A0A3Q0KLW0_SCHMA Loading...

MAGUK homolog AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KLW0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 766 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
1M35Very low69.5Low251 Ų251106.3 Ų106.3100%1.23659%0.586SS**  094.60-73.5-175.8164.700107.3
2S38Very low71.8Confident112 Ų11297.6 Ų97.678%0.78354%0.538SS*.  trans-135.9118.7-177.549.90000109
3E41.1Very low73.7Confident196 Ų19698.1 Ų98.192%0.91653%0.534SS*.SBendtrans4569.1152.2-64.7-178.8166.500119.2
4S51.1Low75.2Confident98 Ų9894.5 Ų94.569%0.68551%0.514SS*.  169.2126124.449.10000107A6S4-A6 PolarHBondContact O-N 3.11Å
5D63.5Low76.3Confident175 Ų17591.3 Ų91.394%0.93649%0.494SS*.  trans-69.635.6170.1-70.2-34.8000111L7D5-L7 PolarHBondContact O-N 3.34Å
6A78.4Confident77Confident29 Ų2991.3 Ų91.324%0.2449%0.49CS..  trans-67.7122.217400000107.4S4 V11 Y81S4-A6 PolarHBondContact O-N 3.11Å; A6-V11 HydrophobicContact CB-CG2 3.66Å; A6-Y81 WeakPolarHBondContact O-CD1 3.28Å; A6-Y81 WeakPolarHBondContact O-CE1 3.33Å
7L88.1Confident77.3Confident96 Ų9692.1 Ų92.150%0.50349%0.492SS..  trans-69155.2174.1-62.4173.2000108.6D5 D9 D10 V11D5-L7 PolarHBondContact O-N 3.34Å; L7-D9 PolarHBondContact O-N 2.67Å; L7-D9 VanDerWaalsContact O-N 3.17Å; L7-D10 WeakPolarHBondContact CB-OD2 3.25Å; L7-D10 PolarHBondContact N-OD2 3Å; L7-D10 VanDerWaalsContact N-OD2 3.12Å; L7-D10 WeakPolarHBondContact O-CB 3.42Å; L7-D10 PolarHBondContact O-N 3.35Å; L7-V11 PolarHBondContact O-N 3.24Å
8F92.2Very high77.5Confident1 Ų191.3 Ų91.30%0.00449%0.487CS..Hα-helixtrans-50-43.8176.1165.3-94.8000111.3D10 V11 Y12 L14 V40 Y81 Y88 I90F8-D10 PolarHBondContact O-N 2.83Å; F8-V11 PolarHBondContact O-N 2.95Å; F8-V11 VanDerWaalsContact O-N 3.17Å; F8-Y12 HydrophobicContact CD2-CD2 4.12Å; F8-Y12 HydrophobicContact CD2-CG 4.38Å; F8-Y12 HydrophobicContact CE2-CD2 4.12Å; F8-Y12 AromaticContact CE2-CG 3.94Å; F8-Y12 HydrophobicContact CE2-CG 3.94Å; F8-Y12 PolarHBondContact O-N 3.45Å; F8-L14 HydrophobicContact CE1-CD1 3.74Å; F8-L14 HydrophobicContact CE1-CD2 3.83Å; F8-L14 HydrophobicContact CE1-CG 3.59Å; F8-L14 HydrophobicContact CZ-CD1 4.29Å; F8-L14 HydrophobicContact CZ-CD2 3.49Å; F8-L14 VanDerWaalsContact CZ-CD2 3.49Å; F8-L14 HydrophobicContact CZ-CG 3.72Å; F8-V40 HydrophobicContact CE2-CB 4.38Å; F8-V40 HydrophobicContact CE2-CG1 4.46Å; F8-V40 HydrophobicContact CE2-CG2 3.98Å; F8-V40 HydrophobicContact CZ-CG1 4.25Å; F8-V40 HydrophobicContact CZ-CG2 4.39Å; F8-Y81 HydrophobicContact CB-CD1 4.3Å; F8-Y81 HydrophobicContact CB-CD2 4.44Å; F8-Y81 HydrophobicContact CB-CG 3.99Å; F8-Y81 HydrophobicContact CD2-CD2 4.22Å; F8-Y88 HydrophobicContact CB-CD1 4.25Å; F8-Y88 HydrophobicContact CB-CD2 4.2Å; F8-Y88 HydrophobicContact CB-CE1 4.46Å; F8-Y88 HydrophobicContact CB-CE2 4.42Å; F8-Y88 HydrophobicContact CB-CG 4.13Å; F8-Y88 AromaticContact CD1-CD1 3.63Å; F8-Y88 HydrophobicContact CD1-CD1 3.63Å; F8-Y88 AromaticContact CD1-CE1 3.49Å; F8-Y88 HydrophobicContact CD1-CE1 3.49Å; F8-Y88 VanDerWaalsContact CD1-CE1 3.49Å; F8-Y88 HydrophobicContact CD1-CG 4.35Å; F8-Y88 AromaticContact CD2-CD1 3.74Å; F8-Y88 HydrophobicContact CD2-CD1 3.74Å; F8-Y88 HydrophobicContact CD2-CE1 4.45Å; F8-Y88 AromaticContact CD2-CG 3.97Å; F8-Y88 HydrophobicContact CD2-CG 3.97Å; F8-Y88 AromaticContact CE1-CD1 3.91Å; F8-Y88 HydrophobicContact CE1-CD1 3.91Å; F8-Y88 AromaticContact CE1-CE1 3.82Å; F8-Y88 HydrophobicContact CE1-CE1 3.82Å; F8-Y88 AromaticContact CE2-CD1 3.99Å; F8-Y88 HydrophobicContact CE2-CD1 3.99Å; F8-Y88 AromaticContact CG-CD1 3.56Å; F8-Y88 HydrophobicContact CG-CD1 3.56Å; F8-Y88 HydrophobicContact CG-CD2 4.37Å; F8-Y88 AromaticContact CG-CE1 3.86Å; F8-Y88 HydrophobicContact CG-CE1 3.86Å; F8-Y88 AromaticContact CG-CG 3.86Å; F8-Y88 HydrophobicContact CG-CG 3.86Å; F8-Y88 HydrophobicContact CZ-CD1 4.09Å; F8-Y88 HydrophobicContact CZ-CE1 4.42Å; F8-I90 HydrophobicContact CD2-CD1 4.01Å; F8-I90 HydrophobicContact CE2-CD1 3.65Å
9D91.1Very high77.3Confident85 Ų8587.7 Ų87.746%0.45548%0.475SS..Hα-helixtrans-68.8-16.7-179.6-67.6-34.5000113.9L7 K32L7-D9 PolarHBondContact O-N 2.67Å; L7-D9 VanDerWaalsContact O-N 3.17Å; D9-K32 PolarHBondContact O-NZ 3.08Å
10D92Very high76.7Confident101 Ų10189.4 Ų89.454%0.5448%0.477SS..Hα-helixtrans-79.4-29174.5-64.9-39.3000111.6L7 F8L7-D10 WeakPolarHBondContact CB-OD2 3.25Å; L7-D10 PolarHBondContact N-OD2 3Å; L7-D10 VanDerWaalsContact N-OD2 3.12Å; L7-D10 WeakPolarHBondContact O-CB 3.42Å; L7-D10 PolarHBondContact O-N 3.35Å; F8-D10 PolarHBondContact O-N 2.83Å
11V94.7Very high76Confident25 Ų2586.2 Ų86.215%0.15247%0.466CS..Hα-helixtrans-102.4-36.6-171.6-174.40000112.2A6 L7 F8 R31 K32 Y81A6-V11 HydrophobicContact CB-CG2 3.66Å; L7-V11 PolarHBondContact O-N 3.24Å; F8-V11 PolarHBondContact O-N 2.95Å; F8-V11 VanDerWaalsContact O-N 3.17Å; V11-R31 HydrophobicContact CG1-CG 4.06Å; V11-K32 PolarHBondContact O-N 2.76Å; V11-Y81 HydrophobicContact CG2-CE1 4.34Å
12Y96.4Very high77.3Confident2 Ų276 Ų761%0.00842%0.418CS..EExtended strand (participates in β ladder)trans-119.2148.8-172.6-71.8-84.9000112.3F8 C29 T30 R31 K32 Y38 E79 Y81 I90F8-Y12 HydrophobicContact CD2-CD2 4.12Å; F8-Y12 HydrophobicContact CD2-CG 4.38Å; F8-Y12 HydrophobicContact CE2-CD2 4.12Å; F8-Y12 AromaticContact CE2-CG 3.94Å; F8-Y12 HydrophobicContact CE2-CG 3.94Å; F8-Y12 PolarHBondContact O-N 3.45Å; Y12-C29 HydrophobicContact CD1-CB 4.44Å; Y12-T30 WeakPolarHBondContact CA-O 3.25Å; Y12-R31 HydrophobicContact CD1-CB 4.07Å; Y12-R31 HydrophobicContact CD1-CG 4.38Å; Y12-R31 HydrophobicContact CE1-CB 3.64Å; Y12-R31 HydrophobicContact CE1-CG 3.84Å; Y12-K32 WeakPolarHBondContact O-CE 3.35Å; Y12-Y38 AromaticContact CE1-CD2 3.65Å; Y12-Y38 HydrophobicContact CE1-CD2 3.65Å; Y12-Y38 HydrophobicContact CE1-CE2 4.15Å; Y12-Y38 HydrophobicContact CE1-CG 4.21Å; Y12-E79 PolarHBondContact OH-OE1 2.92Å; Y12-Y81 HydrophobicContact CD2-CE2 4.12Å; Y12-Y81 AromaticContact CE2-CE2 3.78Å; Y12-Y81 HydrophobicContact CE2-CE2 3.78Å; Y12-I90 HydrophobicContact CD2-CD1 4.34Å; Y12-I90 HydrophobicContact CE1-CG2 4.02Å; Y12-I90 HydrophobicContact CE2-CD1 4.36Å; Y12-I90 HydrophobicContact CE2-CG1 4.09Å
13E96.1Very high78.8Confident104 Ų10472.1 Ų72.149%0.48639%0.387SS..EExtended strand (participates in β ladder)trans-110.7126.2169.6-177.8177.2-170.900109.2H15 C29 T30 K32E13-H15 PolarHBondContact O-CD2 3.38Å; E13-C29 CarbonylContact O-C 3.41Å; E13-C29 WeakPolarHBondContact O-CA 3.23Å; E13-C29 VanDerWaalsContact O-CB 3.31Å; E13-C29 WeakPolarHBondContact O-CB 3.43Å; E13-T30 PolarHBondContact N-O 2.94Å; E13-T30 PolarHBondContact O-N 2.89Å; E13-K32 HydrophobicContact CB-CG 4.43Å
14L94.7Very high80.5Confident48 Ų4863.6 Ų63.625%0.25135%0.349SS..EExtended strand (participates in β ladder)trans-83.5132.7-179.8-74.3173.1000111.9F8 R27 C29 V40 I42F8-L14 HydrophobicContact CE1-CD1 3.74Å; F8-L14 HydrophobicContact CE1-CD2 3.83Å; F8-L14 HydrophobicContact CE1-CG 3.59Å; F8-L14 HydrophobicContact CZ-CD1 4.29Å; F8-L14 HydrophobicContact CZ-CD2 3.49Å; F8-L14 VanDerWaalsContact CZ-CD2 3.49Å; F8-L14 HydrophobicContact CZ-CG 3.72Å; L14-R27 HydrophobicContact CD2-CB 4.1Å; L14-C29 HydrophobicContact CD2-CB 4.29Å; L14-V40 HydrophobicContact CD2-CG1 3.47Å; L14-V40 VanDerWaalsContact CD2-CG1 3.47Å; L14-I42 HydrophobicContact CD1-CD1 4.21Å; L14-I42 HydrophobicContact CD2-CD1 4.03Å
15H93.1Very high82Confident47 Ų4760.6 Ų60.622%0.21833%0.327CS..EExtended strand (participates in β ladder)trans-113.1-148175.4-60.2-80.5000111.1E13 R27 R28 T30E13-H15 PolarHBondContact O-CD2 3.38Å; H15-R27 PolarHBondContact O-NE 2.88Å; H15-R27 PolarHBondContact O-NH2 3.15Å; H15-R28 WeakPolarHBondContact CA-O 3.44Å; H15-R28 HydrophobicContact CB-CB 4.26Å; H15-R28 VanDerWaalsContact CB-NH2 3.32Å; H15-R28 WeakPolarHBondContact CB-O 3.3Å; H15-R28 VanDerWaalsContact CG-NH2 3.31Å; H15-R28 PolarHBondContact N-O 2.84Å; H15-T30 WeakPolarHBondContact NE2-CG2 3.34Å; H15-T30 PolarHBondContact NE2-OG1 2.84Å
16E87.6Confident83.1Confident91 Ų9154.5 Ų54.543%0.42529%0.294SS..EExtended strand (participates in β ladder)trans-63.6155.3-17672.8-77178.800113.9I18 R27 R28E16-I18 HydrophobicContact CG-CG2 4.27Å; E16-R27 WeakPolarHBondContact O-CA 3.34Å; E16-R28 VanDerWaalsContact CD-NE 3.33Å; E16-R28 PolarHBondContact O-N 3.03Å; E16-R28 WeakPolarHBondContact OE1-CD 3.39Å; E16-R28 IonicContact OE1-CZ 2.64Å; E16-R28 IonicContact OE1-NE 3.82Å; E16-R28 PolarHBondContact OE1-NE 3.42Å; E16-R28 IonicContact OE1-NH2 2.81Å; E16-R28 IonicContact OE2-CZ 2.73Å; E16-R28 IonicContact OE2-NE 3.6Å; E16-R28 PolarHBondContact OE2-NE 3.24Å; E16-R28 IonicContact OE2-NH2 3.62Å; E16-R28 PolarHBondContact OE2-NH2 2.97Å
17I82Confident83.8Confident104 Ų10456.6 Ų56.653%0.53330%0.296SS..EExtended strand (participates in β ladder)trans-74.1127.4170.2-62171.2000108.4G19 V25 R27I17-G19 WeakPolarHBondContact CG2-O 3.34Å; I17-V25 HydrophobicContact CB-CG2 4.38Å; I17-V25 HydrophobicContact CD1-CG2 4.09Å; I17-V25 HydrophobicContact CG1-CG2 3.91Å; I17-V25 HydrophobicContact CG2-CG2 3.67Å; I17-R27 HydrophobicContact CG1-CG 3.99Å
18I79.7Confident84.2Confident78 Ų7854 Ų5440%0.428%0.279SS..EExtended strand (participates in β ladder)trans-108.5-17.3177.161.9175.5000112.6E16 I26 R28 A39 Y93E16-I18 HydrophobicContact CG-CG2 4.27Å; I18-I26 HydrophobicContact CD1-CG2 3.7Å; I18-I26 HydrophobicContact CG1-CB 4.01Å; I18-I26 HydrophobicContact CG1-CG2 3.58Å; I18-I26 WeakPolarHBondContact CG1-O 3.34Å; I18-I26 PolarHBondContact N-O 3.29Å; I18-R28 HydrophobicContact CG2-CB 4.24Å; I18-A39 HydrophobicContact CD1-CB 4.03Å; I18-Y93 HydrophobicContact CD1-CD2 4.47Å; I18-Y93 HydrophobicContact CD1-CE2 4.11Å
19G73.5Confident84.4Confident24 Ų2453.9 Ų53.925%0.24728%0.279CS..EExtended strand (participates in β ladder)trans-160148.8173.400000111.4I17 I26I17-G19 WeakPolarHBondContact CG2-O 3.34Å; G19-I26 PolarHBondContact N-O 2.91Å; G19-I26 VanDerWaalsContact N-O 3.11Å; G19-I26 PolarHBondContact O-N 3.4Å
20K66.4Low84.7Confident120 Ų12050.9 Ų50.952%0.52226%0.263SS..EExtended strand (participates in β ladder)trans-132.8128.2177.5-170-175.8175.5-159.50109S332K20-S332 PolarHBondContact NZ-O 3.41Å
21G62.4Low84.9Confident23 Ų2349.5 Ų49.524%0.23725%0.25CS..  trans-115.4-177.8171.100000111.4S24G21-S24 CarbonylContact C-O 3.58Å; G21-S24 WeakPolarHBondContact CA-O 3.33Å; G21-S24 PolarHBondContact N-O 3.09Å
22P61.6Low84.9Confident37 Ų3753.8 Ų53.824%0.2427%0.267CS..SBendtrans-66.6-39.7-176.723.9-32.5000113.2K47P22-K47 PolarHBondContact O-NZ 3.13Å
23F69.5Low84.8Confident30 Ų3058.8 Ų58.813%0.13229%0.294CS..SBendtrans-115.8-4.9-177.3-46.6-61.8000113.5D44 K47 F48 S51 L54F23-D44 PolarHBondContact O-N 3.13Å; F23-K47 HydrophobicContact CD1-CD 4.22Å; F23-K47 HydrophobicContact CD1-CG 4.02Å; F23-K47 HydrophobicContact CE1-CG 4.49Å; F23-F48 HydrophobicContact CB-CB 4.24Å; F23-F48 HydrophobicContact CB-CD2 3.76Å; F23-F48 AromaticContact CD2-CD2 3.78Å; F23-F48 HydrophobicContact CD2-CD2 3.78Å; F23-F48 HydrophobicContact CD2-CE2 4.2Å; F23-F48 HydrophobicContact CG-CB 4.46Å; F23-F48 AromaticContact CG-CD2 3.88Å; F23-F48 HydrophobicContact CG-CD2 3.88Å; F23-S51 WeakPolarHBondContact CE1-OG 3.44Å; F23-S51 WeakPolarHBondContact CZ-OG 3.03Å; F23-L54 HydrophobicContact CD2-CD1 4.15Å; F23-L54 HydrophobicContact CE2-CD1 3.55Å; F23-L54 HydrophobicContact CZ-CD1 4.08Å
24S76.3Confident84.8Confident17 Ų1757.8 Ų57.812%0.11930%0.295CS..EExtended strand (participates in β ladder)trans-140.5151.2-173.764.30000112.9G21 I42G21-S24 CarbonylContact C-O 3.58Å; G21-S24 WeakPolarHBondContact CA-O 3.33Å; G21-S24 PolarHBondContact N-O 3.09Å; S24-I42 CarbonylContact C-O 3.52Å; S24-I42 WeakPolarHBondContact CA-O 3.31Å; S24-I42 VanDerWaalsContact CB-O 3.28Å; S24-I42 WeakPolarHBondContact CB-O 3.36Å
25V83.1Confident84.7Confident36 Ų3658 Ų5822%0.21831%0.308CS..EExtended strand (participates in β ladder)trans-124.6135.3172.264.70000108.9I17 R27 I42I17-V25 HydrophobicContact CB-CG2 4.38Å; I17-V25 HydrophobicContact CD1-CG2 4.09Å; I17-V25 HydrophobicContact CG1-CG2 3.91Å; I17-V25 HydrophobicContact CG2-CG2 3.67Å; V25-R27 HydrophobicContact CG2-CG 4.12Å; V25-I42 HydrophobicContact CG1-CB 3.86Å; V25-I42 HydrophobicContact CG1-CD1 4.11Å; V25-I42 HydrophobicContact CG1-CG1 4.31Å; V25-I42 PolarHBondContact N-O 3.27Å; V25-I42 PolarHBondContact O-N 3.48Å
26I87.2Confident84.9Confident47 Ų4758.7 Ų58.724%0.24132%0.316CS..EExtended strand (participates in β ladder)trans-102.4123.2175.3-48.7178.2000107.4I18 G19 A39 V40I18-I26 HydrophobicContact CD1-CG2 3.7Å; I18-I26 HydrophobicContact CG1-CB 4.01Å; I18-I26 HydrophobicContact CG1-CG2 3.58Å; I18-I26 WeakPolarHBondContact CG1-O 3.34Å; I18-I26 PolarHBondContact N-O 3.29Å; G19-I26 PolarHBondContact N-O 2.91Å; G19-I26 VanDerWaalsContact N-O 3.11Å; G19-I26 PolarHBondContact O-N 3.4Å; I26-A39 HydrophobicContact CG2-CB 4.43Å; I26-V40 CarbonylContact C-O 3.59Å; I26-V40 VanDerWaalsContact CA-O 3.28Å; I26-V40 WeakPolarHBondContact CA-O 3.36Å
27R93Very high85.3Confident73 Ų7357.5 Ų57.528%0.27531%0.311SS..EExtended strand (participates in β ladder)trans-123.1149178.8-62.7-176.368.51750.1110.7L14 H15 E16 I17 V25 A39 V40 I42L14-R27 HydrophobicContact CD2-CB 4.1Å; H15-R27 PolarHBondContact O-NE 2.88Å; H15-R27 PolarHBondContact O-NH2 3.15Å; E16-R27 WeakPolarHBondContact O-CA 3.34Å; I17-R27 HydrophobicContact CG1-CG 3.99Å; V25-R27 HydrophobicContact CG2-CG 4.12Å; R27-A39 CarbonylContact O-C 3.54Å; R27-A39 WeakPolarHBondContact O-CA 3.49Å; R27-V40 HydrophobicContact CB-CG1 4.05Å; R27-V40 PolarHBondContact N-O 3.11Å; R27-V40 PolarHBondContact O-N 3.33Å; R27-I42 HydrophobicContact CG-CD1 4.47Å
28R95.5Very high86Confident40 Ų4054.4 Ų54.415%0.15129%0.293CS..EExtended strand (participates in β ladder)trans-70139.5162.5-172.5173.564.785.916.1107.9H15 E16 I18 E37 Y93H15-R28 WeakPolarHBondContact CA-O 3.44Å; H15-R28 HydrophobicContact CB-CB 4.26Å; H15-R28 VanDerWaalsContact CB-NH2 3.32Å; H15-R28 WeakPolarHBondContact CB-O 3.3Å; H15-R28 VanDerWaalsContact CG-NH2 3.31Å; H15-R28 PolarHBondContact N-O 2.84Å; E16-R28 VanDerWaalsContact CD-NE 3.33Å; E16-R28 PolarHBondContact O-N 3.03Å; E16-R28 WeakPolarHBondContact OE1-CD 3.39Å; E16-R28 IonicContact OE1-CZ 2.64Å; E16-R28 IonicContact OE1-NE 3.82Å; E16-R28 PolarHBondContact OE1-NE 3.42Å; E16-R28 IonicContact OE1-NH2 2.81Å; E16-R28 IonicContact OE2-CZ 2.73Å; E16-R28 IonicContact OE2-NE 3.6Å; E16-R28 PolarHBondContact OE2-NE 3.24Å; E16-R28 IonicContact OE2-NH2 3.62Å; E16-R28 PolarHBondContact OE2-NH2 2.97Å; I18-R28 HydrophobicContact CG2-CB 4.24Å; R28-E37 IonicContact CZ-OE1 3.49Å; R28-E37 IonicContact NH1-OE1 2.62Å; R28-E37 PolarHBondContact NH1-OE1 3.09Å; R28-Y93 HydrophobicContact CB-CE2 4.28Å; R28-Y93 HydrophobicContact CG-CD2 4.2Å; R28-Y93 HydrophobicContact CG-CE2 3.98Å
29C96.5Very high86.8Confident0 Ų051.1 Ų51.10%028%0.277CS..EExtended strand (participates in β ladder)trans-138.7158.3174.662.70000110.3Y12 E13 L14 Y38 V40Y12-C29 HydrophobicContact CD1-CB 4.44Å; E13-C29 CarbonylContact O-C 3.41Å; E13-C29 WeakPolarHBondContact O-CA 3.23Å; E13-C29 VanDerWaalsContact O-CB 3.31Å; E13-C29 WeakPolarHBondContact O-CB 3.43Å; L14-C29 HydrophobicContact CD2-CB 4.29Å; C29-Y38 PolarHBondContact N-O 3.47Å; C29-Y38 PolarHBondContact O-N 3.43Å; C29-Y38 VanDerWaalsContact O-O 3.12Å; C29-V40 HydrophobicContact CB-CG1 3.98Å
30T97.4Very high87.9Confident21 Ų2150 Ų5013%0.12927%0.266CS..EExtended strand (participates in β ladder)trans-124.5135.3174.5490000109.9Y12 E13 H15 K32 T36 E37Y12-T30 WeakPolarHBondContact CA-O 3.25Å; E13-T30 PolarHBondContact N-O 2.94Å; E13-T30 PolarHBondContact O-N 2.89Å; H15-T30 WeakPolarHBondContact NE2-CG2 3.34Å; H15-T30 PolarHBondContact NE2-OG1 2.84Å; T30-K32 PolarHBondContact O-N 2.92Å; T30-T36 WeakPolarHBondContact CA-O 3.21Å; T30-E37 HydrophobicContact CG2-CG 4.13Å
31R96.5Very high89.2Confident72 Ų7245 Ų4527%0.27224%0.244SC..EExtended strand (participates in β ladder)trans-73.5126.2173.6-160.5-174.1151.6136.6-1.6109.3V11 Y12 D33 G35 T36 Y38 E79V11-R31 HydrophobicContact CG1-CG 4.06Å; Y12-R31 HydrophobicContact CD1-CB 4.07Å; Y12-R31 HydrophobicContact CD1-CG 4.38Å; Y12-R31 HydrophobicContact CE1-CB 3.64Å; Y12-R31 HydrophobicContact CE1-CG 3.84Å; R31-D33 VanDerWaalsContact CD-OD1 3.23Å; R31-D33 WeakPolarHBondContact CD-OD1 3.27Å; R31-D33 WeakPolarHBondContact CG-OD1 3.16Å; R31-D33 IonicContact CZ-OD1 2.62Å; R31-D33 IonicContact CZ-OD2 2.93Å; R31-D33 VanDerWaalsContact NE-CG 3.32Å; R31-D33 IonicContact NE-OD1 2.81Å; R31-D33 PolarHBondContact NE-OD1 2.94Å; R31-D33 IonicContact NE-OD2 2.62Å; R31-D33 PolarHBondContact NE-OD2 2.78Å; R31-D33 VanDerWaalsContact NE-OD2 3.1Å; R31-D33 IonicContact NH2-OD1 3.94Å; R31-D33 IonicContact NH2-OD2 2.69Å; R31-D33 PolarHBondContact NH2-OD2 3.45Å; R31-D33 PolarHBondContact O-N 3.48Å; R31-G35 VanDerWaalsContact O-CA 3.27Å; R31-G35 WeakPolarHBondContact O-CA 3.47Å; R31-G35 PolarHBondContact O-N 3.27Å; R31-T36 PolarHBondContact N-O 3.18Å; R31-Y38 HydrophobicContact CB-CD2 4.23Å; R31-Y38 HydrophobicContact CB-CE2 3.88Å; R31-E79 IonicContact NH1-OE1 3.65Å
32K95.5Very high90.6Very high116 Ų11644.7 Ų44.750%0.50424%0.237SC..THydrogen-bonded Turntrans-66.6-32.7-167.3-71.6176.9175.7176.90114.4D9 V11 Y12 E13 T30D9-K32 PolarHBondContact O-NZ 3.08Å; V11-K32 PolarHBondContact O-N 2.76Å; Y12-K32 WeakPolarHBondContact O-CE 3.35Å; E13-K32 HydrophobicContact CB-CG 4.43Å; T30-K32 PolarHBondContact O-N 2.92Å
33D94Very high91.9Very high106 Ų10643 Ų4357%0.56723%0.226SC*.THydrogen-bonded Turntrans-78.6-39-177.859.3-9.5000113.1R31R31-D33 VanDerWaalsContact CD-OD1 3.23Å; R31-D33 WeakPolarHBondContact CD-OD1 3.27Å; R31-D33 WeakPolarHBondContact CG-OD1 3.16Å; R31-D33 IonicContact CZ-OD1 2.62Å; R31-D33 IonicContact CZ-OD2 2.93Å; R31-D33 VanDerWaalsContact NE-CG 3.32Å; R31-D33 IonicContact NE-OD1 2.81Å; R31-D33 PolarHBondContact NE-OD1 2.94Å; R31-D33 IonicContact NE-OD2 2.62Å; R31-D33 PolarHBondContact NE-OD2 2.78Å; R31-D33 VanDerWaalsContact NE-OD2 3.1Å; R31-D33 IonicContact NH2-OD1 3.94Å; R31-D33 IonicContact NH2-OD2 2.69Å; R31-D33 PolarHBondContact NH2-OD2 3.45Å; R31-D33 PolarHBondContact O-N 3.48Å
34T95.2Very high92.7Very high83 Ų8344 Ų4451%0.50923%0.233SC..THydrogen-bonded Turntrans-103-18-176.265.80000114T36T34-T36 PolarHBondContact O-N 2.92Å; T34-T36 WeakPolarHBondContact OG1-CB 3.36Å; T34-T36 PolarHBondContact OG1-N 2.88Å; T34-T36 PolarHBondContact OG1-OG1 3.01Å
35G93.6Very high93.3Very high52 Ų5244.6 Ų44.654%0.53624%0.235SC..  trans66.812.6-17000000114R31R31-G35 VanDerWaalsContact O-CA 3.27Å; R31-G35 WeakPolarHBondContact O-CA 3.47Å; R31-G35 PolarHBondContact O-N 3.27Å
36T96Very high93.3Very high63 Ų6347.6 Ų47.639%0.38725%0.253SS..  trans-73.3136.4-179-570000110.6T30 R31 T34 Y38T30-T36 WeakPolarHBondContact CA-O 3.21Å; R31-T36 PolarHBondContact N-O 3.18Å; T34-T36 PolarHBondContact O-N 2.92Å; T34-T36 WeakPolarHBondContact OG1-CB 3.36Å; T34-T36 PolarHBondContact OG1-N 2.88Å; T34-T36 PolarHBondContact OG1-OG1 3.01Å; T36-Y38 HydrophobicContact CG2-CD2 4.35Å; T36-Y38 HydrophobicContact CG2-CE1 4.4Å; T36-Y38 HydrophobicContact CG2-CE2 3.57Å; T36-Y38 VanDerWaalsContact O-CD2 3.25Å; T36-Y38 WeakPolarHBondContact O-CD2 3.28Å; T36-Y38 WeakPolarHBondContact O-CE2 3.34Å
37E96.3Very high92.8Very high65 Ų6549.9 Ų49.930%0.30426%0.262SS..EExtended strand (participates in β ladder)trans-82.8136.9-179.7-57.9-170.9111.500111.8R28 T30 Y93 K95R28-E37 IonicContact CZ-OE1 3.49Å; R28-E37 IonicContact NH1-OE1 2.62Å; R28-E37 PolarHBondContact NH1-OE1 3.09Å; T30-E37 HydrophobicContact CG2-CG 4.13Å; E37-Y93 HydrophobicContact CB-CD1 4.03Å; E37-Y93 HydrophobicContact CB-CG 4.36Å; E37-K95 WeakPolarHBondContact OE2-CE 3.02Å; E37-K95 IonicContact OE2-NZ 3.79Å
38Y97.4Very high91.9Very high39 Ų3946.5 Ų46.515%0.15325%0.249CC..EExtended strand (participates in β ladder)trans-138165.6178.3-65.3-81.9000111Y12 C29 R31 T36 V78 I90 F91Y12-Y38 AromaticContact CE1-CD2 3.65Å; Y12-Y38 HydrophobicContact CE1-CD2 3.65Å; Y12-Y38 HydrophobicContact CE1-CE2 4.15Å; Y12-Y38 HydrophobicContact CE1-CG 4.21Å; C29-Y38 PolarHBondContact N-O 3.47Å; C29-Y38 PolarHBondContact O-N 3.43Å; C29-Y38 VanDerWaalsContact O-O 3.12Å; R31-Y38 HydrophobicContact CB-CD2 4.23Å; R31-Y38 HydrophobicContact CB-CE2 3.88Å; T36-Y38 HydrophobicContact CG2-CD2 4.35Å; T36-Y38 HydrophobicContact CG2-CE1 4.4Å; T36-Y38 HydrophobicContact CG2-CE2 3.57Å; T36-Y38 VanDerWaalsContact O-CD2 3.25Å; T36-Y38 WeakPolarHBondContact O-CD2 3.28Å; T36-Y38 WeakPolarHBondContact O-CE2 3.34Å; Y38-V78 HydrophobicContact CD1-CG2 4.06Å; Y38-V78 HydrophobicContact CE1-CG2 3.8Å; Y38-I90 HydrophobicContact CD1-CG2 4.02Å; Y38-I90 HydrophobicContact CG-CG2 3.92Å; Y38-F91 WeakPolarHBondContact CB-O 3.34Å; Y38-F91 WeakPolarHBondContact CD1-O 3.41Å
39A95.9Very high91Very high10 Ų1047.4 Ų47.48%0.08326%0.259CS..EExtended strand (participates in β ladder)trans-108.2131.916700000109I18 I26 R27 F91 Y93I18-A39 HydrophobicContact CD1-CB 4.03Å; I26-A39 HydrophobicContact CG2-CB 4.43Å; R27-A39 CarbonylContact O-C 3.54Å; R27-A39 WeakPolarHBondContact O-CA 3.49Å; A39-F91 PolarHBondContact N-O 2.87Å; A39-F91 PolarHBondContact O-N 3.31Å; A39-Y93 HydrophobicContact CB-CD2 4.29Å
40V96.5Very high89.9Confident0 Ų051.5 Ų51.50%029%0.288CS..EExtended strand (participates in β ladder)trans-112.1123.3174.657.40000110.3F8 L14 I26 R27 C29 I42 Y88 M89 I90F8-V40 HydrophobicContact CE2-CB 4.38Å; F8-V40 HydrophobicContact CE2-CG1 4.46Å; F8-V40 HydrophobicContact CE2-CG2 3.98Å; F8-V40 HydrophobicContact CZ-CG1 4.25Å; F8-V40 HydrophobicContact CZ-CG2 4.39Å; L14-V40 HydrophobicContact CD2-CG1 3.47Å; L14-V40 VanDerWaalsContact CD2-CG1 3.47Å; I26-V40 CarbonylContact C-O 3.59Å; I26-V40 VanDerWaalsContact CA-O 3.28Å; I26-V40 WeakPolarHBondContact CA-O 3.36Å; R27-V40 HydrophobicContact CB-CG1 4.05Å; R27-V40 PolarHBondContact N-O 3.11Å; R27-V40 PolarHBondContact O-N 3.33Å; C29-V40 HydrophobicContact CB-CG1 3.98Å; V40-I42 HydrophobicContact CG1-CD1 4.36Å; V40-I42 HydrophobicContact CG1-CG1 4.2Å; V40-I42 HydrophobicContact CG2-CG1 3.83Å; V40-Y88 HydrophobicContact CG2-CD1 4.03Å; V40-M89 WeakPolarHBondContact CA-O 3.38Å; V40-I90 HydrophobicContact CB-CD1 3.71Å; V40-I90 HydrophobicContact CG2-CD1 3.55Å
41K93.8Very high88.4Confident15 Ų1551.5 Ų51.57%0.06529%0.289CS..EExtended strand (participates in β ladder)trans-87.1112.1165.1-177.3-171.2-178.1-168.70107.1V43 E62 Y88 M89 F91 D185K41-V43 HydrophobicContact CD-CG2 4.23Å; K41-V43 HydrophobicContact CG-CG2 4.06Å; K41-E62 IonicContact NZ-OE1 2.84Å; K41-E62 PolarHBondContact NZ-OE1 3.31Å; K41-E62 IonicContact NZ-OE2 3.66Å; K41-E62 PolarHBondContact NZ-OE2 3.24Å; K41-Y88 WeakPolarHBondContact O-CA 3.32Å; K41-M89 HydrophobicContact CB-CB 4.3Å; K41-M89 HydrophobicContact CD-SD 4.33Å; K41-M89 PolarHBondContact N-O 2.91Å; K41-M89 PolarHBondContact O-N 2.83Å; K41-F91 HydrophobicContact CB-CE2 4.1Å; K41-D185 IonicContact NZ-OD2 3.56Å; K41-D185 PolarHBondContact NZ-OD2 3.46Å
42I92.9Very high86.7Confident17 Ų1751.8 Ų51.89%0.08730%0.299CS..EExtended strand (participates in β ladder)trans-100.8118.9176.9-48.3175000106.9L14 S24 V25 R27 V40 M86 L87 Y88L14-I42 HydrophobicContact CD1-CD1 4.21Å; L14-I42 HydrophobicContact CD2-CD1 4.03Å; S24-I42 CarbonylContact C-O 3.52Å; S24-I42 WeakPolarHBondContact CA-O 3.31Å; S24-I42 VanDerWaalsContact CB-O 3.28Å; S24-I42 WeakPolarHBondContact CB-O 3.36Å; V25-I42 HydrophobicContact CG1-CB 3.86Å; V25-I42 HydrophobicContact CG1-CD1 4.11Å; V25-I42 HydrophobicContact CG1-CG1 4.31Å; V25-I42 PolarHBondContact N-O 3.27Å; V25-I42 PolarHBondContact O-N 3.48Å; R27-I42 HydrophobicContact CG-CD1 4.47Å; V40-I42 HydrophobicContact CG1-CD1 4.36Å; V40-I42 HydrophobicContact CG1-CG1 4.2Å; V40-I42 HydrophobicContact CG2-CG1 3.83Å; I42-M86 HydrophobicContact CG2-CB 4.28Å; I42-M86 HydrophobicContact CG2-CG 4.5Å; I42-M86 HydrophobicContact CG2-SD 4.2Å; I42-L87 CarbonylContact C-O 3.54Å; I42-L87 WeakPolarHBondContact CA-O 3.5Å; I42-Y88 HydrophobicContact CB-CD1 4.4Å; I42-Y88 HydrophobicContact CD1-CD1 4.24Å; I42-Y88 HydrophobicContact CD1-CE1 4.04Å; I42-Y88 HydrophobicContact CG1-CD1 3.79Å; I42-Y88 HydrophobicContact CG1-CE1 4.02Å; I42-Y88 HydrophobicContact CG2-CD1 4.06Å; I42-Y88 HydrophobicContact CG2-CE1 3.79Å
43V88.5Confident85.2Confident2 Ų249 Ų491%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-112.3127.1-179.8-170.80000109K41 V45 F48 L59 M86 L87K41-V43 HydrophobicContact CD-CG2 4.23Å; K41-V43 HydrophobicContact CG-CG2 4.06Å; V43-V45 PolarHBondContact O-N 3.31Å; V43-F48 HydrophobicContact CG1-CB 4.26Å; V43-F48 HydrophobicContact CG1-CD2 4.09Å; V43-F48 HydrophobicContact CG1-CG 4.34Å; V43-L59 HydrophobicContact CG1-CD1 4.28Å; V43-L59 HydrophobicContact CG1-CD2 3.95Å; V43-L59 HydrophobicContact CG2-CD2 4.49Å; V43-M86 CarbonylContact O-C 3.56Å; V43-M86 WeakPolarHBondContact O-CA 3.43Å; V43-L87 HydrophobicContact CB-CB 4.3Å; V43-L87 PolarHBondContact N-O 3.41Å; V43-L87 PolarHBondContact O-N 3.33Å
44D85.7Confident84.3Confident51 Ų5144.3 Ų44.327%0.27328%0.278SS..EExtended strand (participates in β ladder)trans-76.2104.5168.6-176.2-31000108.6F23 V46 K47 F48 M86F23-D44 PolarHBondContact O-N 3.13Å; D44-V46 VanDerWaalsContact C-N 3.27Å; D44-V46 PolarHBondContact O-N 3.36Å; D44-V46 PolarHBondContact OD1-N 3.43Å; D44-K47 HydrophobicContact CB-CB 3.93Å; D44-K47 PolarHBondContact OD1-N 3.23Å; D44-F48 WeakPolarHBondContact O-CB 3.34Å; D44-F48 PolarHBondContact O-N 2.81Å; D44-M86 VanDerWaalsContact CA-SD 3.53Å; D44-M86 HydrophobicContact CB-CE 4Å; D44-M86 HydrophobicContact CB-SD 3.87Å
45V87.8Confident83.5Confident29 Ų2942.4 Ų42.418%0.17627%0.268CS..Hα-helixtrans-67.5-32.8-174.5-177.10000110.7V43 T49 T56 L59 G85 L87V43-V45 PolarHBondContact O-N 3.31Å; V45-T49 HydrophobicContact CG1-CG2 4.18Å; V45-T49 WeakPolarHBondContact O-CB 3.47Å; V45-T49 VanDerWaalsContact O-CG2 3.24Å; V45-T49 WeakPolarHBondContact O-CG2 3.46Å; V45-T49 PolarHBondContact O-N 3.45Å; V45-T49 PolarHBondContact O-OG1 3.32Å; V45-T56 HydrophobicContact CG1-CG2 3.97Å; V45-L59 HydrophobicContact CG1-CD1 4.24Å; V45-L59 HydrophobicContact CG2-CD1 4.11Å; V45-G85 WeakPolarHBondContact CB-O 3.12Å; V45-G85 VanDerWaalsContact CG2-O 3.32Å; V45-G85 WeakPolarHBondContact CG2-O 3.46Å; V45-G85 PolarHBondContact N-O 2.85Å; V45-L87 HydrophobicContact CG2-CB 3.87Å
46V83.6Confident83Confident99 Ų9943.2 Ų43.260%0.626%0.263SS*.Hα-helixtrans-69.6-52-179.8-178.90000109.4D44 F48 T49 S50D44-V46 VanDerWaalsContact C-N 3.27Å; D44-V46 PolarHBondContact O-N 3.36Å; D44-V46 PolarHBondContact OD1-N 3.43Å; V46-F48 VanDerWaalsContact C-N 3.26Å; V46-F48 PolarHBondContact O-N 2.75Å; V46-T49 PolarHBondContact O-N 2.98Å; V46-T49 PolarHBondContact O-OG1 3.08Å; V46-S50 WeakPolarHBondContact O-CB 3.31Å; V46-S50 PolarHBondContact O-N 2.77Å; V46-S50 PolarHBondContact O-OG 2.65Å
47K76.3Confident82.4Confident95 Ų9543 Ų4341%0.41327%0.268SS..Hα-helixtrans-62.9-34.6177.6-164.5-172.2-179.3-172.30112.5P22 F23 D44 S50 S51P22-K47 PolarHBondContact O-NZ 3.13Å; F23-K47 HydrophobicContact CD1-CD 4.22Å; F23-K47 HydrophobicContact CD1-CG 4.02Å; F23-K47 HydrophobicContact CE1-CG 4.49Å; D44-K47 HydrophobicContact CB-CB 3.93Å; D44-K47 PolarHBondContact OD1-N 3.23Å; K47-S50 PolarHBondContact O-OG 2.82Å; K47-S51 PolarHBondContact O-OG 2.61Å
48F75.9Confident81.7Confident2 Ų241 Ų411%0.00926%0.259CS..Hα-helixtrans-65.6-48.5175.6-171.9-92000111.6F23 V43 D44 V46 S51 L54 D58 L59 D185F23-F48 HydrophobicContact CB-CB 4.24Å; F23-F48 HydrophobicContact CB-CD2 3.76Å; F23-F48 AromaticContact CD2-CD2 3.78Å; F23-F48 HydrophobicContact CD2-CD2 3.78Å; F23-F48 HydrophobicContact CD2-CE2 4.2Å; F23-F48 HydrophobicContact CG-CB 4.46Å; F23-F48 AromaticContact CG-CD2 3.88Å; F23-F48 HydrophobicContact CG-CD2 3.88Å; V43-F48 HydrophobicContact CG1-CB 4.26Å; V43-F48 HydrophobicContact CG1-CD2 4.09Å; V43-F48 HydrophobicContact CG1-CG 4.34Å; D44-F48 WeakPolarHBondContact O-CB 3.34Å; D44-F48 PolarHBondContact O-N 2.81Å; V46-F48 VanDerWaalsContact C-N 3.26Å; V46-F48 PolarHBondContact O-N 2.75Å; F48-S51 WeakPolarHBondContact O-CB 3.07Å; F48-S51 PolarHBondContact O-N 3.38Å; F48-L54 HydrophobicContact CD1-CB 4Å; F48-L54 HydrophobicContact CD2-CD1 4.36Å; F48-L54 HydrophobicContact CE1-CB 3.71Å; F48-L54 HydrophobicContact CE1-CD2 4.14Å; F48-L54 HydrophobicContact CE1-CG 4.36Å; F48-L54 HydrophobicContact CE2-CD1 4.07Å; F48-L54 HydrophobicContact CE2-CD2 4.27Å; F48-L54 HydrophobicContact CZ-CB 4.07Å; F48-L54 HydrophobicContact CZ-CD1 4.2Å; F48-L54 HydrophobicContact CZ-CD2 3.69Å; F48-L54 HydrophobicContact CZ-CG 4.21Å; F48-L54 VanDerWaalsContact O-CB 3.31Å; F48-L54 WeakPolarHBondContact O-CB 3.31Å; F48-D58 HydrophobicContact CE1-CB 4.31Å; F48-D58 HydrophobicContact CZ-CB 4.48Å; F48-L59 HydrophobicContact CD1-CD1 3.91Å; F48-L59 HydrophobicContact CD1-CD2 4.15Å; F48-L59 HydrophobicContact CD1-CG 3.9Å; F48-L59 HydrophobicContact CD2-CD2 4.25Å; F48-L59 HydrophobicContact CE1-CD1 4.25Å; F48-L59 HydrophobicContact CE1-CD2 3.86Å; F48-L59 HydrophobicContact CE1-CG 3.72Å; F48-L59 HydrophobicContact CE2-CD2 3.97Å; F48-L59 HydrophobicContact CG-CD1 4.28Å; F48-L59 HydrophobicContact CG-CD2 4.33Å; F48-L59 HydrophobicContact CG-CG 4.47Å; F48-L59 HydrophobicContact CZ-CD2 3.75Å; F48-L59 HydrophobicContact CZ-CG 4.14Å; F48-D185 WeakPolarHBondContact CE2-OD1 3.49Å; F48-D185 WeakPolarHBondContact CZ-OD1 3.21Å
49T75.7Confident81.3Confident58 Ų5839.5 Ų39.536%0.35625%0.254SS..Hα-helixtrans-80.9-15.3-175.655.60000114.3V45 V46 T56V45-T49 HydrophobicContact CG1-CG2 4.18Å; V45-T49 WeakPolarHBondContact O-CB 3.47Å; V45-T49 VanDerWaalsContact O-CG2 3.24Å; V45-T49 WeakPolarHBondContact O-CG2 3.46Å; V45-T49 PolarHBondContact O-N 3.45Å; V45-T49 PolarHBondContact O-OG1 3.32Å; V46-T49 PolarHBondContact O-N 2.98Å; V46-T49 PolarHBondContact O-OG1 3.08Å; T49-T56 HydrophobicContact CG2-CG2 3.69Å
