A0A096MH60_POEFO Loading...

Saccharopine dehydrogenase-like oxidoreductase

AlphaFold DB , UniProt , Accession A0A096MH60, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 427 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
1M54.6Low74.5Confident162 Ų16291.5 Ų91.580%0.79847%0.47SS*.  0122.40-71.7-167.5-158.400109R3 E37M1-R3 PolarHBondContact O-N 2.96Å; M1-E37 CarbonylContact C-O 3.59Å; M1-E37 WeakPolarHBondContact CA-O 3.46Å
2A56.6Low76.3Confident3 Ų385.8 Ų85.83%0.02544%0.439CS..  trans-88.445.9177.200000112.2V4 T34 E37A2-V4 PolarHBondContact O-N 3.42Å; A2-T34 HydrophobicContact CB-CG2 4.07Å; A2-T34 WeakPolarHBondContact CB-O 3.48Å; A2-E37 PolarHBondContact N-O 2.76Å
3R65.3Low77.9Confident172 Ų17280.8 Ų80.865%0.64941%0.412SS*.  trans-69.8127.6164.8-179.2172.6168.4160.4-3.2106.6M1 E5 N390M1-R3 PolarHBondContact O-N 2.96Å; R3-E5 HydrophobicContact CG-CG 4.45Å; R3-E5 IonicContact CZ-OE1 3.9Å; R3-E5 IonicContact NE-OE1 3.81Å; R3-E5 PolarHBondContact NE-OE1 3.26Å; R3-E5 IonicContact NH2-OE1 3.25Å; R3-E5 PolarHBondContact NH2-OE1 3.24Å; R3-N390 VanDerWaalsContact O-CG 3.25Å; R3-N390 PolarHBondContact O-ND2 3.21Å; R3-N390 PolarHBondContact O-OD1 3.23Å
4V70.8Confident79.3Confident14 Ų1475.1 Ų75.19%0.08538%0.383CS..  trans-114.1122.1178.9-177.10000108.9A2 T6 H13 S42 L43 L389 N390A2-V4 PolarHBondContact O-N 3.42Å; V4-T6 HydrophobicContact CG1-CG2 4.5Å; V4-H13 VanDerWaalsContact CG1-CD2 3.41Å; V4-H13 WeakPolarHBondContact CG1-CD2 3.42Å; V4-S42 PolarHBondContact N-OG 3.49Å; V4-S42 VanDerWaalsContact N-OG 3.13Å; V4-L43 HydrophobicContact CG2-CB 4.03Å; V4-L43 HydrophobicContact CG2-CD1 3.6Å; V4-L43 HydrophobicContact CG2-CG 4.42Å; V4-L389 HydrophobicContact CG1-CB 4.22Å; V4-L389 HydrophobicContact CG1-CD1 4.05Å; V4-N390 WeakPolarHBondContact CA-OD1 3.37Å
5E66.6Low80.6Confident118 Ų11870.1 Ų70.155%0.55136%0.357SS*.  trans-111.586.8175.2-63-170.516900108.8R3 N390R3-E5 HydrophobicContact CG-CG 4.45Å; R3-E5 IonicContact CZ-OE1 3.9Å; R3-E5 IonicContact NE-OE1 3.81Å; R3-E5 PolarHBondContact NE-OE1 3.26Å; R3-E5 IonicContact NH2-OE1 3.25Å; R3-E5 PolarHBondContact NH2-OE1 3.24Å; E5-N390 PolarHBondContact N-OD1 3.37Å
6T69.6Low81.7Confident49 Ų4965.7 Ų65.730%0.30134%0.335SS..  trans-115.5143.8171.7-167.50000110.8V4 S8 H13V4-T6 HydrophobicContact CG1-CG2 4.5Å; T6-S8 VanDerWaalsContact C-N 3.32Å; T6-S8 WeakPolarHBondContact OG1-CB 3.46Å; T6-S8 PolarHBondContact OG1-N 3.26Å; T6-H13 WeakPolarHBondContact CG2-CD2 3.44Å; T6-H13 VanDerWaalsContact CG2-NE2 3.34Å; T6-H13 WeakPolarHBondContact CG2-NE2 3.46Å
7T74Confident82.7Confident147 Ų14762.1 Ų62.190%0.90232%0.316SS*.  trans-923.8170.658.60000112.4
8S84.1Confident83.6Confident41 Ų4159.2 Ų59.229%0.28731%0.305SS..  trans-75.7136.5-178.5-176.70000111.8T6 R10T6-S8 VanDerWaalsContact C-N 3.32Å; T6-S8 WeakPolarHBondContact OG1-CB 3.46Å; T6-S8 PolarHBondContact OG1-N 3.26Å; S8-R10 PolarHBondContact O-N 2.73Å; S8-R10 WeakPolarHBondContact OG-CB 3.41Å; S8-R10 VanDerWaalsContact OG-CG 3.31Å; S8-R10 WeakPolarHBondContact OG-CG 3.43Å; S8-R10 PolarHBondContact OG-N 2.84Å
9N87.9Confident84.4Confident169 Ų16956.1 Ų56.190%0.90429%0.288SS*.  trans-84.78173-68-24.9000113.3
10R94.6Very high85Confident67 Ų6755.1 Ų55.125%0.25329%0.287SS..  trans-68.7140.6179.5-67.8-177.4-172.1-128.9-10.8110.4S8 Y12 C92 A95 V96 N119 G120S8-R10 PolarHBondContact O-N 2.73Å; S8-R10 WeakPolarHBondContact OG-CB 3.41Å; S8-R10 VanDerWaalsContact OG-CG 3.31Å; S8-R10 WeakPolarHBondContact OG-CG 3.43Å; S8-R10 PolarHBondContact OG-N 2.84Å; R10-Y12 VanDerWaalsContact C-N 3.26Å; R10-Y12 PolarHBondContact O-N 3.06Å; R10-C92 PolarHBondContact NH1-O 3.13Å; R10-A95 WeakPolarHBondContact CD-O 3.31Å; R10-A95 PolarHBondContact NH1-O 3.41Å; R10-V96 HydrophobicContact CB-CG2 4.04Å; R10-N119 PolarHBondContact NH1-O 3.05Å; R10-N119 PolarHBondContact NH2-O 2.97Å; R10-G120 PolarHBondContact NH2-O 3.04Å; R10-G120 VanDerWaalsContact NH2-O 3.09Å
11P95.1Very high85.6Confident64 Ų6453.8 Ų53.842%0.41629%0.287SS..SBendtrans-55.8-38.2-177.9-26.933.6000114.2K44 Q94P11-K44 WeakPolarHBondContact O-CB 3.47Å; P11-K44 WeakPolarHBondContact O-CD 3.47Å; P11-Q94 WeakPolarHBondContact CD-O 3.42Å; P11-Q94 HydrophobicContact CG-CB 4.41Å
12Y96.9Very high87.5Confident24 Ų2448 Ų489%0.09426%0.258CS..EExtended strand (participates in β ladder)trans-120.5134.2-174.7-47.5-68.3000111.7R10 V15 A46 D76 I78 Q94 A95 V96R10-Y12 VanDerWaalsContact C-N 3.26Å; R10-Y12 PolarHBondContact O-N 3.06Å; Y12-V15 HydrophobicContact CD2-CG2 3.97Å; Y12-V15 HydrophobicContact CG-CG2 4.17Å; Y12-A46 HydrophobicContact CD1-CB 3.8Å; Y12-A46 HydrophobicContact CD2-CB 4.09Å; Y12-A46 HydrophobicContact CE1-CB 3.8Å; Y12-A46 HydrophobicContact CE2-CB 4.1Å; Y12-A46 HydrophobicContact CG-CB 3.95Å; Y12-D76 HydrophobicContact CE1-CB 3.87Å; Y12-D76 WeakPolarHBondContact CE1-OD2 3.3Å; Y12-D76 WeakPolarHBondContact OH-CB 3.34Å; Y12-D76 VanDerWaalsContact OH-CG 3.29Å; Y12-D76 PolarHBondContact OH-OD2 3.05Å; Y12-I78 HydrophobicContact CD2-CD1 4.1Å; Y12-I78 HydrophobicContact CE2-CD1 3.77Å; Y12-Q94 HydrophobicContact CD2-CB 3.84Å; Y12-Q94 WeakPolarHBondContact CD2-O 3.25Å; Y12-Q94 HydrophobicContact CE2-CB 4Å; Y12-Q94 PolarHBondContact N-O 3.4Å; Y12-A95 CarbonylContact O-C 3.49Å; Y12-A95 WeakPolarHBondContact O-CA 3.34Å; Y12-V96 PolarHBondContact O-N 2.83Å
13H96.1Very high89.5Confident21 Ų2149.3 Ų49.310%0.09727%0.265CS..EExtended strand (participates in β ladder)trans-69.9-43.7168.2-54.697.5000110.2V4 T6 S42 L43 K44 V96 I97 L389V4-H13 VanDerWaalsContact CG1-CD2 3.41Å; V4-H13 WeakPolarHBondContact CG1-CD2 3.42Å; T6-H13 WeakPolarHBondContact CG2-CD2 3.44Å; T6-H13 VanDerWaalsContact CG2-NE2 3.34Å; T6-H13 WeakPolarHBondContact CG2-NE2 3.46Å; H13-S42 PolarHBondContact CE1-O 2.97Å; H13-L43 HydrophobicContact CB-CD1 3.81Å; H13-K44 WeakPolarHBondContact CB-O 3.02Å; H13-K44 PolarHBondContact N-O 2.9Å; H13-K44 PolarHBondContact ND1-N 3.06Å; H13-K44 PolarHBondContact ND1-O 3.06Å; H13-V96 WeakPolarHBondContact O-CB 3.32Å; H13-I97 PolarHBondContact O-N 3.36Å; H13-L389 HydrophobicContact CB-CD1 3.95Å
14L97.7Very high91Very high0 Ų041.2 Ų41.20%024%0.235CC..EExtended strand (participates in β ladder)trans-126.8136.3-178.5-54.7178.6000110.4V31 L43 W45 A46 I97 L99 A385 L389L14-V31 HydrophobicContact CD1-CG1 4.4Å; L14-V31 HydrophobicContact CD1-CG2 4.41Å; L14-L43 HydrophobicContact CD1-CD1 3.96Å; L14-L43 HydrophobicContact CD1-CD2 4.15Å; L14-L43 HydrophobicContact CG-CD1 4.07Å; L14-W45 HydrophobicContact CB-CB 4.05Å; L14-W45 CarbonylContact O-C 3.55Å; L14-W45 WeakPolarHBondContact O-CA 3.46Å; L14-W45 WeakPolarHBondContact O-CB 3.39Å; L14-A46 PolarHBondContact O-N 3.31Å; L14-I97 CarbonylContact C-O 3.57Å; L14-I97 WeakPolarHBondContact CA-O 3.5Å; L14-I97 HydrophobicContact CD2-CB 3.85Å; L14-I97 HydrophobicContact CD2-CD1 4.02Å; L14-I97 HydrophobicContact CD2-CG1 4.18Å; L14-L99 HydrophobicContact CD1-CD1 4.33Å; L14-A385 HydrophobicContact CD2-CB 3.85Å; L14-L389 HydrophobicContact CD2-CD1 3.89Å; L14-L389 HydrophobicContact CG-CD1 4.34Å
15V98.8Very high92.3Very high0 Ų043 Ų430%024%0.243CC..EExtended strand (participates in β ladder)trans-122.9122.6164.6176.10000108.9Y12 F17 A46 A48 I78 M91 A95 I97 V98 L99Y12-V15 HydrophobicContact CD2-CG2 3.97Å; Y12-V15 HydrophobicContact CG-CG2 4.17Å; V15-F17 PolarHBondContact O-N 3.41Å; V15-A46 WeakPolarHBondContact CA-O 3.49Å; V15-A46 HydrophobicContact CG2-CB 4.3Å; V15-A48 HydrophobicContact CG1-CB 3.59Å; V15-I78 HydrophobicContact CG1-CD1 4.19Å; V15-I78 HydrophobicContact CG2-CD1 4.13Å; V15-M91 HydrophobicContact CG1-CG 3.82Å; V15-M91 HydrophobicContact CG1-SD 3.92Å; V15-A95 HydrophobicContact CB-CB 3.92Å; V15-A95 HydrophobicContact CG2-CB 3.49Å; V15-A95 VanDerWaalsContact CG2-CB 3.49Å; V15-I97 PolarHBondContact N-O 2.83Å; V15-V98 WeakPolarHBondContact O-CA 3.15Å; V15-L99 PolarHBondContact O-N 3.1Å
16I98.9Very high93.8Very high0 Ų038.1 Ų38.10%022%0.22CC..EExtended strand (participates in β ladder)trans-89.7102.6179.1-51.9166000108.4A19 V27 V28 V31 W45 A46 A48 L99I16-A19 HydrophobicContact CB-CB 4.28Å; I16-A19 HydrophobicContact CG2-CB 3.97Å; I16-A19 WeakPolarHBondContact O-CB 3.48Å; I16-V27 HydrophobicContact CD1-CG1 4.27Å; I16-V27 HydrophobicContact CG1-CG1 4.32Å; I16-V27 HydrophobicContact CG2-CB 4.3Å; I16-V27 HydrophobicContact CG2-CG1 3.92Å; I16-V28 HydrophobicContact CD1-CB 4.35Å; I16-V28 HydrophobicContact CD1-CG2 3.85Å; I16-V28 HydrophobicContact CG2-CG2 4.36Å; I16-V31 HydrophobicContact CD1-CB 3.96Å; I16-V31 HydrophobicContact CD1-CG1 4.41Å; I16-V31 HydrophobicContact CD1-CG2 3.74Å; I16-V31 HydrophobicContact CG1-CG2 4.3Å; I16-W45 HydrophobicContact CD1-CE3 3.78Å; I16-W45 HydrophobicContact CD1-CZ3 3.68Å; I16-A46 PolarHBondContact N-O 3.07Å; I16-A48 PolarHBondContact O-N 2.94Å; I16-L99 HydrophobicContact CG1-CD1 4.27Å
17F98.9Very high95.2Very high4 Ų435.8 Ų35.82%0.01821%0.205CC..EExtended strand (participates in β ladder)trans-93.3129.6179.7-174.9-127.3000111.3V15 A48 A80 V82 L88 M91 V98 L99 C101 V102 V112V15-F17 PolarHBondContact O-N 3.41Å; F17-A48 HydrophobicContact CB-CB 4.46Å; F17-A48 HydrophobicContact CD2-CB 3.85Å; F17-A80 HydrophobicContact CD2-CB 4.29Å; F17-A80 HydrophobicContact CE2-CB 3.72Å; F17-A80 WeakPolarHBondContact CE2-O 3.37Å; F17-A80 HydrophobicContact CZ-CB 4.43Å; F17-V82 HydrophobicContact CE1-CG1 3.66Å; F17-V82 HydrophobicContact CZ-CG1 3.89Å; F17-L88 HydrophobicContact CE1-CD2 3.82Å; F17-L88 HydrophobicContact CE2-CD2 4.44Å; F17-L88 HydrophobicContact CZ-CD2 3.7Å; F17-M91 HydrophobicContact CB-CE 4.02Å; F17-M91 HydrophobicContact CB-SD 3.9Å; F17-M91 HydrophobicContact CD1-CE 4.15Å; F17-M91 HydrophobicContact CD2-CE 4.06Å; F17-M91 HydrophobicContact CD2-SD 3.57Å; F17-M91 VanDerWaalsContact CD2-SD 3.57Å; F17-M91 HydrophobicContact CE2-SD 4.29Å; F17-M91 HydrophobicContact CG-CE 3.81Å; F17-M91 HydrophobicContact CG-SD 3.81Å; F17-V98 HydrophobicContact CB-CG1 3.95Å; F17-L99 PolarHBondContact N-O 2.86Å; F17-C101 WeakPolarHBondContact O-CA 3.32Å; F17-C101 WeakPolarHBondContact O-CB 3.37Å; F17-C101 PolarHBondContact O-N 2.86Å; F17-V102 HydrophobicContact CD1-CB 4.47Å; F17-V102 HydrophobicContact CD1-CG2 3.47Å; F17-V102 VanDerWaalsContact CD1-CG2 3.47Å; F17-V102 HydrophobicContact CE1-CB 4.37Å; F17-V102 HydrophobicContact CE1-CG2 3.51Å; F17-V102 HydrophobicContact CG-CG2 4.08Å; F17-V102 HydrophobicContact CZ-CG2 4.13Å; F17-V112 HydrophobicContact CD1-CG1 4.08Å; F17-V112 HydrophobicContact CD1-CG2 3.81Å; F17-V112 HydrophobicContact CE1-CG2 3.55Å
18G98.4Very high96.4Very high10 Ų1028.8 Ų28.810%0.10316%0.162CC..THydrogen-bonded Turntrans8521-167.500000112.9S20 G21 A48G18-S20 PolarHBondContact O-N 3.03Å; G18-S20 VanDerWaalsContact O-N 3.14Å; G18-G21 PolarHBondContact O-N 3.1Å; G18-A48 PolarHBondContact N-O 3.2Å
19A98.3Very high97Very high0 Ų027.6 Ų27.60%015%0.152CC..THydrogen-bonded Turntrans-57.4-27.4-177.800000114I16 G21 G24 Q25 V28 V47 A48 L55I16-A19 HydrophobicContact CB-CB 4.28Å; I16-A19 HydrophobicContact CG2-CB 3.97Å; I16-A19 WeakPolarHBondContact O-CB 3.48Å; A19-G21 VanDerWaalsContact C-N 3.32Å; A19-G24 CarbonylContact O-C 3.58Å; A19-Q25 PolarHBondContact O-N 2.94Å; A19-V28 HydrophobicContact CB-CG2 3.72Å; A19-V47 HydrophobicContact CB-CB 3.81Å; A19-V47 HydrophobicContact CB-CG1 4.05Å; A19-A48 PolarHBondContact N-O 3.07Å; A19-L55 HydrophobicContact CB-CD2 3.68Å
20S97.4Very high97.5Very high36 Ų3620.3 Ų20.325%0.25211%0.113SC..THydrogen-bonded Turntrans-80.8-8.217566.40000114.7G18 Q25G18-S20 PolarHBondContact O-N 3.03Å; G18-S20 VanDerWaalsContact O-N 3.14Å; S20-Q25 PolarHBondContact O-NE2 3.43Å; S20-Q25 VanDerWaalsContact O-NE2 3.11Å
21G96.4Very high97.6Very high29 Ų2917.1 Ų17.130%0.29910%0.101SC..SBendtrans-73.4164.4175.400000111.9G18 A19 T23 G24 Q25G18-G21 PolarHBondContact O-N 3.1Å; A19-G21 VanDerWaalsContact C-N 3.32Å; G21-T23 PolarHBondContact O-N 2.92Å; G21-G24 PolarHBondContact O-N 2.83Å; G21-G24 VanDerWaalsContact O-N 3.16Å; G21-Q25 WeakPolarHBondContact O-CG 3.3Å; G21-Q25 PolarHBondContact O-N 3.46Å; G21-Q25 VanDerWaalsContact O-N 3.07Å
22F96.2Very high97.6Very high41 Ų4114.1 Ų14.118%0.188%0.081CC..Hα-helixtrans-55.6-56.5-174.1-169.6-92.8000112.7G24 F26 H196 A327 P329 Y374F22-G24 VanDerWaalsContact C-N 3.34Å; F22-G24 PolarHBondContact O-N 2.92Å; F22-F26 HydrophobicContact CD1-CE2 4.09Å; F22-F26 AromaticContact CE1-CE2 3.72Å; F22-F26 HydrophobicContact CE1-CE2 3.72Å; F22-F26 HydrophobicContact CE1-CZ 4.4Å; F22-F26 AromaticContact CZ-CE2 3.97Å; F22-F26 HydrophobicContact CZ-CE2 3.97Å; F22-F26 HydrophobicContact CZ-CZ 4.3Å; F22-F26 WeakPolarHBondContact O-CD2 3.37Å; F22-F26 WeakPolarHBondContact O-CE2 3.34Å; F22-H196 HydrophobicContact CD1-CB 3.55Å; F22-H196 AromaticContact CD1-CD2 3.76Å; F22-H196 AromaticContact CD1-CG 3.64Å; F22-H196 AromaticContact CD2-CD2 3.39Å; F22-H196 WeakPolarHBondContact CD2-CD2 3.41Å; F22-H196 AromaticContact CD2-NE2 3.88Å; F22-H196 HydrophobicContact CE1-CB 3.86Å; F22-H196 AromaticContact CE2-CD2 3.99Å; F22-H196 HydrophobicContact CG-CB 4.01Å; F22-H196 AromaticContact CG-CD2 3.26Å; F22-H196 WeakPolarHBondContact CG-CD2 3.38Å; F22-H196 AromaticContact CG-CG 3.55Å; F22-H196 AromaticContact CG-NE2 3.76Å; F22-A327 WeakPolarHBondContact CE2-O 3.41Å; F22-P329 HydrophobicContact CE1-CG 4.48Å; F22-P329 HydrophobicContact CZ-CG 4.46Å; F22-Y374 AromaticContact CD1-CD1 3.73Å; F22-Y374 HydrophobicContact CD1-CD1 3.73Å; F22-Y374 AromaticContact CD1-CE1 3.33Å; F22-Y374 HydrophobicContact CD1-CE1 3.33Å; F22-Y374 AromaticContact CD1-CZ 3.88Å; F22-Y374 AromaticContact CE1-CD1 3.54Å; F22-Y374 HydrophobicContact CE1-CD1 3.54Å; F22-Y374 HydrophobicContact CE1-CD2 4.18Å; F22-Y374 AromaticContact CE1-CE1 3.35Å; F22-Y374 HydrophobicContact CE1-CE1 3.35Å; F22-Y374 AromaticContact CE1-CE2 3.99Å; F22-Y374 HydrophobicContact CE1-CE2 3.99Å; F22-Y374 AromaticContact CE1-CG 3.97Å; F22-Y374 HydrophobicContact CE1-CG 3.97Å; F22-Y374 AromaticContact CE1-CZ 3.59Å
23T96.6Very high97.3Very high30 Ų3018.8 Ų18.818%0.18410%0.099CC..Hα-helixtrans-67.6-34.6176.3-50.10000112.5G21 Q25 F26 V27 I126 Y374 T377G21-T23 PolarHBondContact O-N 2.92Å; T23-Q25 PolarHBondContact O-N 2.97Å; T23-F26 PolarHBondContact O-N 3.17Å; T23-F26 VanDerWaalsContact O-N 3.11Å; T23-V27 PolarHBondContact O-N 3.26Å; T23-I126 HydrophobicContact CG2-CD1 3.4Å; T23-Y374 HydrophobicContact CG2-CD1 4.46Å; T23-T377 HydrophobicContact CG2-CG2 4.16Å
24G98.1Very high97Very high1 Ų117.8 Ų17.81%0.019%0.094CC..Hα-helixtrans-58.9-34.4-178.900000113.3A19 G21 F22 F26 V27 V28A19-G24 CarbonylContact O-C 3.58Å; G21-G24 PolarHBondContact O-N 2.83Å; G21-G24 VanDerWaalsContact O-N 3.16Å; F22-G24 VanDerWaalsContact C-N 3.34Å; F22-G24 PolarHBondContact O-N 2.92Å; G24-F26 VanDerWaalsContact C-N 3.33Å; G24-F26 PolarHBondContact O-N 2.89Å; G24-V27 WeakPolarHBondContact O-CB 3.13Å; G24-V27 PolarHBondContact O-N 3.01Å; G24-V28 WeakPolarHBondContact O-CG2 3.17Å; G24-V28 PolarHBondContact O-N 2.89Å
25Q98Very high96.6Very high52 Ų5218.6 Ų18.624%0.24310%0.1CC..Hα-helixtrans-60.7-41.4176.2-70.9169.639.500112.3A19 S20 G21 T23 V28 E29 V58A19-Q25 PolarHBondContact O-N 2.94Å; S20-Q25 PolarHBondContact O-NE2 3.43Å; S20-Q25 VanDerWaalsContact O-NE2 3.11Å; G21-Q25 WeakPolarHBondContact O-CG 3.3Å; G21-Q25 PolarHBondContact O-N 3.46Å; G21-Q25 VanDerWaalsContact O-N 3.07Å; T23-Q25 PolarHBondContact O-N 2.97Å; Q25-V28 WeakPolarHBondContact O-CB 3.31Å; Q25-V28 PolarHBondContact O-N 2.95Å; Q25-E29 PolarHBondContact O-N 2.82Å; Q25-E29 VanDerWaalsContact O-N 3.1Å; Q25-V58 HydrophobicContact CB-CG1 4.33Å; Q25-V58 HydrophobicContact CG-CB 4.41Å; Q25-V58 HydrophobicContact CG-CG1 3.9Å; Q25-V58 HydrophobicContact CG-CG2 3.56Å
26F98.4Very high95.6Very high16 Ų1621.6 Ų21.67%0.0712%0.122CC..Hα-helixtrans-72.8-29.8176.7-58.5-83.4000112.5F22 T23 G24 V28 E29 E30 M334 Y374 P378F22-F26 HydrophobicContact CD1-CE2 4.09Å; F22-F26 AromaticContact CE1-CE2 3.72Å; F22-F26 HydrophobicContact CE1-CE2 3.72Å; F22-F26 HydrophobicContact CE1-CZ 4.4Å; F22-F26 AromaticContact CZ-CE2 3.97Å; F22-F26 HydrophobicContact CZ-CE2 3.97Å; F22-F26 HydrophobicContact CZ-CZ 4.3Å; F22-F26 WeakPolarHBondContact O-CD2 3.37Å; F22-F26 WeakPolarHBondContact O-CE2 3.34Å; T23-F26 PolarHBondContact O-N 3.17Å; T23-F26 VanDerWaalsContact O-N 3.11Å; G24-F26 VanDerWaalsContact C-N 3.33Å; G24-F26 PolarHBondContact O-N 2.89Å; F26-V28 VanDerWaalsContact C-N 3.35Å; F26-E29 PolarHBondContact O-N 3.48Å; F26-E30 WeakPolarHBondContact O-CB 3.18Å; F26-E30 PolarHBondContact O-N 2.83Å; F26-M334 HydrophobicContact CE1-CE 3.6Å; F26-M334 HydrophobicContact CE1-SD 3.93Å; F26-M334 HydrophobicContact CZ-CE 3.68Å; F26-M334 HydrophobicContact CZ-SD 3.93Å; F26-Y374 WeakPolarHBondContact CB-O 3.47Å; F26-Y374 AromaticContact CD2-CD1 3.96Å; F26-Y374 HydrophobicContact CD2-CD1 3.96Å; F26-Y374 HydrophobicContact CD2-CG 4.26Å; F26-Y374 AromaticContact CE2-CD1 4Å; F26-Y374 HydrophobicContact CE2-CD1 4Å; F26-Y374 HydrophobicContact CE2-CG 4.13Å; F26-P378 HydrophobicContact CB-CB 4.48Å; F26-P378 HydrophobicContact CB-CG 3.55Å
27V98.7Very high94.4Very high0 Ų024.7 Ų24.70%014%0.136CC..Hα-helixtrans-65.8-39170.9179.70000110.9I16 T23 G24 E30 V31 L99 P378 M381 V382I16-V27 HydrophobicContact CD1-CG1 4.27Å; I16-V27 HydrophobicContact CG1-CG1 4.32Å; I16-V27 HydrophobicContact CG2-CB 4.3Å; I16-V27 HydrophobicContact CG2-CG1 3.92Å; T23-V27 PolarHBondContact O-N 3.26Å; G24-V27 WeakPolarHBondContact O-CB 3.13Å; G24-V27 PolarHBondContact O-N 3.01Å; V27-E30 PolarHBondContact O-N 3.04Å; V27-V31 HydrophobicContact CG1-CG2 4.42Å; V27-V31 WeakPolarHBondContact O-CG2 3.4Å; V27-V31 PolarHBondContact O-N 3.21Å; V27-L99 HydrophobicContact CG1-CD1 4.28Å; V27-P378 HydrophobicContact CG2-CB 4.2Å; V27-P378 HydrophobicContact CG2-CG 4.2Å; V27-M381 HydrophobicContact CG1-SD 4.04Å; V27-M381 HydrophobicContact CG2-SD 4.05Å; V27-V382 HydrophobicContact CG1-CG2 4.29Å
28V98.6Very high92.4Very high0 Ų026.2 Ų26.20%015%0.153CC..Hα-helixtrans-59.5-47.8172.5174.20000111I16 A19 G24 Q25 F26 E30 V31 A32 W45 V47 V58 L59 A62I16-V28 HydrophobicContact CD1-CB 4.35Å; I16-V28 HydrophobicContact CD1-CG2 3.85Å; I16-V28 HydrophobicContact CG2-CG2 4.36Å; A19-V28 HydrophobicContact CB-CG2 3.72Å; G24-V28 WeakPolarHBondContact O-CG2 3.17Å; G24-V28 PolarHBondContact O-N 2.89Å; Q25-V28 WeakPolarHBondContact O-CB 3.31Å; Q25-V28 PolarHBondContact O-N 2.95Å; F26-V28 VanDerWaalsContact C-N 3.35Å; V28-E30 VanDerWaalsContact C-N 3.32Å; V28-E30 PolarHBondContact O-N 3.11Å; V28-V31 PolarHBondContact O-N 3.25Å; V28-A32 VanDerWaalsContact O-CB 3.29Å; V28-A32 WeakPolarHBondContact O-CB 3.4Å; V28-A32 PolarHBondContact O-N 3Å; V28-W45 HydrophobicContact CG1-CH2 3.9Å; V28-W45 HydrophobicContact CG1-CZ3 4.08Å; V28-V47 HydrophobicContact CG1-CG1 4.3Å; V28-V47 HydrophobicContact CG2-CG1 3.75Å; V28-V58 HydrophobicContact CB-CG1 4.12Å; V28-V58 HydrophobicContact CG1-CG1 4.12Å; V28-V58 HydrophobicContact CG2-CG1 4.02Å; V28-L59 HydrophobicContact CG1-CD2 4.15Å; V28-A62 HydrophobicContact CG1-CB 4.12Å
29E97.4Very high90.2Very high16 Ų1631.6 Ų31.68%0.07519%0.186CC..Hα-helixtrans-59.6-41.8177-73.9172.5-153.300112.5Q25 F26 A32 R33 A62 R331Q25-E29 PolarHBondContact O-N 2.82Å; Q25-E29 VanDerWaalsContact O-N 3.1Å; F26-E29 PolarHBondContact O-N 3.48Å; E29-A32 PolarHBondContact O-N 3.28Å; E29-R33 WeakPolarHBondContact O-CB 3.26Å; E29-R33 PolarHBondContact O-N 3.33Å; E29-A62 HydrophobicContact CG-CB 3.97Å; E29-R331 IonicContact OE1-CZ 3.99Å; E29-R331 IonicContact OE1-NH1 3Å; E29-R331 IonicContact OE1-NH2 3.93Å; E29-R331 PolarHBondContact OE1-NH2 3.03Å; E29-R331 IonicContact OE2-CZ 2.82Å; E29-R331 IonicContact OE2-NH1 2.66Å; E29-R331 PolarHBondContact OE2-NH1 2.71Å; E29-R331 IonicContact OE2-NH2 3.51Å; E29-R331 PolarHBondContact OE2-NH2 2.87Å
30E97.6Very high88Confident16 Ų1641.7 Ų41.78%0.07523%0.23CC..Hα-helixtrans-72.2-39.4-178.6-177.161.4-172.500112.9F26 V27 V28 A32 R33 T34 P378 I379 V382F26-E30 WeakPolarHBondContact O-CB 3.18Å; F26-E30 PolarHBondContact O-N 2.83Å; V27-E30 PolarHBondContact O-N 3.04Å; V28-E30 VanDerWaalsContact C-N 3.32Å; V28-E30 PolarHBondContact O-N 3.11Å; E30-A32 VanDerWaalsContact C-N 3.33Å; E30-R33 PolarHBondContact O-N 3.48Å; E30-R33 IonicContact OE2-NE 3.65Å; E30-T34 WeakPolarHBondContact O-CB 3.49Å; E30-T34 PolarHBondContact O-N 3.27Å; E30-T34 PolarHBondContact O-OG1 3.39Å; E30-P378 HydrophobicContact CB-CB 3.72Å; E30-P378 HydrophobicContact CG-CB 4.14Å; E30-I379 HydrophobicContact CG-CG1 4.37Å; E30-I379 WeakPolarHBondContact OE1-CG1 3.15Å; E30-V382 HydrophobicContact CB-CG2 4.08Å; E30-V382 HydrophobicContact CG-CB 3.92Å; E30-V382 HydrophobicContact CG-CG1 4.35Å; E30-V382 HydrophobicContact CG-CG2 3.75Å
31V96.5Very high86.1Confident0 Ų041.9 Ų41.90%024%0.237CC..Hα-helixtrans-62.3-44.2171.7173.30000110L14 I16 V27 V28 R33 T34 A35 L43 W45 L99 V382L14-V31 HydrophobicContact CD1-CG1 4.4Å; L14-V31 HydrophobicContact CD1-CG2 4.41Å; I16-V31 HydrophobicContact CD1-CB 3.96Å; I16-V31 HydrophobicContact CD1-CG1 4.41Å; I16-V31 HydrophobicContact CD1-CG2 3.74Å; I16-V31 HydrophobicContact CG1-CG2 4.3Å; V27-V31 HydrophobicContact CG1-CG2 4.42Å; V27-V31 WeakPolarHBondContact O-CG2 3.4Å; V27-V31 PolarHBondContact O-N 3.21Å; V28-V31 PolarHBondContact O-N 3.25Å; V31-R33 PolarHBondContact O-N 3.22Å; V31-T34 PolarHBondContact O-N 2.84Å; V31-A35 VanDerWaalsContact O-CB 3.26Å; V31-A35 WeakPolarHBondContact O-CB 3.39Å; V31-A35 PolarHBondContact O-N 3.37Å; V31-L43 HydrophobicContact CG1-CD2 4.27Å; V31-W45 HydrophobicContact CB-CE3 4.43Å; V31-W45 HydrophobicContact CG1-CB 4.26Å; V31-W45 HydrophobicContact CG1-CD2 3.44Å; V31-W45 VanDerWaalsContact CG1-CD2 3.44Å; V31-W45 HydrophobicContact CG1-CE3 3.74Å; V31-W45 HydrophobicContact CG1-CG 3.68Å; V31-W45 HydrophobicContact CG1-CZ2 4.27Å; V31-W45 HydrophobicContact CG1-CZ3 4.26Å; V31-L99 HydrophobicContact CG2-CD1 4.18Å; V31-V382 HydrophobicContact CG2-CB 4.49Å; V31-V382 HydrophobicContact CG2-CG1 4.18Å; V31-V382 HydrophobicContact CG2-CG2 3.48Å; V31-V382 VanDerWaalsContact CG2-CG2 3.48Å
32A94.7Very high85.1Confident1 Ų143.1 Ų43.11%0.00824%0.242CC..Hα-helixtrans-65.3-36.5177.900000113V28 E29 E30 S36 W45 L66 K68 L71V28-A32 VanDerWaalsContact O-CB 3.29Å; V28-A32 WeakPolarHBondContact O-CB 3.4Å; V28-A32 PolarHBondContact O-N 3Å; E29-A32 PolarHBondContact O-N 3.28Å; E30-A32 VanDerWaalsContact C-N 3.33Å; A32-S36 PolarHBondContact O-OG 2.94Å; A32-W45 HydrophobicContact CB-CH2 4.19Å; A32-W45 HydrophobicContact CB-CZ2 3.91Å; A32-L66 HydrophobicContact CB-CD1 3.56Å; A32-K68 PolarHBondContact O-NZ 3.42Å; A32-L71 HydrophobicContact CB-CD1 3.7Å; A32-L71 HydrophobicContact CB-CD2 3.95Å
33R92.1Very high84.7Confident122 Ų12241.7 Ų41.746%0.4624%0.236SC..Hα-helixtrans-61.4-53.1171.7-174.6-177.2-57.7-78.5-4.8110.1E29 E30 V31 A35 S36E29-R33 WeakPolarHBondContact O-CB 3.26Å; E29-R33 PolarHBondContact O-N 3.33Å; E30-R33 PolarHBondContact O-N 3.48Å; E30-R33 IonicContact OE2-NE 3.65Å; V31-R33 PolarHBondContact O-N 3.22Å; R33-A35 PolarHBondContact O-N 2.94Å; R33-S36 PolarHBondContact O-N 3.09Å
34T90.3Very high84.5Confident0 Ų046.7 Ų46.70%026%0.255CS..Hα-helixtrans-67.7-37.3-174.1-520000112.6A2 E30 V31 S36 E37 V382 L386A2-T34 HydrophobicContact CB-CG2 4.07Å; A2-T34 WeakPolarHBondContact CB-O 3.48Å; E30-T34 WeakPolarHBondContact O-CB 3.49Å; E30-T34 PolarHBondContact O-N 3.27Å; E30-T34 PolarHBondContact O-OG1 3.39Å; V31-T34 PolarHBondContact O-N 2.84Å; T34-S36 PolarHBondContact O-N 3.47Å; T34-S36 VanDerWaalsContact O-N 3.11Å; T34-E37 WeakPolarHBondContact O-CB 2.91Å; T34-E37 PolarHBondContact O-N 3.4Å; T34-V382 HydrophobicContact CG2-CG1 4.44Å; T34-L386 HydrophobicContact CG2-CD1 3.24Å
35A88Confident84.4Confident16 Ų1647.5 Ų47.513%0.13226%0.258CS..Hα-helixtrans-57-28.1177.800000112.8V31 R33 L43V31-A35 VanDerWaalsContact O-CB 3.26Å; V31-A35 WeakPolarHBondContact O-CB 3.39Å; V31-A35 PolarHBondContact O-N 3.37Å; R33-A35 PolarHBondContact O-N 2.94Å; A35-L43 HydrophobicContact CB-CD2 4.07Å
36S78.4Confident84.5Confident64 Ų6445 Ų4545%0.44825%0.246SC..THydrogen-bonded Turntrans-89.5-4.2178.1-54.60000114.3A32 R33 T34 G38 K68A32-S36 PolarHBondContact O-OG 2.94Å; R33-S36 PolarHBondContact O-N 3.09Å; T34-S36 PolarHBondContact O-N 3.47Å; T34-S36 VanDerWaalsContact O-N 3.11Å; S36-G38 PolarHBondContact O-N 3.27Å; S36-K68 WeakPolarHBondContact OG-CE 3.48Å; S36-K68 PolarHBondContact OG-NZ 2.95Å
37E73.3Confident84.5Confident64 Ų6444.3 Ų44.330%0.29924%0.243SC..SBendtrans-80.681.6176.5-63.3-173.4176.700111.5M1 A2 T34 H420M1-E37 CarbonylContact C-O 3.59Å; M1-E37 WeakPolarHBondContact CA-O 3.46Å; A2-E37 PolarHBondContact N-O 2.76Å; T34-E37 WeakPolarHBondContact O-CB 2.91Å; T34-E37 PolarHBondContact O-N 3.4Å; E37-H420 IonicContact OE1-CE1 2.84Å; E37-H420 IonicContact OE1-NE2 3.21Å; E37-H420 IonicContact OE2-CE1 3.14Å; E37-H420 PolarHBondContact OE2-CE1 3.39Å; E37-H420 IonicContact OE2-NE2 3.96Å
38G58Low84.5Confident36 Ų3644.3 Ų44.337%0.37124%0.243SC..SBendtrans151.4174172.800000113.5S36 K40S36-G38 PolarHBondContact O-N 3.27Å; G38-K40 PolarHBondContact O-N 2.86Å
39P50.4Low84.5Confident123 Ų12344.5 Ų44.580%0.79925%0.245SC*.SBendtrans-62.5106.3173.624.7-30.4000108.8
40K52.3Low84.5Confident212 Ų21252.3 Ų52.392%0.92227%0.274SS*.SBendtrans27.589.6-178-71.4-170.7175.9-173.50113.6G38G38-K40 PolarHBondContact O-N 2.86Å
41G58.8Low84.5Confident40 Ų4053.3 Ų53.341%0.41228%0.283SS..  trans-48131.6-169.200000115.1L43G41-L43 PolarHBondContact O-N 2.97Å
42S74.5Confident84.6Confident55 Ų5558.8 Ų58.839%0.38531%0.306SS..  trans-78.6-1.1171.963.60000112.9V4 H13 K44V4-S42 PolarHBondContact N-OG 3.49Å; V4-S42 VanDerWaalsContact N-OG 3.13Å; H13-S42 PolarHBondContact CE1-O 2.97Å; S42-K44 PolarHBondContact O-N 2.73Å
43L88.9Confident84.8Confident12 Ų1266 Ų666%0.06334%0.34CS..  trans-75.795.3-176.7-174.769.8000111V4 H13 L14 V31 A35 G41 L386 L389V4-L43 HydrophobicContact CG2-CB 4.03Å; V4-L43 HydrophobicContact CG2-CD1 3.6Å; V4-L43 HydrophobicContact CG2-CG 4.42Å; H13-L43 HydrophobicContact CB-CD1 3.81Å; L14-L43 HydrophobicContact CD1-CD1 3.96Å; L14-L43 HydrophobicContact CD1-CD2 4.15Å; L14-L43 HydrophobicContact CG-CD1 4.07Å; V31-L43 HydrophobicContact CG1-CD2 4.27Å; A35-L43 HydrophobicContact CB-CD2 4.07Å; G41-L43 PolarHBondContact O-N 2.97Å; L43-L386 HydrophobicContact CD1-CD2 4.04Å; L43-L386 HydrophobicContact CD2-CD2 4.21Å; L43-L389 HydrophobicContact CD1-CD1 4.33Å
44K92.2Very high85Confident135 Ų13566.5 Ų66.559%0.58735%0.345SS*.  trans-77.5127.2165-56.7-178.7-178.7-178.70111.2P11 H13 S42P11-K44 WeakPolarHBondContact O-CB 3.47Å; P11-K44 WeakPolarHBondContact O-CD 3.47Å; H13-K44 WeakPolarHBondContact CB-O 3.02Å; H13-K44 PolarHBondContact N-O 2.9Å; H13-K44 PolarHBondContact ND1-N 3.06Å; H13-K44 PolarHBondContact ND1-O 3.06Å; S42-K44 PolarHBondContact O-N 2.73Å
45W96.2Very high85.4Confident18 Ų1866.5 Ų66.57%0.06835%0.345CS..EExtended strand (participates in β ladder)trans-148162.4-179.664.9-75.3000111.8L14 I16 V28 V31 A32 V47 L59 L71 V75L14-W45 HydrophobicContact CB-CB 4.05Å; L14-W45 CarbonylContact O-C 3.55Å; L14-W45 WeakPolarHBondContact O-CA 3.46Å; L14-W45 WeakPolarHBondContact O-CB 3.39Å; I16-W45 HydrophobicContact CD1-CE3 3.78Å; I16-W45 HydrophobicContact CD1-CZ3 3.68Å; V28-W45 HydrophobicContact CG1-CH2 3.9Å; V28-W45 HydrophobicContact CG1-CZ3 4.08Å; V31-W45 HydrophobicContact CB-CE3 4.43Å; V31-W45 HydrophobicContact CG1-CB 4.26Å; V31-W45 HydrophobicContact CG1-CD2 3.44Å; V31-W45 VanDerWaalsContact CG1-CD2 3.44Å; V31-W45 HydrophobicContact CG1-CE3 3.74Å; V31-W45 HydrophobicContact CG1-CG 3.68Å; V31-W45 HydrophobicContact CG1-CZ2 4.27Å; V31-W45 HydrophobicContact CG1-CZ3 4.26Å; A32-W45 HydrophobicContact CB-CH2 4.19Å; A32-W45 HydrophobicContact CB-CZ2 3.91Å; W45-V47 HydrophobicContact CE3-CG1 4.34Å; W45-V47 HydrophobicContact CZ3-CG1 3.67Å; W45-L59 HydrophobicContact CH2-CD2 4.37Å; W45-L71 HydrophobicContact CZ2-CD2 4.07Å; W45-V75 HydrophobicContact CD2-CG1 4.17Å; W45-V75 HydrophobicContact CD2-CG2 4.42Å; W45-V75 HydrophobicContact CE3-CG1 3.86Å; W45-V75 HydrophobicContact CH2-CB 4.46Å; W45-V75 HydrophobicContact CH2-CG1 3.88Å; W45-V75 HydrophobicContact CH2-CG2 3.78Å; W45-V75 HydrophobicContact CZ2-CB 4.45Å; W45-V75 HydrophobicContact CZ2-CG1 4.17Å; W45-V75 HydrophobicContact CZ2-CG2 3.39Å; W45-V75 HydrophobicContact CZ3-CG1 3.71Å; W45-V75 HydrophobicContact CZ3-CG2 4.42Å
46A98.4Very high85.9Confident0 Ų069.6 Ų69.60%036%0.357CS..EExtended strand (participates in β ladder)trans-139.7160.8178.200000111.6Y12 L14 V15 I16 D76 I78Y12-A46 HydrophobicContact CD1-CB 3.8Å; Y12-A46 HydrophobicContact CD2-CB 4.09Å; Y12-A46 HydrophobicContact CE1-CB 3.8Å; Y12-A46 HydrophobicContact CE2-CB 4.1Å; Y12-A46 HydrophobicContact CG-CB 3.95Å; L14-A46 PolarHBondContact O-N 3.31Å; V15-A46 WeakPolarHBondContact CA-O 3.49Å; V15-A46 HydrophobicContact CG2-CB 4.3Å; I16-A46 PolarHBondContact N-O 3.07Å; A46-D76 WeakPolarHBondContact CA-O 3.29Å; A46-D76 HydrophobicContact CB-CB 4.16Å; A46-D76 VanDerWaalsContact CB-O 3.31Å; A46-D76 WeakPolarHBondContact CB-O 3.41Å; A46-I78 HydrophobicContact CB-CD1 3.92Å; A46-I78 HydrophobicContact CB-CG1 4.32Å
47V98.8Very high86.9Confident1 Ų172.2 Ų72.21%0.00636%0.36CS..EExtended strand (participates in β ladder)trans-103.6142.3171.3-63.80000110.5A19 V28 W45 L55 L59 V75 D76 V77 I78A19-V47 HydrophobicContact CB-CB 3.81Å; A19-V47 HydrophobicContact CB-CG1 4.05Å; V28-V47 HydrophobicContact CG1-CG1 4.3Å; V28-V47 HydrophobicContact CG2-CG1 3.75Å; W45-V47 HydrophobicContact CE3-CG1 4.34Å; W45-V47 HydrophobicContact CZ3-CG1 3.67Å; V47-L55 HydrophobicContact CB-CD2 4.27Å; V47-L55 HydrophobicContact CG2-CB 4.06Å; V47-L55 HydrophobicContact CG2-CD2 4.3Å; V47-L59 HydrophobicContact CG1-CD2 3.91Å; V47-L59 HydrophobicContact CG2-CD1 3.93Å; V47-L59 HydrophobicContact CG2-CD2 4.25Å; V47-L59 HydrophobicContact CG2-CG 4.16Å; V47-V75 HydrophobicContact CG1-CG1 4.19Å; V47-D76 PolarHBondContact N-O 3.43Å; V47-V77 HydrophobicContact CG2-CB 4.45Å; V47-V77 HydrophobicContact CG2-CG2 3.9Å; V47-I78 PolarHBondContact O-N 3.01Å
48A98.9Very high88.1Confident0 Ų069.6 Ų69.60%035%0.349CS..EExtended strand (participates in β ladder)trans-136.3145.8-178.300000113.6V15 I16 F17 G18 A19 I78 M91V15-A48 HydrophobicContact CG1-CB 3.59Å; I16-A48 PolarHBondContact O-N 2.94Å; F17-A48 HydrophobicContact CB-CB 4.46Å; F17-A48 HydrophobicContact CD2-CB 3.85Å; G18-A48 PolarHBondContact N-O 3.2Å; A19-A48 PolarHBondContact N-O 3.07Å; A48-I78 WeakPolarHBondContact CA-O 3.45Å; A48-I78 HydrophobicContact CB-CB 4Å; A48-I78 HydrophobicContact CB-CG2 4.47Å; A48-M91 HydrophobicContact CB-CG 4.22Å; A48-M91 HydrophobicContact CB-SD 3.44Å; A48-M91 WeakPolarHBondContact CB-SD 3.26Å
49G98.4Very high90Very high3 Ų368.1 Ų68.13%0.03133%0.332CS..EExtended strand (participates in β ladder)trans169.4-178.1179.400000113S51 I78 V79 A80G49-S51 PolarHBondContact O-N 3.09Å; G49-I78 PolarHBondContact N-O 3.33Å; G49-V79 WeakPolarHBondContact O-CA 3.39Å; G49-A80 CarbonylContact C-O 3.57Å; G49-A80 PolarHBondContact O-N 3.3Å
50R97.3Very high92.2Very high181 Ų18166.9 Ų66.968%0.68332%0.316SS*.SBendtrans-73.7-25.4-170.3-61-178.4-71.7172.5-3114.8A80 D81R50-A80 PolarHBondContact N-O 3.04Å; R50-D81 VanDerWaalsContact CD-CG 3.42Å; R50-D81 WeakPolarHBondContact CD-OD2 3.49Å; R50-D81 HydrophobicContact CG-CB 3.95Å; R50-D81 VanDerWaalsContact CG-OD2 3.26Å; R50-D81 WeakPolarHBondContact CG-OD2 3.2Å
51S98.1Very high94.3Very high37 Ų3760.3 Ų60.326%0.25929%0.288SS..  trans-126.9106-171.4174.70000110.2G49 Q53 K54 L55G49-S51 PolarHBondContact O-N 3.09Å; S51-Q53 VanDerWaalsContact C-N 3.28Å; S51-Q53 PolarHBondContact O-N 2.91Å; S51-K54 PolarHBondContact O-N 2.87Å; S51-K54 VanDerWaalsContact O-N 3.11Å; S51-K54 PolarHBondContact OG-N 3.1Å; S51-L55 WeakPolarHBondContact O-CG 3.39Å; S51-L55 PolarHBondContact O-N 3.49Å; S51-L55 VanDerWaalsContact O-N 3.08Å
52K98Very high96.1Very high115 Ų11558.4 Ų58.450%0.527%0.269SS..Hα-helixtrans-50.8-48.3175.5179.9170.1175.2174.60111.9K54 L55 E56 V77 V79K52-K54 VanDerWaalsContact C-N 3.32Å; K52-K54 PolarHBondContact O-N 3.49Å; K52-L55 WeakPolarHBondContact O-CB 3.15Å; K52-L55 PolarHBondContact O-N 2.87Å; K52-E56 WeakPolarHBondContact CE-OE1 3.32Å; K52-E56 HydrophobicContact CG-CG 4.41Å; K52-E56 IonicContact NZ-OE1 2.73Å; K52-E56 WeakPolarHBondContact O-CG 3.12Å; K52-E56 PolarHBondContact O-N 3.36Å; K52-V77 HydrophobicContact CB-CG1 4.48Å; K52-V77 HydrophobicContact CG-CG1 4.02Å; K52-V79 HydrophobicContact CB-CG2 3.99Å
53Q98.3Very high97.1Very high153 Ų15355.9 Ų55.972%0.71525%0.251SS*.Hα-helixtrans-58.2-40.5179-170.5-176.921.900113.1S51 K57S51-Q53 VanDerWaalsContact C-N 3.28Å; S51-Q53 PolarHBondContact O-N 2.91Å; Q53-K57 PolarHBondContact O-N 2.92Å; Q53-K57 VanDerWaalsContact O-N 3.11Å
54K98.4Very high97.5Very high131 Ų13162.6 Ų62.657%0.5728%0.282SS*.Hα-helixtrans-69.1-36.8176.4-71.5-177.5179.6-178.90111.7S51 K52 K57 V58S51-K54 PolarHBondContact O-N 2.87Å; S51-K54 VanDerWaalsContact O-N 3.11Å; S51-K54 PolarHBondContact OG-N 3.1Å; K52-K54 VanDerWaalsContact C-N 3.32Å; K52-K54 PolarHBondContact O-N 3.49Å; K54-K57 PolarHBondContact O-N 2.86Å; K54-V58 WeakPolarHBondContact O-CG2 3.46Å; K54-V58 PolarHBondContact O-N 2.85Å; K54-V58 VanDerWaalsContact O-N 3.08Å
55L98.6Very high97.5Very high1 Ų159.9 Ų59.91%0.00528%0.277CS..Hα-helixtrans-65.9-44.6177.5-64.3166.4000111.1A19 V47 S51 K52 K57 V58 L59 V77A19-L55 HydrophobicContact CB-CD2 3.68Å; V47-L55 HydrophobicContact CB-CD2 4.27Å; V47-L55 HydrophobicContact CG2-CB 4.06Å; V47-L55 HydrophobicContact CG2-CD2 4.3Å; S51-L55 WeakPolarHBondContact O-CG 3.39Å; S51-L55 PolarHBondContact O-N 3.49Å; S51-L55 VanDerWaalsContact O-N 3.08Å; K52-L55 WeakPolarHBondContact O-CB 3.15Å; K52-L55 PolarHBondContact O-N 2.87Å; L55-K57 VanDerWaalsContact C-N 3.33Å; L55-K57 PolarHBondContact O-N 3.36Å; L55-V58 PolarHBondContact O-N 2.86Å; L55-V58 VanDerWaalsContact O-N 3.11Å; L55-L59 PolarHBondContact O-N 3.02Å; L55-V77 HydrophobicContact CB-CG1 3.77Å; L55-V77 HydrophobicContact CD1-CG1 3.54Å; L55-V77 HydrophobicContact CG-CG1 4.3Å
56E98.3Very high97.4Very high80 Ų8060.5 Ų60.537%0.37428%0.281SS..Hα-helixtrans-58-44.9174.6-71167.3162.300111.2K52 V58 L59 E60 V77K52-E56 WeakPolarHBondContact CE-OE1 3.32Å; K52-E56 HydrophobicContact CG-CG 4.41Å; K52-E56 IonicContact NZ-OE1 2.73Å; K52-E56 WeakPolarHBondContact O-CG 3.12Å; K52-E56 PolarHBondContact O-N 3.36Å; E56-V58 VanDerWaalsContact C-N 3.3Å; E56-V58 PolarHBondContact O-N 3.43Å; E56-L59 WeakPolarHBondContact O-CB 3.48Å; E56-L59 PolarHBondContact O-N 3.06Å; E56-L59 VanDerWaalsContact O-N 3.14Å; E56-E60 WeakPolarHBondContact O-CG 3.47Å; E56-E60 PolarHBondContact O-N 3.25Å; E56-V77 HydrophobicContact CG-CG2 4.38Å
