F65 HydrophobicContact CD2-CE2 3.85Å; L35-F65 HydrophobicContact CD2-CG 4.02Å; V37-F65 HydrophobicContact CG1-CZ 4.45Å; V37-F65 HydrophobicContact CG2-CE1 4.09Å; V37-F65 HydrophobicContact CG2-CE2 4.12Å; V37-F65 HydrophobicContact CG2-CZ 3.76Å; V54-F65 HydrophobicContact CG1-CD1 3.84Å; V54-F65 HydrophobicContact CG1-CE1 4.22Å; V54-F65 HydrophobicContact CG1-CG 4.49Å; V54-F65 HydrophobicContact CG2-CD1 3.99Å; V54-F65 HydrophobicContact CG2-CE1 3.65Å; V61-F65 WeakPolarHBondContact O-CB 3.47Å; V61-F65 PolarHBondContact O-N 3.36Å; I62-F65 PolarHBondContact O-N 3.06Å; A63-F65 VanDerWaalsContact C-N 3.3Å; A63-F65 PolarHBondContact O-N 3.18Å; F65-R68 PolarHBondContact O-N 3.42Å; F65-I69 HydrophobicContact CE1-CB 4.4Å; F65-I69 HydrophobicContact CE1-CG2 4.22Å; F65-I69 HydrophobicContact CZ-CB 4.25Å; F65-I69 HydrophobicContact CZ-CD1 4.46Å; F65-I69 HydrophobicContact CZ-CG1 4.38Å; F65-I69 WeakPolarHBondContact O-CB 3.41Å; F65-I69 VanDerWaalsContact O-CG2 3.32Å; F65-I69 WeakPolarHBondContact O-CG2 3.23Å; F65-I69 PolarHBondContact O-N 2.81Å
66I95.1Very high94.6Very high18 Ų1857.6 Ų57.69%0.09232%0.322CS..Hα-helixtrans-59.6-46.2175.4-71.7166.3000110.5R9 L11 I62 A63 R68 I69 S70 L77 L79R9-I66 VanDerWaalsContact NH1-CD1 3.33Å; L11-I66 HydrophobicContact CD1-CG1 3.78Å; L11-I66 HydrophobicContact CD2-CD1 3.92Å; L11-I66 HydrophobicContact CD2-CG1 3.94Å; I62-I66 HydrophobicContact CG2-CD1 3.87Å; I62-I66 HydrophobicContact CG2-CG1 4.38Å; I62-I66 VanDerWaalsContact O-CG1 3.3Å; I62-I66 WeakPolarHBondContact O-CG1 3.45Å; I62-I66 PolarHBondContact O-N 3.41Å; A63-I66 WeakPolarHBondContact O-CB 3.37Å; A63-I66 PolarHBondContact O-N 2.94Å; A63-I66 VanDerWaalsContact O-N 3.15Å; I66-R68 PolarHBondContact O-N 2.89Å; I66-I69 WeakPolarHBondContact O-CG2 3.41Å; I66-I69 PolarHBondContact O-N 3.12Å; I66-S70 WeakPolarHBondContact O-CB 3.4Å; I66-S70 PolarHBondContact O-N 2.81Å; I66-L77 HydrophobicContact CG2-CD2 4.36Å; I66-L79 HydrophobicContact CG2-CD2 4.42Å
67D94.9Very high94.4Very high101 Ų10158.2 Ų58.254%0.5433%0.325SS..Hα-helixtrans-61.2-46.4178.1-68.3-20.8000111.1A63 L64 S70 M71A63-D67 PolarHBondContact O-N 3.04Å; L64-D67 PolarHBondContact O-N 2.82Å; D67-S70 WeakPolarHBondContact O-CB 3.16Å; D67-S70 PolarHBondContact O-N 3.41Å; D67-M71 WeakPolarHBondContact O-CG 3.47Å; D67-M71 PolarHBondContact O-N 3.29Å
68R95.2Very high94.2Very high107 Ų10758.8 Ų58.840%0.40433%0.325SS..Hα-helixtrans-62.6-47.3179.6-179.961.2174.3-150.9-1.1112.8A27 C30 F31 L64 F65 I66 S70 M71 S72A27-R68 HydrophobicContact CB-CG 4.03Å; C30-R68 PolarHBondContact SG-NH2 2.98Å; F31-R68 HydrophobicContact CE2-CB 4.33Å; F31-R68 HydrophobicContact CE2-CG 4.42Å; F31-R68 HydrophobicContact CZ-CB 4.38Å; L64-R68 WeakPolarHBondContact O-CB 3.34Å; L64-R68 PolarHBondContact O-N 2.95Å; F65-R68 PolarHBondContact O-N 3.42Å; I66-R68 PolarHBondContact O-N 2.89Å; R68-S70 VanDerWaalsContact C-N 3.34Å; R68-M71 PolarHBondContact O-N 2.93Å; R68-S72 PolarHBondContact O-N 2.86Å; R68-S72 PolarHBondContact O-OG 3.46Å
69I94.5Very high93.7Very high0 Ų057.4 Ų57.40%032%0.324CS..Hα-helixtrans-71.9-33-179.1-160.771.2000110.7I24 A27 F65 I66 M71 S72 L73 L77I24-I69 HydrophobicContact CG1-CD1 4.2Å; A27-I69 HydrophobicContact CB-CB 4.43Å; A27-I69 HydrophobicContact CB-CD1 3.55Å; F65-I69 HydrophobicContact CE1-CB 4.4Å; F65-I69 HydrophobicContact CE1-CG2 4.22Å; F65-I69 HydrophobicContact CZ-CB 4.25Å; F65-I69 HydrophobicContact CZ-CD1 4.46Å; F65-I69 HydrophobicContact CZ-CG1 4.38Å; F65-I69 WeakPolarHBondContact O-CB 3.41Å; F65-I69 VanDerWaalsContact O-CG2 3.32Å; F65-I69 WeakPolarHBondContact O-CG2 3.23Å; F65-I69 PolarHBondContact O-N 2.81Å; I66-I69 WeakPolarHBondContact O-CG2 3.41Å; I66-I69 PolarHBondContact O-N 3.12Å; I69-M71 PolarHBondContact O-N 3.24Å; I69-S72 PolarHBondContact O-N 3.33Å; I69-S72 VanDerWaalsContact O-N 3.09Å; I69-L73 HydrophobicContact CD1-CD1 4.01Å; I69-L73 HydrophobicContact CD1-CG 4.17Å; I69-L73 HydrophobicContact CG1-CD1 3.5Å; I69-L73 HydrophobicContact CG1-CG 3.92Å; I69-L73 WeakPolarHBondContact O-CG 3.28Å; I69-L73 PolarHBondContact O-N 2.9Å; I69-L77 HydrophobicContact CG2-CD2 4.09Å
70S94.3Very high93.3Very high49 Ų4959.5 Ų59.534%0.34333%0.332SS..Hα-helixtrans-60.6-43.1172.9-176.20000111.8I66 D67 R68 S72 G74I66-S70 WeakPolarHBondContact O-CB 3.4Å; I66-S70 PolarHBondContact O-N 2.81Å; D67-S70 WeakPolarHBondContact O-CB 3.16Å; D67-S70 PolarHBondContact O-N 3.41Å; R68-S70 VanDerWaalsContact C-N 3.34Å; S70-S72 PolarHBondContact O-N 3.32Å; S70-G74 VanDerWaalsContact O-CA 3.27Å; S70-G74 WeakPolarHBondContact O-CA 3.44Å; S70-G74 PolarHBondContact O-N 3.04Å
71M94.1Very high93.1Very high161 Ų16155 Ų5579%0.79331%0.312SS*.Hα-helixtrans-60.6-29.9173.9-69.7178.171.400113.4D67 R68 I69D67-M71 WeakPolarHBondContact O-CG 3.47Å; D67-M71 PolarHBondContact O-N 3.29Å; R68-M71 PolarHBondContact O-N 2.93Å; I69-M71 PolarHBondContact O-N 3.24Å
72S92.9Very high93Very high47 Ų4756.2 Ų56.233%0.32932%0.319SS..Hα-helixtrans-88.5-37.1-176.5-55.30000112.8R68 I69 S70R68-S72 PolarHBondContact O-N 2.86Å; R68-S72 PolarHBondContact O-OG 3.46Å; I69-S72 PolarHBondContact O-N 3.33Å; I69-S72 VanDerWaalsContact O-N 3.09Å; S70-S72 PolarHBondContact O-N 3.32Å
73L93.1Very high92.8Very high17 Ų1758.7 Ų58.79%0.08933%0.331CS..Hα-helixtrans-99.8-18.1-175.6-54.1-179.8000113.3L13 I15 C20 L23 I69 G76 L77L13-L73 HydrophobicContact CD1-CD1 3.72Å; L13-L73 HydrophobicContact CD2-CD1 3.38Å; L13-L73 HydrophobicContact CG-CD1 4.18Å; I15-L73 HydrophobicContact CD1-CB 4.34Å; I15-L73 HydrophobicContact CD1-CD1 4.47Å; I15-L73 HydrophobicContact CD1-CD2 3.66Å; I15-L73 HydrophobicContact CD1-CG 4.35Å; C20-L73 HydrophobicContact CB-CD2 4.11Å; L23-L73 HydrophobicContact CB-CD2 3.72Å; L23-L73 HydrophobicContact CD1-CD2 3.47Å; L23-L73 VanDerWaalsContact CD1-CD2 3.47Å; L23-L73 HydrophobicContact CG-CD2 4.24Å; I69-L73 HydrophobicContact CD1-CD1 4.01Å; I69-L73 HydrophobicContact CD1-CG 4.17Å; I69-L73 HydrophobicContact CG1-CD1 3.5Å; I69-L73 HydrophobicContact CG1-CG 3.92Å; I69-L73 WeakPolarHBondContact O-CG 3.28Å; I69-L73 PolarHBondContact O-N 2.9Å; L73-G76 WeakPolarHBondContact O-CA 3.27Å; L73-G76 PolarHBondContact O-N 2.81Å; L73-L77 HydrophobicContact CB-CB 4.5Å
74G91.4Very high92.7Very high33 Ų3361.2 Ų61.234%0.3434%0.335SS..G310 helixtrans49.7-126.1-175.500000112S70 G76 L77S70-G74 VanDerWaalsContact O-CA 3.27Å; S70-G74 WeakPolarHBondContact O-CA 3.44Å; S70-G74 PolarHBondContact O-N 3.04Å; G74-G76 PolarHBondContact O-N 2.86Å; G74-L77 PolarHBondContact O-N 2.72Å
75P89Confident92.7Very high124 Ų12456.5 Ų56.581%0.80531%0.31SS*.G310 helixtrans-67-6.9-18031.4-36.4000113.7L77P75-L77 PolarHBondContact O-N 2.95Å
76G92.2Very high92.6Very high5 Ų557.1 Ų57.15%0.05231%0.314CS..G310 helixtrans-65.7-25.6172.100000113.4L13 S14 L73 G74L13-G76 CarbonylContact C-O 3.56Å; L13-G76 WeakPolarHBondContact CA-O 3.48Å; S14-G76 PolarHBondContact N-O 3.31Å; S14-G76 WeakPolarHBondContact OG-CA 3.45Å; S14-G76 PolarHBondContact OG-O 2.79Å; L73-G76 WeakPolarHBondContact O-CA 3.27Å; L73-G76 PolarHBondContact O-N 2.81Å; G74-G76 PolarHBondContact O-N 2.86Å
77L94.2Very high92.6Very high13 Ų1361.6 Ų61.67%0.06833%0.333CS..EExtended strand (participates in β ladder)trans-84.6122.4174.6177.865.7000110.6L11 L13 I66 I69 L73 G74 P75 L79L11-L77 HydrophobicContact CB-CD1 4.15Å; L11-L77 HydrophobicContact CD1-CD1 4.44Å; L13-L77 HydrophobicContact CD2-CB 4.31Å; L13-L77 HydrophobicContact CD2-CD1 3.65Å; I66-L77 HydrophobicContact CG2-CD2 4.36Å; I69-L77 HydrophobicContact CG2-CD2 4.09Å; L73-L77 HydrophobicContact CB-CB 4.5Å; G74-L77 PolarHBondContact O-N 2.72Å; P75-L77 PolarHBondContact O-N 2.95Å; L77-L79 HydrophobicContact CD2-CD2 3.82Å; L77-L79 HydrophobicContact CG-CD2 4.02Å
78L90.9Very high92.6Very high41 Ų4162.9 Ų62.922%0.21534%0.336CS..EExtended strand (participates in β ladder)trans-103.3108.4-179-51172.9000109.9Y12 Y47 C48 V81Y12-L78 WeakPolarHBondContact O-CB 3.42Å; Y12-L78 PolarHBondContact O-N 3.14Å; Y47-L78 WeakPolarHBondContact O-CD1 3.27Å; C48-L78 HydrophobicContact CB-CD1 3.84Å; L78-V81 HydrophobicContact CB-CG2 3.4Å; L78-V81 VanDerWaalsContact CB-CG2 3.4Å; L78-V81 HydrophobicContact CD1-CG2 3.66Å; L78-V81 HydrophobicContact CG-CG2 4.18Å
79L84.9Confident92.6Very high104 Ų10457.8 Ų57.855%0.54532%0.317SS..THydrogen-bonded Turntrans-77.5-26.5-173-63.1177.7000114I66 L77I66-L79 HydrophobicContact CG2-CD2 4.42Å; L77-L79 HydrophobicContact CD2-CD2 3.82Å; L77-L79 HydrophobicContact CG-CD2 4.02Å
80N86Confident92.8Very high136 Ų13658.8 Ų58.873%0.72732%0.323SS*.THydrogen-bonded Turntrans-125.446.4-169.6-62.6-34.4000112.3C265N80-C265 PolarHBondContact O-SG 2.96Å
81V92.5Very high92.9Very high24 Ų2459.4 Ų59.415%0.14533%0.326CS..  trans-91.5122.6175.6172.30000110.3Y12 L78 L83Y12-V81 HydrophobicContact CD1-CG1 4.3Å; Y12-V81 HydrophobicContact CD2-CB 3.59Å; Y12-V81 HydrophobicContact CD2-CG1 3.84Å; Y12-V81 HydrophobicContact CE2-CB 4.3Å; Y12-V81 HydrophobicContact CE2-CG1 4.28Å; Y12-V81 WeakPolarHBondContact CE2-O 3.33Å; Y12-V81 HydrophobicContact CG-CB 3.85Å; Y12-V81 HydrophobicContact CG-CG1 3.82Å; L78-V81 HydrophobicContact CB-CG2 3.4Å; L78-V81 VanDerWaalsContact CB-CG2 3.4Å; L78-V81 HydrophobicContact CD1-CG2 3.66Å; L78-V81 HydrophobicContact CG-CG2 4.18Å; V81-L83 HydrophobicContact CG1-CD2 3.7Å; V81-L83 HydrophobicContact CG1-CG 4.07Å
82D93.3Very high93.1Very high46 Ų4654 Ų5425%0.24630%0.298CS..  trans-112.1111.6170.9-177.65.6000109.2E84 P85 K92 C265D82-E84 VanDerWaalsContact C-N 3.29Å; D82-E84 VanDerWaalsContact OD1-C 3.31Å; D82-E84 WeakPolarHBondContact OD1-CA 3.15Å; D82-E84 PolarHBondContact OD1-N 3.31Å; D82-P85 WeakPolarHBondContact OD2-CA 3.27Å; D82-K92 IonicContact OD1-NZ 3.35Å; D82-K92 PolarHBondContact OD1-NZ 2.74Å; D82-K92 WeakPolarHBondContact OD2-CD 3.47Å; D82-K92 WeakPolarHBondContact OD2-CE 3.43Å; D82-K92 IonicContact OD2-NZ 3.41Å; D82-K92 PolarHBondContact OD2-NZ 3.18Å; D82-C265 HydrophobicContact CB-CB 4.28Å; D82-C265 WeakPolarHBondContact O-CB 3.33Å
83L92.4Very high93.3Very high56 Ų5651.9 Ų51.929%0.29328%0.282SS..SBendtrans-84.4-5.1177.3-63.2-174.9000113Y12 V42 N45 V81Y12-L83 HydrophobicContact CD1-CD1 4.13Å; Y12-L83 HydrophobicContact CE1-CD1 3.37Å; Y12-L83 HydrophobicContact CE1-CG 3.93Å; V42-L83 HydrophobicContact CG1-CD1 3.95Å; N45-L83 HydrophobicContact CB-CD2 4.38Å; V81-L83 HydrophobicContact CG1-CD2 3.7Å; V81-L83 HydrophobicContact CG1-CG 4.07Å
84E93.8Very high93.6Very high101 Ų10153.5 Ų53.547%0.47229%0.29SS..  trans-125.852.5-180-54-158.9100.600112D82 V86 K87 K92D82-E84 VanDerWaalsContact C-N 3.29Å; D82-E84 VanDerWaalsContact OD1-C 3.31Å; D82-E84 WeakPolarHBondContact OD1-CA 3.15Å; D82-E84 PolarHBondContact OD1-N 3.31Å; E84-V86 PolarHBondContact O-N 2.99Å; E84-K87 HydrophobicContact CB-CB 4.35Å; E84-K87 HydrophobicContact CB-CD 4.03Å; E84-K87 HydrophobicContact CB-CG 4.21Å; E84-K87 HydrophobicContact CG-CD 4.49Å; E84-K87 PolarHBondContact O-N 2.84Å; E84-K87 WeakPolarHBondContact OE1-CE 3.42Å; E84-K87 IonicContact OE1-NZ 2.79Å; E84-K87 PolarHBondContact OE1-NZ 3.47Å; E84-K87 IonicContact OE2-NZ 3.36Å; E84-K87 PolarHBondContact OE2-NZ 2.91Å; E84-K92 PolarHBondContact O-NZ 2.66Å
85P95.1Very high93.9Very high3 Ų355.7 Ų55.72%0.01930%0.296CS..THydrogen-bonded Turntrans-64-22.4-16928.8-38.6000113.8D82 H145 L264 C265 I266D82-P85 WeakPolarHBondContact OD2-CA 3.27Å; P85-H145 PolarHBondContact O-CE1 3.22Å; P85-L264 WeakPolarHBondContact CB-O 3.33Å; P85-C265 WeakPolarHBondContact CG-O 3.38Å; P85-I266 HydrophobicContact CB-CG1 4.35Å
86V95.4Very high94.3Very high13 Ų1350 Ų508%0.07926%0.259CS..THydrogen-bonded Turntrans-79.2-23.2179.5-1770000112.4E84 R148 R187 Y188E84-V86 PolarHBondContact O-N 2.99Å; V86-R148 HydrophobicContact CG1-CG 4.1Å; V86-R187 HydrophobicContact CB-CG 4.35Å; V86-R187 HydrophobicContact CG2-CG 3.81Å; V86-Y188 HydrophobicContact CB-CE1 4.38Å; V86-Y188 HydrophobicContact CG1-CD1 3.72Å; V86-Y188 HydrophobicContact CG1-CE1 3.87Å; V86-Y188 HydrophobicContact CG1-CG 4.22Å; V86-Y188 HydrophobicContact CG2-CD1 4.13Å; V86-Y188 HydrophobicContact CG2-CD2 4.26Å; V86-Y188 HydrophobicContact CG2-CE1 3.6Å; V86-Y188 HydrophobicContact CG2-CE2 3.78Å; V86-Y188 HydrophobicContact CG2-CG 4.44Å; V86-Y188 VanDerWaalsContact CG2-CZ 3.42Å
87K94.7Very high94.6Very high112 Ų11250.9 Ų50.949%0.48726%0.262SS..THydrogen-bonded Turntrans-73.6141.6173.4-69.9-172.3179.3171.30109.8E84 A89 K92E84-K87 HydrophobicContact CB-CB 4.35Å; E84-K87 HydrophobicContact CB-CD 4.03Å; E84-K87 HydrophobicContact CB-CG 4.21Å; E84-K87 HydrophobicContact CG-CD 4.49Å; E84-K87 PolarHBondContact O-N 2.84Å; E84-K87 WeakPolarHBondContact OE1-CE 3.42Å; E84-K87 IonicContact OE1-NZ 2.79Å; E84-K87 PolarHBondContact OE1-NZ 3.47Å; E84-K87 IonicContact OE2-NZ 3.36Å; E84-K87 PolarHBondContact OE2-NZ 2.91Å; K87-A89 PolarHBondContact O-N 2.64Å; K87-K92 VanDerWaalsContact O-CD 3.27Å; K87-K92 WeakPolarHBondContact O-CD 3.31Å; K87-K92 WeakPolarHBondContact O-CE 3.4Å; K87-K92 PolarHBondContact O-NZ 2.82Å
88E94.2Very high94.9Very high129 Ų12957.2 Ų57.260%0.60329%0.285SS*.THydrogen-bonded Turntrans53.244.1177.6-55.5-179.894.500111.9V90 P91 K92E88-V90 PolarHBondContact O-N 3.21Å; E88-P91 HydrophobicContact CB-CG 3.8Å; E88-P91 WeakPolarHBondContact O-CD 3.39Å; E88-P91 VanDerWaalsContact O-CG 3.29Å; E88-P91 WeakPolarHBondContact O-CG 3.47Å; E88-K92 WeakPolarHBondContact O-CG 3.48Å; E88-K92 PolarHBondContact O-N 3.32Å
89A95.6Very high95.2Very high0 Ų059.3 Ų59.30%029%0.29CS..Hα-helixtrans-58.6-34.9-172.500000112.4K87 M93 R148 E152K87-A89 PolarHBondContact O-N 2.64Å; A89-M93 WeakPolarHBondContact O-CB 3.22Å; A89-M93 PolarHBondContact O-N 3.33Å; A89-R148 HydrophobicContact CB-CG 4.23Å; A89-E152 PolarHBondContact N-OE2 3.21Å
90V98.2Very high95.8Very high21 Ų2154.4 Ų54.413%0.12726%0.264CS..Hα-helixtrans-62.8-62.5178.3173.30000113.2E88 K92 M93 E94 Y149 E152 K153E88-V90 PolarHBondContact O-N 3.21Å; V90-K92 PolarHBondContact O-N 3.03Å; V90-M93 PolarHBondContact O-N 2.86Å; V90-E94 HydrophobicContact CG1-CG 4.4Å; V90-E94 WeakPolarHBondContact O-CB 3.25Å; V90-E94 WeakPolarHBondContact O-CG 3.28Å; V90-E94 PolarHBondContact O-N 2.76Å; V90-Y149 HydrophobicContact CB-CD2 4.45Å; V90-Y149 HydrophobicContact CB-CE2 4.38Å; V90-Y149 HydrophobicContact CG1-CE2 4.33Å; V90-Y149 HydrophobicContact CG2-CD2 4.04Å; V90-Y149 HydrophobicContact CG2-CE2 4.15Å; V90-E152 HydrophobicContact CB-CG 4.49Å; V90-E152 HydrophobicContact CG2-CB 3.78Å; V90-E152 HydrophobicContact CG2-CG 3.55Å; V90-K153 HydrophobicContact CG1-CD 4.1Å; V90-K153 HydrophobicContact CG2-CB 4.09Å
91P97.7Very high96.4Very high62 Ų6250 Ų5040%0.40325%0.247SC..Hα-helixtrans-61.4-33.1-17923.6-35.1000112.8E88 T95E88-P91 HydrophobicContact CB-CG 3.8Å; E88-P91 WeakPolarHBondContact O-CD 3.39Å; E88-P91 VanDerWaalsContact O-CG 3.29Å; E88-P91 WeakPolarHBondContact O-CG 3.47Å; P91-T95 VanDerWaalsContact O-CB 3.31Å; P91-T95 WeakPolarHBondContact O-CB 3.47Å; P91-T95 PolarHBondContact O-N 2.79Å; P91-T95 PolarHBondContact O-OG1 3.02Å
92K97.5Very high96.7Very high48 Ų4855 Ų5521%0.20928%0.278CS..Hα-helixtrans-66-50.7175.6-69.2-179.5-175.6-179.60112D82 E84 K87 E88 V90 E94 T95 Y96D82-K92 IonicContact OD1-NZ 3.35Å; D82-K92 PolarHBondContact OD1-NZ 2.74Å; D82-K92 WeakPolarHBondContact OD2-CD 3.47Å; D82-K92 WeakPolarHBondContact OD2-CE 3.43Å; D82-K92 IonicContact OD2-NZ 3.41Å; D82-K92 PolarHBondContact OD2-NZ 3.18Å; E84-K92 PolarHBondContact O-NZ 2.66Å; K87-K92 VanDerWaalsContact O-CD 3.27Å; K87-K92 WeakPolarHBondContact O-CD 3.31Å; K87-K92 WeakPolarHBondContact O-CE 3.4Å; K87-K92 PolarHBondContact O-NZ 2.82Å; E88-K92 WeakPolarHBondContact O-CG 3.48Å; E88-K92 PolarHBondContact O-N 3.32Å; V90-K92 PolarHBondContact O-N 3.03Å; K92-E94 PolarHBondContact O-N 3.28Å; K92-T95 PolarHBondContact O-N 2.81Å; K92-Y96 WeakPolarHBondContact O-CB 3.37Å; K92-Y96 PolarHBondContact O-N 3.23Å
93M98.2Very high96.9Very high1 Ų158.3 Ų58.31%0.00529%0.291CS..Hα-helixtrans-64.2-39.1178.8-173.368.7161.200112.1A89 V90 Y96 L97 L111 V115 I146 Y149 F260 L264A89-M93 WeakPolarHBondContact O-CB 3.22Å; A89-M93 PolarHBondContact O-N 3.33Å; V90-M93 PolarHBondContact O-N 2.86Å; M93-Y96 WeakPolarHBondContact O-CB 3.44Å; M93-Y96 PolarHBondContact O-N 3.07Å; M93-Y96 HydrophobicContact SD-CD1 4.31Å; M93-L97 HydrophobicContact CG-CD1 4.17Å; M93-L97 WeakPolarHBondContact O-CB 3.18Å; M93-L97 VanDerWaalsContact O-CG 3.31Å; M93-L97 WeakPolarHBondContact O-CG 3.21Å; M93-L97 PolarHBondContact O-N 3.1Å; M93-L111 HydrophobicContact CE-CD1 3.89Å; M93-V115 HydrophobicContact CE-CG2 3.44Å; M93-V115 VanDerWaalsContact CE-CG2 3.44Å; M93-I146 HydrophobicContact CE-CG1 4.18Å; M93-Y149 HydrophobicContact CB-CD2 3.36Å; M93-Y149 HydrophobicContact CB-CE2 3.75Å; M93-Y149 HydrophobicContact CB-CG 3.95Å; M93-Y149 HydrophobicContact CG-CD1 4.11Å; M93-Y149 HydrophobicContact CG-CD2 3.52Å; M93-Y149 HydrophobicContact CG-CE1 4.39Å; M93-Y149 HydrophobicContact CG-CE2 3.81Å; M93-Y149 HydrophobicContact CG-CG 3.67Å; M93-F260 HydrophobicContact CE-CE2 3.75Å; M93-F260 HydrophobicContact CE-CZ 3.93Å; M93-F260 HydrophobicContact SD-CE2 3.94Å; M93-F260 HydrophobicContact SD-CZ 4.02Å; M93-L264 HydrophobicContact SD-CD1 4.22Å
94E98.3Very high97.1Very high52 Ų5258 Ų5824%0.24329%0.29CS..Hα-helixtrans-68.8-38177.6-72-17717600112.6V90 K92 Y96 L97 R98 Y149 K153V90-E94 HydrophobicContact CG1-CG 4.4Å; V90-E94 WeakPolarHBondContact O-CB 3.25Å; V90-E94 WeakPolarHBondContact O-CG 3.28Å; V90-E94 PolarHBondContact O-N 2.76Å; K92-E94 PolarHBondContact O-N 3.28Å; E94-Y96 VanDerWaalsContact C-N 3.32Å; E94-L97 PolarHBondContact O-N 3.03Å; E94-R98 WeakPolarHBondContact O-CG 3.36Å; E94-R98 PolarHBondContact O-N 3.16Å; E94-R98 PolarHBondContact O-NH1 3.31Å; E94-Y149 HydrophobicContact CG-CE2 4.25Å; E94-K153 IonicContact OE1-NZ 3.36Å; E94-K153 PolarHBondContact OE1-NZ 2.95Å
95T98Very high97.3Very high78 Ų7856.8 Ų56.848%0.47930%0.297SS..Hα-helixtrans-63.6-42.2172.2-59.90000110.7P91 K92 R98 R99P91-T95 VanDerWaalsContact O-CB 3.31Å; P91-T95 WeakPolarHBondContact O-CB 3.47Å; P91-T95 PolarHBondContact O-N 2.79Å; P91-T95 PolarHBondContact O-OG1 3.02Å; K92-T95 PolarHBondContact O-N 2.81Å; T95-R98 PolarHBondContact O-N 2.87Å; T95-R98 PolarHBondContact OG1-NH2 3.02Å; T95-R99 WeakPolarHBondContact O-CB 3.44Å; T95-R99 PolarHBondContact O-N 3.09Å
96Y98.2Very high97.5Very high5 Ų563.4 Ų63.42%0.0233%0.328CS..Hα-helixtrans-63.4-46.4176-179-122.6000112.7K92 M93 E94 R98 R99 V100 F107 L111 F260 D263 L264K92-Y96 WeakPolarHBondContact O-CB 3.37Å; K92-Y96 PolarHBondContact O-N 3.23Å; M93-Y96 WeakPolarHBondContact O-CB 3.44Å; M93-Y96 PolarHBondContact O-N 3.07Å; M93-Y96 HydrophobicContact SD-CD1 4.31Å; E94-Y96 VanDerWaalsContact C-N 3.32Å; Y96-R98 VanDerWaalsContact C-N 3.34Å; Y96-R98 PolarHBondContact O-N 3.07Å; Y96-R99 VanDerWaalsContact CE2-NH2 3.26Å; Y96-R99 WeakPolarHBondContact O-CB 3.49Å; Y96-R99 PolarHBondContact O-N 3.17Å; Y96-R99 VanDerWaalsContact O-N 3.15Å; Y96-V100 HydrophobicContact CD1-CG2 4.43Å; Y96-V100 HydrophobicContact CD2-CG2 3.79Å; Y96-V100 HydrophobicContact CE1-CG2 4.07Å; Y96-V100 HydrophobicContact CE2-CG2 3.32Å; Y96-V100 HydrophobicContact CG-CG2 4.33Å; Y96-V100 WeakPolarHBondContact O-CG2 3.27Å; Y96-V100 PolarHBondContact O-N 2.96Å; Y96-F107 VanDerWaalsContact OH-CE1 3.3Å; Y96-F107 WeakPolarHBondContact OH-CE1 3.43Å; Y96-L111 HydrophobicContact CD1-CD2 3.99Å; Y96-L111 HydrophobicContact CE1-CD2 3.69Å; Y96-F260 HydrophobicContact CD1-CE2 4.32Å; Y96-F260 AromaticContact CE1-CD2 3.69Å; Y96-F260 HydrophobicContact CE1-CD2 3.69Å; Y96-F260 AromaticContact CE1-CE2 3.9Å; Y96-F260 HydrophobicContact CE1-CE2 3.9Å; Y96-D263 HydrophobicContact CD2-CB 4.28Å; Y96-D263 HydrophobicContact CE2-CB 3.37Å; Y96-D263 WeakPolarHBondContact CE2-OD2 3.49Å; Y96-D263 WeakPolarHBondContact OH-CB 3.24Å; Y96-D263 PolarHBondContact OH-OD2 2.87Å; Y96-L264 HydrophobicContact CD1-CD1 3.82Å; Y96-L264 HydrophobicContact CD1-CD2 4.12Å; Y96-L264 HydrophobicContact CD1-CG 3.99Å; Y96-L264 HydrophobicContact CD2-CD2 4.34Å; Y96-L264 HydrophobicContact CD2-CG 4.49Å; Y96-L264 HydrophobicContact CE1-CD1 4.05Å; Y96-L264 HydrophobicContact CE1-CG 4.22Å; Y96-L264 HydrophobicContact CG-CD1 4.38Å; Y96-L264 HydrophobicContact CG-CD2 3.83Å; Y96-L264 HydrophobicContact CG-CG 4.11Å
97L98.5Very high97.6Very high24 Ų2462.9 Ų62.913%0.12633%0.325CS..Hα-helixtrans-56.4-45.6175.2-78.7164000111.8M93 E94 R99 V100 A101 F108 L111M93-L97 HydrophobicContact CG-CD1 4.17Å; M93-L97 WeakPolarHBondContact O-CB 3.18Å; M93-L97 VanDerWaalsContact O-CG 3.31Å; M93-L97 WeakPolarHBondContact O-CG 3.21Å; M93-L97 PolarHBondContact O-N 3.1Å; E94-L97 PolarHBondContact O-N 3.03Å; L97-R99 PolarHBondContact O-N 2.91Å; L97-V100 PolarHBondContact O-N 3Å; L97-A101 WeakPolarHBondContact O-CB 3.4Å; L97-A101 PolarHBondContact O-N 2.96Å; L97-F108 HydrophobicContact CD2-CE2 4.28Å; L97-L111 HydrophobicContact CD2-CD2 3.68Å; L97-L111 HydrophobicContact CD2-CG 3.71Å; L97-L111 HydrophobicContact CG-CD2 4.45Å
98R98.4Very high97.8Very high145 Ų14560.8 Ų60.855%0.54732%0.316SS..Hα-helixtrans-62.2-41.7176.1-75-172.3-64-88.21.5112.3E94 T95 Y96E94-R98 WeakPolarHBondContact O-CG 3.36Å; E94-R98 PolarHBondContact O-N 3.16Å; E94-R98 PolarHBondContact O-NH1 3.31Å; T95-R98 PolarHBondContact O-N 2.87Å; T95-R98 PolarHBondContact OG1-NH2 3.02Å; Y96-R98 VanDerWaalsContact C-N 3.34Å; Y96-R98 PolarHBondContact O-N 3.07Å
99R97.9Very high98Very high86 Ų8658 Ų5833%0.32531%0.31SS..Hα-helixtrans-62.8-52.1177.7-174.1-177.182.1-158.46.4110.9T95 Y96 L97 A101 V102 E103 D263T95-R99 WeakPolarHBondContact O-CB 3.44Å; T95-R99 PolarHBondContact O-N 3.09Å; Y96-R99 VanDerWaalsContact CE2-NH2 3.26Å; Y96-R99 WeakPolarHBondContact O-CB 3.49Å; Y96-R99 PolarHBondContact O-N 3.17Å; Y96-R99 VanDerWaalsContact O-N 3.15Å; L97-R99 PolarHBondContact O-N 2.91Å; R99-A101 VanDerWaalsContact C-N 3.28Å; R99-A101 PolarHBondContact O-N 2.81Å; R99-V102 PolarHBondContact O-N 2.97Å; R99-E103 VanDerWaalsContact CD-OE1 3.23Å; R99-E103 WeakPolarHBondContact CD-OE1 3.4Å; R99-E103 VanDerWaalsContact CG-CD 3.43Å; R99-E103 HydrophobicContact CG-CG 4.26Å; R99-E103 WeakPolarHBondContact CG-OE1 3.42Å; R99-E103 IonicContact NE-OE1 2.7Å; R99-E103 IonicContact NE-OE2 2.71Å; R99-E103 PolarHBondContact NE-OE2 2.65Å; R99-E103 WeakPolarHBondContact O-CG 3.44Å; R99-E103 PolarHBondContact O-N 3.45Å; R99-D263 VanDerWaalsContact NH2-CG 3.3Å; R99-D263 IonicContact NH2-OD1 2.67Å; R99-D263 IonicContact NH2-OD2 3.44Å; R99-D263 PolarHBondContact NH2-OD2 3.5Å