50S72.9Confident81Confident87 Ų8745.7 Ų45.761%0.60828%0.279SS*.THydrogen-bonded Turntrans-72.8-16.5168.867.40000112.4V46 K47V46-S50 WeakPolarHBondContact O-CB 3.31Å; V46-S50 PolarHBondContact O-N 2.77Å; V46-S50 PolarHBondContact O-OG 2.65Å; K47-S50 PolarHBondContact O-OG 2.82Å
51S65.7Low80.7Confident21 Ų2148 Ų4815%0.14729%0.287CS..SBendtrans-81.7131.6179.7-59.50000111F23 K47 F48 G53 L54F23-S51 WeakPolarHBondContact CE1-OG 3.44Å; F23-S51 WeakPolarHBondContact CZ-OG 3.03Å; K47-S51 PolarHBondContact O-OG 2.61Å; F48-S51 WeakPolarHBondContact O-CB 3.07Å; F48-S51 PolarHBondContact O-N 3.38Å; S51-G53 PolarHBondContact O-N 2.9Å; S51-L54 PolarHBondContact O-N 3.02Å; S51-L54 VanDerWaalsContact O-N 3.12Å
52P61.4Low80.6Confident77 Ų7747.6 Ų47.650%0.529%0.286SS..THydrogen-bonded Turntrans-54.1130.1-178.1-27.634.7000113.1L54 F189P52-L54 VanDerWaalsContact C-N 3.27Å; P52-L54 PolarHBondContact O-N 3.44Å; P52-F189 HydrophobicContact CB-CE1 4.43Å; P52-F189 WeakPolarHBondContact O-CE2 3.38Å; P52-F189 WeakPolarHBondContact O-CZ 3.24Å
53G64.9Low80.6Confident57 Ų5747.6 Ų47.659%0.58829%0.289SS*.THydrogen-bonded Turntrans80.9-7.1178.300000115.5S51 T183S51-G53 PolarHBondContact O-N 2.9Å; G53-T183 WeakPolarHBondContact O-CG2 3.41Å
54L73.5Confident80.9Confident8 Ų851 Ų514%0.04231%0.312CS..  trans-100132.8176.5-67.8175.2000111.1F23 F48 S51 P52F23-L54 HydrophobicContact CD2-CD1 4.15Å; F23-L54 HydrophobicContact CE2-CD1 3.55Å; F23-L54 HydrophobicContact CZ-CD1 4.08Å; F48-L54 HydrophobicContact CD1-CB 4Å; F48-L54 HydrophobicContact CD2-CD1 4.36Å; F48-L54 HydrophobicContact CE1-CB 3.71Å; F48-L54 HydrophobicContact CE1-CD2 4.14Å; F48-L54 HydrophobicContact CE1-CG 4.36Å; F48-L54 HydrophobicContact CE2-CD1 4.07Å; F48-L54 HydrophobicContact CE2-CD2 4.27Å; F48-L54 HydrophobicContact CZ-CB 4.07Å; F48-L54 HydrophobicContact CZ-CD1 4.2Å; F48-L54 HydrophobicContact CZ-CD2 3.69Å; F48-L54 HydrophobicContact CZ-CG 4.21Å; F48-L54 VanDerWaalsContact O-CB 3.31Å; F48-L54 WeakPolarHBondContact O-CB 3.31Å; S51-L54 PolarHBondContact O-N 3.02Å; S51-L54 VanDerWaalsContact O-N 3.12Å; P52-L54 VanDerWaalsContact C-N 3.27Å; P52-L54 PolarHBondContact O-N 3.44Å
55S78.3Confident81.3Confident43 Ų4348.6 Ų48.630%0.30130%0.299SS..  trans-137.5163.7-171.876.90000112.9A57 D58S55-A57 PolarHBondContact O-N 3.28Å; S55-A57 VanDerWaalsContact O-N 3.14Å; S55-A57 WeakPolarHBondContact OG-CB 3.39Å; S55-A57 PolarHBondContact OG-N 3.2Å; S55-D58 WeakPolarHBondContact CA-OD2 3.47Å; S55-D58 WeakPolarHBondContact CB-OD2 3.18Å; S55-D58 PolarHBondContact N-OD2 2.78Å; S55-D58 WeakPolarHBondContact O-CB 3.35Å; S55-D58 PolarHBondContact O-N 3.19Å; S55-D58 PolarHBondContact OG-OD2 2.84Å
56T83.5Confident81.7Confident69 Ų6947.4 Ų47.442%0.42329%0.292SS..Hα-helixtrans-62.2-19.9171.961.90000113.1V45 T49 D58 K60V45-T56 HydrophobicContact CG1-CG2 3.97Å; T49-T56 HydrophobicContact CG2-CG2 3.69Å; T56-D58 VanDerWaalsContact C-N 3.28Å; T56-K60 WeakPolarHBondContact O-CB 3.36Å; T56-K60 VanDerWaalsContact O-CG 3.3Å; T56-K60 WeakPolarHBondContact O-CG 3.4Å; T56-K60 PolarHBondContact O-N 2.81Å; T56-K60 VanDerWaalsContact O-N 3.15Å
57A83.2Confident82.2Confident58 Ų5848.2 Ų48.248%0.47929%0.289SS..Hα-helixtrans-68.5-31.4174.700000111.4S55 K60 R61S55-A57 PolarHBondContact O-N 3.28Å; S55-A57 VanDerWaalsContact O-N 3.14Å; S55-A57 WeakPolarHBondContact OG-CB 3.39Å; S55-A57 PolarHBondContact OG-N 3.2Å; A57-K60 PolarHBondContact O-N 3.23Å; A57-R61 VanDerWaalsContact O-CB 3.28Å; A57-R61 WeakPolarHBondContact O-CB 3.45Å; A57-R61 PolarHBondContact O-N 3.42Å
58D82.9Confident83.1Confident25 Ų2547.6 Ų47.613%0.13429%0.29CS..Hα-helixtrans-71.4-44.6-179.1-54.8-49.7000111.3F48 S55 T56 K60 R61 E62F48-D58 HydrophobicContact CE1-CB 4.31Å; F48-D58 HydrophobicContact CZ-CB 4.48Å; S55-D58 WeakPolarHBondContact CA-OD2 3.47Å; S55-D58 WeakPolarHBondContact CB-OD2 3.18Å; S55-D58 PolarHBondContact N-OD2 2.78Å; S55-D58 WeakPolarHBondContact O-CB 3.35Å; S55-D58 PolarHBondContact O-N 3.19Å; S55-D58 PolarHBondContact OG-OD2 2.84Å; T56-D58 VanDerWaalsContact C-N 3.28Å; D58-K60 PolarHBondContact O-N 2.79Å; D58-R61 VanDerWaalsContact CA-NH2 3.3Å; D58-R61 WeakPolarHBondContact O-CB 3.35Å; D58-R61 PolarHBondContact O-N 2.89Å; D58-R61 IonicContact OD1-CZ 3.66Å; D58-R61 IonicContact OD1-NE 2.66Å; D58-R61 IonicContact OD1-NH2 2.66Å; D58-R61 PolarHBondContact OD1-NH2 2.83Å; D58-E62 PolarHBondContact O-N 3.34Å
59L87.6Confident84.1Confident7 Ų747.6 Ų47.64%0.03729%0.29CS..Hα-helixtrans-62.2-42.9173.2-62.7178.2000112.1V43 V45 F48 R61 E62 A63 L87V43-L59 HydrophobicContact CG1-CD1 4.28Å; V43-L59 HydrophobicContact CG1-CD2 3.95Å; V43-L59 HydrophobicContact CG2-CD2 4.49Å; V45-L59 HydrophobicContact CG1-CD1 4.24Å; V45-L59 HydrophobicContact CG2-CD1 4.11Å; F48-L59 HydrophobicContact CD1-CD1 3.91Å; F48-L59 HydrophobicContact CD1-CD2 4.15Å; F48-L59 HydrophobicContact CD1-CG 3.9Å; F48-L59 HydrophobicContact CD2-CD2 4.25Å; F48-L59 HydrophobicContact CE1-CD1 4.25Å; F48-L59 HydrophobicContact CE1-CD2 3.86Å; F48-L59 HydrophobicContact CE1-CG 3.72Å; F48-L59 HydrophobicContact CE2-CD2 3.97Å; F48-L59 HydrophobicContact CG-CD1 4.28Å; F48-L59 HydrophobicContact CG-CD2 4.33Å; F48-L59 HydrophobicContact CG-CG 4.47Å; F48-L59 HydrophobicContact CZ-CD2 3.75Å; F48-L59 HydrophobicContact CZ-CG 4.14Å; L59-R61 VanDerWaalsContact C-N 3.31Å; L59-R61 PolarHBondContact O-N 2.76Å; L59-E62 PolarHBondContact O-N 2.83Å; L59-A63 WeakPolarHBondContact O-CB 3.23Å; L59-A63 PolarHBondContact O-N 3.07Å; L59-L87 HydrophobicContact CB-CD2 3.85Å; L59-L87 HydrophobicContact CD1-CD2 4.16Å; L59-L87 HydrophobicContact CD2-CD2 4.37Å; L59-L87 HydrophobicContact CG-CD2 4.35Å
60K89.5Confident85Confident139 Ų13949 Ų4960%0.60429%0.291SS*.Hα-helixtrans-63.2-39.1176.1-76.5174.5-177.9173.90111.7T56 A57 D58 S64T56-K60 WeakPolarHBondContact O-CB 3.36Å; T56-K60 VanDerWaalsContact O-CG 3.3Å; T56-K60 WeakPolarHBondContact O-CG 3.4Å; T56-K60 PolarHBondContact O-N 2.81Å; T56-K60 VanDerWaalsContact O-N 3.15Å; A57-K60 PolarHBondContact O-N 3.23Å; D58-K60 PolarHBondContact O-N 2.79Å; K60-S64 VanDerWaalsContact O-CB 3.28Å; K60-S64 WeakPolarHBondContact O-CB 3.41Å; K60-S64 PolarHBondContact O-N 2.92Å; K60-S64 PolarHBondContact O-OG 3.07Å
61R90.7Very high86.2Confident48 Ų4847 Ų4718%0.18127%0.272CS..Hα-helixtrans-65-48.8177170174.745.565.9-0.8111.3A57 D58 L59 A63 S64 I65 G164 A166A57-R61 VanDerWaalsContact O-CB 3.28Å; A57-R61 WeakPolarHBondContact O-CB 3.45Å; A57-R61 PolarHBondContact O-N 3.42Å; D58-R61 VanDerWaalsContact CA-NH2 3.3Å; D58-R61 WeakPolarHBondContact O-CB 3.35Å; D58-R61 PolarHBondContact O-N 2.89Å; D58-R61 IonicContact OD1-CZ 3.66Å; D58-R61 IonicContact OD1-NE 2.66Å; D58-R61 IonicContact OD1-NH2 2.66Å; D58-R61 PolarHBondContact OD1-NH2 2.83Å; L59-R61 VanDerWaalsContact C-N 3.31Å; L59-R61 PolarHBondContact O-N 2.76Å; R61-A63 PolarHBondContact O-N 2.78Å; R61-S64 PolarHBondContact O-N 3.09Å; R61-I65 HydrophobicContact CG-CD1 3.95Å; R61-I65 WeakPolarHBondContact O-CG1 3.47Å; R61-I65 PolarHBondContact O-N 3.28Å; R61-G164 PolarHBondContact NH1-O 2.78Å; R61-G164 VanDerWaalsContact NH1-O 3.07Å; R61-A166 PolarHBondContact NH1-O 3.08Å
62E91.9Very high87.7Confident8 Ų850.2 Ų50.24%0.03729%0.293CS..Hα-helixtrans-55.5-52.3175-177.5-175-166.800110.7K41 D58 L59 S64 I65 C66 M89K41-E62 IonicContact NZ-OE1 2.84Å; K41-E62 PolarHBondContact NZ-OE1 3.31Å; K41-E62 IonicContact NZ-OE2 3.66Å; K41-E62 PolarHBondContact NZ-OE2 3.24Å; D58-E62 PolarHBondContact O-N 3.34Å; L59-E62 PolarHBondContact O-N 2.83Å; E62-S64 VanDerWaalsContact C-N 3.32Å; E62-S64 PolarHBondContact O-N 3.12Å; E62-I65 PolarHBondContact O-N 3.01Å; E62-C66 WeakPolarHBondContact O-CB 3.39Å; E62-C66 PolarHBondContact O-N 3.47Å; E62-C66 PolarHBondContact O-SG 3.45Å; E62-C66 VanDerWaalsContact O-SG 3.34Å; E62-M89 HydrophobicContact CG-CE 4.15Å
63A92.8Very high89.4Confident17 Ų1747.8 Ų47.814%0.1428%0.275CS..Hα-helixtrans-60.2-40.618000000112.7L59 R61 H67 T80 M89L59-A63 WeakPolarHBondContact O-CB 3.23Å; L59-A63 PolarHBondContact O-N 3.07Å; R61-A63 PolarHBondContact O-N 2.78Å; A63-H67 VanDerWaalsContact O-CB 3.29Å; A63-H67 WeakPolarHBondContact O-CB 3.29Å; A63-H67 PolarHBondContact O-N 2.82Å; A63-T80 HydrophobicContact CB-CG2 4.44Å; A63-M89 HydrophobicContact CB-CE 3.96Å
64S94.2Very high91Very high72 Ų7245.2 Ų45.250%0.50325%0.248SC..Hα-helixtrans-65.6-45178.9-59.50000112K60 R61 E62 H67 L68K60-S64 VanDerWaalsContact O-CB 3.28Å; K60-S64 WeakPolarHBondContact O-CB 3.41Å; K60-S64 PolarHBondContact O-N 2.92Å; K60-S64 PolarHBondContact O-OG 3.07Å; R61-S64 PolarHBondContact O-N 3.09Å; E62-S64 VanDerWaalsContact C-N 3.32Å; E62-S64 PolarHBondContact O-N 3.12Å; S64-H67 PolarHBondContact O-N 3.26Å; S64-L68 PolarHBondContact O-N 2.9Å; S64-L68 VanDerWaalsContact O-N 3.16Å
65I94.9Very high92.1Very high1 Ų145.6 Ų45.61%0.00525%0.25CS..Hα-helixtrans-62.8-50.5176.9-73.4171.6000110.1R61 E62 H67 L68 L69 I137 F163 A166R61-I65 HydrophobicContact CG-CD1 3.95Å; R61-I65 WeakPolarHBondContact O-CG1 3.47Å; R61-I65 PolarHBondContact O-N 3.28Å; E62-I65 PolarHBondContact O-N 3.01Å; I65-H67 VanDerWaalsContact C-N 3.27Å; I65-H67 PolarHBondContact O-N 3.31Å; I65-L68 PolarHBondContact O-N 3.4Å; I65-L68 VanDerWaalsContact O-N 3.13Å; I65-L69 HydrophobicContact CG2-CD1 3.73Å; I65-L69 HydrophobicContact CG2-CG 4.37Å; I65-L69 WeakPolarHBondContact O-CG 3.48Å; I65-L69 PolarHBondContact O-N 3.12Å; I65-L69 VanDerWaalsContact O-N 3.11Å; I65-I137 HydrophobicContact CG2-CD1 4.02Å; I65-I137 HydrophobicContact CG2-CG2 4Å; I65-F163 HydrophobicContact CG2-CB 4.39Å; I65-F163 HydrophobicContact CG2-CD1 4.06Å; I65-F163 HydrophobicContact CG2-CG 4.46Å; I65-A166 VanDerWaalsContact CD1-C 3.44Å; I65-A166 HydrophobicContact CD1-CB 3.83Å; I65-A166 VanDerWaalsContact CD1-O 3.28Å; I65-A166 WeakPolarHBondContact CD1-O 3.46Å; I65-A166 HydrophobicContact CG2-CB 4.08Å
66C95.7Very high93Very high5 Ų547.5 Ų47.53%0.03425%0.254CS..Hα-helixtrans-60.4-35.4179.4-74.50000112.8E62 L77 F91E62-C66 WeakPolarHBondContact O-CB 3.39Å; E62-C66 PolarHBondContact O-N 3.47Å; E62-C66 PolarHBondContact O-SG 3.45Å; E62-C66 VanDerWaalsContact O-SG 3.34Å; C66-L77 HydrophobicContact CB-CB 3.78Å; C66-L77 HydrophobicContact CB-CD2 3.56Å; C66-L77 HydrophobicContact CB-CG 4.26Å; C66-F91 HydrophobicContact CB-CE1 4.4Å
67H94.8Very high93.6Very high115 Ų11544.2 Ų44.253%0.53223%0.234SC..Hα-helixtrans-70.4-34.1177.4-16577.4000112.4A63 S64 I65 L77A63-H67 VanDerWaalsContact O-CB 3.29Å; A63-H67 WeakPolarHBondContact O-CB 3.29Å; A63-H67 PolarHBondContact O-N 2.82Å; S64-H67 PolarHBondContact O-N 3.26Å; I65-H67 VanDerWaalsContact C-N 3.27Å; I65-H67 PolarHBondContact O-N 3.31Å; H67-L77 HydrophobicContact CB-CD2 4.34Å
68L95Very high94.2Very high82 Ų8243.7 Ų43.743%0.42923%0.225SC..Hα-helixtrans-71.2-37178-178.266.5000112.4S64 I65 K70 I137S64-L68 PolarHBondContact O-N 2.9Å; S64-L68 VanDerWaalsContact O-N 3.16Å; I65-L68 PolarHBondContact O-N 3.4Å; I65-L68 VanDerWaalsContact O-N 3.13Å; L68-K70 PolarHBondContact O-N 3.34Å; L68-I137 HydrophobicContact CD2-CD1 3.99Å
69L96.5Very high94.7Very high2 Ų244.7 Ų44.71%0.0123%0.229CC..  trans-78.4111.8-172.7-66.8173.3000111.9I65 I74 Y131 I137 F163I65-L69 HydrophobicContact CG2-CD1 3.73Å; I65-L69 HydrophobicContact CG2-CG 4.37Å; I65-L69 WeakPolarHBondContact O-CG 3.48Å; I65-L69 PolarHBondContact O-N 3.12Å; I65-L69 VanDerWaalsContact O-N 3.11Å; L69-I74 HydrophobicContact CB-CD1 4.29Å; L69-I74 HydrophobicContact CB-CG2 4.19Å; L69-I74 HydrophobicContact CD1-CD1 4.41Å; L69-I74 HydrophobicContact CD2-CD1 4.3Å; L69-Y131 HydrophobicContact CB-CE1 4.44Å; L69-Y131 HydrophobicContact CD2-CD1 3.95Å; L69-Y131 HydrophobicContact CD2-CE1 3.69Å; L69-I137 HydrophobicContact CD1-CD1 4.36Å; L69-I137 HydrophobicContact CD2-CD1 3.7Å; L69-I137 HydrophobicContact CG-CD1 4.02Å; L69-F163 HydrophobicContact CD1-CD1 3.72Å; L69-F163 HydrophobicContact CD1-CE1 3.29Å; L69-F163 HydrophobicContact CD1-CE2 4.27Å; L69-F163 HydrophobicContact CD1-CG 4.37Å; L69-F163 HydrophobicContact CD1-CZ 3.61Å
70K96Very high95.1Very high87 Ų8747.6 Ų47.638%0.37825%0.247SC..  trans-126.599175.2-60.3-64.3-179.5178.90110.1L68 E76 L77 Y131L68-K70 PolarHBondContact O-N 3.34Å; K70-E76 HydrophobicContact CD-CG 3.98Å; K70-E76 WeakPolarHBondContact CD-OE1 3.39Å; K70-E76 VanDerWaalsContact NZ-CG 3.27Å; K70-E76 IonicContact NZ-OE1 2.89Å; K70-E76 PolarHBondContact NZ-OE1 2.98Å; K70-L77 PolarHBondContact NZ-O 2.91Å; K70-Y131 PolarHBondContact N-OH 3.4Å; K70-Y131 PolarHBondContact O-OH 3.39Å
71H97.5Very high95.3Very high45 Ų4542.7 Ų42.721%0.20823%0.225CC..  trans-148.4143.8-175.1-175.3-101.5000111.6H73 I74 Y131H71-H73 AromaticContact CE1-CD2 3.77Å; H71-H73 PolarHBondContact ND1-N 3.18Å; H71-H73 VanDerWaalsContact ND1-N 3.12Å; H71-H73 PolarHBondContact O-N 2.94Å; H71-I74 HydrophobicContact CB-CB 4.07Å; H71-I74 HydrophobicContact CB-CD1 3.82Å; H71-I74 HydrophobicContact CB-CG1 3.9Å; H71-I74 PolarHBondContact O-N 3.01Å; H71-Y131 HydrophobicContact CB-CD1 3.76Å; H71-Y131 HydrophobicContact CB-CE1 3.93Å; H71-Y131 HydrophobicContact CB-CG 4.13Å; H71-Y131 AromaticContact CD2-CG 3.83Å
72P96.6Very high95.4Very high90 Ų9044.8 Ų44.858%0.58425%0.247SC*.THydrogen-bonded Turntrans-57.8-24-179.1-27.436000115.4K159P72-K159 VanDerWaalsContact O-CE 3.22Å; P72-K159 WeakPolarHBondContact O-CE 3.24Å
73H97.9Very high95.3Very high26 Ų2645.1 Ų45.112%0.1225%0.25CS..THydrogen-bonded Turntrans-108.419.4179.1-59.3-56.5000113.2H71 Q124 E127 A128 V158 K159 L160H71-H73 AromaticContact CE1-CD2 3.77Å; H71-H73 PolarHBondContact ND1-N 3.18Å; H71-H73 VanDerWaalsContact ND1-N 3.12Å; H71-H73 PolarHBondContact O-N 2.94Å; H73-Q124 VanDerWaalsContact CE1-CD 3.44Å; H73-Q124 PolarHBondContact CE1-OE1 3.17Å; H73-Q124 PolarHBondContact ND1-OE1 3.05Å; H73-Q124 VanDerWaalsContact ND1-OE1 3.16Å; H73-E127 IonicContact CD2-OE2 3.1Å; H73-E127 IonicContact NE2-OE2 3.52Å; H73-A128 HydrophobicContact CB-CB 3.96Å; H73-A128 WeakPolarHBondContact O-CB 3.46Å; H73-V158 PolarHBondContact ND1-O 3.33Å; H73-K159 CarbonylContact O-C 3.46Å; H73-K159 WeakPolarHBondContact O-CA 3.47Å; H73-L160 PolarHBondContact O-N 3.2Å
74I98.1Very high95Very high3 Ų351.6 Ų51.62%0.01528%0.282CS..BIsolated β-bridgetrans-123136.9172.1-64.5178000108L69 H71 E76 A128 Y131 L160 F163L69-I74 HydrophobicContact CB-CD1 4.29Å; L69-I74 HydrophobicContact CB-CG2 4.19Å; L69-I74 HydrophobicContact CD1-CD1 4.41Å; L69-I74 HydrophobicContact CD2-CD1 4.3Å; H71-I74 HydrophobicContact CB-CB 4.07Å; H71-I74 HydrophobicContact CB-CD1 3.82Å; H71-I74 HydrophobicContact CB-CG1 3.9Å; H71-I74 PolarHBondContact O-N 3.01Å; I74-E76 PolarHBondContact O-N 2.75Å; I74-A128 HydrophobicContact CD1-CB 4.45Å; I74-A128 HydrophobicContact CG1-CB 3.84Å; I74-Y131 HydrophobicContact CD1-CD1 3.71Å; I74-Y131 HydrophobicContact CD1-CE1 4.31Å; I74-L160 CarbonylContact C-O 3.58Å; I74-L160 WeakPolarHBondContact CA-O 3.34Å; I74-F163 HydrophobicContact CD1-CZ 4.39Å; I74-F163 HydrophobicContact CG2-CE2 3.74Å; I74-F163 HydrophobicContact CG2-CZ 3.84Å
75V96.6Very high94.6Very high16 Ų1649.9 Ų49.910%0.09728%0.276CS..PPolyproline II helixtrans-67.1117.2176.2179.90000108.6L77 F91 E92 M94 V148 K159 L160V75-L77 PolarHBondContact O-N 2.74Å; V75-F91 HydrophobicContact CG1-CB 4.04Å; V75-F91 HydrophobicContact CG1-CD1 4Å; V75-F91 HydrophobicContact CG1-CG 4.39Å; V75-E92 WeakPolarHBondContact CA-OE1 3.37Å; V75-E92 HydrophobicContact CG1-CG 3.9Å; V75-M94 HydrophobicContact CG2-CE 4.34Å; V75-M94 HydrophobicContact CG2-CG 4.33Å; V75-M94 HydrophobicContact CG2-SD 4.41Å; V75-V148 HydrophobicContact CG2-CG2 3.99Å; V75-K159 HydrophobicContact CG2-CB 3.74Å; V75-L160 PolarHBondContact N-O 2.83Å
76E97Very high94.5Very high82 Ų8252.4 Ų52.438%0.38329%0.289SS..PPolyproline II helixtrans-75.9125-173.9-176171.4-178.100112K70 I74 F91 E92K70-E76 HydrophobicContact CD-CG 3.98Å; K70-E76 WeakPolarHBondContact CD-OE1 3.39Å; K70-E76 VanDerWaalsContact NZ-CG 3.27Å; K70-E76 IonicContact NZ-OE1 2.89Å; K70-E76 PolarHBondContact NZ-OE1 2.98Å; I74-E76 PolarHBondContact O-N 2.75Å; E76-F91 VanDerWaalsContact O-CA 3.28Å; E76-F91 WeakPolarHBondContact O-CA 3.36Å; E76-E92 HydrophobicContact CB-CG 4.36Å; E76-E92 PolarHBondContact N-OE1 2.94Å; E76-E92 PolarHBondContact O-N 2.94Å
77L97Very high94.4Very high1 Ų153.3 Ų53.31%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-79.9119.5162.3-178.671.9000109.2C66 H67 K70 V75 T80 M89 I90 F91C66-L77 HydrophobicContact CB-CB 3.78Å; C66-L77 HydrophobicContact CB-CD2 3.56Å; C66-L77 HydrophobicContact CB-CG 4.26Å; H67-L77 HydrophobicContact CB-CD2 4.34Å; K70-L77 PolarHBondContact NZ-O 2.91Å; V75-L77 PolarHBondContact O-N 2.74Å; L77-T80 HydrophobicContact CD1-CG2 4.21Å; L77-T80 HydrophobicContact CD2-CG2 3.95Å; L77-T80 HydrophobicContact CG-CG2 4.46Å; L77-M89 HydrophobicContact CD1-CB 3.81Å; L77-M89 HydrophobicContact CD1-CE 4.19Å; L77-M89 HydrophobicContact CD2-CE 4.1Å; L77-I90 WeakPolarHBondContact CD1-O 3.4Å; L77-F91 HydrophobicContact CB-CD1 4Å; L77-F91 HydrophobicContact CB-CE1 3.81Å; L77-F91 HydrophobicContact CD1-CD1 4.07Å; L77-F91 HydrophobicContact CD1-CD2 4.19Å; L77-F91 HydrophobicContact CD1-CE1 3.82Å; L77-F91 HydrophobicContact CD1-CE2 3.94Å; L77-F91 HydrophobicContact CD1-CG 4.27Å; L77-F91 HydrophobicContact CD1-CZ 3.76Å; L77-F91 HydrophobicContact CG-CE1 4.38Å
78V95.3Very high94.4Very high46 Ų4648.9 Ų48.928%0.27927%0.272SS..EExtended strand (participates in β ladder)trans-83.3-56.6-178.4-176.10000109.7Y38 I90Y38-V78 HydrophobicContact CD1-CG2 4.06Å; Y38-V78 HydrophobicContact CE1-CG2 3.8Å; V78-I90 HydrophobicContact CB-CG2 4.38Å; V78-I90 WeakPolarHBondContact CB-O 3.1Å; V78-I90 PolarHBondContact N-O 3.35Å
79E94.2Very high94.4Very high46 Ų4645 Ų4522%0.21525%0.251CS..EExtended strand (participates in β ladder)trans-160.4167.5-174.156.6-173.6133.800111.9Y12 R31 Y81 I90Y12-E79 PolarHBondContact OH-OE1 2.92Å; R31-E79 IonicContact NH1-OE1 3.65Å; E79-Y81 VanDerWaalsContact CD-OH 3.31Å; E79-Y81 HydrophobicContact CG-CE2 3.79Å; E79-Y81 WeakPolarHBondContact OE2-CE2 3.23Å; E79-Y81 VanDerWaalsContact OE2-CZ 3.24Å; E79-Y81 PolarHBondContact OE2-OH 2.81Å; E79-I90 HydrophobicContact CG-CB 3.91Å; E79-I90 HydrophobicContact CG-CG1 3.85Å; E79-I90 WeakPolarHBondContact O-CB 3.46Å; E79-I90 PolarHBondContact O-N 3.1Å
80T94.8Very high94.5Very high69 Ų6944.9 Ų44.942%0.42325%0.251SS..EExtended strand (participates in β ladder)trans-133.614518057.20000111.6A63 L77 Y88 M89A63-T80 HydrophobicContact CB-CG2 4.44Å; L77-T80 HydrophobicContact CD1-CG2 4.21Å; L77-T80 HydrophobicContact CD2-CG2 3.95Å; L77-T80 HydrophobicContact CG-CG2 4.46Å; T80-Y88 CarbonylContact C-O 3.56Å; T80-Y88 WeakPolarHBondContact CA-O 3.49Å; T80-M89 HydrophobicContact CG2-CB 4.46Å; T80-M89 HydrophobicContact CG2-CG 4.13Å
81Y94.9Very high94.5Very high35 Ų3542.1 Ų42.114%0.13724%0.239CC..EExtended strand (participates in β ladder)trans-128.8154.3175-59.9-100.4000110.1A6 F8 V11 Y12 E79 Y88 I90A6-Y81 WeakPolarHBondContact O-CD1 3.28Å; A6-Y81 WeakPolarHBondContact O-CE1 3.33Å; F8-Y81 HydrophobicContact CB-CD1 4.3Å; F8-Y81 HydrophobicContact CB-CD2 4.44Å; F8-Y81 HydrophobicContact CB-CG 3.99Å; F8-Y81 HydrophobicContact CD2-CD2 4.22Å; V11-Y81 HydrophobicContact CG2-CE1 4.34Å; Y12-Y81 HydrophobicContact CD2-CE2 4.12Å; Y12-Y81 AromaticContact CE2-CE2 3.78Å; Y12-Y81 HydrophobicContact CE2-CE2 3.78Å; E79-Y81 VanDerWaalsContact CD-OH 3.31Å; E79-Y81 HydrophobicContact CG-CE2 3.79Å; E79-Y81 WeakPolarHBondContact OE2-CE2 3.23Å; E79-Y81 VanDerWaalsContact OE2-CZ 3.24Å; E79-Y81 PolarHBondContact OE2-OH 2.81Å; Y81-Y88 PolarHBondContact N-O 3.4Å; Y81-Y88 PolarHBondContact O-N 2.89Å; Y81-I90 HydrophobicContact CD2-CG1 4.15Å; Y81-I90 HydrophobicContact CE2-CG1 4.03Å
82S91.2Very high94.4Very high93 Ų9342 Ų4265%0.6524%0.238SC*.EExtended strand (participates in β ladder)trans-139.3123.4170.8-174.70000109.9M86S82-M86 VanDerWaalsContact CA-O 3.32Å; S82-M86 WeakPolarHBondContact CA-O 3.16Å; S82-M86 PolarHBondContact OG-O 3.4Å
83S89.9Confident94.4Very high15 Ų1540.5 Ų40.511%0.10522%0.222CC..EExtended strand (participates in β ladder)trans-153.5146.3179.454.30000109.5G85 M86 Y88S83-G85 VanDerWaalsContact C-N 3.28Å; S83-G85 PolarHBondContact O-N 2.96Å; S83-G85 VanDerWaalsContact O-N 3.14Å; S83-M86 PolarHBondContact N-O 2.73Å; S83-M86 VanDerWaalsContact N-O 3.16Å; S83-M86 WeakPolarHBondContact O-CA 3.46Å; S83-M86 WeakPolarHBondContact O-CB 3.41Å; S83-M86 PolarHBondContact O-N 3.11Å; S83-Y88 WeakPolarHBondContact OG-CE2 3.49Å
84D86.7Confident94.1Very high152 Ų15240.6 Ų40.681%0.81322%0.222SC*.THydrogen-bonded Turntrans50.539.1174.1-56.4-34.6000115.7M86D84-M86 PolarHBondContact O-N 2.84Å
85G87.1Confident93.7Very high36 Ų3645.6 Ų45.637%0.37124%0.244SC..THydrogen-bonded Turntrans73.66.2-178.500000114.4V45 S83V45-G85 WeakPolarHBondContact CB-O 3.12Å; V45-G85 VanDerWaalsContact CG2-O 3.32Å; V45-G85 WeakPolarHBondContact CG2-O 3.46Å; V45-G85 PolarHBondContact N-O 2.85Å; S83-G85 VanDerWaalsContact C-N 3.28Å; S83-G85 PolarHBondContact O-N 2.96Å; S83-G85 VanDerWaalsContact O-N 3.14Å
86M92Very high93.2Very high55 Ų5545.5 Ų45.527%0.27125%0.246SC..EExtended strand (participates in β ladder)trans-104145.2176.6-60.5-70.9168.500110.7I42 V43 D44 S82 S83 D84 Y88I42-M86 HydrophobicContact CG2-CB 4.28Å; I42-M86 HydrophobicContact CG2-CG 4.5Å; I42-M86 HydrophobicContact CG2-SD 4.2Å; V43-M86 CarbonylContact O-C 3.56Å; V43-M86 WeakPolarHBondContact O-CA 3.43Å; D44-M86 VanDerWaalsContact CA-SD 3.53Å; D44-M86 HydrophobicContact CB-CE 4Å; D44-M86 HydrophobicContact CB-SD 3.87Å; S82-M86 VanDerWaalsContact CA-O 3.32Å; S82-M86 WeakPolarHBondContact CA-O 3.16Å; S82-M86 PolarHBondContact OG-O 3.4Å; S83-M86 PolarHBondContact N-O 2.73Å; S83-M86 VanDerWaalsContact N-O 3.16Å; S83-M86 WeakPolarHBondContact O-CA 3.46Å; S83-M86 WeakPolarHBondContact O-CB 3.41Å; S83-M86 PolarHBondContact O-N 3.11Å; D84-M86 PolarHBondContact O-N 2.84Å; M86-Y88 HydrophobicContact CB-CD2 4.32Å; M86-Y88 HydrophobicContact CB-CE2 3.53Å
87L93.2Very high92.7Very high24 Ų2443.4 Ų43.413%0.12624%0.243CC..EExtended strand (participates in β ladder)trans-111124.5169174.569.6000108.9I42 V43 V45 L59 M89I42-L87 CarbonylContact C-O 3.54Å; I42-L87 WeakPolarHBondContact CA-O 3.5Å; V43-L87 HydrophobicContact CB-CB 4.3Å; V43-L87 PolarHBondContact N-O 3.41Å; V43-L87 PolarHBondContact O-N 3.33Å; V45-L87 HydrophobicContact CG2-CB 3.87Å; L59-L87 HydrophobicContact CB-CD2 3.85Å; L59-L87 HydrophobicContact CD1-CD2 4.16Å; L59-L87 HydrophobicContact CD2-CD2 4.37Å; L59-L87 HydrophobicContact CG-CD2 4.35Å; L87-M89 HydrophobicContact CD2-CG 4.36Å; L87-M89 HydrophobicContact CD2-SD 4.31Å; L87-M89 HydrophobicContact CG-CG 4.21Å
88Y95.7Very high92.4Very high22 Ų2244.1 Ų44.19%0.08625%0.247CC..EExtended strand (participates in β ladder)trans-109.2123.3178.7-55.3-104000108.9F8 V40 K41 I42 T80 Y81 S83 M86F8-Y88 HydrophobicContact CB-CD1 4.25Å; F8-Y88 HydrophobicContact CB-CD2 4.2Å; F8-Y88 HydrophobicContact CB-CE1 4.46Å; F8-Y88 HydrophobicContact CB-CE2 4.42Å; F8-Y88 HydrophobicContact CB-CG 4.13Å; F8-Y88 AromaticContact CD1-CD1 3.63Å; F8-Y88 HydrophobicContact CD1-CD1 3.63Å; F8-Y88 AromaticContact CD1-CE1 3.49Å; F8-Y88 HydrophobicContact CD1-CE1 3.49Å; F8-Y88 VanDerWaalsContact CD1-CE1 3.49Å; F8-Y88 HydrophobicContact CD1-CG 4.35Å; F8-Y88 AromaticContact CD2-CD1 3.74Å; F8-Y88 HydrophobicContact CD2-CD1 3.74Å; F8-Y88 HydrophobicContact CD2-CE1 4.45Å; F8-Y88 AromaticContact CD2-CG 3.97Å; F8-Y88 HydrophobicContact CD2-CG 3.97Å; F8-Y88 AromaticContact CE1-CD1 3.91Å; F8-Y88 HydrophobicContact CE1-CD1 3.91Å; F8-Y88 AromaticContact CE1-CE1 3.82Å; F8-Y88 HydrophobicContact CE1-CE1 3.82Å; F8-Y88 AromaticContact CE2-CD1 3.99Å; F8-Y88 HydrophobicContact CE2-CD1 3.99Å; F8-Y88 AromaticContact CG-CD1 3.56Å; F8-Y88 HydrophobicContact CG-CD1 3.56Å; F8-Y88 HydrophobicContact CG-CD2 4.37Å; F8-Y88 AromaticContact CG-CE1 3.86Å; F8-Y88 HydrophobicContact CG-CE1 3.86Å; F8-Y88 AromaticContact CG-CG 3.86Å; F8-Y88 HydrophobicContact CG-CG 3.86Å; F8-Y88 HydrophobicContact CZ-CD1 4.09Å; F8-Y88 HydrophobicContact CZ-CE1 4.42Å; V40-Y88 HydrophobicContact CG2-CD1 4.03Å; K41-Y88 WeakPolarHBondContact O-CA 3.32Å; I42-Y88 HydrophobicContact CB-CD1 4.4Å; I42-Y88 HydrophobicContact CD1-CD1 4.24Å; I42-Y88 HydrophobicContact CD1-CE1 4.04Å; I42-Y88 HydrophobicContact CG1-CD1 3.79Å; I42-Y88 HydrophobicContact CG1-CE1 4.02Å; I42-Y88 HydrophobicContact CG2-CD1 4.06Å; I42-Y88 HydrophobicContact CG2-CE1 3.79Å; T80-Y88 CarbonylContact C-O 3.56Å; T80-Y88 WeakPolarHBondContact CA-O 3.49Å; Y81-Y88 PolarHBondContact N-O 3.4Å; Y81-Y88 PolarHBondContact O-N 2.89Å; S83-Y88 WeakPolarHBondContact OG-CE2 3.49Å; M86-Y88 HydrophobicContact CB-CD2 4.32Å; M86-Y88 HydrophobicContact CB-CE2 3.53Å
89M95.3Very high92.3Very high0 Ų042 Ų420%023%0.234CC..EExtended strand (participates in β ladder)trans-116.5114176.5-59.2178.269.200109V40 K41 E62 A63 L77 T80 L87 F91V40-M89 WeakPolarHBondContact CA-O 3.38Å; K41-M89 HydrophobicContact CB-CB 4.3Å; K41-M89 HydrophobicContact CD-SD 4.33Å; K41-M89 PolarHBondContact N-O 2.91Å; K41-M89 PolarHBondContact O-N 2.83Å; E62-M89 HydrophobicContact CG-CE 4.15Å; A63-M89 HydrophobicContact CB-CE 3.96Å; L77-M89 HydrophobicContact CD1-CB 3.81Å; L77-M89 HydrophobicContact CD1-CE 4.19Å; L77-M89 HydrophobicContact CD2-CE 4.1Å; T80-M89 HydrophobicContact CG2-CB 4.46Å; T80-M89 HydrophobicContact CG2-CG 4.13Å; L87-M89 HydrophobicContact CD2-CG 4.36Å; L87-M89 HydrophobicContact CD2-SD 4.31Å; L87-M89 HydrophobicContact CG-CG 4.21Å; M89-F91 HydrophobicContact CB-CD2 4.26Å; M89-F91 HydrophobicContact CB-CE2 3.56Å; M89-F91 HydrophobicContact CB-CZ 4.23Å; M89-F91 HydrophobicContact CE-CE2 4.31Å; M89-F91 HydrophobicContact CE-CZ 3.88Å; M89-F91 WeakPolarHBondContact O-CD2 3.47Å
90I97.1Very high92.3Very high0 Ų040 Ų400%023%0.225CC..EExtended strand (participates in β ladder)trans-92.4111.2-175.1-49.1-58000109.7F8 Y12 Y38 V40 L77 V78 E79 Y81F8-I90 HydrophobicContact CD2-CD1 4.01Å; F8-I90 HydrophobicContact CE2-CD1 3.65Å; Y12-I90 HydrophobicContact CD2-CD1 4.34Å; Y12-I90 HydrophobicContact CE1-CG2 4.02Å; Y12-I90 HydrophobicContact CE2-CD1 4.36Å; Y12-I90 HydrophobicContact CE2-CG1 4.09Å; Y38-I90 HydrophobicContact CD1-CG2 4.02Å; Y38-I90 HydrophobicContact CG-CG2 3.92Å; V40-I90 HydrophobicContact CB-CD1 3.71Å; V40-I90 HydrophobicContact CG2-CD1 3.55Å; L77-I90 WeakPolarHBondContact CD1-O 3.4Å; V78-I90 HydrophobicContact CB-CG2 4.38Å; V78-I90 WeakPolarHBondContact CB-O 3.1Å; V78-I90 PolarHBondContact N-O 3.35Å; E79-I90 HydrophobicContact CG-CB 3.91Å; E79-I90 HydrophobicContact CG-CG1 3.85Å; E79-I90 WeakPolarHBondContact O-CB 3.46Å; E79-I90 PolarHBondContact O-N 3.1Å; Y81-I90 HydrophobicContact CD2-CG1 4.15Å; Y81-I90 HydrophobicContact CE2-CG1 4.03Å
91F96.9Very high92.2Very high29 Ų2939.2 Ų39.213%0.12722%0.216CC..EExtended strand (participates in β ladder)trans-105.5156.9175.5-64.2-89.9000110.8Y38 A39 K41 C66 V75 E76 L77 M89Y38-F91 WeakPolarHBondContact CB-O 3.34Å; Y38-F91 WeakPolarHBondContact CD1-O 3.41Å; A39-F91 PolarHBondContact N-O 2.87Å; A39-F91 PolarHBondContact O-N 3.31Å; K41-F91 HydrophobicContact CB-CE2 4.1Å; C66-F91 HydrophobicContact CB-CE1 4.4Å; V75-F91 HydrophobicContact CG1-CB 4.04Å; V75-F91 HydrophobicContact CG1-CD1 4Å; V75-F91 HydrophobicContact CG1-CG 4.39Å; E76-F91 VanDerWaalsContact O-CA 3.28Å; E76-F91 WeakPolarHBondContact O-CA 3.36Å; L77-F91 HydrophobicContact CB-CD1 4Å; L77-F91 HydrophobicContact CB-CE1 3.81Å; L77-F91 HydrophobicContact CD1-CD1 4.07Å; L77-F91 HydrophobicContact CD1-CD2 4.19Å; L77-F91 HydrophobicContact CD1-CE1 3.82Å; L77-F91 HydrophobicContact CD1-CE2 3.94Å; L77-F91 HydrophobicContact CD1-CG 4.27Å; L77-F91 HydrophobicContact CD1-CZ 3.76Å; L77-F91 HydrophobicContact CG-CE1 4.38Å; M89-F91 HydrophobicContact CB-CD2 4.26Å; M89-F91 HydrophobicContact CB-CE2 3.56Å; M89-F91 HydrophobicContact CB-CZ 4.23Å; M89-F91 HydrophobicContact CE-CE2 4.31Å; M89-F91 HydrophobicContact CE-CZ 3.88Å; M89-F91 WeakPolarHBondContact O-CD2 3.47Å
92E95.6Very high91.9Very high42 Ų4237.8 Ų37.820%0.19621%0.211CC..EExtended strand (participates in β ladder)trans-54.4143.2165.464.5177.2139.500111.7V75 E76 M94 K159V75-E92 WeakPolarHBondContact CA-OE1 3.37Å; V75-E92 HydrophobicContact CG1-CG 3.9Å; E76-E92 HydrophobicContact CB-CG 4.36Å; E76-E92 PolarHBondContact N-OE1 2.94Å; E76-E92 PolarHBondContact O-N 2.94Å; E92-M94 HydrophobicContact CG-SD 4.2Å; E92-K159 WeakPolarHBondContact OE1-CD 3.41Å; E92-K159 IonicContact OE1-NZ 3.61Å; E92-K159 PolarHBondContact OE1-NZ 2.96Å; E92-K159 IonicContact OE2-NZ 2.62Å; E92-K159 PolarHBondContact OE2-NZ 2.93Å
93Y94.9Very high92Very high59 Ų5933.5 Ų33.523%0.23118%0.18CC..PPolyproline II helixtrans-81.8123.2-179.8-178-122.2000111.8I18 R28 E37 A39 K95I18-Y93 HydrophobicContact CD1-CD2 4.47Å; I18-Y93 HydrophobicContact CD1-CE2 4.11Å; R28-Y93 HydrophobicContact CB-CE2 4.28Å; R28-Y93 HydrophobicContact CG-CD2 4.2Å; R28-Y93 HydrophobicContact CG-CE2 3.98Å; E37-Y93 HydrophobicContact CB-CD1 4.03Å; E37-Y93 HydrophobicContact CB-CG 4.36Å; A39-Y93 HydrophobicContact CB-CD2 4.29Å; Y93-K95 HydrophobicContact CD1-CG 3.86Å; Y93-K95 HydrophobicContact CE1-CG 3.64Å
94M92.4Very high92Very high27 Ų2733.5 Ų33.513%0.13318%0.18CC..PPolyproline II helixtrans-94.7116.7176.7-56.7-59.8-78.900109.6V75 E92 V148 A150 K159V75-M94 HydrophobicContact CG2-CE 4.34Å; V75-M94 HydrophobicContact CG2-CG 4.33Å; V75-M94 HydrophobicContact CG2-SD 4.41Å; E92-M94 HydrophobicContact CG-SD 4.2Å; M94-V148 HydrophobicContact CB-CG2 4.45Å; M94-V148 HydrophobicContact CE-CB 4.44Å; M94-V148 HydrophobicContact CE-CG2 3.7Å; M94-V148 HydrophobicContact CG-CG2 4.07Å; M94-A150 HydrophobicContact CE-CB 3.87Å; M94-A150 HydrophobicContact SD-CB 4.44Å; M94-K159 HydrophobicContact CE-CB 3.63Å; M94-K159 HydrophobicContact CE-CD 3.71Å; M94-K159 HydrophobicContact CE-CG 3.71Å; M94-K159 HydrophobicContact SD-CD 4Å