57K98.2Very high97.2Very high120 Ų12063.4 Ų63.452%0.52231%0.312SS..Hα-helixtrans-59.9-38.4175-173.4176.5-178.2177.50113Q53 K54 L55 E60 Q61Q53-K57 PolarHBondContact O-N 2.92Å; Q53-K57 VanDerWaalsContact O-N 3.11Å; K54-K57 PolarHBondContact O-N 2.86Å; L55-K57 VanDerWaalsContact C-N 3.33Å; L55-K57 PolarHBondContact O-N 3.36Å; K57-E60 PolarHBondContact O-N 2.94Å; K57-Q61 WeakPolarHBondContact O-CB 3.32Å; K57-Q61 VanDerWaalsContact O-CG 3.25Å; K57-Q61 WeakPolarHBondContact O-CG 3.16Å; K57-Q61 PolarHBondContact O-N 2.52Å
58V98.2Very high96.8Very high8 Ų864.9 Ų64.95%0.04832%0.318CS..Hα-helixtrans-66.6-40.7176.3170.70000111.2Q25 V28 K54 L55 E56 E60 Q61 A62Q25-V58 HydrophobicContact CB-CG1 4.33Å; Q25-V58 HydrophobicContact CG-CB 4.41Å; Q25-V58 HydrophobicContact CG-CG1 3.9Å; Q25-V58 HydrophobicContact CG-CG2 3.56Å; V28-V58 HydrophobicContact CB-CG1 4.12Å; V28-V58 HydrophobicContact CG1-CG1 4.12Å; V28-V58 HydrophobicContact CG2-CG1 4.02Å; K54-V58 WeakPolarHBondContact O-CG2 3.46Å; K54-V58 PolarHBondContact O-N 2.85Å; K54-V58 VanDerWaalsContact O-N 3.08Å; L55-V58 PolarHBondContact O-N 2.86Å; L55-V58 VanDerWaalsContact O-N 3.11Å; E56-V58 VanDerWaalsContact C-N 3.3Å; E56-V58 PolarHBondContact O-N 3.43Å; V58-E60 VanDerWaalsContact C-N 3.34Å; V58-Q61 PolarHBondContact O-N 3.24Å; V58-A62 WeakPolarHBondContact O-CB 3.33Å; V58-A62 PolarHBondContact O-N 3.39Å
59L98.2Very high96.5Very high5 Ų568.9 Ų68.93%0.02634%0.344CS..Hα-helixtrans-63.8-40.1174.2-66.3175.3000111.7V28 W45 V47 L55 E56 A62 A63 V75 V77V28-L59 HydrophobicContact CG1-CD2 4.15Å; W45-L59 HydrophobicContact CH2-CD2 4.37Å; V47-L59 HydrophobicContact CG1-CD2 3.91Å; V47-L59 HydrophobicContact CG2-CD1 3.93Å; V47-L59 HydrophobicContact CG2-CD2 4.25Å; V47-L59 HydrophobicContact CG2-CG 4.16Å; L55-L59 PolarHBondContact O-N 3.02Å; E56-L59 WeakPolarHBondContact O-CB 3.48Å; E56-L59 PolarHBondContact O-N 3.06Å; E56-L59 VanDerWaalsContact O-N 3.14Å; L59-A62 PolarHBondContact O-N 3.46Å; L59-A63 WeakPolarHBondContact O-CB 3.46Å; L59-A63 PolarHBondContact O-N 2.98Å; L59-V75 HydrophobicContact CD1-CB 4.19Å; L59-V75 HydrophobicContact CD1-CG1 4.31Å; L59-V75 HydrophobicContact CD2-CB 3.93Å; L59-V75 HydrophobicContact CD2-CG1 3.79Å; L59-V75 HydrophobicContact CD2-CG2 4.36Å; L59-V77 HydrophobicContact CD1-CG2 3.82Å
60E97.6Very high96.1Very high98 Ų9872.2 Ų72.246%0.45836%0.359SS..Hα-helixtrans-60.4-45.3174.4-73171.8179.300112.3E56 K57 V58 A63 E64 R72E56-E60 WeakPolarHBondContact O-CG 3.47Å; E56-E60 PolarHBondContact O-N 3.25Å; K57-E60 PolarHBondContact O-N 2.94Å; V58-E60 VanDerWaalsContact C-N 3.34Å; E60-A63 WeakPolarHBondContact O-CB 3.25Å; E60-A63 PolarHBondContact O-N 2.93Å; E60-E64 PolarHBondContact O-N 2.92Å; E60-R72 HydrophobicContact CG-CG 4.49Å
61Q96.3Very high95.8Very high73 Ų7364 Ų6434%0.34133%0.329SS..Hα-helixtrans-65.6-46.6178-73.4173.7-31.700111.7K57 V58 A63 E64 V65K57-Q61 WeakPolarHBondContact O-CB 3.32Å; K57-Q61 VanDerWaalsContact O-CG 3.25Å; K57-Q61 WeakPolarHBondContact O-CG 3.16Å; K57-Q61 PolarHBondContact O-N 2.52Å; V58-Q61 PolarHBondContact O-N 3.24Å; Q61-A63 VanDerWaalsContact C-N 3.31Å; Q61-A63 PolarHBondContact O-N 3.25Å; Q61-E64 PolarHBondContact O-N 2.95Å; Q61-V65 WeakPolarHBondContact O-CB 3.38Å; Q61-V65 VanDerWaalsContact O-CG2 3.31Å; Q61-V65 WeakPolarHBondContact O-CG2 3.37Å; Q61-V65 PolarHBondContact O-N 2.96Å
62A96.5Very high95.5Very high1 Ų168.6 Ų68.61%0.00834%0.34CS..Hα-helixtrans-62.3-39.8176.600000111.5V28 E29 V58 L59 E64 V65 L66 L71V28-A62 HydrophobicContact CG1-CB 4.12Å; E29-A62 HydrophobicContact CG-CB 3.97Å; V58-A62 WeakPolarHBondContact O-CB 3.33Å; V58-A62 PolarHBondContact O-N 3.39Å; L59-A62 PolarHBondContact O-N 3.46Å; A62-E64 VanDerWaalsContact C-N 3.33Å; A62-E64 PolarHBondContact O-N 3.3Å; A62-V65 PolarHBondContact O-N 2.8Å; A62-L66 VanDerWaalsContact O-CB 3.26Å; A62-L66 WeakPolarHBondContact O-CB 3.43Å; A62-L66 VanDerWaalsContact O-CG 3.28Å; A62-L66 WeakPolarHBondContact O-CG 3.44Å; A62-L66 PolarHBondContact O-N 3.18Å; A62-L71 HydrophobicContact CB-CD1 4.43Å
63A95.9Very high95.1Very high2 Ų268.8 Ų68.82%0.01735%0.351CS..Hα-helixtrans-59.8-42.1174.200000112.2L59 E60 Q61 G67 K68 L71 R72L59-A63 WeakPolarHBondContact O-CB 3.46Å; L59-A63 PolarHBondContact O-N 2.98Å; E60-A63 WeakPolarHBondContact O-CB 3.25Å; E60-A63 PolarHBondContact O-N 2.93Å; Q61-A63 VanDerWaalsContact C-N 3.31Å; Q61-A63 PolarHBondContact O-N 3.25Å; A63-G67 CarbonylContact O-C 3.51Å; A63-G67 WeakPolarHBondContact O-CA 3.38Å; A63-G67 PolarHBondContact O-N 3.21Å; A63-K68 WeakPolarHBondContact CA-O 3.45Å; A63-K68 WeakPolarHBondContact CB-O 3.39Å; A63-K68 PolarHBondContact O-N 2.8Å; A63-L71 HydrophobicContact CB-CB 4.25Å; A63-R72 HydrophobicContact CB-CG 4.07Å
64E95.9Very high94.7Very high152 Ų15268.1 Ų68.171%0.7135%0.348SS*.Hα-helixtrans-69.2-49.5177.9-170.1175-167.500111.6E60 Q61 A62 L66 G67E60-E64 PolarHBondContact O-N 2.92Å; Q61-E64 PolarHBondContact O-N 2.95Å; A62-E64 VanDerWaalsContact C-N 3.33Å; A62-E64 PolarHBondContact O-N 3.3Å; E64-L66 VanDerWaalsContact C-N 3.28Å; E64-L66 PolarHBondContact O-N 2.86Å; E64-G67 PolarHBondContact O-N 3.16Å
65V93.7Very high94.5Very high78 Ų7862.3 Ų62.347%0.47332%0.324SS..Hα-helixtrans-60-37.8179.8169.30000112.1Q61 A62Q61-V65 WeakPolarHBondContact O-CB 3.38Å; Q61-V65 VanDerWaalsContact O-CG2 3.31Å; Q61-V65 WeakPolarHBondContact O-CG2 3.37Å; Q61-V65 PolarHBondContact O-N 2.96Å; A62-V65 PolarHBondContact O-N 2.8Å
66L93.6Very high94.5Very high31 Ų3166.3 Ų66.316%0.16235%0.345CS..Hα-helixtrans-95.1-6.8-176.8-60.1175.9000113.7A32 A62 E64 K68 L71A32-L66 HydrophobicContact CB-CD1 3.56Å; A62-L66 VanDerWaalsContact O-CB 3.26Å; A62-L66 WeakPolarHBondContact O-CB 3.43Å; A62-L66 VanDerWaalsContact O-CG 3.28Å; A62-L66 WeakPolarHBondContact O-CG 3.44Å; A62-L66 PolarHBondContact O-N 3.18Å; E64-L66 VanDerWaalsContact C-N 3.28Å; E64-L66 PolarHBondContact O-N 2.86Å; L66-K68 HydrophobicContact CB-CB 4.45Å; L66-K68 HydrophobicContact CB-CD 4.17Å; L66-K68 HydrophobicContact CB-CG 4.15Å; L66-L71 HydrophobicContact CD1-CD1 4.26Å
67G94.6Very high94.5Very high62 Ų6264.4 Ų64.464%0.63934%0.339SS*.THydrogen-bonded Turntrans64.336.2-173.500000113.6A63 E64A63-G67 CarbonylContact O-C 3.51Å; A63-G67 WeakPolarHBondContact O-CA 3.38Å; A63-G67 PolarHBondContact O-N 3.21Å; E64-G67 PolarHBondContact O-N 3.16Å
68K90.7Very high94.5Very high31 Ų3159.5 Ų59.514%0.13532%0.318CS..  trans-125.277.7-174.3-66.3-177.4-173174.20111.9A32 S36 A63 L66 E70 L71A32-K68 PolarHBondContact O-NZ 3.42Å; S36-K68 WeakPolarHBondContact OG-CE 3.48Å; S36-K68 PolarHBondContact OG-NZ 2.95Å; A63-K68 WeakPolarHBondContact CA-O 3.45Å; A63-K68 WeakPolarHBondContact CB-O 3.39Å; A63-K68 PolarHBondContact O-N 2.8Å; L66-K68 HydrophobicContact CB-CB 4.45Å; L66-K68 HydrophobicContact CB-CD 4.17Å; L66-K68 HydrophobicContact CB-CG 4.15Å; K68-E70 VanDerWaalsContact C-OE2 3.24Å; K68-E70 WeakPolarHBondContact CA-OE2 3.41Å; K68-E70 PolarHBondContact O-N 3.3Å; K68-L71 HydrophobicContact CB-CD1 3.92Å; K68-L71 HydrophobicContact CB-CG 3.88Å; K68-L71 HydrophobicContact CD-CD1 4.47Å; K68-L71 WeakPolarHBondContact O-CG 3.36Å; K68-L71 PolarHBondContact O-N 2.93Å
69P92Very high94.6Very high84 Ų8463.1 Ų63.155%0.54534%0.34SS..THydrogen-bonded Turntrans-59.3-27.4-178.125.1-34.8000113.7L71 R72P69-L71 PolarHBondContact O-N 3.46Å; P69-R72 WeakPolarHBondContact O-CB 3.23Å; P69-R72 WeakPolarHBondContact O-CG 3.34Å; P69-R72 PolarHBondContact O-N 2.92Å
70E90.3Very high94.6Very high73 Ų7362.9 Ų62.934%0.34134%0.339SS..THydrogen-bonded Turntrans-61.1-23.6179.664.8-85.3-163.700113.8K68 R72 T73 E74K68-E70 VanDerWaalsContact C-OE2 3.24Å; K68-E70 WeakPolarHBondContact CA-OE2 3.41Å; K68-E70 PolarHBondContact O-N 3.3Å; E70-R72 PolarHBondContact O-N 3.48Å; E70-R72 VanDerWaalsContact O-N 3.07Å; E70-T73 PolarHBondContact O-N 3.38Å; E70-T73 PolarHBondContact O-OG1 2.91Å; E70-T73 VanDerWaalsContact O-OG1 3.06Å; E70-E74 HydrophobicContact CB-CG 4.3Å; E70-E74 WeakPolarHBondContact O-CB 3.2Å; E70-E74 WeakPolarHBondContact O-CG 3.31Å; E70-E74 PolarHBondContact O-N 3.11Å
71L91.3Very high94.6Very high10 Ų1060.6 Ų60.65%0.05233%0.329CS..Hα-helixtrans-57.7-26.9176.4-66.7179.3000112.7A32 W45 A62 A63 L66 K68 P69 T73 V75A32-L71 HydrophobicContact CB-CD1 3.7Å; A32-L71 HydrophobicContact CB-CD2 3.95Å; W45-L71 HydrophobicContact CZ2-CD2 4.07Å; A62-L71 HydrophobicContact CB-CD1 4.43Å; A63-L71 HydrophobicContact CB-CB 4.25Å; L66-L71 HydrophobicContact CD1-CD1 4.26Å; K68-L71 HydrophobicContact CB-CD1 3.92Å; K68-L71 HydrophobicContact CB-CG 3.88Å; K68-L71 HydrophobicContact CD-CD1 4.47Å; K68-L71 WeakPolarHBondContact O-CG 3.36Å; K68-L71 PolarHBondContact O-N 2.93Å; P69-L71 PolarHBondContact O-N 3.46Å; L71-T73 PolarHBondContact O-N 3.42Å; L71-V75 HydrophobicContact CD2-CG2 4.04Å; L71-V75 WeakPolarHBondContact O-CB 3.36Å; L71-V75 WeakPolarHBondContact O-CG2 3.39Å
72R90.6Very high94.6Very high133 Ų13358.3 Ų58.350%0.50232%0.321SS..Hα-helixtrans-70.5-22179-59.6176.2-175179.3-2.2113E60 A63 P69 E70E60-R72 HydrophobicContact CG-CG 4.49Å; A63-R72 HydrophobicContact CB-CG 4.07Å; P69-R72 WeakPolarHBondContact O-CB 3.23Å; P69-R72 WeakPolarHBondContact O-CG 3.34Å; P69-R72 PolarHBondContact O-N 2.92Å; E70-R72 PolarHBondContact O-N 3.48Å; E70-R72 VanDerWaalsContact O-N 3.07Å
73T90Very high94.6Very high119 Ų11960.7 Ų60.773%0.7335%0.345SS*.Hα-helixtrans-115.9-25.4-175.450.70000113.4E70 L71E70-T73 PolarHBondContact O-N 3.38Å; E70-T73 PolarHBondContact O-OG1 2.91Å; E70-T73 VanDerWaalsContact O-OG1 3.06Å; L71-T73 PolarHBondContact O-N 3.42Å
74E89.6Confident94.7Very high139 Ų13966.4 Ų66.465%0.6537%0.371SS*.Hα-helixtrans-93-18.6-176-66.5-174.5173.500113.8E70E70-E74 HydrophobicContact CB-CG 4.3Å; E70-E74 WeakPolarHBondContact O-CB 3.2Å; E70-E74 WeakPolarHBondContact O-CG 3.31Å; E70-E74 PolarHBondContact O-N 3.11Å
75V95.4Very high94.8Very high9 Ų963.5 Ų63.56%0.05537%0.366CS..SBendtrans-101.7115.8-177.4-174.50000110.3W45 V47 L59 L71W45-V75 HydrophobicContact CD2-CG1 4.17Å; W45-V75 HydrophobicContact CD2-CG2 4.42Å; W45-V75 HydrophobicContact CE3-CG1 3.86Å; W45-V75 HydrophobicContact CH2-CB 4.46Å; W45-V75 HydrophobicContact CH2-CG1 3.88Å; W45-V75 HydrophobicContact CH2-CG2 3.78Å; W45-V75 HydrophobicContact CZ2-CB 4.45Å; W45-V75 HydrophobicContact CZ2-CG1 4.17Å; W45-V75 HydrophobicContact CZ2-CG2 3.39Å; W45-V75 HydrophobicContact CZ3-CG1 3.71Å; W45-V75 HydrophobicContact CZ3-CG2 4.42Å; V47-V75 HydrophobicContact CG1-CG1 4.19Å; L59-V75 HydrophobicContact CD1-CB 4.19Å; L59-V75 HydrophobicContact CD1-CG1 4.31Å; L59-V75 HydrophobicContact CD2-CB 3.93Å; L59-V75 HydrophobicContact CD2-CG1 3.79Å; L59-V75 HydrophobicContact CD2-CG2 4.36Å; L71-V75 HydrophobicContact CD2-CG2 4.04Å; L71-V75 WeakPolarHBondContact O-CB 3.36Å; L71-V75 WeakPolarHBondContact O-CG2 3.39Å
76D97.6Very high95.1Very high84 Ų8466.6 Ų66.645%0.44938%0.379SS..EExtended strand (participates in β ladder)trans-71.5149.5178.3-72.2-49.1000112.3Y12 A46 V47Y12-D76 HydrophobicContact CE1-CB 3.87Å; Y12-D76 WeakPolarHBondContact CE1-OD2 3.3Å; Y12-D76 WeakPolarHBondContact OH-CB 3.34Å; Y12-D76 VanDerWaalsContact OH-CG 3.29Å; Y12-D76 PolarHBondContact OH-OD2 3.05Å; A46-D76 WeakPolarHBondContact CA-O 3.29Å; A46-D76 HydrophobicContact CB-CB 4.16Å; A46-D76 VanDerWaalsContact CB-O 3.31Å; A46-D76 WeakPolarHBondContact CB-O 3.41Å; V47-D76 PolarHBondContact N-O 3.43Å
77V98.5Very high95.3Very high41 Ų4166.4 Ų66.425%0.24838%0.381CS..EExtended strand (participates in β ladder)trans-112.9120.3179.6-179.50000109.9V47 K52 L55 E56 L59V47-V77 HydrophobicContact CG2-CB 4.45Å; V47-V77 HydrophobicContact CG2-CG2 3.9Å; K52-V77 HydrophobicContact CB-CG1 4.48Å; K52-V77 HydrophobicContact CG-CG1 4.02Å; L55-V77 HydrophobicContact CB-CG1 3.77Å; L55-V77 HydrophobicContact CD1-CG1 3.54Å; L55-V77 HydrophobicContact CG-CG1 4.3Å; E56-V77 HydrophobicContact CG-CG2 4.38Å; L59-V77 HydrophobicContact CD1-CG2 3.82Å
78I98.7Very high95.5Very high16 Ų1663.6 Ų63.68%0.08235%0.351CS..EExtended strand (participates in β ladder)trans-108.5124.8178.6-57.1170000109.4Y12 V15 A46 V47 A48 G49 M91Y12-I78 HydrophobicContact CD2-CD1 4.1Å; Y12-I78 HydrophobicContact CE2-CD1 3.77Å; V15-I78 HydrophobicContact CG1-CD1 4.19Å; V15-I78 HydrophobicContact CG2-CD1 4.13Å; A46-I78 HydrophobicContact CB-CD1 3.92Å; A46-I78 HydrophobicContact CB-CG1 4.32Å; V47-I78 PolarHBondContact O-N 3.01Å; A48-I78 WeakPolarHBondContact CA-O 3.45Å; A48-I78 HydrophobicContact CB-CB 4Å; A48-I78 HydrophobicContact CB-CG2 4.47Å; G49-I78 PolarHBondContact N-O 3.33Å; I78-M91 HydrophobicContact CG2-CB 4.06Å; I78-M91 HydrophobicContact CG2-CG 4.15Å
79V98.6Very high95.9Very high85 Ų8563 Ų6352%0.51535%0.352SS..EExtended strand (participates in β ladder)trans-84.9121172.2-178.50000109.2G49 K52G49-V79 WeakPolarHBondContact O-CA 3.39Å; K52-V79 HydrophobicContact CB-CG2 3.99Å
80A98.4Very high96.2Very high0 Ų061.4 Ų61.40%035%0.346CS..  trans-147.4143.617700000110.8F17 G49 R50 M91F17-A80 HydrophobicContact CD2-CB 4.29Å; F17-A80 HydrophobicContact CE2-CB 3.72Å; F17-A80 WeakPolarHBondContact CE2-O 3.37Å; F17-A80 HydrophobicContact CZ-CB 4.43Å; G49-A80 CarbonylContact C-O 3.57Å; G49-A80 PolarHBondContact O-N 3.3Å; R50-A80 PolarHBondContact N-O 3.04Å; A80-M91 HydrophobicContact CB-CB 4.2Å; A80-M91 HydrophobicContact CB-SD 3.97Å
81D97.8Very high96.6Very high49 Ų4957.9 Ų57.926%0.26233%0.329SS..  trans-131.9138.3179.5-161.1-37.4000110.4R50 G83 E84 S87 L88R50-D81 VanDerWaalsContact CD-CG 3.42Å; R50-D81 WeakPolarHBondContact CD-OD2 3.49Å; R50-D81 HydrophobicContact CG-CB 3.95Å; R50-D81 VanDerWaalsContact CG-OD2 3.26Å; R50-D81 WeakPolarHBondContact CG-OD2 3.2Å; D81-G83 PolarHBondContact O-N 2.83Å; D81-G83 PolarHBondContact OD1-N 2.88Å; D81-E84 HydrophobicContact CB-CB 4.24Å; D81-E84 HydrophobicContact CB-CG 4.13Å; D81-E84 PolarHBondContact O-N 3.49Å; D81-S87 PolarHBondContact N-OG 2.88Å; D81-S87 PolarHBondContact O-OG 2.98Å; D81-L88 WeakPolarHBondContact O-CG 3.41Å
82V96.9Very high96.9Very high26 Ų2657.4 Ų57.416%0.15833%0.327CS..THydrogen-bonded Turntrans-64.7-22.2175.3-65.40000113F17 E84 V102 F108 V112F17-V82 HydrophobicContact CE1-CG1 3.66Å; F17-V82 HydrophobicContact CZ-CG1 3.89Å; V82-E84 VanDerWaalsContact C-N 3.31Å; V82-V102 HydrophobicContact CG1-CG1 4.15Å; V82-F108 HydrophobicContact CG1-CB 4.42Å; V82-F108 HydrophobicContact CG2-CB 4.43Å; V82-F108 HydrophobicContact CG2-CD1 3.88Å; V82-F108 HydrophobicContact CG2-CG 4.45Å; V82-V112 HydrophobicContact CG1-CG2 3.97Å
83G96.9Very high97.3Very high50 Ų5057.3 Ų57.352%0.51533%0.33SS..THydrogen-bonded Turntrans-77.1-12.8172.800000114.4D81 P85D81-G83 PolarHBondContact O-N 2.83Å; D81-G83 PolarHBondContact OD1-N 2.88Å; G83-P85 WeakPolarHBondContact O-CD 3.25Å
84E98.1Very high97.7Very high123 Ų12354.6 Ų54.658%0.57531%0.309SS*.  trans-122.889.8-171.8-61.8-58.2147.800110.5D81 V82 D86 S87 L88D81-E84 HydrophobicContact CB-CB 4.24Å; D81-E84 HydrophobicContact CB-CG 4.13Å; D81-E84 PolarHBondContact O-N 3.49Å; V82-E84 VanDerWaalsContact C-N 3.31Å; E84-D86 VanDerWaalsContact C-N 3.28Å; E84-D86 PolarHBondContact O-N 3.36Å; E84-S87 WeakPolarHBondContact O-CB 3.48Å; E84-S87 PolarHBondContact O-N 3.38Å; E84-S87 PolarHBondContact O-OG 3.44Å; E84-L88 PolarHBondContact O-N 3.11Å
85P98.3Very high98.1Very high91 Ų9148 Ų4859%0.59128%0.278SS*.Hα-helixtrans-54.3-38-173.3-28.835.7000114.8G83 S87 L88 A89G83-P85 WeakPolarHBondContact O-CD 3.25Å; P85-S87 VanDerWaalsContact C-N 3.28Å; P85-S87 PolarHBondContact O-N 3.14Å; P85-L88 PolarHBondContact O-N 2.88Å; P85-A89 PolarHBondContact O-N 3.34Å
86D98.5Very high98.3Very high142 Ų14248.1 Ų48.176%0.75928%0.279SS*.Hα-helixtrans-65.6-33.5179.2-70.7-22.6000112E84 A89 A90E84-D86 VanDerWaalsContact C-N 3.28Å; E84-D86 PolarHBondContact O-N 3.36Å; D86-A89 PolarHBondContact O-N 2.95Å; D86-A90 WeakPolarHBondContact O-CB 3.28Å; D86-A90 PolarHBondContact O-N 3.47Å
87S98.6Very high98.3Very high28 Ų2844.1 Ų44.120%0.19626%0.257CS..Hα-helixtrans-67.9-40175.681.60000111.6D81 E84 P85 A90 M91D81-S87 PolarHBondContact N-OG 2.88Å; D81-S87 PolarHBondContact O-OG 2.98Å; E84-S87 WeakPolarHBondContact O-CB 3.48Å; E84-S87 PolarHBondContact O-N 3.38Å; E84-S87 PolarHBondContact O-OG 3.44Å; P85-S87 VanDerWaalsContact C-N 3.28Å; P85-S87 PolarHBondContact O-N 3.14Å; S87-A90 PolarHBondContact O-N 3.21Å; S87-M91 PolarHBondContact O-N 3.04Å
88L98.8Very high98.3Very high3 Ų342.1 Ų42.12%0.01625%0.246CC..Hα-helixtrans-65.4-42.6174.4-63.9-178.9000111.1F17 D81 E84 P85 M91 C92 P111 A115F17-L88 HydrophobicContact CE1-CD2 3.82Å; F17-L88 HydrophobicContact CE2-CD2 4.44Å; F17-L88 HydrophobicContact CZ-CD2 3.7Å; D81-L88 WeakPolarHBondContact O-CG 3.41Å; E84-L88 PolarHBondContact O-N 3.11Å; P85-L88 PolarHBondContact O-N 2.88Å; L88-M91 HydrophobicContact CD2-CE 4.29Å; L88-M91 PolarHBondContact O-N 3.44Å; L88-C92 WeakPolarHBondContact O-CB 3.31Å; L88-C92 PolarHBondContact O-N 3.44Å; L88-C92 PolarHBondContact O-SG 2.97Å; L88-P111 HydrophobicContact CD1-CB 3.85Å; L88-A115 HydrophobicContact CB-CB 3.64Å; L88-A115 HydrophobicContact CD1-CB 4.32Å
89A98.7Very high98.3Very high18 Ų1841.4 Ų41.415%0.14924%0.242CC..Hα-helixtrans-62.1-43.9176.800000111.6P85 D86 M91 C92 K93P85-A89 PolarHBondContact O-N 3.34Å; D86-A89 PolarHBondContact O-N 2.95Å; A89-M91 PolarHBondContact O-N 3.32Å; A89-C92 PolarHBondContact O-N 3.49Å; A89-K93 VanDerWaalsContact O-CG 3.32Å; A89-K93 WeakPolarHBondContact O-CG 3.47Å; A89-K93 PolarHBondContact O-N 2.89Å
90A98.6Very high98.3Very high50 Ų5037.3 Ų37.341%0.41322%0.217SC..Hα-helixtrans-61.6-41.4176.500000112.4D86 S87 Q94D86-A90 WeakPolarHBondContact O-CB 3.28Å; D86-A90 PolarHBondContact O-N 3.47Å; S87-A90 PolarHBondContact O-N 3.21Å; A90-Q94 WeakPolarHBondContact O-CG 2.96Å; A90-Q94 PolarHBondContact O-NE2 3.04Å
91M98.7Very high98.3Very high0 Ų038 Ų380%022%0.222CC..Hα-helixtrans-63.6-49.9173.1-179.8-171.869.200111.2V15 F17 A48 I78 A80 S87 L88 A89 K93 Q94 A95 V98V15-M91 HydrophobicContact CG1-CG 3.82Å; V15-M91 HydrophobicContact CG1-SD 3.92Å; F17-M91 HydrophobicContact CB-CE 4.02Å; F17-M91 HydrophobicContact CB-SD 3.9Å; F17-M91 HydrophobicContact CD1-CE 4.15Å; F17-M91 HydrophobicContact CD2-CE 4.06Å; F17-M91 HydrophobicContact CD2-SD 3.57Å; F17-M91 VanDerWaalsContact CD2-SD 3.57Å; F17-M91 HydrophobicContact CE2-SD 4.29Å; F17-M91 HydrophobicContact CG-CE 3.81Å; F17-M91 HydrophobicContact CG-SD 3.81Å; A48-M91 HydrophobicContact CB-CG 4.22Å; A48-M91 HydrophobicContact CB-SD 3.44Å; A48-M91 WeakPolarHBondContact CB-SD 3.26Å; I78-M91 HydrophobicContact CG2-CB 4.06Å; I78-M91 HydrophobicContact CG2-CG 4.15Å; A80-M91 HydrophobicContact CB-CB 4.2Å; A80-M91 HydrophobicContact CB-SD 3.97Å; S87-M91 PolarHBondContact O-N 3.04Å; L88-M91 HydrophobicContact CD2-CE 4.29Å; L88-M91 PolarHBondContact O-N 3.44Å; A89-M91 PolarHBondContact O-N 3.32Å; M91-K93 VanDerWaalsContact C-N 3.34Å; M91-K93 PolarHBondContact O-N 3.42Å; M91-Q94 PolarHBondContact O-N 2.99Å; M91-A95 PolarHBondContact O-N 3.42Å; M91-V98 HydrophobicContact CE-CG1 4.01Å; M91-V98 HydrophobicContact CE-CG2 4.34Å
92C98.7Very high98.3Very high0 Ų036.9 Ų36.90%022%0.217CC..Hα-helixtrans-62.2-39.5-175.9-68.20000111.8R10 L88 A89 Q94 A95 C116 N119 A121R10-C92 PolarHBondContact NH1-O 3.13Å; L88-C92 WeakPolarHBondContact O-CB 3.31Å; L88-C92 PolarHBondContact O-N 3.44Å; L88-C92 PolarHBondContact O-SG 2.97Å; A89-C92 PolarHBondContact O-N 3.49Å; C92-Q94 PolarHBondContact O-N 3.22Å; C92-Q94 VanDerWaalsContact O-N 3.1Å; C92-A95 PolarHBondContact O-N 3.08Å; C92-A95 VanDerWaalsContact O-N 3.1Å; C92-C116 VanDerWaalsContact SG-SG 3.69Å; C92-N119 HydrophobicContact CB-CB 3.83Å; C92-A121 HydrophobicContact CB-CB 4.06Å
93K98.3Very high97.9Very high130 Ų13037.4 Ų37.457%0.56523%0.227SC*.Hα-helixtrans-59-23.2176.9-74.9173.4-176.1175.70113.7A89 M91 N119A89-K93 VanDerWaalsContact O-CG 3.32Å; A89-K93 WeakPolarHBondContact O-CG 3.47Å; A89-K93 PolarHBondContact O-N 2.89Å; M91-K93 VanDerWaalsContact C-N 3.34Å; M91-K93 PolarHBondContact O-N 3.42Å; K93-N119 WeakPolarHBondContact CE-OD1 3.44Å; K93-N119 HydrophobicContact CG-CB 4.12Å
94Q98.3Very high97.8Very high62 Ų6235.6 Ų35.629%0.2921%0.206SC..Hα-helixtrans-93-11.8-179-63.2174.775.500113.6P11 Y12 A90 M91 C92P11-Q94 WeakPolarHBondContact CD-O 3.42Å; P11-Q94 HydrophobicContact CG-CB 4.41Å; Y12-Q94 HydrophobicContact CD2-CB 3.84Å; Y12-Q94 WeakPolarHBondContact CD2-O 3.25Å; Y12-Q94 HydrophobicContact CE2-CB 4Å; Y12-Q94 PolarHBondContact N-O 3.4Å; A90-Q94 WeakPolarHBondContact O-CG 2.96Å; A90-Q94 PolarHBondContact O-NE2 3.04Å; M91-Q94 PolarHBondContact O-N 2.99Å; C92-Q94 PolarHBondContact O-N 3.22Å; C92-Q94 VanDerWaalsContact O-N 3.1Å
95A98.4Very high97.7Very high0 Ų030.4 Ų30.40%018%0.182CC..EExtended strand (participates in β ladder)trans-110.1135.2-171.700000112.3R10 Y12 V15 M91 C92 V98 A121R10-A95 WeakPolarHBondContact CD-O 3.31Å; R10-A95 PolarHBondContact NH1-O 3.41Å; Y12-A95 CarbonylContact O-C 3.49Å; Y12-A95 WeakPolarHBondContact O-CA 3.34Å; V15-A95 HydrophobicContact CB-CB 3.92Å; V15-A95 HydrophobicContact CG2-CB 3.49Å; V15-A95 VanDerWaalsContact CG2-CB 3.49Å; M91-A95 PolarHBondContact O-N 3.42Å; C92-A95 PolarHBondContact O-N 3.08Å; C92-A95 VanDerWaalsContact O-N 3.1Å; A95-V98 HydrophobicContact CB-CG2 3.86Å; A95-A121 WeakPolarHBondContact O-CB 3.44Å
96V98.2Very high97.5Very high12 Ų1228.2 Ų28.27%0.07316%0.161CC..EExtended strand (participates in β ladder)trans-70.9-47.8162.5-1790000109.8R10 Y12 H13 H122 L389R10-V96 HydrophobicContact CB-CG2 4.04Å; Y12-V96 PolarHBondContact O-N 2.83Å; H13-V96 WeakPolarHBondContact O-CB 3.32Å; V96-H122 WeakPolarHBondContact O-CB 3.4Å; V96-H122 PolarHBondContact O-CD2 2.97Å; V96-H122 PolarHBondContact O-N 2.83Å; V96-L389 HydrophobicContact CB-CD2 4.32Å; V96-L389 HydrophobicContact CG1-CD2 3.71Å
97I98.8Very high97.3Very high0 Ų026.1 Ų26.10%015%0.146CC..EExtended strand (participates in β ladder)trans-128.3131.5176.2-43.2-175.2000109.9H13 L14 V15 L99 H122 I124 A385 M388 L389H13-I97 PolarHBondContact O-N 3.36Å; L14-I97 CarbonylContact C-O 3.57Å; L14-I97 WeakPolarHBondContact CA-O 3.5Å; L14-I97 HydrophobicContact CD2-CB 3.85Å; L14-I97 HydrophobicContact CD2-CD1 4.02Å; L14-I97 HydrophobicContact CD2-CG1 4.18Å; V15-I97 PolarHBondContact N-O 2.83Å; I97-L99 HydrophobicContact CG2-CD2 3.97Å; I97-H122 CarbonylContact C-O 3.58Å; I97-H122 WeakPolarHBondContact CA-O 3.49Å; I97-H122 HydrophobicContact CB-CB 4.44Å; I97-H122 HydrophobicContact CG1-CB 4.18Å; I97-H122 HydrophobicContact CG2-CB 4.28Å; I97-I124 HydrophobicContact CG2-CB 4.44Å; I97-I124 HydrophobicContact CG2-CD1 4.06Å; I97-I124 HydrophobicContact CG2-CG1 4.01Å; I97-A385 HydrophobicContact CD1-CB 4.32Å; I97-M388 HydrophobicContact CD1-CB 4.21Å; I97-M388 HydrophobicContact CD1-CE 3.31Å; I97-M388 HydrophobicContact CD1-SD 4.22Å; I97-M388 HydrophobicContact CG1-CE 3.63Å; I97-M388 HydrophobicContact CG2-CE 4.48Å; I97-L389 HydrophobicContact CD1-CD1 4.29Å; I97-L389 HydrophobicContact CD1-CD2 3.75Å; I97-L389 HydrophobicContact CD1-CG 3.61Å; I97-L389 HydrophobicContact CG1-CD2 4.02Å; I97-L389 HydrophobicContact CG1-CG 4.38Å
98V98.9Very high97.2Very high0 Ų028.9 Ų28.90%015%0.154CC..EExtended strand (participates in β ladder)trans-95.3119166.3178.40000108.8V15 F17 M91 A95 N100 V112 A121 H122 I124V15-V98 WeakPolarHBondContact O-CA 3.15Å; F17-V98 HydrophobicContact CB-CG1 3.95Å; M91-V98 HydrophobicContact CE-CG1 4.01Å; M91-V98 HydrophobicContact CE-CG2 4.34Å; A95-V98 HydrophobicContact CB-CG2 3.86Å; V98-N100 PolarHBondContact O-N 3.42Å; V98-V112 HydrophobicContact CG1-CG1 4.19Å; V98-A121 HydrophobicContact CG2-CB 4.24Å; V98-H122 PolarHBondContact N-O 2.66Å; V98-I124 PolarHBondContact O-N 2.97Å
99L98.9Very high97.1Very high0 Ų028.7 Ų28.70%015%0.154CC..EExtended strand (participates in β ladder)trans-87.596.6169.8-56.8-170.5000108L14 V15 I16 F17 V27 V31 I97 C101 I124 M381 A385L14-L99 HydrophobicContact CD1-CD1 4.33Å; V15-L99 PolarHBondContact O-N 3.1Å; I16-L99 HydrophobicContact CG1-CD1 4.27Å; F17-L99 PolarHBondContact N-O 2.86Å; V27-L99 HydrophobicContact CG1-CD1 4.28Å; V31-L99 HydrophobicContact CG2-CD1 4.18Å; I97-L99 HydrophobicContact CG2-CD2 3.97Å; L99-C101 PolarHBondContact O-N 2.95Å; L99-I124 CarbonylContact C-O 3.56Å; L99-I124 HydrophobicContact CD2-CB 3.93Å; L99-I124 HydrophobicContact CD2-CD1 4.44Å; L99-I124 HydrophobicContact CD2-CG2 4.31Å; L99-M381 HydrophobicContact CB-CE 3.51Å; L99-M381 HydrophobicContact CB-SD 4.16Å; L99-M381 HydrophobicContact CD2-CE 4.2Å; L99-M381 HydrophobicContact CG-CE 4.36Å; L99-A385 HydrophobicContact CD2-CB 3.67Å
100N98.8Very high97.1Very high0 Ų031.6 Ų31.60%016%0.164CC..EExtended strand (participates in β ladder)trans-82.4116.4-177.6-174.519.4000110.8V98 V102 Y105 V112 H123 I124 D125V98-N100 PolarHBondContact O-N 3.42Å; N100-V102 WeakPolarHBondContact OD1-CB 3.32Å; N100-V102 PolarHBondContact OD1-N 3.31Å; N100-Y105 WeakPolarHBondContact ND2-CE1 3.12Å; N100-Y105 PolarHBondContact O-OH 3.35Å; N100-V112 HydrophobicContact CB-CG1 4.26Å; N100-H123 WeakPolarHBondContact CB-NE2 3.33Å; N100-H123 PolarHBondContact ND2-NE2 2.93Å; N100-I124 PolarHBondContact N-O 3.43Å; N100-D125 HydrophobicContact CB-CB 4.23Å
101C98.2Very high97.1Very high15 Ų1531.5 Ų31.510%0.10116%0.159CC..  trans-113.515.6174.2-64.50000112.1F17 L99 G103F17-C101 WeakPolarHBondContact O-CA 3.32Å; F17-C101 WeakPolarHBondContact O-CB 3.37Å; F17-C101 PolarHBondContact O-N 2.86Å; L99-C101 PolarHBondContact O-N 2.95Å; C101-G103 PolarHBondContact O-N 3.02Å
102V96.1Very high97.1Very high25 Ų2531.5 Ų31.515%0.15216%0.159CC..  trans-89.895.4-176.1-173.10000110.7F17 V82 N100 F108F17-V102 HydrophobicContact CD1-CB 4.47Å; F17-V102 HydrophobicContact CD1-CG2 3.47Å; F17-V102 VanDerWaalsContact CD1-CG2 3.47Å; F17-V102 HydrophobicContact CE1-CB 4.37Å; F17-V102 HydrophobicContact CE1-CG2 3.51Å; F17-V102 HydrophobicContact CG-CG2 4.08Å; F17-V102 HydrophobicContact CZ-CG2 4.13Å; V82-V102 HydrophobicContact CG1-CG1 4.15Å; N100-V102 WeakPolarHBondContact OD1-CB 3.32Å; N100-V102 PolarHBondContact OD1-N 3.31Å; V102-F108 HydrophobicContact CG1-CB 3.7Å; V102-F108 HydrophobicContact CG1-CG 4.36Å
103G89.7Confident97.1Very high37 Ų3731.5 Ų31.538%0.38116%0.159SC..SBendtrans-106.9167.417200000113.7C101C101-G103 PolarHBondContact O-N 3.02Å
104P93.8Very high97.1Very high11 Ų1129.7 Ų29.77%0.07115%0.151CC..SBendcis-66.4134.8-6.8-20.333.6000112.7R106 F107 F108 E129 Q201P104-R106 PolarHBondContact O-N 3.24Å; P104-F107 HydrophobicContact CB-CD2 4Å; P104-F107 HydrophobicContact CB-CE2 4.37Å; P104-F107 HydrophobicContact CG-CD2 4.38Å; P104-F107 PolarHBondContact O-N 3.4Å; P104-F108 WeakPolarHBondContact O-CD2 3.42Å; P104-F108 PolarHBondContact O-N 3.18Å; P104-E129 WeakPolarHBondContact CA-OE1 3.45Å; P104-Q201 HydrophobicContact CG-CB 4.25Å
105Y95.9Very high97.1Very high14 Ų1427 Ų276%0.05514%0.14CC..Hα-helixtrans-71.2-32-164.8-75.8-92.2000113.2N100 F107 F108 G109 D125 I126 E129 F132N100-Y105 WeakPolarHBondContact ND2-CE1 3.12Å; N100-Y105 PolarHBondContact O-OH 3.35Å; Y105-F107 PolarHBondContact O-N 3.38Å; Y105-F107 VanDerWaalsContact O-N 3.09Å; Y105-F108 PolarHBondContact O-N 2.94Å; Y105-G109 VanDerWaalsContact O-CA 3.31Å; Y105-G109 WeakPolarHBondContact O-CA 3.44Å; Y105-G109 PolarHBondContact O-N 2.88Å; Y105-D125 HydrophobicContact CD1-CB 4.32Å; Y105-D125 HydrophobicContact CE1-CB 3.57Å; Y105-I126 HydrophobicContact CE2-CG1 4.49Å; Y105-I126 WeakPolarHBondContact OH-CG1 3.23Å; Y105-I126 PolarHBondContact OH-N 3.32Å; Y105-E129 PolarHBondContact N-OE1 3.37Å; Y105-E129 PolarHBondContact N-OE2 2.91Å; Y105-F132 HydrophobicContact CD1-CD1 4.35Å; Y105-F132 AromaticContact CD1-CE1 3.84Å; Y105-F132 HydrophobicContact CD1-CE1 3.84Å; Y105-F132 HydrophobicContact CD1-CZ 4.09Å; Y105-F132 HydrophobicContact CG-CD1 4.24Å; Y105-F132 HydrophobicContact CG-CE1 4.2Å; Y105-F132 WeakPolarHBondContact O-CD2 3.41Å
106R94.2Very high97.2Very high45 Ų4527 Ų2717%0.1714%0.14CC..Hα-helixtrans-49.3-32.4170.8163.8-177.2-64.4-81.13.5114P104 E129 Q131 D209P104-R106 PolarHBondContact O-N 3.24Å; R106-E129 WeakPolarHBondContact CB-OE2 3.32Å; R106-E129 PolarHBondContact N-OE2 3.16Å; R106-Q131 VanDerWaalsContact CZ-CD 3.46Å; R106-D209 VanDerWaalsContact CZ-CB 3.48Å; R106-D209 VanDerWaalsContact CZ-CG 3.4Å; R106-D209 IonicContact CZ-OD2 2.77Å; R106-D209 IonicContact NH1-OD1 3.86Å; R106-D209 PolarHBondContact NH1-OD1 2.95Å; R106-D209 IonicContact NH1-OD2 3.68Å; R106-D209 PolarHBondContact NH1-OD2 3.41Å; R106-D209 VanDerWaalsContact NH2-CB 3.27Å; R106-D209 VanDerWaalsContact NH2-CG 3.33Å; R106-D209 IonicContact NH2-OD2 3.35Å; R106-D209 PolarHBondContact NH2-OD2 3.24Å
107F94.3Very high97.2Very high98 Ų9826.5 Ų26.543%0.4314%0.137SC..Hα-helixtrans-100.4-35.6-177.7-55.5-57.3000112.5P104 Y105 Y205P104-F107 HydrophobicContact CB-CD2 4Å; P104-F107 HydrophobicContact CB-CE2 4.37Å; P104-F107 HydrophobicContact CG-CD2 4.38Å; P104-F107 PolarHBondContact O-N 3.4Å; Y105-F107 PolarHBondContact O-N 3.38Å; Y105-F107 VanDerWaalsContact O-N 3.09Å; F107-Y205 HydrophobicContact CE2-CD1 4.19Å; F107-Y205 AromaticContact CE2-CD2 3.55Å; F107-Y205 HydrophobicContact CE2-CD2 3.55Å; F107-Y205 HydrophobicContact CE2-CE1 4.41Å; F107-Y205 AromaticContact CE2-CE2 3.82Å; F107-Y205 HydrophobicContact CE2-CE2 3.82Å; F107-Y205 AromaticContact CE2-CG 3.75Å; F107-Y205 HydrophobicContact CE2-CG 3.75Å; F107-Y205 AromaticContact CZ-CD1 3.69Å; F107-Y205 HydrophobicContact CZ-CD1 3.69Å; F107-Y205 AromaticContact CZ-CD2 3.94Å; F107-Y205 HydrophobicContact CZ-CD2 3.94Å; F107-Y205 AromaticContact CZ-CE1 3.99Å; F107-Y205 HydrophobicContact CZ-CE1 3.99Å; F107-Y205 HydrophobicContact CZ-CE2 4.23Å; F107-Y205 AromaticContact CZ-CG 3.66Å; F107-Y205 HydrophobicContact CZ-CG 3.66Å
108F96.4Very high97.2Very high86 Ų8630.4 Ų30.438%0.37716%0.155SC..Hα-helixtrans-119.3-10.2-167.3-53.6-56.1000114.5V82 V102 P104 Y105V82-F108 HydrophobicContact CG1-CB 4.42Å; V82-F108 HydrophobicContact CG2-CB 4.43Å; V82-F108 HydrophobicContact CG2-CD1 3.88Å; V82-F108 HydrophobicContact CG2-CG 4.45Å; V102-F108 HydrophobicContact CG1-CB 3.7Å; V102-F108 HydrophobicContact CG1-CG 4.36Å; P104-F108 WeakPolarHBondContact O-CD2 3.42Å; P104-F108 PolarHBondContact O-N 3.18Å; Y105-F108 PolarHBondContact O-N 2.94Å
109G97.4Very high97.2Very high0 Ų032 Ų320%016%0.163CC..Hα-helixtrans-78.1-40.9-173.600000113.9Y105 V112 V113 F132Y105-G109 VanDerWaalsContact O-CA 3.31Å; Y105-G109 WeakPolarHBondContact O-CA 3.44Å; Y105-G109 PolarHBondContact O-N 2.88Å; G109-V112 WeakPolarHBondContact O-CB 3.5Å; G109-V112 PolarHBondContact O-N 3.1Å; G109-V112 VanDerWaalsContact O-N 3.13Å; G109-V113 PolarHBondContact O-N 3.32Å; G109-V113 VanDerWaalsContact O-N 3.1Å; G109-F132 VanDerWaalsContact C-CE2 3.48Å
110E98.3Very high97.1Very high79 Ų7933.3 Ų33.337%0.36918%0.177SC..Hα-helixtrans-60.6-44.5-174.8178.1166.8-157.200113.6V112 V113 K114 M136 Y140E110-V112 PolarHBondContact O-N 2.82Å; E110-V113 PolarHBondContact O-N 3.14Å; E110-K114 WeakPolarHBondContact O-CB 3.44Å; E110-K114 PolarHBondContact O-N 3.18Å; E110-M136 HydrophobicContact CB-CE 3.69Å; E110-M136 HydrophobicContact CB-SD 3.99Å; E110-M136 HydrophobicContact CG-CE 3.71Å; E110-M136 HydrophobicContact CG-SD 4.07Å; E110-Y140 HydrophobicContact CG-CE2 3.93Å; E110-Y140 WeakPolarHBondContact CG-OH 3.28Å; E110-Y140 WeakPolarHBondContact OE1-CE2 2.91Å; E110-Y140 PolarHBondContact OE1-OH 3.08Å
111P98.6Very high97.1Very high47 Ų4733.3 Ų33.331%0.30518%0.177SC..Hα-helixtrans-54.7-36.7175.2-27.735.9000113.3L88 A115L88-P111 HydrophobicContact CD1-CB 3.85Å; P111-A115 WeakPolarHBondContact O-CB 3.42Å; P111-A115 PolarHBondContact O-N 2.98Å
112V98.8Very high97.1Very high0 Ų034.4 Ų34.40%018%0.181CC..Hα-helixtrans-71.5-45.5179.2-171.30000111F17 V82 V98 N100 G109 E110 K114 A115 C116F17-V112 HydrophobicContact CD1-CG1 4.08Å; F17-V112 HydrophobicContact CD1-CG2 3.81Å; F17-V112 HydrophobicContact CE1-CG2 3.55Å; V82-V112 HydrophobicContact CG1-CG2 3.97Å; V98-V112 HydrophobicContact CG1-CG1 4.19Å; N100-V112 HydrophobicContact CB-CG1 4.26Å; G109-V112 WeakPolarHBondContact O-CB 3.5Å; G109-V112 PolarHBondContact O-N 3.1Å; G109-V112 VanDerWaalsContact O-N 3.13Å; E110-V112 PolarHBondContact O-N 2.82Å; V112-K114 VanDerWaalsContact C-N 3.35Å; V112-K114 PolarHBondContact O-N 2.95Å; V112-A115 PolarHBondContact O-N 3.32Å; V112-C116 WeakPolarHBondContact O-CB 3.48Å; V112-C116 PolarHBondContact O-N 3.02Å; V112-C116 PolarHBondContact O-SG 3.02Å
113V98.8Very high97.2Very high0 Ų033.2 Ų33.20%017%0.173CC..Hα-helixtrans-59.6-47.7176.3171.80000110.4G109 E110 A115 C116 V117 F132 M136 Y140 V151G109-V113 PolarHBondContact O-N 3.32Å; G109-V113 VanDerWaalsContact O-N 3.1Å; E110-V113 PolarHBondContact O-N 3.14Å; V113-A115 PolarHBondContact O-N 2.7Å; V113-C116 WeakPolarHBondContact O-CB 3.38Å; V113-C116 PolarHBondContact O-N 2.72Å; V113-V117 HydrophobicContact CG1-CG2 4.42Å; V113-V117 WeakPolarHBondContact O-CG2 3.38Å; V113-V117 PolarHBondContact O-N 3.48Å; V113-F132 HydrophobicContact CG2-CE2 4.46Å; V113-F132 HydrophobicContact CG2-CZ 3.99Å; V113-M136 HydrophobicContact CB-SD 3.76Å; V113-M136 HydrophobicContact CG1-CG 4.38Å; V113-M136 HydrophobicContact CG1-SD 3.82Å; V113-M136 HydrophobicContact CG2-CG 4.06Å; V113-M136 HydrophobicContact CG2-SD 3.83Å; V113-Y140 HydrophobicContact CG1-CD2 3.99Å; V113-Y140 HydrophobicContact CG1-CE2 4.47Å; V113-Y140 HydrophobicContact CG1-CG 4.04Å; V113-V151 HydrophobicContact CG1-CG1 4.07Å; V113-V151 HydrophobicContact CG1-CG2 4.26Å; V113-V151 HydrophobicContact CG2-CG1 4.3Å
114K98.8Very high97.7Very high92 Ų9231.4 Ų31.440%0.416%0.155SC..Hα-helixtrans-55.9-51.4176.4-177.1-176175.6-164.50111.2E110 V112 C116 V117 E118 Y140E110-K114 WeakPolarHBondContact O-CB 3.44Å; E110-K114 PolarHBondContact O-N 3.18Å; V112-K114 VanDerWaalsContact C-N 3.35Å; V112-K114 PolarHBondContact O-N 2.95Å; K114-C116 VanDerWaalsContact C-N 3.31Å; K114-C116 PolarHBondContact O-N 3.35Å; K114-V117 PolarHBondContact O-N 2.81Å; K114-E118 VanDerWaalsContact CE-CD 3.5Å; K114-E118 WeakPolarHBondContact CE-OE1 3.48Å; K114-E118 HydrophobicContact CG-CG 4.33Å; K114-E118 IonicContact NZ-OE1 2.75Å; K114-E118 VanDerWaalsContact O-CB 3.32Å; K114-E118 WeakPolarHBondContact O-CB 3.49Å; K114-E118 WeakPolarHBondContact O-CG 3.47Å; K114-E118 PolarHBondContact O-N 3Å; K114-Y140 HydrophobicContact CB-CE1 3.85Å; K114-Y140 HydrophobicContact CG-CE1 4.04Å
115A98.8Very high97.9Very high7 Ų731 Ų316%0.05815%0.152CC..Hα-helixtrans-61.3-39.3179.900000112.5L88 P111 V112 V113 N119L88-A115 HydrophobicContact CB-CB 3.64Å; L88-A115 HydrophobicContact CD1-CB 4.32Å; P111-A115 WeakPolarHBondContact O-CB 3.42Å; P111-A115 PolarHBondContact O-N 2.98Å; V112-A115 PolarHBondContact O-N 3.32Å; V113-A115 PolarHBondContact O-N 2.7Å; A115-N119 VanDerWaalsContact O-CB 3.32Å; A115-N119 WeakPolarHBondContact O-CB 3.46Å; A115-N119 PolarHBondContact O-N 3.25Å; A115-N119 PolarHBondContact O-ND2 3.4Å