100V98.1Very high98.1Very high0 Ų060.2 Ų60.20%032%0.32CS..Hα-helixtrans-62.6-34.7-179.1173.70000111.9Y96 L97 V102 E103 D104 F107 F108Y96-V100 HydrophobicContact CD1-CG2 4.43Å; Y96-V100 HydrophobicContact CD2-CG2 3.79Å; Y96-V100 HydrophobicContact CE1-CG2 4.07Å; Y96-V100 HydrophobicContact CE2-CG2 3.32Å; Y96-V100 HydrophobicContact CG-CG2 4.33Å; Y96-V100 WeakPolarHBondContact O-CG2 3.27Å; Y96-V100 PolarHBondContact O-N 2.96Å; L97-V100 PolarHBondContact O-N 3Å; V100-V102 PolarHBondContact O-N 3.16Å; V100-E103 PolarHBondContact O-N 3.2Å; V100-D104 CarbonylContact O-C 3.49Å; V100-D104 PolarHBondContact O-N 3.3Å; V100-F107 HydrophobicContact CG1-CD1 3.43Å; V100-F107 VanDerWaalsContact CG1-CD1 3.43Å; V100-F107 HydrophobicContact CG1-CE1 4Å; V100-F107 HydrophobicContact CG1-CG 4.34Å; V100-F107 HydrophobicContact CG2-CD1 4.3Å; V100-F107 HydrophobicContact CG2-CE1 4.2Å; V100-F108 HydrophobicContact CG1-CB 3.87Å; V100-F108 HydrophobicContact CG1-CD2 4.49Å
101A98.2Very high98.2Very high44 Ų4459.2 Ų59.236%0.36431%0.314SS..Hα-helixtrans-57.5-29.617500000113.6L97 R99 F108L97-A101 WeakPolarHBondContact O-CB 3.4Å; L97-A101 PolarHBondContact O-N 2.96Å; R99-A101 VanDerWaalsContact C-N 3.28Å; R99-A101 PolarHBondContact O-N 2.81Å; A101-F108 HydrophobicContact CB-CD1 4.22Å; A101-F108 HydrophobicContact CB-CD2 3.61Å; A101-F108 HydrophobicContact CB-CE1 4.24Å; A101-F108 HydrophobicContact CB-CE2 3.64Å; A101-F108 HydrophobicContact CB-CG 3.91Å; A101-F108 HydrophobicContact CB-CZ 3.96Å
102V98.2Very high98.2Very high130 Ų13057.6 Ų57.679%0.78830%0.304SS*.Hα-helixtrans-90.3-39.3177.8-178.80000111.4R99 V100R99-V102 PolarHBondContact O-N 2.97Å; V100-V102 PolarHBondContact O-N 3.16Å
103E97.7Very high98.3Very high114 Ų11458.3 Ų58.353%0.53331%0.314SS..Hα-helixtrans-77.9-37.9-173.9-70173.1173.800113.8R99 V100 R259R99-E103 VanDerWaalsContact CD-OE1 3.23Å; R99-E103 WeakPolarHBondContact CD-OE1 3.4Å; R99-E103 VanDerWaalsContact CG-CD 3.43Å; R99-E103 HydrophobicContact CG-CG 4.26Å; R99-E103 WeakPolarHBondContact CG-OE1 3.42Å; R99-E103 IonicContact NE-OE1 2.7Å; R99-E103 IonicContact NE-OE2 2.71Å; R99-E103 PolarHBondContact NE-OE2 2.65Å; R99-E103 WeakPolarHBondContact O-CG 3.44Å; R99-E103 PolarHBondContact O-N 3.45Å; V100-E103 PolarHBondContact O-N 3.2Å; E103-R259 IonicContact OE2-NH2 2.67Å
104D97.9Very high98.3Very high51 Ų5158.2 Ų58.227%0.27331%0.314SS..  trans-156.199-173.2-173.7-26.5000111.6V100 Q106 F107 F108 R259V100-D104 CarbonylContact O-C 3.49Å; V100-D104 PolarHBondContact O-N 3.3Å; D104-Q106 VanDerWaalsContact C-N 3.27Å; D104-Q106 PolarHBondContact O-N 2.8Å; D104-Q106 WeakPolarHBondContact OD1-CA 3.21Å; D104-Q106 WeakPolarHBondContact OD1-CB 3.41Å; D104-Q106 PolarHBondContact OD1-N 3.05Å; D104-F107 HydrophobicContact CB-CB 4.15Å; D104-F107 PolarHBondContact O-N 2.88Å; D104-F107 PolarHBondContact OD1-N 3.38Å; D104-F108 VanDerWaalsContact O-CB 3.22Å; D104-F108 WeakPolarHBondContact O-CB 3.21Å; D104-F108 PolarHBondContact O-N 3.43Å; D104-R259 VanDerWaalsContact CB-NH1 3.3Å; D104-R259 VanDerWaalsContact CG-NH1 3.32Å; D104-R259 IonicContact OD2-CZ 3.47Å; D104-R259 IonicContact OD2-NH1 2.72Å; D104-R259 PolarHBondContact OD2-NH1 3.25Å
105A97.9Very high98.3Very high75 Ų7556.1 Ų56.162%0.6231%0.305SS*.Hα-helixtrans-62.4-31.3179.800000113.5S109A105-S109 WeakPolarHBondContact O-CB 3.35Å; A105-S109 PolarHBondContact O-N 2.88Å
106Q98.1Very high98.3Very high142 Ų14255.3 Ų55.366%0.66430%0.302SS*.Hα-helixtrans-72.9-48.8-178.6-174.3-179.86.600110.5D104 S109 K110D104-Q106 VanDerWaalsContact C-N 3.27Å; D104-Q106 PolarHBondContact O-N 2.8Å; D104-Q106 WeakPolarHBondContact OD1-CA 3.21Å; D104-Q106 WeakPolarHBondContact OD1-CB 3.41Å; D104-Q106 PolarHBondContact OD1-N 3.05Å; Q106-S109 PolarHBondContact O-N 3.47Å; Q106-K110 PolarHBondContact O-N 3.39Å
107F98.4Very high98.4Very high1 Ų156.4 Ų56.40%0.00431%0.307CS..Hα-helixtrans-66.9-38.6175.8-179.9-119.1000111.5Y96 V100 D104 S109 K110 L111 W252 D256 R259 F260Y96-F107 VanDerWaalsContact OH-CE1 3.3Å; Y96-F107 WeakPolarHBondContact OH-CE1 3.43Å; V100-F107 HydrophobicContact CG1-CD1 3.43Å; V100-F107 VanDerWaalsContact CG1-CD1 3.43Å; V100-F107 HydrophobicContact CG1-CE1 4Å; V100-F107 HydrophobicContact CG1-CG 4.34Å; V100-F107 HydrophobicContact CG2-CD1 4.3Å; V100-F107 HydrophobicContact CG2-CE1 4.2Å; D104-F107 HydrophobicContact CB-CB 4.15Å; D104-F107 PolarHBondContact O-N 2.88Å; D104-F107 PolarHBondContact OD1-N 3.38Å; F107-S109 VanDerWaalsContact C-N 3.3Å; F107-S109 PolarHBondContact O-N 3.22Å; F107-K110 PolarHBondContact O-N 3.33Å; F107-L111 HydrophobicContact CE1-CD2 4.34Å; F107-L111 WeakPolarHBondContact O-CB 3.18Å; F107-L111 PolarHBondContact O-N 2.86Å; F107-W252 HydrophobicContact CE2-CE3 4.45Å; F107-W252 HydrophobicContact CE2-CH2 4.32Å; F107-W252 HydrophobicContact CE2-CZ3 4.17Å; F107-W252 HydrophobicContact CZ-CH2 4.45Å; F107-W252 HydrophobicContact CZ-CZ3 4.45Å; F107-D256 HydrophobicContact CD2-CB 3.98Å; F107-D256 VanDerWaalsContact CD2-OD1 3.26Å; F107-D256 WeakPolarHBondContact CD2-OD1 3.38Å; F107-D256 HydrophobicContact CE2-CB 3.77Å; F107-R259 HydrophobicContact CD1-CG 4.45Å; F107-R259 VanDerWaalsContact CD1-CZ 3.42Å; F107-R259 HydrophobicContact CE1-CG 4.05Å; F107-R259 HydrophobicContact CZ-CG 4.34Å; F107-F260 HydrophobicContact CZ-CB 4.27Å
108F98.6Very high98.4Very high69 Ų6955.3 Ų55.330%0.30330%0.301SS..Hα-helixtrans-54.8-44.8173.1177.4-110.7000112.4L97 V100 A101 D104 L111 S112L97-F108 HydrophobicContact CD2-CE2 4.28Å; V100-F108 HydrophobicContact CG1-CB 3.87Å; V100-F108 HydrophobicContact CG1-CD2 4.49Å; A101-F108 HydrophobicContact CB-CD1 4.22Å; A101-F108 HydrophobicContact CB-CD2 3.61Å; A101-F108 HydrophobicContact CB-CE1 4.24Å; A101-F108 HydrophobicContact CB-CE2 3.64Å; A101-F108 HydrophobicContact CB-CG 3.91Å; A101-F108 HydrophobicContact CB-CZ 3.96Å; D104-F108 VanDerWaalsContact O-CB 3.22Å; D104-F108 WeakPolarHBondContact O-CB 3.21Å; D104-F108 PolarHBondContact O-N 3.43Å; F108-L111 PolarHBondContact O-N 3.46Å; F108-S112 WeakPolarHBondContact CE2-OG 3.27Å; F108-S112 VanDerWaalsContact CZ-OG 3.23Å; F108-S112 WeakPolarHBondContact CZ-OG 3.44Å; F108-S112 VanDerWaalsContact O-CB 3.23Å; F108-S112 WeakPolarHBondContact O-CB 3.35Å; F108-S112 PolarHBondContact O-N 2.79Å; F108-S112 PolarHBondContact O-OG 3.21Å
109S98.6Very high98.4Very high69 Ų6949.9 Ų49.948%0.48328%0.283SS..Hα-helixtrans-61-47.6178.6-179.30000111.6A105 Q106 F107 L111 S112 C113A105-S109 WeakPolarHBondContact O-CB 3.35Å; A105-S109 PolarHBondContact O-N 2.88Å; Q106-S109 PolarHBondContact O-N 3.47Å; F107-S109 VanDerWaalsContact C-N 3.3Å; F107-S109 PolarHBondContact O-N 3.22Å; S109-L111 PolarHBondContact O-N 3.09Å; S109-S112 PolarHBondContact O-N 3.06Å; S109-C113 VanDerWaalsContact O-CB 3.32Å; S109-C113 WeakPolarHBondContact O-CB 3.37Å; S109-C113 PolarHBondContact O-N 3.44Å
110K98.5Very high98.4Very high47 Ų4750.8 Ų50.820%0.20429%0.294CS..Hα-helixtrans-62.7-43.7176.9-65.2-176.8-175.3-166.90112.5Q106 F107 C113 A114 D251 W252 D256Q106-K110 PolarHBondContact O-N 3.39Å; F107-K110 PolarHBondContact O-N 3.33Å; K110-C113 PolarHBondContact O-N 2.85Å; K110-A114 PolarHBondContact O-N 3.09Å; K110-D251 WeakPolarHBondContact CE-O 3.11Å; K110-D251 PolarHBondContact NZ-O 2.86Å; K110-D251 VanDerWaalsContact NZ-O 3.17Å; K110-W252 PolarHBondContact O-NE1 3.24Å; K110-D256 WeakPolarHBondContact CD-OD2 3.03Å; K110-D256 IonicContact NZ-OD2 2.65Å; K110-D256 PolarHBondContact NZ-OD2 3.44Å
111L98.8Very high98.4Very high0 Ų051.1 Ų51.10%030%0.297CS..Hα-helixtrans-63.9-48.8179175.557.6000111.1M93 Y96 L97 F107 F108 S109 C113 A114 V115 W252 F260M93-L111 HydrophobicContact CE-CD1 3.89Å; Y96-L111 HydrophobicContact CD1-CD2 3.99Å; Y96-L111 HydrophobicContact CE1-CD2 3.69Å; L97-L111 HydrophobicContact CD2-CD2 3.68Å; L97-L111 HydrophobicContact CD2-CG 3.71Å; L97-L111 HydrophobicContact CG-CD2 4.45Å; F107-L111 HydrophobicContact CE1-CD2 4.34Å; F107-L111 WeakPolarHBondContact O-CB 3.18Å; F107-L111 PolarHBondContact O-N 2.86Å; F108-L111 PolarHBondContact O-N 3.46Å; S109-L111 PolarHBondContact O-N 3.09Å; L111-C113 VanDerWaalsContact C-N 3.35Å; L111-C113 PolarHBondContact O-N 3.5Å; L111-A114 PolarHBondContact O-N 3.36Å; L111-V115 HydrophobicContact CD1-CG2 4.07Å; L111-V115 WeakPolarHBondContact O-CG2 3.21Å; L111-V115 PolarHBondContact O-N 3.12Å; L111-W252 HydrophobicContact CB-CZ2 4.37Å; L111-W252 HydrophobicContact CD1-CH2 3.86Å; L111-W252 HydrophobicContact CD1-CZ2 3.81Å; L111-F260 HydrophobicContact CD1-CD2 3.9Å; L111-F260 HydrophobicContact CD1-CE2 3.67Å
112S98.5Very high98.4Very high29 Ų2949.2 Ų49.220%0.20328%0.28CS..Hα-helixtrans-60.8-43.5177.7-61.70000111.5F108 S109 A114 V115 S116F108-S112 WeakPolarHBondContact CE2-OG 3.27Å; F108-S112 VanDerWaalsContact CZ-OG 3.23Å; F108-S112 WeakPolarHBondContact CZ-OG 3.44Å; F108-S112 VanDerWaalsContact O-CB 3.23Å; F108-S112 WeakPolarHBondContact O-CB 3.35Å; F108-S112 PolarHBondContact O-N 2.79Å; F108-S112 PolarHBondContact O-OG 3.21Å; S109-S112 PolarHBondContact O-N 3.06Å; S112-A114 PolarHBondContact O-N 3.01Å; S112-V115 PolarHBondContact O-N 3.34Å; S112-S116 WeakPolarHBondContact O-CB 3.24Å; S112-S116 PolarHBondContact O-N 3.26Å; S112-S116 PolarHBondContact O-OG 3.13Å; S112-S116 VanDerWaalsContact O-OG 3.07Å
113C98.5Very high98.4Very high62 Ų6247 Ų4742%0.41927%0.27SS..Hα-helixtrans-59.5-44.8174.6-89.50000112.7S109 K110 L111 F117S109-C113 VanDerWaalsContact O-CB 3.32Å; S109-C113 WeakPolarHBondContact O-CB 3.37Å; S109-C113 PolarHBondContact O-N 3.44Å; K110-C113 PolarHBondContact O-N 2.85Å; L111-C113 VanDerWaalsContact C-N 3.35Å; L111-C113 PolarHBondContact O-N 3.5Å; C113-F117 WeakPolarHBondContact O-CB 3.26Å; C113-F117 PolarHBondContact O-N 3.19Å
114A98.8Very high98.4Very high0 Ų050.5 Ų50.50%028%0.279CS..Hα-helixtrans-65.7-42.7178.400000111.9K110 L111 S112 F117 V118 I146 P248 L249 W252K110-A114 PolarHBondContact O-N 3.09Å; L111-A114 PolarHBondContact O-N 3.36Å; S112-A114 PolarHBondContact O-N 3.01Å; A114-F117 PolarHBondContact O-N 2.72Å; A114-V118 WeakPolarHBondContact O-CG2 3.44Å; A114-V118 PolarHBondContact O-N 3.05Å; A114-V118 VanDerWaalsContact O-N 3.08Å; A114-I146 HydrophobicContact CB-CD1 4.42Å; A114-P248 HydrophobicContact CB-CB 4.43Å; A114-P248 WeakPolarHBondContact CB-O 3.36Å; A114-L249 HydrophobicContact CB-CD2 4.29Å; A114-W252 HydrophobicContact CB-CZ2 3.98Å
115V98.8Very high98.4Very high8 Ų849.7 Ų49.75%0.04827%0.272CS..Hα-helixtrans-62.8-51.4177.1169.80000111.1M93 L111 S112 F117 V118 L119 I146 Y149M93-V115 HydrophobicContact CE-CG2 3.44Å; M93-V115 VanDerWaalsContact CE-CG2 3.44Å; L111-V115 HydrophobicContact CD1-CG2 4.07Å; L111-V115 WeakPolarHBondContact O-CG2 3.21Å; L111-V115 PolarHBondContact O-N 3.12Å; S112-V115 PolarHBondContact O-N 3.34Å; V115-F117 VanDerWaalsContact C-N 3.32Å; V115-F117 PolarHBondContact O-N 3.39Å; V115-V118 PolarHBondContact O-N 3.4Å; V115-L119 HydrophobicContact CG1-CD1 3.79Å; V115-L119 HydrophobicContact CG1-CG 4.37Å; V115-L119 WeakPolarHBondContact O-CG 3.17Å; V115-L119 PolarHBondContact O-N 2.85Å; V115-I146 HydrophobicContact CG2-CG2 4.21Å; V115-Y149 HydrophobicContact CG1-CD1 4.16Å; V115-Y149 HydrophobicContact CG1-CE1 3.55Å
116S98.6Very high98.4Very high61 Ų6154.2 Ų54.243%0.42727%0.273SS..Hα-helixtrans-59.2-43.3177.9-64.10000111.4S112 V118 L119 D120S112-S116 WeakPolarHBondContact O-CB 3.24Å; S112-S116 PolarHBondContact O-N 3.26Å; S112-S116 PolarHBondContact O-OG 3.13Å; S112-S116 VanDerWaalsContact O-OG 3.07Å; S116-V118 VanDerWaalsContact C-N 3.33Å; S116-V118 PolarHBondContact O-N 3.02Å; S116-L119 PolarHBondContact O-N 3.26Å; S116-D120 WeakPolarHBondContact O-CB 3.32Å; S116-D120 PolarHBondContact O-N 3.38Å
117F98.8Very high98.2Very high28 Ų2849.1 Ų49.112%0.12325%0.25CC..Hα-helixtrans-58.2-43.9176.6-178.3-81.6000112.5C113 A114 V115 C121 F217 K232 I233 L246 P248C113-F117 WeakPolarHBondContact O-CB 3.26Å; C113-F117 PolarHBondContact O-N 3.19Å; A114-F117 PolarHBondContact O-N 2.72Å; V115-F117 VanDerWaalsContact C-N 3.32Å; V115-F117 PolarHBondContact O-N 3.39Å; F117-C121 VanDerWaalsContact CE1-SG 3.54Å; F117-C121 WeakPolarHBondContact O-CB 3.41Å; F117-C121 PolarHBondContact O-N 3Å; F117-C121 PolarHBondContact O-SG 3.32Å; F117-F217 HydrophobicContact CD1-CE1 4.5Å; F117-F217 HydrophobicContact CE1-CE1 4.23Å; F117-K232 HydrophobicContact CD2-CB 4.38Å; F117-K232 HydrophobicContact CD2-CD 4.09Å; F117-K232 HydrophobicContact CE2-CB 3.64Å; F117-K232 HydrophobicContact CE2-CD 4.19Å; F117-K232 HydrophobicContact CZ-CB 4.02Å; F117-I233 HydrophobicContact CE2-CD1 4.01Å; F117-I233 HydrophobicContact CE2-CG1 3.79Å; F117-I233 HydrophobicContact CZ-CD1 4.17Å; F117-I233 HydrophobicContact CZ-CG1 3.67Å; F117-L246 HydrophobicContact CE1-CB 4.12Å; F117-L246 HydrophobicContact CZ-CB 4.45Å; F117-L246 HydrophobicContact CZ-CD2 4.26Å; F117-P248 HydrophobicContact CD1-CB 3.68Å; F117-P248 HydrophobicContact CD1-CG 4.48Å; F117-P248 HydrophobicContact CE1-CB 4.23Å; F117-P248 HydrophobicContact CG-CB 4.37Å
118V98.8Very high98.1Very high0 Ų050.6 Ų50.60%026%0.262CS..Hα-helixtrans-66.6-43.8178171.10000111A114 V115 S116 C121 L122 L143 I146 L147 A150 F217 P248A114-V118 WeakPolarHBondContact O-CG2 3.44Å; A114-V118 PolarHBondContact O-N 3.05Å; A114-V118 VanDerWaalsContact O-N 3.08Å; V115-V118 PolarHBondContact O-N 3.4Å; S116-V118 VanDerWaalsContact C-N 3.33Å; S116-V118 PolarHBondContact O-N 3.02Å; V118-C121 PolarHBondContact O-N 3.41Å; V118-L122 HydrophobicContact CG1-CD1 3.93Å; V118-L122 WeakPolarHBondContact O-CB 3.2Å; V118-L122 WeakPolarHBondContact O-CG 3.39Å; V118-L122 PolarHBondContact O-N 2.74Å; V118-L143 HydrophobicContact CG2-CD1 4.23Å; V118-I146 HydrophobicContact CB-CG2 4.07Å; V118-I146 HydrophobicContact CG1-CG2 4.3Å; V118-I146 HydrophobicContact CG2-CG2 3.87Å; V118-L147 HydrophobicContact CG1-CD2 3.62Å; V118-L147 HydrophobicContact CG1-CG 4.19Å; V118-A150 HydrophobicContact CG1-CB 3.67Å; V118-F217 HydrophobicContact CG1-CZ 4.47Å; V118-F217 HydrophobicContact CG2-CE1 4.04Å; V118-F217 HydrophobicContact CG2-CZ 4.49Å; V118-P248 HydrophobicContact CG2-CB 3.82Å; V118-P248 HydrophobicContact CG2-CG 3.93Å
119L98.6Very high98.1Very high31 Ų3148.7 Ų48.716%0.16225%0.254CS..Hα-helixtrans-60.3-44.3176.4-69.7168.2000111.7V115 S116 L122 S123 Y149 A150 K153 L154V115-L119 HydrophobicContact CG1-CD1 3.79Å; V115-L119 HydrophobicContact CG1-CG 4.37Å; V115-L119 WeakPolarHBondContact O-CG 3.17Å; V115-L119 PolarHBondContact O-N 2.85Å; S116-L119 PolarHBondContact O-N 3.26Å; L119-L122 PolarHBondContact O-N 3.39Å; L119-S123 WeakPolarHBondContact O-CB 3.39Å; L119-S123 PolarHBondContact O-N 3.13Å; L119-S123 PolarHBondContact O-OG 3.35Å; L119-Y149 HydrophobicContact CD1-CE1 4.49Å; L119-A150 HydrophobicContact CD2-CB 3.72Å; L119-A150 HydrophobicContact CG-CB 4.32Å; L119-K153 HydrophobicContact CD2-CB 4.37Å; L119-K153 HydrophobicContact CD2-CG 4.32Å; L119-L154 HydrophobicContact CB-CD1 4.43Å; L119-L154 HydrophobicContact CD2-CD1 3.75Å; L119-L154 HydrophobicContact CD2-CD2 3.98Å; L119-L154 HydrophobicContact CD2-CG 3.63Å
120D98.6Very high98.1Very high106 Ų10645.4 Ų45.457%0.56723%0.231SC*.Hα-helixtrans-63.2-45.2178.2-72.4-17.3000111.3S116 L122 S123 R124S116-D120 WeakPolarHBondContact O-CB 3.32Å; S116-D120 PolarHBondContact O-N 3.38Å; D120-L122 PolarHBondContact O-N 3.15Å; D120-S123 PolarHBondContact O-N 2.67Å; D120-R124 VanDerWaalsContact O-CB 3.23Å; D120-R124 WeakPolarHBondContact O-CB 3.23Å; D120-R124 PolarHBondContact O-N 2.99Å
121C98.6Very high98.1Very high7 Ų743.1 Ų43.15%0.04722%0.222CC..Hα-helixtrans-62.3-43.6177.2-73.10000112F117 V118 S123 R124 Y125 F217 L246F117-C121 VanDerWaalsContact CE1-SG 3.54Å; F117-C121 WeakPolarHBondContact O-CB 3.41Å; F117-C121 PolarHBondContact O-N 3Å; F117-C121 PolarHBondContact O-SG 3.32Å; V118-C121 PolarHBondContact O-N 3.41Å; C121-S123 VanDerWaalsContact C-N 3.31Å; C121-S123 PolarHBondContact O-N 2.72Å; C121-R124 PolarHBondContact O-N 3.38Å; C121-Y125 HydrophobicContact CB-CD2 4.15Å; C121-Y125 HydrophobicContact CB-CE2 4.32Å; C121-Y125 WeakPolarHBondContact O-CB 3.44Å; C121-Y125 VanDerWaalsContact O-CD2 3.27Å; C121-Y125 WeakPolarHBondContact O-CD2 3.37Å; C121-Y125 PolarHBondContact O-N 2.85Å; C121-F217 HydrophobicContact CB-CE1 4.34Å; C121-F217 HydrophobicContact CB-CZ 3.63Å; C121-L246 HydrophobicContact CB-CD1 4.15Å
122L98Very high98.1Very high4 Ų443.1 Ų43.12%0.02122%0.222CC..Hα-helixtrans-69.2-28.9177.9-74.7171.8000112.9V118 L119 D120 I130 L147 A150 L151 L154 F155V118-L122 HydrophobicContact CG1-CD1 3.93Å; V118-L122 WeakPolarHBondContact O-CB 3.2Å; V118-L122 WeakPolarHBondContact O-CG 3.39Å; V118-L122 PolarHBondContact O-N 2.74Å; L119-L122 PolarHBondContact O-N 3.39Å; D120-L122 PolarHBondContact O-N 3.15Å; L122-I130 HydrophobicContact CD2-CD1 3.71Å; L122-L147 HydrophobicContact CD1-CD2 4.28Å; L122-A150 HydrophobicContact CD1-CB 3.53Å; L122-L151 HydrophobicContact CD1-CD2 4.36Å; L122-L151 HydrophobicContact CD1-CG 4.46Å; L122-L151 HydrophobicContact CD2-CD2 4.21Å; L122-L154 HydrophobicContact CB-CD1 3.72Å; L122-L154 HydrophobicContact CD1-CD1 4.45Å; L122-F155 HydrophobicContact CB-CE2 4.15Å; L122-F155 HydrophobicContact CB-CZ 4.43Å
123S97.9Very high98Very high82 Ų8243.2 Ų43.257%0.57322%0.222SC*.Hα-helixtrans-78-32.8175.4-57.10000112.1L119 D120 C121L119-S123 WeakPolarHBondContact O-CB 3.39Å; L119-S123 PolarHBondContact O-N 3.13Å; L119-S123 PolarHBondContact O-OG 3.35Å; D120-S123 PolarHBondContact O-N 2.67Å; C121-S123 VanDerWaalsContact C-N 3.31Å; C121-S123 PolarHBondContact O-N 2.72Å
124R97.8Very high98Very high188 Ų18840.3 Ų40.371%0.70920%0.202SC*.Hα-helixtrans-85.4-39.4-177.8-179.1176.6-82.3167.6-4.2113.4D120 C121D120-R124 VanDerWaalsContact O-CB 3.23Å; D120-R124 WeakPolarHBondContact O-CB 3.23Å; D120-R124 PolarHBondContact O-N 2.99Å; C121-R124 PolarHBondContact O-N 3.38Å
125Y97.9Very high97.8Very high34 Ų3444.4 Ų44.413%0.13322%0.224CC..SBendtrans-109.1142.1-174.5-49.9-54.4000110.8C121 I127 Y215 L246C121-Y125 HydrophobicContact CB-CD2 4.15Å; C121-Y125 HydrophobicContact CB-CE2 4.32Å; C121-Y125 WeakPolarHBondContact O-CB 3.44Å; C121-Y125 VanDerWaalsContact O-CD2 3.27Å; C121-Y125 WeakPolarHBondContact O-CD2 3.37Å; C121-Y125 PolarHBondContact O-N 2.85Å; Y125-I127 PolarHBondContact O-N 3.14Å; Y125-Y215 HydrophobicContact CD1-CD1 4.38Å; Y125-Y215 HydrophobicContact CD1-CD2 4.01Å; Y125-Y215 AromaticContact CD1-CE1 3.83Å; Y125-Y215 HydrophobicContact CD1-CE1 3.83Å; Y125-Y215 AromaticContact CD1-CE2 3.37Å; Y125-Y215 HydrophobicContact CD1-CE2 3.37Å; Y125-Y215 HydrophobicContact CD1-CG 4.48Å; Y125-Y215 AromaticContact CD1-CZ 3.28Å; Y125-Y215 WeakPolarHBondContact CD1-OH 3.38Å; Y125-Y215 AromaticContact CD2-CD1 4Å; Y125-Y215 HydrophobicContact CD2-CD1 4Å; Y125-Y215 HydrophobicContact CD2-CD2 4.13Å; Y125-Y215 HydrophobicContact CD2-CE1 4.19Å; Y125-Y215 HydrophobicContact CD2-CE2 4.3Å; Y125-Y215 AromaticContact CD2-CG 3.99Å; Y125-Y215 HydrophobicContact CD2-CG 3.99Å; Y125-Y215 HydrophobicContact CE1-CD1 4.24Å; Y125-Y215 AromaticContact CE1-CE1 3.47Å; Y125-Y215 HydrophobicContact CE1-CE1 3.47Å; Y125-Y215 VanDerWaalsContact CE1-CE1 3.47Å; Y125-Y215 AromaticContact CE1-CE2 3.9Å; Y125-Y215 HydrophobicContact CE1-CE2 3.9Å; Y125-Y215 AromaticContact CE1-CZ 3.26Å; Y125-Y215 VanDerWaalsContact CE1-OH 3.27Å; Y125-Y215 WeakPolarHBondContact CE1-OH 3.46Å; Y125-Y215 AromaticContact CE2-CD1 3.84Å; Y125-Y215 HydrophobicContact CE2-CD1 3.84Å; Y125-Y215 AromaticContact CE2-CE1 3.87Å; Y125-Y215 HydrophobicContact CE2-CE1 3.87Å; Y125-Y215 HydrophobicContact CE2-CG 4.32Å; Y125-Y215 HydrophobicContact CG-CD1 4.27Å; Y125-Y215 AromaticContact CG-CD2 3.73Å; Y125-Y215 HydrophobicContact CG-CD2 3.73Å; Y125-Y215 HydrophobicContact CG-CE1 4.17Å; Y125-Y215 AromaticContact CG-CE2 3.61Å; Y125-Y215 HydrophobicContact CG-CE2 3.61Å; Y125-Y215 HydrophobicContact CG-CG 4.08Å; Y125-Y215 AromaticContact CG-CZ 3.85Å; Y125-Y215 AromaticContact CZ-CD1 3.97Å; Y125-Y215 AromaticContact CZ-CE1 3.48Å; Y125-Y215 VanDerWaalsContact CZ-CE1 3.48Å; Y125-Y215 AromaticContact CZ-CZ 3.82Å; Y125-L246 HydrophobicContact CD2-CD1 4.46Å; Y125-L246 HydrophobicContact CE2-CD1 4.45Å; Y125-L246 HydrophobicContact CE2-CD2 4.44Å
126R96.6Very high97.6Very high170 Ų17044 Ų4464%0.64222%0.222SC*.  trans-67136.7178.3-63.7175.1177.8173.8-3.2109.1A128 E129 I130R126-A128 PolarHBondContact O-N 3.49Å; R126-E129 HydrophobicContact CB-CG 4.21Å; R126-E129 WeakPolarHBondContact O-CA 3.21Å; R126-E129 WeakPolarHBondContact O-CB 3.49Å; R126-E129 PolarHBondContact O-N 2.87Å; R126-I130 PolarHBondContact O-N 3.09Å
127I95.5Very high97.5Very high35 Ų3541.5 Ų41.518%0.17921%0.205CC..G310 helixtrans-51.9-35.3175.7-62.4174.1000111.7Y125 E129 I130 L151 F155 L157 N162 R213Y125-I127 PolarHBondContact O-N 3.14Å; I127-E129 PolarHBondContact O-N 3.34Å; I127-I130 PolarHBondContact O-N 3.04Å; I127-I130 VanDerWaalsContact O-N 3.16Å; I127-L151 HydrophobicContact CD1-CD2 4.13Å; I127-F155 HydrophobicContact CD1-CD2 3.82Å; I127-F155 HydrophobicContact CD1-CE2 3.72Å; I127-F155 HydrophobicContact CD1-CG 4.31Å; I127-F155 HydrophobicContact CD1-CZ 4.13Å; I127-F155 HydrophobicContact CG1-CE2 4.23Å; I127-F155 HydrophobicContact CG1-CZ 4.46Å; I127-L157 HydrophobicContact CD1-CD1 4.33Å; I127-N162 HydrophobicContact CG2-CB 4.3Å; I127-N162 WeakPolarHBondContact CG2-O 3.36Å; I127-R213 PolarHBondContact O-NH1 3.37Å
128A95.6Very high97.4Very high32 Ų3240.2 Ų40.226%0.26420%0.2SC..G310 helixtrans-65.7-14.4176.500000115R126 R213R126-A128 PolarHBondContact O-N 3.49Å; A128-R213 VanDerWaalsContact O-CZ 3.29Å; A128-R213 PolarHBondContact O-NH1 3.32Å
129E98Very high97.4Very high29 Ų2941.1 Ų41.114%0.13621%0.205CC..G310 helixtrans-102.6-7.7176.7-60.6180130.900112.6R126 I127 R212 R213 K214 Y215R126-E129 HydrophobicContact CB-CG 4.21Å; R126-E129 WeakPolarHBondContact O-CA 3.21Å; R126-E129 WeakPolarHBondContact O-CB 3.49Å; R126-E129 PolarHBondContact O-N 2.87Å; I127-E129 PolarHBondContact O-N 3.34Å; E129-R212 WeakPolarHBondContact CA-O 3.45Å; E129-R212 HydrophobicContact CG-CG 4.33Å; E129-R213 WeakPolarHBondContact O-CA 3.48Å; E129-K214 HydrophobicContact CG-CD 4.48Å; E129-K214 PolarHBondContact O-N 2.98Å; E129-K214 WeakPolarHBondContact OE1-CE 3.27Å; E129-K214 IonicContact OE1-NZ 2.73Å; E129-K214 PolarHBondContact OE1-NZ 2.8Å; E129-Y215 HydrophobicContact CB-CD2 4.23Å; E129-Y215 PolarHBondContact O-N 3.04Å
130I98.3Very high97.3Very high0 Ų039.9 Ų39.90%020%0.198CC..EExtended strand (participates in β ladder)trans-96141.7-179-64169.7000109.9L122 R126 I127 L163 R213 Y215 F217L122-I130 HydrophobicContact CD2-CD1 3.71Å; R126-I130 PolarHBondContact O-N 3.09Å; I127-I130 PolarHBondContact O-N 3.04Å; I127-I130 VanDerWaalsContact O-N 3.16Å; I130-L163 HydrophobicContact CG2-CD1 4.09Å; I130-R213 WeakPolarHBondContact O-CD 3.25Å; I130-R213 PolarHBondContact O-NH1 3.09Å; I130-Y215 CarbonylContact C-O 3.51Å; I130-Y215 WeakPolarHBondContact CA-O 3.35Å; I130-F217 HydrophobicContact CD1-CE2 4.49Å; I130-F217 HydrophobicContact CG2-CD2 3.6Å; I130-F217 HydrophobicContact CG2-CE2 3.73Å