95K89.8Confident92Very high108 Ų10831.4 Ų31.447%0.4716%0.163SC..  trans-82.6-19.8-179.2-69.5180-179.8-176.20113.2E37 Y93 A150 K152E37-K95 WeakPolarHBondContact OE2-CE 3.02Å; E37-K95 IonicContact OE2-NZ 3.79Å; Y93-K95 HydrophobicContact CD1-CG 3.86Å; Y93-K95 HydrophobicContact CE1-CG 3.64Å; K95-A150 PolarHBondContact N-O 3.19Å; K95-A150 VanDerWaalsContact N-O 3.1Å; K95-K152 WeakPolarHBondContact O-CE 3.17Å; K95-K152 WeakPolarHBondContact O-CG 3.32Å
96G86.6Confident91.9Very high14 Ų1430.2 Ų30.214%0.14415%0.147CC..SBendtrans-82.4167.617400000112.1L149G96-L149 WeakPolarHBondContact CA-O 3.41Å; G96-L149 PolarHBondContact N-O 2.72Å; G96-L149 VanDerWaalsContact N-O 3.12Å
97A87.2Confident91.5Very high39 Ų3928.2 Ų28.232%0.32214%0.14SC..  trans-91.4-176.5172.500000111.1F101 L149A97-F101 HydrophobicContact CB-CB 4.28Å; A97-L149 PolarHBondContact O-N 2.92Å; A97-L149 VanDerWaalsContact O-N 3.16Å
98D89.9Confident90.9Very high15 Ų1531.7 Ų31.78%0.0816%0.162CC..BIsolated β-bridgetrans-57.6149.4165.487.946000111.4A100 F101 E102 V147 V148 R321D98-A100 VanDerWaalsContact C-N 3.27Å; D98-A100 PolarHBondContact O-N 3.14Å; D98-A100 PolarHBondContact OD1-N 2.76Å; D98-A100 VanDerWaalsContact OD1-N 3.08Å; D98-F101 HydrophobicContact CB-CD2 4.47Å; D98-F101 PolarHBondContact O-N 3.03Å; D98-F101 WeakPolarHBondContact OD1-CD2 3.3Å; D98-F101 PolarHBondContact OD1-N 2.99Å; D98-F101 WeakPolarHBondContact OD2-CD2 3.39Å; D98-F101 WeakPolarHBondContact OD2-CE2 3.13Å; D98-E102 PolarHBondContact O-N 3.26Å; D98-V147 WeakPolarHBondContact CA-O 3.37Å; D98-V148 HydrophobicContact CB-CG1 4.49Å; D98-R321 IonicContact OD1-NH1 3.53Å; D98-R321 PolarHBondContact OD1-NH1 3.29Å; D98-R321 IonicContact OD2-CZ 3.54Å; D98-R321 IonicContact OD2-NH1 2.77Å; D98-R321 PolarHBondContact OD2-NH1 2.99Å; D98-R321 VanDerWaalsContact OD2-NH1 3.12Å; D98-R321 IonicContact OD2-NH2 3.53Å; D98-R321 PolarHBondContact OD2-NH2 3.24Å
99L93.8Very high90.1Very high3 Ų332.4 Ų32.42%0.01617%0.173CC..Hα-helixtrans-59.1-38.7-168.9-179.359.6000112.2E102 I103 Y121 I125 V147 L149 V158 L232L99-E102 PolarHBondContact O-N 2.79Å; L99-I103 HydrophobicContact CD1-CD1 4.1Å; L99-I103 HydrophobicContact CD1-CG1 4.24Å; L99-I103 HydrophobicContact CG-CD1 3.88Å; L99-I103 HydrophobicContact CG-CG1 4.48Å; L99-I103 WeakPolarHBondContact O-CB 2.94Å; L99-I103 WeakPolarHBondContact O-CD1 3.3Å; L99-I103 WeakPolarHBondContact O-CG1 3.14Å; L99-I103 PolarHBondContact O-N 2.77Å; L99-Y121 HydrophobicContact CD1-CD1 4.15Å; L99-Y121 HydrophobicContact CD1-CD2 3.72Å; L99-Y121 HydrophobicContact CD1-CE1 4.16Å; L99-Y121 HydrophobicContact CD1-CE2 3.71Å; L99-Y121 HydrophobicContact CD1-CG 3.94Å; L99-Y121 HydrophobicContact CD2-CD2 4.22Å; L99-Y121 HydrophobicContact CD2-CG 4.15Å; L99-Y121 HydrophobicContact CG-CD2 4.43Å; L99-I125 HydrophobicContact CD2-CD1 4.29Å; L99-V147 HydrophobicContact CB-CB 4.37Å; L99-V147 HydrophobicContact CB-CG1 3.9Å; L99-V147 WeakPolarHBondContact CB-O 3.43Å; L99-V147 HydrophobicContact CD2-CG1 3.73Å; L99-V147 HydrophobicContact CG-CG1 4.45Å; L99-V147 PolarHBondContact N-O 3.02Å; L99-L149 HydrophobicContact CD1-CD1 4.02Å; L99-L149 HydrophobicContact CD1-CD2 4.43Å; L99-L149 HydrophobicContact CD1-CG 4.25Å; L99-V158 HydrophobicContact CD1-CG2 4.18Å; L99-V158 HydrophobicContact CD2-CG2 4.4Å; L99-L232 HydrophobicContact CD2-CD1 4.4Å; L99-L232 HydrophobicContact CD2-CD2 3.86Å; L99-L232 HydrophobicContact CG-CD2 4.28Å
100A94Very high89.3Confident3 Ų333.8 Ų33.83%0.02519%0.187CC..Hα-helixtrans-68.3-42.9-178.900000111.3D98 V104 P144 M314 F317 N318D98-A100 VanDerWaalsContact C-N 3.27Å; D98-A100 PolarHBondContact O-N 3.14Å; D98-A100 PolarHBondContact OD1-N 2.76Å; D98-A100 VanDerWaalsContact OD1-N 3.08Å; A100-V104 PolarHBondContact O-N 3.3Å; A100-P144 HydrophobicContact CB-CB 4.4Å; A100-M314 HydrophobicContact CB-CG 4.25Å; A100-M314 HydrophobicContact CB-SD 4.06Å; A100-F317 HydrophobicContact CB-CE1 4.43Å; A100-N318 WeakPolarHBondContact CB-OD1 3.43Å; A100-N318 PolarHBondContact O-ND2 3.05Å
101F91.1Very high88.4Confident52 Ų5236.5 Ų36.523%0.22820%0.199CC..Hα-helixtrans-64.3-41.8174.6-75.5-56.9000112A97 D98 V104 K105 N318 K322A97-F101 HydrophobicContact CB-CB 4.28Å; D98-F101 HydrophobicContact CB-CD2 4.47Å; D98-F101 PolarHBondContact O-N 3.03Å; D98-F101 WeakPolarHBondContact OD1-CD2 3.3Å; D98-F101 PolarHBondContact OD1-N 2.99Å; D98-F101 WeakPolarHBondContact OD2-CD2 3.39Å; D98-F101 WeakPolarHBondContact OD2-CE2 3.13Å; F101-V104 PolarHBondContact O-N 2.77Å; F101-K105 VanDerWaalsContact O-CB 3.29Å; F101-K105 WeakPolarHBondContact O-CB 3.44Å; F101-K105 PolarHBondContact O-N 2.95Å; F101-N318 HydrophobicContact CD1-CB 3.76Å; F101-N318 HydrophobicContact CE1-CB 3.48Å; F101-N318 VanDerWaalsContact CE1-CB 3.48Å; F101-N318 HydrophobicContact CZ-CB 4.36Å; F101-N318 PolarHBondContact N-ND2 3.29Å; F101-K322 HydrophobicContact CE1-CD 4.01Å; F101-K322 HydrophobicContact CE1-CG 3.74Å; F101-K322 HydrophobicContact CZ-CD 4.41Å; F101-K322 HydrophobicContact CZ-CG 3.67Å
102E90.4Very high87.8Confident6 Ų636.2 Ų36.23%0.02820%0.2CC..Hα-helixtrans-71.1-33.5-177.2-163.467.9-155.600111.8D98 L99 K105 R106 L149D98-E102 PolarHBondContact O-N 3.26Å; L99-E102 PolarHBondContact O-N 2.79Å; E102-K105 PolarHBondContact O-N 3.2Å; E102-K105 IonicContact OE1-NZ 3.64Å; E102-K105 PolarHBondContact OE1-NZ 2.96Å; E102-K105 IonicContact OE2-NZ 3.46Å; E102-K105 PolarHBondContact OE2-NZ 3.47Å; E102-K105 VanDerWaalsContact OE2-NZ 3.14Å; E102-R106 HydrophobicContact CG-CG 4.22Å; E102-R106 VanDerWaalsContact O-CB 3.27Å; E102-R106 WeakPolarHBondContact O-CB 3.4Å; E102-R106 WeakPolarHBondContact O-CG 3.39Å; E102-R106 PolarHBondContact O-N 3.22Å; E102-R106 IonicContact OE1-NE 2.88Å; E102-L149 HydrophobicContact CB-CD1 3.62Å; E102-L149 HydrophobicContact CG-CD1 3.44Å; E102-L149 VanDerWaalsContact CG-CD1 3.44Å
103I91.6Very high87.5Confident3 Ų334.3 Ų34.32%0.01519%0.191CC..Hα-helixtrans-57.6-53.3171.5-74161.8000110.7L99 K105 R106 A107 Y113 Y121 L232 V311 M314L99-I103 HydrophobicContact CD1-CD1 4.1Å; L99-I103 HydrophobicContact CD1-CG1 4.24Å; L99-I103 HydrophobicContact CG-CD1 3.88Å; L99-I103 HydrophobicContact CG-CG1 4.48Å; L99-I103 WeakPolarHBondContact O-CB 2.94Å; L99-I103 WeakPolarHBondContact O-CD1 3.3Å; L99-I103 WeakPolarHBondContact O-CG1 3.14Å; L99-I103 PolarHBondContact O-N 2.77Å; I103-K105 VanDerWaalsContact C-N 3.34Å; I103-K105 PolarHBondContact O-N 2.93Å; I103-R106 PolarHBondContact O-N 3.05Å; I103-A107 VanDerWaalsContact O-CB 3.31Å; I103-A107 WeakPolarHBondContact O-CB 3.07Å; I103-A107 PolarHBondContact O-N 2.9Å; I103-Y113 HydrophobicContact CB-CD2 4.46Å; I103-Y113 HydrophobicContact CB-CE2 4.45Å; I103-Y113 HydrophobicContact CD1-CD2 4.38Å; I103-Y113 HydrophobicContact CD1-CE2 3.58Å; I103-Y113 HydrophobicContact CG1-CD2 4.03Å; I103-Y113 HydrophobicContact CG1-CE2 3.7Å; I103-Y113 HydrophobicContact CG2-CD1 3.89Å; I103-Y113 HydrophobicContact CG2-CD2 3.63Å; I103-Y113 HydrophobicContact CG2-CE1 4.06Å; I103-Y113 HydrophobicContact CG2-CE2 3.84Å; I103-Y113 HydrophobicContact CG2-CG 3.66Å; I103-Y121 HydrophobicContact CD1-CD2 4.48Å; I103-Y121 HydrophobicContact CD1-CE2 4.36Å; I103-Y121 HydrophobicContact CG1-CE2 4.14Å; I103-L232 HydrophobicContact CD1-CD2 3.59Å; I103-V311 HydrophobicContact CG2-CG2 4.5Å; I103-M314 HydrophobicContact CB-SD 3.78Å; I103-M314 HydrophobicContact CD1-CE 4.18Å; I103-M314 HydrophobicContact CD1-SD 3.94Å; I103-M314 HydrophobicContact CG1-SD 4.49Å; I103-M314 HydrophobicContact CG2-CE 4.44Å; I103-M314 HydrophobicContact CG2-SD 3.66Å
104V90.2Very high87.3Confident15 Ų1531.8 Ų31.89%0.09118%0.182CC..Hα-helixtrans-61.3-45.6-179.2174.30000110.6A100 F101 R106 A107 T108 M314 R315 N318A100-V104 PolarHBondContact O-N 3.3Å; F101-V104 PolarHBondContact O-N 2.77Å; V104-R106 PolarHBondContact O-N 3.25Å; V104-A107 PolarHBondContact O-N 2.64Å; V104-T108 WeakPolarHBondContact O-CB 3.26Å; V104-T108 PolarHBondContact O-N 3.2Å; V104-T108 PolarHBondContact O-OG1 2.93Å; V104-T108 VanDerWaalsContact O-OG1 3.13Å; V104-M314 HydrophobicContact CG2-CB 3.91Å; V104-M314 HydrophobicContact CG2-CG 3.83Å; V104-M314 HydrophobicContact CG2-SD 4.3Å; V104-R315 HydrophobicContact CG1-CB 3.92Å; V104-R315 HydrophobicContact CG1-CG 4.07Å; V104-R315 HydrophobicContact CG2-CB 4.32Å; V104-N318 WeakPolarHBondContact CG2-ND2 3.43Å
105K86.9Confident87.5Confident108 Ų10830.6 Ų30.647%0.4718%0.176SC..Hα-helixtrans-60.2-46.6178.8179.4-175.3163.1-150.10112.2F101 E102 I103 A109F101-K105 VanDerWaalsContact O-CB 3.29Å; F101-K105 WeakPolarHBondContact O-CB 3.44Å; F101-K105 PolarHBondContact O-N 2.95Å; E102-K105 PolarHBondContact O-N 3.2Å; E102-K105 IonicContact OE1-NZ 3.64Å; E102-K105 PolarHBondContact OE1-NZ 2.96Å; E102-K105 IonicContact OE2-NZ 3.46Å; E102-K105 PolarHBondContact OE2-NZ 3.47Å; E102-K105 VanDerWaalsContact OE2-NZ 3.14Å; I103-K105 VanDerWaalsContact C-N 3.34Å; I103-K105 PolarHBondContact O-N 2.93Å; K105-A109 WeakPolarHBondContact O-CB 3.3Å; K105-A109 PolarHBondContact O-N 3.49Å
106R85.5Confident87.5Confident10 Ų1026.6 Ų26.64%0.03816%0.163CC..Hα-helixtrans-63.7-43.9177.1-73.5177.3-174.2-164.5-1.9110.7E102 I103 V104 A109 G110 F111 Y121 E153 N154E102-R106 HydrophobicContact CG-CG 4.22Å; E102-R106 VanDerWaalsContact O-CB 3.27Å; E102-R106 WeakPolarHBondContact O-CB 3.4Å; E102-R106 WeakPolarHBondContact O-CG 3.39Å; E102-R106 PolarHBondContact O-N 3.22Å; E102-R106 IonicContact OE1-NE 2.88Å; I103-R106 PolarHBondContact O-N 3.05Å; V104-R106 PolarHBondContact O-N 3.25Å; R106-A109 CarbonylContact O-C 3.5Å; R106-A109 WeakPolarHBondContact O-CA 3.25Å; R106-A109 WeakPolarHBondContact O-CB 3.39Å; R106-A109 PolarHBondContact O-N 3.35Å; R106-G110 PolarHBondContact O-N 3.29Å; R106-F111 HydrophobicContact CB-CB 3.72Å; R106-F111 HydrophobicContact CB-CD1 4.18Å; R106-F111 HydrophobicContact CB-CG 4.08Å; R106-F111 WeakPolarHBondContact O-CB 3.37Å; R106-F111 PolarHBondContact O-N 3.42Å; R106-Y121 PolarHBondContact NH1-OH 2.89Å; R106-E153 PolarHBondContact NH2-O 3.31Å; R106-N154 PolarHBondContact NH1-O 2.7Å; R106-N154 VanDerWaalsContact NH1-O 3.11Å
107A83Confident87.8Confident14 Ų1427.2 Ų27.212%0.11616%0.164CC..Hα-helixtrans-65.7-41.8179.700000112.9I103 V104 A109 G110 F111 V311I103-A107 VanDerWaalsContact O-CB 3.31Å; I103-A107 WeakPolarHBondContact O-CB 3.07Å; I103-A107 PolarHBondContact O-N 2.9Å; V104-A107 PolarHBondContact O-N 2.64Å; A107-A109 PolarHBondContact O-N 2.89Å; A107-G110 WeakPolarHBondContact O-CA 3.47Å; A107-G110 PolarHBondContact O-N 2.75Å; A107-F111 VanDerWaalsContact CA-O 3.3Å; A107-F111 WeakPolarHBondContact CA-O 3.41Å; A107-V311 HydrophobicContact CB-CB 4.27Å; A107-V311 HydrophobicContact CB-CG1 3.5Å; A107-V311 HydrophobicContact CB-CG2 3.75Å
108T81.3Confident88.2Confident97 Ų9725.3 Ų25.360%0.59515%0.149SC*.Hα-helixtrans-61.7-29.6170.9-64.20000111.9V104 G110 R315V104-T108 WeakPolarHBondContact O-CB 3.26Å; V104-T108 PolarHBondContact O-N 3.2Å; V104-T108 PolarHBondContact O-OG1 2.93Å; V104-T108 VanDerWaalsContact O-OG1 3.13Å; T108-G110 PolarHBondContact O-N 2.71Å; T108-R315 PolarHBondContact OG1-NH2 3.46Å
109A79Confident88.5Confident37 Ų3724.9 Ų24.931%0.30615%0.147SC..THydrogen-bonded Turntrans-79.62.3172.400000114.1K105 R106 A107 H638K105-A109 WeakPolarHBondContact O-CB 3.3Å; K105-A109 PolarHBondContact O-N 3.49Å; R106-A109 CarbonylContact O-C 3.5Å; R106-A109 WeakPolarHBondContact O-CA 3.25Å; R106-A109 WeakPolarHBondContact O-CB 3.39Å; R106-A109 PolarHBondContact O-N 3.35Å; A107-A109 PolarHBondContact O-N 2.89Å; A109-H638 WeakPolarHBondContact O-CB 3.45Å
110G77.8Confident88.5Confident29 Ų2928.7 Ų28.730%0.29916%0.164SC..THydrogen-bonded Turntrans98.9-1.5177.600000115.3R106 A107 T108R106-G110 PolarHBondContact O-N 3.29Å; A107-G110 WeakPolarHBondContact O-CA 3.47Å; A107-G110 PolarHBondContact O-N 2.75Å; T108-G110 PolarHBondContact O-N 2.71Å
111F78.9Confident88.6Confident56 Ų5628.9 Ų28.925%0.24616%0.164CC..  trans-68.1136.2176.9-177.8-93000111.3R106 A107 Y113 V117 N154R106-F111 HydrophobicContact CB-CB 3.72Å; R106-F111 HydrophobicContact CB-CD1 4.18Å; R106-F111 HydrophobicContact CB-CG 4.08Å; R106-F111 WeakPolarHBondContact O-CB 3.37Å; R106-F111 PolarHBondContact O-N 3.42Å; A107-F111 VanDerWaalsContact CA-O 3.3Å; A107-F111 WeakPolarHBondContact CA-O 3.41Å; F111-Y113 PolarHBondContact O-N 3.46Å; F111-V117 HydrophobicContact CE1-CG1 4.16Å; F111-V117 HydrophobicContact CE1-CG2 4.1Å; F111-V117 HydrophobicContact CZ-CG1 4.49Å; F111-V117 HydrophobicContact CZ-CG2 4.11Å; F111-N154 HydrophobicContact CE2-CB 4.49Å
112V83.4Confident88.9Confident24 Ų2426.4 Ų26.415%0.14515%0.153CC..  trans-88.7102.5-179.6166.90000111.7H306 W665V112-H306 HydrophobicContact CG1-CB 3.65Å; V112-H306 HydrophobicContact CG2-CB 4.34Å; V112-W665 HydrophobicContact CB-CG 4.22Å; V112-W665 HydrophobicContact CG2-CD2 3.99Å; V112-W665 VanDerWaalsContact CG2-CE2 3.44Å; V112-W665 HydrophobicContact CG2-CG 3.69Å; V112-W665 HydrophobicContact CG2-CZ2 4.18Å
113Y90Very high89.3Confident1 Ų129.1 Ų29.10%0.00416%0.163CC..  trans-75.7127168.5-170.9-113.9000110.5I103 F111 V117 A118 Y121 L232 H306 L307 T310 V311I103-Y113 HydrophobicContact CB-CD2 4.46Å; I103-Y113 HydrophobicContact CB-CE2 4.45Å; I103-Y113 HydrophobicContact CD1-CD2 4.38Å; I103-Y113 HydrophobicContact CD1-CE2 3.58Å; I103-Y113 HydrophobicContact CG1-CD2 4.03Å; I103-Y113 HydrophobicContact CG1-CE2 3.7Å; I103-Y113 HydrophobicContact CG2-CD1 3.89Å; I103-Y113 HydrophobicContact CG2-CD2 3.63Å; I103-Y113 HydrophobicContact CG2-CE1 4.06Å; I103-Y113 HydrophobicContact CG2-CE2 3.84Å; I103-Y113 HydrophobicContact CG2-CG 3.66Å; F111-Y113 PolarHBondContact O-N 3.46Å; Y113-V117 HydrophobicContact CD2-CB 4.25Å; Y113-V117 HydrophobicContact CD2-CG1 3.88Å; Y113-V117 HydrophobicContact CE2-CB 4.41Å; Y113-V117 HydrophobicContact CE2-CG1 3.99Å; Y113-A118 WeakPolarHBondContact OH-CB 3.27Å; Y113-Y121 HydrophobicContact CE2-CD2 4.46Å; Y113-Y121 HydrophobicContact CE2-CE2 4.27Å; Y113-L232 VanDerWaalsContact CE1-O 3.24Å; Y113-L232 WeakPolarHBondContact CE1-O 2.92Å; Y113-L232 PolarHBondContact OH-O 2.81Å; Y113-H306 PolarHBondContact N-ND1 3.07Å; Y113-H306 CarbonylContact O-C 3.56Å; Y113-H306 VanDerWaalsContact O-CA 3.32Å; Y113-H306 WeakPolarHBondContact O-CA 3.37Å; Y113-H306 PolarHBondContact O-ND1 3.4Å; Y113-L307 HydrophobicContact CD1-CB 4.37Å; Y113-L307 HydrophobicContact CE1-CD1 4.42Å; Y113-L307 PolarHBondContact O-N 3.17Å; Y113-T310 HydrophobicContact CD1-CG2 4.38Å; Y113-T310 HydrophobicContact CE1-CG2 3.9Å; Y113-V311 HydrophobicContact CD1-CG2 3.92Å; Y113-V311 HydrophobicContact CG-CG2 4.25Å
114S91.5Very high89.5Confident7 Ų729.2 Ų29.25%0.04916%0.164CC..  trans-145168.6-174.362.20000110.9A116 V117 A118 S303 T305S114-A116 PolarHBondContact O-N 3.46Å; S114-V117 WeakPolarHBondContact O-CB 3.37Å; S114-V117 PolarHBondContact O-N 2.87Å; S114-A118 PolarHBondContact O-N 3.24Å; S114-S303 WeakPolarHBondContact CB-O 3.21Å; S114-T305 WeakPolarHBondContact CA-O 3.13Å; S114-T305 WeakPolarHBondContact CB-O 3.23Å
115E94.8Very high89.9Confident1 Ų128.6 Ų28.61%0.00516%0.16CC..Hα-helixtrans-57.3-34.8173.5-74.1-171.9-142.300112.7V117 A118 S119 L233 I265 S266 W295 A302 S303 L307E115-V117 VanDerWaalsContact C-N 3.29Å; E115-V117 PolarHBondContact O-N 3.47Å; E115-A118 PolarHBondContact O-N 2.94Å; E115-S119 WeakPolarHBondContact O-CB 3.06Å; E115-S119 PolarHBondContact O-N 2.77Å; E115-L233 HydrophobicContact CG-CD2 3.95Å; E115-I265 WeakPolarHBondContact OE1-CA 3.46Å; E115-S266 WeakPolarHBondContact OE1-CB 3.46Å; E115-S266 PolarHBondContact OE1-N 3.42Å; E115-S266 VanDerWaalsContact OE2-CB 3.27Å; E115-S266 WeakPolarHBondContact OE2-CB 3.26Å; E115-S266 PolarHBondContact OE2-OG 3.21Å; E115-W295 HydrophobicContact CB-CZ2 3.86Å; E115-W295 HydrophobicContact CG-CZ2 4.29Å; E115-W295 WeakPolarHBondContact O-CZ2 3.28Å; E115-W295 PolarHBondContact OE2-NE1 3.36Å; E115-A302 HydrophobicContact CB-CB 4.43Å; E115-S303 WeakPolarHBondContact CB-O 3.45Å; E115-S303 PolarHBondContact N-O 2.84Å; E115-L307 HydrophobicContact CG-CD1 4.13Å
116A91.7Very high90.5Very high25 Ų2523.5 Ų23.521%0.20714%0.138CC..Hα-helixtrans-62.6-37.8176.100000112.2S114 H120 A302 S303 K304S114-A116 PolarHBondContact O-N 3.46Å; A116-H120 WeakPolarHBondContact O-CB 3.26Å; A116-H120 PolarHBondContact O-N 3.07Å; A116-A302 HydrophobicContact CB-CB 4Å; A116-S303 PolarHBondContact N-O 2.79Å; A116-K304 HydrophobicContact CB-CG 4.18Å
117V92.2Very high91.1Very high26 Ų2625.6 Ų25.616%0.15815%0.148CC..Hα-helixtrans-71.4-45.3175.3176.80000110.4F111 Y113 S114 E115 S119 H120 Y121F111-V117 HydrophobicContact CE1-CG1 4.16Å; F111-V117 HydrophobicContact CE1-CG2 4.1Å; F111-V117 HydrophobicContact CZ-CG1 4.49Å; F111-V117 HydrophobicContact CZ-CG2 4.11Å; Y113-V117 HydrophobicContact CD2-CB 4.25Å; Y113-V117 HydrophobicContact CD2-CG1 3.88Å; Y113-V117 HydrophobicContact CE2-CB 4.41Å; Y113-V117 HydrophobicContact CE2-CG1 3.99Å; S114-V117 WeakPolarHBondContact O-CB 3.37Å; S114-V117 PolarHBondContact O-N 2.87Å; E115-V117 VanDerWaalsContact C-N 3.29Å; E115-V117 PolarHBondContact O-N 3.47Å; V117-S119 VanDerWaalsContact C-N 3.34Å; V117-S119 PolarHBondContact O-N 2.92Å; V117-H120 WeakPolarHBondContact O-CB 3.4Å; V117-H120 PolarHBondContact O-N 2.86Å; V117-H120 VanDerWaalsContact O-N 3.15Å; V117-Y121 HydrophobicContact CG1-CD2 3.85Å; V117-Y121 HydrophobicContact CG1-CE2 3.28Å; V117-Y121 WeakPolarHBondContact O-CD2 3.46Å; V117-Y121 PolarHBondContact O-N 3.28Å
118A95.9Very high91.8Very high0 Ų025 Ų250%014%0.143CC..Hα-helixtrans-58.7-44.5175.700000112Y113 S114 E115 H120 Y121 L122 L232 L233 W295Y113-A118 WeakPolarHBondContact OH-CB 3.27Å; S114-A118 PolarHBondContact O-N 3.24Å; E115-A118 PolarHBondContact O-N 2.94Å; A118-H120 VanDerWaalsContact C-N 3.34Å; A118-H120 PolarHBondContact O-N 3.48Å; A118-Y121 PolarHBondContact O-N 3.42Å; A118-L122 WeakPolarHBondContact O-CB 3.32Å; A118-L122 PolarHBondContact O-N 2.88Å; A118-L232 HydrophobicContact CB-CB 4.34Å; A118-L233 HydrophobicContact CB-CD2 4.33Å; A118-W295 HydrophobicContact CB-CH2 4.14Å
119S96.3Very high92.6Very high6 Ų620.3 Ų20.34%0.04211%0.114CC..Hα-helixtrans-60.9-42.4174.5175.10000111.6E115 V117 Y121 L122 R123 W295E115-S119 WeakPolarHBondContact O-CB 3.06Å; E115-S119 PolarHBondContact O-N 2.77Å; V117-S119 VanDerWaalsContact C-N 3.34Å; V117-S119 PolarHBondContact O-N 2.92Å; S119-Y121 PolarHBondContact O-N 2.87Å; S119-L122 PolarHBondContact O-N 3.13Å; S119-R123 WeakPolarHBondContact O-CB 3.17Å; S119-R123 PolarHBondContact O-N 3.23Å; S119-W295 VanDerWaalsContact CA-CH2 3.48Å; S119-W295 VanDerWaalsContact CA-CZ3 3.42Å; S119-W295 PolarHBondContact OG-O 3.4Å
120H93.8Very high93.6Very high82 Ų8220.6 Ų20.638%0.3811%0.109SC..Hα-helixtrans-62.1-43.4176.9-175.771.9000112.6A116 V117 A118 Q124A116-H120 WeakPolarHBondContact O-CB 3.26Å; A116-H120 PolarHBondContact O-N 3.07Å; V117-H120 WeakPolarHBondContact O-CB 3.4Å; V117-H120 PolarHBondContact O-N 2.86Å; V117-H120 VanDerWaalsContact O-N 3.15Å; A118-H120 VanDerWaalsContact C-N 3.34Å; A118-H120 PolarHBondContact O-N 3.48Å; H120-Q124 PolarHBondContact CD2-NE2 2.81Å; H120-Q124 VanDerWaalsContact CD2-NE2 3.3Å; H120-Q124 PolarHBondContact NE2-NE2 2.7Å; H120-Q124 WeakPolarHBondContact O-CG 3.42Å; H120-Q124 PolarHBondContact O-N 3.23Å
121Y96Very high94.5Very high7 Ų721.7 Ų21.73%0.02711%0.105CC..Hα-helixtrans-67.3-48.4175.4-65.1-40000111.9L99 I103 R106 Y113 V117 A118 S119 R123 Q124 I125 L149 V158L99-Y121 HydrophobicContact CD1-CD1 4.15Å; L99-Y121 HydrophobicContact CD1-CD2 3.72Å; L99-Y121 HydrophobicContact CD1-CE1 4.16Å; L99-Y121 HydrophobicContact CD1-CE2 3.71Å; L99-Y121 HydrophobicContact CD1-CG 3.94Å; L99-Y121 HydrophobicContact CD2-CD2 4.22Å; L99-Y121 HydrophobicContact CD2-CG 4.15Å; L99-Y121 HydrophobicContact CG-CD2 4.43Å; I103-Y121 HydrophobicContact CD1-CD2 4.48Å; I103-Y121 HydrophobicContact CD1-CE2 4.36Å; I103-Y121 HydrophobicContact CG1-CE2 4.14Å; R106-Y121 PolarHBondContact NH1-OH 2.89Å; Y113-Y121 HydrophobicContact CE2-CD2 4.46Å; Y113-Y121 HydrophobicContact CE2-CE2 4.27Å; V117-Y121 HydrophobicContact CG1-CD2 3.85Å; V117-Y121 HydrophobicContact CG1-CE2 3.28Å; V117-Y121 WeakPolarHBondContact O-CD2 3.46Å; V117-Y121 PolarHBondContact O-N 3.28Å; A118-Y121 PolarHBondContact O-N 3.42Å; S119-Y121 PolarHBondContact O-N 2.87Å; Y121-R123 VanDerWaalsContact C-N 3.28Å; Y121-R123 PolarHBondContact O-N 3.27Å; Y121-Q124 PolarHBondContact O-N 3.09Å; Y121-Q124 VanDerWaalsContact O-N 3.12Å; Y121-I125 WeakPolarHBondContact O-CG1 3.31Å; Y121-I125 PolarHBondContact O-N 2.94Å; Y121-I125 VanDerWaalsContact O-N 3.15Å; Y121-L149 HydrophobicContact CE1-CD2 4.11Å; Y121-V158 HydrophobicContact CD1-CG2 3.47Å; Y121-V158 VanDerWaalsContact CD1-CG2 3.47Å; Y121-V158 HydrophobicContact CE1-CG2 4.11Å; Y121-V158 HydrophobicContact CG-CG2 4.13Å
122L97.7Very high95.5Very high0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-59.3-40.2179-179.863.8000111.5A118 S119 Q124 I125 L126 L229 L272 W295 I296A118-L122 WeakPolarHBondContact O-CB 3.32Å; A118-L122 PolarHBondContact O-N 2.88Å; S119-L122 PolarHBondContact O-N 3.13Å; L122-Q124 VanDerWaalsContact C-N 3.31Å; L122-Q124 PolarHBondContact O-N 2.79Å; L122-I125 WeakPolarHBondContact O-CB 3.39Å; L122-I125 PolarHBondContact O-N 2.91Å; L122-I125 VanDerWaalsContact O-N 3.15Å; L122-L126 HydrophobicContact CD1-CD1 4.41Å; L122-L126 HydrophobicContact CD1-CD2 4.4Å; L122-L126 HydrophobicContact CD1-CG 4.02Å; L122-L126 HydrophobicContact CD2-CD1 4.24Å; L122-L126 HydrophobicContact CG-CD1 3.87Å; L122-L126 HydrophobicContact CG-CG 3.98Å; L122-L126 WeakPolarHBondContact O-CB 3.34Å; L122-L126 VanDerWaalsContact O-CG 3.3Å; L122-L126 WeakPolarHBondContact O-CG 3.16Å; L122-L126 PolarHBondContact O-N 3Å; L122-L229 HydrophobicContact CD2-CB 3.92Å; L122-L229 HydrophobicContact CD2-CD1 3.67Å; L122-L229 HydrophobicContact CD2-CD2 3.61Å; L122-L229 HydrophobicContact CD2-CG 3.88Å; L122-L272 HydrophobicContact CD2-CD2 4.06Å; L122-W295 HydrophobicContact CD2-CZ3 4.28Å; L122-I296 HydrophobicContact CB-CD1 4.25Å; L122-I296 HydrophobicContact CD2-CD1 3.92Å; L122-I296 HydrophobicContact CG-CD1 4.16Å
123R97.2Very high96.1Very high63 Ų6318.5 Ų18.524%0.2389%0.089CC..Hα-helixtrans-55.5-45.6176.1-174.5-17059.879.613.4112S119 Y121 I125 L126 E127 L291 I296S119-R123 WeakPolarHBondContact O-CB 3.17Å; S119-R123 PolarHBondContact O-N 3.23Å; Y121-R123 VanDerWaalsContact C-N 3.28Å; Y121-R123 PolarHBondContact O-N 3.27Å; R123-I125 VanDerWaalsContact C-N 3.31Å; R123-I125 PolarHBondContact O-N 3.41Å; R123-L126 PolarHBondContact O-N 3.29Å; R123-E127 IonicContact CZ-OE1 2.72Å; R123-E127 IonicContact CZ-OE2 3.39Å; R123-E127 IonicContact NH1-OE1 3.36Å; R123-E127 PolarHBondContact NH1-OE1 3Å; R123-E127 IonicContact NH1-OE2 3.36Å; R123-E127 PolarHBondContact NH1-OE2 3.45Å; R123-E127 WeakPolarHBondContact O-CB 3.38Å; R123-E127 WeakPolarHBondContact O-CG 3.38Å; R123-E127 PolarHBondContact O-N 2.86Å; R123-L291 HydrophobicContact CG-CD2 4.25Å; R123-I296 HydrophobicContact CB-CG2 3.91Å; R123-I296 HydrophobicContact CG-CG2 3.81Å
124Q97.4Very high96.3Very high6 Ų624.6 Ų24.63%0.02812%0.117CC..Hα-helixtrans-64.7-37.8179.2-64.7-178.640.200111.8H73 H120 Y121 L122 E127 A128 P157 V158H73-Q124 VanDerWaalsContact CE1-CD 3.44Å; H73-Q124 PolarHBondContact CE1-OE1 3.17Å; H73-Q124 PolarHBondContact ND1-OE1 3.05Å; H73-Q124 VanDerWaalsContact ND1-OE1 3.16Å; H120-Q124 PolarHBondContact CD2-NE2 2.81Å; H120-Q124 VanDerWaalsContact CD2-NE2 3.3Å; H120-Q124 PolarHBondContact NE2-NE2 2.7Å; H120-Q124 WeakPolarHBondContact O-CG 3.42Å; H120-Q124 PolarHBondContact O-N 3.23Å; Y121-Q124 PolarHBondContact O-N 3.09Å; Y121-Q124 VanDerWaalsContact O-N 3.12Å; L122-Q124 VanDerWaalsContact C-N 3.31Å; L122-Q124 PolarHBondContact O-N 2.79Å; Q124-E127 PolarHBondContact O-N 3.32Å; Q124-A128 PolarHBondContact O-N 3.35Å; Q124-P157 VanDerWaalsContact OE1-CA 3.3Å; Q124-V158 HydrophobicContact CB-CB 4.31Å
125I98.3Very high96.5Very high2 Ų226.7 Ų26.71%0.0113%0.128CC..Hα-helixtrans-66.4-46.1175.8-61.4163.3000110.3L99 Y121 L122 R123 E127 A128 I129 L142 V147 V158 L228L99-I125 HydrophobicContact CD2-CD1 4.29Å; Y121-I125 WeakPolarHBondContact O-CG1 3.31Å; Y121-I125 PolarHBondContact O-N 2.94Å; Y121-I125 VanDerWaalsContact O-N 3.15Å; L122-I125 WeakPolarHBondContact O-CB 3.39Å; L122-I125 PolarHBondContact O-N 2.91Å; L122-I125 VanDerWaalsContact O-N 3.15Å; R123-I125 VanDerWaalsContact C-N 3.31Å; R123-I125 PolarHBondContact O-N 3.41Å; I125-E127 VanDerWaalsContact C-N 3.31Å; I125-E127 PolarHBondContact O-N 3.34Å; I125-A128 WeakPolarHBondContact O-CB 3.38Å; I125-A128 PolarHBondContact O-N 3.5Å; I125-I129 HydrophobicContact CG2-CG1 4.45Å; I125-I129 WeakPolarHBondContact O-CG1 3.07Å; I125-I129 PolarHBondContact O-N 3.26Å; I125-L142 HydrophobicContact CG2-CD1 4.33Å; I125-L142 HydrophobicContact CG2-CD2 4.21Å; I125-V147 HydrophobicContact CD1-CG1 3.62Å; I125-V147 HydrophobicContact CD1-CG2 4.31Å; I125-V147 HydrophobicContact CG1-CG1 3.96Å; I125-V158 HydrophobicContact CD1-CG1 4.38Å; I125-V158 HydrophobicContact CG1-CG1 3.84Å; I125-L228 HydrophobicContact CD1-CD2 3.71Å; I125-L228 HydrophobicContact CG2-CD2 4.32Å
126L98.5Very high96.5Very high0 Ų028.7 Ų28.70%014%0.139CC..Hα-helixtrans-61.6-38.5175.7-69173.5000111.6L122 R123 I129 H130 C225 I287 A290 L291 I296L122-L126 HydrophobicContact CD1-CD1 4.41Å; L122-L126 HydrophobicContact CD1-CD2 4.4Å; L122-L126 HydrophobicContact CD1-CG 4.02Å; L122-L126 HydrophobicContact CD2-CD1 4.24Å; L122-L126 HydrophobicContact CG-CD1 3.87Å; L122-L126 HydrophobicContact CG-CG 3.98Å; L122-L126 WeakPolarHBondContact O-CB 3.34Å; L122-L126 VanDerWaalsContact O-CG 3.3Å; L122-L126 WeakPolarHBondContact O-CG 3.16Å; L122-L126 PolarHBondContact O-N 3Å; R123-L126 PolarHBondContact O-N 3.29Å; L126-I129 PolarHBondContact O-N 2.84Å; L126-H130 WeakPolarHBondContact O-CB 3.45Å; L126-H130 PolarHBondContact O-N 3.24Å; L126-C225 HydrophobicContact CD2-CB 4.11Å; L126-I287 HydrophobicContact CB-CG2 4.26Å; L126-I287 HydrophobicContact CD2-CD1 3.74Å; L126-I287 HydrophobicContact CD2-CG2 4.1Å; L126-I287 VanDerWaalsContact O-CG2 3.26Å; L126-I287 WeakPolarHBondContact O-CG2 3.31Å; L126-A290 HydrophobicContact CD1-CB 3.95Å; L126-A290 HydrophobicContact CD2-CB 4.12Å; L126-L291 HydrophobicContact CB-CD2 3.53Å; L126-L291 HydrophobicContact CB-CG 3.91Å; L126-L291 HydrophobicContact CD1-CD2 4.32Å; L126-I296 HydrophobicContact CD1-CD1 4.25Å; L126-I296 HydrophobicContact CD1-CG1 4.25Å
127E98.4Very high96.7Very high54 Ų5427.5 Ų27.525%0.25213%0.129SC..Hα-helixtrans-63.2-42.7174.3-76.8166.9179.200111.7H73 R123 Q124 I125 H130 Y131 L291H73-E127 IonicContact CD2-OE2 3.1Å; H73-E127 IonicContact NE2-OE2 3.52Å; R123-E127 IonicContact CZ-OE1 2.72Å; R123-E127 IonicContact CZ-OE2 3.39Å; R123-E127 IonicContact NH1-OE1 3.36Å; R123-E127 PolarHBondContact NH1-OE1 3Å; R123-E127 IonicContact NH1-OE2 3.36Å; R123-E127 PolarHBondContact NH1-OE2 3.45Å; R123-E127 WeakPolarHBondContact O-CB 3.38Å; R123-E127 WeakPolarHBondContact O-CG 3.38Å; R123-E127 PolarHBondContact O-N 2.86Å; Q124-E127 PolarHBondContact O-N 3.32Å; I125-E127 VanDerWaalsContact C-N 3.31Å; I125-E127 PolarHBondContact O-N 3.34Å; E127-H130 PolarHBondContact O-N 2.6Å; E127-Y131 PolarHBondContact O-N 3.38Å; E127-L291 HydrophobicContact CG-CD1 4.49Å; E127-L291 HydrophobicContact CG-CD2 3.83Å
128A98.3Very high96.8Very high1 Ų126.2 Ų26.21%0.00812%0.121CC..Hα-helixtrans-62.8-47.9174.700000112.2H73 I74 Q124 I125 H130 Y131 C132 L160H73-A128 HydrophobicContact CB-CB 3.96Å; H73-A128 WeakPolarHBondContact O-CB 3.46Å; I74-A128 HydrophobicContact CD1-CB 4.45Å; I74-A128 HydrophobicContact CG1-CB 3.84Å; Q124-A128 PolarHBondContact O-N 3.35Å; I125-A128 WeakPolarHBondContact O-CB 3.38Å; I125-A128 PolarHBondContact O-N 3.5Å; A128-H130 VanDerWaalsContact C-N 3.35Å; A128-Y131 PolarHBondContact O-N 2.64Å; A128-C132 PolarHBondContact O-N 3.08Å; A128-C132 PolarHBondContact O-SG 3.47Å; A128-L160 HydrophobicContact CB-CB 4.11Å; A128-L160 HydrophobicContact CB-CD2 4.13Å
129I98.4Very high96.7Very high0 Ų026.2 Ų26.20%012%0.121CC..Hα-helixtrans-66.4-38.5178.6-63-66.5000111I125 L126 Y131 C132 H133 H139 L142 L160 D221 I287I125-I129 HydrophobicContact CG2-CG1 4.45Å; I125-I129 WeakPolarHBondContact O-CG1 3.07Å; I125-I129 PolarHBondContact O-N 3.26Å; L126-I129 PolarHBondContact O-N 2.84Å; I129-Y131 VanDerWaalsContact C-N 3.31Å; I129-Y131 PolarHBondContact O-N 2.81Å; I129-C132 WeakPolarHBondContact O-CB 3.48Å; I129-C132 PolarHBondContact O-N 2.99Å; I129-H133 WeakPolarHBondContact CG2-NE2 3.41Å; I129-H133 WeakPolarHBondContact O-CB 3.11Å; I129-H133 PolarHBondContact O-CD2 3.32Å; I129-H133 PolarHBondContact O-N 2.82Å; I129-H139 HydrophobicContact CD1-CB 4.02Å; I129-L142 HydrophobicContact CD1-CD2 4.35Å; I129-L142 HydrophobicContact CG1-CD2 4.4Å; I129-L160 HydrophobicContact CD1-CD2 3.44Å; I129-L160 VanDerWaalsContact CD1-CD2 3.44Å; I129-L160 HydrophobicContact CG1-CD2 4.15Å; I129-D221 HydrophobicContact CG2-CB 3.8Å; I129-I287 HydrophobicContact CB-CG2 4.42Å; I129-I287 HydrophobicContact CG2-CD1 3.9Å; I129-I287 HydrophobicContact CG2-CG1 3.77Å; I129-I287 HydrophobicContact CG2-CG2 4.33Å
130H98.3Very high96.4Very high43 Ų4326.7 Ų26.720%0.19912%0.122CC..Hα-helixtrans-59-45.6175.6-174.455.5000110.9L126 E127 A128 C132 H133 E134 I287 L291L126-H130 WeakPolarHBondContact O-CB 3.45Å; L126-H130 PolarHBondContact O-N 3.24Å; E127-H130 PolarHBondContact O-N 2.6Å; A128-H130 VanDerWaalsContact C-N 3.35Å; H130-C132 VanDerWaalsContact C-N 3.35Å; H130-C132 PolarHBondContact O-N 2.93Å; H130-H133 CarbonylContact O-C 3.42Å; H130-H133 WeakPolarHBondContact O-CA 3.47Å; H130-H133 WeakPolarHBondContact O-CB 3.28Å; H130-H133 PolarHBondContact O-N 2.73Å; H130-H133 VanDerWaalsContact O-N 3.09Å; H130-E134 IonicContact NE2-OE1 3.51Å; H130-E134 WeakPolarHBondContact O-CG 3.41Å; H130-E134 PolarHBondContact O-N 2.85Å; H130-I287 HydrophobicContact CB-CG2 3.81Å; H130-L291 HydrophobicContact CB-CD1 3.91Å