116C98.9Very high98Very high0 Ų031 Ų310%015%0.153CC..Hα-helixtrans-62.1-53.4176.5-710000111.2C92 V112 V113 K114 E118 N119 G120 A121 H123C92-C116 VanDerWaalsContact SG-SG 3.69Å; V112-C116 WeakPolarHBondContact O-CB 3.48Å; V112-C116 PolarHBondContact O-N 3.02Å; V112-C116 PolarHBondContact O-SG 3.02Å; V113-C116 WeakPolarHBondContact O-CB 3.38Å; V113-C116 PolarHBondContact O-N 2.72Å; K114-C116 VanDerWaalsContact C-N 3.31Å; K114-C116 PolarHBondContact O-N 3.35Å; C116-E118 VanDerWaalsContact C-N 3.33Å; C116-E118 PolarHBondContact O-N 3.44Å; C116-N119 CarbonylContact O-C 3.59Å; C116-N119 PolarHBondContact O-N 3.27Å; C116-G120 PolarHBondContact O-N 3.18Å; C116-A121 CarbonylContact C-O 3.51Å; C116-A121 HydrophobicContact CB-CB 4.38Å; C116-A121 WeakPolarHBondContact CB-O 3.45Å; C116-A121 PolarHBondContact O-N 2.9Å; C116-A121 VanDerWaalsContact O-O 3.14Å; C116-H123 HydrophobicContact CB-CB 4.02Å
117V98.8Very high98.1Very high0 Ų028.9 Ų28.90%015%0.145CC..Hα-helixtrans-59.5-45.3177.6173.90000110.5V113 K114 N119 Q143 A144 K147 V149 V151V113-V117 HydrophobicContact CG1-CG2 4.42Å; V113-V117 WeakPolarHBondContact O-CG2 3.38Å; V113-V117 PolarHBondContact O-N 3.48Å; K114-V117 PolarHBondContact O-N 2.81Å; V117-N119 VanDerWaalsContact C-N 3.31Å; V117-N119 PolarHBondContact O-N 3.44Å; V117-Q143 HydrophobicContact CG1-CB 3.99Å; V117-Q143 HydrophobicContact CG1-CG 3.64Å; V117-A144 HydrophobicContact CG1-CB 4.42Å; V117-A144 HydrophobicContact CG2-CB 4.04Å; V117-K147 HydrophobicContact CG1-CD 4.47Å; V117-K147 WeakPolarHBondContact O-CD 3.49Å; V117-V149 HydrophobicContact CG2-CG1 4.24Å; V117-V151 HydrophobicContact CG2-CG2 3.79Å
118E98.6Very high98.1Very high83 Ų8325.4 Ų25.439%0.38814%0.137SC..Hα-helixtrans-64.1-36.1-177.9-76.5179.3167.400113.1K114 C116 K147K114-E118 VanDerWaalsContact CE-CD 3.5Å; K114-E118 WeakPolarHBondContact CE-OE1 3.48Å; K114-E118 HydrophobicContact CG-CG 4.33Å; K114-E118 IonicContact NZ-OE1 2.75Å; K114-E118 VanDerWaalsContact O-CB 3.32Å; K114-E118 WeakPolarHBondContact O-CB 3.49Å; K114-E118 WeakPolarHBondContact O-CG 3.47Å; K114-E118 PolarHBondContact O-N 3Å; C116-E118 VanDerWaalsContact C-N 3.33Å; C116-E118 PolarHBondContact O-N 3.44Å; E118-K147 VanDerWaalsContact CA-NZ 3.35Å; E118-K147 PolarHBondContact O-NZ 3.5Å
119N98.4Very high98.1Very high32 Ų3222 Ų2217%0.17112%0.122CC..Hα-helixtrans-106.812.4-173.5-63.5-85000113.7R10 C92 K93 A115 C116 V117 A121R10-N119 PolarHBondContact NH1-O 3.05Å; R10-N119 PolarHBondContact NH2-O 2.97Å; C92-N119 HydrophobicContact CB-CB 3.83Å; K93-N119 WeakPolarHBondContact CE-OD1 3.44Å; K93-N119 HydrophobicContact CG-CB 4.12Å; A115-N119 VanDerWaalsContact O-CB 3.32Å; A115-N119 WeakPolarHBondContact O-CB 3.46Å; A115-N119 PolarHBondContact O-N 3.25Å; A115-N119 PolarHBondContact O-ND2 3.4Å; C116-N119 CarbonylContact O-C 3.59Å; C116-N119 PolarHBondContact O-N 3.27Å; V117-N119 VanDerWaalsContact C-N 3.31Å; V117-N119 PolarHBondContact O-N 3.44Å; N119-A121 VanDerWaalsContact C-N 3.32Å; N119-A121 PolarHBondContact O-N 3.17Å
120G97.6Very high98Very high28 Ų2823.2 Ų23.229%0.28913%0.13SC..THydrogen-bonded Turntrans70.721.5173.300000115R10 C116R10-G120 PolarHBondContact NH2-O 3.04Å; R10-G120 VanDerWaalsContact NH2-O 3.09Å; C116-G120 PolarHBondContact O-N 3.18Å
121A98.5Very high97.8Very high0 Ų021.8 Ų21.80%012%0.124CC..  trans-92.5139.1171.100000109.4C92 A95 V98 C116 N119 V149C92-A121 HydrophobicContact CB-CB 4.06Å; A95-A121 WeakPolarHBondContact O-CB 3.44Å; V98-A121 HydrophobicContact CG2-CB 4.24Å; C116-A121 CarbonylContact C-O 3.51Å; C116-A121 HydrophobicContact CB-CB 4.38Å; C116-A121 WeakPolarHBondContact CB-O 3.45Å; C116-A121 PolarHBondContact O-N 2.9Å; C116-A121 VanDerWaalsContact O-O 3.14Å; N119-A121 VanDerWaalsContact C-N 3.32Å; N119-A121 PolarHBondContact O-N 3.17Å; A121-V149 WeakPolarHBondContact O-CG1 3.48Å
122H98.8Very high97.8Very high38 Ų3819.9 Ų19.918%0.17611%0.111CC..EExtended strand (participates in β ladder)trans-72.2156.7168.7-55.9-46.1000110.9V96 I97 V98 G148 F150 M388V96-H122 WeakPolarHBondContact O-CB 3.4Å; V96-H122 PolarHBondContact O-CD2 2.97Å; V96-H122 PolarHBondContact O-N 2.83Å; I97-H122 CarbonylContact C-O 3.58Å; I97-H122 WeakPolarHBondContact CA-O 3.49Å; I97-H122 HydrophobicContact CB-CB 4.44Å; I97-H122 HydrophobicContact CG1-CB 4.18Å; I97-H122 HydrophobicContact CG2-CB 4.28Å; V98-H122 PolarHBondContact N-O 2.66Å; H122-G148 PolarHBondContact CE1-O 3.4Å; H122-F150 CarbonylContact C-O 3.53Å; H122-F150 WeakPolarHBondContact CA-O 3.43Å; H122-F150 AromaticContact CE1-CD2 3.73Å; H122-F150 AromaticContact ND1-CD2 3.93Å; H122-F150 PolarHBondContact ND1-N 2.81Å; H122-M388 HydrophobicContact CB-CE 3.25Å; H122-M388 HydrophobicContact CB-SD 4.31Å; H122-M388 WeakPolarHBondContact CD2-CE 3.25Å
123H98.9Very high97.7Very high0 Ų020 Ų200%011%0.112CC..EExtended strand (participates in β ladder)trans-130.5131.9-175.4176.1-87000110.2N100 C116 D125 F150 V151 I152N100-H123 WeakPolarHBondContact CB-NE2 3.33Å; N100-H123 PolarHBondContact ND2-NE2 2.93Å; C116-H123 HydrophobicContact CB-CB 4.02Å; H123-D125 IonicContact CE1-OD2 3.75Å; H123-D125 PolarHBondContact CE1-OD2 2.91Å; H123-D125 VanDerWaalsContact CE1-OD2 3.25Å; H123-D125 IonicContact ND1-OD2 3.04Å; H123-F150 PolarHBondContact N-O 3.23Å; H123-V151 HydrophobicContact CB-CB 4.43Å; H123-V151 HydrophobicContact CB-CG1 4.26Å; H123-V151 HydrophobicContact CB-CG2 4.21Å; H123-V151 CarbonylContact O-C 3.5Å; H123-V151 WeakPolarHBondContact O-CA 3.36Å; H123-I152 PolarHBondContact O-N 3.03Å
124I98.9Very high97.6Very high0 Ų020.6 Ų20.60%011%0.114CC..EExtended strand (participates in β ladder)trans-130.4133.1170.8-66.5-178.2000107.8I97 V98 L99 N100 I152 C155 M381 A385 M388I97-I124 HydrophobicContact CG2-CB 4.44Å; I97-I124 HydrophobicContact CG2-CD1 4.06Å; I97-I124 HydrophobicContact CG2-CG1 4.01Å; V98-I124 PolarHBondContact O-N 2.97Å; L99-I124 CarbonylContact C-O 3.56Å; L99-I124 HydrophobicContact CD2-CB 3.93Å; L99-I124 HydrophobicContact CD2-CD1 4.44Å; L99-I124 HydrophobicContact CD2-CG2 4.31Å; N100-I124 PolarHBondContact N-O 3.43Å; I124-I152 WeakPolarHBondContact CA-O 3.43Å; I124-I152 HydrophobicContact CG1-CB 4.38Å; I124-C155 HydrophobicContact CG2-CB 3.45Å; I124-C155 VanDerWaalsContact CG2-CB 3.45Å; I124-M381 HydrophobicContact CG2-CE 4.1Å; I124-M381 HydrophobicContact CG2-CG 3.91Å; I124-M381 WeakPolarHBondContact O-CE 3.48Å; I124-A385 HydrophobicContact CD1-CB 3.85Å; I124-M388 HydrophobicContact CD1-SD 4.17Å
125D98.6Very high97.6Very high2 Ų216.6 Ų16.61%0.01110%0.099CC..EExtended strand (participates in β ladder)trans-127.6171.3173.668.758000112.8N100 Y105 H123 S127 F132 I152 G153 S154 C155N100-D125 HydrophobicContact CB-CB 4.23Å; Y105-D125 HydrophobicContact CD1-CB 4.32Å; Y105-D125 HydrophobicContact CE1-CB 3.57Å; H123-D125 IonicContact CE1-OD2 3.75Å; H123-D125 PolarHBondContact CE1-OD2 2.91Å; H123-D125 VanDerWaalsContact CE1-OD2 3.25Å; H123-D125 IonicContact ND1-OD2 3.04Å; D125-S127 WeakPolarHBondContact OD1-CB 3.33Å; D125-S127 PolarHBondContact OD1-N 3.44Å; D125-F132 WeakPolarHBondContact OD2-CE1 3.49Å; D125-I152 PolarHBondContact N-O 2.82Å; D125-G153 VanDerWaalsContact OD1-CA 3.28Å; D125-G153 WeakPolarHBondContact OD1-CA 3.34Å; D125-S154 PolarHBondContact O-N 3.49Å; D125-S154 PolarHBondContact OD1-N 3.25Å; D125-C155 WeakPolarHBondContact O-CA 3.49Å; D125-C155 WeakPolarHBondContact O-CB 3.45Å; D125-C155 PolarHBondContact O-N 2.87Å
126I97.7Very high97.5Very high14 Ų1416.6 Ų16.67%0.07210%0.098CC..  trans-113.835.1174.156.6167.2000110.7T23 Y105 G128 T377 M381T23-I126 HydrophobicContact CG2-CD1 3.4Å; Y105-I126 HydrophobicContact CE2-CG1 4.49Å; Y105-I126 WeakPolarHBondContact OH-CG1 3.23Å; Y105-I126 PolarHBondContact OH-N 3.32Å; I126-G128 PolarHBondContact O-N 2.93Å; I126-T377 HydrophobicContact CB-CG2 4.02Å; I126-T377 HydrophobicContact CD1-CG2 3.83Å; I126-T377 HydrophobicContact CG2-CG2 3.76Å; I126-M381 HydrophobicContact CG2-CB 3.9Å; I126-M381 HydrophobicContact CG2-CE 4.19Å; I126-M381 HydrophobicContact CG2-CG 3.86Å; I126-M381 HydrophobicContact CG2-SD 3.64Å
127S96.9Very high97.5Very high0 Ų018.8 Ų18.80%011%0.108CC..  trans-75.4126.3-175.9-173.50000112D125 E129 F132 S154D125-S127 WeakPolarHBondContact OD1-CB 3.33Å; D125-S127 PolarHBondContact OD1-N 3.44Å; S127-E129 PolarHBondContact OG-N 3.16Å; S127-F132 WeakPolarHBondContact OG-CD1 3.47Å; S127-S154 WeakPolarHBondContact O-CA 3.27Å; S127-S154 WeakPolarHBondContact O-CB 3.42Å; S127-S154 PolarHBondContact O-OG 3.13Å
128G94.6Very high97.4Very high26 Ų2621.5 Ų21.527%0.26812%0.122SC..  trans-94.522.116600000114.2I126 P130 D158 S254I126-G128 PolarHBondContact O-N 2.93Å; G128-P130 WeakPolarHBondContact O-CD 3.46Å; G128-D158 PolarHBondContact N-OD2 3.26Å; G128-S254 WeakPolarHBondContact O-CB 3.28Å
129E95.6Very high97.4Very high13 Ų1322 Ų226%0.06113%0.127CC..  trans-109.699.9-171.8-63174-149.700112.3P104 Y105 R106 S127 Q131 F132 L133 S202P104-E129 WeakPolarHBondContact CA-OE1 3.45Å; Y105-E129 PolarHBondContact N-OE1 3.37Å; Y105-E129 PolarHBondContact N-OE2 2.91Å; R106-E129 WeakPolarHBondContact CB-OE2 3.32Å; R106-E129 PolarHBondContact N-OE2 3.16Å; S127-E129 PolarHBondContact OG-N 3.16Å; E129-Q131 VanDerWaalsContact C-N 3.26Å; E129-Q131 PolarHBondContact O-N 3.41Å; E129-Q131 VanDerWaalsContact O-N 3.09Å; E129-F132 HydrophobicContact CB-CB 4.15Å; E129-F132 PolarHBondContact O-N 3.3Å; E129-F132 VanDerWaalsContact O-N 3.09Å; E129-L133 WeakPolarHBondContact O-CG 3.41Å; E129-L133 PolarHBondContact O-N 3.27Å; E129-S202 PolarHBondContact OE1-OG 3.25Å
130P95.3Very high97.4Very high26 Ų2621.5 Ų21.517%0.16912%0.123CC..Hα-helixtrans-56.5-33.6-173.9-29.436.4000115.3G128 E134 L213G128-P130 WeakPolarHBondContact O-CD 3.46Å; P130-E134 VanDerWaalsContact O-CB 3.23Å; P130-E134 WeakPolarHBondContact O-CB 3.48Å; P130-E134 VanDerWaalsContact O-CG 3.27Å; P130-E134 WeakPolarHBondContact O-CG 3.36Å; P130-E134 PolarHBondContact O-N 3.02Å; P130-L213 HydrophobicContact CB-CD1 4.1Å; P130-L213 HydrophobicContact CB-CD2 3.96Å
131Q95.1Very high97.4Very high49 Ų4921.7 Ų21.723%0.22912%0.12CC..Hα-helixtrans-68.9-39.8180179.4-94.7-5.700112.2R106 E129 G135 L213 L216R106-Q131 VanDerWaalsContact CZ-CD 3.46Å; E129-Q131 VanDerWaalsContact C-N 3.26Å; E129-Q131 PolarHBondContact O-N 3.41Å; E129-Q131 VanDerWaalsContact O-N 3.09Å; Q131-G135 WeakPolarHBondContact O-CA 3.15Å; Q131-G135 PolarHBondContact O-N 3.33Å; Q131-L213 HydrophobicContact CB-CB 4.31Å; Q131-L213 HydrophobicContact CB-CD1 4.09Å; Q131-L216 HydrophobicContact CG-CD2 4.3Å; Q131-L216 WeakPolarHBondContact O-CD2 3.18Å
132F96.9Very high97.4Very high7 Ų726.5 Ų26.53%0.03115%0.154CC..Hα-helixtrans-65.4-52.3172.8167.1-103000110Y105 G109 V113 D125 S127 E129 E134 G135 M136Y105-F132 HydrophobicContact CD1-CD1 4.35Å; Y105-F132 AromaticContact CD1-CE1 3.84Å; Y105-F132 HydrophobicContact CD1-CE1 3.84Å; Y105-F132 HydrophobicContact CD1-CZ 4.09Å; Y105-F132 HydrophobicContact CG-CD1 4.24Å; Y105-F132 HydrophobicContact CG-CE1 4.2Å; Y105-F132 WeakPolarHBondContact O-CD2 3.41Å; G109-F132 VanDerWaalsContact C-CE2 3.48Å; V113-F132 HydrophobicContact CG2-CE2 4.46Å; V113-F132 HydrophobicContact CG2-CZ 3.99Å; D125-F132 WeakPolarHBondContact OD2-CE1 3.49Å; S127-F132 WeakPolarHBondContact OG-CD1 3.47Å; E129-F132 HydrophobicContact CB-CB 4.15Å; E129-F132 PolarHBondContact O-N 3.3Å; E129-F132 VanDerWaalsContact O-N 3.09Å; F132-E134 PolarHBondContact O-N 3.41Å; F132-G135 PolarHBondContact O-N 3.17Å; F132-G135 VanDerWaalsContact O-N 3.08Å; F132-M136 HydrophobicContact CD2-CE 4.21Å; F132-M136 HydrophobicContact CD2-CG 3.91Å; F132-M136 HydrophobicContact CD2-SD 4.26Å; F132-M136 HydrophobicContact CE1-CG 4.17Å; F132-M136 HydrophobicContact CE2-CE 4.14Å; F132-M136 HydrophobicContact CE2-CG 3.42Å; F132-M136 VanDerWaalsContact CE2-CG 3.42Å; F132-M136 HydrophobicContact CE2-SD 3.62Å; F132-M136 HydrophobicContact CG-CG 4.45Å; F132-M136 HydrophobicContact CZ-CG 3.58Å; F132-M136 HydrophobicContact CZ-SD 4.2Å; F132-M136 WeakPolarHBondContact O-CG 3.34Å; F132-M136 PolarHBondContact O-N 3.19Å
133L97.4Very high97.4Very high4 Ų427.6 Ų27.62%0.02116%0.159CC..Hα-helixtrans-57.9-48.2-176.6-66.6167.4000113.3E129 G135 Q137 S154 V258E129-L133 WeakPolarHBondContact O-CG 3.41Å; E129-L133 PolarHBondContact O-N 3.27Å; L133-G135 VanDerWaalsContact C-N 3.35Å; L133-Q137 PolarHBondContact O-N 3.44Å; L133-S154 WeakPolarHBondContact CD1-OG 3.39Å; L133-S154 VanDerWaalsContact CD2-OG 3.25Å; L133-S154 WeakPolarHBondContact CD2-OG 3.38Å; L133-V258 HydrophobicContact CD1-CG2 3.99Å
134E97Very high97.4Very high12 Ų1227.6 Ų27.66%0.05616%0.159CC..Hα-helixtrans-71.6-32.3177.3-67.1175.5-13700110.9P130 F132 Q137 L138 L216 R217 F220 S257P130-E134 VanDerWaalsContact O-CB 3.23Å; P130-E134 WeakPolarHBondContact O-CB 3.48Å; P130-E134 VanDerWaalsContact O-CG 3.27Å; P130-E134 WeakPolarHBondContact O-CG 3.36Å; P130-E134 PolarHBondContact O-N 3.02Å; F132-E134 PolarHBondContact O-N 3.41Å; E134-Q137 PolarHBondContact O-N 3.23Å; E134-L138 PolarHBondContact O-N 3.11Å; E134-L216 HydrophobicContact CB-CD2 3.83Å; E134-R217 IonicContact OE1-CZ 3.39Å; E134-R217 IonicContact OE1-NE 2.71Å; E134-R217 PolarHBondContact OE1-NE 2.96Å; E134-R217 IonicContact OE1-NH2 2.64Å; E134-R217 PolarHBondContact OE1-NH2 3.24Å; E134-R217 WeakPolarHBondContact OE2-CG 3.17Å; E134-R217 IonicContact OE2-CZ 3.09Å; E134-R217 IonicContact OE2-NE 2.6Å; E134-R217 PolarHBondContact OE2-NE 3.29Å; E134-F220 HydrophobicContact CB-CE2 4.06Å; E134-F220 HydrophobicContact CB-CZ 4.39Å; E134-F220 WeakPolarHBondContact O-CZ 3.47Å; E134-S257 PolarHBondContact OE1-OG 3.34Å
135G97.7Very high97.4Very high7 Ų729.3 Ų29.37%0.07217%0.173CC..Hα-helixtrans-65.3-44.6176.800000111.7Q131 F132 L133 Q137 L138 N139Q131-G135 WeakPolarHBondContact O-CA 3.15Å; Q131-G135 PolarHBondContact O-N 3.33Å; F132-G135 PolarHBondContact O-N 3.17Å; F132-G135 VanDerWaalsContact O-N 3.08Å; L133-G135 VanDerWaalsContact C-N 3.35Å; G135-Q137 VanDerWaalsContact C-N 3.29Å; G135-Q137 PolarHBondContact O-N 3.08Å; G135-L138 PolarHBondContact O-N 3.32Å; G135-N139 WeakPolarHBondContact O-CB 3.17Å; G135-N139 VanDerWaalsContact O-CG 3.3Å; G135-N139 PolarHBondContact O-N 3.16Å
136M98.4Very high97.4Very high8 Ų837.4 Ų37.44%0.03921%0.211CC..Hα-helixtrans-62.1-41.2176.7-64.9-52.391.300110.8E110 V113 F132 N139 Y140 V401E110-M136 HydrophobicContact CB-CE 3.69Å; E110-M136 HydrophobicContact CB-SD 3.99Å; E110-M136 HydrophobicContact CG-CE 3.71Å; E110-M136 HydrophobicContact CG-SD 4.07Å; V113-M136 HydrophobicContact CB-SD 3.76Å; V113-M136 HydrophobicContact CG1-CG 4.38Å; V113-M136 HydrophobicContact CG1-SD 3.82Å; V113-M136 HydrophobicContact CG2-CG 4.06Å; V113-M136 HydrophobicContact CG2-SD 3.83Å; F132-M136 HydrophobicContact CD2-CE 4.21Å; F132-M136 HydrophobicContact CD2-CG 3.91Å; F132-M136 HydrophobicContact CD2-SD 4.26Å; F132-M136 HydrophobicContact CE1-CG 4.17Å; F132-M136 HydrophobicContact CE2-CE 4.14Å; F132-M136 HydrophobicContact CE2-CG 3.42Å; F132-M136 VanDerWaalsContact CE2-CG 3.42Å; F132-M136 HydrophobicContact CE2-SD 3.62Å; F132-M136 HydrophobicContact CG-CG 4.45Å; F132-M136 HydrophobicContact CZ-CG 3.58Å; F132-M136 HydrophobicContact CZ-SD 4.2Å; F132-M136 WeakPolarHBondContact O-CG 3.34Å; F132-M136 PolarHBondContact O-N 3.19Å; M136-N139 PolarHBondContact O-N 2.97Å; M136-Y140 HydrophobicContact CE-CD2 4.36Å; M136-Y140 HydrophobicContact CE-CE2 3.97Å; M136-Y140 WeakPolarHBondContact O-CB 3.42Å; M136-Y140 PolarHBondContact O-N 3.38Å; M136-Y140 HydrophobicContact SD-CD2 3.87Å; M136-Y140 HydrophobicContact SD-CE2 3.78Å; M136-V401 HydrophobicContact CB-CG1 4.27Å
137Q98.1Very high97.4Very high45 Ų4541.3 Ų41.321%0.2123%0.227CC..Hα-helixtrans-61.6-46.6175.7-173-179.49.700111.9L133 E134 G135 N139 S141 F220 V401L133-Q137 PolarHBondContact O-N 3.44Å; E134-Q137 PolarHBondContact O-N 3.23Å; G135-Q137 VanDerWaalsContact C-N 3.29Å; G135-Q137 PolarHBondContact O-N 3.08Å; Q137-N139 VanDerWaalsContact C-N 3.34Å; Q137-N139 PolarHBondContact O-N 3.4Å; Q137-S141 WeakPolarHBondContact CG-OG 3.49Å; Q137-S141 VanDerWaalsContact O-CB 3.25Å; Q137-S141 WeakPolarHBondContact O-CB 3.4Å; Q137-S141 PolarHBondContact O-N 3.04Å; Q137-S141 PolarHBondContact O-OG 2.64Å; Q137-F220 HydrophobicContact CB-CE1 4.48Å; Q137-F220 HydrophobicContact CB-CZ 4.2Å; Q137-F220 HydrophobicContact CG-CE1 4.17Å; Q137-F220 HydrophobicContact CG-CZ 4.37Å; Q137-V401 HydrophobicContact CB-CB 4.2Å; Q137-V401 HydrophobicContact CB-CG1 3.95Å; Q137-V401 HydrophobicContact CG-CB 4.39Å
138L97.6Very high97.4Very high58 Ų5843 Ų4330%0.30425%0.245SC..Hα-helixtrans-62.8-42.1-179.8-17465.7000112E134 G135 L216 K219 F220E134-L138 PolarHBondContact O-N 3.11Å; G135-L138 PolarHBondContact O-N 3.32Å; L138-L216 HydrophobicContact CB-CD1 4.47Å; L138-L216 HydrophobicContact CD2-CD1 3.54Å; L138-K219 HydrophobicContact CD2-CB 3.82Å; L138-K219 HydrophobicContact CD2-CD 3.91Å; L138-F220 HydrophobicContact CB-CE1 4.15Å; L138-F220 HydrophobicContact CB-CE2 4.1Å; L138-F220 HydrophobicContact CB-CZ 3.72Å; L138-F220 HydrophobicContact CD1-CD1 4.06Å; L138-F220 HydrophobicContact CD1-CD2 4.47Å; L138-F220 HydrophobicContact CD1-CE1 4.08Å; L138-F220 HydrophobicContact CD1-CE2 4.47Å; L138-F220 HydrophobicContact CD1-CG 4.28Å; L138-F220 HydrophobicContact CD1-CZ 4.31Å
139N98Very high97.6Very high92 Ų9241.9 Ų41.949%0.49223%0.233SC..Hα-helixtrans-88.7-32.7-169.1-65-11.1000113.6G135 M136 Q137G135-N139 WeakPolarHBondContact O-CB 3.17Å; G135-N139 VanDerWaalsContact O-CG 3.3Å; G135-N139 PolarHBondContact O-N 3.16Å; M136-N139 PolarHBondContact O-N 2.97Å; Q137-N139 VanDerWaalsContact C-N 3.34Å; Q137-N139 PolarHBondContact O-N 3.4Å
140Y98.6Very high97.7Very high22 Ų2242.4 Ų42.49%0.08624%0.235CC..Hα-helixtrans-118.4-9-167.7-62.7-84.4000115.1E110 V113 K114 M136 S142 Q143 A144E110-Y140 HydrophobicContact CG-CE2 3.93Å; E110-Y140 WeakPolarHBondContact CG-OH 3.28Å; E110-Y140 WeakPolarHBondContact OE1-CE2 2.91Å; E110-Y140 PolarHBondContact OE1-OH 3.08Å; V113-Y140 HydrophobicContact CG1-CD2 3.99Å; V113-Y140 HydrophobicContact CG1-CE2 4.47Å; V113-Y140 HydrophobicContact CG1-CG 4.04Å; K114-Y140 HydrophobicContact CB-CE1 3.85Å; K114-Y140 HydrophobicContact CG-CE1 4.04Å; M136-Y140 HydrophobicContact CE-CD2 4.36Å; M136-Y140 HydrophobicContact CE-CE2 3.97Å; M136-Y140 WeakPolarHBondContact O-CB 3.42Å; M136-Y140 PolarHBondContact O-N 3.38Å; M136-Y140 HydrophobicContact SD-CD2 3.87Å; M136-Y140 HydrophobicContact SD-CE2 3.78Å; Y140-S142 VanDerWaalsContact C-N 3.34Å; Y140-S142 PolarHBondContact O-N 3.1Å; Y140-Q143 PolarHBondContact O-N 3.29Å; Y140-A144 WeakPolarHBondContact O-CB 3.4Å; Y140-A144 PolarHBondContact O-N 3.24Å
141S97.9Very high97.9Very high32 Ų3241.3 Ų41.322%0.22423%0.228CC..Hα-helixtrans-55.2-46.2-176.5-670000113.2Q137 A145Q137-S141 WeakPolarHBondContact CG-OG 3.49Å; Q137-S141 VanDerWaalsContact O-CB 3.25Å; Q137-S141 WeakPolarHBondContact O-CB 3.4Å; Q137-S141 PolarHBondContact O-N 3.04Å; Q137-S141 PolarHBondContact O-OG 2.64Å; S141-A145 WeakPolarHBondContact O-CB 3.02Å; S141-A145 PolarHBondContact O-N 2.87Å
142S98.1Very high98.1Very high102 Ų10239 Ų3971%0.71322%0.217SC*.Hα-helixtrans-66.5-46.1-178.3-54.70000112.3Y140 A145 E146Y140-S142 VanDerWaalsContact C-N 3.34Å; Y140-S142 PolarHBondContact O-N 3.1Å; S142-A145 PolarHBondContact O-N 2.77Å; S142-E146 PolarHBondContact O-N 2.87Å
143Q98.6Very high98.1Very high61 Ų6138.9 Ų38.929%0.28522%0.218SC..Hα-helixtrans-67.4-39.2-179.6-167.5-173.125.600111.6V117 Y140 A145 E146 K147V117-Q143 HydrophobicContact CG1-CB 3.99Å; V117-Q143 HydrophobicContact CG1-CG 3.64Å; Y140-Q143 PolarHBondContact O-N 3.29Å; Q143-A145 VanDerWaalsContact C-N 3.34Å; Q143-E146 PolarHBondContact O-N 3.46Å; Q143-K147 PolarHBondContact O-N 3.01Å; Q143-K147 VanDerWaalsContact O-N 3.08Å
144A98.8Very high98.2Very high0 Ų038.7 Ų38.70%022%0.217CC..Hα-helixtrans-64-40.2174.800000111.2V117 Y140 K147 G148 V149 V151V117-A144 HydrophobicContact CG1-CB 4.42Å; V117-A144 HydrophobicContact CG2-CB 4.04Å; Y140-A144 WeakPolarHBondContact O-CB 3.4Å; Y140-A144 PolarHBondContact O-N 3.24Å; A144-K147 PolarHBondContact O-N 3.33Å; A144-G148 PolarHBondContact O-N 2.99Å; A144-V149 WeakPolarHBondContact CB-O 3.46Å; A144-V149 PolarHBondContact O-N 2.96Å; A144-V151 HydrophobicContact CB-CG2 4.46Å
145A98.5Very high98.2Very high35 Ų3538.1 Ų38.129%0.28921%0.214SC..Hα-helixtrans-63.3-45.1174.100000113S141 S142 Q143 K147 G148 G399S141-A145 WeakPolarHBondContact O-CB 3.02Å; S141-A145 PolarHBondContact O-N 2.87Å; S142-A145 PolarHBondContact O-N 2.77Å; Q143-A145 VanDerWaalsContact C-N 3.34Å; A145-K147 VanDerWaalsContact C-N 3.29Å; A145-K147 PolarHBondContact O-N 3.3Å; A145-G148 PolarHBondContact O-N 3.27Å; A145-G399 VanDerWaalsContact CA-C 3.44Å; A145-G399 WeakPolarHBondContact CA-O 3.41Å; A145-G399 WeakPolarHBondContact CB-O 3.29Å
146E98.4Very high98.2Very high172 Ų17237.8 Ų37.880%0.80421%0.211SC*.Hα-helixtrans-59.9-39.7177.3-175.1-179176.200112S142 Q143S142-E146 PolarHBondContact O-N 2.87Å; Q143-E146 PolarHBondContact O-N 3.46Å
147K97.6Very high98Very high96 Ų9638.6 Ų38.642%0.41721%0.214SC..THydrogen-bonded Turntrans-87.2-1.6-180-69.6-171.7167.1-174.40114.6V117 E118 Q143 A144 A145 V149V117-K147 HydrophobicContact CG1-CD 4.47Å; V117-K147 WeakPolarHBondContact O-CD 3.49Å; E118-K147 VanDerWaalsContact CA-NZ 3.35Å; E118-K147 PolarHBondContact O-NZ 3.5Å; Q143-K147 PolarHBondContact O-N 3.01Å; Q143-K147 VanDerWaalsContact O-N 3.08Å; A144-K147 PolarHBondContact O-N 3.33Å; A145-K147 VanDerWaalsContact C-N 3.29Å; A145-K147 PolarHBondContact O-N 3.3Å; K147-V149 HydrophobicContact CB-CG2 4Å; K147-V149 PolarHBondContact O-N 2.88Å
148G97.6Very high97.5Very high37 Ų3739.2 Ų39.238%0.38122%0.219SC..THydrogen-bonded Turntrans63.725.2-174.500000113.6H122 A144 A145H122-G148 PolarHBondContact CE1-O 3.4Å; A144-G148 PolarHBondContact O-N 2.99Å; A145-G148 PolarHBondContact O-N 3.27Å
149V98.5Very high97.4Very high1 Ų136.5 Ų36.51%0.00621%0.205CC..  trans-93.4129.6180172.10000110.2V117 A121 A144 K147 V151 G399 G400V117-V149 HydrophobicContact CG2-CG1 4.24Å; A121-V149 WeakPolarHBondContact O-CG1 3.48Å; A144-V149 WeakPolarHBondContact CB-O 3.46Å; A144-V149 PolarHBondContact O-N 2.96Å; K147-V149 HydrophobicContact CB-CG2 4Å; K147-V149 PolarHBondContact O-N 2.88Å; V149-V151 HydrophobicContact CG1-CG2 4.31Å; V149-G399 CarbonylContact O-C 3.59Å; V149-G399 VanDerWaalsContact O-CA 3.25Å; V149-G399 WeakPolarHBondContact O-CA 3.29Å; V149-G400 PolarHBondContact O-N 3.25Å
150F98.8Very high97.5Very high25 Ų2532.1 Ų32.111%0.1118%0.181CC..EExtended strand (participates in β ladder)trans-91.2129.8168.6-62.7-88.9000111.1H122 H123 I152 M388 L395 P396 K398 Y402H122-F150 CarbonylContact C-O 3.53Å; H122-F150 WeakPolarHBondContact CA-O 3.43Å; H122-F150 AromaticContact CE1-CD2 3.73Å; H122-F150 AromaticContact ND1-CD2 3.93Å; H122-F150 PolarHBondContact ND1-N 2.81Å; H123-F150 PolarHBondContact N-O 3.23Å; F150-I152 HydrophobicContact CB-CD1 4.47Å; F150-I152 HydrophobicContact CB-CG1 4.32Å; F150-M388 HydrophobicContact CB-SD 4.16Å; F150-L395 HydrophobicContact CD2-CD1 4.39Å; F150-L395 HydrophobicContact CE1-CB 4.08Å; F150-L395 HydrophobicContact CE2-CD1 4.28Å; F150-L395 HydrophobicContact CZ-CB 4.13Å; F150-L395 HydrophobicContact CZ-CD1 4.35Å; F150-P396 HydrophobicContact CE1-CB 4.29Å; F150-P396 WeakPolarHBondContact CE1-O 3.45Å; F150-P396 WeakPolarHBondContact CZ-O 3.36Å; F150-K398 WeakPolarHBondContact CE1-O 3.24Å; F150-Y402 AromaticContact CD1-CD2 3.95Å; F150-Y402 HydrophobicContact CD1-CD2 3.95Å; F150-Y402 AromaticContact CD1-CE2 3.72Å; F150-Y402 HydrophobicContact CD1-CE2 3.72Å; F150-Y402 HydrophobicContact CE1-CE2 4.02Å
151V98.9Very high97.5Very high3 Ų331.1 Ų31.12%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-117.1111.4169.61780000106.7V113 V117 H123 A144 V149 G400 V401 Y402V113-V151 HydrophobicContact CG1-CG1 4.07Å; V113-V151 HydrophobicContact CG1-CG2 4.26Å; V113-V151 HydrophobicContact CG2-CG1 4.3Å; V117-V151 HydrophobicContact CG2-CG2 3.79Å; H123-V151 HydrophobicContact CB-CB 4.43Å; H123-V151 HydrophobicContact CB-CG1 4.26Å; H123-V151 HydrophobicContact CB-CG2 4.21Å; H123-V151 CarbonylContact O-C 3.5Å; H123-V151 WeakPolarHBondContact O-CA 3.36Å; A144-V151 HydrophobicContact CB-CG2 4.46Å; V149-V151 HydrophobicContact CG1-CG2 4.31Å; V151-G400 PolarHBondContact N-O 3.42Å; V151-V401 HydrophobicContact CB-CB 4.37Å; V151-V401 HydrophobicContact CB-CG1 4.36Å; V151-V401 HydrophobicContact CB-CG2 3.93Å; V151-V401 HydrophobicContact CG1-CG1 4.13Å; V151-V401 HydrophobicContact CG1-CG2 4.24Å; V151-V401 HydrophobicContact CG2-CG2 4.33Å; V151-V401 CarbonylContact O-C 3.54Å; V151-V401 VanDerWaalsContact O-CA 3.28Å; V151-V401 WeakPolarHBondContact O-CA 3.42Å; V151-Y402 PolarHBondContact O-N 3.17Å
152I98.8Very high97.5Very high0 Ų029.6 Ų29.60%017%0.167CC..EExtended strand (participates in β ladder)trans-120.2104.4-174.5-43.8174.1000109.3H123 I124 D125 F150 C155 M388 Y402 A407 F408H123-I152 PolarHBondContact O-N 3.03Å; I124-I152 WeakPolarHBondContact CA-O 3.43Å; I124-I152 HydrophobicContact CG1-CB 4.38Å; D125-I152 PolarHBondContact N-O 2.82Å; F150-I152 HydrophobicContact CB-CD1 4.47Å; F150-I152 HydrophobicContact CB-CG1 4.32Å; I152-C155 WeakPolarHBondContact CG2-SG 3.27Å; I152-M388 HydrophobicContact CD1-CG 4.29Å; I152-M388 HydrophobicContact CD1-SD 3.67Å; I152-Y402 WeakPolarHBondContact CA-O 3.47Å; I152-A407 HydrophobicContact CD1-CB 3.69Å; I152-A407 HydrophobicContact CG1-CB 4.14Å; I152-A407 HydrophobicContact CG2-CB 3.97Å; I152-F408 HydrophobicContact CD1-CE1 4.26Å; I152-F408 HydrophobicContact CD1-CE2 3.88Å; I152-F408 HydrophobicContact CD1-CZ 3.5Å; I152-F408 HydrophobicContact CG2-CE2 3.93Å
153G97.9Very high97.5Very high5 Ų524.7 Ų24.75%0.05213%0.133CC..  trans-83.8161.6-17900000113D125 C155 Y402 P404D125-G153 VanDerWaalsContact OD1-CA 3.28Å; D125-G153 WeakPolarHBondContact OD1-CA 3.34Å; G153-C155 VanDerWaalsContact C-N 3.31Å; G153-C155 PolarHBondContact O-N 3.42Å; G153-Y402 PolarHBondContact N-O 3.4Å; G153-Y402 VanDerWaalsContact N-O 3.17Å; G153-P404 VanDerWaalsContact O-CD 3.29Å; G153-P404 WeakPolarHBondContact O-CD 3.29Å; G153-P404 WeakPolarHBondContact O-CG 3.48Å
154S97.8Very high97.5Very high0 Ų021.9 Ų21.90%012%0.119CC..  trans60.333.3173.4-470000115D125 S127 L133 G156 P404D125-S154 PolarHBondContact O-N 3.49Å; D125-S154 PolarHBondContact OD1-N 3.25Å; S127-S154 WeakPolarHBondContact O-CA 3.27Å; S127-S154 WeakPolarHBondContact O-CB 3.42Å; S127-S154 PolarHBondContact O-OG 3.13Å; L133-S154 WeakPolarHBondContact CD1-OG 3.39Å; L133-S154 VanDerWaalsContact CD2-OG 3.25Å; L133-S154 WeakPolarHBondContact CD2-OG 3.38Å; S154-G156 PolarHBondContact O-N 3.1Å; S154-P404 WeakPolarHBondContact O-CG 3.43Å
155C98.4Very high97.5Very high0 Ų021.9 Ų21.90%012%0.119CC..  trans-79.837.1175.1-64.90000112.9I124 D125 I152 G153 I160 A380 M381 A384I124-C155 HydrophobicContact CG2-CB 3.45Å; I124-C155 VanDerWaalsContact CG2-CB 3.45Å; D125-C155 WeakPolarHBondContact O-CA 3.49Å; D125-C155 WeakPolarHBondContact O-CB 3.45Å; D125-C155 PolarHBondContact O-N 2.87Å; I152-C155 WeakPolarHBondContact CG2-SG 3.27Å; G153-C155 VanDerWaalsContact C-N 3.31Å; G153-C155 PolarHBondContact O-N 3.42Å; C155-I160 HydrophobicContact CB-CD1 3.91Å; C155-A380 CarbonylContact O-C 3.57Å; C155-M381 WeakPolarHBondContact O-CA 3.29Å; C155-M381 WeakPolarHBondContact O-CB 3.5Å; C155-M381 PolarHBondContact O-N 3.14Å; C155-A384 HydrophobicContact CB-CB 4.11Å
156G97.2Very high97.5Very high0 Ų020.2 Ų20.20%011%0.106CC..SBendtrans-120.7-166.9172.800000111.1S154 D158 S159 I160S154-G156 PolarHBondContact O-N 3.1Å; G156-D158 PolarHBondContact O-N 3.05Å; G156-S159 PolarHBondContact O-N 3.28Å; G156-I160 WeakPolarHBondContact O-CB 3.46Å; G156-I160 PolarHBondContact O-N 3.02Å
157F95.2Very high97.6Very high24 Ų2412 Ų1211%0.1057%0.068CC..THydrogen-bonded Turntrans-58.8-28.9169.3176.7-93.6000112.2S159 P161 L184 F339 F341 A372 A376 T377F157-S159 PolarHBondContact O-N 2.77Å; F157-P161 HydrophobicContact CD2-CG 3.74Å; F157-P161 HydrophobicContact CE2-CG 4.1Å; F157-P161 HydrophobicContact CG-CG 4.48Å; F157-P161 WeakPolarHBondContact O-CD 2.97Å; F157-L184 HydrophobicContact CE1-CD2 4.22Å; F157-L184 HydrophobicContact CZ-CD1 3.78Å; F157-L184 HydrophobicContact CZ-CD2 4.08Å; F157-F339 AromaticContact CD2-CD1 3.8Å; F157-F339 HydrophobicContact CD2-CD1 3.8Å; F157-F339 HydrophobicContact CD2-CD2 4.49Å; F157-F339 AromaticContact CD2-CE1 3.85Å; F157-F339 HydrophobicContact CD2-CE1 3.85Å; F157-F339 HydrophobicContact CD2-CG 4.16Å; F157-F339 HydrophobicContact CD2-CZ 4.2Å; F157-F339 HydrophobicContact CE2-CB 3.87Å; F157-F339 AromaticContact CE2-CD1 3.45Å; F157-F339 HydrophobicContact CE2-CD1 3.45Å; F157-F339 VanDerWaalsContact CE2-CD1 3.45Å; F157-F339 AromaticContact CE2-CD2 3.56Å; F157-F339 HydrophobicContact CE2-CD2 3.56Å; F157-F339 AromaticContact CE2-CE1 3.82Å; F157-F339 HydrophobicContact CE2-CE1 3.82Å; F157-F339 AromaticContact CE2-CE2 3.9Å; F157-F339 HydrophobicContact CE2-CE2 3.9Å; F157-F339 AromaticContact CE2-CG 3.33Å; F157-F339 HydrophobicContact CE2-CG 3.33Å; F157-F339 HydrophobicContact CE2-CZ 4.02Å; F157-F339 HydrophobicContact CZ-CB 4.11Å; F157-F339 HydrophobicContact CZ-CD1 4.45Å; F157-F339 HydrophobicContact CZ-CD2 4.34Å; F157-F339 HydrophobicContact CZ-CG 4.07Å; F157-F341 HydrophobicContact CE2-CD2 4.29Å; F157-F341 AromaticContact CE2-CE2 3.98Å; F157-F341 HydrophobicContact CE2-CE2 3.98Å; F157-F341 HydrophobicContact CZ-CD2 4.34Å; F157-F341 AromaticContact CZ-CE2 3.71Å; F157-F341 HydrophobicContact CZ-CE2 3.71Å; F157-A372 HydrophobicContact CB-CB 4.38Å; F157-A372 WeakPolarHBondContact CB-O 3.21Å; F157-A372 HydrophobicContact CD1-CB 3.56Å; F157-A372 HydrophobicContact CD2-CB 3.71Å; F157-A372 HydrophobicContact CE1-CB 3.64Å; F157-A372 HydrophobicContact CE2-CB 3.83Å; F157-A372 HydrophobicContact CG-CB 3.58Å; F157-A372 HydrophobicContact CZ-CB 3.77Å; F157-A376 HydrophobicContact CD2-CB 4.5Å; F157-T377 WeakPolarHBondContact CB-OG1 3.37Å; F157-T377 PolarHBondContact N-OG1 2.94Å
158D86.1Confident97.6Very high59 Ų598.9 Ų8.932%0.3165%0.053SC..THydrogen-bonded Turntrans-51.9-23.8179.6-80.9-37000114.8G128 G156 S254G128-D158 PolarHBondContact N-OD2 3.26Å; G156-D158 PolarHBondContact O-N 3.05Å; D158-S254 PolarHBondContact O-OG 3.07Å; D158-S254 VanDerWaalsContact O-OG 3.06Å
159S97.1Very high97.7Very high0 Ų07.1 Ų7.10%04%0.035CC..THydrogen-bonded Turntrans-156.5-15.3169.8-69.80000117G156 F157 A162 D163 S254 V258G156-S159 PolarHBondContact O-N 3.28Å; F157-S159 PolarHBondContact O-N 2.77Å; S159-A162 PolarHBondContact O-N 3.42Å; S159-D163 WeakPolarHBondContact O-CB 3.33Å; S159-D163 PolarHBondContact O-N 2.8Å; S159-S254 PolarHBondContact OG-OG 2.81Å; S159-V258 WeakPolarHBondContact OG-CB 3.13Å; S159-V258 VanDerWaalsContact OG-CG2 3.31Å; S159-V258 WeakPolarHBondContact OG-CG2 3.25Å
160I98.6Very high97.6Very high0 Ų09.8 Ų9.80%05%0.045CC..Hα-helixtrans-56.5-49.6179.4-85.8176.3000112.2C155 G156 A162 D163 M164 A380 A384 P404 L413 L417C155-I160 HydrophobicContact CB-CD1 3.91Å; G156-I160 WeakPolarHBondContact O-CB 3.46Å; G156-I160 PolarHBondContact O-N 3.02Å; I160-A162 VanDerWaalsContact C-N 3.31Å; I160-A162 PolarHBondContact O-N 3.37Å; I160-D163 PolarHBondContact O-N 2.99Å; I160-M164 HydrophobicContact CG2-CG 4.26Å; I160-M164 VanDerWaalsContact O-CB 3.23Å; I160-M164 WeakPolarHBondContact O-CB 3.42Å; I160-M164 PolarHBondContact O-N 2.8Å; I160-A380 HydrophobicContact CB-CB 4.22Å; I160-A380 HydrophobicContact CD1-CB 3.81Å; I160-A380 HydrophobicContact CG2-CB 4.14Å; I160-A384 HydrophobicContact CD1-CB 4.18Å; I160-P404 HydrophobicContact CG1-CB 3.73Å; I160-P404 HydrophobicContact CG1-CG 3.94Å; I160-L413 HydrophobicContact CD1-CD2 4.44Å; I160-L417 HydrophobicContact CG2-CD1 3.64Å
161P98.2Very high97.6Very high1 Ų112.6 Ų12.61%0.0066%0.061CC..Hα-helixtrans-59.1-41.4178.8-26.135.8000112.9F157 G165 F339 F341 F343 I367F157-P161 HydrophobicContact CD2-CG 3.74Å; F157-P161 HydrophobicContact CE2-CG 4.1Å; F157-P161 HydrophobicContact CG-CG 4.48Å; F157-P161 WeakPolarHBondContact O-CD 2.97Å; P161-G165 VanDerWaalsContact O-CA 3.27Å; P161-G165 WeakPolarHBondContact O-CA 3.48Å; P161-G165 PolarHBondContact O-N 3.33Å; P161-F339 HydrophobicContact CB-CE2 4.24Å; P161-F339 HydrophobicContact CB-CZ 4.46Å; P161-F339 HydrophobicContact CG-CE2 4.42Å; P161-F339 HydrophobicContact CG-CZ 4.2Å; P161-F341 HydrophobicContact CB-CD2 3.85Å; P161-F341 HydrophobicContact CB-CE2 4.05Å; P161-F343 WeakPolarHBondContact O-CZ 3.35Å; P161-I367 HydrophobicContact CB-CG2 4.18Å
162A98.4Very high97.6Very high0 Ų016.8 Ų16.80%08%0.081CC..Hα-helixtrans-68.5-51.9178.900000112.4S159 I160 G165 V166 D255 F341S159-A162 PolarHBondContact O-N 3.42Å; I160-A162 VanDerWaalsContact C-N 3.31Å; I160-A162 PolarHBondContact O-N 3.37Å; A162-G165 PolarHBondContact O-N 2.89Å; A162-V166 WeakPolarHBondContact O-CG2 3.47Å; A162-V166 PolarHBondContact O-N 3.14Å; A162-V166 VanDerWaalsContact O-N 3.14Å; A162-D255 HydrophobicContact CB-CB 3.7Å; A162-D255 VanDerWaalsContact CB-OD2 3.25Å; A162-D255 WeakPolarHBondContact CB-OD2 3.26Å; A162-F341 HydrophobicContact CB-CE1 4.36Å; A162-F341 HydrophobicContact CB-CZ 4.27Å
163D98.8Very high97.5Very high0 Ų017.6 Ų17.60%08%0.084CC..Hα-helixtrans-74.4-51.3-171.6-162.324.9000111.8S159 I160 G165 V166 I167 V258 V259 T262 P404 G405S159-D163 WeakPolarHBondContact O-CB 3.33Å; S159-D163 PolarHBondContact O-N 2.8Å; I160-D163 PolarHBondContact O-N 2.99Å; D163-G165 PolarHBondContact O-N 3.28Å; D163-V166 PolarHBondContact O-N 3.01Å; D163-I167 WeakPolarHBondContact O-CG1 3.5Å; D163-I167 PolarHBondContact O-N 3.27Å; D163-V258 HydrophobicContact CB-CG1 4.2Å; D163-V258 WeakPolarHBondContact OD2-CG1 3.48Å; D163-V259 HydrophobicContact CB-CG2 4.19Å; D163-V259 WeakPolarHBondContact OD1-CA 3.42Å; D163-T262 WeakPolarHBondContact OD1-CB 3.04Å; D163-T262 WeakPolarHBondContact OD1-CG2 3.26Å; D163-T262 PolarHBondContact OD1-OG1 3.21Å; D163-T262 PolarHBondContact OD2-OG1 2.94Å; D163-P404 WeakPolarHBondContact OD2-CD 3.04Å; D163-G405 WeakPolarHBondContact OD2-CA 3.38Å; D163-G405 PolarHBondContact OD2-N 2.91Å
164M98.8Very high97.4Very high1 Ų125.7 Ų25.71%0.00512%0.118CC..Hα-helixtrans-67.4-25.1172.9-60.2-57.4-63.800111.8I160 I167 Y168 F408 L413 I414 F424I160-M164 HydrophobicContact CG2-CG 4.26Å; I160-M164 VanDerWaalsContact O-CB 3.23Å; I160-M164 WeakPolarHBondContact O-CB 3.42Å; I160-M164 PolarHBondContact O-N 2.8Å; M164-I167 PolarHBondContact O-N 3.38Å; M164-Y168 VanDerWaalsContact O-CB 3.31Å; M164-Y168 WeakPolarHBondContact O-CB 3.23Å; M164-Y168 PolarHBondContact O-N 2.98Å; M164-F408 HydrophobicContact CE-CB 4.1Å; M164-F408 HydrophobicContact SD-CB 4.13Å; M164-L413 HydrophobicContact CE-CD2 4.44Å; M164-L413 HydrophobicContact CG-CD2 4.33Å; M164-L413 HydrophobicContact SD-CD2 4.42Å; M164-I414 HydrophobicContact CB-CG1 4.32Å; M164-I414 HydrophobicContact CE-CD1 3.87Å; M164-I414 HydrophobicContact CE-CG1 3.85Å; M164-F424 HydrophobicContact CB-CE1 4.08Å; M164-F424 HydrophobicContact CB-CZ 4.11Å