131A98.3Very high97.3Very high0 Ų034.9 Ų34.90%017%0.171CC..EExtended strand (participates in β ladder)trans-130.7160.3164.700000111.2C164 F166 F206 R213 Y215 V216 F217A131-C164 CarbonylContact C-O 3.54Å; A131-C164 WeakPolarHBondContact CA-O 3.41Å; A131-F166 HydrophobicContact CB-CD1 4.2Å; A131-F166 HydrophobicContact CB-CE1 4.18Å; A131-F206 HydrophobicContact CB-CE1 4.32Å; A131-F206 HydrophobicContact CB-CZ 3.89Å; A131-R213 HydrophobicContact CB-CB 4.48Å; A131-R213 HydrophobicContact CB-CG 4.46Å; A131-Y215 PolarHBondContact N-O 2.87Å; A131-V216 HydrophobicContact CB-CG2 4.46Å; A131-V216 CarbonylContact O-C 3.48Å; A131-V216 WeakPolarHBondContact O-CA 3.32Å; A131-F217 PolarHBondContact O-N 2.6Å
132L98.6Very high97.3Very high0 Ų034.5 Ų34.50%017%0.169CC..EExtended strand (participates in β ladder)trans-116.5128.8172.2170.765.2000109.6F134 L143 L144 L147 L163 C164 A165 F166 F217L132-F134 HydrophobicContact CD2-CB 4.28Å; L132-F134 HydrophobicContact CG-CB 4.26Å; L132-L143 HydrophobicContact CD1-CD2 4.05Å; L132-L143 HydrophobicContact CD1-CG 4.13Å; L132-L144 HydrophobicContact CD2-CB 4.21Å; L132-L144 HydrophobicContact CD2-CD1 3.77Å; L132-L147 HydrophobicContact CD1-CD1 3.88Å; L132-L147 HydrophobicContact CD2-CD1 4.08Å; L132-L147 HydrophobicContact CG-CD1 4.38Å; L132-L163 HydrophobicContact CB-CD2 4.28Å; L132-L163 HydrophobicContact CB-CG 4.5Å; L132-L163 HydrophobicContact CD2-CD2 4.12Å; L132-C164 PolarHBondContact N-O 3.1Å; L132-A165 HydrophobicContact CB-CB 4.15Å; L132-A165 HydrophobicContact CD2-CB 4.41Å; L132-A165 HydrophobicContact CG-CB 4.47Å; L132-A165 CarbonylContact O-C 3.56Å; L132-A165 VanDerWaalsContact O-CA 3.23Å; L132-A165 WeakPolarHBondContact O-CA 3.18Å; L132-F166 PolarHBondContact O-N 2.69Å; L132-F217 HydrophobicContact CD1-CB 3.91Å
133S98.1Very high97.3Very high30 Ų3034.3 Ų34.321%0.2117%0.168CC..EExtended strand (participates in β ladder)trans-82.3112.2164.4-174.30000109F217S133-F217 PolarHBondContact N-O 3.41Å
134F97.6Very high97.4Very high1 Ų130.4 Ų30.40%0.00414%0.141CC..  trans-121.6115.2-178.3-174.5-104.6000110.1L132 C140 L144 A165 F166 Y167 F180 V181 L190 L192L132-F134 HydrophobicContact CD2-CB 4.28Å; L132-F134 HydrophobicContact CG-CB 4.26Å; F134-C140 HydrophobicContact CD2-CB 4.06Å; F134-C140 VanDerWaalsContact CD2-SG 3.55Å; F134-L144 HydrophobicContact CD2-CB 4.35Å; F134-L144 HydrophobicContact CD2-CD2 4.05Å; F134-L144 HydrophobicContact CE2-CB 4.25Å; F134-L144 HydrophobicContact CE2-CD2 3.65Å; F134-L144 HydrophobicContact CZ-CD2 4Å; F134-A165 HydrophobicContact CB-CB 4.43Å; F134-F166 PolarHBondContact N-O 2.91Å; F134-Y167 WeakPolarHBondContact O-CA 3.41Å; F134-Y167 WeakPolarHBondContact O-CB 3.23Å; F134-Y167 WeakPolarHBondContact O-CD2 3.34Å; F134-F180 HydrophobicContact CZ-CE1 4.46Å; F134-V181 HydrophobicContact CD1-CG1 4.47Å; F134-V181 HydrophobicContact CE1-CG1 4.39Å; F134-V181 HydrophobicContact CE1-CG2 4.31Å; F134-L190 HydrophobicContact CD1-CD2 4.45Å; F134-L190 HydrophobicContact CG-CD2 4.49Å; F134-L192 HydrophobicContact CB-CD1 4.3Å; F134-L192 HydrophobicContact CD1-CD1 4.33Å
135N94.4Very high97.4Very high87 Ų8721.6 Ų21.647%0.46511%0.108SC..  trans-117.79-17568.56.3000114.2G137 C140 Y167N135-G137 PolarHBondContact O-N 3.46Å; N135-G137 PolarHBondContact OD1-N 3.37Å; N135-C140 PolarHBondContact N-SG 3.01Å; N135-C140 PolarHBondContact OD1-SG 2.82Å; N135-Y167 HydrophobicContact CB-CD2 4.37Å; N135-Y167 HydrophobicContact CB-CE2 4.41Å
136G94.8Very high97.5Very high0 Ų020 Ų200%010%0.101CC..SBendtrans75.61.9-177.500000115F180G136-F180 VanDerWaalsContact O-CD1 3.24Å; G136-F180 WeakPolarHBondContact O-CD1 3.4Å; G136-F180 WeakPolarHBondContact O-CE1 3.42Å
137G95.8Very high97.5Very high7 Ų711.9 Ų11.97%0.0727%0.071CC..  trans-70.3160.4172.400000112.8N135 D139 C140 T141N135-G137 PolarHBondContact O-N 3.46Å; N135-G137 PolarHBondContact OD1-N 3.37Å; G137-D139 VanDerWaalsContact C-N 3.29Å; G137-D139 PolarHBondContact O-N 2.74Å; G137-C140 PolarHBondContact N-SG 3.27Å; G137-C140 VanDerWaalsContact N-SG 3.44Å; G137-C140 PolarHBondContact O-SG 3.13Å; G137-T141 WeakPolarHBondContact O-CB 3.4Å; G137-T141 PolarHBondContact O-N 2.86Å; G137-T141 VanDerWaalsContact O-N 3.12Å; G137-T141 PolarHBondContact O-OG1 3.24Å
138K97.6Very high97.7Very high1 Ų110.5 Ų10.50%0.0046%0.063CC..Hα-helixtrans-56.6-41.3176.864.2-179.2-165.3-54.40112.6T141 V142 Y254 I257 W258 L261 Y272 E314K138-T141 WeakPolarHBondContact O-CB 3.4Å; K138-T141 PolarHBondContact O-N 2.95Å; K138-V142 PolarHBondContact O-N 2.59Å; K138-Y254 HydrophobicContact CD-CE2 4.43Å; K138-I257 HydrophobicContact CB-CG2 3.99Å; K138-I257 HydrophobicContact CD-CG2 3.86Å; K138-I257 HydrophobicContact CG-CG2 3.77Å; K138-W258 HydrophobicContact CB-CH2 4.42Å; K138-W258 HydrophobicContact CD-CH2 4.24Å; K138-W258 HydrophobicContact CD-CZ2 3.51Å; K138-L261 HydrophobicContact CB-CD1 3.78Å; K138-Y272 HydrophobicContact CB-CE1 4.46Å; K138-Y272 HydrophobicContact CB-CE2 3.97Å; K138-Y272 HydrophobicContact CD-CE1 4.02Å; K138-Y272 HydrophobicContact CG-CE1 4.29Å; K138-Y272 PolarHBondContact N-OH 3.18Å; K138-E314 IonicContact NZ-OE1 2.66Å; K138-E314 PolarHBondContact NZ-OE1 3.11Å
139D98Very high97.8Very high20 Ų209.5 Ų9.511%0.1075%0.053CC..Hα-helixtrans-67.6-47.5-174.9-53.1-103.4000112.3G137 T141 V142 L143 G219 R221 L249G137-D139 VanDerWaalsContact C-N 3.29Å; G137-D139 PolarHBondContact O-N 2.74Å; D139-T141 PolarHBondContact O-N 2.87Å; D139-V142 PolarHBondContact O-N 3.09Å; D139-L143 PolarHBondContact O-N 3.32Å; D139-L143 VanDerWaalsContact O-N 3.13Å; D139-G219 WeakPolarHBondContact CB-O 3.44Å; D139-R221 IonicContact OD1-CZ 3.79Å; D139-R221 IonicContact OD1-NE 3.64Å; D139-R221 PolarHBondContact OD1-NE 2.87Å; D139-R221 IonicContact OD1-NH2 3.86Å; D139-R221 PolarHBondContact OD1-NH2 3.38Å; D139-L249 VanDerWaalsContact O-CD1 3.23Å; D139-L249 WeakPolarHBondContact O-CD1 3.46Å
140C97.4Very high97.8Very high4 Ų48.1 Ų8.13%0.0275%0.046CC..Hα-helixtrans-70.9-22.6175.969.20000112.6F134 N135 G137 L143 L144F134-C140 HydrophobicContact CD2-CB 4.06Å; F134-C140 VanDerWaalsContact CD2-SG 3.55Å; N135-C140 PolarHBondContact N-SG 3.01Å; N135-C140 PolarHBondContact OD1-SG 2.82Å; G137-C140 PolarHBondContact N-SG 3.27Å; G137-C140 VanDerWaalsContact N-SG 3.44Å; G137-C140 PolarHBondContact O-SG 3.13Å; C140-L143 PolarHBondContact O-N 3.46Å; C140-L144 WeakPolarHBondContact O-CB 2.93Å; C140-L144 PolarHBondContact O-N 2.97Å
141T98.4Very high97.8Very high1 Ų18.1 Ų8.11%0.0065%0.047CC..Hα-helixtrans-70.6-43.7174-58.60000111.4G137 K138 D139 L143 L144 H145 F180 L261 I266G137-T141 WeakPolarHBondContact O-CB 3.4Å; G137-T141 PolarHBondContact O-N 2.86Å; G137-T141 VanDerWaalsContact O-N 3.12Å; G137-T141 PolarHBondContact O-OG1 3.24Å; K138-T141 WeakPolarHBondContact O-CB 3.4Å; K138-T141 PolarHBondContact O-N 2.95Å; D139-T141 PolarHBondContact O-N 2.87Å; T141-L143 VanDerWaalsContact C-N 3.32Å; T141-L143 PolarHBondContact O-N 3Å; T141-L144 PolarHBondContact O-N 3.36Å; T141-H145 PolarHBondContact O-N 2.84Å; T141-F180 HydrophobicContact CG2-CZ 4.09Å; T141-L261 HydrophobicContact CG2-CD2 4.08Å; T141-I266 HydrophobicContact CG2-CG2 3.86Å
142V98.8Very high97.7Very high0 Ų09 Ų90%05%0.05CC..Hα-helixtrans-55.7-49.6169.61700000110.3K138 D139 L144 H145 I146 L249 W252 I257 F260 L261K138-V142 PolarHBondContact O-N 2.59Å; D139-V142 PolarHBondContact O-N 3.09Å; V142-L144 PolarHBondContact O-N 2.71Å; V142-H145 PolarHBondContact O-N 2.86Å; V142-H145 VanDerWaalsContact O-N 3.14Å; V142-I146 HydrophobicContact CG1-CD1 3.98Å; V142-I146 WeakPolarHBondContact O-CG1 3.43Å; V142-I146 PolarHBondContact O-N 3.49Å; V142-L249 HydrophobicContact CB-CD1 4.1Å; V142-L249 HydrophobicContact CG1-CD1 3.93Å; V142-L249 HydrophobicContact CG1-CD2 4Å; V142-W252 HydrophobicContact CG1-CE3 4.43Å; V142-W252 HydrophobicContact CG1-CH2 3.91Å; V142-W252 HydrophobicContact CG1-CZ3 3.7Å; V142-I257 HydrophobicContact CB-CD1 4.45Å; V142-I257 HydrophobicContact CG2-CD1 4.22Å; V142-I257 HydrophobicContact CG2-CG2 3.94Å; V142-F260 HydrophobicContact CB-CD1 4.2Å; V142-F260 HydrophobicContact CG1-CD1 3.71Å; V142-F260 HydrophobicContact CG1-CE1 4Å; V142-F260 HydrophobicContact CG1-CG 4.14Å; V142-F260 HydrophobicContact CG2-CB 4.5Å; V142-F260 HydrophobicContact CG2-CD1 3.87Å; V142-L261 HydrophobicContact CG2-CD1 4.19Å; V142-L261 HydrophobicContact CG2-CD2 3.68Å; V142-L261 HydrophobicContact CG2-CG 3.64Å
143L98.8Very high97.7Very high0 Ų013.8 Ų13.80%07%0.071CC..Hα-helixtrans-61.4-43.6179.9179.748.3000112.6V118 L132 D139 C140 T141 H145 I146 L147 F217 L218 P248 L249V118-L143 HydrophobicContact CG2-CD1 4.23Å; L132-L143 HydrophobicContact CD1-CD2 4.05Å; L132-L143 HydrophobicContact CD1-CG 4.13Å; D139-L143 PolarHBondContact O-N 3.32Å; D139-L143 VanDerWaalsContact O-N 3.13Å; C140-L143 PolarHBondContact O-N 3.46Å; T141-L143 VanDerWaalsContact C-N 3.32Å; T141-L143 PolarHBondContact O-N 3Å; L143-H145 PolarHBondContact O-N 3.04Å; L143-I146 PolarHBondContact O-N 3.46Å; L143-L147 HydrophobicContact CD1-CD1 4.03Å; L143-L147 HydrophobicContact CD1-CG 4.15Å; L143-L147 HydrophobicContact CG-CD1 4Å; L143-L147 WeakPolarHBondContact O-CB 3.41Å; L143-L147 WeakPolarHBondContact O-CG 3.37Å; L143-L147 PolarHBondContact O-N 2.92Å; L143-F217 HydrophobicContact CD1-CD1 4.37Å; L143-F217 HydrophobicContact CD2-CB 4.03Å; L143-L218 WeakPolarHBondContact CD2-O 3.18Å; L143-P248 HydrophobicContact CD1-CG 3.35Å; L143-P248 HydrophobicContact CD2-CG 4.14Å; L143-P248 HydrophobicContact CG-CG 4.37Å; L143-L249 HydrophobicContact CB-CD1 4.05Å
144L98.6Very high97.6Very high0 Ų015.4 Ų15.40%08%0.077CC..Hα-helixtrans-57.8-40175.4176.159000111.4L132 F134 C140 T141 V142 L147 R148 Y188 L190L132-L144 HydrophobicContact CD2-CB 4.21Å; L132-L144 HydrophobicContact CD2-CD1 3.77Å; F134-L144 HydrophobicContact CD2-CB 4.35Å; F134-L144 HydrophobicContact CD2-CD2 4.05Å; F134-L144 HydrophobicContact CE2-CB 4.25Å; F134-L144 HydrophobicContact CE2-CD2 3.65Å; F134-L144 HydrophobicContact CZ-CD2 4Å; C140-L144 WeakPolarHBondContact O-CB 2.93Å; C140-L144 PolarHBondContact O-N 2.97Å; T141-L144 PolarHBondContact O-N 3.36Å; V142-L144 PolarHBondContact O-N 2.71Å; L144-L147 PolarHBondContact O-N 2.7Å; L144-R148 WeakPolarHBondContact O-CB 3.38Å; L144-R148 PolarHBondContact O-N 2.88Å; L144-Y188 HydrophobicContact CD1-CD1 4.25Å; L144-Y188 HydrophobicContact CD1-CG 4.32Å; L144-Y188 HydrophobicContact CD2-CD1 4.24Å; L144-Y188 HydrophobicContact CD2-CD2 3.57Å; L144-Y188 HydrophobicContact CD2-CE1 4.46Å; L144-Y188 HydrophobicContact CD2-CE2 3.82Å; L144-Y188 HydrophobicContact CD2-CG 3.79Å; L144-Y188 HydrophobicContact CG-CD1 3.89Å; L144-Y188 HydrophobicContact CG-CD2 4.12Å; L144-Y188 HydrophobicContact CG-CE1 3.99Å; L144-Y188 HydrophobicContact CG-CE2 4.2Å; L144-Y188 HydrophobicContact CG-CG 3.95Å; L144-L190 HydrophobicContact CD1-CD1 4.18Å; L144-L190 HydrophobicContact CD1-CD2 4.13Å; L144-L190 HydrophobicContact CD2-CD2 4.18Å
145H98.7Very high97.5Very high3 Ų319.5 Ų19.51%0.01410%0.095CC..Hα-helixtrans-68.9-41.7178.2-159.878.4000112.8P85 T141 V142 L143 L147 R148 Y149 Y188 F260 I266P85-H145 PolarHBondContact O-CE1 3.22Å; T141-H145 PolarHBondContact O-N 2.84Å; V142-H145 PolarHBondContact O-N 2.86Å; V142-H145 VanDerWaalsContact O-N 3.14Å; L143-H145 PolarHBondContact O-N 3.04Å; H145-L147 VanDerWaalsContact C-N 3.32Å; H145-L147 PolarHBondContact O-N 3.29Å; H145-R148 WeakPolarHBondContact O-CB 2.94Å; H145-R148 PolarHBondContact O-N 3.39Å; H145-Y149 PolarHBondContact O-N 3.06Å; H145-Y188 HydrophobicContact CB-CE1 4.47Å; H145-Y188 AromaticContact ND1-CE1 3.8Å; H145-Y188 AromaticContact ND1-CZ 3.74Å; H145-Y188 PolarHBondContact ND1-OH 2.83Å; H145-F260 HydrophobicContact CB-CE1 4.18Å; H145-I266 HydrophobicContact CB-CD1 3.88Å; H145-I266 VanDerWaalsContact CG-CD1 3.48Å
146I98.7Very high97.6Very high0 Ų020.6 Ų20.60%010%0.101CC..Hα-helixtrans-62.5-40.9173.7-64.3172.6000110.7M93 A114 V115 V118 V142 L143 Y149 A150 L249 W252 F260M93-I146 HydrophobicContact CE-CG1 4.18Å; A114-I146 HydrophobicContact CB-CD1 4.42Å; V115-I146 HydrophobicContact CG2-CG2 4.21Å; V118-I146 HydrophobicContact CB-CG2 4.07Å; V118-I146 HydrophobicContact CG1-CG2 4.3Å; V118-I146 HydrophobicContact CG2-CG2 3.87Å; V142-I146 HydrophobicContact CG1-CD1 3.98Å; V142-I146 WeakPolarHBondContact O-CG1 3.43Å; V142-I146 PolarHBondContact O-N 3.49Å; L143-I146 PolarHBondContact O-N 3.46Å; I146-Y149 WeakPolarHBondContact O-CB 3.41Å; I146-Y149 PolarHBondContact O-N 3.14Å; I146-A150 WeakPolarHBondContact O-CB 3.29Å; I146-A150 PolarHBondContact O-N 3.41Å; I146-L249 HydrophobicContact CD1-CD2 3.92Å; I146-W252 HydrophobicContact CD1-CH2 4.24Å; I146-W252 HydrophobicContact CD1-CZ2 4.22Å; I146-F260 HydrophobicContact CG1-CE1 4.47Å; I146-F260 HydrophobicContact CG1-CE2 4.46Å; I146-F260 HydrophobicContact CG1-CZ 3.92Å
147L98.4Very high97.5Very high0 Ų022.5 Ų22.50%011%0.111CC..Hα-helixtrans-63-42.6174.4-79.6163.4000111.7V118 L122 L132 L143 L144 H145 Y149 A150 L151 L163 F217V118-L147 HydrophobicContact CG1-CD2 3.62Å; V118-L147 HydrophobicContact CG1-CG 4.19Å; L122-L147 HydrophobicContact CD1-CD2 4.28Å; L132-L147 HydrophobicContact CD1-CD1 3.88Å; L132-L147 HydrophobicContact CD2-CD1 4.08Å; L132-L147 HydrophobicContact CG-CD1 4.38Å; L143-L147 HydrophobicContact CD1-CD1 4.03Å; L143-L147 HydrophobicContact CD1-CG 4.15Å; L143-L147 HydrophobicContact CG-CD1 4Å; L143-L147 WeakPolarHBondContact O-CB 3.41Å; L143-L147 WeakPolarHBondContact O-CG 3.37Å; L143-L147 PolarHBondContact O-N 2.92Å; L144-L147 PolarHBondContact O-N 2.7Å; H145-L147 VanDerWaalsContact C-N 3.32Å; H145-L147 PolarHBondContact O-N 3.29Å; L147-Y149 VanDerWaalsContact C-N 3.34Å; L147-Y149 PolarHBondContact O-N 3.38Å; L147-A150 PolarHBondContact O-N 2.99Å; L147-L151 WeakPolarHBondContact O-CB 3.49Å; L147-L151 VanDerWaalsContact O-CG 3.24Å; L147-L151 WeakPolarHBondContact O-CG 3.07Å; L147-L151 PolarHBondContact O-N 3.5Å; L147-L163 HydrophobicContact CB-CD2 4.3Å; L147-L163 HydrophobicContact CD1-CD2 4.07Å; L147-F217 HydrophobicContact CD1-CB 4.3Å; L147-F217 HydrophobicContact CD1-CD2 4.25Å; L147-F217 HydrophobicContact CD1-CG 4.27Å; L147-F217 HydrophobicContact CD2-CD2 3.9Å; L147-F217 HydrophobicContact CD2-CE2 3.74Å; L147-F217 HydrophobicContact CD2-CG 4.44Å; L147-F217 HydrophobicContact CD2-CZ 4.15Å
148R98Very high97.2Very high5 Ų527.9 Ų27.92%0.01913%0.132CC..Hα-helixtrans-59.3-45.6175.2175.358.7-167.365.53111.2V86 A89 L144 H145 E152 K158 C160 Y188V86-R148 HydrophobicContact CG1-CG 4.1Å; A89-R148 HydrophobicContact CB-CG 4.23Å; L144-R148 WeakPolarHBondContact O-CB 3.38Å; L144-R148 PolarHBondContact O-N 2.88Å; H145-R148 WeakPolarHBondContact O-CB 2.94Å; H145-R148 PolarHBondContact O-N 3.39Å; R148-E152 IonicContact CZ-OE2 3.02Å; R148-E152 VanDerWaalsContact CZ-OE2 3.26Å; R148-E152 IonicContact NH1-OE2 2.74Å; R148-E152 PolarHBondContact NH1-OE2 3.01Å; R148-E152 IonicContact NH2-OE2 2.65Å; R148-E152 PolarHBondContact NH2-OE2 2.88Å; R148-E152 PolarHBondContact O-N 3.26Å; R148-K158 VanDerWaalsContact CZ-O 3.27Å; R148-K158 PolarHBondContact NE-O 3.48Å; R148-K158 VanDerWaalsContact NE-O 3.14Å; R148-K158 VanDerWaalsContact NH2-C 3.3Å; R148-K158 PolarHBondContact NH2-O 3.08Å; R148-C160 VanDerWaalsContact CD-SG 3.56Å; R148-Y188 HydrophobicContact CB-CD1 3.84Å; R148-Y188 HydrophobicContact CB-CE1 3.83Å; R148-Y188 HydrophobicContact CG-CD1 3.97Å; R148-Y188 HydrophobicContact CG-CE1 4.09Å
149Y98.4Very high96.8Very high11 Ų1130.4 Ų30.44%0.04315%0.146CC..Hα-helixtrans-56.1-51.8172.8161.8-101.5000111.4V90 M93 E94 V115 L119 H145 I146 L147 L151 E152 K153V90-Y149 HydrophobicContact CB-CD2 4.45Å; V90-Y149 HydrophobicContact CB-CE2 4.38Å; V90-Y149 HydrophobicContact CG1-CE2 4.33Å; V90-Y149 HydrophobicContact CG2-CD2 4.04Å; V90-Y149 HydrophobicContact CG2-CE2 4.15Å; M93-Y149 HydrophobicContact CB-CD2 3.36Å; M93-Y149 HydrophobicContact CB-CE2 3.75Å; M93-Y149 HydrophobicContact CB-CG 3.95Å; M93-Y149 HydrophobicContact CG-CD1 4.11Å; M93-Y149 HydrophobicContact CG-CD2 3.52Å; M93-Y149 HydrophobicContact CG-CE1 4.39Å; M93-Y149 HydrophobicContact CG-CE2 3.81Å; M93-Y149 HydrophobicContact CG-CG 3.67Å; E94-Y149 HydrophobicContact CG-CE2 4.25Å; V115-Y149 HydrophobicContact CG1-CD1 4.16Å; V115-Y149 HydrophobicContact CG1-CE1 3.55Å; L119-Y149 HydrophobicContact CD1-CE1 4.49Å; H145-Y149 PolarHBondContact O-N 3.06Å; I146-Y149 WeakPolarHBondContact O-CB 3.41Å; I146-Y149 PolarHBondContact O-N 3.14Å; L147-Y149 VanDerWaalsContact C-N 3.34Å; L147-Y149 PolarHBondContact O-N 3.38Å; Y149-L151 PolarHBondContact O-N 3.46Å; Y149-E152 PolarHBondContact O-N 3.39Å; Y149-K153 HydrophobicContact CE2-CB 4.43Å; Y149-K153 WeakPolarHBondContact O-CB 3.22Å; Y149-K153 PolarHBondContact O-N 3.34Å
150A98.2Very high96.5Very high0 Ų029.4 Ų29.40%014%0.141CC..Hα-helixtrans-66.2-37.6-174.700000113.1V118 L119 L122 I146 L147 K153 L154V118-A150 HydrophobicContact CG1-CB 3.67Å; L119-A150 HydrophobicContact CD2-CB 3.72Å; L119-A150 HydrophobicContact CG-CB 4.32Å; L122-A150 HydrophobicContact CD1-CB 3.53Å; I146-A150 WeakPolarHBondContact O-CB 3.29Å; I146-A150 PolarHBondContact O-N 3.41Å; L147-A150 PolarHBondContact O-N 2.99Å; A150-K153 PolarHBondContact O-N 3.35Å; A150-L154 WeakPolarHBondContact O-CB 3.47Å; A150-L154 WeakPolarHBondContact O-CG 3.34Å; A150-L154 PolarHBondContact O-N 3.45Å
151L97.3Very high96.3Very high1 Ų131.8 Ų31.81%0.00516%0.158CC..Hα-helixtrans-63-41.6175.5-73.3168.5000111.9L122 I127 L147 Y149 F155 L157 C160 L163L122-L151 HydrophobicContact CD1-CD2 4.36Å; L122-L151 HydrophobicContact CD1-CG 4.46Å; L122-L151 HydrophobicContact CD2-CD2 4.21Å; I127-L151 HydrophobicContact CD1-CD2 4.13Å; L147-L151 WeakPolarHBondContact O-CB 3.49Å; L147-L151 VanDerWaalsContact O-CG 3.24Å; L147-L151 WeakPolarHBondContact O-CG 3.07Å; L147-L151 PolarHBondContact O-N 3.5Å; Y149-L151 PolarHBondContact O-N 3.46Å; L151-F155 HydrophobicContact CD2-CD2 4.09Å; L151-F155 HydrophobicContact CD2-CE2 4.34Å; L151-F155 WeakPolarHBondContact O-CB 3.46Å; L151-F155 PolarHBondContact O-N 2.87Å; L151-L157 HydrophobicContact CB-CB 4.38Å; L151-L157 HydrophobicContact CD2-CD1 4.2Å; L151-L157 PolarHBondContact O-N 3.47Å; L151-C160 HydrophobicContact CD1-CB 4.43Å; L151-L163 HydrophobicContact CD1-CB 4.14Å; L151-L163 HydrophobicContact CD1-CD2 4.36Å
152E97.5Very high96Very high17 Ų1735.8 Ų35.88%0.07918%0.179CC..Hα-helixtrans-71.2-40.2174.9-178.3173.3-165.300111.8A89 V90 R148 Y149 N156 L157 K158A89-E152 PolarHBondContact N-OE2 3.21Å; V90-E152 HydrophobicContact CB-CG 4.49Å; V90-E152 HydrophobicContact CG2-CB 3.78Å; V90-E152 HydrophobicContact CG2-CG 3.55Å; R148-E152 IonicContact CZ-OE2 3.02Å; R148-E152 VanDerWaalsContact CZ-OE2 3.26Å; R148-E152 IonicContact NH1-OE2 2.74Å; R148-E152 PolarHBondContact NH1-OE2 3.01Å; R148-E152 IonicContact NH2-OE2 2.65Å; R148-E152 PolarHBondContact NH2-OE2 2.88Å; R148-E152 PolarHBondContact O-N 3.26Å; Y149-E152 PolarHBondContact O-N 3.39Å; E152-N156 WeakPolarHBondContact O-CA 3.38Å; E152-N156 PolarHBondContact O-N 3.04Å; E152-L157 VanDerWaalsContact CA-O 3.31Å; E152-L157 WeakPolarHBondContact CA-O 3.43Å; E152-L157 VanDerWaalsContact CB-O 3.32Å; E152-L157 WeakPolarHBondContact CB-O 3.15Å; E152-K158 HydrophobicContact CG-CD 4.13Å; E152-K158 VanDerWaalsContact OE1-CD 3.25Å; E152-K158 WeakPolarHBondContact OE1-CD 3.45Å; E152-K158 IonicContact OE1-NZ 3.41Å; E152-K158 PolarHBondContact OE1-NZ 3.36Å
153K97.4Very high95.8Very high101 Ų10135.8 Ų35.844%0.43918%0.179SC..Hα-helixtrans-63.4-43.2-179.3-175.164.1178.4-176.10112.6V90 E94 L119 Y149 A150V90-K153 HydrophobicContact CG1-CD 4.1Å; V90-K153 HydrophobicContact CG2-CB 4.09Å; E94-K153 IonicContact OE1-NZ 3.36Å; E94-K153 PolarHBondContact OE1-NZ 2.95Å; L119-K153 HydrophobicContact CD2-CB 4.37Å; L119-K153 HydrophobicContact CD2-CG 4.32Å; Y149-K153 HydrophobicContact CE2-CB 4.43Å; Y149-K153 WeakPolarHBondContact O-CB 3.22Å; Y149-K153 PolarHBondContact O-N 3.34Å; A150-K153 PolarHBondContact O-N 3.35Å
154L97Very high95.7Very high65 Ų6536 Ų3634%0.3418%0.18SC..Hα-helixtrans-89.6-35.8-174.9-66.7176.7000113.4L119 L122 A150L119-L154 HydrophobicContact CB-CD1 4.43Å; L119-L154 HydrophobicContact CD2-CD1 3.75Å; L119-L154 HydrophobicContact CD2-CD2 3.98Å; L119-L154 HydrophobicContact CD2-CG 3.63Å; L122-L154 HydrophobicContact CB-CD1 3.72Å; L122-L154 HydrophobicContact CD1-CD1 4.45Å; A150-L154 WeakPolarHBondContact O-CB 3.47Å; A150-L154 WeakPolarHBondContact O-CG 3.34Å; A150-L154 PolarHBondContact O-N 3.45Å
155F95.9Very high95.7Very high86 Ų8636 Ų3638%0.37718%0.18SC..Hα-helixtrans-123.52.6-168.3-50.1-67000113.5L122 I127 L151 L157L122-F155 HydrophobicContact CB-CE2 4.15Å; L122-F155 HydrophobicContact CB-CZ 4.43Å; I127-F155 HydrophobicContact CD1-CD2 3.82Å; I127-F155 HydrophobicContact CD1-CE2 3.72Å; I127-F155 HydrophobicContact CD1-CG 4.31Å; I127-F155 HydrophobicContact CD1-CZ 4.13Å; I127-F155 HydrophobicContact CG1-CE2 4.23Å; I127-F155 HydrophobicContact CG1-CZ 4.46Å; L151-F155 HydrophobicContact CD2-CD2 4.09Å; L151-F155 HydrophobicContact CD2-CE2 4.34Å; L151-F155 WeakPolarHBondContact O-CB 3.46Å; L151-F155 PolarHBondContact O-N 2.87Å; F155-L157 HydrophobicContact CB-CD1 3.93Å; F155-L157 HydrophobicContact CB-CG 3.76Å; F155-L157 HydrophobicContact CD2-CD1 4.47Å; F155-L157 PolarHBondContact O-N 3.2Å; F155-L157 VanDerWaalsContact O-N 3.09Å
156N95.1Very high95.6Very high111 Ų11136 Ų3659%0.59418%0.18SC*.  trans54.524.7-173.9-164.138.4000113.5E152 K158E152-N156 WeakPolarHBondContact O-CA 3.38Å; E152-N156 PolarHBondContact O-N 3.04Å; N156-K158 PolarHBondContact O-N 3Å; N156-K158 WeakPolarHBondContact OD1-CE 3.35Å; N156-K158 PolarHBondContact OD1-NZ 3.19Å
157L92.9Very high95.6Very high40 Ų4036.4 Ų36.421%0.20918%0.182CC..  trans-76.4115.2175.7-65.9175.6000109.1I127 L151 E152 F155 D159 N162I127-L157 HydrophobicContact CD1-CD1 4.33Å; L151-L157 HydrophobicContact CB-CB 4.38Å; L151-L157 HydrophobicContact CD2-CD1 4.2Å; L151-L157 PolarHBondContact O-N 3.47Å; E152-L157 VanDerWaalsContact CA-O 3.31Å; E152-L157 WeakPolarHBondContact CA-O 3.43Å; E152-L157 VanDerWaalsContact CB-O 3.32Å; E152-L157 WeakPolarHBondContact CB-O 3.15Å; F155-L157 HydrophobicContact CB-CD1 3.93Å; F155-L157 HydrophobicContact CB-CG 3.76Å; F155-L157 HydrophobicContact CD2-CD1 4.47Å; F155-L157 PolarHBondContact O-N 3.2Å; F155-L157 VanDerWaalsContact O-N 3.09Å; L157-D159 PolarHBondContact O-N 2.96Å; L157-N162 HydrophobicContact CD1-CB 4.18Å; L157-N162 WeakPolarHBondContact CD2-ND2 3.43Å