131Y98.4Very high96.1Very high51 Ų5123.5 Ų23.520%0.211%0.108CC..Hα-helixtrans-61.2-41175.4177.7-97.8000112.4L69 K70 H71 I74 E127 A128 I129 H133 E134 N135L69-Y131 HydrophobicContact CB-CE1 4.44Å; L69-Y131 HydrophobicContact CD2-CD1 3.95Å; L69-Y131 HydrophobicContact CD2-CE1 3.69Å; K70-Y131 PolarHBondContact N-OH 3.4Å; K70-Y131 PolarHBondContact O-OH 3.39Å; H71-Y131 HydrophobicContact CB-CD1 3.76Å; H71-Y131 HydrophobicContact CB-CE1 3.93Å; H71-Y131 HydrophobicContact CB-CG 4.13Å; H71-Y131 AromaticContact CD2-CG 3.83Å; I74-Y131 HydrophobicContact CD1-CD1 3.71Å; I74-Y131 HydrophobicContact CD1-CE1 4.31Å; E127-Y131 PolarHBondContact O-N 3.38Å; A128-Y131 PolarHBondContact O-N 2.64Å; I129-Y131 VanDerWaalsContact C-N 3.31Å; I129-Y131 PolarHBondContact O-N 2.81Å; Y131-H133 VanDerWaalsContact C-N 3.32Å; Y131-H133 PolarHBondContact O-N 3.42Å; Y131-E134 PolarHBondContact O-N 3.15Å; Y131-N135 PolarHBondContact O-N 3.42Å; Y131-N135 PolarHBondContact O-ND2 2.87Å
132C97.8Very high95.9Very high0 Ų023.1 Ų23.10%011%0.107CC..Hα-helixtrans-58-46.7171.3-64.80000111A128 I129 H130 E134 N135 N136 I137A128-C132 PolarHBondContact O-N 3.08Å; A128-C132 PolarHBondContact O-SG 3.47Å; I129-C132 WeakPolarHBondContact O-CB 3.48Å; I129-C132 PolarHBondContact O-N 2.99Å; H130-C132 VanDerWaalsContact C-N 3.35Å; H130-C132 PolarHBondContact O-N 2.93Å; C132-E134 PolarHBondContact O-N 2.84Å; C132-N135 CarbonylContact O-C 3.47Å; C132-N135 WeakPolarHBondContact O-CA 3.42Å; C132-N135 PolarHBondContact O-N 2.85Å; C132-N135 VanDerWaalsContact O-N 3.07Å; C132-N136 PolarHBondContact O-N 3.26Å; C132-I137 CarbonylContact C-O 3.54Å; C132-I137 VanDerWaalsContact C-O 3.24Å; C132-I137 HydrophobicContact CB-CB 4.26Å; C132-I137 HydrophobicContact CB-CG2 4.33Å; C132-I137 PolarHBondContact O-N 3.36Å
133H96.7Very high95.4Very high14 Ų1423.5 Ų23.57%0.06511%0.108CC..Hα-helixtrans-64.2-37.1-179.7-75.1-169.6000112.6I129 H130 Y131 N135 N136 I137 K218 D221I129-H133 WeakPolarHBondContact CG2-NE2 3.41Å; I129-H133 WeakPolarHBondContact O-CB 3.11Å; I129-H133 PolarHBondContact O-CD2 3.32Å; I129-H133 PolarHBondContact O-N 2.82Å; H130-H133 CarbonylContact O-C 3.42Å; H130-H133 WeakPolarHBondContact O-CA 3.47Å; H130-H133 WeakPolarHBondContact O-CB 3.28Å; H130-H133 PolarHBondContact O-N 2.73Å; H130-H133 VanDerWaalsContact O-N 3.09Å; Y131-H133 VanDerWaalsContact C-N 3.32Å; Y131-H133 PolarHBondContact O-N 3.42Å; H133-N135 PolarHBondContact O-N 3.04Å; H133-N136 PolarHBondContact O-N 3.49Å; H133-I137 PolarHBondContact CD2-O 2.8Å; H133-K218 HydrophobicContact CB-CD 3.91Å; H133-K218 HydrophobicContact CB-CG 4.48Å; H133-K218 PolarHBondContact CE1-O 3.32Å; H133-K218 VanDerWaalsContact O-CE 3.28Å; H133-K218 WeakPolarHBondContact O-CE 3.44Å; H133-K218 PolarHBondContact O-NZ 3.05Å; H133-D221 IonicContact CD2-OD2 3.26Å; H133-D221 IonicContact CE1-OD2 3.14Å; H133-D221 IonicContact NE2-OD2 2.68Å; H133-D221 PolarHBondContact NE2-OD2 3.1Å
134E95.6Very high95Very high128 Ų12820.7 Ų20.760%0.59810%0.098SC*.Hα-helixtrans-62.5-33.4172.9-73.2-169.2124.700111.9H130 Y131 C132 N136H130-E134 IonicContact NE2-OE1 3.51Å; H130-E134 WeakPolarHBondContact O-CG 3.41Å; H130-E134 PolarHBondContact O-N 2.85Å; Y131-E134 PolarHBondContact O-N 3.15Å; C132-E134 PolarHBondContact O-N 2.84Å; E134-N136 PolarHBondContact O-N 3Å
135N94.8Very high94.4Very high51 Ų5124.4 Ų24.427%0.27312%0.115SC..THydrogen-bonded Turntrans-86.813.1174.4-69.9-80.8000113.4Y131 C132 H133 I137Y131-N135 PolarHBondContact O-N 3.42Å; Y131-N135 PolarHBondContact O-ND2 2.87Å; C132-N135 CarbonylContact O-C 3.47Å; C132-N135 WeakPolarHBondContact O-CA 3.42Å; C132-N135 PolarHBondContact O-N 2.85Å; C132-N135 VanDerWaalsContact O-N 3.07Å; H133-N135 PolarHBondContact O-N 3.04Å; N135-I137 HydrophobicContact CB-CD1 4.1Å; N135-I137 PolarHBondContact O-N 2.85Å
136N94.8Very high94.1Very high43 Ų4324.4 Ų24.423%0.2312%0.116CC..THydrogen-bonded Turntrans54.133.2-177.3-61.8-50.5000113.6C132 H133 E134 H168 L169 L171 K218C132-N136 PolarHBondContact O-N 3.26Å; H133-N136 PolarHBondContact O-N 3.49Å; E134-N136 PolarHBondContact O-N 3Å; N136-H168 CarbonylContact O-C 3.51Å; N136-H168 WeakPolarHBondContact O-CA 3.4Å; N136-L169 HydrophobicContact CB-CB 4.39Å; N136-L169 PolarHBondContact O-N 2.71Å; N136-L171 VanDerWaalsContact ND2-CD2 3.32Å; N136-L171 WeakPolarHBondContact ND2-CD2 3.41Å; N136-K218 PolarHBondContact OD1-NZ 2.88Å
137I95.4Very high93.9Very high0 Ų024.4 Ų24.40%012%0.116CC..EExtended strand (participates in β ladder)trans-104.1136173.1-67.9159.6000108.4I65 L68 L69 C132 H133 N135 A166 I167 H168I65-I137 HydrophobicContact CG2-CD1 4.02Å; I65-I137 HydrophobicContact CG2-CG2 4Å; L68-I137 HydrophobicContact CD2-CD1 3.99Å; L69-I137 HydrophobicContact CD1-CD1 4.36Å; L69-I137 HydrophobicContact CD2-CD1 3.7Å; L69-I137 HydrophobicContact CG-CD1 4.02Å; C132-I137 CarbonylContact C-O 3.54Å; C132-I137 VanDerWaalsContact C-O 3.24Å; C132-I137 HydrophobicContact CB-CB 4.26Å; C132-I137 HydrophobicContact CB-CG2 4.33Å; C132-I137 PolarHBondContact O-N 3.36Å; H133-I137 PolarHBondContact CD2-O 2.8Å; N135-I137 HydrophobicContact CB-CD1 4.1Å; N135-I137 PolarHBondContact O-N 2.85Å; I137-A166 HydrophobicContact CG2-CB 4.2Å; I137-I167 WeakPolarHBondContact CA-O 3.25Å; I137-H168 VanDerWaalsContact CG1-CE1 3.5Å; I137-H168 WeakPolarHBondContact CG1-CE1 3.4Å
138I94Very high93.7Very high0 Ų023.2 Ų23.20%011%0.112CC..EExtended strand (participates in β ladder)trans-112.3140.8168.357.2170.6000109.7R140 A166 I167 L169 V176 Y216 K218 D221I138-R140 HydrophobicContact CB-CG 4.37Å; I138-R140 HydrophobicContact CD1-CG 3.69Å; I138-R140 HydrophobicContact CG1-CG 3.86Å; I138-A166 VanDerWaalsContact O-CA 3.23Å; I138-A166 WeakPolarHBondContact O-CA 3.29Å; I138-A166 WeakPolarHBondContact O-CB 3.35Å; I138-I167 HydrophobicContact CD1-CG2 3.63Å; I138-I167 HydrophobicContact CG1-CG2 3.42Å; I138-I167 VanDerWaalsContact CG1-CG2 3.42Å; I138-I167 PolarHBondContact N-O 3.36Å; I138-I167 VanDerWaalsContact N-O 3.08Å; I138-I167 PolarHBondContact O-N 3.27Å; I138-L169 HydrophobicContact CD1-CD2 3.94Å; I138-L169 HydrophobicContact CG1-CD2 4.33Å; I138-L169 HydrophobicContact CG1-CG 4.46Å; I138-L169 HydrophobicContact CG2-CD1 3.71Å; I138-L169 HydrophobicContact CG2-CD2 4.24Å; I138-L169 HydrophobicContact CG2-CG 3.96Å; I138-V176 HydrophobicContact CD1-CG2 3.68Å; I138-Y216 HydrophobicContact CD1-CD2 4.29Å; I138-Y216 HydrophobicContact CD1-CE2 3.98Å; I138-K218 HydrophobicContact CG2-CB 4.4Å; I138-K218 HydrophobicContact CG2-CG 3.9Å; I138-D221 WeakPolarHBondContact CA-OD2 3.19Å
139H93.8Very high93.5Very high0 Ų023.2 Ų23.20%011%0.112CC..  trans-80.9-45.2-174.2-170.7-75.3000112.3I129 D141 L142 G161 G162 F163 D221I129-H139 HydrophobicContact CD1-CB 4.02Å; H139-D141 VanDerWaalsContact CE1-C 3.46Å; H139-D141 PolarHBondContact CE1-O 3.38Å; H139-D141 VanDerWaalsContact CE1-O 3.25Å; H139-D141 PolarHBondContact ND1-N 2.88Å; H139-D141 PolarHBondContact O-N 3.3Å; H139-L142 PolarHBondContact ND1-N 3.49Å; H139-G161 PolarHBondContact NE2-O 2.91Å; H139-G162 PolarHBondContact CE1-O 2.92Å; H139-G162 PolarHBondContact NE2-O 3.22Å; H139-F163 AromaticContact CD2-CD1 3.87Å; H139-F163 AromaticContact CD2-CE1 3.66Å; H139-D221 WeakPolarHBondContact CB-OD1 3.33Å; H139-D221 PolarHBondContact N-OD1 2.69Å; H139-D221 VanDerWaalsContact N-OD1 3.15Å; H139-D221 PolarHBondContact N-OD2 3.49Å
140R91Very high93.1Very high15 Ų1524.3 Ų24.36%0.05712%0.121CC..SBendtrans64-15.9178.7-54-166.7-63.9174.4-1.4117.7I138 L165 Y216 V220 D221I138-R140 HydrophobicContact CB-CG 4.37Å; I138-R140 HydrophobicContact CD1-CG 3.69Å; I138-R140 HydrophobicContact CG1-CG 3.86Å; R140-L165 PolarHBondContact NE-O 3.18Å; R140-L165 PolarHBondContact NH2-O 3.27Å; R140-Y216 HydrophobicContact CG-CE2 4.46Å; R140-Y216 PolarHBondContact NH1-OH 3.17Å; R140-V220 HydrophobicContact CG-CG2 4.33Å; R140-D221 PolarHBondContact N-OD1 3.21Å
141D86.6Confident92.7Very high15 Ų1523.4 Ų23.48%0.0812%0.119CC..  trans-12942.5179.7-167.930.1000112.8H139 K143 C146 L165H139-D141 VanDerWaalsContact CE1-C 3.46Å; H139-D141 PolarHBondContact CE1-O 3.38Å; H139-D141 VanDerWaalsContact CE1-O 3.25Å; H139-D141 PolarHBondContact ND1-N 2.88Å; H139-D141 PolarHBondContact O-N 3.3Å; D141-K143 VanDerWaalsContact CG-NZ 3.25Å; D141-K143 PolarHBondContact O-N 3.19Å; D141-K143 IonicContact OD1-NZ 3.22Å; D141-K143 PolarHBondContact OD1-NZ 2.82Å; D141-K143 WeakPolarHBondContact OD2-CE 3.48Å; D141-K143 IonicContact OD2-NZ 3.39Å; D141-K143 PolarHBondContact OD2-NZ 3.29Å; D141-C146 PolarHBondContact O-SG 2.88Å; D141-L165 HydrophobicContact CB-CB 3.99Å; D141-L165 HydrophobicContact CB-CD1 3.69Å; D141-L165 HydrophobicContact CB-CG 4.37Å
142L91.7Very high92Very high0 Ų027.8 Ų27.80%014%0.139CC..  trans-75.8109-179.8-179.470.1000110I125 I129 H139 V147 L160 C225 L228I125-L142 HydrophobicContact CG2-CD1 4.33Å; I125-L142 HydrophobicContact CG2-CD2 4.21Å; I129-L142 HydrophobicContact CD1-CD2 4.35Å; I129-L142 HydrophobicContact CG1-CD2 4.4Å; H139-L142 PolarHBondContact ND1-N 3.49Å; L142-V147 HydrophobicContact CD1-CG2 4.04Å; L142-L160 HydrophobicContact CD1-CD1 3.37Å; L142-C225 HydrophobicContact CD2-CB 4.39Å; L142-C225 WeakPolarHBondContact CD2-SG 3.48Å; L142-L228 HydrophobicContact CG-CD2 4.48Å
143K87.4Confident91.2Very high7 Ų733.8 Ų33.83%0.0317%0.168CC..  trans-142.5168.6179.164.6-167.3172.2-152.70110.3D141 H145 C146 Y205D141-K143 VanDerWaalsContact CG-NZ 3.25Å; D141-K143 PolarHBondContact O-N 3.19Å; D141-K143 IonicContact OD1-NZ 3.22Å; D141-K143 PolarHBondContact OD1-NZ 2.82Å; D141-K143 WeakPolarHBondContact OD2-CE 3.48Å; D141-K143 IonicContact OD2-NZ 3.39Å; D141-K143 PolarHBondContact OD2-NZ 3.29Å; K143-H145 HydrophobicContact CG-CB 4.27Å; K143-H145 PolarHBondContact O-N 2.87Å; K143-H145 VanDerWaalsContact O-N 3.13Å; K143-C146 VanDerWaalsContact O-CB 3.31Å; K143-C146 WeakPolarHBondContact O-CB 3.18Å; K143-C146 PolarHBondContact O-N 2.97Å; K143-Y205 HydrophobicContact CB-CD1 4.25Å; K143-Y205 HydrophobicContact CB-CD2 4.06Å; K143-Y205 HydrophobicContact CB-CE1 4.21Å; K143-Y205 HydrophobicContact CB-CE2 4.01Å; K143-Y205 HydrophobicContact CB-CG 4.18Å
144P90.2Very high90.2Very high5 Ų536 Ų363%0.03218%0.179CC..G310 helixtrans-55.1-35.9-175.5-30.337.7000114.2A100 C146 V147 Y205 L228 L231 F317A100-P144 HydrophobicContact CB-CB 4.4Å; P144-C146 PolarHBondContact O-N 3.43Å; P144-V147 PolarHBondContact O-N 2.95Å; P144-Y205 VanDerWaalsContact CD-CZ 3.41Å; P144-Y205 WeakPolarHBondContact CD-OH 3.39Å; P144-Y205 HydrophobicContact CG-CE1 4.37Å; P144-Y205 WeakPolarHBondContact CG-OH 3.14Å; P144-L228 HydrophobicContact CG-CD1 3.98Å; P144-L231 HydrophobicContact CB-CD2 4.34Å; P144-L231 HydrophobicContact CG-CD2 3.3Å; P144-F317 HydrophobicContact CG-CE1 4.28Å; P144-F317 HydrophobicContact CG-CZ 4.17Å
145H85.1Confident89.5Confident84 Ų8434.6 Ų34.639%0.38918%0.184SC..G310 helixtrans-58.7-30.5176.5178.6-105.3000113.4K143 V147 Q186K143-H145 HydrophobicContact CG-CB 4.27Å; K143-H145 PolarHBondContact O-N 2.87Å; K143-H145 VanDerWaalsContact O-N 3.13Å; H145-V147 PolarHBondContact O-N 3.5Å; H145-Q186 PolarHBondContact CE1-OE1 3.35Å; H145-Q186 PolarHBondContact ND1-OE1 3.21Å
146C90.5Very high89Confident2 Ų232.3 Ų32.31%0.01417%0.172CC..G310 helixtrans-77.4-11.1179.6-60.90000112.4D141 K143 P144 L160 G161D141-C146 PolarHBondContact O-SG 2.88Å; K143-C146 VanDerWaalsContact O-CB 3.31Å; K143-C146 WeakPolarHBondContact O-CB 3.18Å; K143-C146 PolarHBondContact O-N 2.97Å; P144-C146 PolarHBondContact O-N 3.43Å; C146-L160 HydrophobicContact CB-CD1 4.03Å; C146-L160 CarbonylContact O-C 3.49Å; C146-L160 WeakPolarHBondContact O-CA 3.43Å; C146-G161 VanDerWaalsContact CB-O 3.27Å; C146-G161 WeakPolarHBondContact CB-O 3.5Å; C146-G161 PolarHBondContact O-N 3.43Å
147V95.7Very high89Confident0 Ų032.5 Ų32.50%018%0.176CC..EExtended strand (participates in β ladder)trans-115.5102.7-170.5-175.40000109.3D98 L99 I125 L142 P144 H145 V158 L160 L228D98-V147 WeakPolarHBondContact CA-O 3.37Å; L99-V147 HydrophobicContact CB-CB 4.37Å; L99-V147 HydrophobicContact CB-CG1 3.9Å; L99-V147 WeakPolarHBondContact CB-O 3.43Å; L99-V147 HydrophobicContact CD2-CG1 3.73Å; L99-V147 HydrophobicContact CG-CG1 4.45Å; L99-V147 PolarHBondContact N-O 3.02Å; I125-V147 HydrophobicContact CD1-CG1 3.62Å; I125-V147 HydrophobicContact CD1-CG2 4.31Å; I125-V147 HydrophobicContact CG1-CG1 3.96Å; L142-V147 HydrophobicContact CD1-CG2 4.04Å; P144-V147 PolarHBondContact O-N 2.95Å; H145-V147 PolarHBondContact O-N 3.5Å; V147-V158 HydrophobicContact CG1-CG1 3.26Å; V147-L160 HydrophobicContact CG2-CD1 4.27Å; V147-L228 HydrophobicContact CG2-CD2 3.96Å
148V93.8Very high89Confident29 Ų2932.6 Ų32.618%0.17618%0.177CC..EExtended strand (participates in β ladder)trans-120.9151.6-172.4-710000111.5V75 M94 D98 V158 K159V75-V148 HydrophobicContact CG2-CG2 3.99Å; M94-V148 HydrophobicContact CB-CG2 4.45Å; M94-V148 HydrophobicContact CE-CB 4.44Å; M94-V148 HydrophobicContact CE-CG2 3.7Å; M94-V148 HydrophobicContact CG-CG2 4.07Å; D98-V148 HydrophobicContact CB-CG1 4.49Å; V148-V158 CarbonylContact O-C 3.53Å; V148-V158 WeakPolarHBondContact O-CA 3.41Å; V148-K159 WeakPolarHBondContact CG2-O 3.36Å; V148-K159 PolarHBondContact N-O 3.03Å; V148-K159 PolarHBondContact O-N 3.38Å
149L93Very high89.2Confident0 Ų033.9 Ų33.90%018%0.182CC..EExtended strand (participates in β ladder)trans-90.9135175.4-73162000111.2G96 A97 L99 E102 Y121 S151 A156 V158G96-L149 WeakPolarHBondContact CA-O 3.41Å; G96-L149 PolarHBondContact N-O 2.72Å; G96-L149 VanDerWaalsContact N-O 3.12Å; A97-L149 PolarHBondContact O-N 2.92Å; A97-L149 VanDerWaalsContact O-N 3.16Å; L99-L149 HydrophobicContact CD1-CD1 4.02Å; L99-L149 HydrophobicContact CD1-CD2 4.43Å; L99-L149 HydrophobicContact CD1-CG 4.25Å; E102-L149 HydrophobicContact CB-CD1 3.62Å; E102-L149 HydrophobicContact CG-CD1 3.44Å; E102-L149 VanDerWaalsContact CG-CD1 3.44Å; Y121-L149 HydrophobicContact CE1-CD2 4.11Å; L149-S151 VanDerWaalsContact C-N 3.27Å; L149-S151 PolarHBondContact O-N 3.37Å; L149-A156 HydrophobicContact CB-CB 4.36Å; L149-A156 HydrophobicContact CD2-CB 4.29Å; L149-A156 WeakPolarHBondContact CD2-O 2.95Å; L149-V158 HydrophobicContact CD2-CG2 3.63Å; L149-V158 HydrophobicContact CG-CG2 4.48Å
150A91Very high89.4Confident24 Ų2434 Ų3420%0.19818%0.182CC..SBendtrans-60.7-36.1-177.300000113.4M94 K95 P157M94-A150 HydrophobicContact CE-CB 3.87Å; M94-A150 HydrophobicContact SD-CB 4.44Å; K95-A150 PolarHBondContact N-O 3.19Å; K95-A150 VanDerWaalsContact N-O 3.1Å; A150-P157 HydrophobicContact CB-CG 3.89Å; A150-P157 PolarHBondContact N-O 3.43Å
151S89.9Confident89.5Confident23 Ų2333.9 Ų33.916%0.16119%0.186CC..SBendtrans-141.7175.4178.580.90000111.9L149 E153 A156L149-S151 VanDerWaalsContact C-N 3.27Å; L149-S151 PolarHBondContact O-N 3.37Å; S151-E153 PolarHBondContact O-N 3.45Å; S151-E153 WeakPolarHBondContact OG-CB 3.35Å; S151-E153 WeakPolarHBondContact OG-CG 3.43Å; S151-E153 PolarHBondContact OG-N 2.93Å; S151-A156 VanDerWaalsContact O-CB 3.26Å; S151-A156 WeakPolarHBondContact O-CB 3.44Å; S151-A156 WeakPolarHBondContact OG-CB 3.49Å
152K84.1Confident89.5Confident143 Ų14334.3 Ų34.362%0.62220%0.195SC*.SBendtrans-81-2.3174.5-62.5178.5-178.2174.70112.5K95K95-K152 WeakPolarHBondContact O-CE 3.17Å; K95-K152 WeakPolarHBondContact O-CG 3.32Å
153E81.1Confident89.5Confident127 Ų12734.5 Ų34.559%0.59320%0.195SC*.SBendtrans-72.3147.4-179.8-62171.118000111R106 S151 S155 A156R106-E153 PolarHBondContact NH2-O 3.31Å; S151-E153 PolarHBondContact O-N 3.45Å; S151-E153 WeakPolarHBondContact OG-CB 3.35Å; S151-E153 WeakPolarHBondContact OG-CG 3.43Å; S151-E153 PolarHBondContact OG-N 2.93Å; E153-S155 PolarHBondContact O-N 3.45Å; E153-A156 WeakPolarHBondContact O-CB 3.27Å; E153-A156 PolarHBondContact O-N 2.99Å
154N74.8Confident89.4Confident59 Ų5934.7 Ų34.732%0.31620%0.199SC..THydrogen-bonded Turntrans-60.5-33.6-179.7-71.3-25.1000112.7R106 F111 A156R106-N154 PolarHBondContact NH1-O 2.7Å; R106-N154 VanDerWaalsContact NH1-O 3.11Å; F111-N154 HydrophobicContact CE2-CB 4.49Å; N154-A156 VanDerWaalsContact C-N 3.3Å; N154-A156 PolarHBondContact O-N 2.94Å
155S81.1Confident89Confident99 Ų9934.7 Ų34.769%0.69220%0.199SC*.THydrogen-bonded Turntrans-83.84.2176.553.80000114.4E153E153-S155 PolarHBondContact O-N 3.45Å
156A85.3Confident89.3Confident3 Ų330.7 Ų30.73%0.02518%0.18CC..PPolyproline II helixtrans-56130.5-177.700000111.1L149 S151 E153 N154L149-A156 HydrophobicContact CB-CB 4.36Å; L149-A156 HydrophobicContact CD2-CB 4.29Å; L149-A156 WeakPolarHBondContact CD2-O 2.95Å; S151-A156 VanDerWaalsContact O-CB 3.26Å; S151-A156 WeakPolarHBondContact O-CB 3.44Å; S151-A156 WeakPolarHBondContact OG-CB 3.49Å; E153-A156 WeakPolarHBondContact O-CB 3.27Å; E153-A156 PolarHBondContact O-N 2.99Å; N154-A156 VanDerWaalsContact C-N 3.3Å; N154-A156 PolarHBondContact O-N 2.94Å
157P93.8Very high89.3Confident48 Ų4832.2 Ų32.231%0.31219%0.188SC..PPolyproline II helixtrans-69.6149.7172.829.8-34.5000110.4Q124 A150Q124-P157 VanDerWaalsContact OE1-CA 3.3Å; A150-P157 HydrophobicContact CB-CG 3.89Å; A150-P157 PolarHBondContact N-O 3.43Å
158V95.8Very high89Confident2 Ų236.2 Ų36.21%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-75.8139.2165.7172.60000108.4H73 L99 Y121 Q124 I125 V147 V148 L149H73-V158 PolarHBondContact ND1-O 3.33Å; L99-V158 HydrophobicContact CD1-CG2 4.18Å; L99-V158 HydrophobicContact CD2-CG2 4.4Å; Y121-V158 HydrophobicContact CD1-CG2 3.47Å; Y121-V158 VanDerWaalsContact CD1-CG2 3.47Å; Y121-V158 HydrophobicContact CE1-CG2 4.11Å; Y121-V158 HydrophobicContact CG-CG2 4.13Å; Q124-V158 HydrophobicContact CB-CB 4.31Å; I125-V158 HydrophobicContact CD1-CG1 4.38Å; I125-V158 HydrophobicContact CG1-CG1 3.84Å; V147-V158 HydrophobicContact CG1-CG1 3.26Å; V148-V158 CarbonylContact O-C 3.53Å; V148-V158 WeakPolarHBondContact O-CA 3.41Å; L149-V158 HydrophobicContact CD2-CG2 3.63Å; L149-V158 HydrophobicContact CG-CG2 4.48Å
159K97.5Very high88.7Confident26 Ų2635.2 Ų35.211%0.11320%0.2CC..EExtended strand (participates in β ladder)trans-127.3141.3167-56.3-166.6170.9-163.30110.9P72 H73 V75 E92 M94 V148P72-K159 VanDerWaalsContact O-CE 3.22Å; P72-K159 WeakPolarHBondContact O-CE 3.24Å; H73-K159 CarbonylContact O-C 3.46Å; H73-K159 WeakPolarHBondContact O-CA 3.47Å; V75-K159 HydrophobicContact CG2-CB 3.74Å; E92-K159 WeakPolarHBondContact OE1-CD 3.41Å; E92-K159 IonicContact OE1-NZ 3.61Å; E92-K159 PolarHBondContact OE1-NZ 2.96Å; E92-K159 IonicContact OE2-NZ 2.62Å; E92-K159 PolarHBondContact OE2-NZ 2.93Å; M94-K159 HydrophobicContact CE-CB 3.63Å; M94-K159 HydrophobicContact CE-CD 3.71Å; M94-K159 HydrophobicContact CE-CG 3.71Å; M94-K159 HydrophobicContact SD-CD 4Å; V148-K159 WeakPolarHBondContact CG2-O 3.36Å; V148-K159 PolarHBondContact N-O 3.03Å; V148-K159 PolarHBondContact O-N 3.38Å
160L97.4Very high88.1Confident2 Ų239.3 Ų39.31%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-90.4127.6177.2-17965000110.2H73 I74 V75 A128 I129 L142 C146 V147 F163H73-L160 PolarHBondContact O-N 3.2Å; I74-L160 CarbonylContact C-O 3.58Å; I74-L160 WeakPolarHBondContact CA-O 3.34Å; V75-L160 PolarHBondContact N-O 2.83Å; A128-L160 HydrophobicContact CB-CB 4.11Å; A128-L160 HydrophobicContact CB-CD2 4.13Å; I129-L160 HydrophobicContact CD1-CD2 3.44Å; I129-L160 VanDerWaalsContact CD1-CD2 3.44Å; I129-L160 HydrophobicContact CG1-CD2 4.15Å; L142-L160 HydrophobicContact CD1-CD1 3.37Å; C146-L160 HydrophobicContact CB-CD1 4.03Å; C146-L160 CarbonylContact O-C 3.49Å; C146-L160 WeakPolarHBondContact O-CA 3.43Å; V147-L160 HydrophobicContact CG2-CD1 4.27Å; L160-F163 HydrophobicContact CD2-CZ 4.13Å; L160-F163 HydrophobicContact CG-CZ 4.2Å
161G93.5Very high87.4Confident13 Ų1344 Ų4413%0.13424%0.243CC..  trans-123.2-16616700000110.8H139 C146H139-G161 PolarHBondContact NE2-O 2.91Å; C146-G161 VanDerWaalsContact CB-O 3.27Å; C146-G161 WeakPolarHBondContact CB-O 3.5Å; C146-G161 PolarHBondContact O-N 3.43Å
162G88.1Confident86.8Confident25 Ų2550 Ų5026%0.25827%0.273SS..  trans86.239.2172.800000115.6H139 G164H139-G162 PolarHBondContact CE1-O 2.92Å; H139-G162 PolarHBondContact NE2-O 3.22Å; G162-G164 VanDerWaalsContact C-N 3.29Å; G162-G164 PolarHBondContact O-N 3.34Å
163F91.4Very high86.5Confident4 Ų446.5 Ų46.52%0.01826%0.264CS..G310 helixtrans-83.514.8-176.4-66.6-89.5000115.4I65 L69 I74 H139 L160 L165 A166I65-F163 HydrophobicContact CG2-CB 4.39Å; I65-F163 HydrophobicContact CG2-CD1 4.06Å; I65-F163 HydrophobicContact CG2-CG 4.46Å; L69-F163 HydrophobicContact CD1-CD1 3.72Å; L69-F163 HydrophobicContact CD1-CE1 3.29Å; L69-F163 HydrophobicContact CD1-CE2 4.27Å; L69-F163 HydrophobicContact CD1-CG 4.37Å; L69-F163 HydrophobicContact CD1-CZ 3.61Å; I74-F163 HydrophobicContact CD1-CZ 4.39Å; I74-F163 HydrophobicContact CG2-CE2 3.74Å; I74-F163 HydrophobicContact CG2-CZ 3.84Å; H139-F163 AromaticContact CD2-CD1 3.87Å; H139-F163 AromaticContact CD2-CE1 3.66Å; L160-F163 HydrophobicContact CD2-CZ 4.13Å; L160-F163 HydrophobicContact CG-CZ 4.2Å; F163-L165 PolarHBondContact O-N 2.7Å; F163-A166 HydrophobicContact CB-CB 3.9Å; F163-A166 HydrophobicContact CD1-CB 3.77Å; F163-A166 HydrophobicContact CG-CB 4.34Å; F163-A166 VanDerWaalsContact O-CB 3.29Å; F163-A166 WeakPolarHBondContact O-CB 3.44Å; F163-A166 PolarHBondContact O-N 2.67Å
164G84Confident86.4Confident10 Ų1044.5 Ų44.510%0.10326%0.257CS..G310 helixtrans-57.2-34.9-179.700000113.2R61 G162R61-G164 PolarHBondContact NH1-O 2.78Å; R61-G164 VanDerWaalsContact NH1-O 3.07Å; G162-G164 VanDerWaalsContact C-N 3.29Å; G162-G164 PolarHBondContact O-N 3.34Å
165L82.7Confident86.6Confident6 Ų646.3 Ų46.33%0.03126%0.264CS..G310 helixtrans-93.7-0.6176.3-79.1176.7000114.4R140 D141 F163 I182 T183 V184R140-L165 PolarHBondContact NE-O 3.18Å; R140-L165 PolarHBondContact NH2-O 3.27Å; D141-L165 HydrophobicContact CB-CB 3.99Å; D141-L165 HydrophobicContact CB-CD1 3.69Å; D141-L165 HydrophobicContact CB-CG 4.37Å; F163-L165 PolarHBondContact O-N 2.7Å; L165-I182 HydrophobicContact CD1-CG2 4.38Å; L165-I182 HydrophobicContact CD2-CG2 3.88Å; L165-T183 WeakPolarHBondContact CD2-O 3.24Å; L165-V184 HydrophobicContact CD1-CB 4.29Å; L165-V184 HydrophobicContact CD1-CG1 3.87Å; L165-V184 HydrophobicContact CD1-CG2 4.18Å
166A90.9Very high86.5Confident0 Ų042.1 Ų42.10%023%0.234CC..  trans-67.6149.1-178.900000111.5R61 I65 I137 I138 F163R61-A166 PolarHBondContact NH1-O 3.08Å; I65-A166 VanDerWaalsContact CD1-C 3.44Å; I65-A166 HydrophobicContact CD1-CB 3.83Å; I65-A166 VanDerWaalsContact CD1-O 3.28Å; I65-A166 WeakPolarHBondContact CD1-O 3.46Å; I65-A166 HydrophobicContact CG2-CB 4.08Å; I137-A166 HydrophobicContact CG2-CB 4.2Å; I138-A166 VanDerWaalsContact O-CA 3.23Å; I138-A166 WeakPolarHBondContact O-CA 3.29Å; I138-A166 WeakPolarHBondContact O-CB 3.35Å; F163-A166 HydrophobicContact CB-CB 3.9Å; F163-A166 HydrophobicContact CD1-CB 3.77Å; F163-A166 HydrophobicContact CG-CB 4.34Å; F163-A166 VanDerWaalsContact O-CB 3.29Å; F163-A166 WeakPolarHBondContact O-CB 3.44Å; F163-A166 PolarHBondContact O-N 2.67Å
167I90.9Very high85.8Confident34 Ų3447.4 Ų47.417%0.17426%0.262CS..EExtended strand (participates in β ladder)trans-142.6146.6179.4-168168.8000111I137 I138 V176I137-I167 WeakPolarHBondContact CA-O 3.25Å; I138-I167 HydrophobicContact CD1-CG2 3.63Å; I138-I167 HydrophobicContact CG1-CG2 3.42Å; I138-I167 VanDerWaalsContact CG1-CG2 3.42Å; I138-I167 PolarHBondContact N-O 3.36Å; I138-I167 VanDerWaalsContact N-O 3.08Å; I138-I167 PolarHBondContact O-N 3.27Å; I167-V176 HydrophobicContact CG2-CG2 3.91Å
168H89.9Confident84.2Confident83 Ų8345.6 Ų45.638%0.38425%0.252SS..EExtended strand (participates in β ladder)trans-76.1123.2166.2-79.2-81.6000109.8N136 I137N136-H168 CarbonylContact O-C 3.51Å; N136-H168 WeakPolarHBondContact O-CA 3.4Å; I137-H168 VanDerWaalsContact CG1-CE1 3.5Å; I137-H168 WeakPolarHBondContact CG1-CE1 3.4Å
169L87.3Confident82.4Confident9 Ų952.6 Ų52.65%0.04729%0.289CS..PPolyproline II helixtrans-64.6138.8169.8-69.9173.2000109.9N136 I138 L171 V176 K218N136-L169 HydrophobicContact CB-CB 4.39Å; N136-L169 PolarHBondContact O-N 2.71Å; I138-L169 HydrophobicContact CD1-CD2 3.94Å; I138-L169 HydrophobicContact CG1-CD2 4.33Å; I138-L169 HydrophobicContact CG1-CG 4.46Å; I138-L169 HydrophobicContact CG2-CD1 3.71Å; I138-L169 HydrophobicContact CG2-CD2 4.24Å; I138-L169 HydrophobicContact CG2-CG 3.96Å; L169-L171 PolarHBondContact O-N 2.76Å; L169-V176 HydrophobicContact CD2-CG2 3.74Å; L169-K218 HydrophobicContact CD1-CD 4.24Å; L169-K218 HydrophobicContact CD1-CG 3.62Å
170N80.4Confident80.3Confident85 Ų8553.1 Ų53.146%0.45530%0.297SS..PPolyproline II helixtrans-67.7126.8169.7-173.6-10.8000109D172 T173 N174N170-D172 PolarHBondContact O-N 2.99Å; N170-D172 PolarHBondContact OD1-N 3.29Å; N170-D172 VanDerWaalsContact OD1-N 3.17Å; N170-T173 PolarHBondContact O-N 2.83Å; N170-N174 WeakPolarHBondContact O-CA 3.36Å; N170-N174 PolarHBondContact O-N 3.1Å
171L75.2Confident78Confident123 Ų12357.6 Ų57.664%0.64433%0.326SS*.THydrogen-bonded Turntrans-61.7-27.5-178.2-67.5171.3000112.7N136 L169N136-L171 VanDerWaalsContact ND2-CD2 3.32Å; N136-L171 WeakPolarHBondContact ND2-CD2 3.41Å; L169-L171 PolarHBondContact O-N 2.76Å
172D78.3Confident75.9Confident148 Ų14858.2 Ų58.279%0.79133%0.326SS*.THydrogen-bonded Turntrans-76.7-37.8-177.3-64.3-29.8000112.3N170N170-D172 PolarHBondContact O-N 2.99Å; N170-D172 PolarHBondContact OD1-N 3.29Å; N170-D172 VanDerWaalsContact OD1-N 3.17Å
173T76.8Confident73.8Confident70 Ų7057.7 Ų57.743%0.42932%0.317SS..THydrogen-bonded Turntrans-103.4-23.5-175.960.20000113.3N170 Q175N170-T173 PolarHBondContact O-N 2.83Å; T173-Q175 WeakPolarHBondContact O-CG 3.35Å; T173-Q175 PolarHBondContact O-N 3.14Å; T173-Q175 PolarHBondContact OG1-N 3.32Å; T173-Q175 PolarHBondContact OG1-O 2.92Å
174N79.4Confident71.4Confident85 Ų8558 Ų5846%0.45532%0.32SS..SBendtrans49.721.2-166.2-76.7-35.7000114.1N170N170-N174 WeakPolarHBondContact O-CA 3.36Å; N170-N174 PolarHBondContact O-N 3.1Å
175Q79.8Confident69.2Low98 Ų9858.4 Ų58.446%0.45832%0.319SS..SBendtrans-137.2149.9-174.6-71.1-178.5-6.100110.5T173 Y216T173-Q175 WeakPolarHBondContact O-CG 3.35Å; T173-Q175 PolarHBondContact O-N 3.14Å; T173-Q175 PolarHBondContact OG1-N 3.32Å; T173-Q175 PolarHBondContact OG1-O 2.92Å; Q175-Y216 CarbonylContact C-O 3.55Å; Q175-Y216 VanDerWaalsContact CA-O 3.32Å; Q175-Y216 WeakPolarHBondContact CA-O 3.44Å
176V77.4Confident66.9Low11 Ų1160.2 Ų60.27%0.06733%0.328CS..BIsolated β-bridgetrans-93.7135.6164.4-174.50000107.6I138 I167 L169 G178 P215 Y216I138-V176 HydrophobicContact CD1-CG2 3.68Å; I167-V176 HydrophobicContact CG2-CG2 3.91Å; L169-V176 HydrophobicContact CD2-CG2 3.74Å; V176-G178 PolarHBondContact O-N 3.35Å; V176-P215 WeakPolarHBondContact O-CA 3.48Å; V176-Y216 HydrophobicContact CB-CD2 4.23Å; V176-Y216 HydrophobicContact CB-CE1 4.49Å; V176-Y216 HydrophobicContact CB-CE2 3.77Å; V176-Y216 HydrophobicContact CG1-CE2 4.2Å; V176-Y216 HydrophobicContact CG2-CE2 4.01Å; V176-Y216 PolarHBondContact N-O 3.45Å; V176-Y216 PolarHBondContact O-N 3.49Å; V176-Y216 VanDerWaalsContact O-N 3.16Å
177N72.4Confident64.4Low114 Ų11463.7 Ų63.761%0.6134%0.344SS*.  trans-61.3135.6173.6-70.3-10.8000109.7D179 S180N177-D179 PolarHBondContact O-N 3.41Å; N177-S180 VanDerWaalsContact O-CB 3.25Å; N177-S180 WeakPolarHBondContact O-CB 3.42Å; N177-S180 PolarHBondContact O-N 2.87Å
178G59.7Low61.8Low10 Ų1064 Ų6410%0.10335%0.346CS..THydrogen-bonded Turntrans-59.9-27179.500000114V176 S180 H213 E214V176-G178 PolarHBondContact O-N 3.35Å; G178-S180 VanDerWaalsContact C-N 3.29Å; G178-S180 PolarHBondContact O-N 3.5Å; G178-H213 WeakPolarHBondContact CA-O 3.38Å; G178-E214 WeakPolarHBondContact CA-O 3.35Å
179D56.5Low59.3Low148 Ų14863.3 Ų63.379%0.79134%0.342SS*.THydrogen-bonded Turntrans-81.1-2.1175.7-61.4-31.1000113.9N177 P181N177-D179 PolarHBondContact O-N 3.41Å; D179-P181 VanDerWaalsContact O-CD 3.28Å; D179-P181 WeakPolarHBondContact O-CD 3.03Å; D179-P181 VanDerWaalsContact O-N 3.14Å
180S53.6Low56.8Low38 Ų3863.8 Ų63.827%0.26635%0.345SS..SBendtrans-62.8118.9176.2-1750000108.4N177 G178 I182N177-S180 VanDerWaalsContact O-CB 3.25Å; N177-S180 WeakPolarHBondContact O-CB 3.42Å; N177-S180 PolarHBondContact O-N 2.87Å; G178-S180 VanDerWaalsContact C-N 3.29Å; G178-S180 PolarHBondContact O-N 3.5Å; S180-I182 PolarHBondContact O-N 2.95Å; S180-I182 VanDerWaalsContact O-N 3.12Å
181P49.5Very low54.5Low96 Ų9660.3 Ų60.362%0.62333%0.327SS*.  trans-57.2124.5178.621.2-30.3000108.9D179 T183D179-P181 VanDerWaalsContact O-CD 3.28Å; D179-P181 WeakPolarHBondContact O-CD 3.03Å; D179-P181 VanDerWaalsContact O-N 3.14Å; P181-T183 HydrophobicContact CB-CG2 4.1Å; P181-T183 HydrophobicContact CG-CG2 4.49Å; P181-T183 PolarHBondContact O-N 2.97Å
182I49.7Very low52.5Low26 Ų2657.9 Ų57.913%0.13331%0.314CS..  trans-83.196.6172.7-54173.4000105.9L165 S180 V184 I200 M210L165-I182 HydrophobicContact CD1-CG2 4.38Å; L165-I182 HydrophobicContact CD2-CG2 3.88Å; S180-I182 PolarHBondContact O-N 2.95Å; S180-I182 VanDerWaalsContact O-N 3.12Å; I182-V184 HydrophobicContact CG2-CG2 4.04Å; I182-V184 PolarHBondContact O-N 2.87Å; I182-I200 HydrophobicContact CB-CD1 4.3Å; I182-I200 HydrophobicContact CB-CG2 3.79Å; I182-I200 HydrophobicContact CD1-CG2 4.38Å; I182-I200 HydrophobicContact CG2-CG2 3.51Å; I182-M210 HydrophobicContact CD1-CE 3.76Å