165G98.7Very high97.3Very high0 Ų026.8 Ų26.80%013%0.129CC..Hα-helixtrans-65.5-38.4173.600000112.9P161 A162 D163 T169P161-G165 VanDerWaalsContact O-CA 3.27Å; P161-G165 WeakPolarHBondContact O-CA 3.48Å; P161-G165 PolarHBondContact O-N 3.33Å; A162-G165 PolarHBondContact O-N 2.89Å; D163-G165 PolarHBondContact O-N 3.28Å; G165-T169 VanDerWaalsContact O-CB 3.32Å; G165-T169 WeakPolarHBondContact O-CB 3.37Å; G165-T169 PolarHBondContact O-N 2.86Å; G165-T169 PolarHBondContact O-OG1 3.3Å
166V98.8Very high97.1Very high0 Ų028.8 Ų28.80%014%0.142CC..Hα-helixtrans-66.6-41.9171.81750000111.1A162 D163 T169 R170 V180 V259 V275 Y277 F343A162-V166 WeakPolarHBondContact O-CG2 3.47Å; A162-V166 PolarHBondContact O-N 3.14Å; A162-V166 VanDerWaalsContact O-N 3.14Å; D163-V166 PolarHBondContact O-N 3.01Å; V166-T169 PolarHBondContact O-N 2.74Å; V166-R170 WeakPolarHBondContact O-CB 3.46Å; V166-R170 PolarHBondContact O-N 3.45Å; V166-V180 HydrophobicContact CG2-CG1 4.32Å; V166-V259 HydrophobicContact CG1-CG1 4.48Å; V166-V259 HydrophobicContact CG2-CG1 4.09Å; V166-V259 HydrophobicContact CG2-CG2 4.4Å; V166-V275 HydrophobicContact CG1-CB 4.16Å; V166-V275 HydrophobicContact CG1-CG1 4.13Å; V166-Y277 HydrophobicContact CG2-CD2 3.67Å; V166-Y277 HydrophobicContact CG2-CE2 3.7Å; V166-Y277 HydrophobicContact CG2-CG 4.4Å; V166-F343 HydrophobicContact CG2-CD1 4.38Å; V166-F343 HydrophobicContact CG2-CE1 3.98Å
167I98.7Very high97.1Very high1 Ų129.1 Ų29.11%0.00514%0.143CC..Hα-helixtrans-59-52.7175-62-57.1000110.8D163 M164 T169 R170 D171 T262 L266 A409D163-I167 WeakPolarHBondContact O-CG1 3.5Å; D163-I167 PolarHBondContact O-N 3.27Å; M164-I167 PolarHBondContact O-N 3.38Å; I167-T169 VanDerWaalsContact C-N 3.33Å; I167-T169 PolarHBondContact O-N 3Å; I167-R170 WeakPolarHBondContact O-CB 3.29Å; I167-R170 PolarHBondContact O-N 3.21Å; I167-D171 WeakPolarHBondContact CG2-OD2 3.3Å; I167-D171 PolarHBondContact O-N 3.07Å; I167-T262 HydrophobicContact CD1-CG2 3.93Å; I167-L266 HydrophobicContact CD1-CD1 3.6Å; I167-A409 HydrophobicContact CD1-CB 4.09Å; I167-A409 HydrophobicContact CG1-CB 4.35Å; I167-A409 HydrophobicContact CG2-CB 4.08Å
168Y98.8Very high97.2Very high30 Ų3028 Ų2812%0.11814%0.138CC..Hα-helixtrans-56.6-47.2177.8-179.2-101.9000111.6M164 R170 D171 Q172 T365 I414 F424 S425 V426M164-Y168 VanDerWaalsContact O-CB 3.31Å; M164-Y168 WeakPolarHBondContact O-CB 3.23Å; M164-Y168 PolarHBondContact O-N 2.98Å; Y168-R170 VanDerWaalsContact C-N 3.32Å; Y168-R170 PolarHBondContact O-N 3.22Å; Y168-D171 PolarHBondContact O-N 3.16Å; Y168-Q172 HydrophobicContact CD1-CG 4.22Å; Y168-Q172 HydrophobicContact CD2-CG 4.22Å; Y168-Q172 HydrophobicContact CE1-CG 3.83Å; Y168-Q172 HydrophobicContact CE2-CG 3.85Å; Y168-Q172 HydrophobicContact CG-CG 4.4Å; Y168-Q172 VanDerWaalsContact O-CG 3.28Å; Y168-Q172 WeakPolarHBondContact O-CG 3.38Å; Y168-Q172 PolarHBondContact O-N 3.47Å; Y168-T365 HydrophobicContact CD1-CG2 4.03Å; Y168-T365 HydrophobicContact CE1-CG2 3.95Å; Y168-I414 HydrophobicContact CD2-CD1 4.23Å; Y168-I414 HydrophobicContact CD2-CG2 4.11Å; Y168-F424 HydrophobicContact CD1-CB 4.16Å; Y168-F424 HydrophobicContact CD1-CD1 4.19Å; Y168-F424 HydrophobicContact CD2-CB 4.06Å; Y168-F424 HydrophobicContact CD2-CD1 4.33Å; Y168-F424 HydrophobicContact CE1-CB 4.1Å; Y168-F424 HydrophobicContact CE2-CB 3.99Å; Y168-F424 HydrophobicContact CG-CB 4.13Å; Y168-F424 AromaticContact CG-CD1 3.85Å; Y168-F424 HydrophobicContact CG-CD1 3.85Å; Y168-F424 HydrophobicContact CG-CG 4.44Å; Y168-S425 WeakPolarHBondContact OH-CA 3.44Å; Y168-V426 HydrophobicContact CE1-CG2 4.32Å
169T98.8Very high97.7Very high0 Ų025.5 Ų25.50%013%0.126CC..Hα-helixtrans-61-40.8179.5-560000112G165 V166 I167 F173 L177 V180 I363 T365G165-T169 VanDerWaalsContact O-CB 3.32Å; G165-T169 WeakPolarHBondContact O-CB 3.37Å; G165-T169 PolarHBondContact O-N 2.86Å; G165-T169 PolarHBondContact O-OG1 3.3Å; V166-T169 PolarHBondContact O-N 2.74Å; I167-T169 VanDerWaalsContact C-N 3.33Å; I167-T169 PolarHBondContact O-N 3Å; T169-F173 WeakPolarHBondContact O-CB 3.31Å; T169-F173 PolarHBondContact O-N 3.47Å; T169-L177 HydrophobicContact CG2-CD2 3.86Å; T169-V180 HydrophobicContact CG2-CG2 4.2Å; T169-I363 HydrophobicContact CG2-CG2 3.53Å; T169-T365 HydrophobicContact CG2-CG2 4.1Å; T169-T365 PolarHBondContact OG1-OG1 3.45Å
170R98.1Very high97.8Very high57 Ų5725.5 Ų25.522%0.21513%0.126CC..Hα-helixtrans-62.2-48.1174.2-179-160.266-152.5-3.3111V166 I167 Y168 Q172 F173 L177 L266V166-R170 WeakPolarHBondContact O-CB 3.46Å; V166-R170 PolarHBondContact O-N 3.45Å; I167-R170 WeakPolarHBondContact O-CB 3.29Å; I167-R170 PolarHBondContact O-N 3.21Å; Y168-R170 VanDerWaalsContact C-N 3.32Å; Y168-R170 PolarHBondContact O-N 3.22Å; R170-Q172 VanDerWaalsContact C-N 3.26Å; R170-Q172 PolarHBondContact O-N 3.11Å; R170-F173 WeakPolarHBondContact O-CB 3.35Å; R170-F173 PolarHBondContact O-N 3.25Å; R170-F173 VanDerWaalsContact O-N 3.09Å; R170-L177 VanDerWaalsContact CA-CD2 3.44Å; R170-L177 HydrophobicContact CB-CD2 3.89Å; R170-L266 VanDerWaalsContact NH1-CD1 3.29Å
171D97.6Very high97.8Very high83 Ų8326.7 Ų26.744%0.44413%0.132SC..Hα-helixtrans-70.2-24.9-173.9-63.2-14.7000112.5I167 Y168I167-D171 WeakPolarHBondContact CG2-OD2 3.3Å; I167-D171 PolarHBondContact O-N 3.07Å; Y168-D171 PolarHBondContact O-N 3.16Å
172Q98.2Very high97.8Very high91 Ų9126.7 Ų26.743%0.42513%0.131SC..Hα-helixtrans-86.2-11.4173-62-56.5-55.800113.7Y168 R170 I363 V426Y168-Q172 HydrophobicContact CD1-CG 4.22Å; Y168-Q172 HydrophobicContact CD2-CG 4.22Å; Y168-Q172 HydrophobicContact CE1-CG 3.83Å; Y168-Q172 HydrophobicContact CE2-CG 3.85Å; Y168-Q172 HydrophobicContact CG-CG 4.4Å; Y168-Q172 VanDerWaalsContact O-CG 3.28Å; Y168-Q172 WeakPolarHBondContact O-CG 3.38Å; Y168-Q172 PolarHBondContact O-N 3.47Å; R170-Q172 VanDerWaalsContact C-N 3.26Å; R170-Q172 PolarHBondContact O-N 3.11Å; Q172-I363 HydrophobicContact CB-CD1 3.67Å; Q172-V426 HydrophobicContact CB-CG2 3.76Å; Q172-V426 HydrophobicContact CG-CG2 3.69Å
173F97.8Very high97.8Very high18 Ų1826.7 Ų26.78%0.07913%0.131CC..  trans-79.8127.2-176.8-169.3-96.7000111.4T169 R170 G175 L177 A361 I363T169-F173 WeakPolarHBondContact O-CB 3.31Å; T169-F173 PolarHBondContact O-N 3.47Å; R170-F173 WeakPolarHBondContact O-CB 3.35Å; R170-F173 PolarHBondContact O-N 3.25Å; R170-F173 VanDerWaalsContact O-N 3.09Å; F173-G175 PolarHBondContact O-N 3.11Å; F173-L177 HydrophobicContact CB-CB 4.05Å; F173-L177 HydrophobicContact CD1-CB 3.94Å; F173-L177 HydrophobicContact CD2-CD1 3.88Å; F173-L177 HydrophobicContact CE2-CD1 4.14Å; F173-L177 HydrophobicContact CG-CB 3.93Å; F173-L177 HydrophobicContact CG-CD1 4.13Å; F173-A361 HydrophobicContact CE1-CB 4.4Å; F173-A361 HydrophobicContact CE2-CB 4.1Å; F173-A361 HydrophobicContact CZ-CB 3.54Å; F173-I363 HydrophobicContact CD2-CB 3.8Å; F173-I363 HydrophobicContact CD2-CG2 3.52Å; F173-I363 HydrophobicContact CE2-CB 4.36Å; F173-I363 HydrophobicContact CE2-CG2 4.19Å
174K95.8Very high97.7Very high175 Ų17527.4 Ų27.476%0.76114%0.135SC*.SBendtrans-82.395.1174.4-62-175-177.6-178.70110
175G94.6Very high97.6Very high23 Ų2328.1 Ų28.124%0.23714%0.14CC..SBendtrans124.9-151.2-174.800000113F173 Y348 D350F173-G175 PolarHBondContact O-N 3.11Å; G175-Y348 CarbonylContact C-O 3.58Å; G175-Y348 VanDerWaalsContact CA-O 3.27Å; G175-Y348 WeakPolarHBondContact CA-O 3.47Å; G175-D350 WeakPolarHBondContact CA-OD1 3.45Å; G175-D350 PolarHBondContact N-OD1 3.4Å
176T95.6Very high97.4Very high42 Ų4231.9 Ų31.926%0.25816%0.162SC..EExtended strand (participates in β ladder)trans-102.6107.4177.1-57.60000110.5T178 T273 G347 Y348 P354T176-T178 HydrophobicContact CG2-CG2 3.99Å; T176-T273 HydrophobicContact CG2-CG2 3.71Å; T176-G347 CarbonylContact O-C 3.57Å; T176-G347 WeakPolarHBondContact O-CA 3.27Å; T176-Y348 PolarHBondContact N-O 2.79Å; T176-Y348 PolarHBondContact O-N 2.82Å; T176-P354 HydrophobicContact CG2-CG 4.03Å
177L97.1Very high97.2Very high6 Ų635.1 Ų35.13%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-72.4129.8170-174.568000109.6T169 R170 F173 V180 V275 I363T169-L177 HydrophobicContact CG2-CD2 3.86Å; R170-L177 VanDerWaalsContact CA-CD2 3.44Å; R170-L177 HydrophobicContact CB-CD2 3.89Å; F173-L177 HydrophobicContact CB-CB 4.05Å; F173-L177 HydrophobicContact CD1-CB 3.94Å; F173-L177 HydrophobicContact CD2-CD1 3.88Å; F173-L177 HydrophobicContact CE2-CD1 4.14Å; F173-L177 HydrophobicContact CG-CB 3.93Å; F173-L177 HydrophobicContact CG-CD1 4.13Å; L177-V180 HydrophobicContact CD1-CG2 4.13Å; L177-V180 HydrophobicContact CD2-CG2 3.59Å; L177-V180 HydrophobicContact CG-CG2 4.06Å; L177-V275 HydrophobicContact CD2-CG1 4.32Å; L177-V275 HydrophobicContact CD2-CG2 4.23Å; L177-V275 HydrophobicContact CG-CG1 4.33Å; L177-V275 HydrophobicContact CG-CG2 4.29Å; L177-I363 HydrophobicContact CD1-CG2 4.34Å
178T96.7Very high97Very high0 Ų039.9 Ų39.90%021%0.208CC..EExtended strand (participates in β ladder)trans-124.2-21.8-175.358.20000114T176 V228 Q276 E346 Y348 P354T176-T178 HydrophobicContact CG2-CG2 3.99Å; T178-V228 WeakPolarHBondContact CB-O 3.4Å; T178-V228 HydrophobicContact CG2-CG1 4.08Å; T178-Q276 WeakPolarHBondContact O-CB 3.39Å; T178-Q276 WeakPolarHBondContact O-CG 3.17Å; T178-Q276 PolarHBondContact O-N 3.18Å; T178-Q276 PolarHBondContact O-NE2 3.35Å; T178-E346 PolarHBondContact N-O 2.71Å; T178-E346 PolarHBondContact OG1-O 3.34Å; T178-Y348 HydrophobicContact CG2-CD2 3.85Å; T178-Y348 HydrophobicContact CG2-CE2 3.91Å; T178-P354 HydrophobicContact CG2-CB 4.3Å
179A97.4Very high96.7Very high7 Ų739.4 Ų39.46%0.05821%0.213CC..EExtended strand (participates in β ladder)trans-146144.6178.200000111.3L232 Q276 G345 E346A179-L232 HydrophobicContact CB-CB 4.22Å; A179-L232 HydrophobicContact CB-CD1 4.21Å; A179-Q276 CarbonylContact C-O 3.59Å; A179-Q276 WeakPolarHBondContact CA-O 3.34Å; A179-Q276 HydrophobicContact CB-CB 4.25Å; A179-G345 CarbonylContact O-C 3.11Å; A179-G345 WeakPolarHBondContact O-CA 3.31Å; A179-E346 PolarHBondContact N-O 3.06Å; A179-E346 VanDerWaalsContact N-O 3.07Å; A179-E346 PolarHBondContact O-N 3.13Å
180V98.3Very high96.4Very high0 Ų045.8 Ų45.80%025%0.254CS..EExtended strand (participates in β ladder)trans-139.7130.3176.51720000109.6V166 T169 L177 V275 Q276 Y277 G278 F343 Y344V166-V180 HydrophobicContact CG2-CG1 4.32Å; T169-V180 HydrophobicContact CG2-CG2 4.2Å; L177-V180 HydrophobicContact CD1-CG2 4.13Å; L177-V180 HydrophobicContact CD2-CG2 3.59Å; L177-V180 HydrophobicContact CG-CG2 4.06Å; V180-V275 HydrophobicContact CB-CG1 3.98Å; V180-V275 HydrophobicContact CG2-CG1 3.56Å; V180-Q276 PolarHBondContact N-O 3.03Å; V180-Y277 HydrophobicContact CB-CD2 4.45Å; V180-Y277 HydrophobicContact CG1-CD2 4.25Å; V180-Y277 HydrophobicContact CG1-CE2 4.45Å; V180-Y277 CarbonylContact O-C 3.36Å; V180-Y277 WeakPolarHBondContact O-CA 3.46Å; V180-G278 PolarHBondContact O-N 2.84Å; V180-F343 HydrophobicContact CG1-CB 4.18Å; V180-F343 HydrophobicContact CG1-CD1 3.62Å; V180-F343 HydrophobicContact CG1-CG 4.39Å; V180-Y344 WeakPolarHBondContact CA-O 3.38Å
181E98.1Very high96.1Very high26 Ų2647.3 Ų47.312%0.12126%0.264CS..EExtended strand (participates in β ladder)trans-105.1133.1162.6-63.3-171.4111.100109.8F183 L232 R235 G278 Y280 F343 Y344E181-F183 HydrophobicContact CB-CE2 3.97Å; E181-L232 HydrophobicContact CG-CD1 3.77Å; E181-L232 HydrophobicContact CG-CD2 4.46Å; E181-R235 WeakPolarHBondContact OE1-CD 3.25Å; E181-R235 WeakPolarHBondContact OE1-CG 3.38Å; E181-R235 IonicContact OE1-CZ 3.87Å; E181-R235 IonicContact OE1-NE 2.9Å; E181-R235 PolarHBondContact OE1-NE 3.37Å; E181-R235 IonicContact OE1-NH2 3.96Å; E181-R235 IonicContact OE2-CZ 3.39Å; E181-R235 IonicContact OE2-NE 3.18Å; E181-R235 PolarHBondContact OE2-NE 3.46Å; E181-R235 IonicContact OE2-NH2 2.75Å; E181-R235 PolarHBondContact OE2-NH2 2.9Å; E181-G278 CarbonylContact C-O 3.58Å; E181-G278 VanDerWaalsContact CA-O 3.25Å; E181-G278 WeakPolarHBondContact CA-O 3.48Å; E181-Y280 HydrophobicContact CB-CD2 4.49Å; E181-Y280 HydrophobicContact CB-CE2 4.31Å; E181-Y280 HydrophobicContact CG-CE2 4.16Å; E181-Y280 VanDerWaalsContact OE1-CE2 3.27Å; E181-Y280 WeakPolarHBondContact OE1-CE2 3.3Å; E181-F343 CarbonylContact O-C 3.59Å; E181-F343 WeakPolarHBondContact O-CA 3.3Å; E181-Y344 PolarHBondContact N-O 3.19Å; E181-Y344 PolarHBondContact O-N 2.6Å
182S98.1Very high95.8Very high0 Ų044.7 Ų44.70%026%0.257CS..EExtended strand (participates in β ladder)trans-112.2146.2172.770.10000111.5Y277 G278 Y280 S342S182-Y277 WeakPolarHBondContact OG-CE2 3.21Å; S182-Y277 VanDerWaalsContact OG-CZ 3.29Å; S182-Y277 PolarHBondContact OG-OH 3.14Å; S182-G278 PolarHBondContact N-O 3.06Å; S182-Y280 WeakPolarHBondContact O-CB 3.4Å; S182-Y280 PolarHBondContact O-N 3.29Å; S182-S342 CarbonylContact C-O 3.31Å; S182-S342 WeakPolarHBondContact CA-O 3.46Å
183F98.1Very high95.5Very high0 Ų041.3 Ų41.30%025%0.246CC..EExtended strand (participates in β ladder)trans-129113176.7-64.9-93.8000109.6E181 F239 S241 E243 I244 A248 Y280 F341 S342 Y344E181-F183 HydrophobicContact CB-CE2 3.97Å; F183-F239 AromaticContact CE1-CE2 3.94Å; F183-F239 HydrophobicContact CE1-CE2 3.94Å; F183-F239 AromaticContact CE1-CZ 3.94Å; F183-F239 HydrophobicContact CE1-CZ 3.94Å; F183-S241 VanDerWaalsContact CE1-OG 3.24Å; F183-S241 WeakPolarHBondContact CE1-OG 3.32Å; F183-E243 HydrophobicContact CE2-CB 4.42Å; F183-I244 HydrophobicContact CB-CD1 4.28Å; F183-I244 HydrophobicContact CB-CG2 3.66Å; F183-I244 HydrophobicContact CD1-CD1 3.99Å; F183-I244 HydrophobicContact CD1-CG1 4.29Å; F183-I244 HydrophobicContact CD1-CG2 4.45Å; F183-I244 HydrophobicContact CG-CG2 4.05Å; F183-A248 HydrophobicContact CD1-CB 4.41Å; F183-A248 HydrophobicContact CE1-CB 4.42Å; F183-Y280 CarbonylContact C-O 3.38Å; F183-Y280 WeakPolarHBondContact CA-O 3.37Å; F183-Y280 HydrophobicContact CD1-CG 4.45Å; F183-Y280 HydrophobicContact CE1-CD2 4.02Å; F183-Y280 HydrophobicContact CE1-CG 4.06Å; F183-Y280 HydrophobicContact CE2-CD2 4.5Å; F183-Y280 AromaticContact CZ-CD2 3.98Å; F183-Y280 HydrophobicContact CZ-CD2 3.98Å; F183-Y280 HydrophobicContact CZ-CG 4.47Å; F183-F341 WeakPolarHBondContact O-CA 3.37Å; F183-S342 PolarHBondContact N-O 3.48Å; F183-S342 PolarHBondContact O-N 2.95Å; F183-Y344 AromaticContact CD2-CD2 3.61Å; F183-Y344 HydrophobicContact CD2-CD2 3.61Å; F183-Y344 AromaticContact CD2-CE2 3.58Å; F183-Y344 HydrophobicContact CD2-CE2 3.58Å; F183-Y344 AromaticContact CE2-CD2 3.7Å; F183-Y344 HydrophobicContact CE2-CD2 3.7Å; F183-Y344 AromaticContact CE2-CE2 3.96Å; F183-Y344 HydrophobicContact CE2-CE2 3.96Å
184L97.7Very high95.3Very high15 Ų1541.1 Ų41.18%0.07925%0.247CC..EExtended strand (participates in β ladder)trans-86125170.917256.7000110.2F157 V186 F251 Y280 A281 G282 F339 R340 F341F157-L184 HydrophobicContact CE1-CD2 4.22Å; F157-L184 HydrophobicContact CZ-CD1 3.78Å; F157-L184 HydrophobicContact CZ-CD2 4.08Å; L184-V186 HydrophobicContact CD1-CG2 4.24Å; L184-F251 HydrophobicContact CD2-CE2 4.22Å; L184-Y280 PolarHBondContact N-O 3.06Å; L184-A281 CarbonylContact O-C 3.55Å; L184-A281 WeakPolarHBondContact O-CA 3.42Å; L184-G282 PolarHBondContact O-N 3.36Å; L184-F339 HydrophobicContact CD1-CB 4.24Å; L184-R340 CarbonylContact C-O 3.08Å; L184-R340 WeakPolarHBondContact CA-O 3.28Å; L184-F341 HydrophobicContact CB-CD1 4.19Å; L184-F341 HydrophobicContact CB-CE1 3.81Å; L184-F341 HydrophobicContact CB-CE2 4.19Å; L184-F341 HydrophobicContact CB-CZ 3.81Å; L184-F341 HydrophobicContact CD1-CD2 3.83Å; L184-F341 HydrophobicContact CD1-CE2 3.7Å; L184-F341 HydrophobicContact CD1-CG 4.43Å; L184-F341 HydrophobicContact CD1-CZ 4.2Å; L184-F341 HydrophobicContact CD2-CE2 4.17Å; L184-F341 HydrophobicContact CD2-CZ 4.07Å; L184-F341 HydrophobicContact CG-CE2 4.22Å; L184-F341 HydrophobicContact CG-CZ 4.23Å
185T96.8Very high95.2Very high17 Ų1735.4 Ų35.410%0.10422%0.224CC..EExtended strand (participates in β ladder)trans-125.2140.6168.651.30000109I244 R340T185-I244 HydrophobicContact CG2-CB 4.3Å; T185-I244 HydrophobicContact CG2-CD1 3.8Å; T185-I244 HydrophobicContact CG2-CG2 4.44Å; T185-R340 PolarHBondContact N-O 3.5Å; T185-R340 PolarHBondContact O-N 3.01Å; T185-R340 WeakPolarHBondContact OG1-CB 3.42Å; T185-R340 PolarHBondContact OG1-O 3.43Å
186V94.9Very high95.3Very high78 Ų7836 Ų3647%0.47322%0.221SC..EExtended strand (participates in β ladder)trans-116.6130.5178.21780000108.6L184 M188L184-V186 HydrophobicContact CD1-CG2 4.24Å; V186-M188 HydrophobicContact CG1-CE 4.21Å; V186-M188 HydrophobicContact CG1-CG 4.3Å
187S94.6Very high95.2Very high69 Ų6934.9 Ų34.948%0.48321%0.213SC..EExtended strand (participates in β ladder)trans-101.1132171.9-176.10000108.8S337 S338S187-S337 CarbonylContact O-C 3.53Å; S187-S337 VanDerWaalsContact O-CA 3.27Å; S187-S337 WeakPolarHBondContact O-CA 3.34Å; S187-S338 PolarHBondContact N-O 3.34Å; S187-S338 PolarHBondContact O-N 3.39Å
188M93.7Very high95Very high100 Ų10035.7 Ų35.749%0.49322%0.223SC..  trans-116.7141.4178.1-63.9175.5-178.800109.6V186 G193V186-M188 HydrophobicContact CG1-CE 4.21Å; V186-M188 HydrophobicContact CG1-CG 4.3Å; M188-G193 PolarHBondContact SD-N 2.96Å; M188-G193 VanDerWaalsContact SD-N 3.43Å
189G92.6Very high94.8Very high20 Ų2038.7 Ų38.721%0.20624%0.241CC..  trans-73.6-177.4175.800000112.8E191 G192 G336G189-E191 PolarHBondContact O-N 3.39Å; G189-E191 VanDerWaalsContact O-N 3.14Å; G189-G192 PolarHBondContact O-N 2.82Å; G189-G336 WeakPolarHBondContact CA-O 3.34Å; G189-G336 PolarHBondContact N-O 3.39Å
190P93.3Very high94.6Very high134 Ų13439.3 Ų39.387%0.8724%0.242SC*.THydrogen-bonded Turntrans-61.7-22.5-179.425.2-34.6000113.9G192P190-G192 PolarHBondContact O-N 3.26Å
191E92.2Very high94.4Very high90 Ų9041.5 Ų41.542%0.42125%0.252SS..THydrogen-bonded Turntrans-79.80.8175.9-55.5-61.3150.200113.3G189 K332 Q333G189-E191 PolarHBondContact O-N 3.39Å; G189-E191 VanDerWaalsContact O-N 3.14Å; E191-K332 HydrophobicContact CG-CB 4.46Å; E191-K332 HydrophobicContact CG-CD 3.67Å; E191-K332 HydrophobicContact CG-CG 3.84Å; E191-K332 WeakPolarHBondContact OE1-CE 3.27Å; E191-K332 IonicContact OE1-NZ 2.79Å; E191-K332 PolarHBondContact OE1-NZ 3.37Å; E191-Q333 HydrophobicContact CB-CG 3.67Å; E191-Q333 WeakPolarHBondContact O-CG 3.31Å; E191-Q333 PolarHBondContact O-NE2 3.38Å
192G91.1Very high94.1Very high28 Ų2841.6 Ų41.629%0.28926%0.255SS..  trans70.5-168.8-172.500000113G189 P190G189-G192 PolarHBondContact O-N 2.82Å; P190-G192 PolarHBondContact O-N 3.26Å
193G90.8Very high93.8Very high20 Ų2043.2 Ų43.221%0.20627%0.269CS..  trans-124.6155.8175.100000111.1M188M188-G193 PolarHBondContact SD-N 2.96Å; M188-G193 VanDerWaalsContact SD-N 3.43Å
194C93.6Very high93.6Very high14 Ų1443.2 Ų43.210%0.09527%0.269CS..  trans-148.9148.5176.8-171.50000109.6M323 S325 P329C194-M323 CarbonylContact C-O 3.52Å; C194-M323 WeakPolarHBondContact CA-O 3.37Å; C194-S325 PolarHBondContact SG-OG 3.41Å; C194-P329 HydrophobicContact CB-CB 4.03Å; C194-P329 WeakPolarHBondContact O-CB 3.44Å; C194-P329 WeakPolarHBondContact O-CD 3.43Å; C194-P329 WeakPolarHBondContact O-CG 3.12Å
195I94.7Very high93.4Very high54 Ų5445.1 Ų45.128%0.27728%0.275SS..EExtended strand (participates in β ladder)trans-122.1140.1176.4-55.2172.7000107.9T199 M323 F324 S325I195-T199 HydrophobicContact CG2-CG2 4.16Å; I195-M323 PolarHBondContact N-O 2.78Å; I195-F324 HydrophobicContact CB-CD1 3.63Å; I195-F324 HydrophobicContact CB-CE1 3.65Å; I195-F324 HydrophobicContact CB-CG 4.49Å; I195-F324 HydrophobicContact CD1-CE1 3.95Å; I195-F324 HydrophobicContact CD1-CZ 4.06Å; I195-F324 HydrophobicContact CG1-CE1 4.39Å; I195-F324 HydrophobicContact CG2-CD1 3.78Å; I195-F324 HydrophobicContact CG2-CE1 3.57Å; I195-F324 CarbonylContact O-C 3.48Å; I195-F324 WeakPolarHBondContact O-CA 3.32Å; I195-S325 PolarHBondContact O-N 3.18Å
196H96.1Very high93.1Very high37 Ų3745.8 Ų45.817%0.17129%0.286CS..EExtended strand (participates in β ladder)trans-64.4145.5175.7-173.5-95000111.7F22 G198 T199 S325 K326 Y374F22-H196 HydrophobicContact CD1-CB 3.55Å; F22-H196 AromaticContact CD1-CD2 3.76Å; F22-H196 AromaticContact CD1-CG 3.64Å; F22-H196 AromaticContact CD2-CD2 3.39Å; F22-H196 WeakPolarHBondContact CD2-CD2 3.41Å; F22-H196 AromaticContact CD2-NE2 3.88Å; F22-H196 HydrophobicContact CE1-CB 3.86Å; F22-H196 AromaticContact CE2-CD2 3.99Å; F22-H196 HydrophobicContact CG-CB 4.01Å; F22-H196 AromaticContact CG-CD2 3.26Å; F22-H196 WeakPolarHBondContact CG-CD2 3.38Å; F22-H196 AromaticContact CG-CG 3.55Å; F22-H196 AromaticContact CG-NE2 3.76Å; H196-G198 PolarHBondContact ND1-N 3.37Å; H196-G198 VanDerWaalsContact ND1-N 3.18Å; H196-G198 PolarHBondContact O-N 3.36Å; H196-T199 PolarHBondContact O-N 3.17Å; H196-T199 VanDerWaalsContact O-N 3.12Å; H196-S325 CarbonylContact C-O 3.32Å; H196-S325 WeakPolarHBondContact CA-O 3.21Å; H196-K326 PolarHBondContact NE2-O 3.19Å; H196-Y374 HydrophobicContact CB-CE1 4.34Å; H196-Y374 WeakPolarHBondContact CB-OH 3.21Å; H196-Y374 PolarHBondContact N-OH 3.42Å
197D94.1Very high92.9Very high17 Ų1746 Ų469%0.09128%0.28CS..Hα-helixtrans-61.7-18.8-175.182-40.6000114T199 W200 Q201 P316 S325 K326D197-T199 VanDerWaalsContact C-N 3.25Å; D197-T199 PolarHBondContact O-N 2.61Å; D197-W200 CarbonylContact O-C 3.6Å; D197-W200 WeakPolarHBondContact O-CA 3.19Å; D197-W200 VanDerWaalsContact O-CB 3.26Å; D197-W200 WeakPolarHBondContact O-CB 3.27Å; D197-W200 PolarHBondContact O-N 3.37Å; D197-Q201 WeakPolarHBondContact O-CG 3.38Å; D197-Q201 PolarHBondContact O-N 2.86Å; D197-Q201 PolarHBondContact OD2-NE2 3.17Å; D197-P316 HydrophobicContact CB-CB 4.34Å; D197-P316 HydrophobicContact CB-CG 4.16Å; D197-S325 PolarHBondContact N-O 3Å; D197-K326 HydrophobicContact CB-CG 4.28Å
198G92.1Very high92.6Very high23 Ų2344.7 Ų44.724%0.23727%0.274CS..Hα-helixtrans-52.9-41.5171.300000113.1H196 S202H196-G198 PolarHBondContact ND1-N 3.37Å; H196-G198 VanDerWaalsContact ND1-N 3.18Å; H196-G198 PolarHBondContact O-N 3.36Å; G198-S202 PolarHBondContact O-N 3.4Å; G198-S202 VanDerWaalsContact O-N 3.09Å; G198-S202 PolarHBondContact O-OG 3.09Å
199T92Very high92.3Very high63 Ų6341.1 Ų41.139%0.38726%0.257SS..Hα-helixtrans-69.1-38175.5-54.20000111.1I195 H196 D197 S202 A203 F324I195-T199 HydrophobicContact CG2-CG2 4.16Å; H196-T199 PolarHBondContact O-N 3.17Å; H196-T199 VanDerWaalsContact O-N 3.12Å; D197-T199 VanDerWaalsContact C-N 3.25Å; D197-T199 PolarHBondContact O-N 2.61Å; T199-S202 WeakPolarHBondContact O-CB 3.49Å; T199-S202 PolarHBondContact O-N 2.78Å; T199-A203 PolarHBondContact O-N 3.35Å; T199-F324 HydrophobicContact CG2-CE1 4.01Å
200W93.9Very high92Very high21 Ų2142.9 Ų42.98%0.0827%0.266CS..Hα-helixtrans-61.9-46.6175.9-177.1-116.9000112.2D197 S202 A203 I204 F299 L312 P316 F319 F324D197-W200 CarbonylContact O-C 3.6Å; D197-W200 WeakPolarHBondContact O-CA 3.19Å; D197-W200 VanDerWaalsContact O-CB 3.26Å; D197-W200 WeakPolarHBondContact O-CB 3.27Å; D197-W200 PolarHBondContact O-N 3.37Å; W200-S202 VanDerWaalsContact C-N 3.31Å; W200-S202 PolarHBondContact O-N 3.21Å; W200-A203 WeakPolarHBondContact O-CB 3.31Å; W200-A203 PolarHBondContact O-N 2.93Å; W200-I204 HydrophobicContact CD2-CD1 4.42Å; W200-I204 HydrophobicContact CG-CD1 4.2Å; W200-I204 VanDerWaalsContact O-CG1 3.3Å; W200-I204 WeakPolarHBondContact O-CG1 3.35Å; W200-I204 PolarHBondContact O-N 3.38Å; W200-F299 HydrophobicContact CE3-CE2 4.5Å; W200-F299 AromaticContact CH2-CD2 3.4Å; W200-F299 HydrophobicContact CH2-CD2 3.4Å; W200-F299 AromaticContact CH2-CE2 3.8Å; W200-F299 HydrophobicContact CH2-CE2 3.8Å; W200-F299 HydrophobicContact CH2-CG 4.42Å; W200-F299 AromaticContact CZ2-CD2 3.75Å; W200-F299 HydrophobicContact CZ2-CD2 3.75Å; W200-F299 HydrophobicContact CZ2-CE2 4.04Å; W200-F299 HydrophobicContact CZ3-CD2 4.01Å; W200-F299 HydrophobicContact CZ3-CE2 4.04Å; W200-L312 HydrophobicContact CZ2-CD2 4.04Å; W200-L312 PolarHBondContact NE1-O 3.44Å; W200-P316 HydrophobicContact CG-CB 4.36Å; W200-F319 HydrophobicContact CZ2-CB 4.03Å; W200-F324 HydrophobicContact CB-CB 4Å; W200-F324 HydrophobicContact CB-CD1 3.69Å; W200-F324 HydrophobicContact CB-CE1 4.28Å; W200-F324 HydrophobicContact CB-CG 3.82Å; W200-F324 HydrophobicContact CD2-CB 4.45Å; W200-F324 HydrophobicContact CD2-CD2 4.11Å; W200-F324 HydrophobicContact CD2-CG 4.22Å; W200-F324 HydrophobicContact CE3-CD1 4.45Å; W200-F324 AromaticContact CE3-CD2 3.41Å; W200-F324 HydrophobicContact CE3-CD2 3.41Å; W200-F324 VanDerWaalsContact CE3-CD2 3.41Å; W200-F324 AromaticContact CE3-CE2 3.55Å; W200-F324 HydrophobicContact CE3-CE2 3.55Å; W200-F324 AromaticContact CE3-CG 3.91Å; W200-F324 HydrophobicContact CE3-CG 3.91Å; W200-F324 HydrophobicContact CE3-CZ 4.13Å; W200-F324 HydrophobicContact CG-CB 4.25Å; W200-F324 HydrophobicContact CG-CG 4.23Å; W200-F324 AromaticContact CZ3-CD2 3.9Å; W200-F324 HydrophobicContact CZ3-CD2 3.9Å; W200-F324 AromaticContact CZ3-CE2 3.9Å; W200-F324 HydrophobicContact CZ3-CE2 3.9Å
201Q93.8Very high91.8Very high46 Ų4643.7 Ų43.722%0.21526%0.258CS..Hα-helixtrans-60.8-42.9175.6-66.1-177.534.700111.1P104 D197 A203 I204 Y205 I313P104-Q201 HydrophobicContact CG-CB 4.25Å; D197-Q201 WeakPolarHBondContact O-CG 3.38Å; D197-Q201 PolarHBondContact O-N 2.86Å; D197-Q201 PolarHBondContact OD2-NE2 3.17Å; Q201-A203 VanDerWaalsContact C-N 3.32Å; Q201-A203 PolarHBondContact O-N 3.18Å; Q201-I204 PolarHBondContact O-N 2.7Å; Q201-Y205 WeakPolarHBondContact O-CD2 3.33Å; Q201-Y205 PolarHBondContact O-N 3.38Å; Q201-I313 HydrophobicContact CG-CG1 4.32Å; Q201-I313 HydrophobicContact CG-CG2 4.34Å
202S91.6Very high91.7Very high27 Ų2743.8 Ų43.819%0.18926%0.262CS..Hα-helixtrans-59.7-42.7176.4-54.30000111.5E129 G198 T199 W200 G206E129-S202 PolarHBondContact OE1-OG 3.25Å; G198-S202 PolarHBondContact O-N 3.4Å; G198-S202 VanDerWaalsContact O-N 3.09Å; G198-S202 PolarHBondContact O-OG 3.09Å; T199-S202 WeakPolarHBondContact O-CB 3.49Å; T199-S202 PolarHBondContact O-N 2.78Å; W200-S202 VanDerWaalsContact C-N 3.31Å; W200-S202 PolarHBondContact O-N 3.21Å; S202-G206 PolarHBondContact O-N 3.23Å
203A92.6Very high91.7Very high34 Ų3443.8 Ų43.828%0.28126%0.255SS..Hα-helixtrans-63.1-49.8173.800000112T199 W200 Q201 Y205 G206 F207T199-A203 PolarHBondContact O-N 3.35Å; W200-A203 WeakPolarHBondContact O-CB 3.31Å; W200-A203 PolarHBondContact O-N 2.93Å; Q201-A203 VanDerWaalsContact C-N 3.32Å; Q201-A203 PolarHBondContact O-N 3.18Å; A203-Y205 VanDerWaalsContact C-N 3.35Å; A203-Y205 PolarHBondContact O-N 3.18Å; A203-G206 PolarHBondContact O-N 3.33Å; A203-F207 VanDerWaalsContact O-CD2 3.29Å; A203-F207 WeakPolarHBondContact O-CD2 3.39Å; A203-F207 PolarHBondContact O-N 3.33Å
204I93.8Very high91.7Very high0 Ų047.9 Ų47.90%027%0.268CS..Hα-helixtrans-52.4-52.5178.7-70.4167.9000111W200 Q201 A208 F299 V303 R309 L312 I313W200-I204 HydrophobicContact CD2-CD1 4.42Å; W200-I204 HydrophobicContact CG-CD1 4.2Å; W200-I204 VanDerWaalsContact O-CG1 3.3Å; W200-I204 WeakPolarHBondContact O-CG1 3.35Å; W200-I204 PolarHBondContact O-N 3.38Å; Q201-I204 PolarHBondContact O-N 2.7Å; I204-A208 WeakPolarHBondContact O-CB 3.31Å; I204-A208 PolarHBondContact O-N 2.75Å; I204-F299 HydrophobicContact CG1-CE2 3.59Å; I204-F299 HydrophobicContact CG1-CZ 4.08Å; I204-V303 HydrophobicContact CG2-CG2 4.13Å; I204-V303 WeakPolarHBondContact O-CG2 3.45Å; I204-R309 HydrophobicContact CG2-CB 3.98Å; I204-R309 HydrophobicContact CG2-CG 3.75Å; I204-L312 HydrophobicContact CD1-CB 3.52Å; I204-L312 HydrophobicContact CD1-CD1 4.38Å; I204-L312 HydrophobicContact CG1-CB 4.25Å; I204-L312 HydrophobicContact CG1-CD1 4.22Å; I204-I313 HydrophobicContact CD1-CG1 3.68Å
205Y93.6Very high91.7Very high56 Ų5649.9 Ų49.922%0.2228%0.283CS..Hα-helixtrans-73.6-32.3-178-70-66.3000112.6F107 Q201 A203 A208 D209 I313F107-Y205 HydrophobicContact CE2-CD1 4.19Å; F107-Y205 AromaticContact CE2-CD2 3.55Å; F107-Y205 HydrophobicContact CE2-CD2 3.55Å; F107-Y205 HydrophobicContact CE2-CE1 4.41Å; F107-Y205 AromaticContact CE2-CE2 3.82Å; F107-Y205 HydrophobicContact CE2-CE2 3.82Å; F107-Y205 AromaticContact CE2-CG 3.75Å; F107-Y205 HydrophobicContact CE2-CG 3.75Å; F107-Y205 AromaticContact CZ-CD1 3.69Å; F107-Y205 HydrophobicContact CZ-CD1 3.69Å; F107-Y205 AromaticContact CZ-CD2 3.94Å; F107-Y205 HydrophobicContact CZ-CD2 3.94Å; F107-Y205 AromaticContact CZ-CE1 3.99Å; F107-Y205 HydrophobicContact CZ-CE1 3.99Å; F107-Y205 HydrophobicContact CZ-CE2 4.23Å; F107-Y205 AromaticContact CZ-CG 3.66Å; F107-Y205 HydrophobicContact CZ-CG 3.66Å; Q201-Y205 WeakPolarHBondContact O-CD2 3.33Å; Q201-Y205 PolarHBondContact O-N 3.38Å; A203-Y205 VanDerWaalsContact C-N 3.35Å; A203-Y205 PolarHBondContact O-N 3.18Å; Y205-A208 PolarHBondContact O-N 3.02Å; Y205-D209 WeakPolarHBondContact O-CB 3.43Å; Y205-D209 PolarHBondContact O-N 3.34Å; Y205-D209 VanDerWaalsContact O-N 3.1Å; Y205-I313 HydrophobicContact CE2-CD1 3.82Å; Y205-I313 VanDerWaalsContact OH-CD1 3.32Å; Y205-I313 WeakPolarHBondContact OH-CD1 3.37Å
206G90.3Very high91.7Very high31 Ų3148.2 Ų48.232%0.3227%0.274SS..Hα-helixtrans-61.1-46.9173.400000112.7S202 A203 D209 S210S202-G206 PolarHBondContact O-N 3.23Å; A203-G206 PolarHBondContact O-N 3.33Å; G206-D209 PolarHBondContact O-N 3.24Å; G206-S210 PolarHBondContact O-N 3.25Å
207F89.7Confident91.6Very high82 Ų8251.8 Ų51.836%0.3629%0.286SS..Hα-helixtrans-66.8-43.6176.7-87.1-86.8000112.2A203 D209 S210 M252 F299 V303A203-F207 VanDerWaalsContact O-CD2 3.29Å; A203-F207 WeakPolarHBondContact O-CD2 3.39Å; A203-F207 PolarHBondContact O-N 3.33Å; F207-D209 PolarHBondContact O-N 2.87Å; F207-S210 PolarHBondContact O-N 3.22Å; F207-S210 PolarHBondContact O-OG 2.97Å; F207-M252 HydrophobicContact CE1-CE 3.48Å; F207-M252 VanDerWaalsContact CE1-CE 3.48Å; F207-M252 HydrophobicContact CE1-SD 4.34Å; F207-M252 HydrophobicContact CZ-CB 4.41Å; F207-M252 HydrophobicContact CZ-CE 3.61Å; F207-M252 HydrophobicContact CZ-SD 4Å; F207-F299 HydrophobicContact CB-CE1 4.09Å; F207-F299 HydrophobicContact CB-CZ 4.49Å; F207-F299 HydrophobicContact CD1-CE1 4.45Å; F207-F299 AromaticContact CD2-CE1 3.73Å; F207-F299 HydrophobicContact CD2-CE1 3.73Å; F207-F299 HydrophobicContact CD2-CZ 4.03Å; F207-F299 HydrophobicContact CE2-CE1 4.26Å; F207-F299 AromaticContact CG-CE1 3.84Å; F207-F299 HydrophobicContact CG-CE1 3.84Å; F207-F299 HydrophobicContact CG-CZ 4.43Å; F207-V303 HydrophobicContact CB-CG2 4.06Å
208A88.9Confident91.6Very high42 Ų4259.9 Ų59.935%0.34732%0.316SS..Hα-helixtrans-60.5-26.3177.800000113I204 Y205 V303I204-A208 WeakPolarHBondContact O-CB 3.31Å; I204-A208 PolarHBondContact O-N 2.75Å; Y205-A208 PolarHBondContact O-N 3.02Å; A208-V303 HydrophobicContact CB-CG2 4.19Å
209D87.9Confident91.7Very high25 Ų2566 Ų6613%0.13434%0.336CS..THydrogen-bonded Turntrans-105.812.5-174.3-166.873.6000114.3R106 Y205 G206 F207 Q211 N212 L213R106-D209 VanDerWaalsContact CZ-CB 3.48Å; R106-D209 VanDerWaalsContact CZ-CG 3.4Å; R106-D209 IonicContact CZ-OD2 2.77Å; R106-D209 IonicContact NH1-OD1 3.86Å; R106-D209 PolarHBondContact NH1-OD1 2.95Å; R106-D209 IonicContact NH1-OD2 3.68Å; R106-D209 PolarHBondContact NH1-OD2 3.41Å; R106-D209 VanDerWaalsContact NH2-CB 3.27Å; R106-D209 VanDerWaalsContact NH2-CG 3.33Å; R106-D209 IonicContact NH2-OD2 3.35Å; R106-D209 PolarHBondContact NH2-OD2 3.24Å; Y205-D209 WeakPolarHBondContact O-CB 3.43Å; Y205-D209 PolarHBondContact O-N 3.34Å; Y205-D209 VanDerWaalsContact O-N 3.1Å; G206-D209 PolarHBondContact O-N 3.24Å; F207-D209 PolarHBondContact O-N 2.87Å; D209-Q211 PolarHBondContact O-N 2.83Å; D209-N212 PolarHBondContact O-N 2.92Å; D209-N212 WeakPolarHBondContact OD1-CB 3.43Å; D209-N212 PolarHBondContact OD1-ND2 2.81Å; D209-N212 WeakPolarHBondContact OD2-CB 3.48Å; D209-L213 PolarHBondContact O-N 3.44Å
210S86.4Confident91.7Very high57 Ų5764.6 Ų64.640%0.39932%0.324SS..Hα-helixtrans-52.7-31.5-176.754.80000114.7G206 F207 Q214G206-S210 PolarHBondContact O-N 3.25Å; F207-S210 PolarHBondContact O-N 3.22Å; F207-S210 PolarHBondContact O-OG 2.97Å; S210-Q214 WeakPolarHBondContact O-CG 3.46Å; S210-Q214 PolarHBondContact O-N 2.9Å
211Q88.8Confident91.5Very high150 Ų15070.6 Ų70.670%0.70136%0.358SS*.Hα-helixtrans-68.3-41.3175.9-67-178.10.800112.8D209 L213 Q214 S215D209-Q211 PolarHBondContact O-N 2.83Å; Q211-L213 VanDerWaalsContact C-N 3.34Å; Q211-Q214 WeakPolarHBondContact O-CB 3.39Å; Q211-Q214 PolarHBondContact O-N 3.47Å; Q211-S215 PolarHBondContact O-N 3.26Å; Q211-S215 PolarHBondContact O-OG 3.38Å
212N89.6Confident91.3Very high93 Ų9372.7 Ų72.750%0.49737%0.367SS..Hα-helixtrans-69.1-34.7178.2-75.4-30.9000111.4D209 Q214 S215 L216D209-N212 PolarHBondContact O-N 2.92Å; D209-N212 WeakPolarHBondContact OD1-CB 3.43Å; D209-N212 PolarHBondContact OD1-ND2 2.81Å; D209-N212 WeakPolarHBondContact OD2-CB 3.48Å; N212-Q214 VanDerWaalsContact C-N 3.33Å; N212-Q214 PolarHBondContact O-N 3.36Å; N212-S215 PolarHBondContact O-N 2.98Å; N212-L216 VanDerWaalsContact O-CB 3.3Å; N212-L216 WeakPolarHBondContact O-CB 3.49Å; N212-L216 PolarHBondContact O-N 3.23Å
213L90.9Very high91.2Very high28 Ų2879.8 Ų79.815%0.14740%0.395CS..Hα-helixtrans-59.8-42.2169.617759.4000112P130 Q131 D209 Q211 L216 R217P130-L213 HydrophobicContact CB-CD1 4.1Å; P130-L213 HydrophobicContact CB-CD2 3.96Å; Q131-L213 HydrophobicContact CB-CB 4.31Å; Q131-L213 HydrophobicContact CB-CD1 4.09Å; D209-L213 PolarHBondContact O-N 3.44Å; Q211-L213 VanDerWaalsContact C-N 3.34Å; L213-L216 PolarHBondContact O-N 3.03Å; L213-R217 WeakPolarHBondContact O-CG 3.29Å; L213-R217 PolarHBondContact O-N 2.81Å
214Q91.8Very high91Very high105 Ų10583.8 Ų83.849%0.49142%0.418SS..Hα-helixtrans-63.8-44.2175.1-69.1176.419.900111.8S210 Q211 N212 L216 R217 R218S210-Q214 WeakPolarHBondContact O-CG 3.46Å; S210-Q214 PolarHBondContact O-N 2.9Å; Q211-Q214 WeakPolarHBondContact O-CB 3.39Å; Q211-Q214 PolarHBondContact O-N 3.47Å; N212-Q214 VanDerWaalsContact C-N 3.33Å; N212-Q214 PolarHBondContact O-N 3.36Å; Q214-L216 VanDerWaalsContact C-N 3.34Å; Q214-L216 PolarHBondContact O-N 2.78Å; Q214-R217 PolarHBondContact O-N 2.89Å; Q214-R218 WeakPolarHBondContact O-CG 3.41Å; Q214-R218 PolarHBondContact O-N 3Å
215S93.8Very high90.9Very high57 Ų5785.5 Ų85.540%0.39943%0.427SS..Hα-helixtrans-61.4-42.3176.3-64.40000111.9Q211 N212 R218 K219Q211-S215 PolarHBondContact O-N 3.26Å; Q211-S215 PolarHBondContact O-OG 3.38Å; N212-S215 PolarHBondContact O-N 2.98Å; S215-R218 PolarHBondContact O-N 2.81Å; S215-K219 PolarHBondContact O-N 3.11Å
216L94Very high90.7Very high19 Ų1986.7 Ų86.710%0.09944%0.441CS..Hα-helixtrans-59.4-47.7174.9177.866.5000111.5Q131 E134 L138 N212 L213 Q214 R218 K219 F220Q131-L216 HydrophobicContact CG-CD2 4.3Å; Q131-L216 WeakPolarHBondContact O-CD2 3.18Å; E134-L216 HydrophobicContact CB-CD2 3.83Å; L138-L216 HydrophobicContact CB-CD1 4.47Å; L138-L216 HydrophobicContact CD2-CD1 3.54Å; N212-L216 VanDerWaalsContact O-CB 3.3Å; N212-L216 WeakPolarHBondContact O-CB 3.49Å; N212-L216 PolarHBondContact O-N 3.23Å; L213-L216 PolarHBondContact O-N 3.03Å; Q214-L216 VanDerWaalsContact C-N 3.34Å; Q214-L216 PolarHBondContact O-N 2.78Å; L216-R218 PolarHBondContact O-N 3.48Å; L216-K219 WeakPolarHBondContact O-CB 3.42Å; L216-K219 PolarHBondContact O-N 3.46Å; L216-F220 HydrophobicContact CG-CE2 4.49Å