158K90.1Very high95.5Very high119 Ų11937.5 Ų37.552%0.51719%0.187SC..SBendtrans-79.80.6-177.3-57.1-57.1179.8-173.20113.7R148 E152 N156R148-K158 VanDerWaalsContact CZ-O 3.27Å; R148-K158 PolarHBondContact NE-O 3.48Å; R148-K158 VanDerWaalsContact NE-O 3.14Å; R148-K158 VanDerWaalsContact NH2-C 3.3Å; R148-K158 PolarHBondContact NH2-O 3.08Å; E152-K158 HydrophobicContact CG-CD 4.13Å; E152-K158 VanDerWaalsContact OE1-CD 3.25Å; E152-K158 WeakPolarHBondContact OE1-CD 3.45Å; E152-K158 IonicContact OE1-NZ 3.41Å; E152-K158 PolarHBondContact OE1-NZ 3.36Å; N156-K158 PolarHBondContact O-N 3Å; N156-K158 WeakPolarHBondContact OD1-CE 3.35Å; N156-K158 PolarHBondContact OD1-NZ 3.19Å
159D89Confident95.3Very high54 Ų5439.3 Ų39.329%0.28920%0.195SC..SBendtrans-149.6179178.365.248.9000112L157 S161L157-D159 PolarHBondContact O-N 2.96Å; D159-S161 WeakPolarHBondContact OD1-CB 3.21Å; D159-S161 PolarHBondContact OD1-N 2.75Å; D159-S161 PolarHBondContact OD1-OG 3.36Å
160C92.8Very high94.9Very high0 Ų041 Ų410%021%0.208CC..SBendtrans-102.121.7179.6-63.30000113.5R148 L151 N162 L163 Y188 S189 L190R148-C160 VanDerWaalsContact CD-SG 3.56Å; L151-C160 HydrophobicContact CD1-CB 4.43Å; C160-N162 PolarHBondContact O-N 3.25Å; C160-L163 HydrophobicContact CB-CB 4.34Å; C160-L163 WeakPolarHBondContact O-CB 3.41Å; C160-L163 PolarHBondContact O-N 3.42Å; C160-Y188 WeakPolarHBondContact CB-O 3.32Å; C160-Y188 PolarHBondContact N-O 3.01Å; C160-S189 CarbonylContact C-O 3.58Å; C160-L190 HydrophobicContact CB-CB 4.42Å; C160-L190 HydrophobicContact CB-CD1 3.91Å
161S92.6Very high94.5Very high54 Ų5450.6 Ų50.638%0.37824%0.244SC..THydrogen-bonded Turntrans-62.8-30-175.6600000113.5D159 L163 S189D159-S161 WeakPolarHBondContact OD1-CB 3.21Å; D159-S161 PolarHBondContact OD1-N 2.75Å; D159-S161 PolarHBondContact OD1-OG 3.36Å; S161-L163 VanDerWaalsContact C-N 3.33Å; S161-S189 WeakPolarHBondContact CA-O 3.44Å; S161-S189 PolarHBondContact N-O 2.92Å; S161-S189 VanDerWaalsContact N-O 3.13Å
162N91.3Very high94.1Very high84 Ų8451.9 Ų51.945%0.44925%0.253SS..THydrogen-bonded Turntrans-80.7-12.8176.5-70.1-62000113.7I127 L157 C160I127-N162 HydrophobicContact CG2-CB 4.3Å; I127-N162 WeakPolarHBondContact CG2-O 3.36Å; L157-N162 HydrophobicContact CD1-CB 4.18Å; L157-N162 WeakPolarHBondContact CD2-ND2 3.43Å; C160-N162 PolarHBondContact O-N 3.25Å
163L95Very high93.8Very high1 Ų151.9 Ų51.91%0.00525%0.254CS..SBendtrans-87.7118.1177.6-178.464.7000109.4I130 L132 L147 L151 C160 S161 A165 L190I130-L163 HydrophobicContact CG2-CD1 4.09Å; L132-L163 HydrophobicContact CB-CD2 4.28Å; L132-L163 HydrophobicContact CB-CG 4.5Å; L132-L163 HydrophobicContact CD2-CD2 4.12Å; L147-L163 HydrophobicContact CB-CD2 4.3Å; L147-L163 HydrophobicContact CD1-CD2 4.07Å; L151-L163 HydrophobicContact CD1-CB 4.14Å; L151-L163 HydrophobicContact CD1-CD2 4.36Å; C160-L163 HydrophobicContact CB-CB 4.34Å; C160-L163 WeakPolarHBondContact O-CB 3.41Å; C160-L163 PolarHBondContact O-N 3.42Å; S161-L163 VanDerWaalsContact C-N 3.33Å; L163-A165 PolarHBondContact O-N 3.31Å; L163-L190 HydrophobicContact CB-CD1 4.28Å; L163-L190 HydrophobicContact CD2-CD1 4.1Å; L163-L190 HydrophobicContact CG-CD1 4.27Å
164C96.6Very high93.7Very high3 Ų347.9 Ų47.92%0.0224%0.237CC..EExtended strand (participates in β ladder)trans-73.4115.3171-174.20000108.8A131 L132A131-C164 CarbonylContact C-O 3.54Å; A131-C164 WeakPolarHBondContact CA-O 3.41Å; L132-C164 PolarHBondContact N-O 3.1Å
165A98.1Very high93.6Very high0 Ų048.9 Ų48.90%025%0.247CC..EExtended strand (participates in β ladder)trans-109.3151.9165.900000110.1L132 F134 L163 L190 K191 L192 L193L132-A165 HydrophobicContact CB-CB 4.15Å; L132-A165 HydrophobicContact CD2-CB 4.41Å; L132-A165 HydrophobicContact CG-CB 4.47Å; L132-A165 CarbonylContact O-C 3.56Å; L132-A165 VanDerWaalsContact O-CA 3.23Å; L132-A165 WeakPolarHBondContact O-CA 3.18Å; F134-A165 HydrophobicContact CB-CB 4.43Å; L163-A165 PolarHBondContact O-N 3.31Å; A165-L190 HydrophobicContact CB-CD1 3.65Å; A165-L190 HydrophobicContact CB-CD2 3.54Å; A165-L190 HydrophobicContact CB-CG 3.68Å; A165-K191 PolarHBondContact N-O 3.08Å; A165-L192 HydrophobicContact CB-CD1 3.7Å; A165-L193 PolarHBondContact O-N 3.16Å
166F98Very high93.6Very high5 Ų548.4 Ų48.42%0.02225%0.246CC..EExtended strand (participates in β ladder)trans-128146.716865.7-92.3000110.4A131 L132 F134 I168 L193 L203 F206 V216A131-F166 HydrophobicContact CB-CD1 4.2Å; A131-F166 HydrophobicContact CB-CE1 4.18Å; L132-F166 PolarHBondContact O-N 2.69Å; F134-F166 PolarHBondContact N-O 2.91Å; F166-I168 HydrophobicContact CD2-CD1 4.19Å; F166-I168 HydrophobicContact CD2-CG1 4.01Å; F166-I168 HydrophobicContact CE2-CD1 3.96Å; F166-I168 HydrophobicContact CE2-CG1 4.26Å; F166-L193 CarbonylContact C-O 3.54Å; F166-L193 WeakPolarHBondContact CA-O 3.48Å; F166-L193 HydrophobicContact CB-CB 4.36Å; F166-L203 HydrophobicContact CE2-CD2 3.7Å; F166-L203 HydrophobicContact CZ-CD2 3.74Å; F166-F206 HydrophobicContact CB-CD2 4.11Å; F166-F206 HydrophobicContact CB-CE2 4Å; F166-F206 HydrophobicContact CD1-CD1 4.35Å; F166-F206 HydrophobicContact CD1-CD2 4.33Å; F166-F206 AromaticContact CD1-CE1 3.92Å; F166-F206 HydrophobicContact CD1-CE1 3.92Å; F166-F206 AromaticContact CD1-CE2 3.89Å; F166-F206 HydrophobicContact CD1-CE2 3.89Å; F166-F206 AromaticContact CD1-CZ 3.66Å; F166-F206 HydrophobicContact CD1-CZ 3.66Å; F166-F206 HydrophobicContact CE1-CD1 4.5Å; F166-F206 HydrophobicContact CE1-CE1 4.07Å; F166-F206 HydrophobicContact CE1-CZ 4.23Å; F166-F206 HydrophobicContact CG-CD2 4.32Å; F166-F206 HydrophobicContact CG-CE2 4.21Å; F166-F206 HydrophobicContact CG-CZ 4.41Å; F166-V216 HydrophobicContact CE1-CG1 3.83Å; F166-V216 HydrophobicContact CE1-CG2 4.46Å; F166-V216 HydrophobicContact CZ-CG1 3.89Å
167Y97.4Very high93.6Very high7 Ų743.5 Ų43.53%0.02722%0.22CC..EExtended strand (participates in β ladder)trans-121.6123.5173.2171.4-133.5000108F134 N135 K169 V181 L193 Q194 Y195F134-Y167 WeakPolarHBondContact O-CA 3.41Å; F134-Y167 WeakPolarHBondContact O-CB 3.23Å; F134-Y167 WeakPolarHBondContact O-CD2 3.34Å; N135-Y167 HydrophobicContact CB-CD2 4.37Å; N135-Y167 HydrophobicContact CB-CE2 4.41Å; Y167-K169 HydrophobicContact CD1-CB 4.24Å; Y167-K169 HydrophobicContact CE1-CB 3.63Å; Y167-K169 HydrophobicContact CE1-CD 4.48Å; Y167-K169 HydrophobicContact CE1-CG 4.11Å; Y167-V181 HydrophobicContact CD1-CG1 3.98Å; Y167-V181 HydrophobicContact CE1-CG1 4.33Å; Y167-V181 HydrophobicContact CG-CG1 4.24Å; Y167-L193 PolarHBondContact N-O 2.83Å; Y167-Q194 HydrophobicContact CD1-CG 4.34Å; Y167-Q194 WeakPolarHBondContact O-CA 3.24Å; Y167-Y195 PolarHBondContact O-N 2.89Å
168I96.1Very high93.7Very high24 Ų2444.6 Ų44.612%0.12322%0.224CC..EExtended strand (participates in β ladder)trans-100.4102.3172.2-58.2169.1000106.5F166 P170 Y195 I199 A202 L203F166-I168 HydrophobicContact CD2-CD1 4.19Å; F166-I168 HydrophobicContact CD2-CG1 4.01Å; F166-I168 HydrophobicContact CE2-CD1 3.96Å; F166-I168 HydrophobicContact CE2-CG1 4.26Å; I168-P170 VanDerWaalsContact O-CD 3.32Å; I168-P170 WeakPolarHBondContact O-CD 3.41Å; I168-Y195 CarbonylContact C-O 3.58Å; I168-Y195 WeakPolarHBondContact CA-O 3.4Å; I168-I199 HydrophobicContact CD1-CG2 4.03Å; I168-I199 HydrophobicContact CG2-CG1 4.5Å; I168-A202 HydrophobicContact CB-CB 4.44Å; I168-A202 HydrophobicContact CD1-CB 3.89Å; I168-A202 HydrophobicContact CG1-CB 3.91Å; I168-A202 HydrophobicContact CG2-CB 3.68Å; I168-L203 HydrophobicContact CD1-CD2 3.9Å; I168-L203 HydrophobicContact CD1-CG 3.82Å
169K93.8Very high94Very high42 Ų4242.6 Ų42.618%0.18322%0.219CC..EExtended strand (participates in β ladder)trans-74.9118.4179.9179.3175.7169.2172.70109.7Y167 E178 Y195 E196 G197Y167-K169 HydrophobicContact CD1-CB 4.24Å; Y167-K169 HydrophobicContact CE1-CB 3.63Å; Y167-K169 HydrophobicContact CE1-CD 4.48Å; Y167-K169 HydrophobicContact CE1-CG 4.11Å; K169-E178 VanDerWaalsContact CE-CD 3.44Å; K169-E178 WeakPolarHBondContact CE-OE1 3.45Å; K169-E178 IonicContact NZ-OE1 2.96Å; K169-E178 PolarHBondContact NZ-OE1 2.82Å; K169-E178 IonicContact NZ-OE2 2.78Å; K169-E178 PolarHBondContact NZ-OE2 3.14Å; K169-Y195 PolarHBondContact N-O 3.15Å; K169-E196 HydrophobicContact CB-CG 4.38Å; K169-E196 WeakPolarHBondContact O-CA 3.47Å; K169-G197 PolarHBondContact O-N 3.16Å
170P90.5Very high94.4Very high47 Ų4740.6 Ų40.631%0.30521%0.208SC..  trans-61.6152.6168.9-19.731.7000111.3I168 S172 T173I168-P170 VanDerWaalsContact O-CD 3.32Å; I168-P170 WeakPolarHBondContact O-CD 3.41Å; P170-S172 PolarHBondContact O-N 3.47Å; P170-S172 VanDerWaalsContact O-N 3.07Å; P170-T173 WeakPolarHBondContact CD-OG1 3.23Å; P170-T173 PolarHBondContact O-OG1 3.21Å
171W89Confident94.7Very high202 Ų20240.7 Ų40.777%0.76521%0.208SC*.SBendtrans-54-31.4176.9-61.1124.9000113.9E196W171-E196 HydrophobicContact CH2-CB 4.47Å; W171-E196 HydrophobicContact CZ3-CB 4.08Å
172S90.8Very high94.9Very high27 Ų2742.2 Ų42.219%0.18922%0.216CC..SBendtrans-124.1101.4-178.8-172.80000109.1P170 S281 K282 D283P170-S172 PolarHBondContact O-N 3.47Å; P170-S172 VanDerWaalsContact O-N 3.07Å; S172-S281 CarbonylContact O-C 3.4Å; S172-S281 WeakPolarHBondContact O-CA 3.29Å; S172-S281 WeakPolarHBondContact O-CB 3.42Å; S172-K282 PolarHBondContact O-N 3.19Å; S172-K282 WeakPolarHBondContact OG-CB 3.44Å; S172-D283 WeakPolarHBondContact CB-OD2 3.47Å; S172-D283 PolarHBondContact OG-OD1 2.93Å; S172-D283 PolarHBondContact OG-OD2 3.49Å
173T90.8Very high95.1Very high17 Ų1741.1 Ų41.110%0.10421%0.207CC..  trans-123.2149.7-177-58.30000110P170 V177 E178P170-T173 WeakPolarHBondContact CD-OG1 3.23Å; P170-T173 PolarHBondContact O-OG1 3.21Å; T173-V177 HydrophobicContact CG2-CB 3.95Å; T173-V177 HydrophobicContact CG2-CG1 4.05Å; T173-E178 HydrophobicContact CG2-CG 3.76Å
174F93.9Very high95.3Very high18 Ų1841.1 Ų41.18%0.07921%0.207CC..  trans-72.4132.1170.8-67.1-88.7000110.4E176 V177 E178 L271 F276 K282 C285F174-E176 PolarHBondContact O-N 2.85Å; F174-E176 VanDerWaalsContact O-N 3.12Å; F174-V177 HydrophobicContact CB-CB 4.43Å; F174-V177 HydrophobicContact CB-CG2 3.98Å; F174-V177 WeakPolarHBondContact O-CB 3.45Å; F174-V177 PolarHBondContact O-N 3.39Å; F174-E178 PolarHBondContact O-N 3.27Å; F174-L271 HydrophobicContact CB-CD1 3.62Å; F174-L271 HydrophobicContact CD1-CD1 3.96Å; F174-L271 HydrophobicContact CD1-CD2 4.5Å; F174-L271 HydrophobicContact CD2-CD1 3.91Å; F174-L271 HydrophobicContact CG-CD1 3.57Å; F174-F276 HydrophobicContact CE1-CE1 4.07Å; F174-F276 HydrophobicContact CE1-CZ 4.08Å; F174-F276 HydrophobicContact CE2-CE1 4.33Å; F174-F276 AromaticContact CZ-CE1 3.65Å; F174-F276 HydrophobicContact CZ-CE1 3.65Å; F174-F276 HydrophobicContact CZ-CZ 4.14Å; F174-K282 HydrophobicContact CD1-CG 4.09Å; F174-K282 HydrophobicContact CD2-CB 4.26Å; F174-K282 HydrophobicContact CE1-CB 4.36Å; F174-K282 HydrophobicContact CE1-CG 3.77Å; F174-K282 VanDerWaalsContact CE2-CA 3.48Å; F174-K282 HydrophobicContact CE2-CB 4.07Å; F174-K282 HydrophobicContact CE2-CG 4.36Å; F174-K282 HydrophobicContact CG-CB 4.48Å; F174-K282 HydrophobicContact CZ-CB 4.11Å; F174-K282 HydrophobicContact CZ-CG 3.91Å; F174-C285 HydrophobicContact CE2-CB 3.95Å; F174-C285 HydrophobicContact CZ-CB 4.15Å
175P95.4Very high95.3Very high86 Ų8641.8 Ų41.856%0.55821%0.213SC*.Hα-helixtrans-52-34.7174.9-27.735.5000113.5V177 E178 D179P175-V177 VanDerWaalsContact C-N 3.3Å; P175-V177 PolarHBondContact O-N 3.18Å; P175-E178 PolarHBondContact O-N 3.25Å; P175-D179 WeakPolarHBondContact O-CB 3.39Å; P175-D179 PolarHBondContact O-N 3.03Å
176E95.9Very high95.3Very high75 Ų7546.2 Ų46.235%0.3524%0.244SC..Hα-helixtrans-65.1-30.3177.7-61.289.2158.500113.1F174 F180 C269 V270 L271F174-E176 PolarHBondContact O-N 2.85Å; F174-E176 VanDerWaalsContact O-N 3.12Å; E176-F180 WeakPolarHBondContact O-CB 3.41Å; E176-F180 PolarHBondContact O-N 3.47Å; E176-F180 VanDerWaalsContact O-N 3.09Å; E176-C269 PolarHBondContact O-SG 3.38Å; E176-V270 HydrophobicContact CB-CG1 4.01Å; E176-V270 HydrophobicContact CG-CG1 3.88Å; E176-L271 HydrophobicContact CB-CD1 4.16Å; E176-L271 HydrophobicContact CB-CD2 4.22Å; E176-L271 HydrophobicContact CB-CG 3.84Å; E176-L271 HydrophobicContact CG-CD2 4.11Å; E176-L271 HydrophobicContact CG-CG 4.28Å
177V95.7Very high95.2Very high8 Ų849.9 Ų49.95%0.04826%0.257CS..Hα-helixtrans-73.2-44174174.20000109.8T173 F174 P175 F180 V181 L271 L279T173-V177 HydrophobicContact CG2-CB 3.95Å; T173-V177 HydrophobicContact CG2-CG1 4.05Å; F174-V177 HydrophobicContact CB-CB 4.43Å; F174-V177 HydrophobicContact CB-CG2 3.98Å; F174-V177 WeakPolarHBondContact O-CB 3.45Å; F174-V177 PolarHBondContact O-N 3.39Å; P175-V177 VanDerWaalsContact C-N 3.3Å; P175-V177 PolarHBondContact O-N 3.18Å; V177-F180 PolarHBondContact O-N 2.74Å; V177-V181 HydrophobicContact CG1-CG2 4.39Å; V177-V181 WeakPolarHBondContact O-CB 3.46Å; V177-V181 VanDerWaalsContact O-CG2 3.27Å; V177-V181 WeakPolarHBondContact O-CG2 3.46Å; V177-V181 PolarHBondContact O-N 2.77Å; V177-L271 HydrophobicContact CG2-CD1 3.92Å; V177-L279 HydrophobicContact CG2-CD1 4.07Å
178E95.4Very high95.2Very high63 Ų6349.8 Ų49.829%0.29426%0.257SS..Hα-helixtrans-63.7-47.2178.7-63.1-171.6-146.200111.5K169 T173 F174 P175 F180 V181 V182K169-E178 VanDerWaalsContact CE-CD 3.44Å; K169-E178 WeakPolarHBondContact CE-OE1 3.45Å; K169-E178 IonicContact NZ-OE1 2.96Å; K169-E178 PolarHBondContact NZ-OE1 2.82Å; K169-E178 IonicContact NZ-OE2 2.78Å; K169-E178 PolarHBondContact NZ-OE2 3.14Å; T173-E178 HydrophobicContact CG2-CG 3.76Å; F174-E178 PolarHBondContact O-N 3.27Å; P175-E178 PolarHBondContact O-N 3.25Å; E178-F180 VanDerWaalsContact C-N 3.32Å; E178-F180 PolarHBondContact O-N 2.78Å; E178-V181 PolarHBondContact O-N 3.17Å; E178-V182 WeakPolarHBondContact O-CG2 3.47Å; E178-V182 PolarHBondContact O-N 3.3Å
179D96.5Very high95.2Very high77 Ų7751.8 Ų51.841%0.41227%0.273SS..Hα-helixtrans-56.8-46.6174.317864.9000111P175 V181 V182 K183P175-D179 WeakPolarHBondContact O-CB 3.39Å; P175-D179 PolarHBondContact O-N 3.03Å; D179-V181 PolarHBondContact O-N 3.45Å; D179-V182 PolarHBondContact O-N 2.87Å; D179-K183 WeakPolarHBondContact O-CB 3.42Å; D179-K183 WeakPolarHBondContact O-CG 3.37Å; D179-K183 PolarHBondContact O-N 2.86Å; D179-K183 WeakPolarHBondContact OD1-CE 3.41Å; D179-K183 IonicContact OD1-NZ 3.49Å; D179-K183 PolarHBondContact OD1-NZ 3.26Å; D179-K183 WeakPolarHBondContact OD2-CD 3.28Å; D179-K183 WeakPolarHBondContact OD2-CE 3.34Å; D179-K183 IonicContact OD2-NZ 3.89Å; D179-K183 PolarHBondContact OD2-NZ 2.78Å
180F97.5Very high95.4Very high13 Ų1350.3 Ų50.36%0.05727%0.267CS..Hα-helixtrans-62.4-40.6176.9178.3-105.7000112.9F134 G136 T141 E176 V177 E178 S184 P267 C269F134-F180 HydrophobicContact CZ-CE1 4.46Å; G136-F180 VanDerWaalsContact O-CD1 3.24Å; G136-F180 WeakPolarHBondContact O-CD1 3.4Å; G136-F180 WeakPolarHBondContact O-CE1 3.42Å; T141-F180 HydrophobicContact CG2-CZ 4.09Å; E176-F180 WeakPolarHBondContact O-CB 3.41Å; E176-F180 PolarHBondContact O-N 3.47Å; E176-F180 VanDerWaalsContact O-N 3.09Å; V177-F180 PolarHBondContact O-N 2.74Å; E178-F180 VanDerWaalsContact C-N 3.32Å; E178-F180 PolarHBondContact O-N 2.78Å; F180-S184 WeakPolarHBondContact CE2-OG 3.48Å; F180-S184 VanDerWaalsContact CZ-OG 3.26Å; F180-S184 WeakPolarHBondContact CZ-OG 3.24Å; F180-S184 WeakPolarHBondContact O-CB 3.41Å; F180-S184 PolarHBondContact O-N 3.44Å; F180-S184 PolarHBondContact O-OG 3.29Å; F180-P267 HydrophobicContact CE2-CB 4.42Å; F180-P267 WeakPolarHBondContact CE2-O 3.22Å; F180-P267 WeakPolarHBondContact CZ-O 3.48Å; F180-C269 HydrophobicContact CB-CB 4.04Å; F180-C269 HydrophobicContact CD1-CB 3.94Å; F180-C269 HydrophobicContact CD2-CB 4.43Å; F180-C269 HydrophobicContact CG-CB 3.86Å
181V97.5Very high95.5Very high1 Ų154.3 Ų54.31%0.00628%0.279CS..Hα-helixtrans-62.9-45.8177.3166.80000110.7F134 Y167 V177 E178 D179 S184 A185 L192F134-V181 HydrophobicContact CD1-CG1 4.47Å; F134-V181 HydrophobicContact CE1-CG1 4.39Å; F134-V181 HydrophobicContact CE1-CG2 4.31Å; Y167-V181 HydrophobicContact CD1-CG1 3.98Å; Y167-V181 HydrophobicContact CE1-CG1 4.33Å; Y167-V181 HydrophobicContact CG-CG1 4.24Å; V177-V181 HydrophobicContact CG1-CG2 4.39Å; V177-V181 WeakPolarHBondContact O-CB 3.46Å; V177-V181 VanDerWaalsContact O-CG2 3.27Å; V177-V181 WeakPolarHBondContact O-CG2 3.46Å; V177-V181 PolarHBondContact O-N 2.77Å; E178-V181 PolarHBondContact O-N 3.17Å; D179-V181 PolarHBondContact O-N 3.45Å; V181-S184 PolarHBondContact O-N 3.24Å; V181-A185 WeakPolarHBondContact O-CB 3.47Å; V181-A185 PolarHBondContact O-N 3.28Å; V181-L192 HydrophobicContact CG1-CD2 3.36Å
182V97Very high96Very high87 Ų8746.1 Ų46.153%0.52725%0.251SS..Hα-helixtrans-64.2-48.5178172.10000111.1E178 D179 S184 A185 S186E178-V182 WeakPolarHBondContact O-CG2 3.47Å; E178-V182 PolarHBondContact O-N 3.3Å; D179-V182 PolarHBondContact O-N 2.87Å; V182-S184 VanDerWaalsContact C-N 3.3Å; V182-S184 PolarHBondContact O-N 3.22Å; V182-A185 PolarHBondContact O-N 3.47Å; V182-S186 PolarHBondContact O-N 2.9Å
183K97.2Very high96.3Very high60 Ų6046.6 Ų46.626%0.26125%0.251SS..Hα-helixtrans-60.3-40.2176.6-75.4175.2175.7167.50111.9D44 D179 S186 R187D44-K183 IonicContact OD1-NZ 3.66Å; D44-K183 PolarHBondContact OD1-NZ 2.94Å; D44-K183 WeakPolarHBondContact OD2-CE 3.49Å; D44-K183 IonicContact OD2-NZ 3.86Å; D44-K183 PolarHBondContact OD2-NZ 3.34Å; D179-K183 WeakPolarHBondContact O-CB 3.42Å; D179-K183 WeakPolarHBondContact O-CG 3.37Å; D179-K183 PolarHBondContact O-N 2.86Å; D179-K183 WeakPolarHBondContact OD1-CE 3.41Å; D179-K183 IonicContact OD1-NZ 3.49Å; D179-K183 PolarHBondContact OD1-NZ 3.26Å; D179-K183 WeakPolarHBondContact OD2-CD 3.28Å; D179-K183 WeakPolarHBondContact OD2-CE 3.34Å; D179-K183 IonicContact OD2-NZ 3.89Å; D179-K183 PolarHBondContact OD2-NZ 2.78Å; K183-S186 PolarHBondContact O-N 2.86Å; K183-R187 VanDerWaalsContact O-CB 3.23Å; K183-R187 WeakPolarHBondContact O-CB 3.31Å; K183-R187 PolarHBondContact O-N 3.45Å
184S97.5Very high96.5Very high2 Ų251.1 Ų51.11%0.01427%0.271CS..Hα-helixtrans-66-44.4176.1-65.30000111.5F180 V181 V182 S186 R187 Y188F180-S184 WeakPolarHBondContact CE2-OG 3.48Å; F180-S184 VanDerWaalsContact CZ-OG 3.26Å; F180-S184 WeakPolarHBondContact CZ-OG 3.24Å; F180-S184 WeakPolarHBondContact O-CB 3.41Å; F180-S184 PolarHBondContact O-N 3.44Å; F180-S184 PolarHBondContact O-OG 3.29Å; V181-S184 PolarHBondContact O-N 3.24Å; V182-S184 VanDerWaalsContact C-N 3.3Å; V182-S184 PolarHBondContact O-N 3.22Å; S184-S186 VanDerWaalsContact C-N 3.3Å; S184-S186 PolarHBondContact O-N 3.32Å; S184-R187 PolarHBondContact O-N 3.35Å; S184-Y188 WeakPolarHBondContact O-CD2 3.31Å; S184-Y188 PolarHBondContact O-N 2.96Å
185A97.4Very high96.7Very high17 Ų1751.7 Ų51.714%0.1427%0.273CS..Hα-helixtrans-58.7-44.4176.300000111.4V181 V182 S189 L190 L192V181-A185 WeakPolarHBondContact O-CB 3.47Å; V181-A185 PolarHBondContact O-N 3.28Å; V182-A185 PolarHBondContact O-N 3.47Å; A185-S189 CarbonylContact O-C 3.44Å; A185-S189 WeakPolarHBondContact O-CA 3.41Å; A185-S189 PolarHBondContact O-N 3.23Å; A185-S189 VanDerWaalsContact O-N 3.09Å; A185-L190 PolarHBondContact O-N 3.27Å; A185-L192 HydrophobicContact CB-CB 4.14Å; A185-L192 HydrophobicContact CB-CD2 4.15Å
186S97Very high96.6Very high93 Ų9353.1 Ų53.165%0.6527%0.272SS*.Hα-helixtrans-63.5-47.1174.5-171.60000112.4V182 K183 S184 Y188 S189V182-S186 PolarHBondContact O-N 2.9Å; K183-S186 PolarHBondContact O-N 2.86Å; S184-S186 VanDerWaalsContact C-N 3.3Å; S184-S186 PolarHBondContact O-N 3.32Å; S186-Y188 VanDerWaalsContact C-N 3.29Å; S186-Y188 PolarHBondContact O-N 2.94Å; S186-S189 PolarHBondContact O-N 2.96Å; S186-S189 VanDerWaalsContact O-N 3.11Å
187R96.6Very high96.4Very high82 Ų8249.9 Ų49.931%0.30926%0.259SS..Hα-helixtrans-62-35.2-176-177.8178.6-73100.3-2113V86 K183 S184V86-R187 HydrophobicContact CB-CG 4.35Å; V86-R187 HydrophobicContact CG2-CG 3.81Å; K183-R187 VanDerWaalsContact O-CB 3.23Å; K183-R187 WeakPolarHBondContact O-CB 3.31Å; K183-R187 PolarHBondContact O-N 3.45Å; S184-R187 PolarHBondContact O-N 3.35Å
188Y97.3Very high96.3Very high5 Ų554.2 Ų54.22%0.0228%0.278CS..THydrogen-bonded Turntrans-94.7-0.4177.9-73.3-92.7000113.4V86 L144 H145 R148 C160 S184 S186 L190V86-Y188 HydrophobicContact CB-CE1 4.38Å; V86-Y188 HydrophobicContact CG1-CD1 3.72Å; V86-Y188 HydrophobicContact CG1-CE1 3.87Å; V86-Y188 HydrophobicContact CG1-CG 4.22Å; V86-Y188 HydrophobicContact CG2-CD1 4.13Å; V86-Y188 HydrophobicContact CG2-CD2 4.26Å; V86-Y188 HydrophobicContact CG2-CE1 3.6Å; V86-Y188 HydrophobicContact CG2-CE2 3.78Å; V86-Y188 HydrophobicContact CG2-CG 4.44Å; V86-Y188 VanDerWaalsContact CG2-CZ 3.42Å; L144-Y188 HydrophobicContact CD1-CD1 4.25Å; L144-Y188 HydrophobicContact CD1-CG 4.32Å; L144-Y188 HydrophobicContact CD2-CD1 4.24Å; L144-Y188 HydrophobicContact CD2-CD2 3.57Å; L144-Y188 HydrophobicContact CD2-CE1 4.46Å; L144-Y188 HydrophobicContact CD2-CE2 3.82Å; L144-Y188 HydrophobicContact CD2-CG 3.79Å; L144-Y188 HydrophobicContact CG-CD1 3.89Å; L144-Y188 HydrophobicContact CG-CD2 4.12Å; L144-Y188 HydrophobicContact CG-CE1 3.99Å; L144-Y188 HydrophobicContact CG-CE2 4.2Å; L144-Y188 HydrophobicContact CG-CG 3.95Å; H145-Y188 HydrophobicContact CB-CE1 4.47Å; H145-Y188 AromaticContact ND1-CE1 3.8Å; H145-Y188 AromaticContact ND1-CZ 3.74Å; H145-Y188 PolarHBondContact ND1-OH 2.83Å; R148-Y188 HydrophobicContact CB-CD1 3.84Å; R148-Y188 HydrophobicContact CB-CE1 3.83Å; R148-Y188 HydrophobicContact CG-CD1 3.97Å; R148-Y188 HydrophobicContact CG-CE1 4.09Å; C160-Y188 WeakPolarHBondContact CB-O 3.32Å; C160-Y188 PolarHBondContact N-O 3.01Å; S184-Y188 WeakPolarHBondContact O-CD2 3.31Å; S184-Y188 PolarHBondContact O-N 2.96Å; S186-Y188 VanDerWaalsContact C-N 3.29Å; S186-Y188 PolarHBondContact O-N 2.94Å; Y188-L190 PolarHBondContact O-N 2.81Å
189S97.1Very high96.3Very high65 Ų6555.9 Ų55.946%0.45529%0.288SS..THydrogen-bonded Turntrans43.844.7-163.9-41.40000112.4C160 S161 A185 S186C160-S189 CarbonylContact C-O 3.58Å; S161-S189 WeakPolarHBondContact CA-O 3.44Å; S161-S189 PolarHBondContact N-O 2.92Å; S161-S189 VanDerWaalsContact N-O 3.13Å; A185-S189 CarbonylContact O-C 3.44Å; A185-S189 WeakPolarHBondContact O-CA 3.41Å; A185-S189 PolarHBondContact O-N 3.23Å; A185-S189 VanDerWaalsContact O-N 3.09Å; S186-S189 PolarHBondContact O-N 2.96Å; S186-S189 VanDerWaalsContact O-N 3.11Å