183T43.1Very low50.3Low13 Ų1356.8 Ų56.88%0.0830%0.299CS..  trans-91.398.7-175.958.40000109.1G53 L165 P181G53-T183 WeakPolarHBondContact O-CG2 3.41Å; L165-T183 WeakPolarHBondContact CD2-O 3.24Å; P181-T183 HydrophobicContact CB-CG2 4.1Å; P181-T183 HydrophobicContact CG-CG2 4.49Å; P181-T183 PolarHBondContact O-N 2.97Å
184V42.5Very low48.2Very low11 Ų1160 Ų607%0.06732%0.324CS..  trans-89.3133.7-164.1-168.70000113.4L165 I182 Q186 I200L165-V184 HydrophobicContact CD1-CB 4.29Å; L165-V184 HydrophobicContact CD1-CG1 3.87Å; L165-V184 HydrophobicContact CD1-CG2 4.18Å; I182-V184 HydrophobicContact CG2-CG2 4.04Å; I182-V184 PolarHBondContact O-N 2.87Å; V184-Q186 WeakPolarHBondContact CG1-O 3.32Å; V184-I200 HydrophobicContact CG2-CB 3.88Å; V184-I200 HydrophobicContact CG2-CG1 4.37Å; V184-I200 HydrophobicContact CG2-CG2 3.22Å
185D37.7Very low46Very low18 Ų1861.3 Ų61.310%0.09633%0.331CS..SBendtrans-91-7.3178-10327.7000115.7K41 F48K41-D185 IonicContact NZ-OD2 3.56Å; K41-D185 PolarHBondContact NZ-OD2 3.46Å; F48-D185 WeakPolarHBondContact CE2-OD1 3.49Å; F48-D185 WeakPolarHBondContact CZ-OD1 3.21Å
186Q34.9Very low43.7Very low44 Ų4462 Ų6221%0.20633%0.334CS..SBendtrans-148.8121.2-172.7-67.6-177-3.300112H145 V184H145-Q186 PolarHBondContact CE1-OE1 3.35Å; H145-Q186 PolarHBondContact ND1-OE1 3.21Å; V184-Q186 WeakPolarHBondContact CG1-O 3.32Å
187E38.5Very low41.5Very low74 Ų7465.9 Ų65.935%0.34636%0.361SS..SBendtrans86.4110.2-170.8-57.5178.4-177.800111.7T202 L328E187-T202 PolarHBondContact OE1-OG1 3.35Å; E187-T202 PolarHBondContact OE2-OG1 2.8Å; E187-L328 HydrophobicContact CG-CD1 4.42Å
188I34.5Very low39.7Very low40 Ų4061.2 Ų61.221%0.20534%0.34CS..  trans-34.7136.9-162.3-62.1168.4000114.5V190 L328 V331 V363I188-V190 HydrophobicContact CB-CG2 3.58Å; I188-V190 HydrophobicContact CG2-CB 4.34Å; I188-V190 HydrophobicContact CG2-CG2 3.2Å; I188-V190 PolarHBondContact O-N 2.61Å; I188-L328 HydrophobicContact CD1-CD2 3.12Å; I188-L328 HydrophobicContact CD1-CG 4.43Å; I188-L328 HydrophobicContact CG1-CD2 3.62Å; I188-V331 HydrophobicContact CD1-CG2 4.03Å; I188-V363 HydrophobicContact CD1-CG1 3.93Å
189F37.3Very low38.8Very low69 Ų6963 Ų6330%0.30334%0.344SS..  trans-60.275.2159.1-142.9-86.3000109.5P52 S191P52-F189 HydrophobicContact CB-CE1 4.43Å; P52-F189 WeakPolarHBondContact O-CE2 3.38Å; P52-F189 WeakPolarHBondContact O-CZ 3.24Å; F189-S191 VanDerWaalsContact C-N 3.25Å; F189-S191 PolarHBondContact O-N 2.87Å
190V35.9Very low37.9Very low19 Ų1957.8 Ų57.812%0.11532%0.316CS..  trans-94.247.5175.7-172.80000111.1I188 R199 S360I188-V190 HydrophobicContact CB-CG2 3.58Å; I188-V190 HydrophobicContact CG2-CB 4.34Å; I188-V190 HydrophobicContact CG2-CG2 3.2Å; I188-V190 PolarHBondContact O-N 2.61Å; V190-R199 HydrophobicContact CB-CB 4.39Å; V190-S360 VanDerWaalsContact CA-OG 3.3Å; V190-S360 WeakPolarHBondContact CA-OG 3.43Å; V190-S360 WeakPolarHBondContact CB-OG 3.27Å; V190-S360 WeakPolarHBondContact CG1-O 3.38Å; V190-S360 WeakPolarHBondContact CG1-OG 3.37Å; V190-S360 WeakPolarHBondContact CG2-OG 3.36Å
191S32.9Very low37.6Very low12 Ų1256.1 Ų56.18%0.08430%0.304CS..  trans-145.1105.8148.8-173.70000107.3F189 R193 Q196F189-S191 VanDerWaalsContact C-N 3.25Å; F189-S191 PolarHBondContact O-N 2.87Å; S191-R193 PolarHBondContact OG-N 2.93Å; S191-R193 PolarHBondContact OG-O 3.47Å; S191-Q196 WeakPolarHBondContact CB-O 3.16Å; S191-Q196 VanDerWaalsContact OG-CB 3.25Å; S191-Q196 WeakPolarHBondContact OG-CB 3.38Å; S191-Q196 PolarHBondContact OG-O 3.1Å
192L33.3Very low38.4Very low71 Ų7152.4 Ų52.437%0.37228%0.279SS..  trans-82.71166.5-75.7163000111.3D356 E357L192-D356 HydrophobicContact CD1-CB 3.73Å; L192-E357 HydrophobicContact CB-CG 3.74Å; L192-E357 HydrophobicContact CD1-CG 4.24Å
193R31.3Very low39.8Very low126 Ų12652.2 Ų52.248%0.47528%0.28SS..  trans-84.7131.6171.7-60.9-166.9161.4-158.1-2.5111.9S191 D195 Q196S191-R193 PolarHBondContact OG-N 2.93Å; S191-R193 PolarHBondContact OG-O 3.47Å; R193-D195 WeakPolarHBondContact CB-OD1 3.48Å; R193-D195 VanDerWaalsContact CD-OD1 3.24Å; R193-D195 WeakPolarHBondContact CD-OD1 3.23Å; R193-D195 IonicContact NH1-OD2 3.98Å; R193-D195 PolarHBondContact O-N 2.84Å; R193-Q196 HydrophobicContact CB-CB 4.26Å; R193-Q196 PolarHBondContact O-N 2.82Å
194S33.6Very low42Very low136 Ų13652 Ų5295%0.95128%0.278SS*.THydrogen-bonded Turntrans-62.2-19.3169.555.80000113.9
195D31.7Very low44.3Very low114 Ų11452.1 Ų52.161%0.6128%0.278SS*.THydrogen-bonded Turntrans-97.3-10.2-178.673.2-16.8000114.2R193R193-D195 WeakPolarHBondContact CB-OD1 3.48Å; R193-D195 VanDerWaalsContact CD-OD1 3.24Å; R193-D195 WeakPolarHBondContact CD-OD1 3.23Å; R193-D195 IonicContact NH1-OD2 3.98Å; R193-D195 PolarHBondContact O-N 2.84Å
196Q31.8Very low46.8Very low111 Ų11152.5 Ų52.552%0.51928%0.279SS..SBendtrans-116.4118.5175.5-69-178.325.700109S191 R193 G198S191-Q196 WeakPolarHBondContact CB-O 3.16Å; S191-Q196 VanDerWaalsContact OG-CB 3.25Å; S191-Q196 WeakPolarHBondContact OG-CB 3.38Å; S191-Q196 PolarHBondContact OG-O 3.1Å; R193-Q196 HydrophobicContact CB-CB 4.26Å; R193-Q196 PolarHBondContact O-N 2.82Å; Q196-G198 PolarHBondContact O-N 2.81Å; Q196-G198 VanDerWaalsContact O-N 3.08Å
197C31.6Very low49.6Very low94 Ų9450.4 Ų50.464%0.63527%0.269SS*.  trans-53.6118.6173.3-163.30000108.4I200C197-I200 VanDerWaalsContact SG-CD1 3.51Å
198G35Very low52.3Low16 Ų1646.9 Ų46.917%0.16525%0.253CS..  trans-42.1151.517500000112.7Q196 I200Q196-G198 PolarHBondContact O-N 2.81Å; Q196-G198 VanDerWaalsContact O-N 3.08Å; G198-I200 WeakPolarHBondContact O-CG1 3.49Å; G198-I200 PolarHBondContact O-N 3.22Å
199R40.3Very low55.1Low48 Ų4845 Ų4518%0.18124%0.243CC..  trans-58.891.5167.4-170.8178.9-174.1128.54.9108.1V190 G201 S364 D368V190-R199 HydrophobicContact CB-CB 4.39Å; R199-G201 PolarHBondContact O-N 3.49Å; R199-G201 VanDerWaalsContact O-N 3.1Å; R199-S364 PolarHBondContact NH1-OG 2.77Å; R199-S364 VanDerWaalsContact NH1-OG 3.13Å; R199-D368 IonicContact CZ-OD1 3.65Å; R199-D368 IonicContact NH1-OD1 3.64Å; R199-D368 PolarHBondContact NH1-OD1 3.2Å; R199-D368 IonicContact NH2-OD1 2.79Å; R199-D368 PolarHBondContact NH2-OD1 2.71Å
200I38.5Very low57.5Low38 Ų3842.1 Ų42.120%0.19523%0.231CC..  trans-77.296.5-179.9-64168.2000106.5I182 V184 C197 G198 M206I182-I200 HydrophobicContact CB-CD1 4.3Å; I182-I200 HydrophobicContact CB-CG2 3.79Å; I182-I200 HydrophobicContact CD1-CG2 4.38Å; I182-I200 HydrophobicContact CG2-CG2 3.51Å; V184-I200 HydrophobicContact CG2-CB 3.88Å; V184-I200 HydrophobicContact CG2-CG1 4.37Å; V184-I200 HydrophobicContact CG2-CG2 3.22Å; C197-I200 VanDerWaalsContact SG-CD1 3.51Å; G198-I200 WeakPolarHBondContact O-CG1 3.49Å; G198-I200 PolarHBondContact O-N 3.22Å; I200-M206 HydrophobicContact CB-CE 3.78Å; I200-M206 HydrophobicContact CG2-CE 3.21Å; I200-M206 WeakPolarHBondContact O-CE 3.48Å
201G47.4Very low60Low2 Ų242.5 Ų42.52%0.02123%0.232CC..SBendtrans58.7-149.9169.400000114.9R199 P203R199-G201 PolarHBondContact O-N 3.49Å; R199-G201 VanDerWaalsContact O-N 3.1Å; G201-P203 WeakPolarHBondContact O-CD 3.33Å
202T65.7Low62.6Low18 Ų1846.6 Ų46.611%0.1125%0.245CC..  trans-96.193.3174.6-38.70000109.3E187 H204 Y205E187-T202 PolarHBondContact OE1-OG1 3.35Å; E187-T202 PolarHBondContact OE2-OG1 2.8Å; T202-H204 HydrophobicContact CG2-CB 4.28Å; T202-H204 PolarHBondContact O-N 3.3Å; T202-Y205 HydrophobicContact CG2-CD2 3.8Å; T202-Y205 HydrophobicContact CG2-CE2 3.62Å; T202-Y205 PolarHBondContact O-N 3.12Å; T202-Y205 VanDerWaalsContact O-N 3.16Å
203P79Confident65Low23 Ų2348.3 Ų48.315%0.14925%0.251CS..G310 helixtrans-57.9-22.3-171.420.5-34000114.2G201 Y205 M206 L246 F247 I250G201-P203 WeakPolarHBondContact O-CD 3.33Å; P203-Y205 PolarHBondContact O-N 2.73Å; P203-M206 HydrophobicContact CB-SD 4.37Å; P203-M206 WeakPolarHBondContact O-CB 3.39Å; P203-M206 PolarHBondContact O-N 3.24Å; P203-L246 HydrophobicContact CB-CD2 3.75Å; P203-L246 HydrophobicContact CG-CD2 3.56Å; P203-F247 HydrophobicContact CB-CE1 3.78Å; P203-I250 WeakPolarHBondContact O-CD1 3.4Å
204H88.6Confident67.7Low7 Ų746 Ų463%0.03225%0.246CC..G310 helixtrans-54.4-22.1176.1-6090.2000115.1T202 L237 F239 G241 E371T202-H204 HydrophobicContact CG2-CB 4.28Å; T202-H204 PolarHBondContact O-N 3.3Å; H204-L237 HydrophobicContact CB-CD1 3.91Å; H204-F239 PolarHBondContact CD2-O 2.98Å; H204-G241 PolarHBondContact NE2-O 3.48Å; H204-E371 IonicContact CE1-OE1 3.75Å; H204-E371 PolarHBondContact CE1-OE1 2.94Å
205Y91.6Very high70.2Confident15 Ų1543 Ų436%0.05922%0.223CC..G310 helixtrans-103.4-3.4179.7-57.4-93.6000113.5K143 P144 T202 P203 S224 V227 L237K143-Y205 HydrophobicContact CB-CD1 4.25Å; K143-Y205 HydrophobicContact CB-CD2 4.06Å; K143-Y205 HydrophobicContact CB-CE1 4.21Å; K143-Y205 HydrophobicContact CB-CE2 4.01Å; K143-Y205 HydrophobicContact CB-CG 4.18Å; P144-Y205 VanDerWaalsContact CD-CZ 3.41Å; P144-Y205 WeakPolarHBondContact CD-OH 3.39Å; P144-Y205 HydrophobicContact CG-CE1 4.37Å; P144-Y205 WeakPolarHBondContact CG-OH 3.14Å; T202-Y205 HydrophobicContact CG2-CD2 3.8Å; T202-Y205 HydrophobicContact CG2-CE2 3.62Å; T202-Y205 PolarHBondContact O-N 3.12Å; T202-Y205 VanDerWaalsContact O-N 3.16Å; P203-Y205 PolarHBondContact O-N 2.73Å; Y205-S224 PolarHBondContact O-OG 3.47Å; Y205-V227 HydrophobicContact CD1-CB 3.99Å; Y205-V227 HydrophobicContact CD1-CG1 3.36Å; Y205-V227 HydrophobicContact CE1-CG1 3.63Å; Y205-V227 HydrophobicContact CG-CG1 4.1Å; Y205-L237 HydrophobicContact CE1-CD2 3.89Å; Y205-L237 HydrophobicContact CE2-CD2 4.36Å; Y205-L237 WeakPolarHBondContact OH-CD2 3.22Å
206M90.5Very high73Confident25 Ų2537.9 Ų37.912%0.12320%0.195CC..  trans-75.4141.4-178-70.7-176.5173.300111.7I200 P203 M210 I211 W223I200-M206 HydrophobicContact CB-CE 3.78Å; I200-M206 HydrophobicContact CG2-CE 3.21Å; I200-M206 WeakPolarHBondContact O-CE 3.48Å; P203-M206 HydrophobicContact CB-SD 4.37Å; P203-M206 WeakPolarHBondContact O-CB 3.39Å; P203-M206 PolarHBondContact O-N 3.24Å; M206-M210 HydrophobicContact CG-CE 4.44Å; M206-I211 HydrophobicContact CB-CD1 4.4Å; M206-I211 HydrophobicContact CB-CG1 4.19Å; M206-W223 PolarHBondContact O-NE1 2.86Å
207A93.4Very high75.9Confident0 Ų033.2 Ų33.20%018%0.177CC..  trans-74.6150.8175.900000111.6E209 M210 I211 V220 W223A207-E209 VanDerWaalsContact C-N 3.28Å; A207-E209 HydrophobicContact CB-CG 4.37Å; A207-E209 WeakPolarHBondContact CB-OE2 3.44Å; A207-E209 PolarHBondContact O-N 3.11Å; A207-M210 HydrophobicContact CB-CG 4.35Å; A207-M210 HydrophobicContact CB-SD 4.36Å; A207-M210 WeakPolarHBondContact O-CB 3.13Å; A207-M210 PolarHBondContact O-N 3.47Å; A207-I211 PolarHBondContact O-N 3.21Å; A207-V220 HydrophobicContact CB-CB 4.01Å; A207-V220 HydrophobicContact CB-CG1 3.96Å; A207-W223 VanDerWaalsContact CA-CD1 3.49Å; A207-W223 HydrophobicContact CB-CB 3.83Å; A207-W223 HydrophobicContact CB-CD2 4.47Å; A207-W223 HydrophobicContact CB-CG 3.83Å
208P94.3Very high78.9Confident0 Ų032 Ų320%016%0.161CC..Hα-helixtrans-51.9-42.1178.6-28.635.1000114.2M210 I211 R212 W223 I250 V279P208-M210 VanDerWaalsContact C-N 3.28Å; P208-M210 PolarHBondContact O-N 2.66Å; P208-I211 PolarHBondContact O-N 3.11Å; P208-R212 WeakPolarHBondContact O-CG 3.31Å; P208-R212 PolarHBondContact O-N 3.01Å; P208-W223 HydrophobicContact CG-CE3 4.17Å; P208-W223 HydrophobicContact CG-CH2 3.66Å; P208-W223 HydrophobicContact CG-CZ2 4.08Å; P208-W223 HydrophobicContact CG-CZ3 3.72Å; P208-I250 HydrophobicContact CB-CG2 4.41Å; P208-I250 HydrophobicContact CG-CG2 3.9Å; P208-V279 HydrophobicContact CB-CG1 4.19Å; P208-V279 HydrophobicContact CG-CG1 4.19Å
209E93.3Very high81.9Confident2 Ų232.3 Ų32.31%0.00916%0.162CC..Hα-helixtrans-66.2-27.7179.463.5-88.1-153.700112.9A207 H213 E214 V220 R284A207-E209 VanDerWaalsContact C-N 3.28Å; A207-E209 HydrophobicContact CB-CG 4.37Å; A207-E209 WeakPolarHBondContact CB-OE2 3.44Å; A207-E209 PolarHBondContact O-N 3.11Å; E209-H213 PolarHBondContact O-N 3.22Å; E209-E214 HydrophobicContact CB-CB 4.27Å; E209-E214 PolarHBondContact O-N 2.98Å; E209-V220 HydrophobicContact CG-CG1 4.08Å; E209-V220 WeakPolarHBondContact OE1-CG1 3.11Å; E209-R284 IonicContact OE1-CZ 3.4Å; E209-R284 IonicContact OE1-NH1 3.1Å; E209-R284 PolarHBondContact OE1-NH1 2.98Å; E209-R284 IonicContact OE1-NH2 3.12Å; E209-R284 IonicContact OE2-CZ 3.4Å; E209-R284 IonicContact OE2-NH1 3.99Å; E209-R284 PolarHBondContact OE2-NH1 3.49Å; E209-R284 IonicContact OE2-NH2 2.8Å; E209-R284 PolarHBondContact OE2-NH2 3.15Å
210M88.8Confident84.5Confident8 Ų830 Ų304%0.03915%0.154CC..Hα-helixtrans-71.9-40.6173.3-65.4175.863.700111I182 M206 A207 P208 R212 H213 Y216 V220I182-M210 HydrophobicContact CD1-CE 3.76Å; M206-M210 HydrophobicContact CG-CE 4.44Å; A207-M210 HydrophobicContact CB-CG 4.35Å; A207-M210 HydrophobicContact CB-SD 4.36Å; A207-M210 WeakPolarHBondContact O-CB 3.13Å; A207-M210 PolarHBondContact O-N 3.47Å; P208-M210 VanDerWaalsContact C-N 3.28Å; P208-M210 PolarHBondContact O-N 2.66Å; M210-R212 VanDerWaalsContact C-N 3.33Å; M210-H213 PolarHBondContact O-N 2.88Å; M210-Y216 HydrophobicContact CG-CD1 4Å; M210-Y216 HydrophobicContact CG-CD2 4.44Å; M210-Y216 HydrophobicContact CG-CE1 4.23Å; M210-Y216 HydrophobicContact CG-CG 4.13Å; M210-V220 HydrophobicContact CG-CB 4.44Å; M210-V220 HydrophobicContact CG-CG1 3.79Å; M210-V220 HydrophobicContact SD-CB 3.84Å; M210-V220 HydrophobicContact SD-CG1 3.85Å; M210-V220 HydrophobicContact SD-CG2 4.35Å
211I88Confident87.3Confident27 Ų2728.2 Ų28.214%0.13814%0.144CC..Hα-helixtrans-67.6-35.8178-63.5174.4000111.1M206 A207 P208 H213 F247 I250 V251M206-I211 HydrophobicContact CB-CD1 4.4Å; M206-I211 HydrophobicContact CB-CG1 4.19Å; A207-I211 PolarHBondContact O-N 3.21Å; P208-I211 PolarHBondContact O-N 3.11Å; I211-H213 PolarHBondContact O-CD2 3.04Å; I211-H213 PolarHBondContact O-N 3.02Å; I211-F247 HydrophobicContact CD1-CD1 3.83Å; I211-F247 HydrophobicContact CD1-CE1 4.42Å; I211-F247 HydrophobicContact CG1-CD1 4.25Å; I211-F247 HydrophobicContact CG2-CB 3.86Å; I211-F247 HydrophobicContact CG2-CD1 4Å; I211-F247 HydrophobicContact CG2-CD2 4.39Å; I211-F247 HydrophobicContact CG2-CG 3.83Å; I211-I250 HydrophobicContact CD1-CB 3.63Å; I211-I250 HydrophobicContact CD1-CD1 3.56Å; I211-I250 HydrophobicContact CD1-CG1 4.19Å; I211-I250 HydrophobicContact CD1-CG2 3.36Å; I211-V251 HydrophobicContact CB-CG2 4.28Å; I211-V251 HydrophobicContact CG2-CG2 3.89Å
212R86.4Confident89.7Confident97 Ų9728.2 Ų28.237%0.36614%0.144SC..THydrogen-bonded Turntrans-75.9-2.6175.8-66.9176.7-168.6161.43.9113.8P208 M210 E214 V251P208-R212 WeakPolarHBondContact O-CG 3.31Å; P208-R212 PolarHBondContact O-N 3.01Å; M210-R212 VanDerWaalsContact C-N 3.33Å; R212-E214 HydrophobicContact CB-CG 3.78Å; R212-E214 WeakPolarHBondContact CD-OE1 3.46Å; R212-E214 IonicContact NH1-OE1 3.45Å; R212-E214 IonicContact NH1-OE2 3.92Å; R212-E214 PolarHBondContact O-N 3.34Å; R212-V251 HydrophobicContact CG-CG2 4.17Å; R212-V251 PolarHBondContact NH2-O 3.36Å
213H83.7Confident91.3Very high108 Ų10827.3 Ų27.350%0.514%0.138SC..THydrogen-bonded Turntrans54.833.9-172.3-57.8-80000112.9G178 E209 M210 I211G178-H213 WeakPolarHBondContact CA-O 3.38Å; E209-H213 PolarHBondContact O-N 3.22Å; M210-H213 PolarHBondContact O-N 2.88Å; I211-H213 PolarHBondContact O-CD2 3.04Å; I211-H213 PolarHBondContact O-N 3.02Å
214E87.8Confident92.1Very high78 Ų7826.3 Ų26.336%0.36413%0.132SC..  trans-84.5154.7175.4-70.4169.7-179.800110.1G178 E209 R212 Y216G178-E214 WeakPolarHBondContact CA-O 3.35Å; E209-E214 HydrophobicContact CB-CB 4.27Å; E209-E214 PolarHBondContact O-N 2.98Å; R212-E214 HydrophobicContact CB-CG 3.78Å; R212-E214 WeakPolarHBondContact CD-OE1 3.46Å; R212-E214 IonicContact NH1-OE1 3.45Å; R212-E214 IonicContact NH1-OE2 3.92Å; R212-E214 PolarHBondContact O-N 3.34Å; E214-Y216 WeakPolarHBondContact O-CD1 3.41Å; E214-Y216 PolarHBondContact O-N 2.85Å
215P86.6Confident92.6Very high72 Ų7226 Ų2647%0.46813%0.13SC..  trans-58.2129.1169.3-22.933.8000111.2V176V176-P215 WeakPolarHBondContact O-CA 3.48Å
216Y90.4Very high92.9Very high7 Ų725.2 Ų25.23%0.02713%0.127CC..BIsolated β-bridgetrans-130.5165-17462.3-99.3000112.1I138 R140 Q175 V176 M210 E214 V220I138-Y216 HydrophobicContact CD1-CD2 4.29Å; I138-Y216 HydrophobicContact CD1-CE2 3.98Å; R140-Y216 HydrophobicContact CG-CE2 4.46Å; R140-Y216 PolarHBondContact NH1-OH 3.17Å; Q175-Y216 CarbonylContact C-O 3.55Å; Q175-Y216 VanDerWaalsContact CA-O 3.32Å; Q175-Y216 WeakPolarHBondContact CA-O 3.44Å; V176-Y216 HydrophobicContact CB-CD2 4.23Å; V176-Y216 HydrophobicContact CB-CE1 4.49Å; V176-Y216 HydrophobicContact CB-CE2 3.77Å; V176-Y216 HydrophobicContact CG1-CE2 4.2Å; V176-Y216 HydrophobicContact CG2-CE2 4.01Å; V176-Y216 PolarHBondContact N-O 3.45Å; V176-Y216 PolarHBondContact O-N 3.49Å; V176-Y216 VanDerWaalsContact O-N 3.16Å; M210-Y216 HydrophobicContact CG-CD1 4Å; M210-Y216 HydrophobicContact CG-CD2 4.44Å; M210-Y216 HydrophobicContact CG-CE1 4.23Å; M210-Y216 HydrophobicContact CG-CG 4.13Å; E214-Y216 WeakPolarHBondContact O-CD1 3.41Å; E214-Y216 PolarHBondContact O-N 2.85Å; Y216-V220 HydrophobicContact CD2-CG1 3.71Å; Y216-V220 HydrophobicContact CD2-CG2 4.38Å; Y216-V220 HydrophobicContact CG-CG1 3.9Å
217G92.6Very high93.2Very high13 Ų1324 Ų2413%0.13412%0.122CC..  trans-146.9-147.7-178.400000112A219 V220G217-A219 PolarHBondContact O-N 3.48Å; G217-V220 WeakPolarHBondContact O-CG2 3.2Å; G217-V220 PolarHBondContact O-N 3.07Å
218K95.9Very high93.4Very high67 Ų6724.2 Ų24.229%0.29112%0.122SC..THydrogen-bonded Turntrans-53.9-26-176.1-65.3179.4-176.9179.30114.7H133 N136 I138 L169 V220 D221H133-K218 HydrophobicContact CB-CD 3.91Å; H133-K218 HydrophobicContact CB-CG 4.48Å; H133-K218 PolarHBondContact CE1-O 3.32Å; H133-K218 VanDerWaalsContact O-CE 3.28Å; H133-K218 WeakPolarHBondContact O-CE 3.44Å; H133-K218 PolarHBondContact O-NZ 3.05Å; N136-K218 PolarHBondContact OD1-NZ 2.88Å; I138-K218 HydrophobicContact CG2-CB 4.4Å; I138-K218 HydrophobicContact CG2-CG 3.9Å; L169-K218 HydrophobicContact CD1-CD 4.24Å; L169-K218 HydrophobicContact CD1-CG 3.62Å; K218-V220 PolarHBondContact O-N 3.35Å; K218-D221 PolarHBondContact O-N 3.27Å
219A96.7Very high93.6Very high24 Ų2424.2 Ų24.220%0.19812%0.122CC..Hα-helixtrans-61.6-24.2-179.200000113.8G217 D221 A222 W223 P281 R284G217-A219 PolarHBondContact O-N 3.48Å; A219-D221 VanDerWaalsContact C-N 3.32Å; A219-D221 PolarHBondContact O-N 2.83Å; A219-A222 WeakPolarHBondContact O-CB 3.2Å; A219-A222 PolarHBondContact O-N 3.13Å; A219-W223 PolarHBondContact O-N 2.88Å; A219-W223 VanDerWaalsContact O-N 3.16Å; A219-P281 HydrophobicContact CB-CB 3.82Å; A219-R284 VanDerWaalsContact C-NH1 3.32Å; A219-R284 WeakPolarHBondContact O-CD 3.4Å; A219-R284 PolarHBondContact O-NH1 3.3Å
220V95.2Very high93.8Very high0 Ų024.1 Ų24.10%012%0.122CC..Hα-helixtrans-64.2-37.6178.9-55.80000111.9R140 A207 E209 M210 Y216 G217 K218 A222 W223 S224R140-V220 HydrophobicContact CG-CG2 4.33Å; A207-V220 HydrophobicContact CB-CB 4.01Å; A207-V220 HydrophobicContact CB-CG1 3.96Å; E209-V220 HydrophobicContact CG-CG1 4.08Å; E209-V220 WeakPolarHBondContact OE1-CG1 3.11Å; M210-V220 HydrophobicContact CG-CB 4.44Å; M210-V220 HydrophobicContact CG-CG1 3.79Å; M210-V220 HydrophobicContact SD-CB 3.84Å; M210-V220 HydrophobicContact SD-CG1 3.85Å; M210-V220 HydrophobicContact SD-CG2 4.35Å; Y216-V220 HydrophobicContact CD2-CG1 3.71Å; Y216-V220 HydrophobicContact CD2-CG2 4.38Å; Y216-V220 HydrophobicContact CG-CG1 3.9Å; G217-V220 WeakPolarHBondContact O-CG2 3.2Å; G217-V220 PolarHBondContact O-N 3.07Å; K218-V220 PolarHBondContact O-N 3.35Å; V220-A222 VanDerWaalsContact C-N 3.3Å; V220-A222 PolarHBondContact O-N 3.37Å; V220-W223 WeakPolarHBondContact O-CB 3.26Å; V220-W223 PolarHBondContact O-N 3.21Å; V220-S224 PolarHBondContact O-N 3.32Å; V220-S224 VanDerWaalsContact O-N 3.11Å; V220-S224 PolarHBondContact O-OG 2.96Å
221D97.3Very high94.2Very high0 Ų023.8 Ų23.80%012%0.12CC..Hα-helixtrans-70.4-30.3178-65.6-26.3000111.4I129 H133 I138 H139 R140 K218 A219 S224 C225I129-D221 HydrophobicContact CG2-CB 3.8Å; H133-D221 IonicContact CD2-OD2 3.26Å; H133-D221 IonicContact CE1-OD2 3.14Å; H133-D221 IonicContact NE2-OD2 2.68Å; H133-D221 PolarHBondContact NE2-OD2 3.1Å; I138-D221 WeakPolarHBondContact CA-OD2 3.19Å; H139-D221 WeakPolarHBondContact CB-OD1 3.33Å; H139-D221 PolarHBondContact N-OD1 2.69Å; H139-D221 VanDerWaalsContact N-OD1 3.15Å; H139-D221 PolarHBondContact N-OD2 3.49Å; R140-D221 PolarHBondContact N-OD1 3.21Å; K218-D221 PolarHBondContact O-N 3.27Å; A219-D221 VanDerWaalsContact C-N 3.32Å; A219-D221 PolarHBondContact O-N 2.83Å; D221-S224 PolarHBondContact O-N 2.88Å; D221-C225 WeakPolarHBondContact O-CB 3.46Å; D221-C225 PolarHBondContact O-N 3.23Å; D221-C225 PolarHBondContact O-SG 2.54Å
222A98.2Very high94.6Very high1 Ų122.6 Ų22.61%0.00811%0.114CC..Hα-helixtrans-66.3-39174.200000111.5A219 V220 C225 G226 L276 L285 I287A219-A222 WeakPolarHBondContact O-CB 3.2Å; A219-A222 PolarHBondContact O-N 3.13Å; V220-A222 VanDerWaalsContact C-N 3.3Å; V220-A222 PolarHBondContact O-N 3.37Å; A222-C225 WeakPolarHBondContact O-CB 3.39Å; A222-C225 PolarHBondContact O-N 3.18Å; A222-G226 PolarHBondContact O-N 3.04Å; A222-L276 HydrophobicContact CB-CD2 4.23Å; A222-L285 WeakPolarHBondContact CB-O 3.37Å; A222-I287 HydrophobicContact CB-CD1 3.85Å; A222-I287 HydrophobicContact CB-CG1 4.35Å
223W98.2Very high95.2Very high0 Ų018 Ų180%010%0.097CC..Hα-helixtrans-60.7-50.4171.8175.9-88.8000111.5M206 A207 P208 A219 V220 C225 G226 V227 F239 I250 L277M206-W223 PolarHBondContact O-NE1 2.86Å; A207-W223 VanDerWaalsContact CA-CD1 3.49Å; A207-W223 HydrophobicContact CB-CB 3.83Å; A207-W223 HydrophobicContact CB-CD2 4.47Å; A207-W223 HydrophobicContact CB-CG 3.83Å; P208-W223 HydrophobicContact CG-CE3 4.17Å; P208-W223 HydrophobicContact CG-CH2 3.66Å; P208-W223 HydrophobicContact CG-CZ2 4.08Å; P208-W223 HydrophobicContact CG-CZ3 3.72Å; A219-W223 PolarHBondContact O-N 2.88Å; A219-W223 VanDerWaalsContact O-N 3.16Å; V220-W223 WeakPolarHBondContact O-CB 3.26Å; V220-W223 PolarHBondContact O-N 3.21Å; W223-C225 VanDerWaalsContact C-N 3.26Å; W223-C225 PolarHBondContact O-N 3.34Å; W223-G226 CarbonylContact O-C 3.56Å; W223-G226 VanDerWaalsContact O-CA 3.3Å; W223-G226 WeakPolarHBondContact O-CA 3.29Å; W223-G226 PolarHBondContact O-N 3.24Å; W223-V227 PolarHBondContact O-N 3.3Å; W223-F239 HydrophobicContact CH2-CE2 4.12Å; W223-F239 AromaticContact CH2-CZ 3.58Å; W223-F239 HydrophobicContact CH2-CZ 3.58Å; W223-F239 HydrophobicContact CZ2-CD2 4.5Å; W223-F239 HydrophobicContact CZ2-CE1 4.4Å; W223-F239 AromaticContact CZ2-CE2 3.36Å; W223-F239 HydrophobicContact CZ2-CE2 3.36Å; W223-F239 AromaticContact CZ2-CZ 3.3Å; W223-F239 HydrophobicContact CZ2-CZ 3.3Å; W223-I250 HydrophobicContact CH2-CG2 4.33Å; W223-I250 HydrophobicContact CZ2-CG2 3.7Å; W223-L277 HydrophobicContact CD2-CD2 3.95Å; W223-L277 HydrophobicContact CE3-CD2 4.04Å; W223-L277 HydrophobicContact CH2-CD2 4.41Å; W223-L277 HydrophobicContact CZ2-CD2 4.29Å; W223-L277 HydrophobicContact CZ3-CB 4.26Å; W223-L277 HydrophobicContact CZ3-CD2 4.27Å
224S96.9Very high95.7Very high1 Ų113 Ų131%0.0077%0.074CC..Hα-helixtrans-62.4-33.4178.5-51.90000112.2Y205 V220 D221 G226 V227 L228Y205-S224 PolarHBondContact O-OG 3.47Å; V220-S224 PolarHBondContact O-N 3.32Å; V220-S224 VanDerWaalsContact O-N 3.11Å; V220-S224 PolarHBondContact O-OG 2.96Å; D221-S224 PolarHBondContact O-N 2.88Å; S224-G226 VanDerWaalsContact C-N 3.32Å; S224-V227 PolarHBondContact O-N 3.11Å; S224-L228 WeakPolarHBondContact O-CB 3.49Å; S224-L228 PolarHBondContact O-N 2.63Å
225C98.2Very high96Very high0 Ų09.2 Ų9.20%06%0.056CC..Hα-helixtrans-63.3-37.6169.3-710000112.1L126 L142 D221 A222 W223 L228 L229 I287L126-C225 HydrophobicContact CD2-CB 4.11Å; L142-C225 HydrophobicContact CD2-CB 4.39Å; L142-C225 WeakPolarHBondContact CD2-SG 3.48Å; D221-C225 WeakPolarHBondContact O-CB 3.46Å; D221-C225 PolarHBondContact O-N 3.23Å; D221-C225 PolarHBondContact O-SG 2.54Å; A222-C225 WeakPolarHBondContact O-CB 3.39Å; A222-C225 PolarHBondContact O-N 3.18Å; W223-C225 VanDerWaalsContact C-N 3.26Å; W223-C225 PolarHBondContact O-N 3.34Å; C225-L228 PolarHBondContact O-N 2.93Å; C225-L229 VanDerWaalsContact O-CB 3.32Å; C225-L229 WeakPolarHBondContact O-CB 3.45Å; C225-L229 PolarHBondContact O-N 2.56Å; C225-I287 HydrophobicContact CB-CD1 4.49Å
226G98.2Very high96.3Very high0 Ų05.8 Ų5.80%03%0.034CC..Hα-helixtrans-63.4-44.8173.600000112.6A222 W223 S224 L229 F230A222-G226 PolarHBondContact O-N 3.04Å; W223-G226 CarbonylContact O-C 3.56Å; W223-G226 VanDerWaalsContact O-CA 3.3Å; W223-G226 WeakPolarHBondContact O-CA 3.29Å; W223-G226 PolarHBondContact O-N 3.24Å; S224-G226 VanDerWaalsContact C-N 3.32Å; G226-L229 PolarHBondContact O-N 2.91Å; G226-F230 WeakPolarHBondContact O-CB 2.86Å; G226-F230 PolarHBondContact O-N 2.91Å
227V97.9Very high96.4Very high0 Ų05.8 Ų5.80%04%0.035CC..Hα-helixtrans-62.8-44175.2177.90000110.6Y205 W223 S224 F230 L231 L237 P238 F239 L277Y205-V227 HydrophobicContact CD1-CB 3.99Å; Y205-V227 HydrophobicContact CD1-CG1 3.36Å; Y205-V227 HydrophobicContact CE1-CG1 3.63Å; Y205-V227 HydrophobicContact CG-CG1 4.1Å; W223-V227 PolarHBondContact O-N 3.3Å; S224-V227 PolarHBondContact O-N 3.11Å; V227-F230 WeakPolarHBondContact O-CB 3.14Å; V227-F230 PolarHBondContact O-N 3.12Å; V227-L231 PolarHBondContact O-N 3.49Å; V227-L237 HydrophobicContact CG1-CD2 3.96Å; V227-P238 HydrophobicContact CB-CG 4.31Å; V227-P238 HydrophobicContact CG1-CG 3.93Å; V227-P238 HydrophobicContact CG2-CG 4.1Å; V227-F239 HydrophobicContact CG2-CE2 4.24Å; V227-L277 HydrophobicContact CG2-CD2 3.8Å
228L97.3Very high96.4Very high3 Ų35.2 Ų5.22%0.0163%0.028CC..Hα-helixtrans-65.5-40.8177.2-173.563.6000112.1I125 L142 P144 V147 S224 C225 F230 L231 L232I125-L228 HydrophobicContact CD1-CD2 3.71Å; I125-L228 HydrophobicContact CG2-CD2 4.32Å; L142-L228 HydrophobicContact CG-CD2 4.48Å; P144-L228 HydrophobicContact CG-CD1 3.98Å; V147-L228 HydrophobicContact CG2-CD2 3.96Å; S224-L228 WeakPolarHBondContact O-CB 3.49Å; S224-L228 PolarHBondContact O-N 2.63Å; C225-L228 PolarHBondContact O-N 2.93Å; L228-F230 VanDerWaalsContact C-N 3.34Å; L228-L231 HydrophobicContact CD1-CD2 4.34Å; L228-L231 WeakPolarHBondContact O-CB 3.3Å; L228-L231 PolarHBondContact O-N 3.17Å; L228-L232 HydrophobicContact CG-CD1 4.43Å; L228-L232 VanDerWaalsContact O-CG 3.29Å; L228-L232 WeakPolarHBondContact O-CG 3.31Å; L228-L232 PolarHBondContact O-N 2.87Å
229L98Very high96.2Very high0 Ų02 Ų20%02%0.015CC..Hα-helixtrans-62.9-43.1174.7179.254000111.4L122 C225 G226 L231 L232 L233 L272 V273 L276 W295L122-L229 HydrophobicContact CD2-CB 3.92Å; L122-L229 HydrophobicContact CD2-CD1 3.67Å; L122-L229 HydrophobicContact CD2-CD2 3.61Å; L122-L229 HydrophobicContact CD2-CG 3.88Å; C225-L229 VanDerWaalsContact O-CB 3.32Å; C225-L229 WeakPolarHBondContact O-CB 3.45Å; C225-L229 PolarHBondContact O-N 2.56Å; G226-L229 PolarHBondContact O-N 2.91Å; L229-L231 VanDerWaalsContact C-N 3.28Å; L229-L231 PolarHBondContact O-N 3.27Å; L229-L232 PolarHBondContact O-N 2.68Å; L229-L233 HydrophobicContact CD1-CD1 3.7Å; L229-L233 HydrophobicContact CD1-CD2 4.44Å; L229-L233 HydrophobicContact CD1-CG 3.81Å; L229-L233 HydrophobicContact CD2-CD1 4.47Å; L229-L233 HydrophobicContact CG-CD1 3.83Å; L229-L233 HydrophobicContact CG-CG 4.35Å; L229-L233 WeakPolarHBondContact O-CB 3.27Å; L229-L233 WeakPolarHBondContact O-CG 3.49Å; L229-L233 PolarHBondContact O-N 3.17Å; L229-L272 HydrophobicContact CD2-CB 4.17Å; L229-L272 HydrophobicContact CD2-CD2 3.69Å; L229-L272 HydrophobicContact CD2-CG 3.69Å; L229-V273 HydrophobicContact CB-CG2 4.34Å; L229-V273 HydrophobicContact CD2-CG2 3.48Å; L229-V273 VanDerWaalsContact CD2-CG2 3.48Å; L229-V273 HydrophobicContact CG-CG2 3.61Å; L229-L276 HydrophobicContact CD2-CD1 4.21Å; L229-W295 HydrophobicContact CD1-CH2 3.62Å; L229-W295 HydrophobicContact CD1-CZ3 3.63Å; L229-W295 HydrophobicContact CD2-CZ3 4.44Å
230F98.1Very high95.6Very high0 Ų01 Ų10%01%0.005CC..Hα-helixtrans-55.4-47175.3-170.3-74.1000110.7G226 V227 L228 L233 S234 S236 P238 Y255 H256 R257 W262 V273 L277G226-F230 WeakPolarHBondContact O-CB 2.86Å; G226-F230 PolarHBondContact O-N 2.91Å; V227-F230 WeakPolarHBondContact O-CB 3.14Å; V227-F230 PolarHBondContact O-N 3.12Å; L228-F230 VanDerWaalsContact C-N 3.34Å; F230-L233 PolarHBondContact O-N 3.02Å; F230-S234 WeakPolarHBondContact CD1-OG 3.25Å; F230-S234 WeakPolarHBondContact CE1-OG 3.49Å; F230-S234 WeakPolarHBondContact O-CB 3.4Å; F230-S234 PolarHBondContact O-N 3.2Å; F230-S234 PolarHBondContact O-OG 2.9Å; F230-S236 VanDerWaalsContact CD1-O 3.31Å; F230-S236 WeakPolarHBondContact CD1-O 3.37Å; F230-P238 HydrophobicContact CB-CB 4.42Å; F230-P238 HydrophobicContact CB-CG 4.21Å; F230-P238 HydrophobicContact CD1-CB 3.87Å; F230-P238 HydrophobicContact CD1-CG 4.15Å; F230-P238 HydrophobicContact CD2-CB 3.77Å; F230-P238 HydrophobicContact CD2-CG 4.45Å; F230-P238 HydrophobicContact CE1-CB 4.1Å; F230-P238 HydrophobicContact CE2-CB 4Å; F230-P238 HydrophobicContact CG-CB 3.74Å; F230-P238 HydrophobicContact CG-CG 4.01Å; F230-P238 HydrophobicContact CZ-CB 4.17Å; F230-Y255 HydrophobicContact CD2-CD2 4.16Å; F230-Y255 HydrophobicContact CD2-CE2 4.39Å; F230-Y255 AromaticContact CE2-CD2 3.64Å; F230-Y255 HydrophobicContact CE2-CD2 3.64Å; F230-Y255 HydrophobicContact CE2-CE2 4.07Å; F230-H256 WeakPolarHBondContact CZ-O 3.35Å; F230-R257 HydrophobicContact CE2-CG 4.11Å; F230-R257 HydrophobicContact CZ-CG 4.39Å; F230-W262 HydrophobicContact CB-CZ2 4.5Å; F230-W262 AromaticContact CD1-CZ2 3.91Å; F230-W262 HydrophobicContact CD1-CZ2 3.91Å; F230-W262 AromaticContact CD2-CH2 3.67Å; F230-W262 HydrophobicContact CD2-CH2 3.67Å; F230-W262 AromaticContact CD2-CZ2 3.25Å; F230-W262 HydrophobicContact CD2-CZ2 3.25Å; F230-W262 AromaticContact CE1-CZ2 3.76Å; F230-W262 HydrophobicContact CE1-CZ2 3.76Å; F230-W262 AromaticContact CE1-NE1 3.83Å; F230-W262 AromaticContact CE2-CE2 3.52Å; F230-W262 AromaticContact CE2-CH2 3.8Å; F230-W262 HydrophobicContact CE2-CH2 3.8Å; F230-W262 AromaticContact CE2-CZ2 3.06Å; F230-W262 HydrophobicContact CE2-CZ2 3.06Å; F230-W262 AromaticContact CE2-NE1 3.83Å; F230-W262 HydrophobicContact CG-CH2 4.2Å; F230-W262 AromaticContact CG-CZ2 3.64Å; F230-W262 HydrophobicContact CG-CZ2 3.64Å; F230-W262 AromaticContact CZ-CE2 3.44Å; F230-W262 VanDerWaalsContact CZ-CE2 3.44Å; F230-W262 HydrophobicContact CZ-CH2 4.43Å; F230-W262 AromaticContact CZ-CZ2 3.31Å; F230-W262 HydrophobicContact CZ-CZ2 3.31Å; F230-W262 AromaticContact CZ-NE1 3.26Å; F230-W262 VanDerWaalsContact CZ-NE1 3.26Å; F230-V273 HydrophobicContact CB-CG1 4.47Å; F230-V273 HydrophobicContact CD2-CG1 3.88Å; F230-L277 HydrophobicContact CD2-CD1 4.31Å