217R94.2Very high90.7Very high111 Ų11189.4 Ų89.442%0.41945%0.452SS..Hα-helixtrans-58.6-32.6177.8-78.4170.5175.81731.7113.6E134 L213 Q214 K219E134-R217 IonicContact OE1-CZ 3.39Å; E134-R217 IonicContact OE1-NE 2.71Å; E134-R217 PolarHBondContact OE1-NE 2.96Å; E134-R217 IonicContact OE1-NH2 2.64Å; E134-R217 PolarHBondContact OE1-NH2 3.24Å; E134-R217 WeakPolarHBondContact OE2-CG 3.17Å; E134-R217 IonicContact OE2-CZ 3.09Å; E134-R217 IonicContact OE2-NE 2.6Å; E134-R217 PolarHBondContact OE2-NE 3.29Å; L213-R217 WeakPolarHBondContact O-CG 3.29Å; L213-R217 PolarHBondContact O-N 2.81Å; Q214-R217 PolarHBondContact O-N 2.89Å; R217-K219 VanDerWaalsContact C-N 3.34Å
218R93.4Very high90.7Very high188 Ų18887.3 Ų87.371%0.70945%0.446SS*.Hα-helixtrans-68.8-31.9175.6-68.2174.4-174.5174.32.7112.2Q214 S215 L216 F220 N221Q214-R218 WeakPolarHBondContact O-CG 3.41Å; Q214-R218 PolarHBondContact O-N 3Å; S215-R218 PolarHBondContact O-N 2.81Å; L216-R218 PolarHBondContact O-N 3.48Å; R218-F220 VanDerWaalsContact C-N 3.29Å; R218-F220 PolarHBondContact O-N 2.96Å; R218-N221 PolarHBondContact O-N 3.38Å; R218-N221 VanDerWaalsContact O-N 3.16Å
219K95.5Very high90.8Very high152 Ų15286.5 Ų86.566%0.66144%0.442SS*.Hα-helixtrans-64.8-30.3179.9-64.3-178.3179.7-176.80113.4L138 S215 L216 R217 N221L138-K219 HydrophobicContact CD2-CB 3.82Å; L138-K219 HydrophobicContact CD2-CD 3.91Å; S215-K219 PolarHBondContact O-N 3.11Å; L216-K219 WeakPolarHBondContact O-CB 3.42Å; L216-K219 PolarHBondContact O-N 3.46Å; R217-K219 VanDerWaalsContact C-N 3.34Å; K219-N221 PolarHBondContact O-N 3.42Å
220F91.7Very high90.9Very high33 Ų3387.6 Ų87.615%0.14545%0.452CS..THydrogen-bonded Turntrans-63.1-23.3175.6-81-82000113.7E134 Q137 L138 L216 R218 H222E134-F220 HydrophobicContact CB-CE2 4.06Å; E134-F220 HydrophobicContact CB-CZ 4.39Å; E134-F220 WeakPolarHBondContact O-CZ 3.47Å; Q137-F220 HydrophobicContact CB-CE1 4.48Å; Q137-F220 HydrophobicContact CB-CZ 4.2Å; Q137-F220 HydrophobicContact CG-CE1 4.17Å; Q137-F220 HydrophobicContact CG-CZ 4.37Å; L138-F220 HydrophobicContact CB-CE1 4.15Å; L138-F220 HydrophobicContact CB-CE2 4.1Å; L138-F220 HydrophobicContact CB-CZ 3.72Å; L138-F220 HydrophobicContact CD1-CD1 4.06Å; L138-F220 HydrophobicContact CD1-CD2 4.47Å; L138-F220 HydrophobicContact CD1-CE1 4.08Å; L138-F220 HydrophobicContact CD1-CE2 4.47Å; L138-F220 HydrophobicContact CD1-CG 4.28Å; L138-F220 HydrophobicContact CD1-CZ 4.31Å; L216-F220 HydrophobicContact CG-CE2 4.49Å; R218-F220 VanDerWaalsContact C-N 3.29Å; R218-F220 PolarHBondContact O-N 2.96Å; F220-H222 AromaticContact CD1-CE1 3.22Å; F220-H222 WeakPolarHBondContact CD1-CE1 3.37Å; F220-H222 AromaticContact CD1-NE2 3.43Å; F220-H222 WeakPolarHBondContact CD1-NE2 3.28Å; F220-H222 AromaticContact CE1-CE1 3.98Å; F220-H222 AromaticContact CG-CE1 3.55Å; F220-H222 AromaticContact CG-ND1 3.94Å; F220-H222 AromaticContact CG-NE2 3.99Å; F220-H222 PolarHBondContact O-N 3.2Å
221N89.7Confident91.2Very high147 Ų14793 Ų9379%0.78647%0.468SS*.  trans48.134.2-177.3-163.431.2000113.8R218 K219R218-N221 PolarHBondContact O-N 3.38Å; R218-N221 VanDerWaalsContact O-N 3.16Å; K219-N221 PolarHBondContact O-N 3.42Å
222H88.3Confident91.4Very high89 Ų8987.1 Ų87.141%0.41244%0.441SS..PPolyproline II helixtrans-69.6136.9-176.7-72153.3000111.5F220F220-H222 AromaticContact CD1-CE1 3.22Å; F220-H222 WeakPolarHBondContact CD1-CE1 3.37Å; F220-H222 AromaticContact CD1-NE2 3.43Å; F220-H222 WeakPolarHBondContact CD1-NE2 3.28Å; F220-H222 AromaticContact CE1-CE1 3.98Å; F220-H222 AromaticContact CG-CE1 3.55Å; F220-H222 AromaticContact CG-ND1 3.94Å; F220-H222 AromaticContact CG-NE2 3.99Å; F220-H222 PolarHBondContact O-N 3.2Å
223K89.3Confident91.4Very high177 Ų17793.3 Ų93.377%0.7746%0.457SS*.PPolyproline II helixtrans-61144.4160.9-66.1-177.4-177.8177.40109.5L225 R264K223-L225 PolarHBondContact O-N 2.73Å; K223-R264 PolarHBondContact O-NH1 3.4Å; K223-R264 PolarHBondContact O-NH2 3.06Å
224P89.7Confident91.4Very high117 Ų11799.6 Ų99.676%0.7648%0.479SS*.PPolyproline II helixtrans-51.4143.4172.1-25.834.7000111
225L91.8Very high91.5Very high36 Ų3697.5 Ų97.519%0.18847%0.467CS..PPolyproline II helixtrans-61.8135.5171.9-82.4167.7000109.2K223 T227 K260 Q263 R264K223-L225 PolarHBondContact O-N 2.73Å; L225-T227 PolarHBondContact O-N 3.08Å; L225-K260 HydrophobicContact CD1-CG 3.75Å; L225-Q263 HydrophobicContact CD1-CB 4.45Å; L225-R264 HydrophobicContact CD1-CB 4.3Å; L225-R264 VanDerWaalsContact CD2-CA 3.48Å; L225-R264 HydrophobicContact CD2-CB 3.73Å; L225-R264 HydrophobicContact CD2-CG 4.12Å; L225-R264 HydrophobicContact CG-CB 4.39Å
226P89.2Confident91.5Very high81 Ų8196.9 Ų96.953%0.52647%0.469SS..PPolyproline II helixtrans-53.4133.9173.8-24.734000110.2P274P226-P274 HydrophobicContact CB-CG 4.45Å
227T90.9Very high91.3Very high89 Ų89100.1 Ų100.155%0.54650%0.498SS..PPolyproline II helixtrans-95117.2170.5-57.10000107.3L225 Q276L225-T227 PolarHBondContact O-N 3.08Å; T227-Q276 HydrophobicContact CG2-CG 4.48Å
228V89.6Confident91.4Very high37 Ų3798.6 Ų98.622%0.22450%0.498CS..  trans-105.9133.4176.7-179.10000108.3T178 T273 Q276 P354T178-V228 WeakPolarHBondContact CB-O 3.4Å; T178-V228 HydrophobicContact CG2-CG1 4.08Å; V228-T273 HydrophobicContact CB-CG2 3.84Å; V228-T273 HydrophobicContact CG1-CG2 3.78Å; V228-T273 HydrophobicContact CG2-CG2 3.99Å; V228-Q276 PolarHBondContact O-NE2 2.79Å; V228-P354 HydrophobicContact CG1-CB 3.49Å; V228-P354 VanDerWaalsContact CG1-CB 3.49Å; V228-P354 HydrophobicContact CG1-CG 3.96Å
229G89.9Confident91.5Very high26 Ų2691.2 Ų91.227%0.26847%0.471SS..SBendtrans74.5-162.7-178.100000114.7Y348 P354G229-Y348 WeakPolarHBondContact CA-OH 3.17Å; G229-P354 VanDerWaalsContact CA-O 3.3Å; G229-P354 WeakPolarHBondContact CA-O 3.26Å
230S91.1Very high91.5Very high48 Ų4888.8 Ų88.834%0.33646%0.459SS..SBendtrans-63.4134.7177.1-73.60000111.7L232 Q276 Y348 P359S230-L232 PolarHBondContact O-N 3.31Å; S230-Q276 PolarHBondContact O-NE2 3.41Å; S230-Y348 PolarHBondContact N-OH 2.9Å; S230-P359 WeakPolarHBondContact OG-CD 3.21Å
231K92.1Very high91.7Very high171 Ų17187.2 Ų87.274%0.74345%0.452SS*.PPolyproline II helixtrans-64126.8178.3-171.3176.3-176.5177.80110.7R233K231-R233 PolarHBondContact O-N 3.08Å
232L93.1Very high91.9Very high25 Ų2585.9 Ų85.913%0.13145%0.445CS..PPolyproline II helixtrans-61.1121.2175177.563.5000109.8A179 E181 S230 R234 Q276A179-L232 HydrophobicContact CB-CB 4.22Å; A179-L232 HydrophobicContact CB-CD1 4.21Å; E181-L232 HydrophobicContact CG-CD1 3.77Å; E181-L232 HydrophobicContact CG-CD2 4.46Å; S230-L232 PolarHBondContact O-N 3.31Å; L232-R234 PolarHBondContact O-N 3.11Å; L232-Q276 HydrophobicContact CB-CB 3.94Å; L232-Q276 HydrophobicContact CD2-CB 4.34Å
233R90.1Very high92Very high223 Ų22384.4 Ų84.484%0.84244%0.438SS*.  trans-78.2114.1176.9-68-175.5178.7-171.1-1.4109.2K231 R235K231-R233 PolarHBondContact O-N 3.08Å; R233-R235 PolarHBondContact O-N 3.32Å
234R90.5Very high92.3Very high161 Ų16177.1 Ų77.161%0.60841%0.407SS*.  trans-67.6127.3174.7-63.8-69.1179.1173.8-10109.7L232 Y277L232-R234 PolarHBondContact O-N 3.11Å; R234-Y277 PolarHBondContact NH1-O 2.72Å; R234-Y277 PolarHBondContact NH2-O 2.67Å
235R93.9Very high92.5Very high61 Ų6177.5 Ų77.523%0.2340%0.399CS..  trans-67.8158.7170.2-51.4-172.6179.6-1440.9111.4E181 R233 F239 E243 Y280E181-R235 WeakPolarHBondContact OE1-CD 3.25Å; E181-R235 WeakPolarHBondContact OE1-CG 3.38Å; E181-R235 IonicContact OE1-CZ 3.87Å; E181-R235 IonicContact OE1-NE 2.9Å; E181-R235 PolarHBondContact OE1-NE 3.37Å; E181-R235 IonicContact OE1-NH2 3.96Å; E181-R235 IonicContact OE2-CZ 3.39Å; E181-R235 IonicContact OE2-NE 3.18Å; E181-R235 PolarHBondContact OE2-NE 3.46Å; E181-R235 IonicContact OE2-NH2 2.75Å; E181-R235 PolarHBondContact OE2-NH2 2.9Å; R233-R235 PolarHBondContact O-N 3.32Å; R235-F239 HydrophobicContact CB-CD1 3.69Å; R235-F239 HydrophobicContact CB-CD2 4.46Å; R235-F239 HydrophobicContact CB-CE1 3.43Å; R235-F239 VanDerWaalsContact CB-CE1 3.43Å; R235-F239 HydrophobicContact CB-CE2 4.25Å; R235-F239 HydrophobicContact CB-CG 4.21Å; R235-F239 HydrophobicContact CB-CZ 3.74Å; R235-F239 HydrophobicContact CG-CE1 4.27Å; R235-F239 HydrophobicContact CG-CE2 4.31Å; R235-F239 HydrophobicContact CG-CZ 4.07Å; R235-E243 IonicContact CZ-OE1 3.56Å; R235-E243 IonicContact CZ-OE2 3.72Å; R235-E243 IonicContact NH1-OE1 3.42Å; R235-E243 PolarHBondContact NH1-OE1 3.04Å; R235-E243 IonicContact NH1-OE2 2.91Å; R235-E243 PolarHBondContact NH1-OE2 3.27Å; R235-E243 VanDerWaalsContact NH2-CD 3.34Å; R235-E243 IonicContact NH2-OE1 2.77Å; R235-E243 PolarHBondContact NH2-OE1 3.44Å; R235-E243 IonicContact NH2-OE2 3.62Å; R235-Y280 HydrophobicContact CB-CE1 3.71Å; R235-Y280 HydrophobicContact CG-CE1 4.21Å; R235-Y280 HydrophobicContact CG-CE2 4.22Å; R235-Y280 PolarHBondContact N-OH 2.78Å
236G92.8Very high92.7Very high44 Ų4478.7 Ų78.745%0.45440%0.403SS..  trans-67178.7-177.600000113.9L238G236-L238 PolarHBondContact O-N 3.31Å
237A91.6Very high93.1Very high86 Ų8678.2 Ų78.271%0.71139%0.392SS*.SBendtrans-67.9-25.4-177.600000113.5L249 P250A237-L249 WeakPolarHBondContact O-CB 3.43Å; A237-P250 VanDerWaalsContact O-CD 3.29Å; A237-P250 WeakPolarHBondContact O-CD 3.16Å
238L94.6Very high93.4Very high79 Ų7974 Ų7441%0.41437%0.366SS..SBendtrans-148.4132.3172178.466.7000107.6G236 Y247 I289G236-L238 PolarHBondContact O-N 3.31Å; L238-Y247 HydrophobicContact CD1-CD1 4.28Å; L238-Y247 HydrophobicContact CG-CD1 4.43Å; L238-I289 HydrophobicContact CD1-CD1 4.16Å; L238-I289 HydrophobicContact CD1-CG1 4.33Å; L238-I289 HydrophobicContact CD1-CG2 4.41Å; L238-I289 HydrophobicContact CD2-CD1 4.27Å; L238-I289 HydrophobicContact CD2-CG2 3.75Å
239F95.8Very high93.7Very high33 Ų3374.8 Ų74.815%0.14537%0.368CS..EExtended strand (participates in β ladder)trans-153.9155.617760.8-82.4000110.5F183 R235 Y247 A248 Y280F183-F239 AromaticContact CE1-CE2 3.94Å; F183-F239 HydrophobicContact CE1-CE2 3.94Å; F183-F239 AromaticContact CE1-CZ 3.94Å; F183-F239 HydrophobicContact CE1-CZ 3.94Å; R235-F239 HydrophobicContact CB-CD1 3.69Å; R235-F239 HydrophobicContact CB-CD2 4.46Å; R235-F239 HydrophobicContact CB-CE1 3.43Å; R235-F239 VanDerWaalsContact CB-CE1 3.43Å; R235-F239 HydrophobicContact CB-CE2 4.25Å; R235-F239 HydrophobicContact CB-CG 4.21Å; R235-F239 HydrophobicContact CB-CZ 3.74Å; R235-F239 HydrophobicContact CG-CE1 4.27Å; R235-F239 HydrophobicContact CG-CE2 4.31Å; R235-F239 HydrophobicContact CG-CZ 4.07Å; F239-Y247 CarbonylContact O-C 3.58Å; F239-Y247 WeakPolarHBondContact O-CA 3.27Å; F239-A248 HydrophobicContact CE1-CB 4.13Å; F239-A248 HydrophobicContact CE2-CB 3.84Å; F239-A248 HydrophobicContact CZ-CB 3.61Å; F239-A248 PolarHBondContact N-O 2.96Å; F239-A248 VanDerWaalsContact N-O 3.07Å; F239-A248 PolarHBondContact O-N 3.23Å; F239-Y280 AromaticContact CE1-CD1 3.59Å; F239-Y280 HydrophobicContact CE1-CD1 3.59Å; F239-Y280 AromaticContact CE1-CE1 3.85Å; F239-Y280 HydrophobicContact CE1-CE1 3.85Å; F239-Y280 HydrophobicContact CE1-CG 4.34Å; F239-Y280 AromaticContact CZ-CD1 3.61Å; F239-Y280 HydrophobicContact CZ-CD1 3.61Å; F239-Y280 HydrophobicContact CZ-CE1 4.07Å; F239-Y280 AromaticContact CZ-CG 3.89Å; F239-Y280 HydrophobicContact CZ-CG 3.89Å
240Y96.1Very high93.9Very high101 Ų10175.9 Ų75.940%0.39637%0.371SS..EExtended strand (participates in β ladder)trans-82.3128.2168.1-170.8-100.3000109.5Q245 Y247Y240-Q245 VanDerWaalsContact OH-C 3.25Å; Y240-Q245 WeakPolarHBondContact OH-CA 3.28Å; Y240-Q245 PolarHBondContact OH-O 2.92Å; Y240-Q245 VanDerWaalsContact OH-O 3.07Å; Y240-Q245 PolarHBondContact OH-OE1 3.34Å; Y240-Y247 HydrophobicContact CD2-CD1 4.4Å; Y240-Y247 AromaticContact CD2-CD2 3.87Å; Y240-Y247 HydrophobicContact CD2-CD2 3.87Å; Y240-Y247 HydrophobicContact CD2-CE1 4.4Å; Y240-Y247 AromaticContact CD2-CE2 3.86Å; Y240-Y247 HydrophobicContact CD2-CE2 3.86Å; Y240-Y247 HydrophobicContact CD2-CG 4.15Å; Y240-Y247 HydrophobicContact CE2-CD2 4.45Å; Y240-Y247 HydrophobicContact CE2-CE2 4.47Å
241S95.8Very high94.1Very high0 Ų076 Ų760%037%0.365CS..EExtended strand (participates in β ladder)trans-102.7110.9-178.1-174.10000109.7F183 E243 I244 Q245 E246F183-S241 VanDerWaalsContact CE1-OG 3.24Å; F183-S241 WeakPolarHBondContact CE1-OG 3.32Å; S241-E243 PolarHBondContact O-N 3.13Å; S241-E243 PolarHBondContact OG-OE2 3.17Å; S241-I244 PolarHBondContact O-N 3.32Å; S241-Q245 WeakPolarHBondContact O-CA 3.45Å; S241-Q245 PolarHBondContact O-N 3.49Å; S241-E246 WeakPolarHBondContact CB-O 3.31Å; S241-E246 PolarHBondContact N-O 2.82Å; S241-E246 PolarHBondContact O-N 3.09Å
242N93.4Very high93.8Very high119 Ų11974.5 Ų74.564%0.63636%0.363SS*.THydrogen-bonded Turntrans-65.7-22.8175.5-68.4-33000111.5Q245N242-Q245 PolarHBondContact O-NE2 2.84Å
243E91.2Very high93.6Very high59 Ų5974.8 Ų74.828%0.27637%0.372SS..THydrogen-bonded Turntrans-67-34.9179.9-71.386.7173.100113.6F183 R235 S241 Y344F183-E243 HydrophobicContact CE2-CB 4.42Å; R235-E243 IonicContact CZ-OE1 3.56Å; R235-E243 IonicContact CZ-OE2 3.72Å; R235-E243 IonicContact NH1-OE1 3.42Å; R235-E243 PolarHBondContact NH1-OE1 3.04Å; R235-E243 IonicContact NH1-OE2 2.91Å; R235-E243 PolarHBondContact NH1-OE2 3.27Å; R235-E243 VanDerWaalsContact NH2-CD 3.34Å; R235-E243 IonicContact NH2-OE1 2.77Å; R235-E243 PolarHBondContact NH2-OE1 3.44Å; R235-E243 IonicContact NH2-OE2 3.62Å; S241-E243 PolarHBondContact O-N 3.13Å; S241-E243 PolarHBondContact OG-OE2 3.17Å; E243-Y344 HydrophobicContact CB-CD2 4.46Å; E243-Y344 HydrophobicContact CB-CE1 4.05Å; E243-Y344 HydrophobicContact CB-CE2 3.71Å; E243-Y344 VanDerWaalsContact CB-CZ 3.47Å; E243-Y344 WeakPolarHBondContact CB-OH 3.33Å; E243-Y344 HydrophobicContact CG-CD1 4.17Å; E243-Y344 HydrophobicContact CG-CD2 4.33Å; E243-Y344 HydrophobicContact CG-CE1 3.84Å; E243-Y344 HydrophobicContact CG-CE2 4.01Å; E243-Y344 HydrophobicContact CG-CG 4.41Å; E243-Y344 PolarHBondContact O-OH 3.18Å
244I94.5Very high93.8Very high24 Ų2464.3 Ų64.312%0.12333%0.333CS..THydrogen-bonded Turntrans-119.7-1.1-178.860.5164.8000113.2F183 T185 S241 E246 A248F183-I244 HydrophobicContact CB-CD1 4.28Å; F183-I244 HydrophobicContact CB-CG2 3.66Å; F183-I244 HydrophobicContact CD1-CD1 3.99Å; F183-I244 HydrophobicContact CD1-CG1 4.29Å; F183-I244 HydrophobicContact CD1-CG2 4.45Å; F183-I244 HydrophobicContact CG-CG2 4.05Å; T185-I244 HydrophobicContact CG2-CB 4.3Å; T185-I244 HydrophobicContact CG2-CD1 3.8Å; T185-I244 HydrophobicContact CG2-CG2 4.44Å; S241-I244 PolarHBondContact O-N 3.32Å; I244-E246 HydrophobicContact CD1-CB 3.99Å; I244-E246 HydrophobicContact CG1-CB 4.14Å; I244-E246 PolarHBondContact O-N 3.19Å; I244-A248 HydrophobicContact CD1-CB 4.38Å
245Q95.4Very high94.1Very high124 Ų12456.7 Ų56.758%0.57930%0.304SS*.THydrogen-bonded Turntrans57.930.7-178.3-60.5-66.9-61.300113.9Y240 S241 N242Y240-Q245 VanDerWaalsContact OH-C 3.25Å; Y240-Q245 WeakPolarHBondContact OH-CA 3.28Å; Y240-Q245 PolarHBondContact OH-O 2.92Å; Y240-Q245 VanDerWaalsContact OH-O 3.07Å; Y240-Q245 PolarHBondContact OH-OE1 3.34Å; S241-Q245 WeakPolarHBondContact O-CA 3.45Å; S241-Q245 PolarHBondContact O-N 3.49Å; N242-Q245 PolarHBondContact O-NE2 2.84Å
246E95.9Very high94.2Very high61 Ų6155.9 Ų55.929%0.28531%0.307SS..EExtended strand (participates in β ladder)trans-136.3162-179.5-67-177-16100111.2S241 I244 G284S241-E246 WeakPolarHBondContact CB-O 3.31Å; S241-E246 PolarHBondContact N-O 2.82Å; S241-E246 PolarHBondContact O-N 3.09Å; I244-E246 HydrophobicContact CD1-CB 3.99Å; I244-E246 HydrophobicContact CG1-CB 4.14Å; I244-E246 PolarHBondContact O-N 3.19Å; E246-G284 WeakPolarHBondContact OE2-CA 3.25Å; E246-G284 PolarHBondContact OE2-N 3.05Å
247Y96.8Very high94.4Very high72 Ų7254.3 Ų54.328%0.28229%0.289SS..EExtended strand (participates in β ladder)trans-69.5142.4162.1-73.3-92000109.9L238 F239 Y240 G282 V283 G284 I289L238-Y247 HydrophobicContact CD1-CD1 4.28Å; L238-Y247 HydrophobicContact CG-CD1 4.43Å; F239-Y247 CarbonylContact O-C 3.58Å; F239-Y247 WeakPolarHBondContact O-CA 3.27Å; Y240-Y247 HydrophobicContact CD2-CD1 4.4Å; Y240-Y247 AromaticContact CD2-CD2 3.87Å; Y240-Y247 HydrophobicContact CD2-CD2 3.87Å; Y240-Y247 HydrophobicContact CD2-CE1 4.4Å; Y240-Y247 AromaticContact CD2-CE2 3.86Å; Y240-Y247 HydrophobicContact CD2-CE2 3.86Å; Y240-Y247 HydrophobicContact CD2-CG 4.15Å; Y240-Y247 HydrophobicContact CE2-CD2 4.45Å; Y240-Y247 HydrophobicContact CE2-CE2 4.47Å; Y247-G282 WeakPolarHBondContact O-CA 3.33Å; Y247-V283 WeakPolarHBondContact O-CG2 3.39Å; Y247-V283 PolarHBondContact O-N 2.88Å; Y247-G284 WeakPolarHBondContact CB-O 3.23Å; Y247-G284 PolarHBondContact N-O 2.97Å; Y247-I289 HydrophobicContact CD1-CD1 3.57Å; Y247-I289 HydrophobicContact CD2-CD1 3.59Å; Y247-I289 HydrophobicContact CE1-CD1 4.1Å; Y247-I289 HydrophobicContact CE2-CD1 4.12Å; Y247-I289 HydrophobicContact CG-CD1 3.27Å; Y247-I289 HydrophobicContact CG-CG1 4.34Å
248A96.8Very high94.7Very high0 Ų050.2 Ų50.20%026%0.255CS..EExtended strand (participates in β ladder)trans-133.9154.5-179.100000111.6F183 F239 I244 A281F183-A248 HydrophobicContact CD1-CB 4.41Å; F183-A248 HydrophobicContact CE1-CB 4.42Å; F239-A248 HydrophobicContact CE1-CB 4.13Å; F239-A248 HydrophobicContact CE2-CB 3.84Å; F239-A248 HydrophobicContact CZ-CB 3.61Å; F239-A248 PolarHBondContact N-O 2.96Å; F239-A248 VanDerWaalsContact N-O 3.07Å; F239-A248 PolarHBondContact O-N 3.23Å; I244-A248 HydrophobicContact CD1-CB 4.38Å; A248-A281 CarbonylContact C-O 3.6Å; A248-A281 WeakPolarHBondContact CA-O 3.14Å; A248-A281 WeakPolarHBondContact CB-O 3.44Å
249L95.8Very high94.9Very high53 Ų5346.5 Ų46.528%0.27724%0.235SC..EExtended strand (participates in β ladder)trans-133.2156176.456.388.1000110.5A237 F251 Y280 A281 V283A237-L249 WeakPolarHBondContact O-CB 3.43Å; L249-F251 PolarHBondContact O-N 3.42Å; L249-Y280 CarbonylContact O-C 3.57Å; L249-Y280 VanDerWaalsContact O-CA 3.3Å; L249-Y280 WeakPolarHBondContact O-CA 3.46Å; L249-A281 HydrophobicContact CD1-CB 4.47Å; L249-A281 PolarHBondContact N-O 3Å; L249-A281 PolarHBondContact O-N 3.09Å; L249-V283 HydrophobicContact CD2-CG1 3.5Å; L249-V283 HydrophobicContact CD2-CG2 4.4Å; L249-V283 HydrophobicContact CG-CG1 3.96Å
250P95.7Very high95Very high49 Ų4950.8 Ų50.832%0.31825%0.254SS..EExtended strand (participates in β ladder)trans-55.8129.2173.9-2534.7000111.3A237 M252 Y280A237-P250 VanDerWaalsContact O-CD 3.29Å; A237-P250 WeakPolarHBondContact O-CD 3.16Å; P250-M252 PolarHBondContact O-N 3.16Å; P250-Y280 HydrophobicContact CG-CE1 4.42Å
251F93.5Very high95.1Very high50 Ų5047.1 Ų47.122%0.21924%0.24CC..  trans-70.5119.3176.7-178.1-108.4000110L184 L249 D255 A279 A281L184-F251 HydrophobicContact CD2-CE2 4.22Å; L249-F251 PolarHBondContact O-N 3.42Å; F251-D255 HydrophobicContact CD1-CB 4.04Å; F251-D255 HydrophobicContact CE1-CB 3.96Å; F251-D255 VanDerWaalsContact CE1-OD2 3.3Å; F251-D255 WeakPolarHBondContact CE1-OD2 3.17Å; F251-A279 HydrophobicContact CB-CB 3.93Å; F251-A279 HydrophobicContact CD1-CB 4.49Å; F251-A279 PolarHBondContact N-O 2.97Å; F251-A281 HydrophobicContact CD2-CB 4.24Å
252M86.2Confident95.2Very high140 Ų14047.1 Ų47.169%0.6924%0.24SC*.  trans-94.17.2-175.3-58.5-170.670.900113.7F207 P250F207-M252 HydrophobicContact CE1-CE 3.48Å; F207-M252 VanDerWaalsContact CE1-CE 3.48Å; F207-M252 HydrophobicContact CE1-SD 4.34Å; F207-M252 HydrophobicContact CZ-CB 4.41Å; F207-M252 HydrophobicContact CZ-CE 3.61Å; F207-M252 HydrophobicContact CZ-SD 4Å; P250-M252 PolarHBondContact O-N 3.16Å
253G89.6Confident95.4Very high32 Ų3241.7 Ų41.733%0.3321%0.21SC..SBendtrans-81-160.1177.700000113.6P256G253-P256 WeakPolarHBondContact O-CD 3.4Å
254S94.3Very high95.7Very high2 Ų240 Ų401%0.01420%0.201CC..SBendtrans-80.7-22.3-171.572.80000115.3G128 D158 S159 P256 S257 V258G128-S254 WeakPolarHBondContact O-CB 3.28Å; D158-S254 PolarHBondContact O-OG 3.07Å; D158-S254 VanDerWaalsContact O-OG 3.06Å; S159-S254 PolarHBondContact OG-OG 2.81Å; S254-P256 VanDerWaalsContact C-CD 3.48Å; S254-P256 VanDerWaalsContact O-N 3.14Å; S254-S257 WeakPolarHBondContact O-CA 3.49Å; S254-S257 WeakPolarHBondContact O-CB 3.21Å; S254-S257 PolarHBondContact O-N 3.15Å; S254-V258 PolarHBondContact O-N 3.24Å
255D97.2Very high95.9Very high2 Ų240.3 Ų40.31%0.01120%0.202CC..Hα-helixtrans-45.3-49.7-175.4-55.9-6.7000114.3A162 F251 S257 V258 V259 Y277A162-D255 HydrophobicContact CB-CB 3.7Å; A162-D255 VanDerWaalsContact CB-OD2 3.25Å; A162-D255 WeakPolarHBondContact CB-OD2 3.26Å; F251-D255 HydrophobicContact CD1-CB 4.04Å; F251-D255 HydrophobicContact CE1-CB 3.96Å; F251-D255 VanDerWaalsContact CE1-OD2 3.3Å; F251-D255 WeakPolarHBondContact CE1-OD2 3.17Å; D255-S257 PolarHBondContact O-N 3Å; D255-V258 PolarHBondContact O-N 3.06Å; D255-V259 WeakPolarHBondContact O-CB 3.3Å; D255-V259 VanDerWaalsContact O-CG2 3.29Å; D255-V259 WeakPolarHBondContact O-CG2 3.13Å; D255-V259 PolarHBondContact O-N 3.08Å; D255-Y277 HydrophobicContact CB-CE1 4.09Å
256P96.4Very high96Very high44 Ų4434.6 Ų34.629%0.28618%0.175SC..Hα-helixtrans-65.3-29.5-176.9-20.935.6000112.7G253 S254 K260 A279G253-P256 WeakPolarHBondContact O-CD 3.4Å; S254-P256 VanDerWaalsContact C-CD 3.48Å; S254-P256 VanDerWaalsContact O-N 3.14Å; P256-K260 WeakPolarHBondContact O-CB 3.47Å; P256-K260 PolarHBondContact O-N 2.98Å; P256-A279 HydrophobicContact CG-CB 4Å
257S96.1Very high96Very high10 Ų1032.7 Ų32.77%0.0717%0.17CC..Hα-helixtrans-73.7-48.2174-179.70000110.9E134 S254 D255 K260 R261E134-S257 PolarHBondContact OE1-OG 3.34Å; S254-S257 WeakPolarHBondContact O-CA 3.49Å; S254-S257 WeakPolarHBondContact O-CB 3.21Å; S254-S257 PolarHBondContact O-N 3.15Å; D255-S257 PolarHBondContact O-N 3Å; S257-K260 PolarHBondContact O-N 3.41Å; S257-R261 WeakPolarHBondContact O-CG 3.44Å; S257-R261 PolarHBondContact O-N 3.35Å
258V98.4Very high95.9Very high0 Ų034.7 Ų34.70%018%0.182CC..Hα-helixtrans-64.2-49.7-177177.50000111.2L133 S159 D163 S254 D255 K260 R261 T262L133-V258 HydrophobicContact CD1-CG2 3.99Å; S159-V258 WeakPolarHBondContact OG-CB 3.13Å; S159-V258 VanDerWaalsContact OG-CG2 3.31Å; S159-V258 WeakPolarHBondContact OG-CG2 3.25Å; D163-V258 HydrophobicContact CB-CG1 4.2Å; D163-V258 WeakPolarHBondContact OD2-CG1 3.48Å; S254-V258 PolarHBondContact O-N 3.24Å; D255-V258 PolarHBondContact O-N 3.06Å; V258-K260 VanDerWaalsContact C-N 3.3Å; V258-K260 PolarHBondContact O-N 2.85Å; V258-R261 WeakPolarHBondContact O-CB 3.1Å; V258-R261 PolarHBondContact O-N 3.16Å; V258-R261 VanDerWaalsContact O-N 3.08Å; V258-T262 PolarHBondContact O-N 3.47Å; V258-T262 PolarHBondContact O-OG1 3.36Å
259V98.4Very high95.8Very high1 Ų140.9 Ų40.91%0.00621%0.211CC..Hα-helixtrans-58.6-43175.7175.40000111D163 V166 D255 R261 T262 Q263 Y277D163-V259 HydrophobicContact CB-CG2 4.19Å; D163-V259 WeakPolarHBondContact OD1-CA 3.42Å; V166-V259 HydrophobicContact CG1-CG1 4.48Å; V166-V259 HydrophobicContact CG2-CG1 4.09Å; V166-V259 HydrophobicContact CG2-CG2 4.4Å; D255-V259 WeakPolarHBondContact O-CB 3.3Å; D255-V259 VanDerWaalsContact O-CG2 3.29Å; D255-V259 WeakPolarHBondContact O-CG2 3.13Å; D255-V259 PolarHBondContact O-N 3.08Å; V259-R261 VanDerWaalsContact C-N 3.29Å; V259-R261 PolarHBondContact O-N 2.84Å; V259-T262 WeakPolarHBondContact O-CB 3.39Å; V259-T262 PolarHBondContact O-N 2.84Å; V259-Q263 HydrophobicContact CG1-CG 4.1Å; V259-Q263 VanDerWaalsContact O-CG 3.3Å; V259-Q263 WeakPolarHBondContact O-CG 3.42Å; V259-Q263 PolarHBondContact O-N 3.08Å; V259-Y277 HydrophobicContact CB-CD1 3.58Å; V259-Y277 HydrophobicContact CB-CE1 3.92Å; V259-Y277 HydrophobicContact CB-CG 4.16Å; V259-Y277 HydrophobicContact CG1-CD1 3.62Å; V259-Y277 HydrophobicContact CG1-CD2 4.35Å; V259-Y277 HydrophobicContact CG1-CE1 4.28Å; V259-Y277 HydrophobicContact CG1-CG 3.65Å; V259-Y277 HydrophobicContact CG2-CD1 3.74Å; V259-Y277 HydrophobicContact CG2-CE1 3.54Å; V259-Y277 HydrophobicContact CG2-CG 4.38Å
260K97.3Very high95.8Very high124 Ų12441.5 Ų41.554%0.53921%0.21SC..Hα-helixtrans-61.6-38.3178-176.2-179-179.7-178.20112.1L225 P256 S257 V258 R264L225-K260 HydrophobicContact CD1-CG 3.75Å; P256-K260 WeakPolarHBondContact O-CB 3.47Å; P256-K260 PolarHBondContact O-N 2.98Å; S257-K260 PolarHBondContact O-N 3.41Å; V258-K260 VanDerWaalsContact C-N 3.3Å; V258-K260 PolarHBondContact O-N 2.85Å; K260-R264 WeakPolarHBondContact O-CB 3.4Å; K260-R264 PolarHBondContact O-N 2.99Å
261R97.6Very high95.8Very high24 Ų2447.6 Ų47.69%0.09124%0.235CC..Hα-helixtrans-67.1-42.6175.4-69.8166.767-144.6-4.6111.1S257 V258 V259 R264 F265S257-R261 WeakPolarHBondContact O-CG 3.44Å; S257-R261 PolarHBondContact O-N 3.35Å; V258-R261 WeakPolarHBondContact O-CB 3.1Å; V258-R261 PolarHBondContact O-N 3.16Å; V258-R261 VanDerWaalsContact O-N 3.08Å; V259-R261 VanDerWaalsContact C-N 3.29Å; V259-R261 PolarHBondContact O-N 2.84Å; R261-R264 PolarHBondContact O-N 3.33Å; R261-F265 PolarHBondContact O-N 3.09Å
262T98.6Very high95.8Very high0 Ų046.6 Ų46.60%024%0.235CC..Hα-helixtrans-57.1-54.2172.4-69.40000111.6D163 I167 V258 V259 R264 F265 L266 S403 A406D163-T262 WeakPolarHBondContact OD1-CB 3.04Å; D163-T262 WeakPolarHBondContact OD1-CG2 3.26Å; D163-T262 PolarHBondContact OD1-OG1 3.21Å; D163-T262 PolarHBondContact OD2-OG1 2.94Å; I167-T262 HydrophobicContact CD1-CG2 3.93Å; V258-T262 PolarHBondContact O-N 3.47Å; V258-T262 PolarHBondContact O-OG1 3.36Å; V259-T262 WeakPolarHBondContact O-CB 3.39Å; V259-T262 PolarHBondContact O-N 2.84Å; T262-R264 PolarHBondContact O-N 2.9Å; T262-F265 PolarHBondContact O-N 3.09Å; T262-F265 VanDerWaalsContact O-N 3.15Å; T262-L266 HydrophobicContact CG2-CD1 3.75Å; T262-L266 HydrophobicContact CG2-CG 4.27Å; T262-L266 VanDerWaalsContact O-CG 3.27Å; T262-L266 WeakPolarHBondContact O-CG 3.37Å; T262-L266 PolarHBondContact O-N 2.97Å; T262-S403 WeakPolarHBondContact CA-OG 3.33Å; T262-S403 PolarHBondContact N-OG 3.02Å; T262-S403 VanDerWaalsContact OG1-CB 3.31Å; T262-S403 WeakPolarHBondContact OG1-CB 3.19Å; T262-S403 PolarHBondContact OG1-OG 3Å; T262-A406 PolarHBondContact OG1-N 3.07Å
263Q98.3Very high96.2Very high4 Ų442.6 Ų42.62%0.01922%0.219CC..Hα-helixtrans-61.1-34.2-178.5-63.9-53.1-57.100112.1L225 V259 A267L225-Q263 HydrophobicContact CD1-CB 4.45Å; V259-Q263 HydrophobicContact CG1-CG 4.1Å; V259-Q263 VanDerWaalsContact O-CG 3.3Å; V259-Q263 WeakPolarHBondContact O-CG 3.42Å; V259-Q263 PolarHBondContact O-N 3.08Å; Q263-A267 VanDerWaalsContact O-CB 3.3Å; Q263-A267 WeakPolarHBondContact O-CB 3.32Å; Q263-A267 PolarHBondContact O-N 3.41Å; Q263-A267 VanDerWaalsContact O-N 3.07Å
264R97.4Very high96.4Very high24 Ų2441.6 Ų41.69%0.09121%0.207CC..Hα-helixtrans-63.2-53.3172.5179.1171.9-61.6-762.2112.4K223 L225 K260 R261 T262 L266 A267 E268K223-R264 PolarHBondContact O-NH1 3.4Å; K223-R264 PolarHBondContact O-NH2 3.06Å; L225-R264 HydrophobicContact CD1-CB 4.3Å; L225-R264 VanDerWaalsContact CD2-CA 3.48Å; L225-R264 HydrophobicContact CD2-CB 3.73Å; L225-R264 HydrophobicContact CD2-CG 4.12Å; L225-R264 HydrophobicContact CG-CB 4.39Å; K260-R264 WeakPolarHBondContact O-CB 3.4Å; K260-R264 PolarHBondContact O-N 2.99Å; R261-R264 PolarHBondContact O-N 3.33Å; T262-R264 PolarHBondContact O-N 2.9Å; R264-L266 VanDerWaalsContact C-N 3.29Å; R264-L266 PolarHBondContact O-N 3.38Å; R264-A267 PolarHBondContact O-N 2.83Å; R264-A267 VanDerWaalsContact O-N 3.16Å; R264-E268 WeakPolarHBondContact CD-OE1 3.43Å; R264-E268 HydrophobicContact CG-CG 4.25Å; R264-E268 WeakPolarHBondContact CG-OE1 3.48Å; R264-E268 WeakPolarHBondContact CG-OE2 3.37Å; R264-E268 IonicContact CZ-OE1 3.34Å; R264-E268 IonicContact NH1-OE1 3.07Å; R264-E268 PolarHBondContact NH1-OE1 3.02Å; R264-E268 WeakPolarHBondContact O-CB 3.22Å; R264-E268 WeakPolarHBondContact O-CG 3.46Å; R264-E268 PolarHBondContact O-N 3.01Å
265F97.5Very high96.6Very high30 Ų3041.9 Ų41.913%0.13221%0.208CC..Hα-helixtrans-55.7-46.8179.6171.8-95.8000111.2R261 T262 A267 E268 E269 Y270 P396 Y402 A406R261-F265 PolarHBondContact O-N 3.09Å; T262-F265 PolarHBondContact O-N 3.09Å; T262-F265 VanDerWaalsContact O-N 3.15Å; F265-A267 VanDerWaalsContact C-N 3.32Å; F265-A267 PolarHBondContact O-N 3.35Å; F265-E268 PolarHBondContact O-N 3.24Å; F265-E269 HydrophobicContact CD2-CB 4.38Å; F265-E269 HydrophobicContact CD2-CG 3.72Å; F265-E269 HydrophobicContact CE2-CB 4.05Å; F265-E269 HydrophobicContact CE2-CG 3.5Å; F265-E269 VanDerWaalsContact CE2-CG 3.5Å; F265-E269 HydrophobicContact CG-CG 4.47Å; F265-E269 HydrophobicContact CZ-CB 4.14Å; F265-E269 HydrophobicContact CZ-CG 4.09Å; F265-E269 VanDerWaalsContact O-CB 3.3Å; F265-E269 WeakPolarHBondContact O-CB 3.15Å; F265-E269 PolarHBondContact O-N 3.06Å; F265-Y270 HydrophobicContact CE1-CD2 4.35Å; F265-Y270 AromaticContact CE1-CE2 3.66Å; F265-Y270 HydrophobicContact CE1-CE2 3.66Å; F265-Y270 AromaticContact CE1-CZ 3.94Å; F265-Y270 HydrophobicContact CZ-CE2 4.35Å; F265-P396 HydrophobicContact CE1-CG 4.32Å; F265-P396 HydrophobicContact CE2-CB 4.47Å; F265-P396 HydrophobicContact CZ-CB 3.9Å; F265-P396 HydrophobicContact CZ-CG 3.78Å; F265-Y402 HydrophobicContact CD2-CD1 4.21Å; F265-Y402 AromaticContact CD2-CE1 3.92Å; F265-Y402 HydrophobicContact CD2-CE1 3.92Å; F265-Y402 HydrophobicContact CE2-CD1 4.04Å; F265-Y402 AromaticContact CE2-CE1 3.44Å; F265-Y402 HydrophobicContact CE2-CE1 3.44Å; F265-Y402 VanDerWaalsContact CE2-CE1 3.44Å; F265-Y402 HydrophobicContact CZ-CD1 4.46Å; F265-Y402 HydrophobicContact CZ-CE1 4.03Å; F265-A406 HydrophobicContact CB-CB 3.9Å; F265-A406 HydrophobicContact CD1-CB 3.46Å; F265-A406 VanDerWaalsContact CD1-CB 3.46Å; F265-A406 HydrophobicContact CD2-CB 4.47Å; F265-A406 HydrophobicContact CE1-CB 4.09Å; F265-A406 VanDerWaalsContact CE1-O 3.28Å; F265-A406 WeakPolarHBondContact CE1-O 3.5Å; F265-A406 HydrophobicContact CG-CB 3.68Å
266L97.6Very high96.6Very high4 Ų443.2 Ų43.22%0.02121%0.214CC..Hα-helixtrans-63.7-36.9179.6-62.7172.7000112.8I167 R170 T262 R264 Y270 Q271 A272 A409I167-L266 HydrophobicContact CD1-CD1 3.6Å; R170-L266 VanDerWaalsContact NH1-CD1 3.29Å; T262-L266 HydrophobicContact CG2-CD1 3.75Å; T262-L266 HydrophobicContact CG2-CG 4.27Å; T262-L266 VanDerWaalsContact O-CG 3.27Å; T262-L266 WeakPolarHBondContact O-CG 3.37Å; T262-L266 PolarHBondContact O-N 2.97Å; R264-L266 VanDerWaalsContact C-N 3.29Å; R264-L266 PolarHBondContact O-N 3.38Å; L266-Y270 HydrophobicContact CD2-CD2 3.55Å; L266-Y270 HydrophobicContact CD2-CE2 3.93Å; L266-Y270 CarbonylContact O-C 3.59Å; L266-Y270 VanDerWaalsContact O-C 3.31Å; L266-Y270 VanDerWaalsContact O-CA 3.32Å; L266-Y270 WeakPolarHBondContact O-CA 3.43Å; L266-Y270 WeakPolarHBondContact O-CB 3.22Å; L266-Y270 PolarHBondContact O-N 2.7Å; L266-Q271 PolarHBondContact O-N 2.77Å; L266-Q271 VanDerWaalsContact O-N 3.13Å; L266-A272 HydrophobicContact CB-CB 4.03Å; L266-A272 PolarHBondContact O-N 3.24Å; L266-A409 HydrophobicContact CD2-CB 4.22Å
267A96.4Very high96.7Very high22 Ų2241.8 Ų41.818%0.18220%0.203CC..Hα-helixtrans-70.7-40.8177.600000112.5Q263 R264 F265 Q271 A272 P274Q263-A267 VanDerWaalsContact O-CB 3.3Å; Q263-A267 WeakPolarHBondContact O-CB 3.32Å; Q263-A267 PolarHBondContact O-N 3.41Å; Q263-A267 VanDerWaalsContact O-N 3.07Å; R264-A267 PolarHBondContact O-N 2.83Å; R264-A267 VanDerWaalsContact O-N 3.16Å; F265-A267 VanDerWaalsContact C-N 3.32Å; F265-A267 PolarHBondContact O-N 3.35Å; A267-Q271 VanDerWaalsContact O-CA 3.31Å; A267-Q271 WeakPolarHBondContact O-CA 3.3Å; A267-Q271 PolarHBondContact O-N 3.43Å; A267-A272 WeakPolarHBondContact CA-O 3.41Å; A267-P274 HydrophobicContact CB-CG 3.84Å
268E95.1Very high96.7Very high114 Ų11441.3 Ų41.353%0.53320%0.2SC..Hα-helixtrans-78.7-42.9-176.7-70170.6-176.400111.7R264 F265R264-E268 WeakPolarHBondContact CD-OE1 3.43Å; R264-E268 HydrophobicContact CG-CG 4.25Å; R264-E268 WeakPolarHBondContact CG-OE1 3.48Å; R264-E268 WeakPolarHBondContact CG-OE2 3.37Å; R264-E268 IonicContact CZ-OE1 3.34Å; R264-E268 IonicContact NH1-OE1 3.07Å; R264-E268 PolarHBondContact NH1-OE1 3.02Å; R264-E268 WeakPolarHBondContact O-CB 3.22Å; R264-E268 WeakPolarHBondContact O-CG 3.46Å; R264-E268 PolarHBondContact O-N 3.01Å; F265-E268 PolarHBondContact O-N 3.24Å
269E95.3Very high96.7Very high129 Ų12941.6 Ų41.660%0.60320%0.202SC*.Hα-helixtrans-94.1-33-173.8-65.6-66.3149.100113.8F265F265-E269 HydrophobicContact CD2-CB 4.38Å; F265-E269 HydrophobicContact CD2-CG 3.72Å; F265-E269 HydrophobicContact CE2-CB 4.05Å; F265-E269 HydrophobicContact CE2-CG 3.5Å; F265-E269 VanDerWaalsContact CE2-CG 3.5Å; F265-E269 HydrophobicContact CG-CG 4.47Å; F265-E269 HydrophobicContact CZ-CB 4.14Å; F265-E269 HydrophobicContact CZ-CG 4.09Å; F265-E269 VanDerWaalsContact O-CB 3.3Å; F265-E269 WeakPolarHBondContact O-CB 3.15Å; F265-E269 PolarHBondContact O-N 3.06Å
270Y95.2Very high96.6Very high66 Ų6641.7 Ų41.726%0.25920%0.203SC..SBendtrans-114.34.2-177.3-57.9-33.4000113.7F265 L266 A272 K410F265-Y270 HydrophobicContact CE1-CD2 4.35Å; F265-Y270 AromaticContact CE1-CE2 3.66Å; F265-Y270 HydrophobicContact CE1-CE2 3.66Å; F265-Y270 AromaticContact CE1-CZ 3.94Å; F265-Y270 HydrophobicContact CZ-CE2 4.35Å; L266-Y270 HydrophobicContact CD2-CD2 3.55Å; L266-Y270 HydrophobicContact CD2-CE2 3.93Å; L266-Y270 CarbonylContact O-C 3.59Å; L266-Y270 VanDerWaalsContact O-C 3.31Å; L266-Y270 VanDerWaalsContact O-CA 3.32Å; L266-Y270 WeakPolarHBondContact O-CA 3.43Å; L266-Y270 WeakPolarHBondContact O-CB 3.22Å; L266-Y270 PolarHBondContact O-N 2.7Å; Y270-A272 PolarHBondContact O-N 2.86Å; Y270-K410 VanDerWaalsContact CE1-NZ 3.35Å; Y270-K410 HydrophobicContact CE2-CD 4.28Å
271Q94.4Very high96.6Very high178 Ų17836.5 Ų36.583%0.83218%0.183SC*.  trans53.328-178.6-57.3178.8-400112.6L266 A267L266-Q271 PolarHBondContact O-N 2.77Å; L266-Q271 VanDerWaalsContact O-N 3.13Å; A267-Q271 VanDerWaalsContact O-CA 3.31Å; A267-Q271 WeakPolarHBondContact O-CA 3.3Å; A267-Q271 PolarHBondContact O-N 3.43Å
272A94.4Very high96.5Very high29 Ų2936.1 Ų36.124%0.2419%0.187CC..PPolyproline II helixtrans-76.4146.3179.800000110.7L266 A267 Y270 P274L266-A272 HydrophobicContact CB-CB 4.03Å; L266-A272 PolarHBondContact O-N 3.24Å; A267-A272 WeakPolarHBondContact CA-O 3.41Å; Y270-A272 PolarHBondContact O-N 2.86Å; A272-P274 VanDerWaalsContact O-CD 3.3Å; A272-P274 WeakPolarHBondContact O-CD 3.3Å
273T93.8Very high96.3Very high55 Ų5537.3 Ų37.334%0.33719%0.193SC..PPolyproline II helixtrans-62.2119.7171.9-61.10000110.1T176 V228 V275T176-T273 HydrophobicContact CG2-CG2 3.71Å; V228-T273 HydrophobicContact CB-CG2 3.84Å; V228-T273 HydrophobicContact CG1-CG2 3.78Å; V228-T273 HydrophobicContact CG2-CG2 3.99Å; T273-V275 PolarHBondContact O-N 3.33Å
274P95.3Very high96Very high12 Ų1237.8 Ų37.88%0.07820%0.2CC..PPolyproline II helixtrans-66.1133.3177.2-12.323000111.4P226 A267 A272P226-P274 HydrophobicContact CB-CG 4.45Å; A267-P274 HydrophobicContact CB-CG 3.84Å; A272-P274 VanDerWaalsContact O-CD 3.3Å; A272-P274 WeakPolarHBondContact O-CD 3.3Å