190L96.5Very high96.2Very high12 Ų1255.6 Ų55.66%0.06328%0.283CS..  trans-80.7127.8-175-18068000110.3F134 L144 C160 L163 A165 A185 Y188 L192F134-L190 HydrophobicContact CD1-CD2 4.45Å; F134-L190 HydrophobicContact CG-CD2 4.49Å; L144-L190 HydrophobicContact CD1-CD1 4.18Å; L144-L190 HydrophobicContact CD1-CD2 4.13Å; L144-L190 HydrophobicContact CD2-CD2 4.18Å; C160-L190 HydrophobicContact CB-CB 4.42Å; C160-L190 HydrophobicContact CB-CD1 3.91Å; L163-L190 HydrophobicContact CB-CD1 4.28Å; L163-L190 HydrophobicContact CD2-CD1 4.1Å; L163-L190 HydrophobicContact CG-CD1 4.27Å; A165-L190 HydrophobicContact CB-CD1 3.65Å; A165-L190 HydrophobicContact CB-CD2 3.54Å; A165-L190 HydrophobicContact CB-CG 3.68Å; A185-L190 PolarHBondContact O-N 3.27Å; Y188-L190 PolarHBondContact O-N 2.81Å; L190-L192 HydrophobicContact CD2-CD1 4.33Å; L190-L192 PolarHBondContact O-N 2.79Å
191K94.6Very high96.2Very high130 Ų13061 Ų6157%0.56531%0.307SS*.EExtended strand (participates in β ladder)trans-7391.8169.7-175177.7-179.2171.70109.6A165A165-K191 PolarHBondContact N-O 3.08Å
192L97.6Very high96.2Very high31 Ų3161 Ų6116%0.16231%0.307CS..EExtended strand (participates in β ladder)trans-96.5118.8-177.8-170.468.7000111.7F134 A165 V181 A185 L190F134-L192 HydrophobicContact CB-CD1 4.3Å; F134-L192 HydrophobicContact CD1-CD1 4.33Å; A165-L192 HydrophobicContact CB-CD1 3.7Å; V181-L192 HydrophobicContact CG1-CD2 3.36Å; A185-L192 HydrophobicContact CB-CB 4.14Å; A185-L192 HydrophobicContact CB-CD2 4.15Å; L190-L192 HydrophobicContact CD2-CD1 4.33Å; L190-L192 PolarHBondContact O-N 2.79Å
193L97.4Very high96.2Very high37 Ų3757.9 Ų57.919%0.19429%0.287CS..EExtended strand (participates in β ladder)trans-94.5130173.6-55.8176.1000109.6A165 F166 Y167 Y195 F206 H210A165-L193 PolarHBondContact O-N 3.16Å; F166-L193 CarbonylContact C-O 3.54Å; F166-L193 WeakPolarHBondContact CA-O 3.48Å; F166-L193 HydrophobicContact CB-CB 4.36Å; Y167-L193 PolarHBondContact N-O 2.83Å; L193-Y195 HydrophobicContact CB-CE2 4.03Å; L193-F206 HydrophobicContact CD1-CD2 4.5Å; L193-F206 HydrophobicContact CD1-CE2 4Å; L193-H210 VanDerWaalsContact CD1-NE2 3.29Å; L193-H210 WeakPolarHBondContact CD1-NE2 3.44Å
194Q96.7Very high96.3Very high112 Ų11259.8 Ų59.852%0.52330%0.295SS..EExtended strand (participates in β ladder)trans-106.3134.1-177.7-60.5-172.515.900110.8Y167Y167-Q194 HydrophobicContact CD1-CG 4.34Å; Y167-Q194 WeakPolarHBondContact O-CA 3.24Å
195Y96.8Very high96.3Very high30 Ų3063.6 Ų63.612%0.11831%0.313CS..EExtended strand (participates in β ladder)trans-127.6156171.8-65.9-99.2000107.9Y167 I168 K169 L193 A202 E205 F206 H210Y167-Y195 PolarHBondContact O-N 2.89Å; I168-Y195 CarbonylContact C-O 3.58Å; I168-Y195 WeakPolarHBondContact CA-O 3.4Å; K169-Y195 PolarHBondContact N-O 3.15Å; L193-Y195 HydrophobicContact CB-CE2 4.03Å; Y195-A202 HydrophobicContact CG-CB 4.48Å; Y195-E205 HydrophobicContact CD1-CB 4.17Å; Y195-E205 HydrophobicContact CE1-CB 3.99Å; Y195-F206 HydrophobicContact CE1-CB 4.09Å; Y195-F206 HydrophobicContact CE2-CB 4Å; Y195-F206 AromaticContact CE2-CD2 3.63Å; Y195-F206 HydrophobicContact CE2-CD2 3.63Å; Y195-F206 HydrophobicContact CE2-CG 4.28Å; Y195-F206 AromaticContact CZ-CD2 3.85Å; Y195-F206 WeakPolarHBondContact OH-CA 3.33Å; Y195-H210 PolarHBondContact OH-CD2 3.48Å; Y195-H210 PolarHBondContact OH-NE2 3.27Å
196E93.6Very high96.3Very high116 Ų11662.9 Ų62.954%0.54231%0.307SS..EExtended strand (participates in β ladder)trans-123.1144.5-177.5-61.7-169.1163.400111.9K169 W171K169-E196 HydrophobicContact CB-CG 4.38Å; K169-E196 WeakPolarHBondContact O-CA 3.47Å; W171-E196 HydrophobicContact CH2-CB 4.47Å; W171-E196 HydrophobicContact CZ3-CB 4.08Å
197G92.1Very high96.3Very high7 Ų760.6 Ų60.67%0.07229%0.285CS..SBendtrans96.5-137.4168.500000115.2K169K169-G197 PolarHBondContact O-N 3.16Å
198E93.7Very high96.4Very high99 Ų9960.4 Ų60.446%0.46330%0.301SS..  trans-70.5131-171.1-166.3-78.3124.700111.1K200 K201 A202E198-K200 VanDerWaalsContact CD-N 3.29Å; E198-K200 PolarHBondContact O-N 3.4Å; E198-K200 WeakPolarHBondContact OE1-CB 3.42Å; E198-K200 PolarHBondContact OE1-N 3.37Å; E198-K200 WeakPolarHBondContact OE2-CB 3.36Å; E198-K200 PolarHBondContact OE2-N 2.94Å; E198-K201 HydrophobicContact CB-CB 4.42Å; E198-K201 PolarHBondContact O-N 3.32Å; E198-K201 WeakPolarHBondContact OE2-CB 3.36Å; E198-K201 PolarHBondContact OE2-N 3.35Å; E198-A202 WeakPolarHBondContact O-CB 3.5Å; E198-A202 PolarHBondContact O-N 3.49Å
199I93.9Very high96.3Very high98 Ų9865 Ų6550%0.50333%0.329SS..Hα-helixtrans-60.3-46.4-168.5-60.3176.2000111.6I168 A202 L203 W240I168-I199 HydrophobicContact CD1-CG2 4.03Å; I168-I199 HydrophobicContact CG2-CG1 4.5Å; I199-A202 PolarHBondContact O-N 3.39Å; I199-L203 HydrophobicContact CG2-CD1 3.95Å; I199-L203 HydrophobicContact CG2-CG 4.37Å; I199-L203 WeakPolarHBondContact O-CB 3.44Å; I199-L203 VanDerWaalsContact O-CG 3.25Å; I199-L203 WeakPolarHBondContact O-CG 3.43Å; I199-L203 PolarHBondContact O-N 2.83Å; I199-W240 HydrophobicContact CG2-CH2 4.44Å; I199-W240 HydrophobicContact CG2-CZ3 4.04Å
200K96.2Very high96.3Very high70 Ų7064.1 Ų64.130%0.30432%0.318SS..Hα-helixtrans-64.8-45.7-177.3-174.2177.6-179.5171.80111.2E198 L203 F204 G239 W240E198-K200 VanDerWaalsContact CD-N 3.29Å; E198-K200 PolarHBondContact O-N 3.4Å; E198-K200 WeakPolarHBondContact OE1-CB 3.42Å; E198-K200 PolarHBondContact OE1-N 3.37Å; E198-K200 WeakPolarHBondContact OE2-CB 3.36Å; E198-K200 PolarHBondContact OE2-N 2.94Å; K200-L203 PolarHBondContact O-N 3.07Å; K200-F204 HydrophobicContact CD-CE2 4.48Å; K200-F204 HydrophobicContact CG-CD2 4.11Å; K200-F204 HydrophobicContact CG-CE2 3.82Å; K200-F204 WeakPolarHBondContact O-CD2 3.35Å; K200-F204 PolarHBondContact O-N 2.86Å; K200-G239 WeakPolarHBondContact CE-O 3.42Å; K200-G239 PolarHBondContact NZ-O 3.09Å; K200-G239 VanDerWaalsContact NZ-O 3.1Å; K200-W240 HydrophobicContact CB-CD2 4.48Å; K200-W240 HydrophobicContact CB-CE3 3.93Å; K200-W240 HydrophobicContact CB-CH2 3.95Å; K200-W240 HydrophobicContact CB-CZ3 3.63Å; K200-W240 HydrophobicContact CD-CD2 4.31Å; K200-W240 HydrophobicContact CG-CD2 4.09Å; K200-W240 HydrophobicContact CG-CE3 3.87Å; K200-W240 HydrophobicContact CG-CZ3 4.1Å
201K97Very high96.3Very high128 Ų12867.7 Ų67.756%0.55734%0.344SS*.Hα-helixtrans-60-50.2175-175-176.7175.4-166.70111.6E198 L203 F204 E205E198-K201 HydrophobicContact CB-CB 4.42Å; E198-K201 PolarHBondContact O-N 3.32Å; E198-K201 WeakPolarHBondContact OE2-CB 3.36Å; E198-K201 PolarHBondContact OE2-N 3.35Å; K201-L203 VanDerWaalsContact C-N 3.27Å; K201-L203 PolarHBondContact O-N 2.88Å; K201-F204 WeakPolarHBondContact O-CB 3.35Å; K201-F204 PolarHBondContact O-N 3.44Å; K201-E205 WeakPolarHBondContact CE-OE1 3.3Å; K201-E205 IonicContact NZ-OE1 2.69Å; K201-E205 PolarHBondContact O-N 3.44Å
202A97.3Very high96.4Very high1 Ų168.2 Ų68.21%0.00834%0.342CS..Hα-helixtrans-59.5-38.1178.100000112.1I168 Y195 E198 I199 E205 F206I168-A202 HydrophobicContact CB-CB 4.44Å; I168-A202 HydrophobicContact CD1-CB 3.89Å; I168-A202 HydrophobicContact CG1-CB 3.91Å; I168-A202 HydrophobicContact CG2-CB 3.68Å; Y195-A202 HydrophobicContact CG-CB 4.48Å; E198-A202 WeakPolarHBondContact O-CB 3.5Å; E198-A202 PolarHBondContact O-N 3.49Å; I199-A202 PolarHBondContact O-N 3.39Å; A202-E205 PolarHBondContact O-N 3.07Å; A202-F206 WeakPolarHBondContact O-CB 3.37Å; A202-F206 PolarHBondContact O-N 3.02Å
203L97.6Very high96.4Very high20 Ų2068.8 Ų68.811%0.10534%0.343CS..Hα-helixtrans-68.5-34.6174.8-72.9174.1000113F166 I168 I199 K200 K201 K207 W240 P241 F243F166-L203 HydrophobicContact CE2-CD2 3.7Å; F166-L203 HydrophobicContact CZ-CD2 3.74Å; I168-L203 HydrophobicContact CD1-CD2 3.9Å; I168-L203 HydrophobicContact CD1-CG 3.82Å; I199-L203 HydrophobicContact CG2-CD1 3.95Å; I199-L203 HydrophobicContact CG2-CG 4.37Å; I199-L203 WeakPolarHBondContact O-CB 3.44Å; I199-L203 VanDerWaalsContact O-CG 3.25Å; I199-L203 WeakPolarHBondContact O-CG 3.43Å; I199-L203 PolarHBondContact O-N 2.83Å; K200-L203 PolarHBondContact O-N 3.07Å; K201-L203 VanDerWaalsContact C-N 3.27Å; K201-L203 PolarHBondContact O-N 2.88Å; L203-K207 VanDerWaalsContact O-CB 3.31Å; L203-K207 WeakPolarHBondContact O-CB 3.25Å; L203-K207 PolarHBondContact O-N 3.45Å; L203-W240 HydrophobicContact CD1-CE3 3.94Å; L203-W240 HydrophobicContact CD1-CZ3 3.89Å; L203-P241 HydrophobicContact CB-CG 3.5Å; L203-F243 HydrophobicContact CD2-CE2 4.45Å
204F97.9Very high96.4Very high100 Ų10071.6 Ų71.644%0.43935%0.353SS..Hα-helixtrans-64.8-44.9173-86.1-67.4000111.3K200 K201 K207 A208 G239 P241K200-F204 HydrophobicContact CD-CE2 4.48Å; K200-F204 HydrophobicContact CG-CD2 4.11Å; K200-F204 HydrophobicContact CG-CE2 3.82Å; K200-F204 WeakPolarHBondContact O-CD2 3.35Å; K200-F204 PolarHBondContact O-N 2.86Å; K201-F204 WeakPolarHBondContact O-CB 3.35Å; K201-F204 PolarHBondContact O-N 3.44Å; F204-K207 PolarHBondContact O-N 3.5Å; F204-A208 WeakPolarHBondContact O-CB 3.19Å; F204-A208 PolarHBondContact O-N 3.48Å; F204-G239 WeakPolarHBondContact CZ-O 3.47Å; F204-P241 HydrophobicContact CD1-CB 3.81Å; F204-P241 HydrophobicContact CD1-CG 4.27Å; F204-P241 HydrophobicContact CD2-CG 4.49Å; F204-P241 HydrophobicContact CE1-CB 3.94Å; F204-P241 HydrophobicContact CE1-CG 4.46Å; F204-P241 HydrophobicContact CG-CB 4.28Å; F204-P241 HydrophobicContact CG-CG 4.27Å
205E97.8Very high96.5Very high83 Ų8368.3 Ų68.339%0.38834%0.336SS..Hα-helixtrans-60.5-48.7175.1-69174.3-172.700111Y195 K201 A202 K207 A208 V209Y195-E205 HydrophobicContact CD1-CB 4.17Å; Y195-E205 HydrophobicContact CE1-CB 3.99Å; K201-E205 WeakPolarHBondContact CE-OE1 3.3Å; K201-E205 IonicContact NZ-OE1 2.69Å; K201-E205 PolarHBondContact O-N 3.44Å; A202-E205 PolarHBondContact O-N 3.07Å; E205-K207 VanDerWaalsContact C-N 3.32Å; E205-K207 PolarHBondContact O-N 3.47Å; E205-A208 PolarHBondContact O-N 3.23Å; E205-A208 VanDerWaalsContact O-N 3.16Å; E205-V209 WeakPolarHBondContact O-CG2 3.22Å; E205-V209 PolarHBondContact O-N 3.5Å
206F97.9Very high96.6Very high1 Ų167.1 Ų67.10%0.00433%0.332CS..Hα-helixtrans-57-44.5175.3174.4-99.9000112.1A131 F166 L193 Y195 A202 A208 V209 H210 R213 F243A131-F206 HydrophobicContact CB-CE1 4.32Å; A131-F206 HydrophobicContact CB-CZ 3.89Å; F166-F206 HydrophobicContact CB-CD2 4.11Å; F166-F206 HydrophobicContact CB-CE2 4Å; F166-F206 HydrophobicContact CD1-CD1 4.35Å; F166-F206 HydrophobicContact CD1-CD2 4.33Å; F166-F206 AromaticContact CD1-CE1 3.92Å; F166-F206 HydrophobicContact CD1-CE1 3.92Å; F166-F206 AromaticContact CD1-CE2 3.89Å; F166-F206 HydrophobicContact CD1-CE2 3.89Å; F166-F206 AromaticContact CD1-CZ 3.66Å; F166-F206 HydrophobicContact CD1-CZ 3.66Å; F166-F206 HydrophobicContact CE1-CD1 4.5Å; F166-F206 HydrophobicContact CE1-CE1 4.07Å; F166-F206 HydrophobicContact CE1-CZ 4.23Å; F166-F206 HydrophobicContact CG-CD2 4.32Å; F166-F206 HydrophobicContact CG-CE2 4.21Å; F166-F206 HydrophobicContact CG-CZ 4.41Å; L193-F206 HydrophobicContact CD1-CD2 4.5Å; L193-F206 HydrophobicContact CD1-CE2 4Å; Y195-F206 HydrophobicContact CE1-CB 4.09Å; Y195-F206 HydrophobicContact CE2-CB 4Å; Y195-F206 AromaticContact CE2-CD2 3.63Å; Y195-F206 HydrophobicContact CE2-CD2 3.63Å; Y195-F206 HydrophobicContact CE2-CG 4.28Å; Y195-F206 AromaticContact CZ-CD2 3.85Å; Y195-F206 WeakPolarHBondContact OH-CA 3.33Å; A202-F206 WeakPolarHBondContact O-CB 3.37Å; A202-F206 PolarHBondContact O-N 3.02Å; F206-A208 VanDerWaalsContact C-N 3.35Å; F206-A208 PolarHBondContact O-N 2.82Å; F206-V209 PolarHBondContact O-N 3.4Å; F206-H210 HydrophobicContact CD2-CB 4.47Å; F206-H210 AromaticContact CD2-CD2 3.42Å; F206-H210 VanDerWaalsContact CD2-CD2 3.42Å; F206-H210 WeakPolarHBondContact CD2-CD2 3.26Å; F206-H210 HydrophobicContact CE2-CB 4.14Å; F206-H210 AromaticContact CE2-CD2 3.53Å; F206-H210 AromaticContact CE2-CG 3.99Å; F206-H210 HydrophobicContact CZ-CB 4.22Å; F206-H210 WeakPolarHBondContact O-CA 3.13Å; F206-H210 WeakPolarHBondContact O-CB 3.47Å; F206-H210 PolarHBondContact O-CD2 2.89Å; F206-H210 PolarHBondContact O-N 2.87Å; F206-R213 HydrophobicContact CE1-CB 4.15Å; F206-R213 HydrophobicContact CE1-CG 4.31Å; F206-R213 HydrophobicContact CZ-CB 4.27Å; F206-R213 HydrophobicContact CZ-CG 3.95Å; F206-F243 HydrophobicContact CD1-CE1 4.3Å; F206-F243 AromaticContact CD1-CZ 3.74Å; F206-F243 HydrophobicContact CD1-CZ 3.74Å; F206-F243 HydrophobicContact CE1-CE1 4.08Å; F206-F243 AromaticContact CE1-CZ 3.98Å; F206-F243 HydrophobicContact CE1-CZ 3.98Å
207K97.3Very high96.8Very high45 Ų4561.6 Ų61.620%0.19631%0.306CS..Hα-helixtrans-64.6-38.9178-174.369.9-173.4-165.60112.1L203 F204 E205 H210 S211 R213 P241 H242 F243L203-K207 VanDerWaalsContact O-CB 3.31Å; L203-K207 WeakPolarHBondContact O-CB 3.25Å; L203-K207 PolarHBondContact O-N 3.45Å; F204-K207 PolarHBondContact O-N 3.5Å; E205-K207 VanDerWaalsContact C-N 3.32Å; E205-K207 PolarHBondContact O-N 3.47Å; K207-H210 CarbonylContact O-C 3.47Å; K207-S211 WeakPolarHBondContact O-CA 3.19Å; K207-S211 PolarHBondContact O-N 2.93Å; K207-R213 PolarHBondContact NZ-O 2.62Å; K207-P241 HydrophobicContact CB-CB 4.02Å; K207-P241 HydrophobicContact CG-CB 4.27Å; K207-H242 PolarHBondContact NZ-O 3.42Å; K207-F243 HydrophobicContact CB-CE2 4.29Å; K207-F243 HydrophobicContact CB-CZ 3.79Å; K207-F243 HydrophobicContact CD-CD1 4.3Å; K207-F243 HydrophobicContact CD-CE1 3.5Å; K207-F243 VanDerWaalsContact CD-CE1 3.5Å; K207-F243 HydrophobicContact CD-CE2 4.17Å; K207-F243 HydrophobicContact CD-CZ 3.42Å; K207-F243 VanDerWaalsContact CD-CZ 3.42Å; K207-F243 HydrophobicContact CG-CZ 4.14Å
208A97.3Very high97.1Very high78 Ų7863 Ų6365%0.64531%0.312SS*.Hα-helixtrans-64.9-45.1179.200000111.5F204 E205 F206F204-A208 WeakPolarHBondContact O-CB 3.19Å; F204-A208 PolarHBondContact O-N 3.48Å; E205-A208 PolarHBondContact O-N 3.23Å; E205-A208 VanDerWaalsContact O-N 3.16Å; F206-A208 VanDerWaalsContact C-N 3.35Å; F206-A208 PolarHBondContact O-N 2.82Å
209V97.1Very high97.2Very high101 Ų10159.2 Ų59.261%0.61230%0.299SS*.Hα-helixtrans-76.1-35.3-179.8-178.10000111.9E205 F206E205-V209 WeakPolarHBondContact O-CG2 3.22Å; E205-V209 PolarHBondContact O-N 3.5Å; F206-V209 PolarHBondContact O-N 3.4Å
210H96.4Very high97.3Very high48 Ų4855 Ų5522%0.22228%0.278CS..THydrogen-bonded Turntrans-118.750.6-175.1-53.2-68.6000112.1L193 Y195 F206 K207 R212 R213L193-H210 VanDerWaalsContact CD1-NE2 3.29Å; L193-H210 WeakPolarHBondContact CD1-NE2 3.44Å; Y195-H210 PolarHBondContact OH-CD2 3.48Å; Y195-H210 PolarHBondContact OH-NE2 3.27Å; F206-H210 HydrophobicContact CD2-CB 4.47Å; F206-H210 AromaticContact CD2-CD2 3.42Å; F206-H210 VanDerWaalsContact CD2-CD2 3.42Å; F206-H210 WeakPolarHBondContact CD2-CD2 3.26Å; F206-H210 HydrophobicContact CE2-CB 4.14Å; F206-H210 AromaticContact CE2-CD2 3.53Å; F206-H210 AromaticContact CE2-CG 3.99Å; F206-H210 HydrophobicContact CZ-CB 4.22Å; F206-H210 WeakPolarHBondContact O-CA 3.13Å; F206-H210 WeakPolarHBondContact O-CB 3.47Å; F206-H210 PolarHBondContact O-CD2 2.89Å; F206-H210 PolarHBondContact O-N 2.87Å; K207-H210 CarbonylContact O-C 3.47Å; H210-R212 PolarHBondContact O-N 3.34Å; H210-R213 HydrophobicContact CB-CG 3.76Å; H210-R213 WeakPolarHBondContact O-CB 3.33Å; H210-R213 WeakPolarHBondContact O-CG 3.32Å; H210-R213 PolarHBondContact O-N 3.24Å
211S95.6Very high97.3Very high86 Ų8651.7 Ų51.760%0.60126%0.264SS*.THydrogen-bonded Turntrans-54.8-26.1-175.562.30000114.9K207 R213K207-S211 WeakPolarHBondContact O-CA 3.19Å; K207-S211 PolarHBondContact O-N 2.93Å; S211-R213 PolarHBondContact O-N 3.35Å
212R96.5Very high97.1Very high141 Ų14147.3 Ų47.353%0.53225%0.252SS..THydrogen-bonded Turntrans-66.1-22.1174.8-167.1174.1-177.7168.6-0.8113.4E129 H210 K214E129-R212 WeakPolarHBondContact CA-O 3.45Å; E129-R212 HydrophobicContact CG-CG 4.33Å; H210-R212 PolarHBondContact O-N 3.34Å; R212-K214 PolarHBondContact O-N 2.96Å
213R97.2Very high96.8Very high44 Ų4451.9 Ų51.917%0.16628%0.28CS..  trans-74.3120.4179.2-54.1-62.4173.7-176.9-9109.5I127 A128 E129 I130 A131 F206 K207 H210 S211 F243I127-R213 PolarHBondContact O-NH1 3.37Å; A128-R213 VanDerWaalsContact O-CZ 3.29Å; A128-R213 PolarHBondContact O-NH1 3.32Å; E129-R213 WeakPolarHBondContact O-CA 3.48Å; I130-R213 WeakPolarHBondContact O-CD 3.25Å; I130-R213 PolarHBondContact O-NH1 3.09Å; A131-R213 HydrophobicContact CB-CB 4.48Å; A131-R213 HydrophobicContact CB-CG 4.46Å; F206-R213 HydrophobicContact CE1-CB 4.15Å; F206-R213 HydrophobicContact CE1-CG 4.31Å; F206-R213 HydrophobicContact CZ-CB 4.27Å; F206-R213 HydrophobicContact CZ-CG 3.95Å; K207-R213 PolarHBondContact NZ-O 2.62Å; H210-R213 HydrophobicContact CB-CG 3.76Å; H210-R213 WeakPolarHBondContact O-CB 3.33Å; H210-R213 WeakPolarHBondContact O-CG 3.32Å; H210-R213 PolarHBondContact O-N 3.24Å; S211-R213 PolarHBondContact O-N 3.35Å; R213-F243 HydrophobicContact CB-CE1 4.36Å; R213-F243 WeakPolarHBondContact O-CE1 3.02Å
214K98.1Very high96.4Very high95 Ų9551.5 Ų51.541%0.41328%0.278SS..  trans-117.3-36.9-176.7-65.7175-177.4168.80111.8E129 R212 F243 V244E129-K214 HydrophobicContact CG-CD 4.48Å; E129-K214 PolarHBondContact O-N 2.98Å; E129-K214 WeakPolarHBondContact OE1-CE 3.27Å; E129-K214 IonicContact OE1-NZ 2.73Å; E129-K214 PolarHBondContact OE1-NZ 2.8Å; R212-K214 PolarHBondContact O-N 2.96Å; K214-F243 WeakPolarHBondContact O-CA 3.19Å; K214-V244 PolarHBondContact O-N 3.01Å
215Y98.7Very high95.8Very high44 Ų4450.8 Ų50.817%0.17328%0.283CS..EExtended strand (participates in β ladder)trans-111.4131.4-174.8-55.2-82.2000110.1Y125 E129 I130 A131 V244Y125-Y215 HydrophobicContact CD1-CD1 4.38Å; Y125-Y215 HydrophobicContact CD1-CD2 4.01Å; Y125-Y215 AromaticContact CD1-CE1 3.83Å; Y125-Y215 HydrophobicContact CD1-CE1 3.83Å; Y125-Y215 AromaticContact CD1-CE2 3.37Å; Y125-Y215 HydrophobicContact CD1-CE2 3.37Å; Y125-Y215 HydrophobicContact CD1-CG 4.48Å; Y125-Y215 AromaticContact CD1-CZ 3.28Å; Y125-Y215 WeakPolarHBondContact CD1-OH 3.38Å; Y125-Y215 AromaticContact CD2-CD1 4Å; Y125-Y215 HydrophobicContact CD2-CD1 4Å; Y125-Y215 HydrophobicContact CD2-CD2 4.13Å; Y125-Y215 HydrophobicContact CD2-CE1 4.19Å; Y125-Y215 HydrophobicContact CD2-CE2 4.3Å; Y125-Y215 AromaticContact CD2-CG 3.99Å; Y125-Y215 HydrophobicContact CD2-CG 3.99Å; Y125-Y215 HydrophobicContact CE1-CD1 4.24Å; Y125-Y215 AromaticContact CE1-CE1 3.47Å; Y125-Y215 HydrophobicContact CE1-CE1 3.47Å; Y125-Y215 VanDerWaalsContact CE1-CE1 3.47Å; Y125-Y215 AromaticContact CE1-CE2 3.9Å; Y125-Y215 HydrophobicContact CE1-CE2 3.9Å; Y125-Y215 AromaticContact CE1-CZ 3.26Å; Y125-Y215 VanDerWaalsContact CE1-OH 3.27Å; Y125-Y215 WeakPolarHBondContact CE1-OH 3.46Å; Y125-Y215 AromaticContact CE2-CD1 3.84Å; Y125-Y215 HydrophobicContact CE2-CD1 3.84Å; Y125-Y215 AromaticContact CE2-CE1 3.87Å; Y125-Y215 HydrophobicContact CE2-CE1 3.87Å; Y125-Y215 HydrophobicContact CE2-CG 4.32Å; Y125-Y215 HydrophobicContact CG-CD1 4.27Å; Y125-Y215 AromaticContact CG-CD2 3.73Å; Y125-Y215 HydrophobicContact CG-CD2 3.73Å; Y125-Y215 HydrophobicContact CG-CE1 4.17Å; Y125-Y215 AromaticContact CG-CE2 3.61Å; Y125-Y215 HydrophobicContact CG-CE2 3.61Å; Y125-Y215 HydrophobicContact CG-CG 4.08Å; Y125-Y215 AromaticContact CG-CZ 3.85Å; Y125-Y215 AromaticContact CZ-CD1 3.97Å; Y125-Y215 AromaticContact CZ-CE1 3.48Å; Y125-Y215 VanDerWaalsContact CZ-CE1 3.48Å; Y125-Y215 AromaticContact CZ-CZ 3.82Å; E129-Y215 HydrophobicContact CB-CD2 4.23Å; E129-Y215 PolarHBondContact O-N 3.04Å; I130-Y215 CarbonylContact C-O 3.51Å; I130-Y215 WeakPolarHBondContact CA-O 3.35Å; A131-Y215 PolarHBondContact N-O 2.87Å; Y215-V244 CarbonylContact C-O 3.54Å; Y215-V244 VanDerWaalsContact CA-O 3.28Å; Y215-V244 WeakPolarHBondContact CA-O 3.11Å; Y215-V244 HydrophobicContact CD1-CB 3.6Å; Y215-V244 HydrophobicContact CD1-CG1 3.8Å; Y215-V244 HydrophobicContact CD1-CG2 4.27Å; Y215-V244 HydrophobicContact CE1-CB 3.88Å; Y215-V244 HydrophobicContact CE1-CG1 4.03Å; Y215-V244 HydrophobicContact CE1-CG2 4.05Å
216V98.6Very high95.1Very high4 Ų450.4 Ų50.42%0.02430%0.301CS..EExtended strand (participates in β ladder)trans-123.6115.7-179.2-178.70000109.6A131 F166 L218 F243 V244 L245 L246A131-V216 HydrophobicContact CB-CG2 4.46Å; A131-V216 CarbonylContact O-C 3.48Å; A131-V216 WeakPolarHBondContact O-CA 3.32Å; F166-V216 HydrophobicContact CE1-CG1 3.83Å; F166-V216 HydrophobicContact CE1-CG2 4.46Å; F166-V216 HydrophobicContact CZ-CG1 3.89Å; V216-L218 HydrophobicContact CG1-CD2 3.79Å; V216-L218 HydrophobicContact CG1-CG 4.36Å; V216-F243 HydrophobicContact CG2-CB 3.9Å; V216-F243 HydrophobicContact CG2-CD1 3.53Å; V216-F243 HydrophobicContact CG2-CD2 4.39Å; V216-F243 HydrophobicContact CG2-CE1 4.1Å; V216-F243 HydrophobicContact CG2-CG 3.69Å; V216-V244 PolarHBondContact N-O 3.3Å; V216-L245 HydrophobicContact CB-CD2 4.16Å; V216-L245 WeakPolarHBondContact O-CA 3.14Å; V216-L246 PolarHBondContact O-N 2.87Å
217F98.8Very high94.4Very high0 Ų052 Ų520%031%0.309CS..EExtended strand (participates in β ladder)trans-71.8130.4169.6-83.2-69000110.9F117 V118 C121 I130 A131 L132 S133 L143 L147 L246 P248F117-F217 HydrophobicContact CD1-CE1 4.5Å; F117-F217 HydrophobicContact CE1-CE1 4.23Å; V118-F217 HydrophobicContact CG1-CZ 4.47Å; V118-F217 HydrophobicContact CG2-CE1 4.04Å; V118-F217 HydrophobicContact CG2-CZ 4.49Å; C121-F217 HydrophobicContact CB-CE1 4.34Å; C121-F217 HydrophobicContact CB-CZ 3.63Å; I130-F217 HydrophobicContact CD1-CE2 4.49Å; I130-F217 HydrophobicContact CG2-CD2 3.6Å; I130-F217 HydrophobicContact CG2-CE2 3.73Å; A131-F217 PolarHBondContact O-N 2.6Å; L132-F217 HydrophobicContact CD1-CB 3.91Å; S133-F217 PolarHBondContact N-O 3.41Å; L143-F217 HydrophobicContact CD1-CD1 4.37Å; L143-F217 HydrophobicContact CD2-CB 4.03Å; L147-F217 HydrophobicContact CD1-CB 4.3Å; L147-F217 HydrophobicContact CD1-CD2 4.25Å; L147-F217 HydrophobicContact CD1-CG 4.27Å; L147-F217 HydrophobicContact CD2-CD2 3.9Å; L147-F217 HydrophobicContact CD2-CE2 3.74Å; L147-F217 HydrophobicContact CD2-CG 4.44Å; L147-F217 HydrophobicContact CD2-CZ 4.15Å; F217-L246 WeakPolarHBondContact CA-O 3.08Å; F217-L246 HydrophobicContact CD1-CB 3.61Å; F217-L246 HydrophobicContact CD1-CD1 4.19Å; F217-L246 HydrophobicContact CD2-CD1 4.28Å; F217-L246 HydrophobicContact CE1-CB 3.79Å; F217-L246 HydrophobicContact CE1-CD1 3.86Å; F217-L246 HydrophobicContact CE1-CG 4.5Å; F217-L246 HydrophobicContact CE2-CD1 3.95Å; F217-L246 HydrophobicContact CG-CB 4.21Å; F217-L246 HydrophobicContact CG-CD1 4.4Å; F217-L246 HydrophobicContact CZ-CD1 3.74Å; F217-P248 HydrophobicContact CD1-CG 4.16Å; F217-P248 HydrophobicContact CE1-CG 4.38Å
218L97.9Very high93.6Very high37 Ų3756.9 Ų56.919%0.19434%0.337CS..  trans-126.5134.4178.6-61-176.3000111L143 V216 S220 L245 L246 K247L143-L218 WeakPolarHBondContact CD2-O 3.18Å; V216-L218 HydrophobicContact CG1-CD2 3.79Å; V216-L218 HydrophobicContact CG1-CG 4.36Å; L218-S220 PolarHBondContact O-N 2.7Å; L218-S220 VanDerWaalsContact O-N 3.14Å; L218-L245 HydrophobicContact CD1-CB 4.06Å; L218-L245 HydrophobicContact CD1-CD1 3.88Å; L218-L245 HydrophobicContact CD1-CD2 3.89Å; L218-L245 HydrophobicContact CD1-CG 4.15Å; L218-L245 HydrophobicContact CG-CD2 4.45Å; L218-L246 PolarHBondContact N-O 2.95Å; L218-K247 HydrophobicContact CB-CG 4.45Å