231L96.6Very high94.9Very high1 Ų11.2 Ų1.21%0.0051%0.007CC..Hα-helixtrans-61.8-45.1174.8179.471.1000112.4P144 V227 L228 L229 L233 S234 G235 S236 L237 M314 F317P144-L231 HydrophobicContact CB-CD2 4.34Å; P144-L231 HydrophobicContact CG-CD2 3.3Å; V227-L231 PolarHBondContact O-N 3.49Å; L228-L231 HydrophobicContact CD1-CD2 4.34Å; L228-L231 WeakPolarHBondContact O-CB 3.3Å; L228-L231 PolarHBondContact O-N 3.17Å; L229-L231 VanDerWaalsContact C-N 3.28Å; L229-L231 PolarHBondContact O-N 3.27Å; L231-L233 VanDerWaalsContact C-N 3.25Å; L231-L233 PolarHBondContact O-N 3.04Å; L231-S234 PolarHBondContact O-N 2.66Å; L231-G235 WeakPolarHBondContact CD1-O 3.43Å; L231-G235 WeakPolarHBondContact O-CA 3.36Å; L231-G235 PolarHBondContact O-N 2.89Å; L231-S236 WeakPolarHBondContact CA-O 3.47Å; L231-L237 HydrophobicContact CD1-CD2 4.48Å; L231-M314 WeakPolarHBondContact O-CE 3.49Å; L231-F317 HydrophobicContact CD1-CD1 3.87Å; L231-F317 HydrophobicContact CD1-CD2 4.06Å; L231-F317 HydrophobicContact CD1-CE1 3.83Å; L231-F317 HydrophobicContact CD1-CE2 4.03Å; L231-F317 HydrophobicContact CD1-CG 3.97Å; L231-F317 HydrophobicContact CD1-CZ 3.89Å; L231-F317 HydrophobicContact CD2-CD1 4.43Å; L231-F317 HydrophobicContact CD2-CE1 3.66Å; L231-F317 HydrophobicContact CD2-CZ 3.74Å; L231-F317 HydrophobicContact CG-CE1 4.34Å; L231-F317 HydrophobicContact CG-CZ 4.49Å
232L97.4Very high94.1Very high3 Ų32.1 Ų2.12%0.0161%0.013CC..Hα-helixtrans-63.6-30.7179.2-71.6176.3000112.8L99 I103 Y113 A118 L228 L229L99-L232 HydrophobicContact CD2-CD1 4.4Å; L99-L232 HydrophobicContact CD2-CD2 3.86Å; L99-L232 HydrophobicContact CG-CD2 4.28Å; I103-L232 HydrophobicContact CD1-CD2 3.59Å; Y113-L232 VanDerWaalsContact CE1-O 3.24Å; Y113-L232 WeakPolarHBondContact CE1-O 2.92Å; Y113-L232 PolarHBondContact OH-O 2.81Å; A118-L232 HydrophobicContact CB-CB 4.34Å; L228-L232 HydrophobicContact CG-CD1 4.43Å; L228-L232 VanDerWaalsContact O-CG 3.29Å; L228-L232 WeakPolarHBondContact O-CG 3.31Å; L228-L232 PolarHBondContact O-N 2.87Å; L229-L232 PolarHBondContact O-N 2.68Å
233L97.4Very high93Very high0 Ų09.4 Ų9.40%04%0.04CC..Hα-helixtrans-87.8-31.4-180-68.7171.7000113E115 A118 L229 F230 L231 W262 I265 A269 V273 W295 T310E115-L233 HydrophobicContact CG-CD2 3.95Å; A118-L233 HydrophobicContact CB-CD2 4.33Å; L229-L233 HydrophobicContact CD1-CD1 3.7Å; L229-L233 HydrophobicContact CD1-CD2 4.44Å; L229-L233 HydrophobicContact CD1-CG 3.81Å; L229-L233 HydrophobicContact CD2-CD1 4.47Å; L229-L233 HydrophobicContact CG-CD1 3.83Å; L229-L233 HydrophobicContact CG-CG 4.35Å; L229-L233 WeakPolarHBondContact O-CB 3.27Å; L229-L233 WeakPolarHBondContact O-CG 3.49Å; L229-L233 PolarHBondContact O-N 3.17Å; F230-L233 PolarHBondContact O-N 3.02Å; L231-L233 VanDerWaalsContact C-N 3.25Å; L231-L233 PolarHBondContact O-N 3.04Å; L233-W262 HydrophobicContact CB-CH2 4.3Å; L233-W262 HydrophobicContact CD1-CH2 4.22Å; L233-W262 HydrophobicContact CD1-CZ3 4.43Å; L233-I265 HydrophobicContact CB-CD1 4.29Å; L233-I265 HydrophobicContact CD1-CG2 4.23Å; L233-I265 HydrophobicContact CD2-CD1 4.48Å; L233-I265 HydrophobicContact CD2-CG2 4.44Å; L233-I265 WeakPolarHBondContact O-CD1 3.18Å; L233-A269 HydrophobicContact CD1-CB 3.87Å; L233-A269 HydrophobicContact CD2-CB 4.29Å; L233-V273 HydrophobicContact CD1-CG2 3.7Å; L233-W295 HydrophobicContact CD2-CH2 4.04Å; L233-W295 HydrophobicContact CD2-CZ2 3.82Å; L233-T310 VanDerWaalsContact C-CG2 3.43Å; L233-T310 WeakPolarHBondContact O-CG2 3.48Å; L233-T310 PolarHBondContact O-OG1 3.16Å
234S95.4Very high92.3Very high2 Ų215.3 Ų15.31%0.0147%0.072CC..Hα-helixtrans-114.2-22.1-170.769.40000115.5F230 L231 S236F230-S234 WeakPolarHBondContact CD1-OG 3.25Å; F230-S234 WeakPolarHBondContact CE1-OG 3.49Å; F230-S234 WeakPolarHBondContact O-CB 3.4Å; F230-S234 PolarHBondContact O-N 3.2Å; F230-S234 PolarHBondContact O-OG 2.9Å; L231-S234 PolarHBondContact O-N 2.66Å; S234-S236 PolarHBondContact O-N 3.3Å; S234-S236 PolarHBondContact OG-N 2.84Å; S234-S236 PolarHBondContact OG-O 2.96Å
235G93.8Very high91.6Very high0 Ų017.9 Ų17.90%09%0.087CC..SBendtrans82.9-13.1-173.300000114.2L231 E313 F317L231-G235 WeakPolarHBondContact CD1-O 3.43Å; L231-G235 WeakPolarHBondContact O-CA 3.36Å; L231-G235 PolarHBondContact O-N 2.89Å; G235-E313 CarbonylContact O-C 3.37Å; G235-F317 VanDerWaalsContact O-CB 3.31Å; G235-F317 WeakPolarHBondContact O-CB 3.07Å
236S91.8Very high91Very high0 Ų017.9 Ų17.90%09%0.088CC..SBendtrans-114.2166.8175.7-69.70000112.6F230 L231 S234 Y240 E313 E378F230-S236 VanDerWaalsContact CD1-O 3.31Å; F230-S236 WeakPolarHBondContact CD1-O 3.37Å; L231-S236 WeakPolarHBondContact CA-O 3.47Å; S234-S236 PolarHBondContact O-N 3.3Å; S234-S236 PolarHBondContact OG-N 2.84Å; S234-S236 PolarHBondContact OG-O 2.96Å; S236-Y240 WeakPolarHBondContact CB-OH 3.2Å; S236-E313 WeakPolarHBondContact OG-CG 3.48Å; S236-E313 PolarHBondContact OG-OE1 2.94Å; S236-E378 WeakPolarHBondContact CB-OE2 3.43Å; S236-E378 PolarHBondContact OG-OE2 2.98Å
237L92.5Very high90.5Very high7 Ų721.5 Ų21.54%0.03710%0.103CC..  trans-81.7152.5171.6-69.3172.4000111.6H204 Y205 V227 L231 Y240 F317H204-L237 HydrophobicContact CB-CD1 3.91Å; Y205-L237 HydrophobicContact CE1-CD2 3.89Å; Y205-L237 HydrophobicContact CE2-CD2 4.36Å; Y205-L237 WeakPolarHBondContact OH-CD2 3.22Å; V227-L237 HydrophobicContact CG1-CD2 3.96Å; L231-L237 HydrophobicContact CD1-CD2 4.48Å; L237-Y240 WeakPolarHBondContact O-CE1 3.33Å; L237-Y240 PolarHBondContact O-OH 3.43Å; L237-F317 HydrophobicContact CD1-CE2 3.97Å; L237-F317 HydrophobicContact CD2-CE2 4.38Å; L237-F317 HydrophobicContact CG-CE2 3.94Å
238P93.1Very high90.2Very high0 Ų025.9 Ų25.90%013%0.13CC..SBendtrans-68.9-30.7178.520.7-27.3000114V227 F230 Y255 H256 L277V227-P238 HydrophobicContact CB-CG 4.31Å; V227-P238 HydrophobicContact CG1-CG 3.93Å; V227-P238 HydrophobicContact CG2-CG 4.1Å; F230-P238 HydrophobicContact CB-CB 4.42Å; F230-P238 HydrophobicContact CB-CG 4.21Å; F230-P238 HydrophobicContact CD1-CB 3.87Å; F230-P238 HydrophobicContact CD1-CG 4.15Å; F230-P238 HydrophobicContact CD2-CB 3.77Å; F230-P238 HydrophobicContact CD2-CG 4.45Å; F230-P238 HydrophobicContact CE1-CB 4.1Å; F230-P238 HydrophobicContact CE2-CB 4Å; F230-P238 HydrophobicContact CG-CB 3.74Å; F230-P238 HydrophobicContact CG-CG 4.01Å; F230-P238 HydrophobicContact CZ-CB 4.17Å; P238-Y255 HydrophobicContact CB-CD2 4.42Å; P238-Y255 HydrophobicContact CB-CG 4.22Å; P238-Y255 CarbonylContact O-C 3.4Å; P238-Y255 VanDerWaalsContact O-CA 3.22Å; P238-Y255 WeakPolarHBondContact O-CA 3.41Å; P238-Y255 WeakPolarHBondContact O-CB 3.44Å; P238-H256 PolarHBondContact O-N 3.16Å; P238-L277 HydrophobicContact CB-CD1 4.32Å; P238-L277 HydrophobicContact CG-CD1 4.47Å
239F91.2Very high89.8Confident1 Ų126.1 Ų26.10%0.00413%0.131CC..SBendtrans-118141.5-175.2-48.2-73.2000109.2H204 W223 V227 L246 Q249 I250 Y255H204-F239 PolarHBondContact CD2-O 2.98Å; W223-F239 HydrophobicContact CH2-CE2 4.12Å; W223-F239 AromaticContact CH2-CZ 3.58Å; W223-F239 HydrophobicContact CH2-CZ 3.58Å; W223-F239 HydrophobicContact CZ2-CD2 4.5Å; W223-F239 HydrophobicContact CZ2-CE1 4.4Å; W223-F239 AromaticContact CZ2-CE2 3.36Å; W223-F239 HydrophobicContact CZ2-CE2 3.36Å; W223-F239 AromaticContact CZ2-CZ 3.3Å; W223-F239 HydrophobicContact CZ2-CZ 3.3Å; V227-F239 HydrophobicContact CG2-CE2 4.24Å; F239-L246 HydrophobicContact CB-CD1 3.55Å; F239-Q249 HydrophobicContact CD1-CB 3.98Å; F239-I250 HydrophobicContact CB-CG1 4.2Å; F239-I250 HydrophobicContact CD1-CG1 4.06Å; F239-I250 HydrophobicContact CD2-CD1 4.47Å; F239-I250 HydrophobicContact CD2-CG1 3.75Å; F239-I250 HydrophobicContact CE1-CG1 4.37Å; F239-I250 HydrophobicContact CE2-CG1 4.15Å; F239-I250 HydrophobicContact CG-CG1 3.73Å; F239-I250 HydrophobicContact CZ-CG1 4.45Å; F239-Y255 HydrophobicContact CE1-CD1 4.27Å; F239-Y255 HydrophobicContact CE1-CG 4.42Å; F239-Y255 HydrophobicContact CZ-CD1 4.38Å
240Y85.7Confident89.5Confident2 Ų226.1 Ų26.11%0.00813%0.131CC..  trans-124.5163.2-178.1-57.2-60000111.7S236 L237 Q249 H256 Q374 E378S236-Y240 WeakPolarHBondContact CB-OH 3.2Å; L237-Y240 WeakPolarHBondContact O-CE1 3.33Å; L237-Y240 PolarHBondContact O-OH 3.43Å; Y240-Q249 PolarHBondContact O-NE2 3.05Å; Y240-H256 HydrophobicContact CD2-CB 3.94Å; Y240-H256 AromaticContact CD2-CG 3.8Å; Y240-H256 AromaticContact CD2-ND1 3.53Å; Y240-H256 HydrophobicContact CE2-CB 3.44Å; Y240-H256 VanDerWaalsContact CE2-CB 3.44Å; Y240-H256 AromaticContact CE2-CG 3.83Å; Y240-H256 AromaticContact CE2-ND1 3.99Å; Y240-Q374 HydrophobicContact CD1-CG 4.15Å; Y240-Q374 HydrophobicContact CE1-CG 4.28Å; Y240-Q374 VanDerWaalsContact CE1-NE2 3.33Å; Y240-E378 PolarHBondContact OH-OE2 3.02Å
241G79.3Confident89.3Confident4 Ų428.2 Ų28.24%0.04114%0.144CC..SBendtrans86.9-167.1176.500000113.4H204 C375H204-G241 PolarHBondContact NE2-O 3.48Å; G241-C375 PolarHBondContact N-SG 3.47Å
242T80.8Confident89.2Confident19 Ų1931.5 Ų31.512%0.11717%0.167CC..SBendtrans-129161.6-167.558.50000110.9D244 V245 L246 D368 E371 E372T242-D244 PolarHBondContact O-N 3.24Å; T242-V245 PolarHBondContact O-N 2.71Å; T242-V245 VanDerWaalsContact O-N 3.11Å; T242-L246 PolarHBondContact O-N 3.14Å; T242-L246 VanDerWaalsContact O-N 3.16Å; T242-D368 HydrophobicContact CG2-CB 3.88Å; T242-E371 HydrophobicContact CG2-CB 3.62Å; T242-E371 HydrophobicContact CG2-CG 4.03Å; T242-E372 HydrophobicContact CG2-CG 4.18Å; T242-E372 PolarHBondContact OG1-OE1 3.46Å
243R76.1Confident88.9Confident155 Ų15532.2 Ų32.259%0.58518%0.175SC*.Hα-helixtrans45.1-124.6169.7-55179.2-171162.67113.1V245 L246 F247 D368R243-V245 VanDerWaalsContact C-N 3.31Å; R243-V245 PolarHBondContact O-N 2.83Å; R243-L246 PolarHBondContact O-N 2.96Å; R243-F247 WeakPolarHBondContact O-CB 3.37Å; R243-F247 WeakPolarHBondContact O-CD2 3.48Å; R243-F247 WeakPolarHBondContact O-CG 3.19Å; R243-F247 PolarHBondContact O-N 3.25Å; R243-D368 IonicContact CZ-OD2 3.95Å; R243-D368 IonicContact NE-OD2 3.87Å; R243-D368 IonicContact NH2-OD2 3.99Å; R243-D368 PolarHBondContact NH2-OD2 2.83Å
244D81.6Confident88.6Confident123 Ų12337.6 Ų37.666%0.65820%0.195SC*.Hα-helixtrans-63.3-33.3-175.2-65.4-29.3000113.3T242 T248T242-D244 PolarHBondContact O-N 3.24Å; D244-T248 WeakPolarHBondContact O-CB 3.33Å; D244-T248 PolarHBondContact O-N 3.17Å; D244-T248 PolarHBondContact O-OG1 2.91Å
245V82.5Confident88.3Confident55 Ų5539.4 Ų39.433%0.33320%0.202SC..Hα-helixtrans-66.2-44.3178.41770000110.2T242 R243 Q249 L386T242-V245 PolarHBondContact O-N 2.71Å; T242-V245 VanDerWaalsContact O-N 3.11Å; R243-V245 VanDerWaalsContact C-N 3.31Å; R243-V245 PolarHBondContact O-N 2.83Å; V245-Q249 WeakPolarHBondContact O-CG 3.49Å; V245-Q249 PolarHBondContact O-N 3.17Å; V245-Q249 PolarHBondContact O-NE2 3.45Å; V245-L386 HydrophobicContact CG1-CD2 4.18Å
246L85.4Confident87.9Confident1 Ų140.1 Ų40.11%0.00521%0.206CC..Hα-helixtrans-66.5-47.9175.8177.561.7000111.4P203 F239 T242 R243 T248 Q249 I250P203-L246 HydrophobicContact CB-CD2 3.75Å; P203-L246 HydrophobicContact CG-CD2 3.56Å; F239-L246 HydrophobicContact CB-CD1 3.55Å; T242-L246 PolarHBondContact O-N 3.14Å; T242-L246 VanDerWaalsContact O-N 3.16Å; R243-L246 PolarHBondContact O-N 2.96Å; L246-T248 VanDerWaalsContact C-N 3.31Å; L246-T248 PolarHBondContact O-N 3.27Å; L246-Q249 WeakPolarHBondContact O-CB 3.38Å; L246-Q249 PolarHBondContact O-N 3.24Å; L246-I250 HydrophobicContact CD1-CD1 3.93Å; L246-I250 HydrophobicContact CD1-CG1 4.33Å; L246-I250 HydrophobicContact CG-CD1 3.91Å; L246-I250 WeakPolarHBondContact O-CG1 3.42Å; L246-I250 PolarHBondContact O-N 2.93Å
247F89.4Confident87.7Confident75 Ų7544.8 Ų44.833%0.32922%0.223SC..Hα-helixtrans-61.9-40.1-179.4-65.4-19.9000112P203 I211 R243 Q249 I250 V251P203-F247 HydrophobicContact CB-CE1 3.78Å; I211-F247 HydrophobicContact CD1-CD1 3.83Å; I211-F247 HydrophobicContact CD1-CE1 4.42Å; I211-F247 HydrophobicContact CG1-CD1 4.25Å; I211-F247 HydrophobicContact CG2-CB 3.86Å; I211-F247 HydrophobicContact CG2-CD1 4Å; I211-F247 HydrophobicContact CG2-CD2 4.39Å; I211-F247 HydrophobicContact CG2-CG 3.83Å; R243-F247 WeakPolarHBondContact O-CB 3.37Å; R243-F247 WeakPolarHBondContact O-CD2 3.48Å; R243-F247 WeakPolarHBondContact O-CG 3.19Å; R243-F247 PolarHBondContact O-N 3.25Å; F247-Q249 VanDerWaalsContact C-N 3.35Å; F247-Q249 PolarHBondContact O-N 3.34Å; F247-I250 PolarHBondContact O-N 3.45Å; F247-V251 VanDerWaalsContact O-CB 3.25Å; F247-V251 WeakPolarHBondContact O-CB 3.15Å; F247-V251 VanDerWaalsContact O-CG2 3.28Å; F247-V251 WeakPolarHBondContact O-CG2 3.44Å; F247-V251 PolarHBondContact O-N 3.01Å
248T89.9Confident87.2Confident93 Ų9345.2 Ų45.257%0.57123%0.225SC*.Hα-helixtrans-61.4-42.3175.5-61.70000111.6D244 L246 S252D244-T248 WeakPolarHBondContact O-CB 3.33Å; D244-T248 PolarHBondContact O-N 3.17Å; D244-T248 PolarHBondContact O-OG1 2.91Å; L246-T248 VanDerWaalsContact C-N 3.31Å; L246-T248 PolarHBondContact O-N 3.27Å; T248-S252 VanDerWaalsContact O-CB 3.24Å; T248-S252 WeakPolarHBondContact O-CB 3.48Å; T248-S252 PolarHBondContact O-N 2.87Å; T248-S252 PolarHBondContact O-OG 2.99Å
249Q90.3Very high86.9Confident7 Ų748.2 Ų48.23%0.03325%0.245CC..Hα-helixtrans-63.7-46.5176.4-76.9172.26200112.2F239 Y240 V245 L246 F247 S252 G253 R254 H256F239-Q249 HydrophobicContact CD1-CB 3.98Å; Y240-Q249 PolarHBondContact O-NE2 3.05Å; V245-Q249 WeakPolarHBondContact O-CG 3.49Å; V245-Q249 PolarHBondContact O-N 3.17Å; V245-Q249 PolarHBondContact O-NE2 3.45Å; L246-Q249 WeakPolarHBondContact O-CB 3.38Å; L246-Q249 PolarHBondContact O-N 3.24Å; F247-Q249 VanDerWaalsContact C-N 3.35Å; F247-Q249 PolarHBondContact O-N 3.34Å; Q249-S252 PolarHBondContact O-N 3.05Å; Q249-S252 PolarHBondContact O-OG 3.1Å; Q249-S252 VanDerWaalsContact O-OG 3.11Å; Q249-G253 PolarHBondContact O-N 3.49Å; Q249-R254 PolarHBondContact O-N 3.27Å; Q249-H256 PolarHBondContact OE1-CE1 2.97Å; Q249-H256 PolarHBondContact OE1-ND1 3.1Å
250I92.3Very high86.6Confident0 Ų054.2 Ų54.20%027%0.273CS..Hα-helixtrans-63.3-50.4179.7-66.7169000110.2P203 P208 I211 W223 F239 L246 F247 S252 G253P203-I250 WeakPolarHBondContact O-CD1 3.4Å; P208-I250 HydrophobicContact CB-CG2 4.41Å; P208-I250 HydrophobicContact CG-CG2 3.9Å; I211-I250 HydrophobicContact CD1-CB 3.63Å; I211-I250 HydrophobicContact CD1-CD1 3.56Å; I211-I250 HydrophobicContact CD1-CG1 4.19Å; I211-I250 HydrophobicContact CD1-CG2 3.36Å; W223-I250 HydrophobicContact CH2-CG2 4.33Å; W223-I250 HydrophobicContact CZ2-CG2 3.7Å; F239-I250 HydrophobicContact CB-CG1 4.2Å; F239-I250 HydrophobicContact CD1-CG1 4.06Å; F239-I250 HydrophobicContact CD2-CD1 4.47Å; F239-I250 HydrophobicContact CD2-CG1 3.75Å; F239-I250 HydrophobicContact CE1-CG1 4.37Å; F239-I250 HydrophobicContact CE2-CG1 4.15Å; F239-I250 HydrophobicContact CG-CG1 3.73Å; F239-I250 HydrophobicContact CZ-CG1 4.45Å; L246-I250 HydrophobicContact CD1-CD1 3.93Å; L246-I250 HydrophobicContact CD1-CG1 4.33Å; L246-I250 HydrophobicContact CG-CD1 3.91Å; L246-I250 WeakPolarHBondContact O-CG1 3.42Å; L246-I250 PolarHBondContact O-N 2.93Å; F247-I250 PolarHBondContact O-N 3.45Å; I250-S252 VanDerWaalsContact C-N 3.26Å; I250-S252 PolarHBondContact O-N 3.43Å; I250-G253 PolarHBondContact O-N 3.34Å
251V93.2Very high86.8Confident44 Ų4454.4 Ų54.427%0.26727%0.274SS..Hα-helixtrans-63.5-31.5-177.8164.70000112.6I211 R212 F247I211-V251 HydrophobicContact CB-CG2 4.28Å; I211-V251 HydrophobicContact CG2-CG2 3.89Å; R212-V251 HydrophobicContact CG-CG2 4.17Å; R212-V251 PolarHBondContact NH2-O 3.36Å; F247-V251 VanDerWaalsContact O-CB 3.25Å; F247-V251 WeakPolarHBondContact O-CB 3.15Å; F247-V251 VanDerWaalsContact O-CG2 3.28Å; F247-V251 WeakPolarHBondContact O-CG2 3.44Å; F247-V251 PolarHBondContact O-N 3.01Å
252S93.5Very high87.5Confident71 Ų7154.6 Ų54.650%0.49727%0.273SS..Hα-helixtrans-86.9-10.4175.463.10000114T248 Q249 I250 R254T248-S252 VanDerWaalsContact O-CB 3.24Å; T248-S252 WeakPolarHBondContact O-CB 3.48Å; T248-S252 PolarHBondContact O-N 2.87Å; T248-S252 PolarHBondContact O-OG 2.99Å; Q249-S252 PolarHBondContact O-N 3.05Å; Q249-S252 PolarHBondContact O-OG 3.1Å; Q249-S252 VanDerWaalsContact O-OG 3.11Å; I250-S252 VanDerWaalsContact C-N 3.26Å; I250-S252 PolarHBondContact O-N 3.43Å; S252-R254 PolarHBondContact O-N 3.34Å; S252-R254 WeakPolarHBondContact OG-CB 3.46Å
253G92.6Very high87.9Confident18 Ų1859.6 Ų59.619%0.18630%0.3CS..THydrogen-bonded Turntrans65.520.7-17300000113.7Q249 I250 Y255 V279Q249-G253 PolarHBondContact O-N 3.49Å; I250-G253 PolarHBondContact O-N 3.34Å; G253-Y255 WeakPolarHBondContact O-CD1 3.43Å; G253-Y255 PolarHBondContact O-N 3.11Å; G253-V279 VanDerWaalsContact CA-CG2 3.4Å
254R89.8Confident88.6Confident112 Ų11258.8 Ų58.842%0.42330%0.304SS..  trans-87.499.9177.8-175.1179.3176178.4-0.4109.3Q249 S252 D385Q249-R254 PolarHBondContact O-N 3.27Å; S252-R254 PolarHBondContact O-N 3.34Å; S252-R254 WeakPolarHBondContact OG-CB 3.46Å; R254-D385 IonicContact CZ-OD2 3.74Å; R254-D385 IonicContact NH1-OD2 2.83Å; R254-D385 PolarHBondContact NH1-OD2 3.22Å; R254-D385 VanDerWaalsContact NH1-OD2 3.09Å; R254-D385 IonicContact NH2-OD2 2.68Å; R254-D385 PolarHBondContact NH2-OD2 3.38Å
255Y90Very high89.2Confident41 Ų4153 Ų5316%0.16127%0.273CS..  trans-114.5153.7175.253.3-86.2000112.9F230 P238 F239 G253 R257 L277F230-Y255 HydrophobicContact CD2-CD2 4.16Å; F230-Y255 HydrophobicContact CD2-CE2 4.39Å; F230-Y255 AromaticContact CE2-CD2 3.64Å; F230-Y255 HydrophobicContact CE2-CD2 3.64Å; F230-Y255 HydrophobicContact CE2-CE2 4.07Å; P238-Y255 HydrophobicContact CB-CD2 4.42Å; P238-Y255 HydrophobicContact CB-CG 4.22Å; P238-Y255 CarbonylContact O-C 3.4Å; P238-Y255 VanDerWaalsContact O-CA 3.22Å; P238-Y255 WeakPolarHBondContact O-CA 3.41Å; P238-Y255 WeakPolarHBondContact O-CB 3.44Å; F239-Y255 HydrophobicContact CE1-CD1 4.27Å; F239-Y255 HydrophobicContact CE1-CG 4.42Å; F239-Y255 HydrophobicContact CZ-CD1 4.38Å; G253-Y255 WeakPolarHBondContact O-CD1 3.43Å; G253-Y255 PolarHBondContact O-N 3.11Å; Y255-R257 HydrophobicContact CD2-CG 4.22Å; Y255-R257 HydrophobicContact CE2-CG 4.3Å; Y255-R257 PolarHBondContact OH-NH2 3.38Å; Y255-L277 HydrophobicContact CD1-CD1 4.35Å; Y255-L277 HydrophobicContact CD2-CD1 4.47Å; Y255-L277 HydrophobicContact CE1-CB 4.22Å; Y255-L277 HydrophobicContact CE1-CD1 4.26Å; Y255-L277 HydrophobicContact CE2-CD1 4.32Å; Y255-L277 HydrophobicContact CG-CD1 4.47Å
256H84.8Confident89.8Confident14 Ų1451.5 Ų51.57%0.06527%0.265CS..  trans-97.7121.1-169.2-6392.5000111.9F230 P238 Y240 Q249 D383 L386F230-H256 WeakPolarHBondContact CZ-O 3.35Å; P238-H256 PolarHBondContact O-N 3.16Å; Y240-H256 HydrophobicContact CD2-CB 3.94Å; Y240-H256 AromaticContact CD2-CG 3.8Å; Y240-H256 AromaticContact CD2-ND1 3.53Å; Y240-H256 HydrophobicContact CE2-CB 3.44Å; Y240-H256 VanDerWaalsContact CE2-CB 3.44Å; Y240-H256 AromaticContact CE2-CG 3.83Å; Y240-H256 AromaticContact CE2-ND1 3.99Å; Q249-H256 PolarHBondContact OE1-CE1 2.97Å; Q249-H256 PolarHBondContact OE1-ND1 3.1Å; H256-D383 IonicContact CD2-OD1 2.61Å; H256-D383 IonicContact NE2-OD1 2.77Å; H256-L386 WeakPolarHBondContact CE1-CD1 3.31Å; H256-L386 WeakPolarHBondContact NE2-CD1 3.32Å
257R87.3Confident90.2Very high99 Ų9955.7 Ų55.737%0.37429%0.291SS..  trans-108.499.6177.3-65.6-179.6-167.4-179.8-4.3110.1F230 Y255 P259 W262F230-R257 HydrophobicContact CE2-CG 4.11Å; F230-R257 HydrophobicContact CZ-CG 4.39Å; Y255-R257 HydrophobicContact CD2-CG 4.22Å; Y255-R257 HydrophobicContact CE2-CG 4.3Å; Y255-R257 PolarHBondContact OH-NH2 3.38Å; R257-P259 VanDerWaalsContact O-CD 3.26Å; R257-P259 WeakPolarHBondContact O-CD 3.42Å; R257-P259 VanDerWaalsContact O-N 3.11Å; R257-W262 VanDerWaalsContact CA-CD1 3.48Å; R257-W262 HydrophobicContact CB-CB 4.04Å; R257-W262 HydrophobicContact CB-CD2 4.21Å; R257-W262 HydrophobicContact CB-CG 3.66Å; R257-W262 HydrophobicContact CG-CD2 4.05Å; R257-W262 HydrophobicContact CG-CG 4.05Å
258Q84Confident90.4Very high16 Ų1655 Ų558%0.07529%0.288CS..  trans-52.8117.9173.6-67.1-177.6-0.500110.3Q260 V261 W262 E378 F380Q258-Q260 VanDerWaalsContact C-N 3.25Å; Q258-Q260 PolarHBondContact O-N 3.2Å; Q258-V261 HydrophobicContact CB-CG2 4.45Å; Q258-V261 PolarHBondContact O-N 3.18Å; Q258-W262 WeakPolarHBondContact O-CB 3.19Å; Q258-W262 PolarHBondContact O-N 2.66Å; Q258-E378 PolarHBondContact NE2-OE2 3.42Å; Q258-F380 HydrophobicContact CB-CE2 4.47Å; Q258-F380 HydrophobicContact CG-CE2 4.32Å
259P85.2Confident90.7Very high63 Ų6350.5 Ų50.541%0.40926%0.261SS..Hα-helixtrans-61.3-33.8-174.2-26.935.7000113.3R257 V261 N263R257-P259 VanDerWaalsContact O-CD 3.26Å; R257-P259 WeakPolarHBondContact O-CD 3.42Å; R257-P259 VanDerWaalsContact O-N 3.11Å; P259-V261 VanDerWaalsContact C-N 3.29Å; P259-V261 PolarHBondContact O-N 3.24Å; P259-N263 WeakPolarHBondContact O-CB 3.41Å; P259-N263 PolarHBondContact O-N 3.49Å; P259-N263 PolarHBondContact O-ND2 3.12Å
260Q85.4Confident91Very high127 Ų12753.9 Ų53.959%0.59327%0.274SS*.Hα-helixtrans-59.7-40.2-179.7-68.9178-16.300111.9Q258Q258-Q260 VanDerWaalsContact C-N 3.25Å; Q258-Q260 PolarHBondContact O-N 3.2Å
261V90.3Very high91.3Very high5 Ų556.7 Ų56.73%0.0329%0.289CS..Hα-helixtrans-87.7-52.5180-1700000111.3Q258 P259 N263 M264 E309 T310Q258-V261 HydrophobicContact CB-CG2 4.45Å; Q258-V261 PolarHBondContact O-N 3.18Å; P259-V261 VanDerWaalsContact C-N 3.29Å; P259-V261 PolarHBondContact O-N 3.24Å; V261-N263 VanDerWaalsContact C-N 3.29Å; V261-N263 PolarHBondContact O-N 3.01Å; V261-M264 PolarHBondContact O-N 2.76Å; V261-E309 HydrophobicContact CG2-CB 4Å; V261-T310 WeakPolarHBondContact CG1-OG1 3.39Å
262W92.9Very high91.5Very high8 Ų854.6 Ų54.63%0.0328%0.276CS..Hα-helixtrans-70.7-19-169.9-78.291.7000114.9F230 L233 R257 Q258 M264 I265 R270 V273F230-W262 HydrophobicContact CB-CZ2 4.5Å; F230-W262 AromaticContact CD1-CZ2 3.91Å; F230-W262 HydrophobicContact CD1-CZ2 3.91Å; F230-W262 AromaticContact CD2-CH2 3.67Å; F230-W262 HydrophobicContact CD2-CH2 3.67Å; F230-W262 AromaticContact CD2-CZ2 3.25Å; F230-W262 HydrophobicContact CD2-CZ2 3.25Å; F230-W262 AromaticContact CE1-CZ2 3.76Å; F230-W262 HydrophobicContact CE1-CZ2 3.76Å; F230-W262 AromaticContact CE1-NE1 3.83Å; F230-W262 AromaticContact CE2-CE2 3.52Å; F230-W262 AromaticContact CE2-CH2 3.8Å; F230-W262 HydrophobicContact CE2-CH2 3.8Å; F230-W262 AromaticContact CE2-CZ2 3.06Å; F230-W262 HydrophobicContact CE2-CZ2 3.06Å; F230-W262 AromaticContact CE2-NE1 3.83Å; F230-W262 HydrophobicContact CG-CH2 4.2Å; F230-W262 AromaticContact CG-CZ2 3.64Å; F230-W262 HydrophobicContact CG-CZ2 3.64Å; F230-W262 AromaticContact CZ-CE2 3.44Å; F230-W262 VanDerWaalsContact CZ-CE2 3.44Å; F230-W262 HydrophobicContact CZ-CH2 4.43Å; F230-W262 AromaticContact CZ-CZ2 3.31Å; F230-W262 HydrophobicContact CZ-CZ2 3.31Å; F230-W262 AromaticContact CZ-NE1 3.26Å; F230-W262 VanDerWaalsContact CZ-NE1 3.26Å; L233-W262 HydrophobicContact CB-CH2 4.3Å; L233-W262 HydrophobicContact CD1-CH2 4.22Å; L233-W262 HydrophobicContact CD1-CZ3 4.43Å; R257-W262 VanDerWaalsContact CA-CD1 3.48Å; R257-W262 HydrophobicContact CB-CB 4.04Å; R257-W262 HydrophobicContact CB-CD2 4.21Å; R257-W262 HydrophobicContact CB-CG 3.66Å; R257-W262 HydrophobicContact CG-CD2 4.05Å; R257-W262 HydrophobicContact CG-CG 4.05Å; Q258-W262 WeakPolarHBondContact O-CB 3.19Å; Q258-W262 PolarHBondContact O-N 2.66Å; W262-M264 PolarHBondContact O-N 3.3Å; W262-I265 HydrophobicContact CE3-CB 4.14Å; W262-I265 HydrophobicContact CE3-CG1 4.21Å; W262-I265 HydrophobicContact CE3-CG2 4.21Å; W262-I265 HydrophobicContact CZ3-CG2 4.1Å; W262-I265 PolarHBondContact O-N 3.06Å; W262-R270 HydrophobicContact CE3-CG 3.7Å; W262-R270 HydrophobicContact CZ3-CG 3.76Å; W262-V273 HydrophobicContact CH2-CG1 4.17Å; W262-V273 HydrophobicContact CH2-CG2 4.05Å; W262-V273 HydrophobicContact CZ3-CG2 4.45Å
263N90.9Very high91.7Very high125 Ų12551.2 Ų51.267%0.66825%0.252SS*.THydrogen-bonded Turntrans-69.2-24.6172.2-73.6-18.5000112.6P259 V261P259-N263 WeakPolarHBondContact O-CB 3.41Å; P259-N263 PolarHBondContact O-N 3.49Å; P259-N263 PolarHBondContact O-ND2 3.12Å; V261-N263 VanDerWaalsContact C-N 3.29Å; V261-N263 PolarHBondContact O-N 3.01Å
264M89.6Confident92Very high137 Ų13752.2 Ų52.268%0.67526%0.256SS*.THydrogen-bonded Turntrans-87-15.8177.6-58.4-166.7-179.400113V261 W262V261-M264 PolarHBondContact O-N 2.76Å; W262-M264 PolarHBondContact O-N 3.3Å
265I94.5Very high92.4Very high2 Ų251.3 Ų51.31%0.0125%0.253CS..SBendtrans-78134.6-178.3-56.6-57.2000110.9E115 L233 W262 A269 R270 L307E115-I265 WeakPolarHBondContact OE1-CA 3.46Å; L233-I265 HydrophobicContact CB-CD1 4.29Å; L233-I265 HydrophobicContact CD1-CG2 4.23Å; L233-I265 HydrophobicContact CD2-CD1 4.48Å; L233-I265 HydrophobicContact CD2-CG2 4.44Å; L233-I265 WeakPolarHBondContact O-CD1 3.18Å; W262-I265 HydrophobicContact CE3-CB 4.14Å; W262-I265 HydrophobicContact CE3-CG1 4.21Å; W262-I265 HydrophobicContact CE3-CG2 4.21Å; W262-I265 HydrophobicContact CZ3-CG2 4.1Å; W262-I265 PolarHBondContact O-N 3.06Å; I265-A269 HydrophobicContact CG2-CB 3.57Å; I265-R270 HydrophobicContact CB-CG 4.49Å; I265-R270 HydrophobicContact CG2-CG 4.1Å; I265-R270 VanDerWaalsContact O-CZ 3.32Å; I265-R270 PolarHBondContact O-NE 2.8Å; I265-R270 PolarHBondContact O-NH2 3.16Å; I265-L307 HydrophobicContact CD1-CD1 4.28Å; I265-L307 HydrophobicContact CD1-CD2 3.9Å
266S94.1Very high92.8Very high23 Ų2349.3 Ų49.316%0.16125%0.245CC..  trans-57.3154.9-179.172.90000112.7E115 E268 A269 R270E115-S266 WeakPolarHBondContact OE1-CB 3.46Å; E115-S266 PolarHBondContact OE1-N 3.42Å; E115-S266 VanDerWaalsContact OE2-CB 3.27Å; E115-S266 WeakPolarHBondContact OE2-CB 3.26Å; E115-S266 PolarHBondContact OE2-OG 3.21Å; S266-E268 PolarHBondContact O-N 2.71Å; S266-A269 PolarHBondContact O-N 2.76Å; S266-A269 VanDerWaalsContact OG-CB 3.28Å; S266-A269 WeakPolarHBondContact OG-CB 3.21Å; S266-A269 PolarHBondContact OG-N 3.5Å; S266-A269 VanDerWaalsContact OG-N 3.12Å; S266-R270 WeakPolarHBondContact O-CG 3.34Å; S266-R270 PolarHBondContact O-N 3.29Å; S266-R270 VanDerWaalsContact O-N 3.13Å; S266-R270 PolarHBondContact O-NE 2.86Å
267T94.7Very high93.4Very high90 Ų9048.9 Ų48.955%0.55224%0.243SC*.Hα-helixtrans-62.4-35.4176.5370000112R270 D271T267-R270 PolarHBondContact O-N 3.01Å; T267-D271 VanDerWaalsContact O-CB 3.27Å; T267-D271 WeakPolarHBondContact O-CB 3.35Å; T267-D271 PolarHBondContact O-N 3.12Å
268E94.1Very high93.9Very high59 Ų5947.9 Ų47.928%0.27624%0.243SC..Hα-helixtrans-72.8-38.1-178.7-67.788.7149.600112.2S266 L272 H293 W295S266-E268 PolarHBondContact O-N 2.71Å; E268-L272 PolarHBondContact O-N 3.25Å; E268-L272 VanDerWaalsContact O-N 3.08Å; E268-H293 PolarHBondContact O-CE1 2.87Å; E268-W295 HydrophobicContact CB-CB 4.09Å; E268-W295 HydrophobicContact CB-CG 4.34Å
269A96.1Very high94.6Very high0 Ų048.4 Ų48.40%025%0.247CC..Hα-helixtrans-63.2-47.1171.600000110.9L233 I265 S266 D271 L272 V273 W295L233-A269 HydrophobicContact CD1-CB 3.87Å; L233-A269 HydrophobicContact CD2-CB 4.29Å; I265-A269 HydrophobicContact CG2-CB 3.57Å; S266-A269 PolarHBondContact O-N 2.76Å; S266-A269 VanDerWaalsContact OG-CB 3.28Å; S266-A269 WeakPolarHBondContact OG-CB 3.21Å; S266-A269 PolarHBondContact OG-N 3.5Å; S266-A269 VanDerWaalsContact OG-N 3.12Å; A269-D271 VanDerWaalsContact C-N 3.32Å; A269-D271 PolarHBondContact O-N 3.26Å; A269-L272 PolarHBondContact O-N 2.85Å; A269-V273 WeakPolarHBondContact O-CG2 3.48Å; A269-V273 PolarHBondContact O-N 2.83Å; A269-W295 HydrophobicContact CB-CD2 4.31Å; A269-W295 HydrophobicContact CB-CG 4.49Å; A269-W295 HydrophobicContact CB-CZ2 4.02Å
270R96.7Very high95.2Very high78 Ų7848.5 Ų48.529%0.29424%0.244SC..Hα-helixtrans-59.7-41.1176.8-78.6-179.1-78.2165.4-12.2112.7W262 I265 S266 T267 V273 S274W262-R270 HydrophobicContact CE3-CG 3.7Å; W262-R270 HydrophobicContact CZ3-CG 3.76Å; I265-R270 HydrophobicContact CB-CG 4.49Å; I265-R270 HydrophobicContact CG2-CG 4.1Å; I265-R270 VanDerWaalsContact O-CZ 3.32Å; I265-R270 PolarHBondContact O-NE 2.8Å; I265-R270 PolarHBondContact O-NH2 3.16Å; S266-R270 WeakPolarHBondContact O-CG 3.34Å; S266-R270 PolarHBondContact O-N 3.29Å; S266-R270 VanDerWaalsContact O-N 3.13Å; S266-R270 PolarHBondContact O-NE 2.86Å; T267-R270 PolarHBondContact O-N 3.01Å; R270-V273 PolarHBondContact O-N 2.81Å; R270-S274 PolarHBondContact O-N 3.05Å; R270-S274 PolarHBondContact O-OG 2.92Å
271D97.4Very high95.7Very high59 Ų5944.4 Ų44.432%0.31623%0.228SC..Hα-helixtrans-62.6-47.7176.8174.341.2000111.5T267 A269 V273 S274 R275 H293T267-D271 VanDerWaalsContact O-CB 3.27Å; T267-D271 WeakPolarHBondContact O-CB 3.35Å; T267-D271 PolarHBondContact O-N 3.12Å; A269-D271 VanDerWaalsContact C-N 3.32Å; A269-D271 PolarHBondContact O-N 3.26Å; D271-V273 PolarHBondContact O-N 3.12Å; D271-S274 WeakPolarHBondContact CA-OG 2.82Å; D271-S274 PolarHBondContact O-N 2.79Å; D271-S274 PolarHBondContact O-OG 2.61Å; D271-R275 WeakPolarHBondContact O-CG 3.42Å; D271-R275 PolarHBondContact O-N 2.94Å; D271-R275 IonicContact OD1-CZ 3.3Å; D271-R275 IonicContact OD1-NE 3.68Å; D271-R275 PolarHBondContact OD1-NE 3.15Å; D271-R275 IonicContact OD1-NH2 3.2Å; D271-R275 PolarHBondContact OD1-NH2 3.31Å; D271-R275 IonicContact OD2-CZ 2.71Å; D271-R275 IonicContact OD2-NE 3.71Å; D271-R275 IonicContact OD2-NH2 2.71Å; D271-R275 PolarHBondContact OD2-NH2 2.89Å; D271-H293 IonicContact OD2-CE1 3.54Å; D271-H293 IonicContact OD2-NE2 3.69Å; D271-H293 PolarHBondContact OD2-NE2 2.92Å; D271-H293 VanDerWaalsContact OD2-NE2 3.13Å