275V97.4Very high95.7Very high7 Ų738.6 Ų38.64%0.04222%0.216CC..PPolyproline II helixtrans-89.9125.4172.9-178.40000109.8V166 L177 V180 T273V166-V275 HydrophobicContact CG1-CB 4.16Å; V166-V275 HydrophobicContact CG1-CG1 4.13Å; L177-V275 HydrophobicContact CD2-CG1 4.32Å; L177-V275 HydrophobicContact CD2-CG2 4.23Å; L177-V275 HydrophobicContact CG-CG1 4.33Å; L177-V275 HydrophobicContact CG-CG2 4.29Å; V180-V275 HydrophobicContact CB-CG1 3.98Å; V180-V275 HydrophobicContact CG2-CG1 3.56Å; T273-V275 PolarHBondContact O-N 3.33Å
276Q97.6Very high95.4Very high31 Ų3142.4 Ų42.415%0.14524%0.236CC..EExtended strand (participates in β ladder)trans-70.5130.6171.5-61.9174.177.600109.9T178 A179 V180 T227 V228 S230 L232T178-Q276 WeakPolarHBondContact O-CB 3.39Å; T178-Q276 WeakPolarHBondContact O-CG 3.17Å; T178-Q276 PolarHBondContact O-N 3.18Å; T178-Q276 PolarHBondContact O-NE2 3.35Å; A179-Q276 CarbonylContact C-O 3.59Å; A179-Q276 WeakPolarHBondContact CA-O 3.34Å; A179-Q276 HydrophobicContact CB-CB 4.25Å; V180-Q276 PolarHBondContact N-O 3.03Å; T227-Q276 HydrophobicContact CG2-CG 4.48Å; V228-Q276 PolarHBondContact O-NE2 2.79Å; S230-Q276 PolarHBondContact O-NE2 3.41Å; L232-Q276 HydrophobicContact CB-CB 3.94Å; L232-Q276 HydrophobicContact CD2-CB 4.34Å
277Y97.6Very high94.9Very high13 Ų1344.1 Ų44.15%0.05126%0.255CS..EExtended strand (participates in β ladder)trans-120.7124.7-173.1-178-123.6000114V166 V180 S182 R234 D255 V259 A279 F343V166-Y277 HydrophobicContact CG2-CD2 3.67Å; V166-Y277 HydrophobicContact CG2-CE2 3.7Å; V166-Y277 HydrophobicContact CG2-CG 4.4Å; V180-Y277 HydrophobicContact CB-CD2 4.45Å; V180-Y277 HydrophobicContact CG1-CD2 4.25Å; V180-Y277 HydrophobicContact CG1-CE2 4.45Å; V180-Y277 CarbonylContact O-C 3.36Å; V180-Y277 WeakPolarHBondContact O-CA 3.46Å; S182-Y277 WeakPolarHBondContact OG-CE2 3.21Å; S182-Y277 VanDerWaalsContact OG-CZ 3.29Å; S182-Y277 PolarHBondContact OG-OH 3.14Å; R234-Y277 PolarHBondContact NH1-O 2.72Å; R234-Y277 PolarHBondContact NH2-O 2.67Å; D255-Y277 HydrophobicContact CB-CE1 4.09Å; V259-Y277 HydrophobicContact CB-CD1 3.58Å; V259-Y277 HydrophobicContact CB-CE1 3.92Å; V259-Y277 HydrophobicContact CB-CG 4.16Å; V259-Y277 HydrophobicContact CG1-CD1 3.62Å; V259-Y277 HydrophobicContact CG1-CD2 4.35Å; V259-Y277 HydrophobicContact CG1-CE1 4.28Å; V259-Y277 HydrophobicContact CG1-CG 3.65Å; V259-Y277 HydrophobicContact CG2-CD1 3.74Å; V259-Y277 HydrophobicContact CG2-CE1 3.54Å; V259-Y277 HydrophobicContact CG2-CG 4.38Å; Y277-A279 HydrophobicContact CE1-CB 3.72Å; Y277-F343 HydrophobicContact CE2-CE1 4.25Å
278G97.4Very high94.4Very high0 Ų046.6 Ų46.60%027%0.265CS..EExtended strand (participates in β ladder)trans-110.7124.6169.500000111.2V180 E181 S182V180-G278 PolarHBondContact O-N 2.84Å; E181-G278 CarbonylContact C-O 3.58Å; E181-G278 VanDerWaalsContact CA-O 3.25Å; E181-G278 WeakPolarHBondContact CA-O 3.48Å; S182-G278 PolarHBondContact N-O 3.06Å
279A97.6Very high94.1Very high6 Ų641.8 Ų41.85%0.0524%0.243CC..EExtended strand (participates in β ladder)trans-115.7131.7179.700000110.7F251 P256 Y277F251-A279 HydrophobicContact CB-CB 3.93Å; F251-A279 HydrophobicContact CD1-CB 4.49Å; F251-A279 PolarHBondContact N-O 2.97Å; P256-A279 HydrophobicContact CG-CB 4Å; Y277-A279 HydrophobicContact CE1-CB 3.72Å
280Y97.9Very high93.7Very high4 Ų440 Ų402%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-136.3151.8-177.1-57.4-75.9000110.6E181 S182 F183 L184 R235 F239 L249 P250E181-Y280 HydrophobicContact CB-CD2 4.49Å; E181-Y280 HydrophobicContact CB-CE2 4.31Å; E181-Y280 HydrophobicContact CG-CE2 4.16Å; E181-Y280 VanDerWaalsContact OE1-CE2 3.27Å; E181-Y280 WeakPolarHBondContact OE1-CE2 3.3Å; S182-Y280 WeakPolarHBondContact O-CB 3.4Å; S182-Y280 PolarHBondContact O-N 3.29Å; F183-Y280 CarbonylContact C-O 3.38Å; F183-Y280 WeakPolarHBondContact CA-O 3.37Å; F183-Y280 HydrophobicContact CD1-CG 4.45Å; F183-Y280 HydrophobicContact CE1-CD2 4.02Å; F183-Y280 HydrophobicContact CE1-CG 4.06Å; F183-Y280 HydrophobicContact CE2-CD2 4.5Å; F183-Y280 AromaticContact CZ-CD2 3.98Å; F183-Y280 HydrophobicContact CZ-CD2 3.98Å; F183-Y280 HydrophobicContact CZ-CG 4.47Å; L184-Y280 PolarHBondContact N-O 3.06Å; R235-Y280 HydrophobicContact CB-CE1 3.71Å; R235-Y280 HydrophobicContact CG-CE1 4.21Å; R235-Y280 HydrophobicContact CG-CE2 4.22Å; R235-Y280 PolarHBondContact N-OH 2.78Å; F239-Y280 AromaticContact CE1-CD1 3.59Å; F239-Y280 HydrophobicContact CE1-CD1 3.59Å; F239-Y280 AromaticContact CE1-CE1 3.85Å; F239-Y280 HydrophobicContact CE1-CE1 3.85Å; F239-Y280 HydrophobicContact CE1-CG 4.34Å; F239-Y280 AromaticContact CZ-CD1 3.61Å; F239-Y280 HydrophobicContact CZ-CD1 3.61Å; F239-Y280 HydrophobicContact CZ-CE1 4.07Å; F239-Y280 AromaticContact CZ-CG 3.89Å; F239-Y280 HydrophobicContact CZ-CG 3.89Å; L249-Y280 CarbonylContact O-C 3.57Å; L249-Y280 VanDerWaalsContact O-CA 3.3Å; L249-Y280 WeakPolarHBondContact O-CA 3.46Å; P250-Y280 HydrophobicContact CG-CE1 4.42Å
281A96.6Very high93.2Very high15 Ų1545 Ų4512%0.12426%0.255CS..EExtended strand (participates in β ladder)trans-120.5130.3172.700000109.6L184 A248 L249 F251L184-A281 CarbonylContact O-C 3.55Å; L184-A281 WeakPolarHBondContact O-CA 3.42Å; A248-A281 CarbonylContact C-O 3.6Å; A248-A281 WeakPolarHBondContact CA-O 3.14Å; A248-A281 WeakPolarHBondContact CB-O 3.44Å; L249-A281 HydrophobicContact CD1-CB 4.47Å; L249-A281 PolarHBondContact N-O 3Å; L249-A281 PolarHBondContact O-N 3.09Å; F251-A281 HydrophobicContact CD2-CB 4.24Å
282G95.9Very high92.9Very high16 Ų1639.9 Ų39.917%0.16523%0.233CC..EExtended strand (participates in β ladder)trans-70.7139.4167.600000110.4L184 Y247L184-G282 PolarHBondContact O-N 3.36Å; Y247-G282 WeakPolarHBondContact O-CA 3.33Å
283V93.2Very high92.5Very high24 Ų2444.5 Ų44.515%0.14525%0.251CS..EExtended strand (participates in β ladder)trans-124.311.2179.8-63.90000112.3Y247 L249 N288 I289 L292Y247-V283 WeakPolarHBondContact O-CG2 3.39Å; Y247-V283 PolarHBondContact O-N 2.88Å; L249-V283 HydrophobicContact CD2-CG1 3.5Å; L249-V283 HydrophobicContact CD2-CG2 4.4Å; L249-V283 HydrophobicContact CG-CG1 3.96Å; V283-N288 WeakPolarHBondContact O-CB 3.41Å; V283-N288 PolarHBondContact O-ND2 3.44Å; V283-I289 HydrophobicContact CG2-CG1 4.09Å; V283-L292 HydrophobicContact CB-CD1 3.67Å; V283-L292 HydrophobicContact CG1-CD1 3.56Å; V283-L292 HydrophobicContact CG2-CD1 4.38Å
284G92.3Very high92.2Very high15 Ų1547.9 Ų47.916%0.15526%0.261CS..EExtended strand (participates in β ladder)trans72.8-141.8-177.300000113.7E246 Y247E246-G284 WeakPolarHBondContact OE2-CA 3.25Å; E246-G284 PolarHBondContact OE2-N 3.05Å; Y247-G284 WeakPolarHBondContact CB-O 3.23Å; Y247-G284 PolarHBondContact N-O 2.97Å
285G92.2Very high91.8Very high41 Ų4148.1 Ų48.142%0.42326%0.264SS..SBendtrans-86.7179.6-173.700000115G287 N288 I289G285-G287 VanDerWaalsContact C-N 3.25Å; G285-G287 PolarHBondContact O-N 2.89Å; G285-G287 VanDerWaalsContact O-N 3.16Å; G285-N288 PolarHBondContact O-N 3.3Å; G285-N288 VanDerWaalsContact O-N 3.08Å; G285-I289 PolarHBondContact O-N 2.74Å
286I89.3Confident91.4Very high110 Ų11049.6 Ų49.656%0.56428%0.28SS*.Hα-helixtrans-59.7-31-173.6-155.4162.1000114.1N288 I289 I290I286-N288 VanDerWaalsContact C-N 3.35Å; I286-N288 PolarHBondContact O-N 3.18Å; I286-I289 HydrophobicContact CG1-CD1 4.41Å; I286-I289 WeakPolarHBondContact O-CB 3.41Å; I286-I289 PolarHBondContact O-N 3.08Å; I286-I290 WeakPolarHBondContact O-CG1 3.35Å; I286-I290 PolarHBondContact O-N 3.12Å
287G87.2Confident91.1Very high40 Ų4053.2 Ų53.241%0.41230%0.299SS..Hα-helixtrans-63.6-37.8176.800000113.2G285 R291G285-G287 VanDerWaalsContact C-N 3.25Å; G285-G287 PolarHBondContact O-N 2.89Å; G285-G287 VanDerWaalsContact O-N 3.16Å; G287-R291 PolarHBondContact O-N 2.82Å
288N86.8Confident90.7Very high73 Ų7354.9 Ų54.939%0.3931%0.308SS..Hα-helixtrans-70.4-36.2176.4-74.3-11.7000111.6V283 G285 I286 I290 R291 L292V283-N288 WeakPolarHBondContact O-CB 3.41Å; V283-N288 PolarHBondContact O-ND2 3.44Å; G285-N288 PolarHBondContact O-N 3.3Å; G285-N288 VanDerWaalsContact O-N 3.08Å; I286-N288 VanDerWaalsContact C-N 3.35Å; I286-N288 PolarHBondContact O-N 3.18Å; N288-I290 VanDerWaalsContact C-N 3.34Å; N288-I290 PolarHBondContact O-N 3.06Å; N288-R291 PolarHBondContact O-N 2.87Å; N288-L292 WeakPolarHBondContact O-CB 3.46Å; N288-L292 WeakPolarHBondContact O-CG 3.47Å; N288-L292 PolarHBondContact O-N 2.82Å
289I88.1Confident90.5Very high13 Ų1355.9 Ų55.97%0.06731%0.312CS..Hα-helixtrans-58.7-47.8176.1-59.6167.5000110.3L238 Y247 V283 G285 I286 R291 L292 M293L238-I289 HydrophobicContact CD1-CD1 4.16Å; L238-I289 HydrophobicContact CD1-CG1 4.33Å; L238-I289 HydrophobicContact CD1-CG2 4.41Å; L238-I289 HydrophobicContact CD2-CD1 4.27Å; L238-I289 HydrophobicContact CD2-CG2 3.75Å; Y247-I289 HydrophobicContact CD1-CD1 3.57Å; Y247-I289 HydrophobicContact CD2-CD1 3.59Å; Y247-I289 HydrophobicContact CE1-CD1 4.1Å; Y247-I289 HydrophobicContact CE2-CD1 4.12Å; Y247-I289 HydrophobicContact CG-CD1 3.27Å; Y247-I289 HydrophobicContact CG-CG1 4.34Å; V283-I289 HydrophobicContact CG2-CG1 4.09Å; G285-I289 PolarHBondContact O-N 2.74Å; I286-I289 HydrophobicContact CG1-CD1 4.41Å; I286-I289 WeakPolarHBondContact O-CB 3.41Å; I286-I289 PolarHBondContact O-N 3.08Å; I289-R291 VanDerWaalsContact C-N 3.33Å; I289-R291 PolarHBondContact O-N 3.29Å; I289-L292 PolarHBondContact O-N 2.83Å; I289-M293 HydrophobicContact CG2-CG 4.21Å; I289-M293 HydrophobicContact CG2-SD 3.97Å; I289-M293 WeakPolarHBondContact O-CB 3.49Å; I289-M293 WeakPolarHBondContact O-CG 3.29Å; I289-M293 PolarHBondContact O-N 2.88Å
290I87.2Confident90.2Very high92 Ų9262.6 Ų62.647%0.47234%0.336SS..Hα-helixtrans-58.4-48.2-180-65.6168000109.9I286 N288 L292 M293 F294I286-I290 WeakPolarHBondContact O-CG1 3.35Å; I286-I290 PolarHBondContact O-N 3.12Å; N288-I290 VanDerWaalsContact C-N 3.34Å; N288-I290 PolarHBondContact O-N 3.06Å; I290-L292 PolarHBondContact O-N 3.39Å; I290-M293 PolarHBondContact O-N 2.94Å; I290-F294 HydrophobicContact CG2-CD2 3.87Å; I290-F294 HydrophobicContact CG2-CE2 3.82Å; I290-F294 VanDerWaalsContact O-CD2 3.27Å; I290-F294 WeakPolarHBondContact O-CD2 3.27Å; I290-F294 PolarHBondContact O-N 2.7Å; I290-F294 VanDerWaalsContact O-N 3.1Å
291R86.1Confident89.9Confident172 Ų17266.6 Ų66.665%0.64936%0.357SS*.Hα-helixtrans-58.5-47.2177.1-67.8175.6-176.7170.3-0.6112G287 N288 I289 M293 F294 A295G287-R291 PolarHBondContact O-N 2.82Å; N288-R291 PolarHBondContact O-N 2.87Å; I289-R291 VanDerWaalsContact C-N 3.33Å; I289-R291 PolarHBondContact O-N 3.29Å; R291-M293 PolarHBondContact O-N 2.84Å; R291-F294 PolarHBondContact O-N 3.1Å; R291-A295 WeakPolarHBondContact O-CB 3.44Å; R291-A295 PolarHBondContact O-N 2.81Å
292L86.6Confident89.8Confident69 Ų6966.9 Ų66.936%0.36136%0.357SS..Hα-helixtrans-65.3-36.4179.2-74.2172.7000112.6V283 N288 I289 I290 G296V283-L292 HydrophobicContact CB-CD1 3.67Å; V283-L292 HydrophobicContact CG1-CD1 3.56Å; V283-L292 HydrophobicContact CG2-CD1 4.38Å; N288-L292 WeakPolarHBondContact O-CB 3.46Å; N288-L292 WeakPolarHBondContact O-CG 3.47Å; N288-L292 PolarHBondContact O-N 2.82Å; I289-L292 PolarHBondContact O-N 2.83Å; I290-L292 PolarHBondContact O-N 3.39Å; L292-G296 WeakPolarHBondContact O-CA 3.31Å; L292-G296 PolarHBondContact O-N 2.97Å
293M87.4Confident89.7Confident126 Ų12666.5 Ų66.562%0.62135%0.351SS*.Hα-helixtrans-65-45.1176-75.5-176.768.900111.5I289 I290 R291 M297I289-M293 HydrophobicContact CG2-CG 4.21Å; I289-M293 HydrophobicContact CG2-SD 3.97Å; I289-M293 WeakPolarHBondContact O-CB 3.49Å; I289-M293 WeakPolarHBondContact O-CG 3.29Å; I289-M293 PolarHBondContact O-N 2.88Å; I290-M293 PolarHBondContact O-N 2.94Å; R291-M293 PolarHBondContact O-N 2.84Å; M293-M297 VanDerWaalsContact O-CB 3.26Å; M293-M297 WeakPolarHBondContact O-CB 3.49Å; M293-M297 PolarHBondContact O-N 3.34Å
294F87.1Confident89.6Confident127 Ų12770.6 Ų70.656%0.55737%0.367SS*.Hα-helixtrans-63.2-47.9175.6-84.1-75.2000111.8I290 R291 M297 M298I290-F294 HydrophobicContact CG2-CD2 3.87Å; I290-F294 HydrophobicContact CG2-CE2 3.82Å; I290-F294 VanDerWaalsContact O-CD2 3.27Å; I290-F294 WeakPolarHBondContact O-CD2 3.27Å; I290-F294 PolarHBondContact O-N 2.7Å; I290-F294 VanDerWaalsContact O-N 3.1Å; R291-F294 PolarHBondContact O-N 3.1Å; F294-M297 HydrophobicContact CD1-CE 4.28Å; F294-M297 PolarHBondContact O-N 2.91Å; F294-M298 WeakPolarHBondContact O-CB 3.35Å; F294-M298 PolarHBondContact O-N 3.45Å; F294-M298 VanDerWaalsContact O-N 3.1Å
295A87.1Confident89.6Confident17 Ų1775.1 Ų75.114%0.1438%0.382CS..Hα-helixtrans-60.1-47.1176.700000111.9R291 M298 F299 F321R291-A295 WeakPolarHBondContact O-CB 3.44Å; R291-A295 PolarHBondContact O-N 2.81Å; A295-M298 PolarHBondContact O-N 2.91Å; A295-F299 VanDerWaalsContact O-CB 3.29Å; A295-F299 WeakPolarHBondContact O-CB 3.09Å; A295-F299 PolarHBondContact O-N 2.95Å; A295-F321 HydrophobicContact CB-CD2 3.88Å; A295-F321 HydrophobicContact CB-CE2 3.68Å
296G88.8Confident89.7Confident37 Ų3774.8 Ų74.838%0.38138%0.379SS..Hα-helixtrans-65.8-39.4-179.100000113.1L292 F299 W300L292-G296 WeakPolarHBondContact O-CA 3.31Å; L292-G296 PolarHBondContact O-N 2.97Å; G296-F299 PolarHBondContact O-N 3.14Å; G296-W300 VanDerWaalsContact O-CB 3.25Å; G296-W300 WeakPolarHBondContact O-CB 3.49Å; G296-W300 PolarHBondContact O-N 3.23Å
297M90.1Very high90Very high108 Ų10877.6 Ų77.653%0.53238%0.383SS..Hα-helixtrans-63.8-47.7174.7-179.1177.865.400111.2M293 F294 F299 W300 L301M293-M297 VanDerWaalsContact O-CB 3.26Å; M293-M297 WeakPolarHBondContact O-CB 3.49Å; M293-M297 PolarHBondContact O-N 3.34Å; F294-M297 HydrophobicContact CD1-CE 4.28Å; F294-M297 PolarHBondContact O-N 2.91Å; M297-F299 PolarHBondContact O-N 3.01Å; M297-W300 PolarHBondContact O-N 3.25Å; M297-L301 HydrophobicContact CG-CD1 4.27Å; M297-L301 WeakPolarHBondContact O-CG 3.47Å; M297-L301 PolarHBondContact O-N 2.78Å
298M89.9Confident90.4Very high48 Ų4875.7 Ų75.724%0.23636%0.363CS..Hα-helixtrans-61.1-45.4177.3-179.5173.256.600111.4F294 A295 L301 L302 F319 F321F294-M298 WeakPolarHBondContact O-CB 3.35Å; F294-M298 PolarHBondContact O-N 3.45Å; F294-M298 VanDerWaalsContact O-N 3.1Å; A295-M298 PolarHBondContact O-N 2.91Å; M298-L301 PolarHBondContact O-N 3.24Å; M298-L302 HydrophobicContact CG-CD1 3.9Å; M298-L302 WeakPolarHBondContact O-CB 3.4Å; M298-L302 WeakPolarHBondContact O-CG 3.04Å; M298-L302 PolarHBondContact O-N 3.5Å; M298-L302 VanDerWaalsContact O-N 3.09Å; M298-F319 HydrophobicContact CE-CB 4.32Å; M298-F319 HydrophobicContact CE-CD1 3.49Å; M298-F319 VanDerWaalsContact CE-CD1 3.49Å; M298-F319 HydrophobicContact CE-CE1 4.18Å; M298-F319 HydrophobicContact CE-CG 4.32Å; M298-F319 HydrophobicContact CG-CD1 3.83Å; M298-F319 HydrophobicContact CG-CE1 3.95Å; M298-F319 HydrophobicContact SD-CD1 3.37Å; M298-F319 WeakPolarHBondContact SD-CD1 3.34Å; M298-F319 HydrophobicContact SD-CE1 3.44Å; M298-F319 WeakPolarHBondContact SD-CE1 3.31Å; M298-F321 HydrophobicContact CE-CE2 4.2Å
299F92.6Very high90.8Very high21 Ų2175.9 Ų75.99%0.09236%0.359CS..Hα-helixtrans-58.1-50.2174.9-179.6-90.4000111.8W200 I204 F207 A295 G296 M297 L301 L302 V303 L312W200-F299 HydrophobicContact CE3-CE2 4.5Å; W200-F299 AromaticContact CH2-CD2 3.4Å; W200-F299 HydrophobicContact CH2-CD2 3.4Å; W200-F299 AromaticContact CH2-CE2 3.8Å; W200-F299 HydrophobicContact CH2-CE2 3.8Å; W200-F299 HydrophobicContact CH2-CG 4.42Å; W200-F299 AromaticContact CZ2-CD2 3.75Å; W200-F299 HydrophobicContact CZ2-CD2 3.75Å; W200-F299 HydrophobicContact CZ2-CE2 4.04Å; W200-F299 HydrophobicContact CZ3-CD2 4.01Å; W200-F299 HydrophobicContact CZ3-CE2 4.04Å; I204-F299 HydrophobicContact CG1-CE2 3.59Å; I204-F299 HydrophobicContact CG1-CZ 4.08Å; F207-F299 HydrophobicContact CB-CE1 4.09Å; F207-F299 HydrophobicContact CB-CZ 4.49Å; F207-F299 HydrophobicContact CD1-CE1 4.45Å; F207-F299 AromaticContact CD2-CE1 3.73Å; F207-F299 HydrophobicContact CD2-CE1 3.73Å; F207-F299 HydrophobicContact CD2-CZ 4.03Å; F207-F299 HydrophobicContact CE2-CE1 4.26Å; F207-F299 AromaticContact CG-CE1 3.84Å; F207-F299 HydrophobicContact CG-CE1 3.84Å; F207-F299 HydrophobicContact CG-CZ 4.43Å; A295-F299 VanDerWaalsContact O-CB 3.29Å; A295-F299 WeakPolarHBondContact O-CB 3.09Å; A295-F299 PolarHBondContact O-N 2.95Å; G296-F299 PolarHBondContact O-N 3.14Å; M297-F299 PolarHBondContact O-N 3.01Å; F299-L301 VanDerWaalsContact C-N 3.31Å; F299-L301 PolarHBondContact O-N 2.66Å; F299-L302 PolarHBondContact O-N 3.01Å; F299-V303 HydrophobicContact CE1-CB 4.28Å; F299-V303 HydrophobicContact CE1-CG1 4.39Å; F299-V303 HydrophobicContact CE1-CG2 4.28Å; F299-V303 HydrophobicContact CZ-CG2 4.24Å; F299-V303 VanDerWaalsContact O-CB 3.29Å; F299-V303 WeakPolarHBondContact O-CB 3.25Å; F299-V303 WeakPolarHBondContact O-CG1 3.38Å; F299-V303 PolarHBondContact O-N 3.16Å; F299-L312 HydrophobicContact CD2-CD1 3.98Å; F299-L312 HydrophobicContact CD2-CD2 4.27Å; F299-L312 HydrophobicContact CE2-CD1 4.23Å
300W91.2Very high91.2Very high146 Ų14680.3 Ų80.355%0.55338%0.382SS*.Hα-helixtrans-63.2-33.8-177.8-178.484.3000113.4G296 M297G296-W300 VanDerWaalsContact O-CB 3.25Å; G296-W300 WeakPolarHBondContact O-CB 3.49Å; G296-W300 PolarHBondContact O-N 3.23Å; M297-W300 PolarHBondContact O-N 3.25Å
301L92.7Very high91.6Very high89 Ų8978.7 Ų78.747%0.46637%0.374SS..Hα-helixtrans-70.5-46.4174.7-71.2171.8000111.6M297 M298 F299 F305M297-L301 HydrophobicContact CG-CD1 4.27Å; M297-L301 WeakPolarHBondContact O-CG 3.47Å; M297-L301 PolarHBondContact O-N 2.78Å; M298-L301 PolarHBondContact O-N 3.24Å; F299-L301 VanDerWaalsContact C-N 3.31Å; F299-L301 PolarHBondContact O-N 2.66Å; L301-F305 WeakPolarHBondContact O-CD2 3.32Å; L301-F305 WeakPolarHBondContact O-CE2 3.43Å
302L94.4Very high92Very high21 Ų2170.5 Ų70.511%0.1134%0.343CS..Hα-helixtrans-75.6-35.5-174.2-68.9173.8000113.2M298 F299 K304 F305 W307 G308 R309 L311 L312 F319M298-L302 HydrophobicContact CG-CD1 3.9Å; M298-L302 WeakPolarHBondContact O-CB 3.4Å; M298-L302 WeakPolarHBondContact O-CG 3.04Å; M298-L302 PolarHBondContact O-N 3.5Å; M298-L302 VanDerWaalsContact O-N 3.09Å; F299-L302 PolarHBondContact O-N 3.01Å; L302-K304 PolarHBondContact O-N 2.98Å; L302-K304 VanDerWaalsContact O-N 3.1Å; L302-F305 PolarHBondContact O-N 3.23Å; L302-F305 VanDerWaalsContact O-N 3.15Å; L302-W307 HydrophobicContact CD2-CH2 3.81Å; L302-W307 HydrophobicContact CD2-CZ3 3.78Å; L302-G308 CarbonylContact O-C 3.4Å; L302-G308 WeakPolarHBondContact O-CA 3.45Å; L302-R309 PolarHBondContact O-N 2.88Å; L302-L311 HydrophobicContact CD1-CD2 4.42Å; L302-L312 HydrophobicContact CB-CD1 3.81Å; L302-L312 HydrophobicContact CB-CD2 4.19Å; L302-L312 HydrophobicContact CB-CG 3.92Å; L302-L312 HydrophobicContact CD1-CD2 3.8Å; L302-L312 HydrophobicContact CD1-CG 4.17Å; L302-F319 HydrophobicContact CD1-CD1 3.77Å; L302-F319 HydrophobicContact CD1-CE1 3.37Å; L302-F319 HydrophobicContact CD1-CZ 4.08Å
303V94Very high92.4Very high7 Ų768.7 Ų68.74%0.04233%0.334CS..THydrogen-bonded Turntrans-62.6-22.4-174.975.50000113.2I204 F207 A208 F299 F305 R309 L312I204-V303 HydrophobicContact CG2-CG2 4.13Å; I204-V303 WeakPolarHBondContact O-CG2 3.45Å; F207-V303 HydrophobicContact CB-CG2 4.06Å; A208-V303 HydrophobicContact CB-CG2 4.19Å; F299-V303 HydrophobicContact CE1-CB 4.28Å; F299-V303 HydrophobicContact CE1-CG1 4.39Å; F299-V303 HydrophobicContact CE1-CG2 4.28Å; F299-V303 HydrophobicContact CZ-CG2 4.24Å; F299-V303 VanDerWaalsContact O-CB 3.29Å; F299-V303 WeakPolarHBondContact O-CB 3.25Å; F299-V303 WeakPolarHBondContact O-CG1 3.38Å; F299-V303 PolarHBondContact O-N 3.16Å; V303-F305 VanDerWaalsContact C-N 3.32Å; V303-F305 PolarHBondContact O-N 3.37Å; V303-R309 HydrophobicContact CG2-CG 4.35Å; V303-R309 VanDerWaalsContact O-CD 3.3Å; V303-R309 WeakPolarHBondContact O-CD 3.2Å; V303-R309 VanDerWaalsContact O-CG 3.24Å; V303-R309 WeakPolarHBondContact O-CG 3.3Å; V303-L312 HydrophobicContact CB-CD1 4.25Å
304K90.5Very high92.8Very high111 Ų11168.5 Ų68.548%0.48333%0.33SS..THydrogen-bonded Turntrans-72.8-22179.8-65.9178.7-176.8178.50113.9L302L302-K304 PolarHBondContact O-N 2.98Å; L302-K304 VanDerWaalsContact O-N 3.1Å
305F92.9Very high93.2Very high109 Ų10967.6 Ų67.648%0.47832%0.323SS..SBendtrans-113.6143.1-174.1-55.2-78.4000111L301 L302 V303 W307 G308 R309L301-F305 WeakPolarHBondContact O-CD2 3.32Å; L301-F305 WeakPolarHBondContact O-CE2 3.43Å; L302-F305 PolarHBondContact O-N 3.23Å; L302-F305 VanDerWaalsContact O-N 3.15Å; V303-F305 VanDerWaalsContact C-N 3.32Å; V303-F305 PolarHBondContact O-N 3.37Å; F305-W307 HydrophobicContact CB-CG 4.4Å; F305-W307 AromaticContact CG-NE1 3.89Å; F305-W307 PolarHBondContact O-N 2.88Å; F305-G308 PolarHBondContact O-N 3Å; F305-G308 VanDerWaalsContact O-N 3.17Å; F305-R309 WeakPolarHBondContact O-CG 3.39Å; F305-R309 PolarHBondContact O-N 3.5Å
306G93.3Very high93.6Very high35 Ų3567 Ų6736%0.36132%0.318SS..Hα-helixtrans-56.5-46.5177.900000113G308 R309 N310G306-G308 VanDerWaalsContact C-N 3.34Å; G306-G308 PolarHBondContact O-N 2.95Å; G306-R309 PolarHBondContact O-N 3.32Å; G306-N310 PolarHBondContact O-N 2.63Å
307W95.8Very high93.8Very high168 Ų16870.2 Ų70.264%0.63632%0.323SS*.Hα-helixtrans-65.5-36.2177.268.3-96.8000112.5L302 F305 N310 L311L302-W307 HydrophobicContact CD2-CH2 3.81Å; L302-W307 HydrophobicContact CD2-CZ3 3.78Å; F305-W307 HydrophobicContact CB-CG 4.4Å; F305-W307 AromaticContact CG-NE1 3.89Å; F305-W307 PolarHBondContact O-N 2.88Å; W307-N310 PolarHBondContact O-N 2.75Å; W307-L311 PolarHBondContact O-N 3.26Å
308G95.9Very high94Very high0 Ų072 Ų720%033%0.328CS..Hα-helixtrans-68.1-42.8177.500000111.8L302 F305 G306 N310 L311 L312L302-G308 CarbonylContact O-C 3.4Å; L302-G308 WeakPolarHBondContact O-CA 3.45Å; F305-G308 PolarHBondContact O-N 3Å; F305-G308 VanDerWaalsContact O-N 3.17Å; G306-G308 VanDerWaalsContact C-N 3.34Å; G306-G308 PolarHBondContact O-N 2.95Å; G308-N310 VanDerWaalsContact C-N 3.34Å; G308-N310 PolarHBondContact O-N 3.07Å; G308-L311 WeakPolarHBondContact O-CB 3.1Å; G308-L311 PolarHBondContact O-N 3.09Å; G308-L311 VanDerWaalsContact O-N 3.14Å; G308-L312 WeakPolarHBondContact O-CG 3.27Å; G308-L312 PolarHBondContact O-N 3.39Å
309R95.5Very high94.1Very high77 Ų7770.4 Ų70.429%0.29132%0.32SS..Hα-helixtrans-58-45.3170.8-68.8-174.1-69176.1-1111.8I204 L302 V303 F305 G306 L311 L312 I313I204-R309 HydrophobicContact CG2-CB 3.98Å; I204-R309 HydrophobicContact CG2-CG 3.75Å; L302-R309 PolarHBondContact O-N 2.88Å; V303-R309 HydrophobicContact CG2-CG 4.35Å; V303-R309 VanDerWaalsContact O-CD 3.3Å; V303-R309 WeakPolarHBondContact O-CD 3.2Å; V303-R309 VanDerWaalsContact O-CG 3.24Å; V303-R309 WeakPolarHBondContact O-CG 3.3Å; F305-R309 WeakPolarHBondContact O-CG 3.39Å; F305-R309 PolarHBondContact O-N 3.5Å; G306-R309 PolarHBondContact O-N 3.32Å; R309-L311 PolarHBondContact O-N 3.3Å; R309-L312 PolarHBondContact O-N 3.01Å; R309-I313 VanDerWaalsContact O-CG1 3.25Å; R309-I313 WeakPolarHBondContact O-CG1 3.48Å; R309-I313 PolarHBondContact O-N 3.09Å
310N95.5Very high94Very high106 Ų10670 Ų7057%0.56732%0.32SS*.Hα-helixtrans-59.4-37.3176.3-70.8-15.6000112.1G306 W307 G308 K314G306-N310 PolarHBondContact O-N 2.63Å; W307-N310 PolarHBondContact O-N 2.75Å; G308-N310 VanDerWaalsContact C-N 3.34Å; G308-N310 PolarHBondContact O-N 3.07Å; N310-K314 VanDerWaalsContact O-CB 3.22Å; N310-K314 WeakPolarHBondContact O-CB 3.46Å; N310-K314 PolarHBondContact O-N 2.99Å
311L96.1Very high93.9Very high58 Ų5869.6 Ų69.630%0.30432%0.322SS..Hα-helixtrans-67.3-46.4177.1-167.568.7000111.9L302 W307 G308 R309 I313 K314 Y315 F319L302-L311 HydrophobicContact CD1-CD2 4.42Å; W307-L311 PolarHBondContact O-N 3.26Å; G308-L311 WeakPolarHBondContact O-CB 3.1Å; G308-L311 PolarHBondContact O-N 3.09Å; G308-L311 VanDerWaalsContact O-N 3.14Å; R309-L311 PolarHBondContact O-N 3.3Å; L311-I313 VanDerWaalsContact C-N 3.3Å; L311-I313 PolarHBondContact O-N 2.94Å; L311-K314 PolarHBondContact O-N 2.79Å; L311-Y315 HydrophobicContact CD1-CD2 3.68Å; L311-Y315 HydrophobicContact CD1-CE2 3.72Å; L311-Y315 HydrophobicContact CG-CD2 4.39Å; L311-Y315 PolarHBondContact O-N 2.6Å; L311-Y315 VanDerWaalsContact O-N 3.09Å; L311-F319 HydrophobicContact CD1-CE2 4.36Å; L311-F319 HydrophobicContact CD2-CE1 4.29Å; L311-F319 HydrophobicContact CD2-CE2 3.95Å; L311-F319 HydrophobicContact CD2-CZ 3.42Å; L311-F319 VanDerWaalsContact CD2-CZ 3.42Å; L311-F319 HydrophobicContact CG-CE2 3.57Å; L311-F319 HydrophobicContact CG-CZ 3.61Å
312L95.4Very high93.7Very high0 Ų067.3 Ų67.30%032%0.32CS..Hα-helixtrans-58.8-40.5175.7-66.6171.4000111.8W200 I204 F299 L302 V303 G308 R309 F319W200-L312 HydrophobicContact CZ2-CD2 4.04Å; W200-L312 PolarHBondContact NE1-O 3.44Å; I204-L312 HydrophobicContact CD1-CB 3.52Å; I204-L312 HydrophobicContact CD1-CD1 4.38Å; I204-L312 HydrophobicContact CG1-CB 4.25Å; I204-L312 HydrophobicContact CG1-CD1 4.22Å; F299-L312 HydrophobicContact CD2-CD1 3.98Å; F299-L312 HydrophobicContact CD2-CD2 4.27Å; F299-L312 HydrophobicContact CE2-CD1 4.23Å; L302-L312 HydrophobicContact CB-CD1 3.81Å; L302-L312 HydrophobicContact CB-CD2 4.19Å; L302-L312 HydrophobicContact CB-CG 3.92Å; L302-L312 HydrophobicContact CD1-CD2 3.8Å; L302-L312 HydrophobicContact CD1-CG 4.17Å; V303-L312 HydrophobicContact CB-CD1 4.25Å; G308-L312 WeakPolarHBondContact O-CG 3.27Å; G308-L312 PolarHBondContact O-N 3.39Å; R309-L312 PolarHBondContact O-N 3.01Å; L312-F319 HydrophobicContact CD2-CB 3.74Å; L312-F319 HydrophobicContact CD2-CD1 3.73Å; L312-F319 HydrophobicContact CD2-CD2 4.32Å; L312-F319 HydrophobicContact CD2-CG 3.65Å
313I95Very high93.5Very high31 Ų3170.1 Ų70.116%0.15933%0.333CS..Hα-helixtrans-72-38.9178.3-65.9168.3000111.3Q201 I204 Y205 R309 L311 P316Q201-I313 HydrophobicContact CG-CG1 4.32Å; Q201-I313 HydrophobicContact CG-CG2 4.34Å; I204-I313 HydrophobicContact CD1-CG1 3.68Å; Y205-I313 HydrophobicContact CE2-CD1 3.82Å; Y205-I313 VanDerWaalsContact OH-CD1 3.32Å; Y205-I313 WeakPolarHBondContact OH-CD1 3.37Å; R309-I313 VanDerWaalsContact O-CG1 3.25Å; R309-I313 WeakPolarHBondContact O-CG1 3.48Å; R309-I313 PolarHBondContact O-N 3.09Å; L311-I313 VanDerWaalsContact C-N 3.3Å; L311-I313 PolarHBondContact O-N 2.94Å; I313-P316 WeakPolarHBondContact O-CD 3.34Å
314K95.7Very high93.5Very high123 Ų12371 Ų7154%0.53534%0.337SS..Hα-helixtrans-70-37.2-176.2-171173.3179.5-167.80112N310 L311 P316 K326N310-K314 VanDerWaalsContact O-CB 3.22Å; N310-K314 WeakPolarHBondContact O-CB 3.46Å; N310-K314 PolarHBondContact O-N 2.99Å; L311-K314 PolarHBondContact O-N 2.79Å; K314-P316 VanDerWaalsContact C-CD 3.46Å; K314-P316 WeakPolarHBondContact O-CD 3.47Å; K314-K326 PolarHBondContact O-NZ 2.91Å
315Y95.4Very high93.8Very high108 Ų10866.2 Ų66.242%0.42432%0.317SS..  trans-125.258.9-173.7-53.9-75.5000113.2L311 E317 F318 F319L311-Y315 HydrophobicContact CD1-CD2 3.68Å; L311-Y315 HydrophobicContact CD1-CE2 3.72Å; L311-Y315 HydrophobicContact CG-CD2 4.39Å; L311-Y315 PolarHBondContact O-N 2.6Å; L311-Y315 VanDerWaalsContact O-N 3.09Å; Y315-E317 VanDerWaalsContact C-N 3.31Å; Y315-E317 PolarHBondContact O-N 3.07Å; Y315-F318 PolarHBondContact O-N 2.97Å; Y315-F319 HydrophobicContact CD2-CE2 4.49Å; Y315-F319 VanDerWaalsContact O-CD2 3.31Å; Y315-F319 WeakPolarHBondContact O-CD2 3.34Å; Y315-F319 PolarHBondContact O-N 2.8Å
316P94.3Very high93.8Very high4 Ų466.4 Ų66.43%0.02632%0.318CS..Hα-helixtrans-59.7-40.8-173.925.2-33.9000112.2D197 W200 I313 K314 F318 F319 S320 F324 K326D197-P316 HydrophobicContact CB-CB 4.34Å; D197-P316 HydrophobicContact CB-CG 4.16Å; W200-P316 HydrophobicContact CG-CB 4.36Å; I313-P316 WeakPolarHBondContact O-CD 3.34Å; K314-P316 VanDerWaalsContact C-CD 3.46Å; K314-P316 WeakPolarHBondContact O-CD 3.47Å; P316-F318 VanDerWaalsContact C-N 3.32Å; P316-F318 PolarHBondContact O-N 3.04Å; P316-F319 PolarHBondContact O-N 2.85Å; P316-S320 WeakPolarHBondContact O-CB 3.3Å; P316-S320 PolarHBondContact O-N 2.85Å; P316-S320 PolarHBondContact O-OG 2.99Å; P316-F324 CarbonylContact C-O 3.49Å; P316-F324 HydrophobicContact CB-CB 4.32Å; P316-K326 HydrophobicContact CG-CG 4.04Å
317E93.8Very high93.9Very high105 Ų10568.4 Ų68.449%0.49133%0.331SS..Hα-helixtrans-61.5-40.1-179.1-67.9164-149.700112.1Y315 F321 G322 F324 S325Y315-E317 VanDerWaalsContact C-N 3.31Å; Y315-E317 PolarHBondContact O-N 3.07Å; E317-F321 CarbonylContact O-C 3.59Å; E317-F321 WeakPolarHBondContact O-CA 2.93Å; E317-F321 PolarHBondContact O-N 2.94Å; E317-F321 VanDerWaalsContact O-N 3.1Å; E317-G322 PolarHBondContact O-N 2.8Å; E317-F324 VanDerWaalsContact CA-O 3.26Å; E317-F324 WeakPolarHBondContact CA-O 3.3Å; E317-F324 WeakPolarHBondContact CG-O 3.47Å; E317-F324 PolarHBondContact N-O 3.44Å; E317-S325 WeakPolarHBondContact OE1-CB 3.48Å
318F93.3Very high93.9Very high145 Ų14560.7 Ų60.764%0.63630%0.304SS*.Hα-helixtrans-68.3-51177.8179.7-96000111.4Y315 P316 S320 F321Y315-F318 PolarHBondContact O-N 2.97Å; P316-F318 VanDerWaalsContact C-N 3.32Å; P316-F318 PolarHBondContact O-N 3.04Å; F318-S320 VanDerWaalsContact C-N 3.25Å; F318-S320 PolarHBondContact O-N 3.25Å; F318-F321 PolarHBondContact O-N 2.77Å
319F92.4Very high93.9Very high15 Ų1561.2 Ų61.27%0.06631%0.307CS..Hα-helixtrans-74.4-16-175.2-74.1-77.7000114W200 M298 L302 L311 L312 Y315 P316W200-F319 HydrophobicContact CZ2-CB 4.03Å; M298-F319 HydrophobicContact CE-CB 4.32Å; M298-F319 HydrophobicContact CE-CD1 3.49Å; M298-F319 VanDerWaalsContact CE-CD1 3.49Å; M298-F319 HydrophobicContact CE-CE1 4.18Å; M298-F319 HydrophobicContact CE-CG 4.32Å; M298-F319 HydrophobicContact CG-CD1 3.83Å; M298-F319 HydrophobicContact CG-CE1 3.95Å; M298-F319 HydrophobicContact SD-CD1 3.37Å; M298-F319 WeakPolarHBondContact SD-CD1 3.34Å; M298-F319 HydrophobicContact SD-CE1 3.44Å; M298-F319 WeakPolarHBondContact SD-CE1 3.31Å; L302-F319 HydrophobicContact CD1-CD1 3.77Å; L302-F319 HydrophobicContact CD1-CE1 3.37Å; L302-F319 HydrophobicContact CD1-CZ 4.08Å; L311-F319 HydrophobicContact CD1-CE2 4.36Å; L311-F319 HydrophobicContact CD2-CE1 4.29Å; L311-F319 HydrophobicContact CD2-CE2 3.95Å; L311-F319 HydrophobicContact CD2-CZ 3.42Å; L311-F319 VanDerWaalsContact CD2-CZ 3.42Å; L311-F319 HydrophobicContact CG-CE2 3.57Å; L311-F319 HydrophobicContact CG-CZ 3.61Å; L312-F319 HydrophobicContact CD2-CB 3.74Å; L312-F319 HydrophobicContact CD2-CD1 3.73Å; L312-F319 HydrophobicContact CD2-CD2 4.32Å; L312-F319 HydrophobicContact CD2-CG 3.65Å; Y315-F319 HydrophobicContact CD2-CE2 4.49Å; Y315-F319 VanDerWaalsContact O-CD2 3.31Å; Y315-F319 WeakPolarHBondContact O-CD2 3.34Å; Y315-F319 PolarHBondContact O-N 2.8Å; P316-F319 PolarHBondContact O-N 2.85Å
320S90.1Very high93.9Very high13 Ų1361.1 Ų61.19%0.09132%0.315CS..THydrogen-bonded Turntrans-107.43.7176.669.10000114.6P316 F318 G322 M323 F324P316-S320 WeakPolarHBondContact O-CB 3.3Å; P316-S320 PolarHBondContact O-N 2.85Å; P316-S320 PolarHBondContact O-OG 2.99Å; F318-S320 VanDerWaalsContact C-N 3.25Å; F318-S320 PolarHBondContact O-N 3.25Å; S320-G322 VanDerWaalsContact C-N 3.26Å; S320-G322 PolarHBondContact O-N 2.89Å; S320-M323 WeakPolarHBondContact O-CB 3.23Å; S320-M323 PolarHBondContact O-N 2.7Å; S320-M323 PolarHBondContact OG-N 2.85Å; S320-F324 PolarHBondContact OG-N 3.23Å; S320-F324 PolarHBondContact OG-O 3.3Å
321F89.1Confident93.8Very high137 Ų13761.1 Ų61.160%0.60131%0.307SS*.THydrogen-bonded Turntrans54.342.2-175.2-60-91.2000112.9A295 M298 E317 F318 M323A295-F321 HydrophobicContact CB-CD2 3.88Å; A295-F321 HydrophobicContact CB-CE2 3.68Å; M298-F321 HydrophobicContact CE-CE2 4.2Å; E317-F321 CarbonylContact O-C 3.59Å; E317-F321 WeakPolarHBondContact O-CA 2.93Å; E317-F321 PolarHBondContact O-N 2.94Å; E317-F321 VanDerWaalsContact O-N 3.1Å; F318-F321 PolarHBondContact O-N 2.77Å; F321-M323 VanDerWaalsContact C-N 3.32Å; F321-M323 PolarHBondContact O-N 2.95Å
322G89.1Confident93.8Very high40 Ų4064.2 Ų64.241%0.41232%0.318SS..THydrogen-bonded Turntrans84-4.4177.600000115.3E317 S320 F324E317-G322 PolarHBondContact O-N 2.8Å; S320-G322 VanDerWaalsContact C-N 3.26Å; S320-G322 PolarHBondContact O-N 2.89Å; G322-F324 VanDerWaalsContact C-N 3.34Å; G322-F324 PolarHBondContact O-N 3.43Å
323M90.4Very high93.9Very high81 Ų8166 Ų6640%0.39933%0.326SS..SBendtrans-67.9-33.6-179.7-174.6177.4-70.700112.6C194 I195 S320 F321C194-M323 CarbonylContact C-O 3.52Å; C194-M323 WeakPolarHBondContact CA-O 3.37Å; I195-M323 PolarHBondContact N-O 2.78Å; S320-M323 WeakPolarHBondContact O-CB 3.23Å; S320-M323 PolarHBondContact O-N 2.7Å; S320-M323 PolarHBondContact OG-N 2.85Å; F321-M323 VanDerWaalsContact C-N 3.32Å; F321-M323 PolarHBondContact O-N 2.95Å
324F94.7Very high93.9Very high25 Ų2565 Ų6511%0.1132%0.321CS..EExtended strand (participates in β ladder)trans-117.3132.6176.5-63.7-90.5000111.8I195 T199 W200 P316 E317 S320 G322I195-F324 HydrophobicContact CB-CD1 3.63Å; I195-F324 HydrophobicContact CB-CE1 3.65Å; I195-F324 HydrophobicContact CB-CG 4.49Å; I195-F324 HydrophobicContact CD1-CE1 3.95Å; I195-F324 HydrophobicContact CD1-CZ 4.06Å; I195-F324 HydrophobicContact CG1-CE1 4.39Å; I195-F324 HydrophobicContact CG2-CD1 3.78Å; I195-F324 HydrophobicContact CG2-CE1 3.57Å; I195-F324 CarbonylContact O-C 3.48Å; I195-F324 WeakPolarHBondContact O-CA 3.32Å; T199-F324 HydrophobicContact CG2-CE1 4.01Å; W200-F324 HydrophobicContact CB-CB 4Å; W200-F324 HydrophobicContact CB-CD1 3.69Å; W200-F324 HydrophobicContact CB-CE1 4.28Å; W200-F324 HydrophobicContact CB-CG 3.82Å; W200-F324 HydrophobicContact CD2-CB 4.45Å; W200-F324 HydrophobicContact CD2-CD2 4.11Å; W200-F324 HydrophobicContact CD2-CG 4.22Å; W200-F324 HydrophobicContact CE3-CD1 4.45Å; W200-F324 AromaticContact CE3-CD2 3.41Å; W200-F324 HydrophobicContact CE3-CD2 3.41Å; W200-F324 VanDerWaalsContact CE3-CD2 3.41Å; W200-F324 AromaticContact CE3-CE2 3.55Å; W200-F324 HydrophobicContact CE3-CE2 3.55Å; W200-F324 AromaticContact CE3-CG 3.91Å; W200-F324 HydrophobicContact CE3-CG 3.91Å; W200-F324 HydrophobicContact CE3-CZ 4.13Å; W200-F324 HydrophobicContact CG-CB 4.25Å; W200-F324 HydrophobicContact CG-CG 4.23Å; W200-F324 AromaticContact CZ3-CD2 3.9Å; W200-F324 HydrophobicContact CZ3-CD2 3.9Å; W200-F324 AromaticContact CZ3-CE2 3.9Å; W200-F324 HydrophobicContact CZ3-CE2 3.9Å; P316-F324 CarbonylContact C-O 3.49Å; P316-F324 HydrophobicContact CB-CB 4.32Å; E317-F324 VanDerWaalsContact CA-O 3.26Å; E317-F324 WeakPolarHBondContact CA-O 3.3Å; E317-F324 WeakPolarHBondContact CG-O 3.47Å; E317-F324 PolarHBondContact N-O 3.44Å; S320-F324 PolarHBondContact OG-N 3.23Å; S320-F324 PolarHBondContact OG-O 3.3Å; G322-F324 VanDerWaalsContact C-N 3.34Å; G322-F324 PolarHBondContact O-N 3.43Å
325S95.5Very high93.9Very high11 Ų1166.5 Ų66.58%0.07733%0.33CS..EExtended strand (participates in β ladder)trans-138156.917982.70000112.6C194 I195 H196 D197 E317 A327 G328C194-S325 PolarHBondContact SG-OG 3.41Å; I195-S325 PolarHBondContact O-N 3.18Å; H196-S325 CarbonylContact C-O 3.32Å; H196-S325 WeakPolarHBondContact CA-O 3.21Å; D197-S325 PolarHBondContact N-O 3Å; E317-S325 WeakPolarHBondContact OE1-CB 3.48Å; S325-A327 VanDerWaalsContact C-N 3.27Å; S325-A327 PolarHBondContact OG-N 2.85Å; S325-G328 PolarHBondContact O-N 3.26Å; S325-G328 WeakPolarHBondContact OG-CA 3.49Å; S325-G328 PolarHBondContact OG-N 2.88Å; S325-G328 PolarHBondContact OG-O 2.84Å