219G96.7Very high93.1Very high19 Ų1962.1 Ų62.120%0.19635%0.348CS..  trans-84.560.4171.200000111.8D139D139-G219 WeakPolarHBondContact CB-O 3.44Å
220S95.3Very high92.8Very high9 Ų958.6 Ų58.66%0.06333%0.33CS..  trans-110145.9179.453.70000111.4L218 D224 K247 L249L218-S220 PolarHBondContact O-N 2.7Å; L218-S220 VanDerWaalsContact O-N 3.14Å; S220-D224 WeakPolarHBondContact CA-OD2 3.4Å; S220-K247 VanDerWaalsContact OG-CD 3.27Å; S220-K247 WeakPolarHBondContact OG-CD 3.3Å; S220-K247 WeakPolarHBondContact OG-CG 3.25Å; S220-L249 CarbonylContact O-C 3.52Å
221R95.4Very high92.8Very high1 Ų160 Ų600%0.00434%0.342CS..  trans-113.1156.4178-68.7-179.9-75.9136.66.1111.2D139 T223 D224 H227 W252 Y254 E314D139-R221 IonicContact OD1-CZ 3.79Å; D139-R221 IonicContact OD1-NE 3.64Å; D139-R221 PolarHBondContact OD1-NE 2.87Å; D139-R221 IonicContact OD1-NH2 3.86Å; D139-R221 PolarHBondContact OD1-NH2 3.38Å; R221-T223 PolarHBondContact O-N 2.87Å; R221-D224 PolarHBondContact N-OD2 3.19Å; R221-D224 IonicContact NH2-OD1 2.62Å; R221-D224 VanDerWaalsContact O-CB 3.25Å; R221-D224 WeakPolarHBondContact O-CB 3.09Å; R221-D224 PolarHBondContact O-N 2.67Å; R221-H227 WeakPolarHBondContact O-CB 3.36Å; R221-W252 WeakPolarHBondContact CD-O 3.16Å; R221-W252 HydrophobicContact CG-CB 4.45Å; R221-W252 WeakPolarHBondContact CG-O 3.19Å; R221-Y254 VanDerWaalsContact NH1-CA 3.34Å; R221-Y254 VanDerWaalsContact NH1-N 3.19Å; R221-E314 IonicContact CZ-OE1 2.87Å; R221-E314 IonicContact CZ-OE2 2.67Å; R221-E314 IonicContact NH1-OE2 3.42Å; R221-E314 PolarHBondContact NH1-OE2 3.5Å; R221-E314 IonicContact NH2-OE1 2.7Å; R221-E314 PolarHBondContact NH2-OE1 3.34Å; R221-E314 IonicContact NH2-OE2 3.72Å; R221-E314 PolarHBondContact NH2-OE2 3.37Å
222A93.6Very high92.8Very high37 Ų3758.3 Ų58.331%0.30632%0.324SS..THydrogen-bonded Turntrans-61.9-28.5175.800000112.2D224 H227 L250A222-D224 PolarHBondContact O-N 2.9Å; A222-H227 CarbonylContact O-C 3.59Å; A222-L250 HydrophobicContact CB-CD1 4.16Å; A222-L250 HydrophobicContact CB-CG 4.25Å; A222-L250 WeakPolarHBondContact CB-O 3.36Å; A222-L250 PolarHBondContact N-O 2.87Å
223T90.7Very high92.9Very high97 Ų9755.2 Ų55.260%0.59532%0.317SS*.THydrogen-bonded Turntrans-78.82.4175.959.70000113.7R221R221-T223 PolarHBondContact O-N 2.87Å
224D90.1Very high92.9Very high12 Ų1254.2 Ų54.26%0.06432%0.318CS..SBendtrans-76.8147173-66.8-29.5000110.3S220 R221 A222 G226 H227 R315S220-D224 WeakPolarHBondContact CA-OD2 3.4Å; R221-D224 PolarHBondContact N-OD2 3.19Å; R221-D224 IonicContact NH2-OD1 2.62Å; R221-D224 VanDerWaalsContact O-CB 3.25Å; R221-D224 WeakPolarHBondContact O-CB 3.09Å; R221-D224 PolarHBondContact O-N 2.67Å; A222-D224 PolarHBondContact O-N 2.9Å; D224-G226 PolarHBondContact O-N 3.3Å; D224-H227 HydrophobicContact CB-CB 4.3Å; D224-H227 VanDerWaalsContact O-CB 3.29Å; D224-H227 WeakPolarHBondContact O-CB 3.43Å; D224-H227 PolarHBondContact O-N 3.29Å; D224-R315 IonicContact OD1-CZ 3.97Å; D224-R315 IonicContact OD1-NE 3.26Å; D224-R315 IonicContact OD1-NH2 2.88Å; D224-R315 PolarHBondContact OD1-NH2 3.02Å; D224-R315 IonicContact OD2-NH2 3.47Å
225P84.9Confident92.9Very high84 Ų8453.6 Ų53.655%0.54532%0.324SS..THydrogen-bonded Turntrans-50.2132.8173.3-25.434.7000111.6H227P225-H227 VanDerWaalsContact C-N 3.26Å; P225-H227 PolarHBondContact O-N 3.31Å; P225-H227 PolarHBondContact O-ND1 2.79Å
226G82.8Confident92.7Very high75 Ų7552.4 Ų52.477%0.77332%0.321SS*.THydrogen-bonded Turntrans72.413.2-178.700000114.7D224D224-G226 PolarHBondContact O-N 3.3Å
227H83.7Confident92.5Very high36 Ų3657.6 Ų57.617%0.16735%0.349CS..  trans-110.812.5178.6-69.966000114.2R221 A222 D224 P225 E229 A230 K247R221-H227 WeakPolarHBondContact O-CB 3.36Å; A222-H227 CarbonylContact O-C 3.59Å; D224-H227 HydrophobicContact CB-CB 4.3Å; D224-H227 VanDerWaalsContact O-CB 3.29Å; D224-H227 WeakPolarHBondContact O-CB 3.43Å; D224-H227 PolarHBondContact O-N 3.29Å; P225-H227 VanDerWaalsContact C-N 3.26Å; P225-H227 PolarHBondContact O-N 3.31Å; P225-H227 PolarHBondContact O-ND1 2.79Å; H227-E229 PolarHBondContact O-N 3.49Å; H227-E229 VanDerWaalsContact O-N 3.16Å; H227-A230 HydrophobicContact CB-CB 3.81Å; H227-A230 VanDerWaalsContact O-CB 3.28Å; H227-A230 WeakPolarHBondContact O-CB 3.38Å; H227-A230 PolarHBondContact O-N 3.23Å; H227-K247 PolarHBondContact CD2-NZ 3.06Å; H227-K247 VanDerWaalsContact CD2-NZ 3.35Å; H227-K247 PolarHBondContact NE2-NZ 2.93Å
228D80.2Confident92.3Very high146 Ų14663.8 Ų63.878%0.78139%0.389SS*.THydrogen-bonded Turntrans-56.4-35.4-176.1-57.7-47.8000113.1
229E87.1Confident92.2Very high188 Ų18864.6 Ų64.688%0.87941%0.406SS*.THydrogen-bonded Turntrans-112.718.6175.8-60.4-174.2166.400112.8H227H227-E229 PolarHBondContact O-N 3.49Å; H227-E229 VanDerWaalsContact O-N 3.16Å
230A90.7Very high92.2Very high28 Ų2868.2 Ų68.223%0.23141%0.414CS..  trans-64.6143.6-178.100000111.1H227 L250H227-A230 HydrophobicContact CB-CB 3.81Å; H227-A230 VanDerWaalsContact O-CB 3.28Å; H227-A230 WeakPolarHBondContact O-CB 3.38Å; H227-A230 PolarHBondContact O-N 3.23Å; A230-L250 HydrophobicContact CB-CD1 3.82Å; A230-L250 WeakPolarHBondContact O-CD2 3.22Å
231T95.7Very high92.3Very high78 Ų7868 Ų6848%0.47941%0.412SS..  trans-108.5161.117262.50000110.5I233T231-I233 PolarHBondContact O-N 3.31Å; T231-I233 PolarHBondContact OG1-O 3.31Å
232K97.2Very high92.4Very high50 Ų5073.8 Ų73.822%0.21744%0.439CS..SBendtrans-66.1-24.9179.8-67.2-169.5177.4-179.80113.6F117 L246 K247 L250 D251F117-K232 HydrophobicContact CD2-CB 4.38Å; F117-K232 HydrophobicContact CD2-CD 4.09Å; F117-K232 HydrophobicContact CE2-CB 3.64Å; F117-K232 HydrophobicContact CE2-CD 4.19Å; F117-K232 HydrophobicContact CZ-CB 4.02Å; K232-L246 WeakPolarHBondContact O-CA 3.21Å; K232-K247 PolarHBondContact O-N 3.32Å; K232-L250 HydrophobicContact CG-CB 4.12Å; K232-L250 HydrophobicContact CG-CD2 3.79Å; K232-D251 WeakPolarHBondContact CE-OD2 3.5Å; K232-D251 IonicContact NZ-OD2 2.76Å; K232-D251 PolarHBondContact NZ-OD2 3.36Å
233I98Very high92.6Very high76 Ų7672.1 Ų72.139%0.3943%0.425SS..EExtended strand (participates in β ladder)trans-132.8113178.5-55.6177.9000107.6F117 T231 V244 L245 L246F117-I233 HydrophobicContact CE2-CD1 4.01Å; F117-I233 HydrophobicContact CE2-CG1 3.79Å; F117-I233 HydrophobicContact CZ-CD1 4.17Å; F117-I233 HydrophobicContact CZ-CG1 3.67Å; T231-I233 PolarHBondContact O-N 3.31Å; T231-I233 PolarHBondContact OG1-O 3.31Å; I233-V244 HydrophobicContact CG2-CG1 3.56Å; I233-L245 WeakPolarHBondContact CA-O 3.38Å; I233-L246 HydrophobicContact CD1-CD2 4.5Å; I233-L246 HydrophobicContact CG1-CD2 4.01Å; I233-L246 HydrophobicContact CG2-CD2 4.27Å
234A96.7Very high93Very high22 Ų2269 Ų6918%0.18241%0.406CS..EExtended strand (participates in β ladder)trans-141.8146.6179.800000110.6V244 L245A234-V244 CarbonylContact O-C 3.55Å; A234-L245 PolarHBondContact N-O 2.65Å; A234-L245 WeakPolarHBondContact O-CB 3.31Å; A234-L245 PolarHBondContact O-N 2.84Å
235P97.2Very high93.3Very high82 Ų8269.8 Ų69.853%0.53241%0.41SS..EExtended strand (participates in β ladder)trans-65.9159.6164.232-34.4000110.2F243P235-F243 CarbonylContact C-O 3.55Å; P235-F243 WeakPolarHBondContact CA-O 3.48Å
236T95.9Very high94Very high20 Ų2065.8 Ų65.812%0.12338%0.384CS..PPolyproline II helixtrans-61.8149.6163.249.30000111.2P241 F243 L245T236-P241 PolarHBondContact OG1-O 3.4Å; T236-F243 HydrophobicContact CG2-CB 3.87Å; T236-F243 HydrophobicContact CG2-CD2 4.23Å; T236-F243 PolarHBondContact N-O 3.49Å; T236-F243 PolarHBondContact OG1-N 2.81Å; T236-L245 HydrophobicContact CG2-CD1 4.15Å; T236-L245 HydrophobicContact CG2-CD2 3.78Å; T236-L245 HydrophobicContact CG2-CG 4Å
237D93.5Very high94.7Very high113 Ų11363.1 Ų63.160%0.60435%0.351SS*.PPolyproline II helixtrans-59.9155.6179-61.6-31.2000112.9G239 W240D237-G239 PolarHBondContact O-N 3.31Å; D237-W240 WeakPolarHBondContact O-CB 3.31Å; D237-W240 PolarHBondContact O-N 3.17Å; D237-W240 VanDerWaalsContact O-N 3.11Å
238P95.3Very high95.4Very high130 Ų13061.5 Ų61.584%0.84434%0.343SS*.THydrogen-bonded Turntrans-50.9137.8174.6-2835.9000113.1W240P238-W240 VanDerWaalsContact C-N 3.28Å; P238-W240 PolarHBondContact O-N 3.04Å
239G95.8Very high96.3Very high54 Ų5454.5 Ų54.556%0.55731%0.306SS*.THydrogen-bonded Turntrans82.5-5.6-178.300000115K200 F204 D237K200-G239 WeakPolarHBondContact CE-O 3.42Å; K200-G239 PolarHBondContact NZ-O 3.09Å; K200-G239 VanDerWaalsContact NZ-O 3.1Å; F204-G239 WeakPolarHBondContact CZ-O 3.47Å; D237-G239 PolarHBondContact O-N 3.31Å
240W97.1Very high96.8Very high94 Ų9446 Ų4636%0.35627%0.267SS..SBendtrans-90.8157.6168-68.478.4000111.3I199 K200 L203 D237 P238 H242I199-W240 HydrophobicContact CG2-CH2 4.44Å; I199-W240 HydrophobicContact CG2-CZ3 4.04Å; K200-W240 HydrophobicContact CB-CD2 4.48Å; K200-W240 HydrophobicContact CB-CE3 3.93Å; K200-W240 HydrophobicContact CB-CH2 3.95Å; K200-W240 HydrophobicContact CB-CZ3 3.63Å; K200-W240 HydrophobicContact CD-CD2 4.31Å; K200-W240 HydrophobicContact CG-CD2 4.09Å; K200-W240 HydrophobicContact CG-CE3 3.87Å; K200-W240 HydrophobicContact CG-CZ3 4.1Å; L203-W240 HydrophobicContact CD1-CE3 3.94Å; L203-W240 HydrophobicContact CD1-CZ3 3.89Å; D237-W240 WeakPolarHBondContact O-CB 3.31Å; D237-W240 PolarHBondContact O-N 3.17Å; D237-W240 VanDerWaalsContact O-N 3.11Å; P238-W240 VanDerWaalsContact C-N 3.28Å; P238-W240 PolarHBondContact O-N 3.04Å; W240-H242 PolarHBondContact O-N 2.72Å
241P96.7Very high97.1Very high5 Ų548.5 Ų48.53%0.03228%0.276CS..  trans-60.5132.9172.424.4-33.4000110.8L203 F204 K207 T236 F243L203-P241 HydrophobicContact CB-CG 3.5Å; F204-P241 HydrophobicContact CD1-CB 3.81Å; F204-P241 HydrophobicContact CD1-CG 4.27Å; F204-P241 HydrophobicContact CD2-CG 4.49Å; F204-P241 HydrophobicContact CE1-CB 3.94Å; F204-P241 HydrophobicContact CE1-CG 4.46Å; F204-P241 HydrophobicContact CG-CB 4.28Å; F204-P241 HydrophobicContact CG-CG 4.27Å; K207-P241 HydrophobicContact CB-CB 4.02Å; K207-P241 HydrophobicContact CG-CB 4.27Å; T236-P241 PolarHBondContact OG1-O 3.4Å; P241-F243 HydrophobicContact CB-CD2 4.45Å; P241-F243 HydrophobicContact CB-CE2 3.94Å; P241-F243 HydrophobicContact CG-CD2 4.4Å; P241-F243 HydrophobicContact CG-CE2 3.93Å; P241-F243 VanDerWaalsContact O-CD2 3.24Å; P241-F243 WeakPolarHBondContact O-CD2 3.45Å; P241-F243 PolarHBondContact O-N 2.95Å; P241-F243 VanDerWaalsContact O-N 3.14Å
242H97Very high97.2Very high123 Ų12345 Ų4557%0.56925%0.254SS*.  trans-68114.1-172.3-173.273.2000112.8K207 W240K207-H242 PolarHBondContact NZ-O 3.42Å; W240-H242 PolarHBondContact O-N 2.72Å
243F98.1Very high97.1Very high2 Ų244.3 Ų44.31%0.00926%0.256CS..  trans-133.4158.7166.4-61.9-77.2000110.4L203 F206 K207 R213 K214 V216 P235 T236 P241 L245L203-F243 HydrophobicContact CD2-CE2 4.45Å; F206-F243 HydrophobicContact CD1-CE1 4.3Å; F206-F243 AromaticContact CD1-CZ 3.74Å; F206-F243 HydrophobicContact CD1-CZ 3.74Å; F206-F243 HydrophobicContact CE1-CE1 4.08Å; F206-F243 AromaticContact CE1-CZ 3.98Å; F206-F243 HydrophobicContact CE1-CZ 3.98Å; K207-F243 HydrophobicContact CB-CE2 4.29Å; K207-F243 HydrophobicContact CB-CZ 3.79Å; K207-F243 HydrophobicContact CD-CD1 4.3Å; K207-F243 HydrophobicContact CD-CE1 3.5Å; K207-F243 VanDerWaalsContact CD-CE1 3.5Å; K207-F243 HydrophobicContact CD-CE2 4.17Å; K207-F243 HydrophobicContact CD-CZ 3.42Å; K207-F243 VanDerWaalsContact CD-CZ 3.42Å; K207-F243 HydrophobicContact CG-CZ 4.14Å; R213-F243 HydrophobicContact CB-CE1 4.36Å; R213-F243 WeakPolarHBondContact O-CE1 3.02Å; K214-F243 WeakPolarHBondContact O-CA 3.19Å; V216-F243 HydrophobicContact CG2-CB 3.9Å; V216-F243 HydrophobicContact CG2-CD1 3.53Å; V216-F243 HydrophobicContact CG2-CD2 4.39Å; V216-F243 HydrophobicContact CG2-CE1 4.1Å; V216-F243 HydrophobicContact CG2-CG 3.69Å; P235-F243 CarbonylContact C-O 3.55Å; P235-F243 WeakPolarHBondContact CA-O 3.48Å; T236-F243 HydrophobicContact CG2-CB 3.87Å; T236-F243 HydrophobicContact CG2-CD2 4.23Å; T236-F243 PolarHBondContact N-O 3.49Å; T236-F243 PolarHBondContact OG1-N 2.81Å; P241-F243 HydrophobicContact CB-CD2 4.45Å; P241-F243 HydrophobicContact CB-CE2 3.94Å; P241-F243 HydrophobicContact CG-CD2 4.4Å; P241-F243 HydrophobicContact CG-CE2 3.93Å; P241-F243 VanDerWaalsContact O-CD2 3.24Å; P241-F243 WeakPolarHBondContact O-CD2 3.45Å; P241-F243 PolarHBondContact O-N 2.95Å; P241-F243 VanDerWaalsContact O-N 3.14Å; F243-L245 HydrophobicContact CB-CD2 4.2Å
244V98.4Very high97.1Very high31 Ų3140.8 Ų40.819%0.18824%0.238CC..EExtended strand (participates in β ladder)trans-97114.6162.1178.70000107.7K214 Y215 V216 I233 A234 L246K214-V244 PolarHBondContact O-N 3.01Å; Y215-V244 CarbonylContact C-O 3.54Å; Y215-V244 VanDerWaalsContact CA-O 3.28Å; Y215-V244 WeakPolarHBondContact CA-O 3.11Å; Y215-V244 HydrophobicContact CD1-CB 3.6Å; Y215-V244 HydrophobicContact CD1-CG1 3.8Å; Y215-V244 HydrophobicContact CD1-CG2 4.27Å; Y215-V244 HydrophobicContact CE1-CB 3.88Å; Y215-V244 HydrophobicContact CE1-CG1 4.03Å; Y215-V244 HydrophobicContact CE1-CG2 4.05Å; V216-V244 PolarHBondContact N-O 3.3Å; I233-V244 HydrophobicContact CG2-CG1 3.56Å; A234-V244 CarbonylContact O-C 3.55Å; V244-L246 HydrophobicContact CG1-CD2 4.28Å
245L98.1Very high97.1Very high28 Ų2842.8 Ų42.815%0.14725%0.25CS..EExtended strand (participates in β ladder)trans-83.1128.9179.8-53.4-177.1000109.9V216 L218 I233 A234 T236 F243V216-L245 HydrophobicContact CB-CD2 4.16Å; V216-L245 WeakPolarHBondContact O-CA 3.14Å; L218-L245 HydrophobicContact CD1-CB 4.06Å; L218-L245 HydrophobicContact CD1-CD1 3.88Å; L218-L245 HydrophobicContact CD1-CD2 3.89Å; L218-L245 HydrophobicContact CD1-CG 4.15Å; L218-L245 HydrophobicContact CG-CD2 4.45Å; I233-L245 WeakPolarHBondContact CA-O 3.38Å; A234-L245 PolarHBondContact N-O 2.65Å; A234-L245 WeakPolarHBondContact O-CB 3.31Å; A234-L245 PolarHBondContact O-N 2.84Å; T236-L245 HydrophobicContact CG2-CD1 4.15Å; T236-L245 HydrophobicContact CG2-CD2 3.78Å; T236-L245 HydrophobicContact CG2-CG 4Å; F243-L245 HydrophobicContact CB-CD2 4.2Å
246L98.7Very high97.1Very high0 Ų039.7 Ų39.70%023%0.229CC..EExtended strand (participates in β ladder)trans-112.7114.1-179.4-60-179.4000109.1F117 C121 Y125 V216 F217 L218 K232 I233 V244 P248F117-L246 HydrophobicContact CE1-CB 4.12Å; F117-L246 HydrophobicContact CZ-CB 4.45Å; F117-L246 HydrophobicContact CZ-CD2 4.26Å; C121-L246 HydrophobicContact CB-CD1 4.15Å; Y125-L246 HydrophobicContact CD2-CD1 4.46Å; Y125-L246 HydrophobicContact CE2-CD1 4.45Å; Y125-L246 HydrophobicContact CE2-CD2 4.44Å; V216-L246 PolarHBondContact O-N 2.87Å; F217-L246 WeakPolarHBondContact CA-O 3.08Å; F217-L246 HydrophobicContact CD1-CB 3.61Å; F217-L246 HydrophobicContact CD1-CD1 4.19Å; F217-L246 HydrophobicContact CD2-CD1 4.28Å; F217-L246 HydrophobicContact CE1-CB 3.79Å; F217-L246 HydrophobicContact CE1-CD1 3.86Å; F217-L246 HydrophobicContact CE1-CG 4.5Å; F217-L246 HydrophobicContact CE2-CD1 3.95Å; F217-L246 HydrophobicContact CG-CB 4.21Å; F217-L246 HydrophobicContact CG-CD1 4.4Å; F217-L246 HydrophobicContact CZ-CD1 3.74Å; L218-L246 PolarHBondContact N-O 2.95Å; K232-L246 WeakPolarHBondContact O-CA 3.21Å; I233-L246 HydrophobicContact CD1-CD2 4.5Å; I233-L246 HydrophobicContact CG1-CD2 4.01Å; I233-L246 HydrophobicContact CG2-CD2 4.27Å; V244-L246 HydrophobicContact CG1-CD2 4.28Å; L246-P248 VanDerWaalsContact C-CD 3.48Å; L246-P248 WeakPolarHBondContact O-CD 3.23Å
247K98.3Very high97.2Very high20 Ų2038.8 Ų38.89%0.08722%0.223CC..  trans-119.173.4-170.5-53.5179.9-178.9-1660111.1L218 S220 H227 K232 L249 L250L218-K247 HydrophobicContact CB-CG 4.45Å; S220-K247 VanDerWaalsContact OG-CD 3.27Å; S220-K247 WeakPolarHBondContact OG-CD 3.3Å; S220-K247 WeakPolarHBondContact OG-CG 3.25Å; H227-K247 PolarHBondContact CD2-NZ 3.06Å; H227-K247 VanDerWaalsContact CD2-NZ 3.35Å; H227-K247 PolarHBondContact NE2-NZ 2.93Å; K232-K247 PolarHBondContact O-N 3.32Å; K247-L249 VanDerWaalsContact C-N 3.27Å; K247-L249 PolarHBondContact O-N 2.86Å; K247-L250 HydrophobicContact CB-CB 4.37Å; K247-L250 HydrophobicContact CD-CD1 4.4Å; K247-L250 WeakPolarHBondContact O-CB 3.23Å; K247-L250 PolarHBondContact O-N 2.89Å
248P98.5Very high97.4Very high1 Ų133.9 Ų33.91%0.00620%0.196CC..THydrogen-bonded Turntrans-66.2-26.3-176.223.4-32.6000114A114 F117 V118 L143 F217 L246 L250A114-P248 HydrophobicContact CB-CB 4.43Å; A114-P248 WeakPolarHBondContact CB-O 3.36Å; F117-P248 HydrophobicContact CD1-CB 3.68Å; F117-P248 HydrophobicContact CD1-CG 4.48Å; F117-P248 HydrophobicContact CE1-CB 4.23Å; F117-P248 HydrophobicContact CG-CB 4.37Å; V118-P248 HydrophobicContact CG2-CB 3.82Å; V118-P248 HydrophobicContact CG2-CG 3.93Å; L143-P248 HydrophobicContact CD1-CG 3.35Å; L143-P248 HydrophobicContact CD2-CG 4.14Å; L143-P248 HydrophobicContact CG-CG 4.37Å; F217-P248 HydrophobicContact CD1-CG 4.16Å; F217-P248 HydrophobicContact CE1-CG 4.38Å; L246-P248 VanDerWaalsContact C-CD 3.48Å; L246-P248 WeakPolarHBondContact O-CD 3.23Å; P248-L250 VanDerWaalsContact C-N 3.29Å; P248-L250 PolarHBondContact O-N 2.78Å
249L98.4Very high97.5Very high0 Ų030.4 Ų30.40%017%0.166CC..THydrogen-bonded Turntrans-89.610.4-178-55.3-175.6000113.2A114 D139 V142 L143 I146 S220 K247 D251 W252 I257A114-L249 HydrophobicContact CB-CD2 4.29Å; D139-L249 VanDerWaalsContact O-CD1 3.23Å; D139-L249 WeakPolarHBondContact O-CD1 3.46Å; V142-L249 HydrophobicContact CB-CD1 4.1Å; V142-L249 HydrophobicContact CG1-CD1 3.93Å; V142-L249 HydrophobicContact CG1-CD2 4Å; L143-L249 HydrophobicContact CB-CD1 4.05Å; I146-L249 HydrophobicContact CD1-CD2 3.92Å; S220-L249 CarbonylContact O-C 3.52Å; K247-L249 VanDerWaalsContact C-N 3.27Å; K247-L249 PolarHBondContact O-N 2.86Å; L249-D251 VanDerWaalsContact C-N 3.25Å; L249-D251 PolarHBondContact O-N 2.74Å; L249-D251 VanDerWaalsContact O-N 3.14Å; L249-W252 HydrophobicContact CB-CB 4.48Å; L249-W252 HydrophobicContact CB-CG 4.32Å; L249-W252 HydrophobicContact CD2-CD2 3.89Å; L249-W252 HydrophobicContact CD2-CE3 4.28Å; L249-W252 HydrophobicContact CD2-CG 4.29Å; L249-W252 HydrophobicContact CD2-CH2 4.32Å; L249-W252 HydrophobicContact CD2-CZ2 3.94Å; L249-W252 HydrophobicContact CD2-CZ3 4.49Å; L249-W252 VanDerWaalsContact O-CB 3.29Å; L249-W252 WeakPolarHBondContact O-CB 3.19Å; L249-W252 PolarHBondContact O-N 2.82Å; L249-I257 HydrophobicContact CD1-CD1 4.04Å
250L97.7Very high97.7Very high9 Ų927.8 Ų27.85%0.04714%0.14CC..THydrogen-bonded Turntrans-54.5-39.8-170.7-17269.2000113.5A222 A230 K232 K247 P248 W252A222-L250 HydrophobicContact CB-CD1 4.16Å; A222-L250 HydrophobicContact CB-CG 4.25Å; A222-L250 WeakPolarHBondContact CB-O 3.36Å; A222-L250 PolarHBondContact N-O 2.87Å; A230-L250 HydrophobicContact CB-CD1 3.82Å; A230-L250 WeakPolarHBondContact O-CD2 3.22Å; K232-L250 HydrophobicContact CG-CB 4.12Å; K232-L250 HydrophobicContact CG-CD2 3.79Å; K247-L250 HydrophobicContact CB-CB 4.37Å; K247-L250 HydrophobicContact CD-CD1 4.4Å; K247-L250 WeakPolarHBondContact O-CB 3.23Å; K247-L250 PolarHBondContact O-N 2.89Å; P248-L250 VanDerWaalsContact C-N 3.29Å; P248-L250 PolarHBondContact O-N 2.78Å; L250-W252 VanDerWaalsContact C-N 3.31Å; L250-W252 PolarHBondContact O-N 3.41Å
251D96.4Very high97.7Very high81 Ų8123.3 Ų23.343%0.43312%0.123SC..THydrogen-bonded Turntrans-88.33.3-176.5-45.8-42.9000113.6K110 K232 L249K110-D251 WeakPolarHBondContact CE-O 3.11Å; K110-D251 PolarHBondContact NZ-O 2.86Å; K110-D251 VanDerWaalsContact NZ-O 3.17Å; K232-D251 WeakPolarHBondContact CE-OD2 3.5Å; K232-D251 IonicContact NZ-OD2 2.76Å; K232-D251 PolarHBondContact NZ-OD2 3.36Å; L249-D251 VanDerWaalsContact C-N 3.25Å; L249-D251 PolarHBondContact O-N 2.74Å; L249-D251 VanDerWaalsContact O-N 3.14Å
252W97.8Very high97.8Very high4 Ų426.7 Ų26.72%0.01514%0.135CC..  trans-81.6141.4-177.8-72.442000110.6F107 K110 L111 A114 V142 I146 R221 L249 L250 D256 I257 F260F107-W252 HydrophobicContact CE2-CE3 4.45Å; F107-W252 HydrophobicContact CE2-CH2 4.32Å; F107-W252 HydrophobicContact CE2-CZ3 4.17Å; F107-W252 HydrophobicContact CZ-CH2 4.45Å; F107-W252 HydrophobicContact CZ-CZ3 4.45Å; K110-W252 PolarHBondContact O-NE1 3.24Å; L111-W252 HydrophobicContact CB-CZ2 4.37Å; L111-W252 HydrophobicContact CD1-CH2 3.86Å; L111-W252 HydrophobicContact CD1-CZ2 3.81Å; A114-W252 HydrophobicContact CB-CZ2 3.98Å; V142-W252 HydrophobicContact CG1-CE3 4.43Å; V142-W252 HydrophobicContact CG1-CH2 3.91Å; V142-W252 HydrophobicContact CG1-CZ3 3.7Å; I146-W252 HydrophobicContact CD1-CH2 4.24Å; I146-W252 HydrophobicContact CD1-CZ2 4.22Å; R221-W252 WeakPolarHBondContact CD-O 3.16Å; R221-W252 HydrophobicContact CG-CB 4.45Å; R221-W252 WeakPolarHBondContact CG-O 3.19Å; L249-W252 HydrophobicContact CB-CB 4.48Å; L249-W252 HydrophobicContact CB-CG 4.32Å; L249-W252 HydrophobicContact CD2-CD2 3.89Å; L249-W252 HydrophobicContact CD2-CE3 4.28Å; L249-W252 HydrophobicContact CD2-CG 4.29Å; L249-W252 HydrophobicContact CD2-CH2 4.32Å; L249-W252 HydrophobicContact CD2-CZ2 3.94Å; L249-W252 HydrophobicContact CD2-CZ3 4.49Å; L249-W252 VanDerWaalsContact O-CB 3.29Å; L249-W252 WeakPolarHBondContact O-CB 3.19Å; L249-W252 PolarHBondContact O-N 2.82Å; L250-W252 VanDerWaalsContact C-N 3.31Å; L250-W252 PolarHBondContact O-N 3.41Å; W252-D256 HydrophobicContact CB-CB 4.09Å; W252-D256 HydrophobicContact CD2-CB 4.13Å; W252-D256 HydrophobicContact CE3-CB 3.75Å; W252-D256 HydrophobicContact CG-CB 4.3Å; W252-I257 HydrophobicContact CB-CD1 4.4Å; W252-I257 HydrophobicContact CE3-CD1 3.77Å; W252-I257 HydrophobicContact CE3-CG1 4.42Å; W252-I257 HydrophobicContact CZ3-CD1 4.44Å; W252-F260 HydrophobicContact CH2-CB 4.12Å; W252-F260 AromaticContact CH2-CD2 3.75Å; W252-F260 HydrophobicContact CH2-CD2 3.75Å; W252-F260 HydrophobicContact CH2-CE2 4.4Å; W252-F260 AromaticContact CH2-CG 3.98Å; W252-F260 HydrophobicContact CH2-CG 3.98Å; W252-F260 HydrophobicContact CZ3-CB 3.72Å; W252-F260 HydrophobicContact CZ3-CD2 4.23Å; W252-F260 HydrophobicContact CZ3-CG 4.03Å
253S95.9Very high97.8Very high35 Ų3523.3 Ų23.325%0.24512%0.121CC..  trans-89.2171.5171.370.20000111.3S255 D256 I257S253-S255 VanDerWaalsContact C-N 3.26Å; S253-S255 PolarHBondContact O-N 3.02Å; S253-S255 PolarHBondContact OG-N 2.92Å; S253-D256 WeakPolarHBondContact CB-OD2 3.48Å; S253-D256 PolarHBondContact N-OD2 2.89Å; S253-D256 WeakPolarHBondContact O-CB 3.3Å; S253-D256 PolarHBondContact O-N 3.48Å; S253-D256 PolarHBondContact OG-N 2.95Å; S253-D256 PolarHBondContact OG-OD2 3.27Å; S253-I257 WeakPolarHBondContact O-CG1 3.47Å; S253-I257 PolarHBondContact O-N 3.35Å