272L98.1Very high96Very high0 Ų049.3 Ų49.30%026%0.258CS..Hα-helixtrans-59.3-46.2175.8-179.156.5000112.2L122 L229 E268 A269 S274 R275 L276 L285 A290 H293 W295 I296L122-L272 HydrophobicContact CD2-CD2 4.06Å; L229-L272 HydrophobicContact CD2-CB 4.17Å; L229-L272 HydrophobicContact CD2-CD2 3.69Å; L229-L272 HydrophobicContact CD2-CG 3.69Å; E268-L272 PolarHBondContact O-N 3.25Å; E268-L272 VanDerWaalsContact O-N 3.08Å; A269-L272 PolarHBondContact O-N 2.85Å; L272-S274 VanDerWaalsContact C-N 3.33Å; L272-S274 PolarHBondContact O-N 2.77Å; L272-R275 PolarHBondContact O-N 2.82Å; L272-L276 HydrophobicContact CD1-CD1 3.88Å; L272-L276 HydrophobicContact CD1-CG 4.07Å; L272-L276 HydrophobicContact CG-CD1 3.92Å; L272-L276 WeakPolarHBondContact O-CG 3.45Å; L272-L276 PolarHBondContact O-N 3.01Å; L272-L285 HydrophobicContact CD1-CD2 3.66Å; L272-A290 HydrophobicContact CD1-CB 4.36Å; L272-H293 HydrophobicContact CD1-CB 3.97Å; L272-W295 HydrophobicContact CD2-CE3 3.64Å; L272-W295 HydrophobicContact CD2-CZ3 4.19Å; L272-I296 HydrophobicContact CD2-CD1 3.96Å; L272-I296 HydrophobicContact CD2-CG1 3.65Å
273V98.2Very high96.2Very high0 Ų055.4 Ų55.40%029%0.287CS..Hα-helixtrans-56.5-49175.8170.50000110.5L229 F230 L233 W262 A269 R270 D271 R275 L276 L277L229-V273 HydrophobicContact CB-CG2 4.34Å; L229-V273 HydrophobicContact CD2-CG2 3.48Å; L229-V273 VanDerWaalsContact CD2-CG2 3.48Å; L229-V273 HydrophobicContact CG-CG2 3.61Å; F230-V273 HydrophobicContact CB-CG1 4.47Å; F230-V273 HydrophobicContact CD2-CG1 3.88Å; L233-V273 HydrophobicContact CD1-CG2 3.7Å; W262-V273 HydrophobicContact CH2-CG1 4.17Å; W262-V273 HydrophobicContact CH2-CG2 4.05Å; W262-V273 HydrophobicContact CZ3-CG2 4.45Å; A269-V273 WeakPolarHBondContact O-CG2 3.48Å; A269-V273 PolarHBondContact O-N 2.83Å; R270-V273 PolarHBondContact O-N 2.81Å; D271-V273 PolarHBondContact O-N 3.12Å; V273-R275 VanDerWaalsContact C-N 3.3Å; V273-R275 PolarHBondContact O-N 3.35Å; V273-L276 PolarHBondContact O-N 3.45Å; V273-L277 HydrophobicContact CG1-CD1 3.83Å; V273-L277 HydrophobicContact CG1-CG 4.44Å; V273-L277 WeakPolarHBondContact O-CB 3.49Å; V273-L277 WeakPolarHBondContact O-CG 3.43Å; V273-L277 PolarHBondContact O-N 2.77Å
274S97.7Very high96.5Very high38 Ų3849.9 Ų49.927%0.26626%0.257SS..Hα-helixtrans-63.2-34.6-178.659.60000113.6R270 D271 L272 L277 E278R270-S274 PolarHBondContact O-N 3.05Å; R270-S274 PolarHBondContact O-OG 2.92Å; D271-S274 WeakPolarHBondContact CA-OG 2.82Å; D271-S274 PolarHBondContact O-N 2.79Å; D271-S274 PolarHBondContact O-OG 2.61Å; L272-S274 VanDerWaalsContact C-N 3.33Å; L272-S274 PolarHBondContact O-N 2.77Å; S274-L277 CarbonylContact O-C 3.53Å; S274-E278 PolarHBondContact O-N 3.46Å
275R98.3Very high96.9Very high93 Ų9344.1 Ų44.135%0.35123%0.229SC..Hα-helixtrans-79.4-26.7179.6-69-162.8-100.9154.9-9.2113.6D271 L272 V273 L285 H293D271-R275 WeakPolarHBondContact O-CG 3.42Å; D271-R275 PolarHBondContact O-N 2.94Å; D271-R275 IonicContact OD1-CZ 3.3Å; D271-R275 IonicContact OD1-NE 3.68Å; D271-R275 PolarHBondContact OD1-NE 3.15Å; D271-R275 IonicContact OD1-NH2 3.2Å; D271-R275 PolarHBondContact OD1-NH2 3.31Å; D271-R275 IonicContact OD2-CZ 2.71Å; D271-R275 IonicContact OD2-NE 3.71Å; D271-R275 IonicContact OD2-NH2 2.71Å; D271-R275 PolarHBondContact OD2-NH2 2.89Å; L272-R275 PolarHBondContact O-N 2.82Å; V273-R275 VanDerWaalsContact C-N 3.3Å; V273-R275 PolarHBondContact O-N 3.35Å; R275-L285 HydrophobicContact CB-CB 4.05Å; R275-L285 HydrophobicContact CB-CD2 4.2Å; R275-L285 WeakPolarHBondContact O-CB 3.32Å; R275-L285 PolarHBondContact O-N 3.34Å; R275-H293 PolarHBondContact NH2-CD2 2.71Å; R275-H293 VanDerWaalsContact NH2-CD2 3.27Å; R275-H293 PolarHBondContact NH2-NE2 2.96Å
276L98.5Very high97.1Very high0 Ų047.3 Ų47.30%025%0.249CC..Hα-helixtrans-78-34.4170.8-71.5170.4000112A222 L229 L272 V273 E278 R284 L285 A290A222-L276 HydrophobicContact CB-CD2 4.23Å; L229-L276 HydrophobicContact CD2-CD1 4.21Å; L272-L276 HydrophobicContact CD1-CD1 3.88Å; L272-L276 HydrophobicContact CD1-CG 4.07Å; L272-L276 HydrophobicContact CG-CD1 3.92Å; L272-L276 WeakPolarHBondContact O-CG 3.45Å; L272-L276 PolarHBondContact O-N 3.01Å; V273-L276 PolarHBondContact O-N 3.45Å; L276-E278 VanDerWaalsContact C-N 3.26Å; L276-E278 PolarHBondContact O-N 3.07Å; L276-R284 VanDerWaalsContact O-CD 3.3Å; L276-R284 WeakPolarHBondContact O-CD 3.44Å; L276-R284 WeakPolarHBondContact O-CG 3.4Å; L276-L285 HydrophobicContact CD2-CB 4.33Å; L276-L285 HydrophobicContact CD2-CD2 4.48Å; L276-A290 HydrophobicContact CD2-CB 4.09Å
277L98.1Very high97.3Very high5 Ų546.4 Ų46.43%0.02624%0.242CC..SBendtrans-91.630.1175.5-62.7-178.1000112.8W223 V227 F230 P238 Y255 V273 S274W223-L277 HydrophobicContact CD2-CD2 3.95Å; W223-L277 HydrophobicContact CE3-CD2 4.04Å; W223-L277 HydrophobicContact CH2-CD2 4.41Å; W223-L277 HydrophobicContact CZ2-CD2 4.29Å; W223-L277 HydrophobicContact CZ3-CB 4.26Å; W223-L277 HydrophobicContact CZ3-CD2 4.27Å; V227-L277 HydrophobicContact CG2-CD2 3.8Å; F230-L277 HydrophobicContact CD2-CD1 4.31Å; P238-L277 HydrophobicContact CB-CD1 4.32Å; P238-L277 HydrophobicContact CG-CD1 4.47Å; Y255-L277 HydrophobicContact CD1-CD1 4.35Å; Y255-L277 HydrophobicContact CD2-CD1 4.47Å; Y255-L277 HydrophobicContact CE1-CB 4.22Å; Y255-L277 HydrophobicContact CE1-CD1 4.26Å; Y255-L277 HydrophobicContact CE2-CD1 4.32Å; Y255-L277 HydrophobicContact CG-CD1 4.47Å; V273-L277 HydrophobicContact CG1-CD1 3.83Å; V273-L277 HydrophobicContact CG1-CG 4.44Å; V273-L277 WeakPolarHBondContact O-CB 3.49Å; V273-L277 WeakPolarHBondContact O-CG 3.43Å; V273-L277 PolarHBondContact O-N 2.77Å; S274-L277 CarbonylContact O-C 3.53Å
278E98.1Very high97.5Very high77 Ų7746.2 Ų46.236%0.3624%0.235SC..  trans-73.6131.7171.1179.152.2-112.500109.5S274 L276 D280 Q283 R284S274-E278 PolarHBondContact O-N 3.46Å; L276-E278 VanDerWaalsContact C-N 3.26Å; L276-E278 PolarHBondContact O-N 3.07Å; E278-D280 PolarHBondContact OE1-N 2.91Å; E278-Q283 HydrophobicContact CG-CB 3.81Å; E278-R284 HydrophobicContact CB-CB 4.03Å; E278-R284 HydrophobicContact CB-CG 4.2Å; E278-R284 HydrophobicContact CG-CB 4.47Å; E278-R284 PolarHBondContact O-NE 3.34Å; E278-R284 PolarHBondContact O-NH2 3.43Å
279V97.6Very high97.7Very high28 Ų2847.8 Ų47.817%0.1724%0.242CC..SBendtrans-71.2-43.6-172.2174.60000110.4P208 G253 P281 R284P208-V279 HydrophobicContact CB-CG1 4.19Å; P208-V279 HydrophobicContact CG-CG1 4.19Å; G253-V279 VanDerWaalsContact CA-CG2 3.4Å; V279-P281 VanDerWaalsContact O-CD 3.28Å; V279-P281 WeakPolarHBondContact O-CD 3.43Å; V279-R284 PolarHBondContact O-NH2 2.79Å
280D97.2Very high97.8Very high64 Ų6447.8 Ų47.834%0.34224%0.242SC..SBendtrans-72.7112.8176.9-178.2-13.7000109.9E278 T282 Q283 R284E278-D280 PolarHBondContact OE1-N 2.91Å; D280-T282 PolarHBondContact O-N 2.92Å; D280-T282 VanDerWaalsContact O-N 3.07Å; D280-T282 WeakPolarHBondContact OD1-CB 3.28Å; D280-T282 PolarHBondContact OD1-N 2.82Å; D280-T282 PolarHBondContact OD1-OG1 2.84Å; D280-T282 PolarHBondContact OD2-OG1 3.44Å; D280-Q283 HydrophobicContact CB-CB 4.19Å; D280-Q283 HydrophobicContact CB-CG 4.12Å; D280-Q283 PolarHBondContact O-N 2.87Å; D280-R284 PolarHBondContact O-N 3.49Å
281P96.4Very high97.8Very high41 Ų4145.7 Ų45.727%0.26624%0.237SC..THydrogen-bonded Turntrans-62.6-18.7-178.427.1-35.4000113.4A219 V279A219-P281 HydrophobicContact CB-CB 3.82Å; V279-P281 VanDerWaalsContact O-CD 3.28Å; V279-P281 WeakPolarHBondContact O-CD 3.43Å
282T96Very high97.8Very high108 Ų10850.3 Ų50.366%0.66325%0.25SC*.THydrogen-bonded Turntrans-81.8-24.2176.173.20000113.4D280D280-T282 PolarHBondContact O-N 2.92Å; D280-T282 VanDerWaalsContact O-N 3.07Å; D280-T282 WeakPolarHBondContact OD1-CB 3.28Å; D280-T282 PolarHBondContact OD1-N 2.82Å; D280-T282 PolarHBondContact OD1-OG1 2.84Å; D280-T282 PolarHBondContact OD2-OG1 3.44Å
283Q97.6Very high97.8Very high137 Ų13750.6 Ų50.664%0.6425%0.251SS*.THydrogen-bonded Turntrans-96-15.8174.1-59-53.6-57.700112.3E278 D280E278-Q283 HydrophobicContact CG-CB 3.81Å; D280-Q283 HydrophobicContact CB-CB 4.19Å; D280-Q283 HydrophobicContact CB-CG 4.12Å; D280-Q283 PolarHBondContact O-N 2.87Å
284R98.4Very high97.7Very high8 Ų852.4 Ų52.43%0.0326%0.263CS..SBendtrans-62.8136.1178.6-166.7-176.3-59.4148.18111.7E209 A219 L276 E278 V279 D280 T286E209-R284 IonicContact OE1-CZ 3.4Å; E209-R284 IonicContact OE1-NH1 3.1Å; E209-R284 PolarHBondContact OE1-NH1 2.98Å; E209-R284 IonicContact OE1-NH2 3.12Å; E209-R284 IonicContact OE2-CZ 3.4Å; E209-R284 IonicContact OE2-NH1 3.99Å; E209-R284 PolarHBondContact OE2-NH1 3.49Å; E209-R284 IonicContact OE2-NH2 2.8Å; E209-R284 PolarHBondContact OE2-NH2 3.15Å; A219-R284 VanDerWaalsContact C-NH1 3.32Å; A219-R284 WeakPolarHBondContact O-CD 3.4Å; A219-R284 PolarHBondContact O-NH1 3.3Å; L276-R284 VanDerWaalsContact O-CD 3.3Å; L276-R284 WeakPolarHBondContact O-CD 3.44Å; L276-R284 WeakPolarHBondContact O-CG 3.4Å; E278-R284 HydrophobicContact CB-CB 4.03Å; E278-R284 HydrophobicContact CB-CG 4.2Å; E278-R284 HydrophobicContact CG-CB 4.47Å; E278-R284 PolarHBondContact O-NE 3.34Å; E278-R284 PolarHBondContact O-NH2 3.43Å; V279-R284 PolarHBondContact O-NH2 2.79Å; D280-R284 PolarHBondContact O-N 3.49Å; R284-T286 PolarHBondContact O-N 3.11Å
285L97.9Very high97.6Very high16 Ų1650.6 Ų50.68%0.08425%0.25CS..PPolyproline II helixtrans-58.8125.2179.3-16369.9000110.3A222 L272 R275 L276 E289 A290A222-L285 WeakPolarHBondContact CB-O 3.37Å; L272-L285 HydrophobicContact CD1-CD2 3.66Å; R275-L285 HydrophobicContact CB-CB 4.05Å; R275-L285 HydrophobicContact CB-CD2 4.2Å; R275-L285 WeakPolarHBondContact O-CB 3.32Å; R275-L285 PolarHBondContact O-N 3.34Å; L276-L285 HydrophobicContact CD2-CB 4.33Å; L276-L285 HydrophobicContact CD2-CD2 4.48Å; L285-E289 HydrophobicContact CD1-CB 3.53Å; L285-E289 HydrophobicContact CG-CB 3.89Å; L285-A290 HydrophobicContact CD2-CB 3.83Å; L285-A290 HydrophobicContact CG-CB 4.33Å
286T98.2Very high97.4Very high69 Ų6946.5 Ų46.542%0.42324%0.235SC..PPolyproline II helixtrans-70.4158173.664.80000110.6R284 E288 E289 A290R284-T286 PolarHBondContact O-N 3.11Å; T286-E288 PolarHBondContact O-N 3.4Å; T286-E289 WeakPolarHBondContact CB-OE2 3.37Å; T286-E289 PolarHBondContact N-OE2 2.93Å; T286-E289 PolarHBondContact O-N 3.21Å; T286-E289 VanDerWaalsContact O-N 3.13Å; T286-E289 WeakPolarHBondContact OG1-CB 3.38Å; T286-E289 WeakPolarHBondContact OG1-CG 3.35Å; T286-E289 PolarHBondContact OG1-N 2.99Å; T286-E289 PolarHBondContact OG1-OE2 2.76Å; T286-A290 WeakPolarHBondContact O-CB 3.35Å; T286-A290 PolarHBondContact O-N 3.42Å
287I98.4Very high97.1Very high4 Ų449.5 Ų49.52%0.02126%0.256CS..Hα-helixtrans-59.7-38.2178.4-59.7-66.3000111.6L126 I129 H130 A222 C225 E289 A290 L291L126-I287 HydrophobicContact CB-CG2 4.26Å; L126-I287 HydrophobicContact CD2-CD1 3.74Å; L126-I287 HydrophobicContact CD2-CG2 4.1Å; L126-I287 VanDerWaalsContact O-CG2 3.26Å; L126-I287 WeakPolarHBondContact O-CG2 3.31Å; I129-I287 HydrophobicContact CB-CG2 4.42Å; I129-I287 HydrophobicContact CG2-CD1 3.9Å; I129-I287 HydrophobicContact CG2-CG1 3.77Å; I129-I287 HydrophobicContact CG2-CG2 4.33Å; H130-I287 HydrophobicContact CB-CG2 3.81Å; A222-I287 HydrophobicContact CB-CD1 3.85Å; A222-I287 HydrophobicContact CB-CG1 4.35Å; C225-I287 HydrophobicContact CB-CD1 4.49Å; I287-E289 VanDerWaalsContact C-N 3.35Å; I287-E289 PolarHBondContact O-N 3.26Å; I287-A290 WeakPolarHBondContact O-CB 3.46Å; I287-A290 PolarHBondContact O-N 2.65Å; I287-L291 WeakPolarHBondContact O-CG 3.38Å; I287-L291 PolarHBondContact O-N 2.58Å
288E97.9Very high96.6Very high86 Ų8653.2 Ų53.240%0.40227%0.273SS..Hα-helixtrans-63-40.4176.7-168.7-171.9148.300111.9T286 R292T286-E288 PolarHBondContact O-N 3.4Å; E288-R292 PolarHBondContact O-N 3.24Å; E288-R292 IonicContact OE1-CZ 3.4Å; E288-R292 IonicContact OE1-NH1 3.9Å; E288-R292 PolarHBondContact OE1-NH1 2.96Å; E288-R292 IonicContact OE1-NH2 2.7Å; E288-R292 PolarHBondContact OE1-NH2 3.08Å
289E98.2Very high95.4Very high92 Ų9255.9 Ų55.943%0.4328%0.284SS..Hα-helixtrans-72.5-35.7175-68.1164.9144.500112.1L285 T286 I287 L291 R292 H293L285-E289 HydrophobicContact CD1-CB 3.53Å; L285-E289 HydrophobicContact CG-CB 3.89Å; T286-E289 WeakPolarHBondContact CB-OE2 3.37Å; T286-E289 PolarHBondContact N-OE2 2.93Å; T286-E289 PolarHBondContact O-N 3.21Å; T286-E289 VanDerWaalsContact O-N 3.13Å; T286-E289 WeakPolarHBondContact OG1-CB 3.38Å; T286-E289 WeakPolarHBondContact OG1-CG 3.35Å; T286-E289 PolarHBondContact OG1-N 2.99Å; T286-E289 PolarHBondContact OG1-OE2 2.76Å; I287-E289 VanDerWaalsContact C-N 3.35Å; I287-E289 PolarHBondContact O-N 3.26Å; E289-L291 VanDerWaalsContact C-N 3.33Å; E289-L291 PolarHBondContact O-N 2.78Å; E289-R292 CarbonylContact O-C 3.59Å; E289-R292 WeakPolarHBondContact O-CA 3.35Å; E289-R292 WeakPolarHBondContact O-CB 3.47Å; E289-R292 PolarHBondContact O-N 2.8Å; E289-H293 PolarHBondContact O-N 3.48Å; E289-H293 VanDerWaalsContact O-N 3.08Å
290A98.3Very high94.3Very high0 Ų059.3 Ų59.30%032%0.315CS..Hα-helixtrans-60.8-40.7174.500000111.8L126 L272 L276 L285 T286 I287 R292 H293L126-A290 HydrophobicContact CD1-CB 3.95Å; L126-A290 HydrophobicContact CD2-CB 4.12Å; L272-A290 HydrophobicContact CD1-CB 4.36Å; L276-A290 HydrophobicContact CD2-CB 4.09Å; L285-A290 HydrophobicContact CD2-CB 3.83Å; L285-A290 HydrophobicContact CG-CB 4.33Å; T286-A290 WeakPolarHBondContact O-CB 3.35Å; T286-A290 PolarHBondContact O-N 3.42Å; I287-A290 WeakPolarHBondContact O-CB 3.46Å; I287-A290 PolarHBondContact O-N 2.65Å; A290-R292 PolarHBondContact O-N 3.12Å; A290-H293 WeakPolarHBondContact O-CB 3.47Å; A290-H293 PolarHBondContact O-N 2.93Å
291L98Very high93.4Very high34 Ų3462 Ų6218%0.17832%0.32CS..Hα-helixtrans-61.4-29.7173-75169.9000113R123 L126 E127 H130 I287 E289R123-L291 HydrophobicContact CG-CD2 4.25Å; L126-L291 HydrophobicContact CB-CD2 3.53Å; L126-L291 HydrophobicContact CB-CG 3.91Å; L126-L291 HydrophobicContact CD1-CD2 4.32Å; E127-L291 HydrophobicContact CG-CD1 4.49Å; E127-L291 HydrophobicContact CG-CD2 3.83Å; H130-L291 HydrophobicContact CB-CD1 3.91Å; I287-L291 WeakPolarHBondContact O-CG 3.38Å; I287-L291 PolarHBondContact O-N 2.58Å; E289-L291 VanDerWaalsContact C-N 3.33Å; E289-L291 PolarHBondContact O-N 2.78Å
292R97.6Very high92.5Very high157 Ų15760.3 Ų60.359%0.59231%0.31SS*.THydrogen-bonded Turntrans-86.4-6.1176.2-64.7175.2-176.2134.24.4113.4E288 E289 A290 S297E288-R292 PolarHBondContact O-N 3.24Å; E288-R292 IonicContact OE1-CZ 3.4Å; E288-R292 IonicContact OE1-NH1 3.9Å; E288-R292 PolarHBondContact OE1-NH1 2.96Å; E288-R292 IonicContact OE1-NH2 2.7Å; E288-R292 PolarHBondContact OE1-NH2 3.08Å; E289-R292 CarbonylContact O-C 3.59Å; E289-R292 WeakPolarHBondContact O-CA 3.35Å; E289-R292 WeakPolarHBondContact O-CB 3.47Å; E289-R292 PolarHBondContact O-N 2.8Å; A290-R292 PolarHBondContact O-N 3.12Å; R292-S297 PolarHBondContact O-OG 2.95Å
293H97.6Very high91.8Very high5 Ų556.9 Ų56.92%0.02329%0.291CS..SBendtrans-58.8139.3-179.7-167.4-96.3000111E268 D271 L272 R275 E289 A290 W295 I296 S297E268-H293 PolarHBondContact O-CE1 2.87Å; D271-H293 IonicContact OD2-CE1 3.54Å; D271-H293 IonicContact OD2-NE2 3.69Å; D271-H293 PolarHBondContact OD2-NE2 2.92Å; D271-H293 VanDerWaalsContact OD2-NE2 3.13Å; L272-H293 HydrophobicContact CD1-CB 3.97Å; R275-H293 PolarHBondContact NH2-CD2 2.71Å; R275-H293 VanDerWaalsContact NH2-CD2 3.27Å; R275-H293 PolarHBondContact NH2-NE2 2.96Å; E289-H293 PolarHBondContact O-N 3.48Å; E289-H293 VanDerWaalsContact O-N 3.08Å; A290-H293 WeakPolarHBondContact O-CB 3.47Å; A290-H293 PolarHBondContact O-N 2.93Å; H293-W295 WeakPolarHBondContact ND1-CB 3.26Å; H293-W295 PolarHBondContact ND1-N 3.13Å; H293-W295 PolarHBondContact O-N 3.19Å; H293-W295 VanDerWaalsContact O-N 3.17Å; H293-I296 HydrophobicContact CB-CG1 4.44Å; H293-I296 PolarHBondContact O-N 3.27Å; H293-S297 WeakPolarHBondContact O-CB 3.41Å; H293-S297 PolarHBondContact O-N 2.96Å; H293-S297 PolarHBondContact O-OG 3.5Å
294P94.9Very high91.2Very high39 Ų3956 Ų5625%0.25329%0.285SS..Hα-helixtrans-56.8-34-177.8-28.335.8000114.5I296 Q298P294-I296 VanDerWaalsContact C-N 3.29Å; P294-I296 PolarHBondContact O-N 3.12Å; P294-Q298 VanDerWaalsContact O-CB 3.26Å; P294-Q298 WeakPolarHBondContact O-CB 3.46Å; P294-Q298 PolarHBondContact O-N 2.91Å; P294-Q298 VanDerWaalsContact O-N 3.07Å
295W96.1Very high90.5Very high0 Ų059.4 Ų59.40%031%0.306CS..Hα-helixtrans-68.3-26.4177.9-167.881.4000113.5E115 A118 S119 L122 L229 L233 E268 A269 L272 H293E115-W295 HydrophobicContact CB-CZ2 3.86Å; E115-W295 HydrophobicContact CG-CZ2 4.29Å; E115-W295 WeakPolarHBondContact O-CZ2 3.28Å; E115-W295 PolarHBondContact OE2-NE1 3.36Å; A118-W295 HydrophobicContact CB-CH2 4.14Å; S119-W295 VanDerWaalsContact CA-CH2 3.48Å; S119-W295 VanDerWaalsContact CA-CZ3 3.42Å; S119-W295 PolarHBondContact OG-O 3.4Å; L122-W295 HydrophobicContact CD2-CZ3 4.28Å; L229-W295 HydrophobicContact CD1-CH2 3.62Å; L229-W295 HydrophobicContact CD1-CZ3 3.63Å; L229-W295 HydrophobicContact CD2-CZ3 4.44Å; L233-W295 HydrophobicContact CD2-CH2 4.04Å; L233-W295 HydrophobicContact CD2-CZ2 3.82Å; E268-W295 HydrophobicContact CB-CB 4.09Å; E268-W295 HydrophobicContact CB-CG 4.34Å; A269-W295 HydrophobicContact CB-CD2 4.31Å; A269-W295 HydrophobicContact CB-CG 4.49Å; A269-W295 HydrophobicContact CB-CZ2 4.02Å; L272-W295 HydrophobicContact CD2-CE3 3.64Å; L272-W295 HydrophobicContact CD2-CZ3 4.19Å; H293-W295 WeakPolarHBondContact ND1-CB 3.26Å; H293-W295 PolarHBondContact ND1-N 3.13Å; H293-W295 PolarHBondContact O-N 3.19Å; H293-W295 VanDerWaalsContact O-N 3.17Å
296I95.2Very high90.1Very high6 Ų661.2 Ų61.23%0.03131%0.314CS..Hα-helixtrans-92.4-52.4177.7-63.7-65.3000111L122 R123 L126 L272 H293 P294 Q298L122-I296 HydrophobicContact CB-CD1 4.25Å; L122-I296 HydrophobicContact CD2-CD1 3.92Å; L122-I296 HydrophobicContact CG-CD1 4.16Å; R123-I296 HydrophobicContact CB-CG2 3.91Å; R123-I296 HydrophobicContact CG-CG2 3.81Å; L126-I296 HydrophobicContact CD1-CD1 4.25Å; L126-I296 HydrophobicContact CD1-CG1 4.25Å; L272-I296 HydrophobicContact CD2-CD1 3.96Å; L272-I296 HydrophobicContact CD2-CG1 3.65Å; H293-I296 HydrophobicContact CB-CG1 4.44Å; H293-I296 PolarHBondContact O-N 3.27Å; P294-I296 VanDerWaalsContact C-N 3.29Å; P294-I296 PolarHBondContact O-N 3.12Å; I296-Q298 PolarHBondContact O-N 2.92Å
297S90.9Very high89.8Confident63 Ų6358.5 Ų58.544%0.44130%0.297SS..Hα-helixtrans-73.8-23.3-173.460.30000113.9R292 H293R292-S297 PolarHBondContact O-OG 2.95Å; H293-S297 WeakPolarHBondContact O-CB 3.41Å; H293-S297 PolarHBondContact O-N 2.96Å; H293-S297 PolarHBondContact O-OG 3.5Å
298Q87.5Confident89.4Confident84 Ų8463.7 Ų63.739%0.39332%0.321SS..  trans-118.185.3-175.7-52177.824.800110.9P294 I296 A300 R301P294-Q298 VanDerWaalsContact O-CB 3.26Å; P294-Q298 WeakPolarHBondContact O-CB 3.46Å; P294-Q298 PolarHBondContact O-N 2.91Å; P294-Q298 VanDerWaalsContact O-N 3.07Å; I296-Q298 PolarHBondContact O-N 2.92Å; Q298-A300 PolarHBondContact O-N 3.46Å; Q298-R301 HydrophobicContact CB-CG 4.11Å; Q298-R301 WeakPolarHBondContact O-CB 3.38Å; Q298-R301 PolarHBondContact O-N 3.21Å; Q298-R301 VanDerWaalsContact OE1-NH2 3.14Å
299K74.1Confident89Confident132 Ų13263.7 Ų63.757%0.57432%0.321SS*.G310 helixtrans-45.2-35.8-177.9-63.5-178.1-172.9169.60114.8R301 A302 D707K299-R301 PolarHBondContact O-N 3.36Å; K299-A302 PolarHBondContact O-N 3.17Å; K299-D707 IonicContact NZ-OD1 3.88Å; K299-D707 PolarHBondContact NZ-OD1 2.93Å
300A73.1Confident88.8Confident100 Ų10059.4 Ų59.483%0.82630%0.301SS*.G310 helixtrans-69.3-11.8-17800000114.6Q298Q298-A300 PolarHBondContact O-N 3.46Å
301R78.6Confident88.6Confident120 Ų12059.6 Ų59.645%0.45330%0.302SS..G310 helixtrans-91.2-22.7179.9-67-165.7179.8-1642.9113.9Q298 K299Q298-R301 HydrophobicContact CB-CG 4.11Å; Q298-R301 WeakPolarHBondContact O-CB 3.38Å; Q298-R301 PolarHBondContact O-N 3.21Å; Q298-R301 VanDerWaalsContact OE1-NH2 3.14Å; K299-R301 PolarHBondContact O-N 3.36Å
302A77.8Confident88.2Confident6 Ų660.5 Ų60.55%0.0531%0.305CS..SBendtrans-76.8131178.200000109.6E115 A116 K299E115-A302 HydrophobicContact CB-CB 4.43Å; A116-A302 HydrophobicContact CB-CB 4Å; K299-A302 PolarHBondContact O-N 3.17Å
303S81.5Confident87.9Confident37 Ų3753.4 Ų53.426%0.25928%0.279SS..  trans-60.9138.4-179.1-177.80000111.3S114 E115 A116 T305S114-S303 WeakPolarHBondContact CB-O 3.21Å; E115-S303 WeakPolarHBondContact CB-O 3.45Å; E115-S303 PolarHBondContact N-O 2.84Å; A116-S303 PolarHBondContact N-O 2.79Å; S303-T305 WeakPolarHBondContact OG-CB 3.33Å; S303-T305 PolarHBondContact OG-N 2.92Å; S303-T305 PolarHBondContact OG-OG1 3.22Å
304K84.7Confident87.7Confident119 Ų11953.1 Ų53.152%0.51728%0.278SS..  trans-96.10.9173.6-64.2-173.4178.8-172.90112.8A116 A668A116-K304 HydrophobicContact CB-CG 4.18Å; K304-A668 HydrophobicContact CD-CB 4.4Å
305T85Confident87.5Confident78 Ų7855.2 Ų55.248%0.47928%0.281SS..SBendtrans-63.9138.9178.1-53.10000110.2S114 S303 L307S114-T305 WeakPolarHBondContact CA-O 3.13Å; S114-T305 WeakPolarHBondContact CB-O 3.23Å; S303-T305 WeakPolarHBondContact OG-CB 3.33Å; S303-T305 PolarHBondContact OG-N 2.92Å; S303-T305 PolarHBondContact OG-OG1 3.22Å; T305-L307 PolarHBondContact O-N 3.42Å
306H89.3Confident87.2Confident54 Ų5461.1 Ų61.125%0.2530%0.303CS..  trans-65.4124.9175.8-17441.7000111V112 Y113 H308V112-H306 HydrophobicContact CG1-CB 3.65Å; V112-H306 HydrophobicContact CG2-CB 4.34Å; Y113-H306 PolarHBondContact N-ND1 3.07Å; Y113-H306 CarbonylContact O-C 3.56Å; Y113-H306 VanDerWaalsContact O-CA 3.32Å; Y113-H306 WeakPolarHBondContact O-CA 3.37Å; Y113-H306 PolarHBondContact O-ND1 3.4Å; H306-H308 AromaticContact NE2-ND1 3.89Å; H306-H308 PolarHBondContact O-N 2.85Å
307L90.3Very high86.9Confident12 Ų1261.4 Ų61.46%0.06330%0.304CS..  trans-88.475.5176.2-62.2176.9000110Y113 E115 I265 T305 T310 V311Y113-L307 HydrophobicContact CD1-CB 4.37Å; Y113-L307 HydrophobicContact CE1-CD1 4.42Å; Y113-L307 PolarHBondContact O-N 3.17Å; E115-L307 HydrophobicContact CG-CD1 4.13Å; I265-L307 HydrophobicContact CD1-CD1 4.28Å; I265-L307 HydrophobicContact CD1-CD2 3.9Å; T305-L307 PolarHBondContact O-N 3.42Å; L307-T310 HydrophobicContact CB-CG2 4.46Å; L307-T310 PolarHBondContact O-N 2.95Å; L307-V311 WeakPolarHBondContact O-CG2 3.48Å; L307-V311 PolarHBondContact O-N 3.31Å
308H90.2Very high86.8Confident114 Ų11458.7 Ų58.753%0.52828%0.284SS..Hα-helixtrans-62.5-49.8-175.4-17263.9000112.5H306 T310 V311 E312H306-H308 AromaticContact NE2-ND1 3.89Å; H306-H308 PolarHBondContact O-N 2.85Å; H308-T310 VanDerWaalsContact C-N 3.32Å; H308-T310 PolarHBondContact O-N 3.11Å; H308-V311 PolarHBondContact O-N 3.32Å; H308-V311 VanDerWaalsContact O-N 3.11Å; H308-E312 PolarHBondContact O-N 3.13Å; H308-E312 VanDerWaalsContact O-N 3.1Å
309E90.9Very high86.7Confident85 Ų8557.4 Ų57.440%0.39729%0.289SS..Hα-helixtrans-61.1-40.7-179.9-59.8-61.9166.400112V261 V311 E312 E313V261-E309 HydrophobicContact CG2-CB 4Å; E309-V311 VanDerWaalsContact C-N 3.3Å; E309-V311 PolarHBondContact O-N 3.41Å; E309-E312 PolarHBondContact O-N 3.16Å; E309-E313 PolarHBondContact O-N 2.83Å
310T94.1Very high87.2Confident2 Ų253.3 Ų53.31%0.01227%0.269CS..Hα-helixtrans-58.7-40.9175.1-56.40000112.2Y113 L233 V261 L307 H308 M314Y113-T310 HydrophobicContact CD1-CG2 4.38Å; Y113-T310 HydrophobicContact CE1-CG2 3.9Å; L233-T310 VanDerWaalsContact C-CG2 3.43Å; L233-T310 WeakPolarHBondContact O-CG2 3.48Å; L233-T310 PolarHBondContact O-OG1 3.16Å; V261-T310 WeakPolarHBondContact CG1-OG1 3.39Å; L307-T310 HydrophobicContact CB-CG2 4.46Å; L307-T310 PolarHBondContact O-N 2.95Å; H308-T310 VanDerWaalsContact C-N 3.32Å; H308-T310 PolarHBondContact O-N 3.11Å; T310-M314 WeakPolarHBondContact O-CB 3.27Å; T310-M314 PolarHBondContact O-N 3.34Å
311V92.7Very high87.6Confident5 Ų551.1 Ų51.13%0.0324%0.24CC..Hα-helixtrans-68.2-39.9178.4168.50000111.1I103 A107 Y113 L307 H308 E309 M314 R315I103-V311 HydrophobicContact CG2-CG2 4.5Å; A107-V311 HydrophobicContact CB-CB 4.27Å; A107-V311 HydrophobicContact CB-CG1 3.5Å; A107-V311 HydrophobicContact CB-CG2 3.75Å; Y113-V311 HydrophobicContact CD1-CG2 3.92Å; Y113-V311 HydrophobicContact CG-CG2 4.25Å; L307-V311 WeakPolarHBondContact O-CG2 3.48Å; L307-V311 PolarHBondContact O-N 3.31Å; H308-V311 PolarHBondContact O-N 3.32Å; H308-V311 VanDerWaalsContact O-N 3.11Å; E309-V311 VanDerWaalsContact C-N 3.3Å; E309-V311 PolarHBondContact O-N 3.41Å; V311-M314 PolarHBondContact O-N 2.91Å; V311-R315 PolarHBondContact O-N 3.05Å
312E90.4Very high87.7Confident52 Ų5252 Ų5224%0.24325%0.247CC..Hα-helixtrans-66-44177.8-169.857-142.400111.4H308 E309 R315 R316H308-E312 PolarHBondContact O-N 3.13Å; H308-E312 VanDerWaalsContact O-N 3.1Å; E309-E312 PolarHBondContact O-N 3.16Å; E312-R315 VanDerWaalsContact O-CB 3.26Å; E312-R315 WeakPolarHBondContact O-CB 3.48Å; E312-R315 PolarHBondContact O-N 3.31Å; E312-R315 VanDerWaalsContact O-N 3.12Å; E312-R315 IonicContact OE1-NH1 2.83Å; E312-R315 PolarHBondContact OE1-NH1 3.48Å; E312-R315 IonicContact OE2-CZ 2.7Å; E312-R315 VanDerWaalsContact OE2-CZ 3.26Å; E312-R315 IonicContact OE2-NH1 3.41Å; E312-R315 PolarHBondContact OE2-NH1 2.88Å; E312-R315 IonicContact OE2-NH2 2.67Å; E312-R316 PolarHBondContact O-N 3.42Å; E312-R316 VanDerWaalsContact O-N 3.17Å
313E91.6Very high87.9Confident8 Ų855.6 Ų55.64%0.03727%0.265CS..Hα-helixtrans-68.4-38.5178.1-163.854.7-124.800111.5G235 S236 E309 R315 R316 F317 R320 E378G235-E313 CarbonylContact O-C 3.37Å; S236-E313 WeakPolarHBondContact OG-CG 3.48Å; S236-E313 PolarHBondContact OG-OE1 2.94Å; E309-E313 PolarHBondContact O-N 2.83Å; E313-R315 PolarHBondContact O-N 3.21Å; E313-R316 WeakPolarHBondContact O-CB 3.41Å; E313-R316 PolarHBondContact O-N 2.88Å; E313-R316 VanDerWaalsContact O-N 3.08Å; E313-R316 IonicContact OE2-CZ 3.63Å; E313-R316 IonicContact OE2-NE 3.8Å; E313-R316 IonicContact OE2-NH1 2.77Å; E313-R316 PolarHBondContact OE2-NH1 3.42Å; E313-F317 PolarHBondContact O-N 2.79Å; E313-R320 IonicContact OE1-NH1 3.42Å; E313-E378 VanDerWaalsContact OE1-OE1 3.06Å
314M93.3Very high87.7Confident0 Ų055.3 Ų55.30%026%0.259CS..Hα-helixtrans-62.5-30.7172.2-166.9174.5-67.300112.2A100 I103 V104 L231 T310 V311 N318A100-M314 HydrophobicContact CB-CG 4.25Å; A100-M314 HydrophobicContact CB-SD 4.06Å; I103-M314 HydrophobicContact CB-SD 3.78Å; I103-M314 HydrophobicContact CD1-CE 4.18Å; I103-M314 HydrophobicContact CD1-SD 3.94Å; I103-M314 HydrophobicContact CG1-SD 4.49Å; I103-M314 HydrophobicContact CG2-CE 4.44Å; I103-M314 HydrophobicContact CG2-SD 3.66Å; V104-M314 HydrophobicContact CG2-CB 3.91Å; V104-M314 HydrophobicContact CG2-CG 3.83Å; V104-M314 HydrophobicContact CG2-SD 4.3Å; L231-M314 WeakPolarHBondContact O-CE 3.49Å; T310-M314 WeakPolarHBondContact O-CB 3.27Å; T310-M314 PolarHBondContact O-N 3.34Å; V311-M314 PolarHBondContact O-N 2.91Å; M314-N318 WeakPolarHBondContact O-CB 2.92Å; M314-N318 PolarHBondContact O-N 3.46Å; M314-N318 PolarHBondContact O-ND2 3.47Å
315R90.6Very high87Confident83 Ų8351.4 Ų51.431%0.31325%0.252SS..Hα-helixtrans-64.7-44.6172.7-175.7-172.9-66149.28.2110.8V104 T108 V311 E312 E313 N318 A319V104-R315 HydrophobicContact CG1-CB 3.92Å; V104-R315 HydrophobicContact CG1-CG 4.07Å; V104-R315 HydrophobicContact CG2-CB 4.32Å; T108-R315 PolarHBondContact OG1-NH2 3.46Å; V311-R315 PolarHBondContact O-N 3.05Å; E312-R315 VanDerWaalsContact O-CB 3.26Å; E312-R315 WeakPolarHBondContact O-CB 3.48Å; E312-R315 PolarHBondContact O-N 3.31Å; E312-R315 VanDerWaalsContact O-N 3.12Å; E312-R315 IonicContact OE1-NH1 2.83Å; E312-R315 PolarHBondContact OE1-NH1 3.48Å; E312-R315 IonicContact OE2-CZ 2.7Å; E312-R315 VanDerWaalsContact OE2-CZ 3.26Å; E312-R315 IonicContact OE2-NH1 3.41Å; E312-R315 PolarHBondContact OE2-NH1 2.88Å; E312-R315 IonicContact OE2-NH2 2.67Å; E313-R315 PolarHBondContact O-N 3.21Å; R315-N318 PolarHBondContact O-N 3.03Å; R315-A319 PolarHBondContact O-N 3.26Å
316R89.1Confident86.4Confident124 Ų12450.4 Ų50.447%0.46825%0.252SS..Hα-helixtrans-63.1-47.7176.2-64.4173.5-178.4169.3-4.4111.5E312 E313 N318 A319 R320E312-R316 PolarHBondContact O-N 3.42Å; E312-R316 VanDerWaalsContact O-N 3.17Å; E313-R316 WeakPolarHBondContact O-CB 3.41Å; E313-R316 PolarHBondContact O-N 2.88Å; E313-R316 VanDerWaalsContact O-N 3.08Å; E313-R316 IonicContact OE2-CZ 3.63Å; E313-R316 IonicContact OE2-NE 3.8Å; E313-R316 IonicContact OE2-NH1 2.77Å; E313-R316 PolarHBondContact OE2-NH1 3.42Å; R316-N318 VanDerWaalsContact C-N 3.3Å; R316-N318 PolarHBondContact O-N 2.83Å; R316-A319 WeakPolarHBondContact O-CB 3.43Å; R316-A319 PolarHBondContact O-N 2.86Å; R316-A319 VanDerWaalsContact O-N 3.13Å; R316-R320 WeakPolarHBondContact O-CG 3.18Å; R316-R320 PolarHBondContact O-N 3.14Å
317F89.5Confident85.7Confident11 Ų1149.4 Ų49.45%0.04825%0.248CC..Hα-helixtrans-52.7-48173.3171.1-102.7000112.2A100 P144 L231 G235 L237 E313 R320 R321A100-F317 HydrophobicContact CB-CE1 4.43Å; P144-F317 HydrophobicContact CG-CE1 4.28Å; P144-F317 HydrophobicContact CG-CZ 4.17Å; L231-F317 HydrophobicContact CD1-CD1 3.87Å; L231-F317 HydrophobicContact CD1-CD2 4.06Å; L231-F317 HydrophobicContact CD1-CE1 3.83Å; L231-F317 HydrophobicContact CD1-CE2 4.03Å; L231-F317 HydrophobicContact CD1-CG 3.97Å; L231-F317 HydrophobicContact CD1-CZ 3.89Å; L231-F317 HydrophobicContact CD2-CD1 4.43Å; L231-F317 HydrophobicContact CD2-CE1 3.66Å; L231-F317 HydrophobicContact CD2-CZ 3.74Å; L231-F317 HydrophobicContact CG-CE1 4.34Å; L231-F317 HydrophobicContact CG-CZ 4.49Å; G235-F317 VanDerWaalsContact O-CB 3.31Å; G235-F317 WeakPolarHBondContact O-CB 3.07Å; L237-F317 HydrophobicContact CD1-CE2 3.97Å; L237-F317 HydrophobicContact CD2-CE2 4.38Å; L237-F317 HydrophobicContact CG-CE2 3.94Å; E313-F317 PolarHBondContact O-N 2.79Å; F317-R320 PolarHBondContact O-N 3.28Å; F317-R321 HydrophobicContact CE1-CG 4.35Å; F317-R321 HydrophobicContact CE2-CG 4.42Å; F317-R321 HydrophobicContact CZ-CG 4.22Å; F317-R321 PolarHBondContact O-N 3.05Å