326K94.6Very high93.9Very high112 Ų11263 Ų6349%0.48733%0.327SS..SBendtrans-74.1-21.6174.9-65-177.2-177170.60112.9H196 D197 K314 P316H196-K326 PolarHBondContact NE2-O 3.19Å; D197-K326 HydrophobicContact CB-CG 4.28Å; K314-K326 PolarHBondContact O-NZ 2.91Å; P316-K326 HydrophobicContact CG-CG 4.04Å
327A94.3Very high94.1Very high78 Ų7863.4 Ų63.465%0.64533%0.33SS*.SBendtrans-81.1-20.9175.500000112F22 S325F22-A327 WeakPolarHBondContact CE2-O 3.41Å; S325-A327 VanDerWaalsContact C-N 3.27Å; S325-A327 PolarHBondContact OG-N 2.85Å
328G95Very high94.3Very high6 Ų660.7 Ų60.76%0.06232%0.323CS..  trans68.6-173.9-168.800000112.6S325S325-G328 PolarHBondContact O-N 3.26Å; S325-G328 WeakPolarHBondContact OG-CA 3.49Å; S325-G328 PolarHBondContact OG-N 2.88Å; S325-G328 PolarHBondContact OG-O 2.84Å
329P96.1Very high94.5Very high10 Ų1054 Ų547%0.06529%0.293CS..  trans-72.3150.6176.629-34.8000112.7F22 C194 Q333 M334 Y374F22-P329 HydrophobicContact CE1-CG 4.48Å; F22-P329 HydrophobicContact CZ-CG 4.46Å; C194-P329 HydrophobicContact CB-CB 4.03Å; C194-P329 WeakPolarHBondContact O-CB 3.44Å; C194-P329 WeakPolarHBondContact O-CD 3.43Å; C194-P329 WeakPolarHBondContact O-CG 3.12Å; P329-Q333 HydrophobicContact CB-CB 4.24Å; P329-M334 HydrophobicContact CB-CG 3.91Å; P329-M334 HydrophobicContact CG-CG 3.81Å; P329-M334 HydrophobicContact CG-SD 3.94Å; P329-Y374 VanDerWaalsContact CD-CE2 3.45Å; P329-Y374 HydrophobicContact CG-CD2 3.35Å; P329-Y374 HydrophobicContact CG-CE2 3.35Å; P329-Y374 HydrophobicContact CG-CG 4.41Å
330T95.7Very high94.7Very high76 Ų7657.1 Ų57.147%0.46631%0.305SS..  trans-75.5160.7167.866.10000111.4K332 Q333 M334T330-K332 VanDerWaalsContact C-N 3.28Å; T330-K332 PolarHBondContact O-N 2.78Å; T330-Q333 PolarHBondContact O-N 3.47Å; T330-Q333 VanDerWaalsContact OG1-CG 3.32Å; T330-Q333 WeakPolarHBondContact OG1-CG 3.46Å; T330-Q333 PolarHBondContact OG1-N 2.91Å; T330-Q333 PolarHBondContact OG1-OE1 3.02Å; T330-M334 WeakPolarHBondContact O-CG 3.39Å; T330-M334 PolarHBondContact O-N 3.18Å
331R94.6Very high95.1Very high105 Ų10556.6 Ų56.640%0.39630%0.301SS..Hα-helixtrans-53.8-44.2174-69.5-77.8178.1176.72.3112.5E29 Q333 M334 E335E29-R331 IonicContact OE1-CZ 3.99Å; E29-R331 IonicContact OE1-NH1 3Å; E29-R331 IonicContact OE1-NH2 3.93Å; E29-R331 PolarHBondContact OE1-NH2 3.03Å; E29-R331 IonicContact OE2-CZ 2.82Å; E29-R331 IonicContact OE2-NH1 2.66Å; E29-R331 PolarHBondContact OE2-NH1 2.71Å; E29-R331 IonicContact OE2-NH2 3.51Å; E29-R331 PolarHBondContact OE2-NH2 2.87Å; R331-Q333 PolarHBondContact O-N 2.79Å; R331-M334 HydrophobicContact CB-CE 4.48Å; R331-M334 HydrophobicContact CG-CE 4.24Å; R331-M334 PolarHBondContact O-N 3.05Å; R331-M334 VanDerWaalsContact O-N 3.13Å; R331-E335 WeakPolarHBondContact O-CG 3.28Å; R331-E335 PolarHBondContact O-N 3.4Å
332K95.6Very high95.5Very high123 Ų12350.1 Ų50.154%0.53527%0.272SS..Hα-helixtrans-63.8-38.5179.4-161.9-178.3178-167.40112.8E191 T330 G336E191-K332 HydrophobicContact CG-CB 4.46Å; E191-K332 HydrophobicContact CG-CD 3.67Å; E191-K332 HydrophobicContact CG-CG 3.84Å; E191-K332 WeakPolarHBondContact OE1-CE 3.27Å; E191-K332 IonicContact OE1-NZ 2.79Å; E191-K332 PolarHBondContact OE1-NZ 3.37Å; T330-K332 VanDerWaalsContact C-N 3.28Å; T330-K332 PolarHBondContact O-N 2.78Å; K332-G336 PolarHBondContact O-N 3.2Å; K332-G336 VanDerWaalsContact O-N 3.09Å
333Q96.4Very high96Very high37 Ų3748.2 Ų48.217%0.17325%0.253CS..Hα-helixtrans-64.7-41173.1-74.8172.5-4600111.6E191 P329 T330 R331 G336 S337E191-Q333 HydrophobicContact CB-CG 3.67Å; E191-Q333 WeakPolarHBondContact O-CG 3.31Å; E191-Q333 PolarHBondContact O-NE2 3.38Å; P329-Q333 HydrophobicContact CB-CB 4.24Å; T330-Q333 PolarHBondContact O-N 3.47Å; T330-Q333 VanDerWaalsContact OG1-CG 3.32Å; T330-Q333 WeakPolarHBondContact OG1-CG 3.46Å; T330-Q333 PolarHBondContact OG1-N 2.91Å; T330-Q333 PolarHBondContact OG1-OE1 3.02Å; R331-Q333 PolarHBondContact O-N 2.79Å; Q333-G336 PolarHBondContact O-N 3.27Å; Q333-S337 WeakPolarHBondContact O-CB 3.4Å; Q333-S337 PolarHBondContact O-N 2.88Å; Q333-S337 PolarHBondContact O-OG 3.05Å
334M96.6Very high96.3Very high11 Ų1146.3 Ų46.35%0.05424%0.242CC..Hα-helixtrans-66.4-45.4176.6-66.2-178.4-71.800112F26 P329 T330 R331 G336 S337 E371 Y374 V375F26-M334 HydrophobicContact CE1-CE 3.6Å; F26-M334 HydrophobicContact CE1-SD 3.93Å; F26-M334 HydrophobicContact CZ-CE 3.68Å; F26-M334 HydrophobicContact CZ-SD 3.93Å; P329-M334 HydrophobicContact CB-CG 3.91Å; P329-M334 HydrophobicContact CG-CG 3.81Å; P329-M334 HydrophobicContact CG-SD 3.94Å; T330-M334 WeakPolarHBondContact O-CG 3.39Å; T330-M334 PolarHBondContact O-N 3.18Å; R331-M334 HydrophobicContact CB-CE 4.48Å; R331-M334 HydrophobicContact CG-CE 4.24Å; R331-M334 PolarHBondContact O-N 3.05Å; R331-M334 VanDerWaalsContact O-N 3.13Å; M334-G336 VanDerWaalsContact C-N 3.26Å; M334-G336 PolarHBondContact O-N 3.43Å; M334-S337 PolarHBondContact O-N 3.37Å; M334-S337 VanDerWaalsContact O-N 3.11Å; M334-E371 HydrophobicContact CB-CB 4.24Å; M334-E371 HydrophobicContact CB-CG 4.23Å; M334-E371 HydrophobicContact CG-CG 4.14Å; M334-E371 WeakPolarHBondContact O-CB 3.37Å; M334-Y374 WeakPolarHBondContact SD-CB 3.37Å; M334-Y374 HydrophobicContact SD-CD2 3.94Å; M334-Y374 HydrophobicContact SD-CG 4Å; M334-V375 HydrophobicContact CB-CG2 4.45Å
335E95.4Very high96.5Very high154 Ų15445.2 Ų45.272%0.7224%0.237SC*.Hα-helixtrans-60.5-34.6177.3-73.6165.9-16800112.9R331 S337R331-E335 WeakPolarHBondContact O-CG 3.28Å; R331-E335 PolarHBondContact O-N 3.4Å; E335-S337 VanDerWaalsContact C-N 3.33Å
336G96.1Very high96.5Very high35 Ų3548.1 Ų48.136%0.36125%0.249SC..THydrogen-bonded Turntrans-82.5-4.5177.600000114.9G189 K332 Q333 M334G189-G336 WeakPolarHBondContact CA-O 3.34Å; G189-G336 PolarHBondContact N-O 3.39Å; K332-G336 PolarHBondContact O-N 3.2Å; K332-G336 VanDerWaalsContact O-N 3.09Å; Q333-G336 PolarHBondContact O-N 3.27Å; M334-G336 VanDerWaalsContact C-N 3.26Å; M334-G336 PolarHBondContact O-N 3.43Å
337S97.1Very high96.6Very high12 Ų1242.8 Ų42.88%0.08423%0.226CC..  trans-109.6147.9-172.9-61.90000112.5S187 Q333 M334 E335 E371S187-S337 CarbonylContact O-C 3.53Å; S187-S337 VanDerWaalsContact O-CA 3.27Å; S187-S337 WeakPolarHBondContact O-CA 3.34Å; Q333-S337 WeakPolarHBondContact O-CB 3.4Å; Q333-S337 PolarHBondContact O-N 2.88Å; Q333-S337 PolarHBondContact O-OG 3.05Å; M334-S337 PolarHBondContact O-N 3.37Å; M334-S337 VanDerWaalsContact O-N 3.11Å; E335-S337 VanDerWaalsContact C-N 3.33Å; S337-E371 PolarHBondContact O-N 2.92Å; S337-E371 VanDerWaalsContact O-N 3.08Å
338S97.8Very high96.7Very high49 Ų4939.2 Ų39.234%0.34320%0.196SC..EExtended strand (participates in β ladder)trans-150.3160.9176.552.90000111S187 G369S187-S338 PolarHBondContact N-O 3.34Å; S187-S338 PolarHBondContact O-N 3.39Å; S338-G369 WeakPolarHBondContact CA-O 3.5Å; S338-G369 WeakPolarHBondContact CB-O 3.46Å
339F97.8Very high96.7Very high4 Ų441.6 Ų41.62%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-116.4157.8172.577.8-97.3000111.5F157 P161 L184 F341 I367 Q368 G369 P370 A372 A376 I422F157-F339 AromaticContact CD2-CD1 3.8Å; F157-F339 HydrophobicContact CD2-CD1 3.8Å; F157-F339 HydrophobicContact CD2-CD2 4.49Å; F157-F339 AromaticContact CD2-CE1 3.85Å; F157-F339 HydrophobicContact CD2-CE1 3.85Å; F157-F339 HydrophobicContact CD2-CG 4.16Å; F157-F339 HydrophobicContact CD2-CZ 4.2Å; F157-F339 HydrophobicContact CE2-CB 3.87Å; F157-F339 AromaticContact CE2-CD1 3.45Å; F157-F339 HydrophobicContact CE2-CD1 3.45Å; F157-F339 VanDerWaalsContact CE2-CD1 3.45Å; F157-F339 AromaticContact CE2-CD2 3.56Å; F157-F339 HydrophobicContact CE2-CD2 3.56Å; F157-F339 AromaticContact CE2-CE1 3.82Å; F157-F339 HydrophobicContact CE2-CE1 3.82Å; F157-F339 AromaticContact CE2-CE2 3.9Å; F157-F339 HydrophobicContact CE2-CE2 3.9Å; F157-F339 AromaticContact CE2-CG 3.33Å; F157-F339 HydrophobicContact CE2-CG 3.33Å; F157-F339 HydrophobicContact CE2-CZ 4.02Å; F157-F339 HydrophobicContact CZ-CB 4.11Å; F157-F339 HydrophobicContact CZ-CD1 4.45Å; F157-F339 HydrophobicContact CZ-CD2 4.34Å; F157-F339 HydrophobicContact CZ-CG 4.07Å; P161-F339 HydrophobicContact CB-CE2 4.24Å; P161-F339 HydrophobicContact CB-CZ 4.46Å; P161-F339 HydrophobicContact CG-CE2 4.42Å; P161-F339 HydrophobicContact CG-CZ 4.2Å; L184-F339 HydrophobicContact CD1-CB 4.24Å; F339-F341 HydrophobicContact CD2-CD2 4.04Å; F339-F341 HydrophobicContact CE2-CD2 4.21Å; F339-I367 HydrophobicContact CE2-CG2 4.07Å; F339-I367 HydrophobicContact CZ-CG2 4.44Å; F339-Q368 WeakPolarHBondContact O-CA 3.46Å; F339-G369 PolarHBondContact N-O 3.32Å; F339-G369 VanDerWaalsContact N-O 3.1Å; F339-G369 PolarHBondContact O-N 3.34Å; F339-P370 WeakPolarHBondContact CD1-O 3.3Å; F339-A372 HydrophobicContact CD1-CB 4.5Å; F339-A376 HydrophobicContact CD1-CB 4.31Å; F339-A376 HydrophobicContact CE1-CB 3.69Å; F339-I422 HydrophobicContact CZ-CG2 4.18Å
340R97.9Very high96.4Very high81 Ų8147 Ų4731%0.30624%0.237SC..EExtended strand (participates in β ladder)trans-139127.3170.4175.5179167.4124.94.2109.8L184 T185 S342 L366L184-R340 CarbonylContact C-O 3.08Å; L184-R340 WeakPolarHBondContact CA-O 3.28Å; T185-R340 PolarHBondContact N-O 3.5Å; T185-R340 PolarHBondContact O-N 3.01Å; T185-R340 WeakPolarHBondContact OG1-CB 3.42Å; T185-R340 PolarHBondContact OG1-O 3.43Å; R340-S342 PolarHBondContact NE-OG 2.82Å; R340-S342 VanDerWaalsContact NE-OG 3.08Å; R340-S342 PolarHBondContact NH2-OG 3.29Å; R340-L366 HydrophobicContact CG-CD1 3.43Å; R340-L366 VanDerWaalsContact CG-CD1 3.43Å; R340-L366 VanDerWaalsContact NE-CD1 3.3Å
341F97.1Very high95.8Very high2 Ų247.4 Ų47.41%0.00926%0.257CS..EExtended strand (participates in β ladder)trans-111.8111170.9-101.6-78000108.7F157 P161 A162 F183 L184 F339 F343 I367F157-F341 HydrophobicContact CE2-CD2 4.29Å; F157-F341 AromaticContact CE2-CE2 3.98Å; F157-F341 HydrophobicContact CE2-CE2 3.98Å; F157-F341 HydrophobicContact CZ-CD2 4.34Å; F157-F341 AromaticContact CZ-CE2 3.71Å; F157-F341 HydrophobicContact CZ-CE2 3.71Å; P161-F341 HydrophobicContact CB-CD2 3.85Å; P161-F341 HydrophobicContact CB-CE2 4.05Å; A162-F341 HydrophobicContact CB-CE1 4.36Å; A162-F341 HydrophobicContact CB-CZ 4.27Å; F183-F341 WeakPolarHBondContact O-CA 3.37Å; L184-F341 HydrophobicContact CB-CD1 4.19Å; L184-F341 HydrophobicContact CB-CE1 3.81Å; L184-F341 HydrophobicContact CB-CE2 4.19Å; L184-F341 HydrophobicContact CB-CZ 3.81Å; L184-F341 HydrophobicContact CD1-CD2 3.83Å; L184-F341 HydrophobicContact CD1-CE2 3.7Å; L184-F341 HydrophobicContact CD1-CG 4.43Å; L184-F341 HydrophobicContact CD1-CZ 4.2Å; L184-F341 HydrophobicContact CD2-CE2 4.17Å; L184-F341 HydrophobicContact CD2-CZ 4.07Å; L184-F341 HydrophobicContact CG-CE2 4.22Å; L184-F341 HydrophobicContact CG-CZ 4.23Å; F339-F341 HydrophobicContact CD2-CD2 4.04Å; F339-F341 HydrophobicContact CE2-CD2 4.21Å; F341-F343 HydrophobicContact CB-CD2 4.39Å; F341-F343 HydrophobicContact CB-CE2 3.68Å; F341-F343 HydrophobicContact CB-CZ 4.38Å; F341-F343 HydrophobicContact CD1-CE2 4.21Å; F341-F343 HydrophobicContact CD1-CZ 4.15Å; F341-F343 HydrophobicContact CG-CE2 4.27Å; F341-I367 HydrophobicContact CB-CB 4.06Å; F341-I367 PolarHBondContact N-O 3.32Å; F341-I367 PolarHBondContact O-N 3.26Å
342S98.1Very high95.4Very high0 Ų047.2 Ų47.20%026%0.261CS..EExtended strand (participates in β ladder)trans-99.5123.9175.3-54.40000109.5S182 F183 R340S182-S342 CarbonylContact C-O 3.31Å; S182-S342 WeakPolarHBondContact CA-O 3.46Å; F183-S342 PolarHBondContact N-O 3.48Å; F183-S342 PolarHBondContact O-N 2.95Å; R340-S342 PolarHBondContact NE-OG 2.82Å; R340-S342 VanDerWaalsContact NE-OG 3.08Å; R340-S342 PolarHBondContact NH2-OG 3.29Å
343F98.6Very high94.9Very high0 Ų045 Ų450%026%0.255CS..EExtended strand (participates in β ladder)trans-108.6136.3178-63.8-105.3000110.3P161 V166 V180 E181 Y277 F341 R364 T365 I367P161-F343 WeakPolarHBondContact O-CZ 3.35Å; V166-F343 HydrophobicContact CG2-CD1 4.38Å; V166-F343 HydrophobicContact CG2-CE1 3.98Å; V180-F343 HydrophobicContact CG1-CB 4.18Å; V180-F343 HydrophobicContact CG1-CD1 3.62Å; V180-F343 HydrophobicContact CG1-CG 4.39Å; E181-F343 CarbonylContact O-C 3.59Å; E181-F343 WeakPolarHBondContact O-CA 3.3Å; Y277-F343 HydrophobicContact CE2-CE1 4.25Å; F341-F343 HydrophobicContact CB-CD2 4.39Å; F341-F343 HydrophobicContact CB-CE2 3.68Å; F341-F343 HydrophobicContact CB-CZ 4.38Å; F341-F343 HydrophobicContact CD1-CE2 4.21Å; F341-F343 HydrophobicContact CD1-CZ 4.15Å; F341-F343 HydrophobicContact CG-CE2 4.27Å; F343-R364 VanDerWaalsContact O-CA 3.3Å; F343-R364 WeakPolarHBondContact O-CA 3.49Å; F343-R364 WeakPolarHBondContact O-CG 3.26Å; F343-T365 WeakPolarHBondContact CB-OG1 3.24Å; F343-T365 PolarHBondContact N-O 2.87Å; F343-T365 PolarHBondContact O-N 2.9Å; F343-I367 HydrophobicContact CD2-CD1 3.34Å; F343-I367 HydrophobicContact CD2-CG1 4.46Å; F343-I367 HydrophobicContact CE2-CB 4.32Å; F343-I367 HydrophobicContact CE2-CD1 3.19Å; F343-I367 HydrophobicContact CE2-CG1 3.88Å; F343-I367 HydrophobicContact CG-CD1 4.47Å; F343-I367 HydrophobicContact CZ-CD1 4.25Å
344Y98Very high94.4Very high42 Ų4244.1 Ų44.117%0.16525%0.253CS..EExtended strand (participates in β ladder)trans-120.9104.3178.1-61.8-92.3000107.8V180 E181 F183 E243 R364V180-Y344 WeakPolarHBondContact CA-O 3.38Å; E181-Y344 PolarHBondContact N-O 3.19Å; E181-Y344 PolarHBondContact O-N 2.6Å; F183-Y344 AromaticContact CD2-CD2 3.61Å; F183-Y344 HydrophobicContact CD2-CD2 3.61Å; F183-Y344 AromaticContact CD2-CE2 3.58Å; F183-Y344 HydrophobicContact CD2-CE2 3.58Å; F183-Y344 AromaticContact CE2-CD2 3.7Å; F183-Y344 HydrophobicContact CE2-CD2 3.7Å; F183-Y344 AromaticContact CE2-CE2 3.96Å; F183-Y344 HydrophobicContact CE2-CE2 3.96Å; E243-Y344 HydrophobicContact CB-CD2 4.46Å; E243-Y344 HydrophobicContact CB-CE1 4.05Å; E243-Y344 HydrophobicContact CB-CE2 3.71Å; E243-Y344 VanDerWaalsContact CB-CZ 3.47Å; E243-Y344 WeakPolarHBondContact CB-OH 3.33Å; E243-Y344 HydrophobicContact CG-CD1 4.17Å; E243-Y344 HydrophobicContact CG-CD2 4.33Å; E243-Y344 HydrophobicContact CG-CE1 3.84Å; E243-Y344 HydrophobicContact CG-CE2 4.01Å; E243-Y344 HydrophobicContact CG-CG 4.41Å; E243-Y344 PolarHBondContact O-OH 3.18Å; Y344-R364 HydrophobicContact CD1-CG 4.06Å; Y344-R364 HydrophobicContact CE1-CG 3.82Å; Y344-R364 VanDerWaalsContact CE1-NE 3.32Å; Y344-R364 VanDerWaalsContact CZ-NE 3.34Å; Y344-R364 PolarHBondContact OH-NE 2.75Å; Y344-R364 PolarHBondContact OH-NH2 3.18Å
345G97.6Very high93.7Very high1 Ų147.8 Ų47.81%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-96.7139.7-179.300000112A179 K362 I363A179-G345 CarbonylContact O-C 3.11Å; A179-G345 WeakPolarHBondContact O-CA 3.31Å; G345-K362 VanDerWaalsContact O-CA 3.24Å; G345-K362 WeakPolarHBondContact O-CA 3.48Å; G345-I363 PolarHBondContact N-O 2.97Å; G345-I363 PolarHBondContact O-N 2.86Å
346E96.9Very high92.9Very high73 Ų7346.6 Ų46.634%0.34128%0.279SS..EExtended strand (participates in β ladder)trans-127140.9171.4-59.3-166.7152.700110.6T178 A179 P359 K362T178-E346 PolarHBondContact N-O 2.71Å; T178-E346 PolarHBondContact OG1-O 3.34Å; A179-E346 PolarHBondContact N-O 3.06Å; A179-E346 VanDerWaalsContact N-O 3.07Å; A179-E346 PolarHBondContact O-N 3.13Å; E346-P359 HydrophobicContact CB-CB 4.16Å; E346-K362 HydrophobicContact CG-CD 4.45Å; E346-K362 HydrophobicContact CG-CG 4.29Å; E346-K362 VanDerWaalsContact OE1-CE 3.28Å; E346-K362 WeakPolarHBondContact OE1-CE 3.41Å; E346-K362 IonicContact OE1-NZ 3.88Å; E346-K362 PolarHBondContact OE1-NZ 3.2Å
347G96.4Very high92.1Very high0 Ų048 Ų480%029%0.293CS..EExtended strand (participates in β ladder)trans-169.3-159.5-177.700000113.5T176 P359 N360 A361T176-G347 CarbonylContact O-C 3.57Å; T176-G347 WeakPolarHBondContact O-CA 3.27Å; G347-P359 CarbonylContact O-C 3.43Å; G347-P359 VanDerWaalsContact O-CA 3.28Å; G347-P359 WeakPolarHBondContact O-CA 3.35Å; G347-P359 WeakPolarHBondContact O-CB 3.3Å; G347-N360 PolarHBondContact O-N 3.36Å; G347-A361 PolarHBondContact N-O 3.28Å; G347-A361 PolarHBondContact O-N 3.05Å; G347-A361 VanDerWaalsContact O-N 3.09Å
348Y96.1Very high91.8Very high3 Ų355.8 Ų55.81%0.01233%0.325CS..EExtended strand (participates in β ladder)trans-121133.1-172.5-60.7-102.2000109.1G175 T176 T178 G229 S230 P354 G357 P359 N360G175-Y348 CarbonylContact C-O 3.58Å; G175-Y348 VanDerWaalsContact CA-O 3.27Å; G175-Y348 WeakPolarHBondContact CA-O 3.47Å; T176-Y348 PolarHBondContact N-O 2.79Å; T176-Y348 PolarHBondContact O-N 2.82Å; T178-Y348 HydrophobicContact CG2-CD2 3.85Å; T178-Y348 HydrophobicContact CG2-CE2 3.91Å; G229-Y348 WeakPolarHBondContact CA-OH 3.17Å; S230-Y348 PolarHBondContact N-OH 2.9Å; Y348-P354 HydrophobicContact CD2-CB 3.78Å; Y348-P354 HydrophobicContact CD2-CG 4.08Å; Y348-P354 HydrophobicContact CE2-CB 3.83Å; Y348-P354 HydrophobicContact CG-CB 4.25Å; Y348-P354 HydrophobicContact CG-CG 4.32Å; Y348-P354 PolarHBondContact OH-O 2.77Å; Y348-G357 PolarHBondContact OH-O 3.33Å; Y348-G357 VanDerWaalsContact OH-O 3.06Å; Y348-P359 HydrophobicContact CE2-CG 4.15Å; Y348-N360 VanDerWaalsContact CA-OD1 3.31Å; Y348-N360 WeakPolarHBondContact CA-OD1 3.38Å
349T94.6Very high91.6Very high55 Ų5555.2 Ų55.234%0.33732%0.32SS..  trans-57.4157.417352.60000111.9G351 Q352 N360 A361T349-G351 PolarHBondContact O-N 3.02Å; T349-Q352 WeakPolarHBondContact O-CB 3.32Å; T349-Q352 PolarHBondContact O-N 3.21Å; T349-Q352 VanDerWaalsContact O-N 3.16Å; T349-Q352 WeakPolarHBondContact OG1-CG 3.33Å; T349-N360 PolarHBondContact N-OD1 3.49Å; T349-N360 PolarHBondContact OG1-ND2 3.2Å; T349-A361 HydrophobicContact CG2-CB 3.87Å
350D90.4Very high91.4Very high123 Ų12359.3 Ų59.366%0.65834%0.342SS*.THydrogen-bonded Turntrans-48.8135.3177.3-70.5-44000112.9G175 Q352G175-D350 WeakPolarHBondContact CA-OD1 3.45Å; G175-D350 PolarHBondContact N-OD1 3.4Å; D350-Q352 VanDerWaalsContact C-N 3.28Å; D350-Q352 PolarHBondContact O-N 3.35Å
351G83Confident91.4Very high86 Ų8656.3 Ų56.389%0.88734%0.335SS*.THydrogen-bonded Turntrans79.6-5.2178.700000116T349T349-G351 PolarHBondContact O-N 3.02Å
352Q86.9Confident91.4Very high100 Ų10063.9 Ų63.947%0.46737%0.368SS..  trans-86.3132.4170.8-70-69.1-52.500110.7T349 D350 P354T349-Q352 WeakPolarHBondContact O-CB 3.32Å; T349-Q352 PolarHBondContact O-N 3.21Å; T349-Q352 VanDerWaalsContact O-N 3.16Å; T349-Q352 WeakPolarHBondContact OG1-CG 3.33Å; D350-Q352 VanDerWaalsContact C-N 3.28Å; D350-Q352 PolarHBondContact O-N 3.35Å; Q352-P354 VanDerWaalsContact O-CD 3.31Å; Q352-P354 WeakPolarHBondContact O-CD 3.44Å
353D84.3Confident91.4Very high77 Ų7765 Ų6541%0.41237%0.374SS..  trans-75.3118.4174.5179.91.1000109.9A355 Q356D353-A355 PolarHBondContact O-N 2.81Å; D353-A355 VanDerWaalsContact OD1-CB 3.3Å; D353-A355 WeakPolarHBondContact OD1-CB 3.46Å; D353-A355 PolarHBondContact OD1-N 3.34Å; D353-Q356 HydrophobicContact CB-CB 4.49Å; D353-Q356 HydrophobicContact CB-CG 4.14Å; D353-Q356 PolarHBondContact O-N 2.91Å
354P85.6Confident91.4Very high19 Ų1969 Ų6912%0.12339%0.388CS..THydrogen-bonded Turntrans-58.5-18.4175.8-24.935.9000114.3T176 T178 V228 G229 Y348 Q352 Q356T176-P354 HydrophobicContact CG2-CG 4.03Å; T178-P354 HydrophobicContact CG2-CB 4.3Å; V228-P354 HydrophobicContact CG1-CB 3.49Å; V228-P354 VanDerWaalsContact CG1-CB 3.49Å; V228-P354 HydrophobicContact CG1-CG 3.96Å; G229-P354 VanDerWaalsContact CA-O 3.3Å; G229-P354 WeakPolarHBondContact CA-O 3.26Å; Y348-P354 HydrophobicContact CD2-CB 3.78Å; Y348-P354 HydrophobicContact CD2-CG 4.08Å; Y348-P354 HydrophobicContact CE2-CB 3.83Å; Y348-P354 HydrophobicContact CG-CB 4.25Å; Y348-P354 HydrophobicContact CG-CG 4.32Å; Y348-P354 PolarHBondContact OH-O 2.77Å; Q352-P354 VanDerWaalsContact O-CD 3.31Å; Q352-P354 WeakPolarHBondContact O-CD 3.44Å; P354-Q356 PolarHBondContact O-N 3.37Å
355A82.8Confident91.4Very high87 Ų8767 Ų6772%0.71938%0.381SS*.THydrogen-bonded Turntrans-71.2-14.117300000113D353D353-A355 PolarHBondContact O-N 2.81Å; D353-A355 VanDerWaalsContact OD1-CB 3.3Å; D353-A355 WeakPolarHBondContact OD1-CB 3.46Å; D353-A355 PolarHBondContact OD1-N 3.34Å
356Q78Confident91.4Very high130 Ų13067.4 Ų67.461%0.60738%0.383SS*.SBendtrans-112.9120.3-175.7-57.3-172.62000111D353 P354D353-Q356 HydrophobicContact CB-CB 4.49Å; D353-Q356 HydrophobicContact CB-CG 4.14Å; D353-Q356 PolarHBondContact O-N 2.91Å; P354-Q356 PolarHBondContact O-N 3.37Å
357G80.2Confident91.5Very high63 Ų6363.9 Ų63.965%0.64937%0.366SS*.SBendtrans74-169.7172.500000115.9Y348Y348-G357 PolarHBondContact OH-O 3.33Å; Y348-G357 VanDerWaalsContact OH-O 3.06Å
358K90.5Very high91.6Very high177 Ų17767.8 Ų67.877%0.7738%0.384SS*.SBendtrans-94.2153.7-178.1-66.6179.2-179.1173.70110.3N360K358-N360 PolarHBondContact O-N 3.1Å
359P93.3Very high91.7Very high37 Ų3768.1 Ų68.124%0.2439%0.389CS..  trans-49.3132171-27.534.3000111.4S230 E346 G347 Y348S230-P359 WeakPolarHBondContact OG-CD 3.21Å; E346-P359 HydrophobicContact CB-CB 4.16Å; G347-P359 CarbonylContact O-C 3.43Å; G347-P359 VanDerWaalsContact O-CA 3.28Å; G347-P359 WeakPolarHBondContact O-CA 3.35Å; G347-P359 WeakPolarHBondContact O-CB 3.3Å; Y348-P359 HydrophobicContact CE2-CG 4.15Å
360N94.4Very high91.9Very high89 Ų8967.2 Ų67.248%0.47638%0.384SS..  trans-118.4-1.5-175.871.7-16.1000113G347 Y348 T349 K358G347-N360 PolarHBondContact O-N 3.36Å; Y348-N360 VanDerWaalsContact CA-OD1 3.31Å; Y348-N360 WeakPolarHBondContact CA-OD1 3.38Å; T349-N360 PolarHBondContact N-OD1 3.49Å; T349-N360 PolarHBondContact OG1-ND2 3.2Å; K358-N360 PolarHBondContact O-N 3.1Å
361A96.3Very high92.2Very high18 Ų1862.2 Ų62.215%0.14936%0.357CS..EExtended strand (participates in β ladder)trans-132.5147.6177.800000111.3F173 G347 T349F173-A361 HydrophobicContact CE1-CB 4.4Å; F173-A361 HydrophobicContact CE2-CB 4.1Å; F173-A361 HydrophobicContact CZ-CB 3.54Å; G347-A361 PolarHBondContact N-O 3.28Å; G347-A361 PolarHBondContact O-N 3.05Å; G347-A361 VanDerWaalsContact O-N 3.09Å; T349-A361 HydrophobicContact CG2-CB 3.87Å
362K97Very high92.8Very high162 Ų16259 Ų5970%0.70432%0.321SS*.EExtended strand (participates in β ladder)trans-133151.8179.8-57.6-165.1-176.3-148.30110.5G345 E346G345-K362 VanDerWaalsContact O-CA 3.24Å; G345-K362 WeakPolarHBondContact O-CA 3.48Å; E346-K362 HydrophobicContact CG-CD 4.45Å; E346-K362 HydrophobicContact CG-CG 4.29Å; E346-K362 VanDerWaalsContact OE1-CE 3.28Å; E346-K362 WeakPolarHBondContact OE1-CE 3.41Å; E346-K362 IonicContact OE1-NZ 3.88Å; E346-K362 PolarHBondContact OE1-NZ 3.2Å
363I98.3Very high93.2Very high23 Ų2355.1 Ų55.112%0.11831%0.309CS..EExtended strand (participates in β ladder)trans-136.7148.7170.1-171.1167.8000109.1T169 Q172 F173 L177 G345 T365 V426T169-I363 HydrophobicContact CG2-CG2 3.53Å; Q172-I363 HydrophobicContact CB-CD1 3.67Å; F173-I363 HydrophobicContact CD2-CB 3.8Å; F173-I363 HydrophobicContact CD2-CG2 3.52Å; F173-I363 HydrophobicContact CE2-CB 4.36Å; F173-I363 HydrophobicContact CE2-CG2 4.19Å; L177-I363 HydrophobicContact CD1-CG2 4.34Å; G345-I363 PolarHBondContact N-O 2.97Å; G345-I363 PolarHBondContact O-N 2.86Å; I363-T365 HydrophobicContact CD1-CG2 4.02Å; I363-T365 HydrophobicContact CG1-CG2 4.07Å; I363-V426 HydrophobicContact CD1-CG1 4.28Å; I363-V426 HydrophobicContact CD1-CG2 4.45Å; I363-V426 HydrophobicContact CG1-CG1 4.19Å
364R98.3Very high93.8Very high83 Ų8351.8 Ų51.831%0.31329%0.291SS..EExtended strand (participates in β ladder)trans-121.3131.4166.7-166.5-176.7-179.3-164.33.6108.6F343 Y344 I427F343-R364 VanDerWaalsContact O-CA 3.3Å; F343-R364 WeakPolarHBondContact O-CA 3.49Å; F343-R364 WeakPolarHBondContact O-CG 3.26Å; Y344-R364 HydrophobicContact CD1-CG 4.06Å; Y344-R364 HydrophobicContact CE1-CG 3.82Å; Y344-R364 VanDerWaalsContact CE1-NE 3.32Å; Y344-R364 VanDerWaalsContact CZ-NE 3.34Å; Y344-R364 PolarHBondContact OH-NE 2.75Å; Y344-R364 PolarHBondContact OH-NH2 3.18Å; R364-I427 HydrophobicContact CB-CD1 4.49Å; R364-I427 HydrophobicContact CB-CG1 3.9Å; R364-I427 HydrophobicContact CG-CD1 3.64Å; R364-I427 HydrophobicContact CG-CG1 3.57Å; R364-I427 VanDerWaalsContact NE-CD1 3.29Å; R364-I427 PolarHBondContact O-N 2.71Å
365T98.8Very high94.4Very high0 Ų053.3 Ų53.30%030%0.3CS..EExtended strand (participates in β ladder)trans-126.5158172.266.90000109.7Y168 T169 F343 I363 S425 V426Y168-T365 HydrophobicContact CD1-CG2 4.03Å; Y168-T365 HydrophobicContact CE1-CG2 3.95Å; T169-T365 HydrophobicContact CG2-CG2 4.1Å; T169-T365 PolarHBondContact OG1-OG1 3.45Å; F343-T365 WeakPolarHBondContact CB-OG1 3.24Å; F343-T365 PolarHBondContact N-O 2.87Å; F343-T365 PolarHBondContact O-N 2.9Å; I363-T365 HydrophobicContact CD1-CG2 4.02Å; I363-T365 HydrophobicContact CG1-CG2 4.07Å; T365-S425 CarbonylContact C-O 3.58Å; T365-S425 WeakPolarHBondContact CA-O 3.48Å; T365-S425 VanDerWaalsContact CB-O 3.28Å; T365-S425 WeakPolarHBondContact CB-O 3.27Å; T365-V426 HydrophobicContact CG2-CG2 4.25Å
366L98.6Very high95.1Very high10 Ų1049.2 Ų49.25%0.05227%0.266CS..EExtended strand (participates in β ladder)trans-133.5125.3-173.8-179.764.4000109.3R340 F424 S425 I427R340-L366 HydrophobicContact CG-CD1 3.43Å; R340-L366 VanDerWaalsContact CG-CD1 3.43Å; R340-L366 VanDerWaalsContact NE-CD1 3.3Å; L366-F424 CarbonylContact O-C 3.45Å; L366-F424 WeakPolarHBondContact O-CA 3.47Å; L366-S425 PolarHBondContact N-O 3.34Å; L366-S425 PolarHBondContact O-N 3.19Å; L366-S425 PolarHBondContact O-OG 2.95Å; L366-I427 HydrophobicContact CB-CD1 3.94Å; L366-I427 HydrophobicContact CB-CG1 4.22Å; L366-I427 HydrophobicContact CB-CG2 3.91Å; L366-I427 HydrophobicContact CD2-CG2 4.21Å
367I98.5Very high96.1Very high0 Ų043.4 Ų43.40%024%0.239CC..EExtended strand (participates in β ladder)trans-115.1119172.1-60.362.5000106.6P161 F339 F341 F343 I422 M423 F424P161-I367 HydrophobicContact CB-CG2 4.18Å; F339-I367 HydrophobicContact CE2-CG2 4.07Å; F339-I367 HydrophobicContact CZ-CG2 4.44Å; F341-I367 HydrophobicContact CB-CB 4.06Å; F341-I367 PolarHBondContact N-O 3.32Å; F341-I367 PolarHBondContact O-N 3.26Å; F343-I367 HydrophobicContact CD2-CD1 3.34Å; F343-I367 HydrophobicContact CD2-CG1 4.46Å; F343-I367 HydrophobicContact CE2-CB 4.32Å; F343-I367 HydrophobicContact CE2-CD1 3.19Å; F343-I367 HydrophobicContact CE2-CG1 3.88Å; F343-I367 HydrophobicContact CG-CD1 4.47Å; F343-I367 HydrophobicContact CZ-CD1 4.25Å; I367-I422 HydrophobicContact CG2-CG2 4.15Å; I367-M423 CarbonylContact C-O 3.59Å; I367-M423 WeakPolarHBondContact CA-O 3.33Å; I367-F424 HydrophobicContact CD1-CD1 4.08Å; I367-F424 HydrophobicContact CD1-CE1 4.44Å; I367-F424 HydrophobicContact CG1-CD1 3.39Å; I367-F424 HydrophobicContact CG1-CE1 3.52Å; I367-F424 HydrophobicContact CG1-CG 3.97Å; I367-F424 HydrophobicContact CG1-CZ 4.21Å; I367-F424 HydrophobicContact CG2-CD1 4.46Å; I367-F424 HydrophobicContact CG2-CD2 4.42Å; I367-F424 HydrophobicContact CG2-CE1 4.19Å; I367-F424 HydrophobicContact CG2-CE2 4.17Å; I367-F424 HydrophobicContact CG2-CZ 4.04Å
368Q98.1Very high97Very high81 Ų8140.5 Ų40.538%0.37921%0.209SC..EExtended strand (participates in β ladder)trans-135.7150-178.763.7-178.21600110.5F339 I422 M423F339-Q368 WeakPolarHBondContact O-CA 3.46Å; Q368-I422 CarbonylContact O-C 3.52Å; Q368-M423 HydrophobicContact CG-CB 4.01Å; Q368-M423 PolarHBondContact N-O 3.41Å; Q368-M423 PolarHBondContact O-N 3.29Å
369G98.2Very high97.4Very high11 Ų1132.6 Ų32.611%0.11318%0.175CC..EExtended strand (participates in β ladder)trans-166-176.3-179.100000113S338 F339 G421S338-G369 WeakPolarHBondContact CA-O 3.5Å; S338-G369 WeakPolarHBondContact CB-O 3.46Å; F339-G369 PolarHBondContact N-O 3.32Å; F339-G369 VanDerWaalsContact N-O 3.1Å; F339-G369 PolarHBondContact O-N 3.34Å; G369-G421 VanDerWaalsContact CA-O 3.3Å; G369-G421 WeakPolarHBondContact CA-O 3.35Å
370P97.9Very high97.6Very high36 Ų3630.8 Ų30.823%0.23416%0.163CC..EExtended strand (participates in β ladder)trans-68.8-167.5179.633-37.7000110.8F339 A372 V375 A376 I379 G421F339-P370 WeakPolarHBondContact CD1-O 3.3Å; P370-A372 PolarHBondContact O-N 3.36Å; P370-V375 HydrophobicContact CB-CB 4.04Å; P370-V375 HydrophobicContact CB-CG1 3.68Å; P370-V375 HydrophobicContact CG-CB 3.97Å; P370-V375 HydrophobicContact CG-CG1 3.47Å; P370-V375 VanDerWaalsContact CG-CG1 3.47Å; P370-A376 HydrophobicContact CG-CB 4.33Å; P370-I379 HydrophobicContact CG-CD1 4.24Å; P370-G421 WeakPolarHBondContact CD-O 3.36Å
371E97.6Very high97.9Very high18 Ų1826.6 Ų26.68%0.08414%0.14CC..  trans-50.1136.6175.7-169.5-73.7141.100112.2M334 S337 G373 Y374 V375 A376M334-E371 HydrophobicContact CB-CB 4.24Å; M334-E371 HydrophobicContact CB-CG 4.23Å; M334-E371 HydrophobicContact CG-CG 4.14Å; M334-E371 WeakPolarHBondContact O-CB 3.37Å; S337-E371 PolarHBondContact O-N 2.92Å; S337-E371 VanDerWaalsContact O-N 3.08Å; E371-G373 PolarHBondContact OE1-N 3.03Å; E371-G373 PolarHBondContact OE2-N 3.46Å; E371-G373 VanDerWaalsContact OE2-N 3.08Å; E371-Y374 WeakPolarHBondContact OE2-CA 3.33Å; E371-Y374 PolarHBondContact OE2-N 2.77Å; E371-V375 HydrophobicContact CB-CB 4.5Å; E371-V375 HydrophobicContact CB-CG2 4.14Å; E371-V375 PolarHBondContact OE2-N 2.99Å; E371-A376 VanDerWaalsContact O-CB 3.3Å; E371-A376 WeakPolarHBondContact O-CB 3.32Å; E371-A376 PolarHBondContact O-N 2.88Å
372A96.2Very high97.9Very high17 Ų1725.7 Ų25.714%0.1413%0.133CC..Iπ-helixtrans-68.2-50.9-167.700000114.3F157 F339 P370 T377F157-A372 HydrophobicContact CB-CB 4.38Å; F157-A372 WeakPolarHBondContact CB-O 3.21Å; F157-A372 HydrophobicContact CD1-CB 3.56Å; F157-A372 HydrophobicContact CD2-CB 3.71Å; F157-A372 HydrophobicContact CE1-CB 3.64Å; F157-A372 HydrophobicContact CE2-CB 3.83Å; F157-A372 HydrophobicContact CG-CB 3.58Å; F157-A372 HydrophobicContact CZ-CB 3.77Å; F339-A372 HydrophobicContact CD1-CB 4.5Å; P370-A372 PolarHBondContact O-N 3.36Å; A372-T377 PolarHBondContact O-N 3.4Å; A372-T377 VanDerWaalsContact O-N 3.11Å; A372-T377 PolarHBondContact O-OG1 3.25Å
373G94.6Very high98Very high20 Ų2018 Ų1821%0.20610%0.1CC..Iπ-helixtrans-81.8-30-165.200000115.4E371 T377E371-G373 PolarHBondContact OE1-N 3.03Å; E371-G373 PolarHBondContact OE2-N 3.46Å; E371-G373 VanDerWaalsContact OE2-N 3.08Å; G373-T377 VanDerWaalsContact O-CB 3.25Å; G373-T377 WeakPolarHBondContact O-CB 3.3Å
374Y97.1Very high98Very high7 Ų717 Ų173%0.0279%0.094CC..Iπ-helixtrans-135.2-4.5-164.9-49-65.2000113.4F22 T23 F26 H196 P329 M334 E371 P378F22-Y374 AromaticContact CD1-CD1 3.73Å; F22-Y374 HydrophobicContact CD1-CD1 3.73Å; F22-Y374 AromaticContact CD1-CE1 3.33Å; F22-Y374 HydrophobicContact CD1-CE1 3.33Å; F22-Y374 AromaticContact CD1-CZ 3.88Å; F22-Y374 AromaticContact CE1-CD1 3.54Å; F22-Y374 HydrophobicContact CE1-CD1 3.54Å; F22-Y374 HydrophobicContact CE1-CD2 4.18Å; F22-Y374 AromaticContact CE1-CE1 3.35Å; F22-Y374 HydrophobicContact CE1-CE1 3.35Å; F22-Y374 AromaticContact CE1-CE2 3.99Å; F22-Y374 HydrophobicContact CE1-CE2 3.99Å; F22-Y374 AromaticContact CE1-CG 3.97Å; F22-Y374 HydrophobicContact CE1-CG 3.97Å; F22-Y374 AromaticContact CE1-CZ 3.59Å; T23-Y374 HydrophobicContact CG2-CD1 4.46Å; F26-Y374 WeakPolarHBondContact CB-O 3.47Å; F26-Y374 AromaticContact CD2-CD1 3.96Å; F26-Y374 HydrophobicContact CD2-CD1 3.96Å; F26-Y374 HydrophobicContact CD2-CG 4.26Å; F26-Y374 AromaticContact CE2-CD1 4Å; F26-Y374 HydrophobicContact CE2-CD1 4Å; F26-Y374 HydrophobicContact CE2-CG 4.13Å; H196-Y374 HydrophobicContact CB-CE1 4.34Å; H196-Y374 WeakPolarHBondContact CB-OH 3.21Å; H196-Y374 PolarHBondContact N-OH 3.42Å; P329-Y374 VanDerWaalsContact CD-CE2 3.45Å; P329-Y374 HydrophobicContact CG-CD2 3.35Å; P329-Y374 HydrophobicContact CG-CE2 3.35Å; P329-Y374 HydrophobicContact CG-CG 4.41Å; M334-Y374 WeakPolarHBondContact SD-CB 3.37Å; M334-Y374 HydrophobicContact SD-CD2 3.94Å; M334-Y374 HydrophobicContact SD-CG 4Å; E371-Y374 WeakPolarHBondContact OE2-CA 3.33Å; E371-Y374 PolarHBondContact OE2-N 2.77Å; Y374-P378 WeakPolarHBondContact O-CG 3.28Å
375V97.9Very high98Very high51 Ų5113 Ų1331%0.3098%0.08SC..Iπ-helixtrans-113.3-60.6166.1-170.90000110.1M334 P370 E371 T377 P378 I379M334-V375 HydrophobicContact CB-CG2 4.45Å; P370-V375 HydrophobicContact CB-CB 4.04Å; P370-V375 HydrophobicContact CB-CG1 3.68Å; P370-V375 HydrophobicContact CG-CB 3.97Å; P370-V375 HydrophobicContact CG-CG1 3.47Å; P370-V375 VanDerWaalsContact CG-CG1 3.47Å; E371-V375 HydrophobicContact CB-CB 4.5Å; E371-V375 HydrophobicContact CB-CG2 4.14Å; E371-V375 PolarHBondContact OE2-N 2.99Å; V375-T377 PolarHBondContact O-N 2.95Å; V375-P378 WeakPolarHBondContact O-CD 3.27Å; V375-I379 HydrophobicContact CG1-CD1 3.88Å; V375-I379 VanDerWaalsContact O-CD1 3.31Å; V375-I379 WeakPolarHBondContact O-CD1 3.41Å; V375-I379 VanDerWaalsContact O-CG1 3.27Å; V375-I379 WeakPolarHBondContact O-CG1 3.25Å; V375-I379 PolarHBondContact O-N 3.09Å
376A98.4Very high97.8Very high1 Ų113 Ų131%0.0088%0.08CC..Iπ-helixtrans-66.9-35.6-177.600000113.1F157 F339 P370 E371 I379 A380 I422F157-A376 HydrophobicContact CD2-CB 4.5Å; F339-A376 HydrophobicContact CD1-CB 4.31Å; F339-A376 HydrophobicContact CE1-CB 3.69Å; P370-A376 HydrophobicContact CG-CB 4.33Å; E371-A376 VanDerWaalsContact O-CB 3.3Å; E371-A376 WeakPolarHBondContact O-CB 3.32Å; E371-A376 PolarHBondContact O-N 2.88Å; A376-I379 PolarHBondContact O-N 2.87Å; A376-A380 VanDerWaalsContact O-CB 3.23Å; A376-A380 WeakPolarHBondContact O-CB 3.49Å; A376-A380 PolarHBondContact O-N 3.31Å; A376-I422 HydrophobicContact CB-CD1 3.96Å; A376-I422 HydrophobicContact CB-CG1 4.29Å; A376-I422 WeakPolarHBondContact O-CD1 3.32Å
377T98.4Very high97.7Very high7 Ų712.5 Ų12.54%0.0438%0.077CC..Hα-helixtrans-63.4-52.3177.8-70.90000112.8T23 I126 F157 A372 G373 V375 I379 A380 M381T23-T377 HydrophobicContact CG2-CG2 4.16Å; I126-T377 HydrophobicContact CB-CG2 4.02Å; I126-T377 HydrophobicContact CD1-CG2 3.83Å; I126-T377 HydrophobicContact CG2-CG2 3.76Å; F157-T377 WeakPolarHBondContact CB-OG1 3.37Å; F157-T377 PolarHBondContact N-OG1 2.94Å; A372-T377 PolarHBondContact O-N 3.4Å; A372-T377 VanDerWaalsContact O-N 3.11Å; A372-T377 PolarHBondContact O-OG1 3.25Å; G373-T377 VanDerWaalsContact O-CB 3.25Å; G373-T377 WeakPolarHBondContact O-CB 3.3Å; V375-T377 PolarHBondContact O-N 2.95Å; T377-I379 PolarHBondContact O-N 3.25Å; T377-A380 PolarHBondContact O-N 2.91Å; T377-M381 WeakPolarHBondContact O-CB 3.3Å; T377-M381 PolarHBondContact O-N 3.26Å
378P98.6Very high97.6Very high2 Ų212.9 Ų12.91%0.0138%0.079CC..Hα-helixtrans-53.9-47.5171.1-29.935.4000113.7F26 V27 E30 Y374 V375 A380 M381 V382F26-P378 HydrophobicContact CB-CB 4.48Å; F26-P378 HydrophobicContact CB-CG 3.55Å; V27-P378 HydrophobicContact CG2-CB 4.2Å; V27-P378 HydrophobicContact CG2-CG 4.2Å; E30-P378 HydrophobicContact CB-CB 3.72Å; E30-P378 HydrophobicContact CG-CB 4.14Å; Y374-P378 WeakPolarHBondContact O-CG 3.28Å; V375-P378 WeakPolarHBondContact O-CD 3.27Å; P378-A380 VanDerWaalsContact C-N 3.34Å; P378-A380 PolarHBondContact O-N 2.97Å; P378-M381 PolarHBondContact O-N 2.76Å; P378-V382 WeakPolarHBondContact O-CB 3.16Å; P378-V382 VanDerWaalsContact O-CG2 3.32Å; P378-V382 WeakPolarHBondContact O-CG2 3.24Å; P378-V382 PolarHBondContact O-N 2.83Å