254Y96.7Very high97.7Very high3 Ų324.1 Ų24.11%0.01213%0.125CC..Hα-helixtrans-56.3-42.5172-177.5-104.3000112.4K138 R221 I257 W258 A305 L308 P311 E314K138-Y254 HydrophobicContact CD-CE2 4.43Å; R221-Y254 VanDerWaalsContact NH1-CA 3.34Å; R221-Y254 VanDerWaalsContact NH1-N 3.19Å; Y254-I257 PolarHBondContact O-N 3.32Å; Y254-W258 AromaticContact CD1-CD1 3.72Å; Y254-W258 AromaticContact CD2-NE1 3.98Å; Y254-W258 AromaticContact CE1-CD1 3.34Å; Y254-W258 AromaticContact CE1-NE1 3.36Å; Y254-W258 AromaticContact CE2-CD1 3.9Å; Y254-W258 AromaticContact CE2-NE1 3.31Å; Y254-W258 VanDerWaalsContact CE2-NE1 3.31Å; Y254-W258 AromaticContact CZ-CD1 3.49Å; Y254-W258 VanDerWaalsContact CZ-CD1 3.49Å; Y254-W258 AromaticContact CZ-NE1 2.96Å; Y254-W258 PolarHBondContact O-N 3.46Å; Y254-W258 PolarHBondContact OH-NE1 2.77Å; Y254-A305 WeakPolarHBondContact OH-CB 3.24Å; Y254-A305 PolarHBondContact OH-O 3.06Å; Y254-L308 HydrophobicContact CE1-CB 3.85Å; Y254-L308 HydrophobicContact CE1-CD2 4.15Å; Y254-P311 HydrophobicContact CG-CB 4.48Å; Y254-E314 HydrophobicContact CD2-CB 4.2Å; Y254-E314 HydrophobicContact CD2-CG 3.72Å; Y254-E314 WeakPolarHBondContact CD2-OE2 3.21Å; Y254-E314 HydrophobicContact CE2-CB 4.26Å; Y254-E314 HydrophobicContact CE2-CG 3.6Å
255S96.5Very high97.6Very high64 Ų6423 Ų2345%0.44812%0.119SC..Hα-helixtrans-67.4-35.8179.5-53.40000112S253 I257 W258 R259S253-S255 VanDerWaalsContact C-N 3.26Å; S253-S255 PolarHBondContact O-N 3.02Å; S253-S255 PolarHBondContact OG-N 2.92Å; S255-I257 VanDerWaalsContact C-N 3.34Å; S255-I257 PolarHBondContact O-N 2.84Å; S255-W258 PolarHBondContact O-N 3.49Å; S255-R259 VanDerWaalsContact O-CB 3.28Å; S255-R259 WeakPolarHBondContact O-CB 3.46Å; S255-R259 PolarHBondContact O-N 2.67Å
256D98.1Very high97.6Very high17 Ų1721.7 Ų21.79%0.09111%0.112CC..Hα-helixtrans-62-42.2177-64.4-36.8000111.1F107 K110 W252 S253 F260F107-D256 HydrophobicContact CD2-CB 3.98Å; F107-D256 VanDerWaalsContact CD2-OD1 3.26Å; F107-D256 WeakPolarHBondContact CD2-OD1 3.38Å; F107-D256 HydrophobicContact CE2-CB 3.77Å; K110-D256 WeakPolarHBondContact CD-OD2 3.03Å; K110-D256 IonicContact NZ-OD2 2.65Å; K110-D256 PolarHBondContact NZ-OD2 3.44Å; W252-D256 HydrophobicContact CB-CB 4.09Å; W252-D256 HydrophobicContact CD2-CB 4.13Å; W252-D256 HydrophobicContact CE3-CB 3.75Å; W252-D256 HydrophobicContact CG-CB 4.3Å; S253-D256 WeakPolarHBondContact CB-OD2 3.48Å; S253-D256 PolarHBondContact N-OD2 2.89Å; S253-D256 WeakPolarHBondContact O-CB 3.3Å; S253-D256 PolarHBondContact O-N 3.48Å; S253-D256 PolarHBondContact OG-N 2.95Å; S253-D256 PolarHBondContact OG-OD2 3.27Å; D256-F260 WeakPolarHBondContact O-CB 3.29Å; D256-F260 PolarHBondContact O-N 3.04Å
257I98.5Very high97.6Very high0 Ų022.6 Ų22.60%012%0.118CC..Hα-helixtrans-61.1-50176.7-62.8-67.2000110.7K138 V142 L249 W252 S253 Y254 S255 F260 L261K138-I257 HydrophobicContact CB-CG2 3.99Å; K138-I257 HydrophobicContact CD-CG2 3.86Å; K138-I257 HydrophobicContact CG-CG2 3.77Å; V142-I257 HydrophobicContact CB-CD1 4.45Å; V142-I257 HydrophobicContact CG2-CD1 4.22Å; V142-I257 HydrophobicContact CG2-CG2 3.94Å; L249-I257 HydrophobicContact CD1-CD1 4.04Å; W252-I257 HydrophobicContact CB-CD1 4.4Å; W252-I257 HydrophobicContact CE3-CD1 3.77Å; W252-I257 HydrophobicContact CE3-CG1 4.42Å; W252-I257 HydrophobicContact CZ3-CD1 4.44Å; S253-I257 WeakPolarHBondContact O-CG1 3.47Å; S253-I257 PolarHBondContact O-N 3.35Å; Y254-I257 PolarHBondContact O-N 3.32Å; S255-I257 VanDerWaalsContact C-N 3.34Å; S255-I257 PolarHBondContact O-N 2.84Å; I257-F260 PolarHBondContact O-N 2.91Å; I257-L261 HydrophobicContact CG2-CD1 4.14Å; I257-L261 WeakPolarHBondContact O-CG 3.31Å; I257-L261 PolarHBondContact O-N 3.34Å; I257-L261 VanDerWaalsContact O-N 3.1Å
258W98.1Very high97.6Very high10 Ų1021.9 Ų21.94%0.03812%0.115CC..Hα-helixtrans-68.3-40.6-178.5-77.3119000113K138 Y254 S255 F260 L261 R262 Y268 Y272 A305K138-W258 HydrophobicContact CB-CH2 4.42Å; K138-W258 HydrophobicContact CD-CH2 4.24Å; K138-W258 HydrophobicContact CD-CZ2 3.51Å; Y254-W258 AromaticContact CD1-CD1 3.72Å; Y254-W258 AromaticContact CD2-NE1 3.98Å; Y254-W258 AromaticContact CE1-CD1 3.34Å; Y254-W258 AromaticContact CE1-NE1 3.36Å; Y254-W258 AromaticContact CE2-CD1 3.9Å; Y254-W258 AromaticContact CE2-NE1 3.31Å; Y254-W258 VanDerWaalsContact CE2-NE1 3.31Å; Y254-W258 AromaticContact CZ-CD1 3.49Å; Y254-W258 VanDerWaalsContact CZ-CD1 3.49Å; Y254-W258 AromaticContact CZ-NE1 2.96Å; Y254-W258 PolarHBondContact O-N 3.46Å; Y254-W258 PolarHBondContact OH-NE1 2.77Å; S255-W258 PolarHBondContact O-N 3.49Å; W258-F260 VanDerWaalsContact C-N 3.32Å; W258-F260 PolarHBondContact O-N 3.06Å; W258-L261 HydrophobicContact CE3-CD1 4.05Å; W258-L261 HydrophobicContact CZ3-CD1 4Å; W258-L261 PolarHBondContact O-N 2.94Å; W258-R262 VanDerWaalsContact O-CB 3.22Å; W258-R262 WeakPolarHBondContact O-CB 3.47Å; W258-R262 WeakPolarHBondContact O-CG 3.37Å; W258-R262 PolarHBondContact O-N 2.81Å; W258-Y268 HydrophobicContact CH2-CD2 4.16Å; W258-Y268 HydrophobicContact CH2-CE2 4.34Å; W258-Y268 HydrophobicContact CH2-CG 4.31Å; W258-Y268 AromaticContact CZ3-CD1 3.84Å; W258-Y268 HydrophobicContact CZ3-CD1 3.84Å; W258-Y268 HydrophobicContact CZ3-CD2 4.07Å; W258-Y268 AromaticContact CZ3-CE1 3.88Å; W258-Y268 HydrophobicContact CZ3-CE1 3.88Å; W258-Y268 HydrophobicContact CZ3-CE2 4.12Å; W258-Y268 AromaticContact CZ3-CG 3.91Å; W258-Y268 HydrophobicContact CZ3-CG 3.91Å; W258-Y272 AromaticContact CH2-CD1 3.71Å; W258-Y272 HydrophobicContact CH2-CD1 3.71Å; W258-Y272 AromaticContact CH2-CD2 3.98Å; W258-Y272 HydrophobicContact CH2-CD2 3.98Å; W258-Y272 HydrophobicContact CH2-CE1 4.44Å; W258-Y272 AromaticContact CH2-CG 3.5Å; W258-Y272 HydrophobicContact CH2-CG 3.5Å; W258-Y272 AromaticContact CZ2-CD1 3.56Å; W258-Y272 HydrophobicContact CZ2-CD1 3.56Å; W258-Y272 HydrophobicContact CZ2-CE1 4.14Å; W258-Y272 AromaticContact CZ2-CG 3.88Å; W258-Y272 HydrophobicContact CZ2-CG 3.88Å; W258-A305 HydrophobicContact CH2-CB 4.23Å; W258-A305 HydrophobicContact CZ2-CB 3.51Å
259R97.6Very high97.5Very high57 Ų5721.9 Ų21.922%0.21512%0.115CC..Hα-helixtrans-55.8-50.1174.3179.6176.5179.5176.12.7110.5E103 D104 F107 S255 L261 R262 D263E103-R259 IonicContact OE2-NH2 2.67Å; D104-R259 VanDerWaalsContact CB-NH1 3.3Å; D104-R259 VanDerWaalsContact CG-NH1 3.32Å; D104-R259 IonicContact OD2-CZ 3.47Å; D104-R259 IonicContact OD2-NH1 2.72Å; D104-R259 PolarHBondContact OD2-NH1 3.25Å; F107-R259 HydrophobicContact CD1-CG 4.45Å; F107-R259 VanDerWaalsContact CD1-CZ 3.42Å; F107-R259 HydrophobicContact CE1-CG 4.05Å; F107-R259 HydrophobicContact CZ-CG 4.34Å; S255-R259 VanDerWaalsContact O-CB 3.28Å; S255-R259 WeakPolarHBondContact O-CB 3.46Å; S255-R259 PolarHBondContact O-N 2.67Å; R259-L261 PolarHBondContact O-N 3.18Å; R259-R262 PolarHBondContact O-N 3.44Å; R259-D263 VanDerWaalsContact CG-OD2 3.25Å; R259-D263 WeakPolarHBondContact CG-OD2 3.44Å; R259-D263 IonicContact NE-OD2 3.55Å; R259-D263 PolarHBondContact NE-OD2 3.15Å; R259-D263 WeakPolarHBondContact O-CB 3.36Å; R259-D263 PolarHBondContact O-N 3.5Å
260F98.6Very high97.5Very high0 Ų024.8 Ų24.80%013%0.132CC..Hα-helixtrans-59.2-50.3179.6-173-90000112.8M93 Y96 F107 L111 V142 H145 I146 W252 D256 I257 W258 R262 L264 I266M93-F260 HydrophobicContact CE-CE2 3.75Å; M93-F260 HydrophobicContact CE-CZ 3.93Å; M93-F260 HydrophobicContact SD-CE2 3.94Å; M93-F260 HydrophobicContact SD-CZ 4.02Å; Y96-F260 HydrophobicContact CD1-CE2 4.32Å; Y96-F260 AromaticContact CE1-CD2 3.69Å; Y96-F260 HydrophobicContact CE1-CD2 3.69Å; Y96-F260 AromaticContact CE1-CE2 3.9Å; Y96-F260 HydrophobicContact CE1-CE2 3.9Å; F107-F260 HydrophobicContact CZ-CB 4.27Å; L111-F260 HydrophobicContact CD1-CD2 3.9Å; L111-F260 HydrophobicContact CD1-CE2 3.67Å; V142-F260 HydrophobicContact CB-CD1 4.2Å; V142-F260 HydrophobicContact CG1-CD1 3.71Å; V142-F260 HydrophobicContact CG1-CE1 4Å; V142-F260 HydrophobicContact CG1-CG 4.14Å; V142-F260 HydrophobicContact CG2-CB 4.5Å; V142-F260 HydrophobicContact CG2-CD1 3.87Å; H145-F260 HydrophobicContact CB-CE1 4.18Å; I146-F260 HydrophobicContact CG1-CE1 4.47Å; I146-F260 HydrophobicContact CG1-CE2 4.46Å; I146-F260 HydrophobicContact CG1-CZ 3.92Å; W252-F260 HydrophobicContact CH2-CB 4.12Å; W252-F260 AromaticContact CH2-CD2 3.75Å; W252-F260 HydrophobicContact CH2-CD2 3.75Å; W252-F260 HydrophobicContact CH2-CE2 4.4Å; W252-F260 AromaticContact CH2-CG 3.98Å; W252-F260 HydrophobicContact CH2-CG 3.98Å; W252-F260 HydrophobicContact CZ3-CB 3.72Å; W252-F260 HydrophobicContact CZ3-CD2 4.23Å; W252-F260 HydrophobicContact CZ3-CG 4.03Å; D256-F260 WeakPolarHBondContact O-CB 3.29Å; D256-F260 PolarHBondContact O-N 3.04Å; I257-F260 PolarHBondContact O-N 2.91Å; W258-F260 VanDerWaalsContact C-N 3.32Å; W258-F260 PolarHBondContact O-N 3.06Å; F260-R262 VanDerWaalsContact C-N 3.34Å; F260-R262 PolarHBondContact O-N 3.48Å; F260-L264 HydrophobicContact CD1-CD1 4.33Å; F260-L264 HydrophobicContact CD2-CD1 4.22Å; F260-L264 HydrophobicContact CE1-CD1 3.84Å; F260-L264 HydrophobicContact CE2-CD1 3.66Å; F260-L264 HydrophobicContact CZ-CD1 3.47Å; F260-L264 VanDerWaalsContact CZ-CD1 3.47Å; F260-L264 PolarHBondContact O-N 3.01Å; F260-I266 HydrophobicContact CD1-CD1 3.72Å; F260-I266 HydrophobicContact CE1-CD1 3.38Å; F260-I266 HydrophobicContact CZ-CD1 4.35Å
261L98.4Very high97.4Very high0 Ų024.6 Ų24.60%013%0.132CC..Hα-helixtrans-61-43.7179.3-69.6173.2000111.8Y47 K138 T141 V142 I257 W258 R259 C265 I266Y47-L261 PolarHBondContact OH-O 2.72Å; K138-L261 HydrophobicContact CB-CD1 3.78Å; T141-L261 HydrophobicContact CG2-CD2 4.08Å; V142-L261 HydrophobicContact CG2-CD1 4.19Å; V142-L261 HydrophobicContact CG2-CD2 3.68Å; V142-L261 HydrophobicContact CG2-CG 3.64Å; I257-L261 HydrophobicContact CG2-CD1 4.14Å; I257-L261 WeakPolarHBondContact O-CG 3.31Å; I257-L261 PolarHBondContact O-N 3.34Å; I257-L261 VanDerWaalsContact O-N 3.1Å; W258-L261 HydrophobicContact CE3-CD1 4.05Å; W258-L261 HydrophobicContact CZ3-CD1 4Å; W258-L261 PolarHBondContact O-N 2.94Å; R259-L261 PolarHBondContact O-N 3.18Å; L261-C265 PolarHBondContact O-N 3.46Å; L261-C265 VanDerWaalsContact O-N 3.16Å; L261-I266 HydrophobicContact CD2-CB 3.78Å; L261-I266 HydrophobicContact CD2-CD1 4.29Å; L261-I266 HydrophobicContact CD2-CG2 3.7Å; L261-I266 PolarHBondContact O-N 3.05Å
262R97.1Very high97.5Very high75 Ų7521 Ų2128%0.28311%0.112SC..Hα-helixtrans-75.1-41.8-175.1-68.5-70.7-54.8172.55.4112.3N46 Y47 W258 R259 F260 L264 C265N46-R262 PolarHBondContact O-NH1 2.79Å; Y47-R262 VanDerWaalsContact CE1-NH1 3.3Å; W258-R262 VanDerWaalsContact O-CB 3.22Å; W258-R262 WeakPolarHBondContact O-CB 3.47Å; W258-R262 WeakPolarHBondContact O-CG 3.37Å; W258-R262 PolarHBondContact O-N 2.81Å; R259-R262 PolarHBondContact O-N 3.44Å; F260-R262 VanDerWaalsContact C-N 3.34Å; F260-R262 PolarHBondContact O-N 3.48Å; R262-L264 VanDerWaalsContact C-N 3.26Å; R262-L264 PolarHBondContact O-N 3.39Å; R262-C265 PolarHBondContact O-N 3.42Å
263D97.1Very high97.4Very high52 Ų5222.4 Ų22.428%0.27812%0.12SC..Hα-helixtrans-63.5-32.5-179.9-79.7-6.5000113.1Y96 R99 R259Y96-D263 HydrophobicContact CD2-CB 4.28Å; Y96-D263 HydrophobicContact CE2-CB 3.37Å; Y96-D263 WeakPolarHBondContact CE2-OD2 3.49Å; Y96-D263 WeakPolarHBondContact OH-CB 3.24Å; Y96-D263 PolarHBondContact OH-OD2 2.87Å; R99-D263 VanDerWaalsContact NH2-CG 3.3Å; R99-D263 IonicContact NH2-OD1 2.67Å; R99-D263 IonicContact NH2-OD2 3.44Å; R99-D263 PolarHBondContact NH2-OD2 3.5Å; R259-D263 VanDerWaalsContact CG-OD2 3.25Å; R259-D263 WeakPolarHBondContact CG-OD2 3.44Å; R259-D263 IonicContact NE-OD2 3.55Å; R259-D263 PolarHBondContact NE-OD2 3.15Å; R259-D263 WeakPolarHBondContact O-CB 3.36Å; R259-D263 PolarHBondContact O-N 3.5Å
264L97.3Very high97.4Very high19 Ų1925.7 Ų25.710%0.09913%0.131CC..THydrogen-bonded Turntrans-101.66.9179.6-71.5173.1000113.1P85 M93 Y96 F260 R262 I266P85-L264 WeakPolarHBondContact CB-O 3.33Å; M93-L264 HydrophobicContact SD-CD1 4.22Å; Y96-L264 HydrophobicContact CD1-CD1 3.82Å; Y96-L264 HydrophobicContact CD1-CD2 4.12Å; Y96-L264 HydrophobicContact CD1-CG 3.99Å; Y96-L264 HydrophobicContact CD2-CD2 4.34Å; Y96-L264 HydrophobicContact CD2-CG 4.49Å; Y96-L264 HydrophobicContact CE1-CD1 4.05Å; Y96-L264 HydrophobicContact CE1-CG 4.22Å; Y96-L264 HydrophobicContact CG-CD1 4.38Å; Y96-L264 HydrophobicContact CG-CD2 3.83Å; Y96-L264 HydrophobicContact CG-CG 4.11Å; F260-L264 HydrophobicContact CD1-CD1 4.33Å; F260-L264 HydrophobicContact CD2-CD1 4.22Å; F260-L264 HydrophobicContact CE1-CD1 3.84Å; F260-L264 HydrophobicContact CE2-CD1 3.66Å; F260-L264 HydrophobicContact CZ-CD1 3.47Å; F260-L264 VanDerWaalsContact CZ-CD1 3.47Å; F260-L264 PolarHBondContact O-N 3.01Å; R262-L264 VanDerWaalsContact C-N 3.26Å; R262-L264 PolarHBondContact O-N 3.39Å; L264-I266 HydrophobicContact CB-CD1 3.78Å; L264-I266 HydrophobicContact CB-CG1 3.76Å; L264-I266 HydrophobicContact CD1-CD1 4.02Å; L264-I266 PolarHBondContact O-N 2.92Å; L264-I266 VanDerWaalsContact O-N 3.15Å
265C96.7Very high97.4Very high7 Ų725.5 Ų25.55%0.04713%0.13CC..THydrogen-bonded Turntrans5332-178.1-62.20000114.6Y47 N80 D82 P85 L261 R262 P267Y47-C265 HydrophobicContact CD1-CB 4.41Å; Y47-C265 HydrophobicContact CD2-CB 4.34Å; Y47-C265 HydrophobicContact CE1-CB 4.31Å; Y47-C265 VanDerWaalsContact CE2-C 3.42Å; Y47-C265 HydrophobicContact CE2-CB 4.27Å; Y47-C265 VanDerWaalsContact CE2-O 3.3Å; Y47-C265 WeakPolarHBondContact CE2-O 3.31Å; Y47-C265 HydrophobicContact CG-CB 4.43Å; Y47-C265 VanDerWaalsContact CZ-C 3.41Å; Y47-C265 VanDerWaalsContact OH-C 3.29Å; N80-C265 PolarHBondContact O-SG 2.96Å; D82-C265 HydrophobicContact CB-CB 4.28Å; D82-C265 WeakPolarHBondContact O-CB 3.33Å; P85-C265 WeakPolarHBondContact CG-O 3.38Å; L261-C265 PolarHBondContact O-N 3.46Å; L261-C265 VanDerWaalsContact O-N 3.16Å; R262-C265 PolarHBondContact O-N 3.42Å; C265-P267 WeakPolarHBondContact O-CD 3.47Å
266I98Very high97.4Very high1 Ų123.3 Ų23.31%0.00511%0.113CC..  trans-74.5119.8-177.7-60.3164.8000110.1Y47 P85 T141 H145 F260 L261 L264Y47-I266 PolarHBondContact OH-N 2.96Å; Y47-I266 VanDerWaalsContact OH-N 3.16Å; Y47-I266 PolarHBondContact OH-O 3.44Å; P85-I266 HydrophobicContact CB-CG1 4.35Å; T141-I266 HydrophobicContact CG2-CG2 3.86Å; H145-I266 HydrophobicContact CB-CD1 3.88Å; H145-I266 VanDerWaalsContact CG-CD1 3.48Å; F260-I266 HydrophobicContact CD1-CD1 3.72Å; F260-I266 HydrophobicContact CE1-CD1 3.38Å; F260-I266 HydrophobicContact CZ-CD1 4.35Å; L261-I266 HydrophobicContact CD2-CB 3.78Å; L261-I266 HydrophobicContact CD2-CD1 4.29Å; L261-I266 HydrophobicContact CD2-CG2 3.7Å; L261-I266 PolarHBondContact O-N 3.05Å; L264-I266 HydrophobicContact CB-CD1 3.78Å; L264-I266 HydrophobicContact CB-CG1 3.76Å; L264-I266 HydrophobicContact CD1-CD1 4.02Å; L264-I266 PolarHBondContact O-N 2.92Å; L264-I266 VanDerWaalsContact O-N 3.15Å
267P97.7Very high97.3Very high20 Ų2022.6 Ų22.613%0.1311%0.109CC..  trans-56.2143.6178.9-2735.5000113N46 F180 C265N46-P267 WeakPolarHBondContact OD1-CA 3.45Å; F180-P267 HydrophobicContact CE2-CB 4.42Å; F180-P267 WeakPolarHBondContact CE2-O 3.22Å; F180-P267 WeakPolarHBondContact CZ-O 3.48Å; C265-P267 WeakPolarHBondContact O-CD 3.47Å
268Y98.2Very high97Very high4 Ų423.2 Ų23.22%0.01611%0.113CC..  trans-136.1161.9176.554.8-101.5000110.5N46 W258 V270 Y272 D273 Y306N46-Y268 HydrophobicContact CB-CD1 4.32Å; N46-Y268 HydrophobicContact CB-CD2 4.5Å; N46-Y268 HydrophobicContact CB-CE1 3.74Å; N46-Y268 HydrophobicContact CB-CE2 3.94Å; N46-Y268 WeakPolarHBondContact ND2-CE2 3.32Å; N46-Y268 PolarHBondContact ND2-O 2.93Å; N46-Y268 PolarHBondContact OD1-N 3.27Å; N46-Y268 PolarHBondContact OD1-O 3.05Å; W258-Y268 HydrophobicContact CH2-CD2 4.16Å; W258-Y268 HydrophobicContact CH2-CE2 4.34Å; W258-Y268 HydrophobicContact CH2-CG 4.31Å; W258-Y268 AromaticContact CZ3-CD1 3.84Å; W258-Y268 HydrophobicContact CZ3-CD1 3.84Å; W258-Y268 HydrophobicContact CZ3-CD2 4.07Å; W258-Y268 AromaticContact CZ3-CE1 3.88Å; W258-Y268 HydrophobicContact CZ3-CE1 3.88Å; W258-Y268 HydrophobicContact CZ3-CE2 4.12Å; W258-Y268 AromaticContact CZ3-CG 3.91Å; W258-Y268 HydrophobicContact CZ3-CG 3.91Å; Y268-V270 PolarHBondContact O-N 3.07Å; Y268-Y272 HydrophobicContact CD2-CD2 4.05Å; Y268-Y272 HydrophobicContact CD2-CG 4.35Å; Y268-D273 VanDerWaalsContact CE2-OD1 3.24Å; Y268-D273 WeakPolarHBondContact CE2-OD1 3.45Å; Y268-D273 PolarHBondContact OH-OD1 3Å; Y268-Y306 WeakPolarHBondContact OH-CE1 3.18Å
269C97.6Very high96.6Very high1 Ų123.8 Ų23.81%0.00712%0.117CC..  trans-56.8131.1-179.1-178.30000112E176 F180 L271 Y272 L279E176-C269 PolarHBondContact O-SG 3.38Å; F180-C269 HydrophobicContact CB-CB 4.04Å; F180-C269 HydrophobicContact CD1-CB 3.94Å; F180-C269 HydrophobicContact CD2-CB 4.43Å; F180-C269 HydrophobicContact CG-CB 3.86Å; C269-L271 PolarHBondContact O-N 2.91Å; C269-L271 VanDerWaalsContact O-N 3.09Å; C269-Y272 HydrophobicContact CB-CD2 3.99Å; C269-Y272 HydrophobicContact CB-CE2 4.08Å; C269-Y272 WeakPolarHBondContact O-CB 3.4Å; C269-Y272 WeakPolarHBondContact O-CD2 3.23Å; C269-Y272 PolarHBondContact O-N 3.19Å; C269-L279 HydrophobicContact CB-CD1 3.88Å
270V97Very high95.9Very high61 Ų6122.3 Ų22.337%0.3712%0.12SC..G310 helixtrans-61.5-22.1-174.169.60000113.9E176 Y268 Y272 D273 H274E176-V270 HydrophobicContact CB-CG1 4.01Å; E176-V270 HydrophobicContact CG-CG1 3.88Å; Y268-V270 PolarHBondContact O-N 3.07Å; V270-Y272 PolarHBondContact O-N 3.33Å; V270-Y272 VanDerWaalsContact O-N 3.13Å; V270-D273 WeakPolarHBondContact O-CA 3.09Å; V270-D273 WeakPolarHBondContact O-CB 3.47Å; V270-D273 PolarHBondContact O-N 2.89Å; V270-H274 PolarHBondContact O-CD2 3.36Å; V270-H274 VanDerWaalsContact O-CD2 3.26Å; V270-H274 PolarHBondContact O-N 3.04Å
271L96.8Very high95.2Very high6 Ų624.3 Ų24.33%0.03113%0.133CC..G310 helixtrans-56.6-29.9173.3-66.7177.3000112.5F174 E176 V177 C269 D273 H274 G275 F276 L279F174-L271 HydrophobicContact CB-CD1 3.62Å; F174-L271 HydrophobicContact CD1-CD1 3.96Å; F174-L271 HydrophobicContact CD1-CD2 4.5Å; F174-L271 HydrophobicContact CD2-CD1 3.91Å; F174-L271 HydrophobicContact CG-CD1 3.57Å; E176-L271 HydrophobicContact CB-CD1 4.16Å; E176-L271 HydrophobicContact CB-CD2 4.22Å; E176-L271 HydrophobicContact CB-CG 3.84Å; E176-L271 HydrophobicContact CG-CD2 4.11Å; E176-L271 HydrophobicContact CG-CG 4.28Å; V177-L271 HydrophobicContact CG2-CD1 3.92Å; C269-L271 PolarHBondContact O-N 2.91Å; C269-L271 VanDerWaalsContact O-N 3.09Å; L271-D273 VanDerWaalsContact C-N 3.26Å; L271-D273 PolarHBondContact O-N 3.5Å; L271-H274 CarbonylContact O-C 3.53Å; L271-H274 WeakPolarHBondContact O-CA 3.47Å; L271-H274 PolarHBondContact O-N 3.45Å; L271-G275 PolarHBondContact O-N 2.79Å; L271-F276 HydrophobicContact CB-CB 4.1Å; L271-F276 HydrophobicContact CB-CD2 3.87Å; L271-F276 HydrophobicContact CB-CG 4.05Å; L271-F276 HydrophobicContact CD2-CD2 4.14Å; L271-F276 HydrophobicContact CD2-CE2 3.95Å; L271-F276 HydrophobicContact CD2-CZ 4.48Å; L271-F276 WeakPolarHBondContact O-CB 3.42Å; L271-F276 VanDerWaalsContact O-CD2 3.31Å; L271-F276 WeakPolarHBondContact O-CD2 3.36Å; L271-F276 PolarHBondContact O-N 3.02Å; L271-F276 VanDerWaalsContact O-N 3.15Å; L271-L279 HydrophobicContact CB-CD2 3.89Å; L271-L279 HydrophobicContact CD1-CD2 3.85Å
272Y97.8Very high94.5Very high4 Ų429.6 Ų29.62%0.01616%0.156CC..G310 helixtrans-62.6-33.8173.4-69.4-66.4000112K138 W258 Y268 C269 V270 H274 G275 F276 L279 P304 A305K138-Y272 HydrophobicContact CB-CE1 4.46Å; K138-Y272 HydrophobicContact CB-CE2 3.97Å; K138-Y272 HydrophobicContact CD-CE1 4.02Å; K138-Y272 HydrophobicContact CG-CE1 4.29Å; K138-Y272 PolarHBondContact N-OH 3.18Å; W258-Y272 AromaticContact CH2-CD1 3.71Å; W258-Y272 HydrophobicContact CH2-CD1 3.71Å; W258-Y272 AromaticContact CH2-CD2 3.98Å; W258-Y272 HydrophobicContact CH2-CD2 3.98Å; W258-Y272 HydrophobicContact CH2-CE1 4.44Å; W258-Y272 AromaticContact CH2-CG 3.5Å; W258-Y272 HydrophobicContact CH2-CG 3.5Å; W258-Y272 AromaticContact CZ2-CD1 3.56Å; W258-Y272 HydrophobicContact CZ2-CD1 3.56Å; W258-Y272 HydrophobicContact CZ2-CE1 4.14Å; W258-Y272 AromaticContact CZ2-CG 3.88Å; W258-Y272 HydrophobicContact CZ2-CG 3.88Å; Y268-Y272 HydrophobicContact CD2-CD2 4.05Å; Y268-Y272 HydrophobicContact CD2-CG 4.35Å; C269-Y272 HydrophobicContact CB-CD2 3.99Å; C269-Y272 HydrophobicContact CB-CE2 4.08Å; C269-Y272 WeakPolarHBondContact O-CB 3.4Å; C269-Y272 WeakPolarHBondContact O-CD2 3.23Å; C269-Y272 PolarHBondContact O-N 3.19Å; V270-Y272 PolarHBondContact O-N 3.33Å; V270-Y272 VanDerWaalsContact O-N 3.13Å; Y272-H274 PolarHBondContact O-N 2.96Å; Y272-G275 PolarHBondContact O-N 3.39Å; Y272-F276 WeakPolarHBondContact CD1-O 3.43Å; Y272-L279 HydrophobicContact CD2-CD1 4.19Å; Y272-L279 HydrophobicContact CE1-CD1 4.26Å; Y272-L279 HydrophobicContact CE1-CG 4.05Å; Y272-L279 HydrophobicContact CE2-CD1 3.42Å; Y272-L279 VanDerWaalsContact CE2-CD1 3.42Å; Y272-L279 HydrophobicContact CE2-CG 4.13Å; Y272-L279 VanDerWaalsContact CZ-CD1 3.43Å; Y272-L279 WeakPolarHBondContact OH-CD1 3.44Å; Y272-P304 CarbonylContact O-C 3.53Å; Y272-P304 VanDerWaalsContact O-CA 3.32Å; Y272-P304 WeakPolarHBondContact O-CA 3.49Å; Y272-A305 HydrophobicContact CD1-CB 3.76Å; Y272-A305 HydrophobicContact CG-CB 4.36Å; Y272-A305 WeakPolarHBondContact O-CB 3.37Å; Y272-A305 PolarHBondContact O-N 2.89Å
273D96.5Very high93.8Very high35 Ų3532 Ų3219%0.18718%0.175CC..G310 helixtrans-72-18.3174.5-62.1-41.8000112.1N46 Y268 V270 L271N46-D273 PolarHBondContact ND2-OD2 2.94Å; Y268-D273 VanDerWaalsContact CE2-OD1 3.24Å; Y268-D273 WeakPolarHBondContact CE2-OD1 3.45Å; Y268-D273 PolarHBondContact OH-OD1 3Å; V270-D273 WeakPolarHBondContact O-CA 3.09Å; V270-D273 WeakPolarHBondContact O-CB 3.47Å; V270-D273 PolarHBondContact O-N 2.89Å; L271-D273 VanDerWaalsContact C-N 3.26Å; L271-D273 PolarHBondContact O-N 3.5Å
274H95.9Very high93.1Very high103 Ų10330.9 Ų30.948%0.47717%0.171SC..G310 helixtrans-96.420.1174.8-58.5-57.1000113.8V270 L271 Y272 F276V270-H274 PolarHBondContact O-CD2 3.36Å; V270-H274 VanDerWaalsContact O-CD2 3.26Å; V270-H274 PolarHBondContact O-N 3.04Å; L271-H274 CarbonylContact O-C 3.53Å; L271-H274 WeakPolarHBondContact O-CA 3.47Å; L271-H274 PolarHBondContact O-N 3.45Å; Y272-H274 PolarHBondContact O-N 2.96Å; H274-F276 HydrophobicContact CB-CD2 4.32Å; H274-F276 PolarHBondContact O-N 3.01Å
275G96.1Very high92.5Very high0 Ų030.7 Ų30.70%017%0.171CC..THydrogen-bonded Turntrans82.74.9172.300000115.9L271 Y272 T277 N288 K303L271-G275 PolarHBondContact O-N 2.79Å; Y272-G275 PolarHBondContact O-N 3.39Å; G275-T277 PolarHBondContact O-N 3.41Å; G275-N288 WeakPolarHBondContact O-CB 3.27Å; G275-N288 PolarHBondContact O-N 2.85Å; G275-K303 WeakPolarHBondContact CA-O 3.33Å
276F96.1Very high92.3Very high18 Ų1833.1 Ų33.18%0.07919%0.188CC..  trans-71.5111.8170.4-71-101.6000109.2F174 L271 Y272 H274 L279 C285 P287 A305F174-F276 HydrophobicContact CE1-CE1 4.07Å; F174-F276 HydrophobicContact CE1-CZ 4.08Å; F174-F276 HydrophobicContact CE2-CE1 4.33Å; F174-F276 AromaticContact CZ-CE1 3.65Å; F174-F276 HydrophobicContact CZ-CE1 3.65Å; F174-F276 HydrophobicContact CZ-CZ 4.14Å; L271-F276 HydrophobicContact CB-CB 4.1Å; L271-F276 HydrophobicContact CB-CD2 3.87Å; L271-F276 HydrophobicContact CB-CG 4.05Å; L271-F276 HydrophobicContact CD2-CD2 4.14Å; L271-F276 HydrophobicContact CD2-CE2 3.95Å; L271-F276 HydrophobicContact CD2-CZ 4.48Å; L271-F276 WeakPolarHBondContact O-CB 3.42Å; L271-F276 VanDerWaalsContact O-CD2 3.31Å; L271-F276 WeakPolarHBondContact O-CD2 3.36Å; L271-F276 PolarHBondContact O-N 3.02Å; L271-F276 VanDerWaalsContact O-N 3.15Å; Y272-F276 WeakPolarHBondContact CD1-O 3.43Å; H274-F276 HydrophobicContact CB-CD2 4.32Å; H274-F276 PolarHBondContact O-N 3.01Å; F276-L279 HydrophobicContact CB-CD2 3.85Å; F276-L279 HydrophobicContact CD1-CD2 4.44Å; F276-L279 HydrophobicContact CG-CD2 4.37Å; F276-C285 HydrophobicContact CD1-CB 4.33Å; F276-C285 HydrophobicContact CE1-CB 4.29Å; F276-P287 HydrophobicContact CD2-CG 4.22Å; F276-P287 HydrophobicContact CE2-CG 3.69Å; F276-P287 HydrophobicContact CZ-CG 3.9Å; F276-A305 WeakPolarHBondContact O-CB 3.31Å
277T95.4Very high92.1Very high2 Ų234.8 Ų34.81%0.01220%0.199CC..SBendtrans-88.6-13.6-179.950.40000112.9G275 N288 L291 A305 L308 E314G275-T277 PolarHBondContact O-N 3.41Å; T277-N288 HydrophobicContact CG2-CB 3.68Å; T277-N288 PolarHBondContact OG1-ND2 3.23Å; T277-L291 HydrophobicContact CG2-CD1 3.49Å; T277-L291 VanDerWaalsContact CG2-CD1 3.49Å; T277-A305 HydrophobicContact CG2-CB 4.05Å; T277-L308 HydrophobicContact CG2-CB 4.33Å; T277-L308 HydrophobicContact CG2-CD2 4Å; T277-E314 WeakPolarHBondContact CB-O 3.5Å; T277-E314 PolarHBondContact OG1-O 3.09Å
278S92.2Very high92Very high12 Ų1233.8 Ų33.88%0.08419%0.193CC..SBendtrans-146.2140.2177.5-146.10000109.7R318S278-R318 PolarHBondContact OG-NE 2.81Å; S278-R318 PolarHBondContact OG-NH1 2.96Å; S278-R318 PolarHBondContact OG-NH2 2.98Å
279L90.3Very high91.8Very high23 Ų2337.4 Ų37.412%0.1222%0.216CC..  trans-111.9129.1-178.6-60177.9000109.6V177 C269 L271 Y272 F276 R318V177-L279 HydrophobicContact CG2-CD1 4.07Å; C269-L279 HydrophobicContact CB-CD1 3.88Å; L271-L279 HydrophobicContact CB-CD2 3.89Å; L271-L279 HydrophobicContact CD1-CD2 3.85Å; Y272-L279 HydrophobicContact CD2-CD1 4.19Å; Y272-L279 HydrophobicContact CE1-CD1 4.26Å; Y272-L279 HydrophobicContact CE1-CG 4.05Å; Y272-L279 HydrophobicContact CE2-CD1 3.42Å; Y272-L279 VanDerWaalsContact CE2-CD1 3.42Å; Y272-L279 HydrophobicContact CE2-CG 4.13Å; Y272-L279 VanDerWaalsContact CZ-CD1 3.43Å; Y272-L279 WeakPolarHBondContact OH-CD1 3.44Å; F276-L279 HydrophobicContact CB-CD2 3.85Å; F276-L279 HydrophobicContact CD1-CD2 4.44Å; F276-L279 HydrophobicContact CG-CD2 4.37Å; L279-R318 PolarHBondContact O-NH2 2.8Å
280G83.7Confident91.6Very high26 Ų2644.8 Ų44.827%0.26824%0.244SC..  trans-145.5-153.3179.500000109.6C285G280-C285 WeakPolarHBondContact CA-SG 3.4Å; G280-C285 PolarHBondContact N-SG 2.86Å
281S83Confident91.6Very high41 Ų4142 Ų4229%0.28723%0.228SC..  trans-62.9148170.748.10000110.9S172 D283 S284 C285S172-S281 CarbonylContact O-C 3.4Å; S172-S281 WeakPolarHBondContact O-CA 3.29Å; S172-S281 WeakPolarHBondContact O-CB 3.42Å; S281-D283 PolarHBondContact O-N 3.28Å; S281-S284 PolarHBondContact O-N 3.38Å; S281-S284 VanDerWaalsContact O-N 3.11Å; S281-S284 PolarHBondContact O-OG 3.5Å; S281-S284 PolarHBondContact OG-OG 3.46Å; S281-C285 PolarHBondContact O-N 2.81Å; S281-C285 PolarHBondContact O-SG 2.81Å
282K83.3Confident91.5Very high112 Ų11243.3 Ų43.349%0.48724%0.239SC..G310 helixtrans-57-33.7179.8-177.5179.6178.6-178.20112.8S172 F174 S284S172-K282 PolarHBondContact O-N 3.19Å; S172-K282 WeakPolarHBondContact OG-CB 3.44Å; F174-K282 HydrophobicContact CD1-CG 4.09Å; F174-K282 HydrophobicContact CD2-CB 4.26Å; F174-K282 HydrophobicContact CE1-CB 4.36Å; F174-K282 HydrophobicContact CE1-CG 3.77Å; F174-K282 VanDerWaalsContact CE2-CA 3.48Å; F174-K282 HydrophobicContact CE2-CB 4.07Å; F174-K282 HydrophobicContact CE2-CG 4.36Å; F174-K282 HydrophobicContact CG-CB 4.48Å; F174-K282 HydrophobicContact CZ-CB 4.11Å; F174-K282 HydrophobicContact CZ-CG 3.91Å; K282-S284 VanDerWaalsContact C-N 3.26Å; K282-S284 PolarHBondContact O-N 3.4Å
283D82.7Confident91.4Very high125 Ų12545.7 Ų45.767%0.66825%0.254SS*.G310 helixtrans-76.6-10.4-176.6-50.3-50.2000113.9S172 S281S172-D283 WeakPolarHBondContact CB-OD2 3.47Å; S172-D283 PolarHBondContact OG-OD1 2.93Å; S172-D283 PolarHBondContact OG-OD2 3.49Å; S281-D283 PolarHBondContact O-N 3.28Å
284S81.7Confident91.3Very high28 Ų2848.8 Ų48.820%0.19628%0.276CS..G310 helixtrans-119.91-176.265.20000114.1S281 K282 R318 N319S281-S284 PolarHBondContact O-N 3.38Å; S281-S284 VanDerWaalsContact O-N 3.11Å; S281-S284 PolarHBondContact O-OG 3.5Å; S281-S284 PolarHBondContact OG-OG 3.46Å; K282-S284 VanDerWaalsContact C-N 3.26Å; K282-S284 PolarHBondContact O-N 3.4Å; S284-R318 WeakPolarHBondContact O-CA 3.45Å; S284-N319 PolarHBondContact O-N 2.86Å; S284-N319 VanDerWaalsContact O-N 3.17Å
285C86.4Confident91.2Very high15 Ų1546.6 Ų46.610%0.10127%0.268CS..BIsolated β-bridgetrans-122.1129.7-174.8-65.30000111.4F174 F276 G280 S281F174-C285 HydrophobicContact CE2-CB 3.95Å; F174-C285 HydrophobicContact CZ-CB 4.15Å; F276-C285 HydrophobicContact CD1-CB 4.33Å; F276-C285 HydrophobicContact CE1-CB 4.29Å; G280-C285 WeakPolarHBondContact CA-SG 3.4Å; G280-C285 PolarHBondContact N-SG 2.86Å; S281-C285 PolarHBondContact O-N 2.81Å; S281-C285 PolarHBondContact O-SG 2.81Å
286S91.4Very high90.9Very high59 Ų5950.3 Ų50.341%0.41331%0.306SS..  trans-127.7162.6169.657.90000110.7A317S286-A317 PolarHBondContact N-O 3.47Å; S286-A317 WeakPolarHBondContact O-CB 3.39Å
287P94.1Very high90.8Very high35 Ų3558.6 Ų58.623%0.22734%0.342CS..  trans-54.7140.4170.1-25.534.9000111.4F276 P289 Y302F276-P287 HydrophobicContact CD2-CG 4.22Å; F276-P287 HydrophobicContact CE2-CG 3.69Å; F276-P287 HydrophobicContact CZ-CG 3.9Å; P287-P289 WeakPolarHBondContact O-CD 3.32Å; P287-Y302 HydrophobicContact CB-CD1 3.52Å; P287-Y302 HydrophobicContact CB-CD2 3.93Å; P287-Y302 HydrophobicContact CB-CE1 3.52Å; P287-Y302 HydrophobicContact CB-CE2 3.94Å; P287-Y302 HydrophobicContact CB-CG 3.73Å; P287-Y302 HydrophobicContact CG-CD2 4.37Å; P287-Y302 HydrophobicContact CG-CE2 4.25Å
288N95.1Very high90.5Very high0 Ų062.5 Ų62.50%038%0.382CS..  trans-67.8122.2-177.2-167.5-41.1000110.7G275 T277 W290 L291 Y302 K313 A317G275-N288 WeakPolarHBondContact O-CB 3.27Å; G275-N288 PolarHBondContact O-N 2.85Å; T277-N288 HydrophobicContact CG2-CB 3.68Å; T277-N288 PolarHBondContact OG1-ND2 3.23Å; N288-W290 PolarHBondContact O-N 3.18Å; N288-W290 VanDerWaalsContact O-N 3.1Å; N288-W290 WeakPolarHBondContact OD1-CB 3.27Å; N288-W290 PolarHBondContact OD1-N 3.44Å; N288-L291 HydrophobicContact CB-CD1 4.11Å; N288-L291 HydrophobicContact CB-CG 4.37Å; N288-L291 WeakPolarHBondContact O-CB 3.5Å; N288-L291 PolarHBondContact O-N 3.15Å; N288-Y302 WeakPolarHBondContact O-CD1 3.39Å; N288-K313 PolarHBondContact ND2-O 3.33Å; N288-A317 HydrophobicContact CB-CB 4.45Å
289P94.1Very high90.5Very high79 Ų7963.1 Ų63.151%0.51339%0.39SS..G310 helixtrans-62.3-22.2-17723.8-33.6000113.4P287 L291 A292P287-P289 WeakPolarHBondContact O-CD 3.32Å; P289-L291 PolarHBondContact O-N 3.01Å; P289-A292 WeakPolarHBondContact O-CB 3.34Å; P289-A292 PolarHBondContact O-N 3.44Å; P289-A292 VanDerWaalsContact O-N 3.16Å
290W94.8Very high90.7Very high156 Ų15668.9 Ų68.959%0.59141%0.412SS*.G310 helixtrans-74.5-9.1176.2-71.578.7000113.9N288 L308 K313N288-W290 PolarHBondContact O-N 3.18Å; N288-W290 VanDerWaalsContact O-N 3.1Å; N288-W290 WeakPolarHBondContact OD1-CB 3.27Å; N288-W290 PolarHBondContact OD1-N 3.44Å; W290-L308 HydrophobicContact CB-CD1 3.87Å; W290-K313 HydrophobicContact CB-CD 4.48Å; W290-K313 HydrophobicContact CD2-CD 3.23Å; W290-K313 HydrophobicContact CE3-CD 3.61Å; W290-K313 HydrophobicContact CG-CD 3.59Å; W290-K313 HydrophobicContact CH2-CD 4.14Å; W290-K313 HydrophobicContact CZ2-CD 3.82Å; W290-K313 HydrophobicContact CZ3-CD 4.04Å
291L96.3Very high91.2Very high4 Ų472.4 Ų72.42%0.02142%0.424CS..G310 helixtrans-100.5-2.6172.5-64.4172.6000112.3T277 N288 P289 Y302 K303 M307 L308T277-L291 HydrophobicContact CG2-CD1 3.49Å; T277-L291 VanDerWaalsContact CG2-CD1 3.49Å; N288-L291 HydrophobicContact CB-CD1 4.11Å; N288-L291 HydrophobicContact CB-CG 4.37Å; N288-L291 WeakPolarHBondContact O-CB 3.5Å; N288-L291 PolarHBondContact O-N 3.15Å; P289-L291 PolarHBondContact O-N 3.01Å; L291-Y302 HydrophobicContact CB-CD1 4.47Å; L291-Y302 WeakPolarHBondContact O-CA 3.47Å; L291-K303 HydrophobicContact CB-CB 4.23Å; L291-K303 WeakPolarHBondContact CD1-O 3.41Å; L291-K303 HydrophobicContact CD2-CB 4.03Å; L291-K303 PolarHBondContact O-N 3.44Å; L291-M307 HydrophobicContact CD2-CB 4.33Å; L291-L308 HydrophobicContact CD2-CB 4.1Å; L291-L308 HydrophobicContact CD2-CD1 4.33Å; L291-L308 HydrophobicContact CG-CD1 4.27Å
292A95.7Very high91.8Very high33 Ų3374.5 Ų74.527%0.27343%0.426SS..EExtended strand (participates in β ladder)trans-68.8138.4-178.400000111.8P289 Y300 N301 Y302P289-A292 WeakPolarHBondContact O-CB 3.34Å; P289-A292 PolarHBondContact O-N 3.44Å; P289-A292 VanDerWaalsContact O-N 3.16Å; A292-Y300 HydrophobicContact CB-CD1 3.75Å; A292-Y300 HydrophobicContact CB-CE1 4.44Å; A292-Y300 HydrophobicContact CB-CG 4.17Å; A292-N301 CarbonylContact C-O 3.53Å; A292-N301 WeakPolarHBondContact CA-O 3.27Å; A292-Y302 HydrophobicContact CB-CD1 4.03Å; A292-Y302 HydrophobicContact CB-CE1 3.66Å
293V94.8Very high92.5Very high54 Ų5473.9 Ų73.933%0.32742%0.424SS..EExtended strand (participates in β ladder)trans-132.6126.3176.4-176.50000107.7D295 Y300 N301 K303V293-D295 PolarHBondContact O-N 3.03Å; V293-Y300 WeakPolarHBondContact O-CA 3.41Å; V293-N301 PolarHBondContact N-O 3.34Å; V293-N301 PolarHBondContact O-N 2.92Å; V293-K303 HydrophobicContact CG2-CD 4.14Å; V293-K303 HydrophobicContact CG2-CG 3.92Å
294P94.8Very high93.2Very high99 Ų9969 Ų6964%0.64340%0.399SS*.EExtended strand (participates in β ladder)trans-55.4132.6175.9-2534.2000111.7Y300P294-Y300 HydrophobicContact CG-CE1 4.33Å
295D92.5Very high93.9Very high58 Ų5867.7 Ų67.731%0.3139%0.39SS..  trans-88.6-1.8-179.572.4-3000114V293 K297 G298 G299 N301V293-D295 PolarHBondContact O-N 3.03Å; D295-K297 PolarHBondContact O-N 3.32Å; D295-K297 WeakPolarHBondContact OD1-CA 3.43Å; D295-K297 PolarHBondContact OD1-N 3.26Å; D295-G298 PolarHBondContact OD1-N 2.81Å; D295-G299 VanDerWaalsContact CG-C 3.44Å; D295-G299 PolarHBondContact N-O 2.88Å; D295-G299 WeakPolarHBondContact OD1-CA 3.29Å; D295-G299 PolarHBondContact OD1-N 2.77Å; D295-G299 VanDerWaalsContact OD1-O 3.1Å; D295-G299 WeakPolarHBondContact OD2-CA 3.4Å; D295-N301 WeakPolarHBondContact CB-ND2 3.06Å
296G91.5Very high94.4Very high78 Ų7871 Ų7180%0.80440%0.401SS*.SBendtrans76.5-2.8-176.100000115.1
297K92.7Very high94.7Very high192 Ų19272.9 Ų72.984%0.83540%0.404SS*.SBendtrans-113.811.8179.3-60.3-178.2-177.5177.50113D295D295-K297 PolarHBondContact O-N 3.32Å; D295-K297 WeakPolarHBondContact OD1-CA 3.43Å; D295-K297 PolarHBondContact OD1-N 3.26Å
298G89.2Confident94.8Very high83 Ų8371.6 Ų71.686%0.85640%0.396SS*.SBendtrans88.66-178.500000114.3D295D295-G298 PolarHBondContact OD1-N 2.81Å
299G92.9Very high94.6Very high25 Ų2577 Ų7726%0.25843%0.434SS..SBendtrans-111-172.7173.800000113.1D295D295-G299 VanDerWaalsContact CG-C 3.44Å; D295-G299 PolarHBondContact N-O 2.88Å; D295-G299 WeakPolarHBondContact OD1-CA 3.29Å; D295-G299 PolarHBondContact OD1-N 2.77Å; D295-G299 VanDerWaalsContact OD1-O 3.1Å; D295-G299 WeakPolarHBondContact OD2-CA 3.4Å
300Y93.5Very high94.5Very high145 Ų14575.9 Ų75.957%0.56942%0.423SS*.EExtended strand (participates in β ladder)trans-127.4132.8176.8-65.4-85000110.7A292 V293 P294A292-Y300 HydrophobicContact CB-CD1 3.75Å; A292-Y300 HydrophobicContact CB-CE1 4.44Å; A292-Y300 HydrophobicContact CB-CG 4.17Å; V293-Y300 WeakPolarHBondContact O-CA 3.41Å; P294-Y300 HydrophobicContact CG-CE1 4.33Å
301N94.8Very high94.3Very high100 Ų10070.8 Ų70.854%0.53541%0.41SS..EExtended strand (participates in β ladder)trans-90.2155.2157.9-69.6-48.6000108.9A292 V293 D295A292-N301 CarbonylContact C-O 3.53Å; A292-N301 WeakPolarHBondContact CA-O 3.27Å; V293-N301 PolarHBondContact N-O 3.34Å; V293-N301 PolarHBondContact O-N 2.92Å; D295-N301 WeakPolarHBondContact CB-ND2 3.06Å
302Y96.5Very high93.9Very high84 Ų8474.6 Ų74.633%0.32944%0.442SS..EExtended strand (participates in β ladder)trans-117.6134.9178-65.3-95.4000110.4P287 N288 L291 A292P287-Y302 HydrophobicContact CB-CD1 3.52Å; P287-Y302 HydrophobicContact CB-CD2 3.93Å; P287-Y302 HydrophobicContact CB-CE1 3.52Å; P287-Y302 HydrophobicContact CB-CE2 3.94Å; P287-Y302 HydrophobicContact CB-CG 3.73Å; P287-Y302 HydrophobicContact CG-CD2 4.37Å; P287-Y302 HydrophobicContact CG-CE2 4.25Å; N288-Y302 WeakPolarHBondContact O-CD1 3.39Å; L291-Y302 HydrophobicContact CB-CD1 4.47Å; L291-Y302 WeakPolarHBondContact O-CA 3.47Å; A292-Y302 HydrophobicContact CB-CD1 4.03Å; A292-Y302 HydrophobicContact CB-CE1 3.66Å
303K96.6Very high93.7Very high99 Ų9974.9 Ų74.943%0.4344%0.437SS..  trans-69.6152.9169.3-69.1175.9-179.4173.50109.9G275 L291 V293 M307G275-K303 WeakPolarHBondContact CA-O 3.33Å; L291-K303 HydrophobicContact CB-CB 4.23Å; L291-K303 WeakPolarHBondContact CD1-O 3.41Å; L291-K303 HydrophobicContact CD2-CB 4.03Å; L291-K303 PolarHBondContact O-N 3.44Å; V293-K303 HydrophobicContact CG2-CD 4.14Å; V293-K303 HydrophobicContact CG2-CG 3.92Å; K303-M307 HydrophobicContact CB-CB 4.24Å; K303-M307 HydrophobicContact CB-SD 4.05Å; K303-M307 HydrophobicContact CD-CE 4.49Å; K303-M307 HydrophobicContact CD-SD 4.3Å; K303-M307 HydrophobicContact CG-SD 4.29Å
304P97Very high93.6Very high24 Ų2472.8 Ų72.816%0.15642%0.424CS..  trans-56.7150.4172.5-28.336.5000113.3Y272 Y306 M307Y272-P304 CarbonylContact O-C 3.53Å; Y272-P304 VanDerWaalsContact O-CA 3.32Å; Y272-P304 WeakPolarHBondContact O-CA 3.49Å; P304-Y306 VanDerWaalsContact C-N 3.27Å; P304-Y306 HydrophobicContact CB-CD1 3.62Å; P304-Y306 HydrophobicContact CB-CE1 3.21Å; P304-Y306 HydrophobicContact CB-CE2 4.29Å; P304-Y306 HydrophobicContact CB-CG 4.32Å; P304-Y306 HydrophobicContact CG-CE1 3.86Å; P304-Y306 PolarHBondContact O-N 3Å; P304-M307 HydrophobicContact CB-CG 4.5Å; P304-M307 VanDerWaalsContact O-CB 3.31Å; P304-M307 WeakPolarHBondContact O-CB 3.21Å; P304-M307 PolarHBondContact O-N 3.28Å
305A97.7Very high93.2Very high0 Ų071.7 Ų71.70%041%0.407CS..G310 helixtrans-56.3-37.6-176.400000113Y254 W258 Y272 F276 T277 M307 L308Y254-A305 WeakPolarHBondContact OH-CB 3.24Å; Y254-A305 PolarHBondContact OH-O 3.06Å; W258-A305 HydrophobicContact CH2-CB 4.23Å; W258-A305 HydrophobicContact CZ2-CB 3.51Å; Y272-A305 HydrophobicContact CD1-CB 3.76Å; Y272-A305 HydrophobicContact CG-CB 4.36Å; Y272-A305 WeakPolarHBondContact O-CB 3.37Å; Y272-A305 PolarHBondContact O-N 2.89Å; F276-A305 WeakPolarHBondContact O-CB 3.31Å; T277-A305 HydrophobicContact CG2-CB 4.05Å; A305-M307 PolarHBondContact O-N 3.49Å; A305-M307 VanDerWaalsContact O-N 3.09Å; A305-L308 WeakPolarHBondContact O-CB 3.49Å; A305-L308 PolarHBondContact O-N 3.09Å
306Y97Very high92.7Very high85 Ų8574.2 Ų74.233%0.33342%0.42SS..G310 helixtrans-63.7-13.1177.164.4-103.7000113.7Y268 P304 L308Y268-Y306 WeakPolarHBondContact OH-CE1 3.18Å; P304-Y306 VanDerWaalsContact C-N 3.27Å; P304-Y306 HydrophobicContact CB-CD1 3.62Å; P304-Y306 HydrophobicContact CB-CE1 3.21Å; P304-Y306 HydrophobicContact CB-CE2 4.29Å; P304-Y306 HydrophobicContact CB-CG 4.32Å; P304-Y306 HydrophobicContact CG-CE1 3.86Å; P304-Y306 PolarHBondContact O-N 3Å; Y306-L308 VanDerWaalsContact C-N 3.34Å
307M96.6Very high92.1Very high97 Ų9771 Ų7148%0.47839%0.386SS..G310 helixtrans-892.9175.4-56.1-168.477.700113.3L291 K303 P304 A305 S309L291-M307 HydrophobicContact CD2-CB 4.33Å; K303-M307 HydrophobicContact CB-CB 4.24Å; K303-M307 HydrophobicContact CB-SD 4.05Å; K303-M307 HydrophobicContact CD-CE 4.49Å; K303-M307 HydrophobicContact CD-SD 4.3Å; K303-M307 HydrophobicContact CG-SD 4.29Å; P304-M307 HydrophobicContact CB-CG 4.5Å; P304-M307 VanDerWaalsContact O-CB 3.31Å; P304-M307 WeakPolarHBondContact O-CB 3.21Å; P304-M307 PolarHBondContact O-N 3.28Å; A305-M307 PolarHBondContact O-N 3.49Å; A305-M307 VanDerWaalsContact O-N 3.09Å; M307-S309 PolarHBondContact O-N 2.96Å
308L96.3Very high91.4Very high9 Ų965.7 Ų65.75%0.04736%0.36CS..  trans-68.3113.6174.9-176.373.6000109.1Y254 T277 W290 L291 A305 Y306 D310 K313 E314Y254-L308 HydrophobicContact CE1-CB 3.85Å; Y254-L308 HydrophobicContact CE1-CD2 4.15Å; T277-L308 HydrophobicContact CG2-CB 4.33Å; T277-L308 HydrophobicContact CG2-CD2 4Å; W290-L308 HydrophobicContact CB-CD1 3.87Å; L291-L308 HydrophobicContact CD2-CB 4.1Å; L291-L308 HydrophobicContact CD2-CD1 4.33Å; L291-L308 HydrophobicContact CG-CD1 4.27Å; A305-L308 WeakPolarHBondContact O-CB 3.49Å; A305-L308 PolarHBondContact O-N 3.09Å; Y306-L308 VanDerWaalsContact C-N 3.34Å; L308-D310 WeakPolarHBondContact CD2-O 3.3Å; L308-K313 HydrophobicContact CD1-CB 4.37Å; L308-K313 HydrophobicContact CD2-CB 4.43Å; L308-E314 HydrophobicContact CD2-CB 4.32Å
309S91.6Very high90Very high114 Ų11470.9 Ų70.980%0.79737%0.369SS*.SBendtrans-75.3-28.9-175.553.50000113.9M307 P311M307-S309 PolarHBondContact O-N 2.96Å; S309-P311 WeakPolarHBondContact O-CD 3.46Å
310D92.5Very high89.9Confident54 Ų5473.2 Ų73.229%0.28937%0.374SS..  trans-112.4103178.8-175.8-2.7000111.2L308 A312 K313L308-D310 WeakPolarHBondContact CD2-O 3.3Å; D310-A312 PolarHBondContact O-N 3.16Å; D310-A312 VanDerWaalsContact OD1-CB 3.27Å; D310-A312 WeakPolarHBondContact OD1-CB 3.34Å; D310-A312 PolarHBondContact OD1-N 3.24Å; D310-K313 HydrophobicContact CB-CD 4.1Å; D310-K313 HydrophobicContact CB-CG 3.98Å; D310-K313 WeakPolarHBondContact O-CB 3.17Å; D310-K313 PolarHBondContact O-N 3.29Å; D310-K313 IonicContact OD2-NZ 2.73Å; D310-K313 PolarHBondContact OD2-NZ 3.12Å
311P89.1Confident89.7Confident49 Ų4969.4 Ų69.432%0.31836%0.364SS..G310 helixtrans-53.2-30174.8-31.539000115.1Y254 S309 K313 E314Y254-P311 HydrophobicContact CG-CB 4.48Å; S309-P311 WeakPolarHBondContact O-CD 3.46Å; P311-K313 PolarHBondContact O-N 2.91Å; P311-K313 VanDerWaalsContact O-N 3.09Å; P311-E314 WeakPolarHBondContact O-CB 3.42Å; P311-E314 PolarHBondContact O-N 3.48Å; P311-E314 VanDerWaalsContact O-N 3.07Å
312A89.4Confident89.4Confident85 Ų8567.7 Ų67.770%0.70236%0.355SS*.G310 helixtrans-63.5-18.7179.100000112.1D310D310-A312 PolarHBondContact O-N 3.16Å; D310-A312 VanDerWaalsContact OD1-CB 3.27Å; D310-A312 WeakPolarHBondContact OD1-CB 3.34Å; D310-A312 PolarHBondContact OD1-N 3.24Å
313K91.8Very high89Confident39 Ų3966.8 Ų66.817%0.1736%0.356CS..G310 helixtrans-90.90.6179.8-55.8-166.9171.991.60113.8N288 W290 L308 D310 P311 R315 L316N288-K313 PolarHBondContact ND2-O 3.33Å; W290-K313 HydrophobicContact CB-CD 4.48Å; W290-K313 HydrophobicContact CD2-CD 3.23Å; W290-K313 HydrophobicContact CE3-CD 3.61Å; W290-K313 HydrophobicContact CG-CD 3.59Å; W290-K313 HydrophobicContact CH2-CD 4.14Å; W290-K313 HydrophobicContact CZ2-CD 3.82Å; W290-K313 HydrophobicContact CZ3-CD 4.04Å; L308-K313 HydrophobicContact CD1-CB 4.37Å; L308-K313 HydrophobicContact CD2-CB 4.43Å; D310-K313 HydrophobicContact CB-CD 4.1Å; D310-K313 HydrophobicContact CB-CG 3.98Å; D310-K313 WeakPolarHBondContact O-CB 3.17Å; D310-K313 PolarHBondContact O-N 3.29Å; D310-K313 IonicContact OD2-NZ 2.73Å; D310-K313 PolarHBondContact OD2-NZ 3.12Å; P311-K313 PolarHBondContact O-N 2.91Å; P311-K313 VanDerWaalsContact O-N 3.09Å; K313-R315 VanDerWaalsContact C-N 3.25Å; K313-R315 PolarHBondContact O-N 3.37Å; K313-L316 HydrophobicContact CB-CD1 3.82Å; K313-L316 HydrophobicContact CB-CG 4.45Å; K313-L316 HydrophobicContact CD-CD1 4.33Å; K313-L316 HydrophobicContact CG-CD1 3.81Å; K313-L316 PolarHBondContact O-N 3.32Å
314E92.6Very high88.5Confident10 Ų1064.8 Ų64.85%0.04735%0.351CS..THydrogen-bonded Turntrans-54.7-39.7-175.5177.7-175.3172.900112.9K138 R221 Y254 T277 L308 P311K138-E314 IonicContact NZ-OE1 2.66Å; K138-E314 PolarHBondContact NZ-OE1 3.11Å; R221-E314 IonicContact CZ-OE1 2.87Å; R221-E314 IonicContact CZ-OE2 2.67Å; R221-E314 IonicContact NH1-OE2 3.42Å; R221-E314 PolarHBondContact NH1-OE2 3.5Å; R221-E314 IonicContact NH2-OE1 2.7Å; R221-E314 PolarHBondContact NH2-OE1 3.34Å; R221-E314 IonicContact NH2-OE2 3.72Å; R221-E314 PolarHBondContact NH2-OE2 3.37Å; Y254-E314 HydrophobicContact CD2-CB 4.2Å; Y254-E314 HydrophobicContact CD2-CG 3.72Å; Y254-E314 WeakPolarHBondContact CD2-OE2 3.21Å; Y254-E314 HydrophobicContact CE2-CB 4.26Å; Y254-E314 HydrophobicContact CE2-CG 3.6Å; T277-E314 WeakPolarHBondContact CB-O 3.5Å; T277-E314 PolarHBondContact OG1-O 3.09Å; L308-E314 HydrophobicContact CD2-CB 4.32Å; P311-E314 WeakPolarHBondContact O-CB 3.42Å; P311-E314 PolarHBondContact O-N 3.48Å; P311-E314 VanDerWaalsContact O-N 3.07Å
315R86.7Confident87.9Confident75 Ų7567.5 Ų67.528%0.28336%0.364SS..THydrogen-bonded Turntrans-104.64.7-172.5-66.3-172.9175.1-134.23.7114.5D224 K313 A317 R318D224-R315 IonicContact OD1-CZ 3.97Å; D224-R315 IonicContact OD1-NE 3.26Å; D224-R315 IonicContact OD1-NH2 2.88Å; D224-R315 PolarHBondContact OD1-NH2 3.02Å; D224-R315 IonicContact OD2-NH2 3.47Å; K313-R315 VanDerWaalsContact C-N 3.25Å; K313-R315 PolarHBondContact O-N 3.37Å; R315-A317 PolarHBondContact O-N 3.2Å; R315-R318 PolarHBondContact O-N 3.2Å; R315-R318 VanDerWaalsContact O-N 3.14Å
316L81.2Confident87.2Confident112 Ų11272.3 Ų72.359%0.58639%0.391SS*.THydrogen-bonded Turntrans-67.4-18.4-177.5-69179.3000114.2K313 R318K313-L316 HydrophobicContact CB-CD1 3.82Å; K313-L316 HydrophobicContact CB-CG 4.45Å; K313-L316 HydrophobicContact CD-CD1 4.33Å; K313-L316 HydrophobicContact CG-CD1 3.81Å; K313-L316 PolarHBondContact O-N 3.32Å; L316-R318 VanDerWaalsContact C-N 3.32Å
317A79.4Confident86.5Confident10 Ų1071.3 Ų71.38%0.08340%0.395CS..THydrogen-bonded Turntrans-9312.3176.800000113.5S286 N288 R315S286-A317 PolarHBondContact N-O 3.47Å; S286-A317 WeakPolarHBondContact O-CB 3.39Å; N288-A317 HydrophobicContact CB-CB 4.45Å; R315-A317 PolarHBondContact O-N 3.2Å
318R76.3Confident85.6Confident80 Ų8069.2 Ų69.230%0.30239%0.388SS..BIsolated β-bridgetrans-96.4124.8168-74.9-172.5169.9165-2.3109.2S278 L279 S284 R315 L316S278-R318 PolarHBondContact OG-NE 2.81Å; S278-R318 PolarHBondContact OG-NH1 2.96Å; S278-R318 PolarHBondContact OG-NH2 2.98Å; L279-R318 PolarHBondContact O-NH2 2.8Å; S284-R318 WeakPolarHBondContact O-CA 3.45Å; R315-R318 PolarHBondContact O-N 3.2Å; R315-R318 VanDerWaalsContact O-N 3.14Å; L316-R318 VanDerWaalsContact C-N 3.32Å
319N60.6Low84.7Confident193 Ų19374.6 Ų74.6100%1.03242%0.419SS*.  trans-72.50169.1-66.4-20.1000111.1S284S284-N319 PolarHBondContact O-N 2.86Å; S284-N319 VanDerWaalsContact O-N 3.17Å

Retrieved 319 of 319 residues in 705.7 ms (Link to these results)

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