379I98.6Very high97.4Very high11 Ų119.4 Ų9.46%0.0566%0.063CC..Hα-helixtrans-56.1-51.5178.2-68.4161.1000109.7E30 P370 V375 A376 T377 M381 V382 Q383 L417 H420 I422E30-I379 HydrophobicContact CG-CG1 4.37Å; E30-I379 WeakPolarHBondContact OE1-CG1 3.15Å; P370-I379 HydrophobicContact CG-CD1 4.24Å; V375-I379 HydrophobicContact CG1-CD1 3.88Å; V375-I379 VanDerWaalsContact O-CD1 3.31Å; V375-I379 WeakPolarHBondContact O-CD1 3.41Å; V375-I379 VanDerWaalsContact O-CG1 3.27Å; V375-I379 WeakPolarHBondContact O-CG1 3.25Å; V375-I379 PolarHBondContact O-N 3.09Å; A376-I379 PolarHBondContact O-N 2.87Å; T377-I379 PolarHBondContact O-N 3.25Å; I379-M381 VanDerWaalsContact C-N 3.34Å; I379-M381 PolarHBondContact O-N 3.38Å; I379-V382 PolarHBondContact O-N 2.61Å; I379-Q383 HydrophobicContact CG2-CG 4.23Å; I379-Q383 WeakPolarHBondContact O-CB 3.46Å; I379-Q383 VanDerWaalsContact O-CG 3.23Å; I379-Q383 WeakPolarHBondContact O-CG 3.49Å; I379-Q383 PolarHBondContact O-N 3.4Å; I379-L417 HydrophobicContact CG2-CD2 4.43Å; I379-H420 WeakPolarHBondContact CD1-O 3.26Å; I379-H420 HydrophobicContact CG2-CB 3.64Å; I379-I422 HydrophobicContact CB-CD1 4.1Å; I379-I422 HydrophobicContact CG2-CD1 3.78Å; I379-I422 HydrophobicContact CG2-CG1 4.34Å
380A98.8Very high97.1Very high0 Ų010.9 Ų10.90%07%0.068CC..Hα-helixtrans-59.5-43.9-178.300000112.3C155 I160 A376 T377 P378 A384 L417 I422C155-A380 CarbonylContact O-C 3.57Å; I160-A380 HydrophobicContact CB-CB 4.22Å; I160-A380 HydrophobicContact CD1-CB 3.81Å; I160-A380 HydrophobicContact CG2-CB 4.14Å; A376-A380 VanDerWaalsContact O-CB 3.23Å; A376-A380 WeakPolarHBondContact O-CB 3.49Å; A376-A380 PolarHBondContact O-N 3.31Å; T377-A380 PolarHBondContact O-N 2.91Å; P378-A380 VanDerWaalsContact C-N 3.34Å; P378-A380 PolarHBondContact O-N 2.97Å; A380-A384 VanDerWaalsContact O-CB 3.27Å; A380-A384 WeakPolarHBondContact O-CB 3.18Å; A380-A384 PolarHBondContact O-N 2.91Å; A380-L417 HydrophobicContact CB-CD2 4.3Å; A380-I422 HydrophobicContact CB-CD1 4.3Å
381M98.8Very high97Very high0 Ų011 Ų110%07%0.066CC..Hα-helixtrans-66.7-47.7-179.1-168.3-171.3-162.600112.1V27 L99 I124 I126 C155 T377 P378 I379 A384 A385V27-M381 HydrophobicContact CG1-SD 4.04Å; V27-M381 HydrophobicContact CG2-SD 4.05Å; L99-M381 HydrophobicContact CB-CE 3.51Å; L99-M381 HydrophobicContact CB-SD 4.16Å; L99-M381 HydrophobicContact CD2-CE 4.2Å; L99-M381 HydrophobicContact CG-CE 4.36Å; I124-M381 HydrophobicContact CG2-CE 4.1Å; I124-M381 HydrophobicContact CG2-CG 3.91Å; I124-M381 WeakPolarHBondContact O-CE 3.48Å; I126-M381 HydrophobicContact CG2-CB 3.9Å; I126-M381 HydrophobicContact CG2-CE 4.19Å; I126-M381 HydrophobicContact CG2-CG 3.86Å; I126-M381 HydrophobicContact CG2-SD 3.64Å; C155-M381 WeakPolarHBondContact O-CA 3.29Å; C155-M381 WeakPolarHBondContact O-CB 3.5Å; C155-M381 PolarHBondContact O-N 3.14Å; T377-M381 WeakPolarHBondContact O-CB 3.3Å; T377-M381 PolarHBondContact O-N 3.26Å; P378-M381 PolarHBondContact O-N 2.76Å; I379-M381 VanDerWaalsContact C-N 3.34Å; I379-M381 PolarHBondContact O-N 3.38Å; M381-A384 PolarHBondContact O-N 3.33Å; M381-A385 PolarHBondContact O-N 3.18Å
382V98.3Very high96.8Very high0 Ų014.1 Ų14.10%09%0.087CC..Hα-helixtrans-68-41.3-178.4175.20000110.5V27 E30 V31 T34 P378 I379 A385 L386V27-V382 HydrophobicContact CG1-CG2 4.29Å; E30-V382 HydrophobicContact CB-CG2 4.08Å; E30-V382 HydrophobicContact CG-CB 3.92Å; E30-V382 HydrophobicContact CG-CG1 4.35Å; E30-V382 HydrophobicContact CG-CG2 3.75Å; V31-V382 HydrophobicContact CG2-CB 4.49Å; V31-V382 HydrophobicContact CG2-CG1 4.18Å; V31-V382 HydrophobicContact CG2-CG2 3.48Å; V31-V382 VanDerWaalsContact CG2-CG2 3.48Å; T34-V382 HydrophobicContact CG2-CG1 4.44Å; P378-V382 WeakPolarHBondContact O-CB 3.16Å; P378-V382 VanDerWaalsContact O-CG2 3.32Å; P378-V382 WeakPolarHBondContact O-CG2 3.24Å; P378-V382 PolarHBondContact O-N 2.83Å; I379-V382 PolarHBondContact O-N 2.61Å; V382-A385 PolarHBondContact O-N 3.36Å; V382-L386 HydrophobicContact CG1-CD1 4.01Å; V382-L386 HydrophobicContact CG1-CG 4.43Å; V382-L386 WeakPolarHBondContact O-CG 3.3Å; V382-L386 PolarHBondContact O-N 3.3Å
383Q98Very high96.7Very high1 Ų118.5 Ų18.51%0.00512%0.123CC..Hα-helixtrans-68.7-34.8177.2-63.3-42.6-5500112.6I379 T387 L413 R416 L417 H420I379-Q383 HydrophobicContact CG2-CG 4.23Å; I379-Q383 WeakPolarHBondContact O-CB 3.46Å; I379-Q383 VanDerWaalsContact O-CG 3.23Å; I379-Q383 WeakPolarHBondContact O-CG 3.49Å; I379-Q383 PolarHBondContact O-N 3.4Å; Q383-T387 WeakPolarHBondContact O-CB 3.25Å; Q383-T387 PolarHBondContact O-N 3.3Å; Q383-T387 PolarHBondContact O-OG1 3.24Å; Q383-L413 HydrophobicContact CB-CD1 4.02Å; Q383-R416 HydrophobicContact CB-CB 4.29Å; Q383-R416 HydrophobicContact CG-CB 4.44Å; Q383-R416 VanDerWaalsContact OE1-CZ 3.23Å; Q383-L417 HydrophobicContact CB-CD2 4.15Å; Q383-H420 PolarHBondContact NE2-CD2 3.1Å; Q383-H420 PolarHBondContact NE2-NE2 2.82Å; Q383-H420 VanDerWaalsContact NE2-NE2 3.16Å
384A98.6Very high96.8Very high0 Ų018.9 Ų18.90%012%0.124CC..Hα-helixtrans-60.3-46.8170.200000111.5C155 I160 A380 M381 L386 T387 M388 F408 L413C155-A384 HydrophobicContact CB-CB 4.11Å; I160-A384 HydrophobicContact CD1-CB 4.18Å; A380-A384 VanDerWaalsContact O-CB 3.27Å; A380-A384 WeakPolarHBondContact O-CB 3.18Å; A380-A384 PolarHBondContact O-N 2.91Å; M381-A384 PolarHBondContact O-N 3.33Å; A384-L386 PolarHBondContact O-N 3.36Å; A384-T387 WeakPolarHBondContact O-CB 3.22Å; A384-T387 PolarHBondContact O-N 2.95Å; A384-M388 WeakPolarHBondContact O-CB 3.44Å; A384-M388 PolarHBondContact O-N 3.35Å; A384-F408 HydrophobicContact CB-CE2 3.77Å; A384-F408 HydrophobicContact CB-CZ 3.82Å; A384-F408 WeakPolarHBondContact O-CZ 3.37Å; A384-L413 HydrophobicContact CB-CD1 4.4Å
385A97.9Very high96.8Very high0 Ų019 Ų190%013%0.126CC..Hα-helixtrans-61.9-44.6178.700000112.8L14 I97 L99 I124 M381 V382 M388 L389L14-A385 HydrophobicContact CD2-CB 3.85Å; I97-A385 HydrophobicContact CD1-CB 4.32Å; L99-A385 HydrophobicContact CD2-CB 3.67Å; I124-A385 HydrophobicContact CD1-CB 3.85Å; M381-A385 PolarHBondContact O-N 3.18Å; V382-A385 PolarHBondContact O-N 3.36Å; A385-M388 WeakPolarHBondContact O-CB 3.39Å; A385-M388 PolarHBondContact O-N 2.81Å; A385-L389 WeakPolarHBondContact O-CG 3.19Å; A385-L389 PolarHBondContact O-N 3.1Å
386L95.5Very high96.8Very high0 Ų016.9 Ų16.90%011%0.113CC..Hα-helixtrans-69.1-33.9178.1-67175000112.6T34 L43 V382 A384 M388 L389 N390 R416T34-L386 HydrophobicContact CG2-CD1 3.24Å; L43-L386 HydrophobicContact CD1-CD2 4.04Å; L43-L386 HydrophobicContact CD2-CD2 4.21Å; V382-L386 HydrophobicContact CG1-CD1 4.01Å; V382-L386 HydrophobicContact CG1-CG 4.43Å; V382-L386 WeakPolarHBondContact O-CG 3.3Å; V382-L386 PolarHBondContact O-N 3.3Å; A384-L386 PolarHBondContact O-N 3.36Å; L386-M388 VanDerWaalsContact C-N 3.33Å; L386-L389 HydrophobicContact CD2-CD1 4.29Å; L386-L389 PolarHBondContact O-N 3.37Å; L386-N390 VanDerWaalsContact O-CB 3.3Å; L386-N390 WeakPolarHBondContact O-CB 3.31Å; L386-N390 VanDerWaalsContact O-CG 3.32Å; L386-N390 PolarHBondContact O-N 3.22Å; L386-N390 PolarHBondContact O-ND2 3.23Å; L386-R416 VanDerWaalsContact CB-NH2 3.33Å; L386-R416 VanDerWaalsContact CD1-NH2 3.27Å
387T96.3Very high96.7Very high0 Ų026.7 Ų26.70%016%0.155CC..Hα-helixtrans-62-46.1171.3-54.50000110Q383 A384 L389 N390 E391 F408 T411 L413 R416Q383-T387 WeakPolarHBondContact O-CB 3.25Å; Q383-T387 PolarHBondContact O-N 3.3Å; Q383-T387 PolarHBondContact O-OG1 3.24Å; A384-T387 WeakPolarHBondContact O-CB 3.22Å; A384-T387 PolarHBondContact O-N 2.95Å; T387-L389 VanDerWaalsContact C-N 3.32Å; T387-L389 PolarHBondContact O-N 3.03Å; T387-N390 PolarHBondContact O-N 3.45Å; T387-E391 WeakPolarHBondContact O-CB 3.43Å; T387-E391 PolarHBondContact O-N 3.4Å; T387-F408 HydrophobicContact CG2-CD1 3.95Å; T387-F408 HydrophobicContact CG2-CE1 4.23Å; T387-T411 VanDerWaalsContact CG2-CB 3.47Å; T387-T411 HydrophobicContact CG2-CG2 4.03Å; T387-T411 WeakPolarHBondContact CG2-OG1 3.46Å; T387-L413 HydrophobicContact CG2-CB 4.21Å; T387-R416 VanDerWaalsContact OG1-CD 3.23Å; T387-R416 WeakPolarHBondContact OG1-CD 3.37Å
388M95.8Very high96.6Very high7 Ų733.5 Ų33.53%0.03418%0.184CC..Hα-helixtrans-62.5-38.1179.6-154-170.791.800112.7I97 H122 I124 F150 I152 A384 A385 L386 L395 F408I97-M388 HydrophobicContact CD1-CB 4.21Å; I97-M388 HydrophobicContact CD1-CE 3.31Å; I97-M388 HydrophobicContact CD1-SD 4.22Å; I97-M388 HydrophobicContact CG1-CE 3.63Å; I97-M388 HydrophobicContact CG2-CE 4.48Å; H122-M388 HydrophobicContact CB-CE 3.25Å; H122-M388 HydrophobicContact CB-SD 4.31Å; H122-M388 WeakPolarHBondContact CD2-CE 3.25Å; I124-M388 HydrophobicContact CD1-SD 4.17Å; F150-M388 HydrophobicContact CB-SD 4.16Å; I152-M388 HydrophobicContact CD1-CG 4.29Å; I152-M388 HydrophobicContact CD1-SD 3.67Å; A384-M388 WeakPolarHBondContact O-CB 3.44Å; A384-M388 PolarHBondContact O-N 3.35Å; A385-M388 WeakPolarHBondContact O-CB 3.39Å; A385-M388 PolarHBondContact O-N 2.81Å; L386-M388 VanDerWaalsContact C-N 3.33Å; M388-L395 HydrophobicContact CB-CD1 4.41Å; M388-L395 HydrophobicContact CG-CD1 3.38Å; M388-L395 HydrophobicContact CG-CD2 4.19Å; M388-L395 HydrophobicContact CG-CG 4.41Å; M388-F408 HydrophobicContact CB-CE1 4.16Å; M388-F408 HydrophobicContact CB-CZ 4.44Å
389L93.8Very high96.6Very high9 Ų933.5 Ų33.55%0.04719%0.185CC..Hα-helixtrans-68.2-39175.7-73.3172.8000113V4 H13 L14 L43 V96 I97 A385 L386 T387V4-L389 HydrophobicContact CG1-CB 4.22Å; V4-L389 HydrophobicContact CG1-CD1 4.05Å; H13-L389 HydrophobicContact CB-CD1 3.95Å; L14-L389 HydrophobicContact CD2-CD1 3.89Å; L14-L389 HydrophobicContact CG-CD1 4.34Å; L43-L389 HydrophobicContact CD1-CD1 4.33Å; V96-L389 HydrophobicContact CB-CD2 4.32Å; V96-L389 HydrophobicContact CG1-CD2 3.71Å; I97-L389 HydrophobicContact CD1-CD1 4.29Å; I97-L389 HydrophobicContact CD1-CD2 3.75Å; I97-L389 HydrophobicContact CD1-CG 3.61Å; I97-L389 HydrophobicContact CG1-CD2 4.02Å; I97-L389 HydrophobicContact CG1-CG 4.38Å; A385-L389 WeakPolarHBondContact O-CG 3.19Å; A385-L389 PolarHBondContact O-N 3.1Å; L386-L389 HydrophobicContact CD2-CD1 4.29Å; L386-L389 PolarHBondContact O-N 3.37Å; T387-L389 VanDerWaalsContact C-N 3.32Å; T387-L389 PolarHBondContact O-N 3.03Å
390N92.6Very high96.6Very high42 Ų4233 Ų3323%0.22518%0.183CC..Hα-helixtrans-95.2-20.6-169.6-70.4-24.5000114.1R3 V4 E5 L386 T387R3-N390 VanDerWaalsContact O-CG 3.25Å; R3-N390 PolarHBondContact O-ND2 3.21Å; R3-N390 PolarHBondContact O-OD1 3.23Å; V4-N390 WeakPolarHBondContact CA-OD1 3.37Å; E5-N390 PolarHBondContact N-OD1 3.37Å; L386-N390 VanDerWaalsContact O-CB 3.3Å; L386-N390 WeakPolarHBondContact O-CB 3.31Å; L386-N390 VanDerWaalsContact O-CG 3.32Å; L386-N390 PolarHBondContact O-N 3.22Å; L386-N390 PolarHBondContact O-ND2 3.23Å; T387-N390 PolarHBondContact O-N 3.45Å
391E94.8Very high96.6Very high39 Ų3933.4 Ų33.418%0.18219%0.185CC..  trans-126.346.8-176.3-60.1174-137.100112.4T387 A393 A394 T411 T412T387-E391 WeakPolarHBondContact O-CB 3.43Å; T387-E391 PolarHBondContact O-N 3.4Å; E391-A393 PolarHBondContact O-N 2.88Å; E391-A393 VanDerWaalsContact O-N 3.09Å; E391-A394 HydrophobicContact CB-CB 4.16Å; E391-A394 PolarHBondContact O-N 3.25Å; E391-T411 VanDerWaalsContact OE2-CA 3.25Å; E391-T411 WeakPolarHBondContact OE2-CA 3.48Å; E391-T411 WeakPolarHBondContact OE2-CB 3.42Å; E391-T412 WeakPolarHBondContact OE1-CB 3.38Å; E391-T412 PolarHBondContact OE1-OG1 3.47Å; E391-T412 PolarHBondContact OE2-N 3.15Å
392P93.6Very high96.6Very high83 Ų8334.7 Ų34.754%0.53919%0.19SC..G310 helixtrans-59.8-27.9-17725.9-35.3000112.7A394 L395P392-A394 VanDerWaalsContact C-N 3.27Å; P392-A394 PolarHBondContact O-N 2.97Å; P392-L395 PolarHBondContact O-N 3.1Å
393A94.9Very high96.6Very high108 Ų10834.9 Ų34.989%0.89319%0.191SC*.G310 helixtrans-71.1-18.3177.100000114.1E391E391-A393 PolarHBondContact O-N 2.88Å; E391-A393 VanDerWaalsContact O-N 3.09Å
394A96.7Very high96.6Very high28 Ų2834.8 Ų34.823%0.23119%0.191CC..G310 helixtrans-95.9-9.7179.900000113.2E391 P392 T411E391-A394 HydrophobicContact CB-CB 4.16Å; E391-A394 PolarHBondContact O-N 3.25Å; P392-A394 VanDerWaalsContact C-N 3.27Å; P392-A394 PolarHBondContact O-N 2.97Å; A394-T411 HydrophobicContact CB-CG2 3.83Å
395L97.4Very high96.6Very high11 Ų1134.8 Ų34.86%0.05819%0.191CC..SBendtrans-71.1168.4172.4-60.9177.9000111.4F150 M388 P392 F408 T411F150-L395 HydrophobicContact CD2-CD1 4.39Å; F150-L395 HydrophobicContact CE1-CB 4.08Å; F150-L395 HydrophobicContact CE2-CD1 4.28Å; F150-L395 HydrophobicContact CZ-CB 4.13Å; F150-L395 HydrophobicContact CZ-CD1 4.35Å; M388-L395 HydrophobicContact CB-CD1 4.41Å; M388-L395 HydrophobicContact CG-CD1 3.38Å; M388-L395 HydrophobicContact CG-CD2 4.19Å; M388-L395 HydrophobicContact CG-CG 4.41Å; P392-L395 PolarHBondContact O-N 3.1Å; L395-F408 HydrophobicContact CD2-CD1 4.03Å; L395-F408 HydrophobicContact CD2-CE1 3.91Å; L395-T411 HydrophobicContact CD2-CG2 4.33Å
396P97.8Very high96.6Very high5 Ų535 Ų353%0.03219%0.192CC..  trans-51145.1170.2-28.736.9000112.4F150 F265 K398 Y402F150-P396 HydrophobicContact CE1-CB 4.29Å; F150-P396 WeakPolarHBondContact CE1-O 3.45Å; F150-P396 WeakPolarHBondContact CZ-O 3.36Å; F265-P396 HydrophobicContact CE1-CG 4.32Å; F265-P396 HydrophobicContact CE2-CB 4.47Å; F265-P396 HydrophobicContact CZ-CB 3.9Å; F265-P396 HydrophobicContact CZ-CG 3.78Å; P396-K398 PolarHBondContact O-N 3.34Å; P396-Y402 HydrophobicContact CB-CE1 3.93Å; P396-Y402 HydrophobicContact CB-CE2 4.16Å; P396-Y402 HydrophobicContact CG-CD1 4.06Å; P396-Y402 HydrophobicContact CG-CD2 4.41Å; P396-Y402 HydrophobicContact CG-CE1 3.84Å; P396-Y402 HydrophobicContact CG-CE2 4.17Å; P396-Y402 HydrophobicContact CG-CG 4.35Å
397K95.2Very high96.8Very high207 Ų20735 Ų3590%0.919%0.193SC*.SBendtrans-59.3-19.9-173.3-69.3-176.9177.4177.60114.9
398K96.7Very high96.9Very high150 Ų15035 Ų3565%0.65219%0.193SC*.SBendtrans-130.3156.4-179.5-63.8-177.1-179.7179.20108.4F150 P396 Y402F150-K398 WeakPolarHBondContact CE1-O 3.24Å; P396-K398 PolarHBondContact O-N 3.34Å; K398-Y402 PolarHBondContact O-OH 2.91Å
399G98.1Very high97Very high2 Ų235.4 Ų35.42%0.02120%0.197CC..  trans-58.9172.2163.200000111.2A145 V149 Y402A145-G399 VanDerWaalsContact CA-C 3.44Å; A145-G399 WeakPolarHBondContact CA-O 3.41Å; A145-G399 WeakPolarHBondContact CB-O 3.29Å; V149-G399 CarbonylContact O-C 3.59Å; V149-G399 VanDerWaalsContact O-CA 3.25Å; V149-G399 WeakPolarHBondContact O-CA 3.29Å; G399-Y402 PolarHBondContact O-OH 3.37Å
400G98.5Very high97.2Very high2 Ų240.9 Ų40.92%0.02122%0.22CC..EExtended strand (participates in β ladder)trans153.4-173.9-174.300000111.9V149 V151 Y402V149-G400 PolarHBondContact O-N 3.25Å; V151-G400 PolarHBondContact N-O 3.42Å; G400-Y402 VanDerWaalsContact C-CE2 3.5Å
401V98.8Very high97.4Very high8 Ų840 Ų405%0.04822%0.216CC..EExtended strand (participates in β ladder)trans-109.6115.6177.6-177.20000109.6M136 Q137 V151M136-V401 HydrophobicContact CB-CG1 4.27Å; Q137-V401 HydrophobicContact CB-CB 4.2Å; Q137-V401 HydrophobicContact CB-CG1 3.95Å; Q137-V401 HydrophobicContact CG-CB 4.39Å; V151-V401 HydrophobicContact CB-CB 4.37Å; V151-V401 HydrophobicContact CB-CG1 4.36Å; V151-V401 HydrophobicContact CB-CG2 3.93Å; V151-V401 HydrophobicContact CG1-CG1 4.13Å; V151-V401 HydrophobicContact CG1-CG2 4.24Å; V151-V401 HydrophobicContact CG2-CG2 4.33Å; V151-V401 CarbonylContact O-C 3.54Å; V151-V401 VanDerWaalsContact O-CA 3.28Å; V151-V401 WeakPolarHBondContact O-CA 3.42Å
402Y98.7Very high97.6Very high27 Ų2740.8 Ų40.811%0.10622%0.224CC..EExtended strand (participates in β ladder)trans-122.4152.8-169-60.9-74.1000112.3F150 V151 I152 G153 F265 P396 K398 G399 G400 A406F150-Y402 AromaticContact CD1-CD2 3.95Å; F150-Y402 HydrophobicContact CD1-CD2 3.95Å; F150-Y402 AromaticContact CD1-CE2 3.72Å; F150-Y402 HydrophobicContact CD1-CE2 3.72Å; F150-Y402 HydrophobicContact CE1-CE2 4.02Å; V151-Y402 PolarHBondContact O-N 3.17Å; I152-Y402 WeakPolarHBondContact CA-O 3.47Å; G153-Y402 PolarHBondContact N-O 3.4Å; G153-Y402 VanDerWaalsContact N-O 3.17Å; F265-Y402 HydrophobicContact CD2-CD1 4.21Å; F265-Y402 AromaticContact CD2-CE1 3.92Å; F265-Y402 HydrophobicContact CD2-CE1 3.92Å; F265-Y402 HydrophobicContact CE2-CD1 4.04Å; F265-Y402 AromaticContact CE2-CE1 3.44Å; F265-Y402 HydrophobicContact CE2-CE1 3.44Å; F265-Y402 VanDerWaalsContact CE2-CE1 3.44Å; F265-Y402 HydrophobicContact CZ-CD1 4.46Å; F265-Y402 HydrophobicContact CZ-CE1 4.03Å; P396-Y402 HydrophobicContact CB-CE1 3.93Å; P396-Y402 HydrophobicContact CB-CE2 4.16Å; P396-Y402 HydrophobicContact CG-CD1 4.06Å; P396-Y402 HydrophobicContact CG-CD2 4.41Å; P396-Y402 HydrophobicContact CG-CE1 3.84Å; P396-Y402 HydrophobicContact CG-CE2 4.17Å; P396-Y402 HydrophobicContact CG-CG 4.35Å; K398-Y402 PolarHBondContact O-OH 2.91Å; G399-Y402 PolarHBondContact O-OH 3.37Å; G400-Y402 VanDerWaalsContact C-CE2 3.5Å; Y402-A406 HydrophobicContact CD1-CB 4.1Å
403S98.8Very high97.8Very high3 Ų336.8 Ų36.82%0.02120%0.198CC..  trans-79.9162.9158.145.90000110.2T262 G405 A406 A407T262-S403 WeakPolarHBondContact CA-OG 3.33Å; T262-S403 PolarHBondContact N-OG 3.02Å; T262-S403 VanDerWaalsContact OG1-CB 3.31Å; T262-S403 WeakPolarHBondContact OG1-CB 3.19Å; T262-S403 PolarHBondContact OG1-OG 3Å; S403-G405 PolarHBondContact O-N 3.47Å; S403-A406 PolarHBondContact O-N 3.5Å; S403-A406 WeakPolarHBondContact OG-CB 3.39Å; S403-A407 PolarHBondContact O-N 2.87Å
404P98.6Very high98Very high0 Ų032.7 Ų32.70%016%0.161CC..Hα-helixtrans-57.5-46.3-179.7-24.435000112.6G153 S154 I160 D163 A406 A407 F408G153-P404 VanDerWaalsContact O-CD 3.29Å; G153-P404 WeakPolarHBondContact O-CD 3.29Å; G153-P404 WeakPolarHBondContact O-CG 3.48Å; S154-P404 WeakPolarHBondContact O-CG 3.43Å; I160-P404 HydrophobicContact CG1-CB 3.73Å; I160-P404 HydrophobicContact CG1-CG 3.94Å; D163-P404 WeakPolarHBondContact OD2-CD 3.04Å; P404-A406 VanDerWaalsContact C-N 3.33Å; P404-A406 PolarHBondContact O-N 3.49Å; P404-A407 PolarHBondContact O-N 2.85Å; P404-F408 HydrophobicContact CB-CD2 4.32Å; P404-F408 WeakPolarHBondContact O-CB 3.48Å; P404-F408 VanDerWaalsContact O-CD2 3.27Å; P404-F408 WeakPolarHBondContact O-CD2 3.46Å; P404-F408 PolarHBondContact O-N 3.48Å
405G98.5Very high98Very high0 Ų035.4 Ų35.40%017%0.171CC..Hα-helixtrans-66.5-31.6178.800000113.5D163 S403 A409D163-G405 WeakPolarHBondContact OD2-CA 3.38Å; D163-G405 PolarHBondContact OD2-N 2.91Å; S403-G405 PolarHBondContact O-N 3.47Å; G405-A409 WeakPolarHBondContact O-CB 3.34Å; G405-A409 PolarHBondContact O-N 2.86Å
406A98.5Very high98Very high3 Ų336.1 Ų36.13%0.02517%0.174CC..Hα-helixtrans-68.3-41.6173.400000111.8T262 F265 Y402 S403 P404T262-A406 PolarHBondContact OG1-N 3.07Å; F265-A406 HydrophobicContact CB-CB 3.9Å; F265-A406 HydrophobicContact CD1-CB 3.46Å; F265-A406 VanDerWaalsContact CD1-CB 3.46Å; F265-A406 HydrophobicContact CD2-CB 4.47Å; F265-A406 HydrophobicContact CE1-CB 4.09Å; F265-A406 VanDerWaalsContact CE1-O 3.28Å; F265-A406 WeakPolarHBondContact CE1-O 3.5Å; F265-A406 HydrophobicContact CG-CB 3.68Å; Y402-A406 HydrophobicContact CD1-CB 4.1Å; S403-A406 PolarHBondContact O-N 3.5Å; S403-A406 WeakPolarHBondContact OG-CB 3.39Å; P404-A406 VanDerWaalsContact C-N 3.33Å; P404-A406 PolarHBondContact O-N 3.49Å
407A98.7Very high98Very high2 Ų235.9 Ų35.92%0.01717%0.172CC..Hα-helixtrans-76.1-40.9-178.500000113.2I152 S403 P404I152-A407 HydrophobicContact CD1-CB 3.69Å; I152-A407 HydrophobicContact CG1-CB 4.14Å; I152-A407 HydrophobicContact CG2-CB 3.97Å; S403-A407 PolarHBondContact O-N 2.87Å; P404-A407 PolarHBondContact O-N 2.85Å
408F98.8Very high98.2Very high0 Ų028 Ų280%014%0.14CC..Hα-helixtrans-1111.2-164.3-60.8-64000114.8I152 M164 A384 T387 M388 L395 P404 K410 T411 L413I152-F408 HydrophobicContact CD1-CE1 4.26Å; I152-F408 HydrophobicContact CD1-CE2 3.88Å; I152-F408 HydrophobicContact CD1-CZ 3.5Å; I152-F408 HydrophobicContact CG2-CE2 3.93Å; M164-F408 HydrophobicContact CE-CB 4.1Å; M164-F408 HydrophobicContact SD-CB 4.13Å; A384-F408 HydrophobicContact CB-CE2 3.77Å; A384-F408 HydrophobicContact CB-CZ 3.82Å; A384-F408 WeakPolarHBondContact O-CZ 3.37Å; T387-F408 HydrophobicContact CG2-CD1 3.95Å; T387-F408 HydrophobicContact CG2-CE1 4.23Å; M388-F408 HydrophobicContact CB-CE1 4.16Å; M388-F408 HydrophobicContact CB-CZ 4.44Å; L395-F408 HydrophobicContact CD2-CD1 4.03Å; L395-F408 HydrophobicContact CD2-CE1 3.91Å; P404-F408 HydrophobicContact CB-CD2 4.32Å; P404-F408 WeakPolarHBondContact O-CB 3.48Å; P404-F408 VanDerWaalsContact O-CD2 3.27Å; P404-F408 WeakPolarHBondContact O-CD2 3.46Å; P404-F408 PolarHBondContact O-N 3.48Å; F408-K410 PolarHBondContact O-N 2.82Å; F408-T411 WeakPolarHBondContact CA-OG1 3.39Å; F408-T411 HydrophobicContact CB-CG2 4.43Å; F408-T411 WeakPolarHBondContact CB-OG1 3.36Å; F408-T411 HydrophobicContact CD1-CG2 4.1Å; F408-T411 PolarHBondContact O-N 3Å; F408-T411 PolarHBondContact O-OG1 3.23Å; F408-L413 HydrophobicContact CB-CB 4.12Å; F408-L413 HydrophobicContact CB-CD2 3.65Å; F408-L413 HydrophobicContact CD1-CD2 4.31Å; F408-L413 HydrophobicContact CD2-CD2 3.58Å; F408-L413 HydrophobicContact CE2-CD2 4.28Å; F408-L413 HydrophobicContact CG-CB 4.45Å; F408-L413 HydrophobicContact CG-CD2 3.6Å
409A97.8Very high98.2Very high14 Ų1428.9 Ų28.912%0.11614%0.143CC..THydrogen-bonded Turntrans-58.8-18.1-177.200000115.6I167 L266 G405I167-A409 HydrophobicContact CD1-CB 4.09Å; I167-A409 HydrophobicContact CG1-CB 4.35Å; I167-A409 HydrophobicContact CG2-CB 4.08Å; L266-A409 HydrophobicContact CD2-CB 4.22Å; G405-A409 WeakPolarHBondContact O-CB 3.34Å; G405-A409 PolarHBondContact O-N 2.86Å
410K97.5Very high98.1Very high125 Ų12530.3 Ų30.354%0.54315%0.15SC..THydrogen-bonded Turntrans-113.317.2178.8-61.1-175.3179.1175.30113.1Y270 F408Y270-K410 VanDerWaalsContact CE1-NZ 3.35Å; Y270-K410 HydrophobicContact CE2-CD 4.28Å; F408-K410 PolarHBondContact O-N 2.82Å
411T98.1Very high98Very high22 Ų2232 Ų3214%0.13517%0.166CC..SBendtrans-113.8172-174.171.50000111.8T387 E391 A394 L395 F408 L413T387-T411 VanDerWaalsContact CG2-CB 3.47Å; T387-T411 HydrophobicContact CG2-CG2 4.03Å; T387-T411 WeakPolarHBondContact CG2-OG1 3.46Å; E391-T411 VanDerWaalsContact OE2-CA 3.25Å; E391-T411 WeakPolarHBondContact OE2-CA 3.48Å; E391-T411 WeakPolarHBondContact OE2-CB 3.42Å; A394-T411 HydrophobicContact CB-CG2 3.83Å; L395-T411 HydrophobicContact CD2-CG2 4.33Å; F408-T411 WeakPolarHBondContact CA-OG1 3.39Å; F408-T411 HydrophobicContact CB-CG2 4.43Å; F408-T411 WeakPolarHBondContact CB-OG1 3.36Å; F408-T411 HydrophobicContact CD1-CG2 4.1Å; F408-T411 PolarHBondContact O-N 3Å; F408-T411 PolarHBondContact O-OG1 3.23Å; T411-L413 PolarHBondContact O-N 2.76Å; T411-L413 PolarHBondContact OG1-N 3.45Å
412T97.4Very high98Very high56 Ų5631.6 Ų31.634%0.34416%0.164SC..SBendtrans-83.515.3174.978.50000114.4E391 I414 D415 R416E391-T412 WeakPolarHBondContact OE1-CB 3.38Å; E391-T412 PolarHBondContact OE1-OG1 3.47Å; E391-T412 PolarHBondContact OE2-N 3.15Å; T412-I414 VanDerWaalsContact C-N 3.28Å; T412-I414 PolarHBondContact O-N 2.9Å; T412-D415 WeakPolarHBondContact O-CB 3.4Å; T412-D415 PolarHBondContact O-N 3.41Å; T412-R416 PolarHBondContact O-N 2.95Å
413L98.5Very high98Very high0 Ų034.6 Ų34.60%018%0.18CC..Hα-helixtrans-51.9-44.7-177.3178.458.2000112.5I160 M164 Q383 A384 T387 F408 T411 D415 R416 L417I160-L413 HydrophobicContact CD1-CD2 4.44Å; M164-L413 HydrophobicContact CE-CD2 4.44Å; M164-L413 HydrophobicContact CG-CD2 4.33Å; M164-L413 HydrophobicContact SD-CD2 4.42Å; Q383-L413 HydrophobicContact CB-CD1 4.02Å; A384-L413 HydrophobicContact CB-CD1 4.4Å; T387-L413 HydrophobicContact CG2-CB 4.21Å; F408-L413 HydrophobicContact CB-CB 4.12Å; F408-L413 HydrophobicContact CB-CD2 3.65Å; F408-L413 HydrophobicContact CD1-CD2 4.31Å; F408-L413 HydrophobicContact CD2-CD2 3.58Å; F408-L413 HydrophobicContact CE2-CD2 4.28Å; F408-L413 HydrophobicContact CG-CB 4.45Å; F408-L413 HydrophobicContact CG-CD2 3.6Å; T411-L413 PolarHBondContact O-N 2.76Å; T411-L413 PolarHBondContact OG1-N 3.45Å; L413-D415 VanDerWaalsContact C-N 3.33Å; L413-D415 PolarHBondContact O-N 3.07Å; L413-R416 WeakPolarHBondContact O-CB 3.44Å; L413-R416 PolarHBondContact O-N 3.38Å; L413-L417 HydrophobicContact CD1-CD1 4.21Å; L413-L417 HydrophobicContact CD1-CD2 4.38Å; L413-L417 HydrophobicContact CD1-CG 4.03Å; L413-L417 HydrophobicContact CG-CD1 3.94Å; L413-L417 HydrophobicContact CG-CG 4.24Å; L413-L417 VanDerWaalsContact O-CG 3.25Å; L413-L417 WeakPolarHBondContact O-CG 3.44Å; L413-L417 PolarHBondContact O-N 3.49Å
414I98.6Very high98Very high21 Ų2135 Ų3511%0.10818%0.181CC..Hα-helixtrans-59.8-42.7178.3-70.6164.4000111.4M164 Y168 T412 R416 L417 N418 F424M164-I414 HydrophobicContact CB-CG1 4.32Å; M164-I414 HydrophobicContact CE-CD1 3.87Å; M164-I414 HydrophobicContact CE-CG1 3.85Å; Y168-I414 HydrophobicContact CD2-CD1 4.23Å; Y168-I414 HydrophobicContact CD2-CG2 4.11Å; T412-I414 VanDerWaalsContact C-N 3.28Å; T412-I414 PolarHBondContact O-N 2.9Å; I414-R416 VanDerWaalsContact C-N 3.3Å; I414-R416 PolarHBondContact O-N 3.42Å; I414-L417 PolarHBondContact O-N 3.08Å; I414-N418 WeakPolarHBondContact O-CB 3.25Å; I414-N418 PolarHBondContact O-N 3.46Å; I414-N418 PolarHBondContact O-ND2 3.04Å; I414-F424 HydrophobicContact CG1-CD1 4.46Å; I414-F424 HydrophobicContact CG1-CE1 4.3Å; I414-F424 HydrophobicContact CG1-CZ 4.38Å; I414-F424 HydrophobicContact CG2-CB 3.98Å; I414-F424 HydrophobicContact CG2-CD1 4.21Å; I414-F424 HydrophobicContact CG2-CD2 3.89Å; I414-F424 HydrophobicContact CG2-CE2 4.45Å; I414-F424 HydrophobicContact CG2-CG 3.78Å
415D97.9Very high98Very high85 Ų8536.7 Ų36.746%0.45519%0.193SC..Hα-helixtrans-65.4-35.4178.3-64.1-31.9000112.1T412 L413 K419T412-D415 WeakPolarHBondContact O-CB 3.4Å; T412-D415 PolarHBondContact O-N 3.41Å; L413-D415 VanDerWaalsContact C-N 3.33Å; L413-D415 PolarHBondContact O-N 3.07Å; D415-K419 VanDerWaalsContact O-CG 3.31Å; D415-K419 WeakPolarHBondContact O-CG 3.36Å; D415-K419 PolarHBondContact O-N 2.89Å; D415-K419 VanDerWaalsContact O-N 3.16Å
416R96.3Very high97.9Very high27 Ų2740.1 Ų40.110%0.10221%0.214CC..Hα-helixtrans-68.7-43.3175.1-63.2-179.267.7909.4111.7Q383 L386 T387 T412 L413 I414 K419 H420Q383-R416 HydrophobicContact CB-CB 4.29Å; Q383-R416 HydrophobicContact CG-CB 4.44Å; Q383-R416 VanDerWaalsContact OE1-CZ 3.23Å; L386-R416 VanDerWaalsContact CB-NH2 3.33Å; L386-R416 VanDerWaalsContact CD1-NH2 3.27Å; T387-R416 VanDerWaalsContact OG1-CD 3.23Å; T387-R416 WeakPolarHBondContact OG1-CD 3.37Å; T412-R416 PolarHBondContact O-N 2.95Å; L413-R416 WeakPolarHBondContact O-CB 3.44Å; L413-R416 PolarHBondContact O-N 3.38Å; I414-R416 VanDerWaalsContact C-N 3.3Å; I414-R416 PolarHBondContact O-N 3.42Å; R416-K419 PolarHBondContact O-N 2.86Å; R416-H420 PolarHBondContact O-N 3.28Å
417L98.4Very high97.7Very high0 Ų045.2 Ų45.20%024%0.24CC..Hα-helixtrans-60.2-44.9175.3-68.7172.8000111.2I160 I379 A380 Q383 L413 I414 K419 H420 G421 I422 F424I160-L417 HydrophobicContact CG2-CD1 3.64Å; I379-L417 HydrophobicContact CG2-CD2 4.43Å; A380-L417 HydrophobicContact CB-CD2 4.3Å; Q383-L417 HydrophobicContact CB-CD2 4.15Å; L413-L417 HydrophobicContact CD1-CD1 4.21Å; L413-L417 HydrophobicContact CD1-CD2 4.38Å; L413-L417 HydrophobicContact CD1-CG 4.03Å; L413-L417 HydrophobicContact CG-CD1 3.94Å; L413-L417 HydrophobicContact CG-CG 4.24Å; L413-L417 VanDerWaalsContact O-CG 3.25Å; L413-L417 WeakPolarHBondContact O-CG 3.44Å; L413-L417 PolarHBondContact O-N 3.49Å; I414-L417 PolarHBondContact O-N 3.08Å; L417-K419 VanDerWaalsContact C-N 3.31Å; L417-K419 PolarHBondContact O-N 3.33Å; L417-H420 CarbonylContact O-C 3.58Å; L417-H420 PolarHBondContact O-N 3.46Å; L417-G421 PolarHBondContact O-N 3.16Å; L417-I422 CarbonylContact C-O 3.34Å; L417-I422 HydrophobicContact CB-CB 4.09Å; L417-I422 HydrophobicContact CB-CG2 4.36Å; L417-I422 HydrophobicContact CD2-CD1 3.99Å; L417-I422 PolarHBondContact O-N 3.3Å; L417-F424 HydrophobicContact CB-CE2 4Å; L417-F424 HydrophobicContact CD1-CE2 3.81Å; L417-F424 HydrophobicContact CD1-CZ 4.06Å
418N98.4Very high97.6Very high42 Ų4247.4 Ų47.423%0.22525%0.251CS..Hα-helixtrans-55.4-45.9174.9-78.5-26.9000111.7I414 H420 G421 I422 M423 F424I414-N418 WeakPolarHBondContact O-CB 3.25Å; I414-N418 PolarHBondContact O-N 3.46Å; I414-N418 PolarHBondContact O-ND2 3.04Å; N418-H420 PolarHBondContact O-N 3.09Å; N418-H420 VanDerWaalsContact O-N 3.16Å; N418-G421 PolarHBondContact O-N 3.43Å; N418-I422 WeakPolarHBondContact CA-O 3.04Å; N418-I422 PolarHBondContact N-O 3.35Å; N418-I422 VanDerWaalsContact N-O 3.16Å; N418-I422 PolarHBondContact OD1-O 3.48Å; N418-M423 VanDerWaalsContact OD1-CA 3.29Å; N418-M423 WeakPolarHBondContact OD1-CA 3.49Å; N418-F424 PolarHBondContact OD1-N 3.1Å
419K96.4Very high97.6Very high167 Ų16749.8 Ų49.873%0.72626%0.264SS*.THydrogen-bonded Turntrans-65.9-14178.1-72.8169.6-1751690113.7D415 R416 L417D415-K419 VanDerWaalsContact O-CG 3.31Å; D415-K419 WeakPolarHBondContact O-CG 3.36Å; D415-K419 PolarHBondContact O-N 2.89Å; D415-K419 VanDerWaalsContact O-N 3.16Å; R416-K419 PolarHBondContact O-N 2.86Å; L417-K419 VanDerWaalsContact C-N 3.31Å; L417-K419 PolarHBondContact O-N 3.33Å
420H96.5Very high97.6Very high33 Ų3351.8 Ų51.815%0.15327%0.273CS..THydrogen-bonded Turntrans-119.924.7-178.6-64.73000112.1E37 I379 Q383 R416 L417 N418E37-H420 IonicContact OE1-CE1 2.84Å; E37-H420 IonicContact OE1-NE2 3.21Å; E37-H420 IonicContact OE2-CE1 3.14Å; E37-H420 PolarHBondContact OE2-CE1 3.39Å; E37-H420 IonicContact OE2-NE2 3.96Å; I379-H420 WeakPolarHBondContact CD1-O 3.26Å; I379-H420 HydrophobicContact CG2-CB 3.64Å; Q383-H420 PolarHBondContact NE2-CD2 3.1Å; Q383-H420 PolarHBondContact NE2-NE2 2.82Å; Q383-H420 VanDerWaalsContact NE2-NE2 3.16Å; R416-H420 PolarHBondContact O-N 3.28Å; L417-H420 CarbonylContact O-C 3.58Å; L417-H420 PolarHBondContact O-N 3.46Å; N418-H420 PolarHBondContact O-N 3.09Å; N418-H420 VanDerWaalsContact O-N 3.16Å
421G96.9Very high97.6Very high36 Ų3647.5 Ų47.537%0.37126%0.257SS..THydrogen-bonded Turntrans85.56167.800000115.6G369 P370 L417 N418G369-G421 VanDerWaalsContact CA-O 3.3Å; G369-G421 WeakPolarHBondContact CA-O 3.35Å; P370-G421 WeakPolarHBondContact CD-O 3.36Å; L417-G421 PolarHBondContact O-N 3.16Å; N418-G421 PolarHBondContact O-N 3.43Å
422I98.6Very high97.5Very high1 Ų149.1 Ų49.11%0.00526%0.264CS..  trans-99.893.4165.4-61.4171.1000107.4F339 I367 Q368 A376 I379 A380 L417 N418 F424F339-I422 HydrophobicContact CZ-CG2 4.18Å; I367-I422 HydrophobicContact CG2-CG2 4.15Å; Q368-I422 CarbonylContact O-C 3.52Å; A376-I422 HydrophobicContact CB-CD1 3.96Å; A376-I422 HydrophobicContact CB-CG1 4.29Å; A376-I422 WeakPolarHBondContact O-CD1 3.32Å; I379-I422 HydrophobicContact CB-CD1 4.1Å; I379-I422 HydrophobicContact CG2-CD1 3.78Å; I379-I422 HydrophobicContact CG2-CG1 4.34Å; A380-I422 HydrophobicContact CB-CD1 4.3Å; L417-I422 CarbonylContact C-O 3.34Å; L417-I422 HydrophobicContact CB-CB 4.09Å; L417-I422 HydrophobicContact CB-CG2 4.36Å; L417-I422 HydrophobicContact CD2-CD1 3.99Å; L417-I422 PolarHBondContact O-N 3.3Å; N418-I422 WeakPolarHBondContact CA-O 3.04Å; N418-I422 PolarHBondContact N-O 3.35Å; N418-I422 VanDerWaalsContact N-O 3.16Å; N418-I422 PolarHBondContact OD1-O 3.48Å; I422-F424 HydrophobicContact CG2-CE2 3.84Å; I422-F424 WeakPolarHBondContact O-CD2 3.46Å
423M98.6Very high97.6Very high89 Ų8948.7 Ų48.744%0.43826%0.259SS..EExtended strand (participates in β ladder)trans-92.4123.7-166.3-65.6-79.4-70.200111.7I367 Q368 N418I367-M423 CarbonylContact C-O 3.59Å; I367-M423 WeakPolarHBondContact CA-O 3.33Å; Q368-M423 HydrophobicContact CG-CB 4.01Å; Q368-M423 PolarHBondContact N-O 3.41Å; Q368-M423 PolarHBondContact O-N 3.29Å; N418-M423 VanDerWaalsContact OD1-CA 3.29Å; N418-M423 WeakPolarHBondContact OD1-CA 3.49Å
424F98.7Very high97.5Very high11 Ų1152.1 Ų52.15%0.04828%0.277CS..EExtended strand (participates in β ladder)trans-103.6129.4172.6-67.2-110.5000109.4M164 Y168 L366 I367 I414 L417 N418 I422M164-F424 HydrophobicContact CB-CE1 4.08Å; M164-F424 HydrophobicContact CB-CZ 4.11Å; Y168-F424 HydrophobicContact CD1-CB 4.16Å; Y168-F424 HydrophobicContact CD1-CD1 4.19Å; Y168-F424 HydrophobicContact CD2-CB 4.06Å; Y168-F424 HydrophobicContact CD2-CD1 4.33Å; Y168-F424 HydrophobicContact CE1-CB 4.1Å; Y168-F424 HydrophobicContact CE2-CB 3.99Å; Y168-F424 HydrophobicContact CG-CB 4.13Å; Y168-F424 AromaticContact CG-CD1 3.85Å; Y168-F424 HydrophobicContact CG-CD1 3.85Å; Y168-F424 HydrophobicContact CG-CG 4.44Å; L366-F424 CarbonylContact O-C 3.45Å; L366-F424 WeakPolarHBondContact O-CA 3.47Å; I367-F424 HydrophobicContact CD1-CD1 4.08Å; I367-F424 HydrophobicContact CD1-CE1 4.44Å; I367-F424 HydrophobicContact CG1-CD1 3.39Å; I367-F424 HydrophobicContact CG1-CE1 3.52Å; I367-F424 HydrophobicContact CG1-CG 3.97Å; I367-F424 HydrophobicContact CG1-CZ 4.21Å; I367-F424 HydrophobicContact CG2-CD1 4.46Å; I367-F424 HydrophobicContact CG2-CD2 4.42Å; I367-F424 HydrophobicContact CG2-CE1 4.19Å; I367-F424 HydrophobicContact CG2-CE2 4.17Å; I367-F424 HydrophobicContact CG2-CZ 4.04Å; I414-F424 HydrophobicContact CG1-CD1 4.46Å; I414-F424 HydrophobicContact CG1-CE1 4.3Å; I414-F424 HydrophobicContact CG1-CZ 4.38Å; I414-F424 HydrophobicContact CG2-CB 3.98Å; I414-F424 HydrophobicContact CG2-CD1 4.21Å; I414-F424 HydrophobicContact CG2-CD2 3.89Å; I414-F424 HydrophobicContact CG2-CE2 4.45Å; I414-F424 HydrophobicContact CG2-CG 3.78Å; L417-F424 HydrophobicContact CB-CE2 4Å; L417-F424 HydrophobicContact CD1-CE2 3.81Å; L417-F424 HydrophobicContact CD1-CZ 4.06Å; N418-F424 PolarHBondContact OD1-N 3.1Å; I422-F424 HydrophobicContact CG2-CE2 3.84Å; I422-F424 WeakPolarHBondContact O-CD2 3.46Å
425S98.5Very high97.4Very high36 Ų3654.5 Ų54.525%0.25229%0.29SS..EExtended strand (participates in β ladder)trans-150.1152-178.154.70000112.6Y168 T365 L366Y168-S425 WeakPolarHBondContact OH-CA 3.44Å; T365-S425 CarbonylContact C-O 3.58Å; T365-S425 WeakPolarHBondContact CA-O 3.48Å; T365-S425 VanDerWaalsContact CB-O 3.28Å; T365-S425 WeakPolarHBondContact CB-O 3.27Å; L366-S425 PolarHBondContact N-O 3.34Å; L366-S425 PolarHBondContact O-N 3.19Å; L366-S425 PolarHBondContact O-OG 2.95Å
426V97.8Very high97.4Very high73 Ų7352 Ų5244%0.44228%0.277SS..EExtended strand (participates in β ladder)trans-88.7137.4165.8-175.60000107.9Y168 Q172 I363 T365Y168-V426 HydrophobicContact CE1-CG2 4.32Å; Q172-V426 HydrophobicContact CB-CG2 3.76Å; Q172-V426 HydrophobicContact CG-CG2 3.69Å; I363-V426 HydrophobicContact CD1-CG1 4.28Å; I363-V426 HydrophobicContact CD1-CG2 4.45Å; I363-V426 HydrophobicContact CG1-CG1 4.19Å; T365-V426 HydrophobicContact CG2-CG2 4.25Å
427I93.3Very high97.5Very high109 Ų10954.3 Ų54.356%0.55929%0.293SS*.  trans-130.90-176.257.3163.7000113.9R364 L366R364-I427 HydrophobicContact CB-CD1 4.49Å; R364-I427 HydrophobicContact CB-CG1 3.9Å; R364-I427 HydrophobicContact CG-CD1 3.64Å; R364-I427 HydrophobicContact CG-CG1 3.57Å; R364-I427 VanDerWaalsContact NE-CD1 3.29Å; R364-I427 PolarHBondContact O-N 2.71Å; L366-I427 HydrophobicContact CB-CD1 3.94Å; L366-I427 HydrophobicContact CB-CG1 4.22Å; L366-I427 HydrophobicContact CB-CG2 3.91Å; L366-I427 HydrophobicContact CD2-CG2 4.21Å

Retrieved 427 of 427 residues in 261.3 ms (Link to these results)

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