318N88.4Confident84.7Confident6 Ų650.5 Ų50.53%0.03225%0.254CS..Hα-helixtrans-65.5-37.3178.2-81.8-19.7000113.2A100 F101 V104 M314 R315 R316 R321 K322A100-N318 WeakPolarHBondContact CB-OD1 3.43Å; A100-N318 PolarHBondContact O-ND2 3.05Å; F101-N318 HydrophobicContact CD1-CB 3.76Å; F101-N318 HydrophobicContact CE1-CB 3.48Å; F101-N318 VanDerWaalsContact CE1-CB 3.48Å; F101-N318 HydrophobicContact CZ-CB 4.36Å; F101-N318 PolarHBondContact N-ND2 3.29Å; V104-N318 WeakPolarHBondContact CG2-ND2 3.43Å; M314-N318 WeakPolarHBondContact O-CB 2.92Å; M314-N318 PolarHBondContact O-N 3.46Å; M314-N318 PolarHBondContact O-ND2 3.47Å; R315-N318 PolarHBondContact O-N 3.03Å; R316-N318 VanDerWaalsContact C-N 3.3Å; R316-N318 PolarHBondContact O-N 2.83Å; N318-R321 PolarHBondContact O-N 3.08Å; N318-K322 WeakPolarHBondContact O-CG 3.44Å; N318-K322 PolarHBondContact O-N 3.05Å
319A86.5Confident83.6Confident58 Ų5847.4 Ų47.448%0.47925%0.248SC..Hα-helixtrans-63.2-44.9175.200000111.4R315 R316 R321 K322 L323R315-A319 PolarHBondContact O-N 3.26Å; R316-A319 WeakPolarHBondContact O-CB 3.43Å; R316-A319 PolarHBondContact O-N 2.86Å; R316-A319 VanDerWaalsContact O-N 3.13Å; A319-R321 PolarHBondContact O-N 2.8Å; A319-K322 PolarHBondContact O-N 3.34Å; A319-L323 PolarHBondContact O-N 3.47Å
320R82.8Confident82.6Confident45 Ų4545.9 Ų45.917%0.1725%0.25CS..Hα-helixtrans-60.4-44.2174.4-64.7-179.3-169116.5-8.3111.6E313 R316 F317 K322 L323 K324 T377 E378E313-R320 IonicContact OE1-NH1 3.42Å; R316-R320 WeakPolarHBondContact O-CG 3.18Å; R316-R320 PolarHBondContact O-N 3.14Å; F317-R320 PolarHBondContact O-N 3.28Å; R320-K322 PolarHBondContact O-N 2.8Å; R320-L323 PolarHBondContact O-N 3.15Å; R320-K324 WeakPolarHBondContact O-CG 3.44Å; R320-K324 PolarHBondContact O-N 2.83Å; R320-T377 PolarHBondContact NH2-OG1 2.87Å; R320-E378 IonicContact CZ-OE1 3.97Å; R320-E378 IonicContact NH1-OE1 2.87Å; R320-E378 PolarHBondContact NH1-OE1 2.81Å; R320-E378 IonicContact NH2-OE1 2.76Å; R320-E378 PolarHBondContact NH2-OE1 2.88Å
321R83.2Confident81.4Confident55 Ų5547.5 Ų47.521%0.20826%0.26CS..Hα-helixtrans-60.9-41.1175.5-77.6-18062.2-141.2-0.8113D98 F317 N318 A319 L323 G325D98-R321 IonicContact OD1-NH1 3.53Å; D98-R321 PolarHBondContact OD1-NH1 3.29Å; D98-R321 IonicContact OD2-CZ 3.54Å; D98-R321 IonicContact OD2-NH1 2.77Å; D98-R321 PolarHBondContact OD2-NH1 2.99Å; D98-R321 VanDerWaalsContact OD2-NH1 3.12Å; D98-R321 IonicContact OD2-NH2 3.53Å; D98-R321 PolarHBondContact OD2-NH2 3.24Å; F317-R321 HydrophobicContact CE1-CG 4.35Å; F317-R321 HydrophobicContact CE2-CG 4.42Å; F317-R321 HydrophobicContact CZ-CG 4.22Å; F317-R321 PolarHBondContact O-N 3.05Å; N318-R321 PolarHBondContact O-N 3.08Å; A319-R321 PolarHBondContact O-N 2.8Å; R321-L323 VanDerWaalsContact C-N 3.35Å; R321-G325 PolarHBondContact O-N 3.17Å
322K80.7Confident79.9Confident139 Ų13948.8 Ų48.860%0.60427%0.269SS*.Hα-helixtrans-61.6-44.1175-76.8-179.3177.5179.30111.5F101 N318 A319 R320 G325 A326F101-K322 HydrophobicContact CE1-CD 4.01Å; F101-K322 HydrophobicContact CE1-CG 3.74Å; F101-K322 HydrophobicContact CZ-CD 4.41Å; F101-K322 HydrophobicContact CZ-CG 3.67Å; N318-K322 WeakPolarHBondContact O-CG 3.44Å; N318-K322 PolarHBondContact O-N 3.05Å; A319-K322 PolarHBondContact O-N 3.34Å; R320-K322 PolarHBondContact O-N 2.8Å; K322-G325 PolarHBondContact O-N 2.86Å; K322-A326 WeakPolarHBondContact O-CB 3.24Å; K322-A326 PolarHBondContact O-N 3.03Å
323L81.1Confident78.7Confident81 Ų8147.1 Ų47.142%0.42426%0.263SS..Hα-helixtrans-64.5-46.9179-17855.9000111.6A319 R320 R321 G325 A326 I327 F370A319-L323 PolarHBondContact O-N 3.47Å; R320-L323 PolarHBondContact O-N 3.15Å; R321-L323 VanDerWaalsContact C-N 3.35Å; L323-G325 VanDerWaalsContact C-N 3.32Å; L323-G325 PolarHBondContact O-N 3.41Å; L323-A326 WeakPolarHBondContact O-CB 3.19Å; L323-A326 PolarHBondContact O-N 3.24Å; L323-A326 VanDerWaalsContact O-N 3.1Å; L323-I327 HydrophobicContact CD1-CD1 4.29Å; L323-I327 HydrophobicContact CG-CD1 4.08Å; L323-I327 WeakPolarHBondContact O-CD1 3.26Å; L323-I327 WeakPolarHBondContact O-CG1 3.19Å; L323-I327 PolarHBondContact O-N 2.92Å; L323-F370 HydrophobicContact CD2-CD1 4.16Å; L323-F370 HydrophobicContact CD2-CE1 3.35Å; L323-F370 HydrophobicContact CD2-CE2 4.35Å; L323-F370 HydrophobicContact CD2-CZ 3.47Å; L323-F370 VanDerWaalsContact CD2-CZ 3.47Å; L323-F370 HydrophobicContact CG-CE1 4.27Å; L323-F370 HydrophobicContact CG-CE2 4.47Å; L323-F370 HydrophobicContact CG-CZ 3.99Å
324K76.4Confident77.2Confident31 Ų3152.3 Ų52.314%0.13530%0.295CS..Hα-helixtrans-55.3-48.5172.5-70176.7-177169.80111.1R320 A326 I327 L328 L367 E371R320-K324 WeakPolarHBondContact O-CG 3.44Å; R320-K324 PolarHBondContact O-N 2.83Å; K324-A326 VanDerWaalsContact C-N 3.3Å; K324-A326 PolarHBondContact O-N 2.93Å; K324-I327 PolarHBondContact O-N 3.01Å; K324-L328 VanDerWaalsContact O-CG 3.23Å; K324-L328 WeakPolarHBondContact O-CG 3.48Å; K324-L328 PolarHBondContact O-N 3.34Å; K324-L367 HydrophobicContact CB-CD2 4.02Å; K324-L367 HydrophobicContact CG-CD2 3.86Å; K324-E371 IonicContact NZ-OE1 3.85Å; K324-E371 PolarHBondContact NZ-OE1 3.44Å; K324-E371 IonicContact NZ-OE2 2.63Å; K324-E371 PolarHBondContact NZ-OE2 3.24Å
325G70.4Confident75.8Confident37 Ų3755.1 Ų55.138%0.38131%0.308SS..Hα-helixtrans-57.9-39.5175.800000113.5R321 K322 L323 A329R321-G325 PolarHBondContact O-N 3.17Å; K322-G325 PolarHBondContact O-N 2.86Å; L323-G325 VanDerWaalsContact C-N 3.32Å; L323-G325 PolarHBondContact O-N 3.41Å; G325-A329 VanDerWaalsContact O-CB 3.29Å; G325-A329 WeakPolarHBondContact O-CB 3.34Å; G325-A329 PolarHBondContact O-N 3.08Å
326A73.3Confident74.6Confident57 Ų5752.9 Ų52.947%0.47130%0.299SS..Hα-helixtrans-67.4-39.9176.800000112.5K322 L323 K324 A329 A330K322-A326 WeakPolarHBondContact O-CB 3.24Å; K322-A326 PolarHBondContact O-N 3.03Å; L323-A326 WeakPolarHBondContact O-CB 3.19Å; L323-A326 PolarHBondContact O-N 3.24Å; L323-A326 VanDerWaalsContact O-N 3.1Å; K324-A326 VanDerWaalsContact C-N 3.3Å; K324-A326 PolarHBondContact O-N 2.93Å; A326-A329 PolarHBondContact O-N 2.77Å; A326-A330 WeakPolarHBondContact O-CB 3.05Å; A326-A330 PolarHBondContact O-N 3.13Å
327I73.4Confident73.1Confident32 Ų3249.6 Ų49.616%0.16430%0.299CS..Hα-helixtrans-62.6-48.5175.4-67.5157.6000110.4L323 K324 A329 A330 V331 V366 L367 F370L323-I327 HydrophobicContact CD1-CD1 4.29Å; L323-I327 HydrophobicContact CG-CD1 4.08Å; L323-I327 WeakPolarHBondContact O-CD1 3.26Å; L323-I327 WeakPolarHBondContact O-CG1 3.19Å; L323-I327 PolarHBondContact O-N 2.92Å; K324-I327 PolarHBondContact O-N 3.01Å; I327-A329 VanDerWaalsContact C-N 3.27Å; I327-A329 PolarHBondContact O-N 3.38Å; I327-A330 PolarHBondContact O-N 2.88Å; I327-V331 PolarHBondContact O-N 3.3Å; I327-V331 VanDerWaalsContact O-N 3.16Å; I327-V366 HydrophobicContact CD1-CG1 3.93Å; I327-V366 HydrophobicContact CG2-CG1 4.41Å; I327-L367 HydrophobicContact CG2-CD2 4.48Å; I327-F370 HydrophobicContact CD1-CD2 4.05Å; I327-F370 HydrophobicContact CD1-CE2 3.24Å; I327-F370 HydrophobicContact CD1-CZ 3.94Å
328L70.1Confident71.4Confident36 Ų3652.5 Ų52.519%0.18832%0.321CS..Hα-helixtrans-60.4-37.9175.9-62.6176.2000111.8E187 I188 K324 S332 V363 L367E187-L328 HydrophobicContact CG-CD1 4.42Å; I188-L328 HydrophobicContact CD1-CD2 3.12Å; I188-L328 HydrophobicContact CD1-CG 4.43Å; I188-L328 HydrophobicContact CG1-CD2 3.62Å; K324-L328 VanDerWaalsContact O-CG 3.23Å; K324-L328 WeakPolarHBondContact O-CG 3.48Å; K324-L328 PolarHBondContact O-N 3.34Å; L328-S332 VanDerWaalsContact O-CB 3.3Å; L328-S332 WeakPolarHBondContact O-CB 3.36Å; L328-S332 PolarHBondContact O-N 2.94Å; L328-S332 VanDerWaalsContact O-N 3.17Å; L328-S332 PolarHBondContact O-OG 3.12Å; L328-V363 HydrophobicContact CD2-CG1 4.49Å; L328-L367 HydrophobicContact CD2-CD1 3.83Å
329A67.4Low69.7Low49 Ų4955 Ų5541%0.40533%0.331SS..Hα-helixtrans-67.5-39176.800000112.3G325 A326 I327 S332G325-A329 VanDerWaalsContact O-CB 3.29Å; G325-A329 WeakPolarHBondContact O-CB 3.34Å; G325-A329 PolarHBondContact O-N 3.08Å; A326-A329 PolarHBondContact O-N 2.77Å; I327-A329 VanDerWaalsContact C-N 3.27Å; I327-A329 PolarHBondContact O-N 3.38Å; A329-S332 WeakPolarHBondContact CA-OG 3.29Å; A329-S332 PolarHBondContact O-N 3.03Å; A329-S332 PolarHBondContact O-OG 3.48Å; A329-S332 VanDerWaalsContact O-OG 3.05Å
330A70.1Confident68Low53 Ų5354 Ų5444%0.43832%0.315SS..Hα-helixtrans-64.2-47.3178.800000111.7A326 I327 S332 S333A326-A330 WeakPolarHBondContact O-CB 3.05Å; A326-A330 PolarHBondContact O-N 3.13Å; I327-A330 PolarHBondContact O-N 2.88Å; A330-S332 VanDerWaalsContact C-N 3.3Å; A330-S332 PolarHBondContact O-N 3.18Å; A330-S333 WeakPolarHBondContact O-CB 3.46Å; A330-S333 PolarHBondContact O-N 3.41Å
331V68.4Low66.2Low35 Ų3556.7 Ų56.721%0.21234%0.337CS..Hα-helixtrans-76-16.3-180-58.10000114I188 I327 S333 V363I188-V331 HydrophobicContact CD1-CG2 4.03Å; I327-V331 PolarHBondContact O-N 3.3Å; I327-V331 VanDerWaalsContact O-N 3.16Å; V331-S333 VanDerWaalsContact C-N 3.29Å; V331-V363 HydrophobicContact CB-CG2 4.12Å; V331-V363 HydrophobicContact CG1-CG2 3.58Å; V331-V363 HydrophobicContact CG2-CG1 4.49Å; V331-V363 HydrophobicContact CG2-CG2 4.02Å
332S61.9Low64.4Low32 Ų3260.9 Ų60.922%0.22436%0.359CS..THydrogen-bonded Turntrans-89.914.3173.664.10000113.6K20 L328 A329 A330K20-S332 PolarHBondContact NZ-O 3.41Å; L328-S332 VanDerWaalsContact O-CB 3.3Å; L328-S332 WeakPolarHBondContact O-CB 3.36Å; L328-S332 PolarHBondContact O-N 2.94Å; L328-S332 VanDerWaalsContact O-N 3.17Å; L328-S332 PolarHBondContact O-OG 3.12Å; A329-S332 WeakPolarHBondContact CA-OG 3.29Å; A329-S332 PolarHBondContact O-N 3.03Å; A329-S332 PolarHBondContact O-OG 3.48Å; A329-S332 VanDerWaalsContact O-OG 3.05Å; A330-S332 VanDerWaalsContact C-N 3.3Å; A330-S332 PolarHBondContact O-N 3.18Å
333S64.3Low62.7Low18 Ų1859.8 Ų59.813%0.12637%0.366CS..  trans-64.4141172.6179.40000111A330 V331 K335 W336 A337 E469A330-S333 WeakPolarHBondContact O-CB 3.46Å; A330-S333 PolarHBondContact O-N 3.41Å; V331-S333 VanDerWaalsContact C-N 3.29Å; S333-K335 PolarHBondContact O-N 3.13Å; S333-K335 PolarHBondContact OG-N 2.92Å; S333-K335 VanDerWaalsContact OG-N 3.1Å; S333-W336 VanDerWaalsContact O-CB 3.32Å; S333-W336 WeakPolarHBondContact O-CB 3.14Å; S333-W336 PolarHBondContact O-N 2.86Å; S333-A337 PolarHBondContact O-N 2.81Å; S333-E469 VanDerWaalsContact CB-OE1 3.29Å; S333-E469 WeakPolarHBondContact CB-OE1 3.34Å; S333-E469 PolarHBondContact OG-OE1 3.22Å
334T61.1Low60.9Low116 Ų11663.3 Ų63.371%0.71239%0.385SS*.Hα-helixtrans-65-27171.150.30000111.8W336 A337 S338T334-W336 VanDerWaalsContact C-N 3.32Å; T334-A337 PolarHBondContact O-N 3.44Å; T334-S338 WeakPolarHBondContact O-CB 3.29Å; T334-S338 PolarHBondContact O-N 3.32Å
335K63.9Low59.5Low59 Ų5965.2 Ų65.226%0.25740%0.396SS..Hα-helixtrans-68.4-34.7174.7-64.1-172.6179.6-175.90111.2S333 A337 S338 F339 E469S333-K335 PolarHBondContact O-N 3.13Å; S333-K335 PolarHBondContact OG-N 2.92Å; S333-K335 VanDerWaalsContact OG-N 3.1Å; K335-A337 VanDerWaalsContact C-N 3.34Å; K335-S338 PolarHBondContact O-N 2.73Å; K335-F339 WeakPolarHBondContact O-CD2 3.32Å; K335-F339 WeakPolarHBondContact O-CE2 3.21Å; K335-E469 HydrophobicContact CD-CG 3.8Å
336W64.6Low58.4Low36 Ų3666.5 Ų66.514%0.13639%0.394CS..Hα-helixtrans-59.7-46.4170.9-161.1-85.6000110.7S333 T334 T359 Q461 T462 V465S333-W336 VanDerWaalsContact O-CB 3.32Å; S333-W336 WeakPolarHBondContact O-CB 3.14Å; S333-W336 PolarHBondContact O-N 2.86Å; T334-W336 VanDerWaalsContact C-N 3.32Å; W336-T359 HydrophobicContact CZ2-CG2 4.01Å; W336-Q461 PolarHBondContact O-NE2 3.05Å; W336-T462 HydrophobicContact CH2-CG2 3.93Å; W336-T462 WeakPolarHBondContact CH2-OG1 3.27Å; W336-T462 HydrophobicContact CZ3-CG2 4.16Å; W336-V465 HydrophobicContact CD2-CG2 4.48Å; W336-V465 HydrophobicContact CE3-CB 3.99Å; W336-V465 HydrophobicContact CE3-CG1 3.91Å; W336-V465 HydrophobicContact CE3-CG2 3.82Å; W336-V465 HydrophobicContact CZ3-CB 4.25Å; W336-V465 HydrophobicContact CZ3-CG1 4.38Å; W336-V465 HydrophobicContact CZ3-CG2 4.4Å
337A57.7Low57.1Low55 Ų5570 Ų7046%0.45542%0.415SS..Hα-helixtrans-73.7-28.6179.400000114.8S333 T334 K335 F339 Y340 T341S333-A337 PolarHBondContact O-N 2.81Å; T334-A337 PolarHBondContact O-N 3.44Å; K335-A337 VanDerWaalsContact C-N 3.34Å; A337-F339 VanDerWaalsContact C-N 3.32Å; A337-F339 PolarHBondContact O-N 3.34Å; A337-Y340 WeakPolarHBondContact O-CB 3.33Å; A337-Y340 PolarHBondContact O-N 2.94Å; A337-T341 PolarHBondContact O-OG1 2.96Å
338S54.3Low55.9Low73 Ų7373.1 Ų73.151%0.5143%0.432SS..Hα-helixtrans-65.9-29.2-172-175.10000114.1T334 K335 Y340 T341T334-S338 WeakPolarHBondContact O-CB 3.29Å; T334-S338 PolarHBondContact O-N 3.32Å; K335-S338 PolarHBondContact O-N 2.73Å; S338-Y340 PolarHBondContact O-N 3.14Å; S338-T341 PolarHBondContact O-N 3.39Å; S338-T341 PolarHBondContact O-OG1 2.93Å
339F52.9Low54.9Low59 Ų5978 Ų7826%0.25946%0.458SS..G310 helixtrans-70.7-19.4-179.3-71-77.9000112.8K335 A337 T341 T422 Q461 D464 V465K335-F339 WeakPolarHBondContact O-CD2 3.32Å; K335-F339 WeakPolarHBondContact O-CE2 3.21Å; A337-F339 VanDerWaalsContact C-N 3.32Å; A337-F339 PolarHBondContact O-N 3.34Å; F339-T341 VanDerWaalsContact C-N 3.35Å; F339-T422 HydrophobicContact CD1-CG2 4.25Å; F339-Q461 HydrophobicContact CB-CG 4.04Å; F339-Q461 HydrophobicContact CD2-CG 4.12Å; F339-Q461 HydrophobicContact CG-CG 4.28Å; F339-D464 HydrophobicContact CE1-CB 4.12Å; F339-D464 HydrophobicContact CE2-CB 4.22Å; F339-D464 HydrophobicContact CZ-CB 3.71Å; F339-V465 HydrophobicContact CD2-CG2 4.14Å; F339-V465 HydrophobicContact CE2-CG2 3.87Å
340Y50.8Low54Low36 Ų3681.4 Ų81.414%0.14147%0.47CS..G310 helixtrans-77.4-20.1173.5-67.9-61.6000113.4A337 S338 L352 D355 Q461A337-Y340 WeakPolarHBondContact O-CB 3.33Å; A337-Y340 PolarHBondContact O-N 2.94Å; S338-Y340 PolarHBondContact O-N 3.14Å; Y340-L352 HydrophobicContact CD1-CD2 4.01Å; Y340-L352 HydrophobicContact CG-CD2 4.39Å; Y340-L352 WeakPolarHBondContact O-CD2 3.46Å; Y340-D355 HydrophobicContact CD1-CB 4.29Å; Y340-D355 HydrophobicContact CE1-CB 3.28Å; Y340-D355 WeakPolarHBondContact OH-CB 3.36Å; Y340-Q461 VanDerWaalsContact CZ-NE2 3.35Å; Y340-Q461 VanDerWaalsContact CZ-OE1 3.25Å; Y340-Q461 PolarHBondContact OH-OE1 2.87Å
341T44.6Very low53.2Low101 Ų10180.2 Ų80.262%0.6246%0.456SS*.G310 helixtrans-94.92.5-168.8-8.90000114.4A337 S338 F339 P343A337-T341 PolarHBondContact O-OG1 2.96Å; S338-T341 PolarHBondContact O-N 3.39Å; S338-T341 PolarHBondContact O-OG1 2.93Å; F339-T341 VanDerWaalsContact C-N 3.35Å; T341-P343 WeakPolarHBondContact O-CD 3.26Å; T341-P343 WeakPolarHBondContact O-CG 3.49Å; T341-P343 VanDerWaalsContact O-N 3.16Å
342E46Very low52.4Low144 Ų14482 Ų8267%0.67346%0.464SS*.  trans-69.3109.2174-87.4-157.7165.100110.6N344E342-N344 PolarHBondContact O-N 3.41Å
343P43.3Very low52.1Low116 Ų11685.7 Ų85.775%0.75348%0.481SS*.THydrogen-bonded Turntrans-73.9-3.9-164.6-14.930.1000114.9T341T341-P343 WeakPolarHBondContact O-CD 3.26Å; T341-P343 WeakPolarHBondContact O-CG 3.49Å; T341-P343 VanDerWaalsContact O-N 3.16Å
344N43.3Very low51.7Low155 Ų15589.5 Ų89.583%0.82950%0.497SS*.THydrogen-bonded Turntrans-104.9-4.7-157.9-78-25.2000115.6E342E342-N344 PolarHBondContact O-N 3.41Å
345I48.2Very low51.8Low70 Ų7084.3 Ų84.336%0.35947%0.465SS..SBendtrans-106.4-32.9-168.6-50.3-164.1000113.9A426I345-A426 HydrophobicContact CD1-CB 3.4Å; I345-A426 VanDerWaalsContact CD1-CB 3.4Å; I345-A426 HydrophobicContact CG2-CB 4.37Å
346L46Very low51.9Low65 Ų6585.3 Ų85.334%0.3447%0.472SS..  trans-146.8114.2176.1-62.8168.8000110.5D348 I351 W425L346-D348 PolarHBondContact O-N 3.47Å; L346-D348 VanDerWaalsContact O-N 3.08Å; L346-I351 HydrophobicContact CB-CD1 3.92Å; L346-I351 HydrophobicContact CD1-CD1 3.66Å; L346-I351 HydrophobicContact CG-CD1 4.27Å; L346-W425 HydrophobicContact CD1-CH2 4.2Å
347S46.7Very low51.9Low131 Ų13186.9 Ų86.992%0.91648%0.481SS*.  trans-7931.9177.662.60000113.5
348D48.2Very low52.5Low97 Ų9785.5 Ų85.552%0.51947%0.467SS..  trans-108.3102.3175.1-91.6-26.3000107.9L346 D350 I351L346-D348 PolarHBondContact O-N 3.47Å; L346-D348 VanDerWaalsContact O-N 3.08Å; D348-D350 PolarHBondContact O-N 3.1Å; D348-D350 VanDerWaalsContact O-N 3.16Å; D348-I351 HydrophobicContact CB-CD1 3.7Å; D348-I351 HydrophobicContact CB-CG1 3.76Å; D348-I351 WeakPolarHBondContact O-CB 3.17Å; D348-I351 PolarHBondContact O-N 3.38Å
349D49.4Very low53.3Low138 Ų13882.9 Ų82.974%0.73845%0.448SS*.Hα-helixtrans-53.1-28.9170.7-82.6-21.6000111.2I351 L352D349-I351 PolarHBondContact O-N 2.52Å; D349-L352 PolarHBondContact O-N 3.4Å
350D49.3Very low54Low121 Ų12180.9 Ų80.965%0.64744%0.441SS*.Hα-helixtrans-61.1-22.6176.9-71-11.6000113.6D348D348-D350 PolarHBondContact O-N 3.1Å; D348-D350 VanDerWaalsContact O-N 3.16Å
351I51.6Low55.1Low28 Ų2882 Ų8214%0.14446%0.458CS..Hα-helixtrans-78.5-32.9-176.6-66.9177.2000112.3L346 D348 D349 D355L346-I351 HydrophobicContact CB-CD1 3.92Å; L346-I351 HydrophobicContact CD1-CD1 3.66Å; L346-I351 HydrophobicContact CG-CD1 4.27Å; D348-I351 HydrophobicContact CB-CD1 3.7Å; D348-I351 HydrophobicContact CB-CG1 3.76Å; D348-I351 WeakPolarHBondContact O-CB 3.17Å; D348-I351 PolarHBondContact O-N 3.38Å; D349-I351 PolarHBondContact O-N 2.52Å; I351-D355 PolarHBondContact O-N 3.33Å
352L52.8Low56.7Low73 Ų7379.8 Ų79.838%0.38245%0.45SS..Hα-helixtrans-68.9-39.6-177.6-68.2175.1000111.4Y340 D349 D355 D356Y340-L352 HydrophobicContact CD1-CD2 4.01Å; Y340-L352 HydrophobicContact CG-CD2 4.39Å; Y340-L352 WeakPolarHBondContact O-CD2 3.46Å; D349-L352 PolarHBondContact O-N 3.4Å; L352-D355 PolarHBondContact O-N 3.19Å; L352-D356 PolarHBondContact O-N 2.92Å
353D54.5Low58.2Low109 Ų10973.5 Ų73.558%0.58342%0.422SS*.Hα-helixtrans-65.7-38.6179.4-71.3-20.9000111.8E357D353-E357 WeakPolarHBondContact O-CG 3.46Å; D353-E357 PolarHBondContact O-N 3.36Å
354E57.1Low59.8Low98 Ų9868.6 Ų68.646%0.45839%0.39SS..Hα-helixtrans-66.2-37.7178.8-74.1-173.217500113.3E357 V358 P454E354-E357 WeakPolarHBondContact O-CB 3.46Å; E354-E357 PolarHBondContact O-N 3.34Å; E354-V358 PolarHBondContact O-N 3.1Å; E354-P454 HydrophobicContact CB-CG 3.93Å; E354-P454 WeakPolarHBondContact OE2-CG 3.49Å
355D62.7Low61.7Low7 Ų761.9 Ų61.94%0.03736%0.356CS..Hα-helixtrans-74.7-35.5-177-70.6-20.2000111.9Y340 I351 L352 E357 V358 T359 P454 R457Y340-D355 HydrophobicContact CD1-CB 4.29Å; Y340-D355 HydrophobicContact CE1-CB 3.28Å; Y340-D355 WeakPolarHBondContact OH-CB 3.36Å; I351-D355 PolarHBondContact O-N 3.33Å; L352-D355 PolarHBondContact O-N 3.19Å; D355-E357 VanDerWaalsContact C-N 3.33Å; D355-V358 PolarHBondContact O-N 3.45Å; D355-T359 PolarHBondContact O-N 3.28Å; D355-T359 VanDerWaalsContact O-N 3.16Å; D355-T359 PolarHBondContact O-OG1 3.4Å; D355-P454 VanDerWaalsContact OD1-CA 3.29Å; D355-P454 WeakPolarHBondContact OD1-CA 3.47Å; D355-P454 WeakPolarHBondContact OD1-CB 3.37Å; D355-R457 IonicContact OD1-NH1 3.09Å
356D65Low63.4Low79 Ų7960.4 Ų60.442%0.42235%0.351SS..Hα-helixtrans-64.8-38.1172.2-88.9-11.1000111L192 L352 T359 S360L192-D356 HydrophobicContact CD1-CB 3.73Å; L352-D356 PolarHBondContact O-N 2.92Å; D356-T359 PolarHBondContact O-N 2.91Å; D356-S360 VanDerWaalsContact O-CB 3.29Å; D356-S360 WeakPolarHBondContact O-CB 3.48Å; D356-S360 PolarHBondContact O-N 2.92Å
357E65.4Low65.2Low69 Ų6957.8 Ų57.832%0.32234%0.337SS..Hα-helixtrans-58.8-46.1173.7-83.3-173.3-166.400112.7L192 D353 E354 D355 S360 A361L192-E357 HydrophobicContact CB-CG 3.74Å; L192-E357 HydrophobicContact CD1-CG 4.24Å; D353-E357 WeakPolarHBondContact O-CG 3.46Å; D353-E357 PolarHBondContact O-N 3.36Å; E354-E357 WeakPolarHBondContact O-CB 3.46Å; E354-E357 PolarHBondContact O-N 3.34Å; D355-E357 VanDerWaalsContact C-N 3.33Å; E357-S360 PolarHBondContact O-N 3.04Å; E357-A361 WeakPolarHBondContact O-CB 3.33Å; E357-A361 PolarHBondContact O-N 3.01Å
358V70Confident67Low26 Ų2652.1 Ų52.116%0.15830%0.296CS..Hα-helixtrans-65.1-45.3179.81700000111.9E354 D355 S360 A361 A362 P454 H455 A458E354-V358 PolarHBondContact O-N 3.1Å; D355-V358 PolarHBondContact O-N 3.45Å; V358-S360 VanDerWaalsContact C-N 3.29Å; V358-S360 PolarHBondContact O-N 3.25Å; V358-A361 PolarHBondContact O-N 3.34Å; V358-A362 WeakPolarHBondContact O-CB 3.3Å; V358-A362 PolarHBondContact O-N 2.89Å; V358-P454 HydrophobicContact CB-CB 4.45Å; V358-P454 HydrophobicContact CG2-CB 3.58Å; V358-H455 WeakPolarHBondContact CG1-ND1 3.36Å; V358-A458 HydrophobicContact CG1-CB 4.18Å
359T71.4Confident68.8Low19 Ų1947.5 Ų47.512%0.11727%0.271CS..Hα-helixtrans-59.1-46.3176.9-62.90000110.2W336 D355 D356 A362 V363W336-T359 HydrophobicContact CZ2-CG2 4.01Å; D355-T359 PolarHBondContact O-N 3.28Å; D355-T359 VanDerWaalsContact O-N 3.16Å; D355-T359 PolarHBondContact O-OG1 3.4Å; D356-T359 PolarHBondContact O-N 2.91Å; T359-A362 PolarHBondContact O-N 3.34Å; T359-V363 VanDerWaalsContact O-CG2 3.3Å; T359-V363 WeakPolarHBondContact O-CG2 3.42Å; T359-V363 PolarHBondContact O-N 2.91Å
360S68.6Low70.4Confident16 Ų1642.3 Ų42.311%0.11224%0.242CC..Hα-helixtrans-59.4-53.6178.5-1380000110.5V190 D356 E357 V358 A362 V363 S364V190-S360 VanDerWaalsContact CA-OG 3.3Å; V190-S360 WeakPolarHBondContact CA-OG 3.43Å; V190-S360 WeakPolarHBondContact CB-OG 3.27Å; V190-S360 WeakPolarHBondContact CG1-O 3.38Å; V190-S360 WeakPolarHBondContact CG1-OG 3.37Å; V190-S360 WeakPolarHBondContact CG2-OG 3.36Å; D356-S360 VanDerWaalsContact O-CB 3.29Å; D356-S360 WeakPolarHBondContact O-CB 3.48Å; D356-S360 PolarHBondContact O-N 2.92Å; E357-S360 PolarHBondContact O-N 3.04Å; V358-S360 VanDerWaalsContact C-N 3.29Å; V358-S360 PolarHBondContact O-N 3.25Å; S360-A362 VanDerWaalsContact C-N 3.29Å; S360-A362 PolarHBondContact O-N 3.46Å; S360-V363 PolarHBondContact O-N 3.26Å; S360-S364 PolarHBondContact O-N 3.47Å
361A73.2Confident71.9Confident60 Ų6037 Ų3750%0.49621%0.214SC..Hα-helixtrans-54.6-43.3179.500000112.6E357 V358 S364 A365E357-A361 WeakPolarHBondContact O-CB 3.33Å; E357-A361 PolarHBondContact O-N 3.01Å; V358-A361 PolarHBondContact O-N 3.34Å; A361-S364 PolarHBondContact O-N 3.43Å; A361-A365 WeakPolarHBondContact O-CB 3.28Å; A361-A365 PolarHBondContact O-N 3.37Å
362A78Confident73.4Confident55 Ų5536.7 Ų36.746%0.45521%0.212SC..Hα-helixtrans-64-43.2176.200000112.5V358 T359 S360 S364 A365 V366V358-A362 WeakPolarHBondContact O-CB 3.3Å; V358-A362 PolarHBondContact O-N 2.89Å; T359-A362 PolarHBondContact O-N 3.34Å; S360-A362 VanDerWaalsContact C-N 3.29Å; S360-A362 PolarHBondContact O-N 3.46Å; A362-S364 PolarHBondContact O-N 2.93Å; A362-A365 WeakPolarHBondContact O-CB 3.47Å; A362-A365 PolarHBondContact O-N 2.91Å; A362-V366 WeakPolarHBondContact O-CG2 3.49Å; A362-V366 PolarHBondContact O-N 3.08Å
363V77.7Confident74.7Confident11 Ų1135.2 Ų35.27%0.06720%0.203CC..Hα-helixtrans-63.1-42.3175.7172.90000111.1I188 L328 V331 T359 S360 V366 L367I188-V363 HydrophobicContact CD1-CG1 3.93Å; L328-V363 HydrophobicContact CD2-CG1 4.49Å; V331-V363 HydrophobicContact CB-CG2 4.12Å; V331-V363 HydrophobicContact CG1-CG2 3.58Å; V331-V363 HydrophobicContact CG2-CG1 4.49Å; V331-V363 HydrophobicContact CG2-CG2 4.02Å; T359-V363 VanDerWaalsContact O-CG2 3.3Å; T359-V363 WeakPolarHBondContact O-CG2 3.42Å; T359-V363 PolarHBondContact O-N 2.91Å; S360-V363 PolarHBondContact O-N 3.26Å; V363-V366 PolarHBondContact O-N 2.77Å; V363-L367 HydrophobicContact CG1-CD1 3.79Å; V363-L367 HydrophobicContact CG1-CG 4.26Å; V363-L367 WeakPolarHBondContact O-CB 3.4Å; V363-L367 VanDerWaalsContact O-CG 3.25Å; V363-L367 WeakPolarHBondContact O-CG 3.03Å; V363-L367 PolarHBondContact O-N 3.45Å
364S76.7Confident75.9Confident14 Ų1430.2 Ų30.210%0.09818%0.177CC..Hα-helixtrans-63.6-44176.1-164.10000111.6R199 S360 A361 A362 V366 L367 D368R199-S364 PolarHBondContact NH1-OG 2.77Å; R199-S364 VanDerWaalsContact NH1-OG 3.13Å; S360-S364 PolarHBondContact O-N 3.47Å; A361-S364 PolarHBondContact O-N 3.43Å; A362-S364 PolarHBondContact O-N 2.93Å; S364-V366 VanDerWaalsContact C-N 3.32Å; S364-V366 PolarHBondContact O-N 3.38Å; S364-L367 PolarHBondContact O-N 2.96Å; S364-D368 WeakPolarHBondContact O-CB 3.1Å; S364-D368 PolarHBondContact O-N 3.02Å; S364-D368 PolarHBondContact OG-OD2 3.04Å
365A83.2Confident76.9Confident14 Ų1425.7 Ų25.712%0.11616%0.156CC..Hα-helixtrans-55.5-47.4176.500000111.9A361 A362 D368 S369 H395 L399A361-A365 WeakPolarHBondContact O-CB 3.28Å; A361-A365 PolarHBondContact O-N 3.37Å; A362-A365 WeakPolarHBondContact O-CB 3.47Å; A362-A365 PolarHBondContact O-N 2.91Å; A365-D368 PolarHBondContact O-N 2.77Å; A365-S369 WeakPolarHBondContact O-CB 3.31Å; A365-S369 PolarHBondContact O-N 3.22Å; A365-H395 WeakPolarHBondContact CB-NE2 3.08Å; A365-L399 HydrophobicContact CB-CD1 4.43Å
366V84.8Confident77.6Confident39 Ų3928 Ų2824%0.23617%0.168CC..Hα-helixtrans-62.7-46.8176.5170.70000111.2I327 A362 V363 S364 D368 S369 F370I327-V366 HydrophobicContact CD1-CG1 3.93Å; I327-V366 HydrophobicContact CG2-CG1 4.41Å; A362-V366 WeakPolarHBondContact O-CG2 3.49Å; A362-V366 PolarHBondContact O-N 3.08Å; V363-V366 PolarHBondContact O-N 2.77Å; S364-V366 VanDerWaalsContact C-N 3.32Å; S364-V366 PolarHBondContact O-N 3.38Å; V366-D368 PolarHBondContact O-N 3.3Å; V366-S369 PolarHBondContact O-N 3.22Å; V366-S369 PolarHBondContact O-OG 3Å; V366-F370 HydrophobicContact CG1-CD2 4.32Å; V366-F370 HydrophobicContact CG1-CE2 3.65Å; V366-F370 WeakPolarHBondContact O-CD2 3.39Å; V366-F370 PolarHBondContact O-N 3.18Å
367L84Confident78.1Confident10 Ų1028.8 Ų28.85%0.05218%0.175CC..Hα-helixtrans-65.1-38.7179.2-69173.4000113.1K324 I327 L328 V363 S364 F370K324-L367 HydrophobicContact CB-CD2 4.02Å; K324-L367 HydrophobicContact CG-CD2 3.86Å; I327-L367 HydrophobicContact CG2-CD2 4.48Å; L328-L367 HydrophobicContact CD2-CD1 3.83Å; V363-L367 HydrophobicContact CG1-CD1 3.79Å; V363-L367 HydrophobicContact CG1-CG 4.26Å; V363-L367 WeakPolarHBondContact O-CB 3.4Å; V363-L367 VanDerWaalsContact O-CG 3.25Å; V363-L367 WeakPolarHBondContact O-CG 3.03Å; V363-L367 PolarHBondContact O-N 3.45Å; S364-L367 PolarHBondContact O-N 2.96Å; L367-F370 PolarHBondContact O-N 3.29Å
368D83.1Confident78.5Confident11 Ų1125.9 Ų25.96%0.05916%0.162CC..Hα-helixtrans-66.1-42.4178.4-70.2-10.7000110.2R199 T242 R243 S364 A365 V366 F370 E371 E372R199-D368 IonicContact CZ-OD1 3.65Å; R199-D368 IonicContact NH1-OD1 3.64Å; R199-D368 PolarHBondContact NH1-OD1 3.2Å; R199-D368 IonicContact NH2-OD1 2.79Å; R199-D368 PolarHBondContact NH2-OD1 2.71Å; T242-D368 HydrophobicContact CG2-CB 3.88Å; R243-D368 IonicContact CZ-OD2 3.95Å; R243-D368 IonicContact NE-OD2 3.87Å; R243-D368 IonicContact NH2-OD2 3.99Å; R243-D368 PolarHBondContact NH2-OD2 2.83Å; S364-D368 WeakPolarHBondContact O-CB 3.1Å; S364-D368 PolarHBondContact O-N 3.02Å; S364-D368 PolarHBondContact OG-OD2 3.04Å; A365-D368 PolarHBondContact O-N 2.77Å; V366-D368 PolarHBondContact O-N 3.3Å; D368-F370 PolarHBondContact O-N 3.29Å; D368-E371 WeakPolarHBondContact O-CB 3.29Å; D368-E371 PolarHBondContact O-N 2.84Å; D368-E372 PolarHBondContact O-N 2.68Å
369S86.5Confident78.4Confident0 Ų025.3 Ų25.30%016%0.159CC..Hα-helixtrans-58.8-31.5175.677.50000113.3A365 V366 E372 M373 Y403A365-S369 WeakPolarHBondContact O-CB 3.31Å; A365-S369 PolarHBondContact O-N 3.22Å; V366-S369 PolarHBondContact O-N 3.22Å; V366-S369 PolarHBondContact O-OG 3Å; S369-E372 PolarHBondContact O-N 3.31Å; S369-M373 WeakPolarHBondContact O-CB 3.46Å; S369-M373 VanDerWaalsContact O-CG 3.27Å; S369-M373 WeakPolarHBondContact O-CG 3.34Å; S369-M373 PolarHBondContact O-N 3.01Å; S369-Y403 PolarHBondContact OG-OH 2.89Å
370F82.4Confident78.2Confident29 Ų2928.5 Ų28.513%0.12717%0.171CC..Hα-helixtrans-69.6-32.9174.9-74-63.4000113.2L323 I327 V366 L367 D368 M373 Q374L323-F370 HydrophobicContact CD2-CD1 4.16Å; L323-F370 HydrophobicContact CD2-CE1 3.35Å; L323-F370 HydrophobicContact CD2-CE2 4.35Å; L323-F370 HydrophobicContact CD2-CZ 3.47Å; L323-F370 VanDerWaalsContact CD2-CZ 3.47Å; L323-F370 HydrophobicContact CG-CE1 4.27Å; L323-F370 HydrophobicContact CG-CE2 4.47Å; L323-F370 HydrophobicContact CG-CZ 3.99Å; I327-F370 HydrophobicContact CD1-CD2 4.05Å; I327-F370 HydrophobicContact CD1-CE2 3.24Å; I327-F370 HydrophobicContact CD1-CZ 3.94Å; V366-F370 HydrophobicContact CG1-CD2 4.32Å; V366-F370 HydrophobicContact CG1-CE2 3.65Å; V366-F370 WeakPolarHBondContact O-CD2 3.39Å; V366-F370 PolarHBondContact O-N 3.18Å; L367-F370 PolarHBondContact O-N 3.29Å; D368-F370 PolarHBondContact O-N 3.29Å; F370-M373 HydrophobicContact CB-CE 4.45Å; F370-M373 HydrophobicContact CD1-CE 3.24Å; F370-M373 HydrophobicContact CE1-CE 3.53Å; F370-M373 HydrophobicContact CG-CE 4.03Å; F370-Q374 PolarHBondContact O-N 3.36Å
371E81.5Confident77.9Confident11 Ų1136.6 Ų36.65%0.05121%0.207CC..Hα-helixtrans-73.9-38.1174.1-52.5-64.7-168.800110.8H204 T242 K324 D368 Q374 C375H204-E371 IonicContact CE1-OE1 3.75Å; H204-E371 PolarHBondContact CE1-OE1 2.94Å; T242-E371 HydrophobicContact CG2-CB 3.62Å; T242-E371 HydrophobicContact CG2-CG 4.03Å; K324-E371 IonicContact NZ-OE1 3.85Å; K324-E371 PolarHBondContact NZ-OE1 3.44Å; K324-E371 IonicContact NZ-OE2 2.63Å; K324-E371 PolarHBondContact NZ-OE2 3.24Å; D368-E371 WeakPolarHBondContact O-CB 3.29Å; D368-E371 PolarHBondContact O-N 2.84Å; E371-Q374 VanDerWaalsContact O-CB 3.23Å; E371-Q374 WeakPolarHBondContact O-CB 3.28Å; E371-Q374 PolarHBondContact O-N 2.88Å; E371-C375 PolarHBondContact O-N 2.84Å
372E82.6Confident77.5Confident20 Ų2042.8 Ų42.89%0.09322%0.223CC..Hα-helixtrans-70.7-39.3178.4-72.8154.7-163.500112.3T242 D368 S369 Q374 C375 L376 V390 L396T242-E372 HydrophobicContact CG2-CG 4.18Å; T242-E372 PolarHBondContact OG1-OE1 3.46Å; D368-E372 PolarHBondContact O-N 2.68Å; S369-E372 PolarHBondContact O-N 3.31Å; E372-Q374 PolarHBondContact O-N 3.21Å; E372-C375 VanDerWaalsContact O-CB 3.25Å; E372-C375 WeakPolarHBondContact O-CB 3.42Å; E372-C375 PolarHBondContact O-N 3.07Å; E372-L376 PolarHBondContact O-N 2.84Å; E372-V390 HydrophobicContact CB-CG1 4.43Å; E372-L396 HydrophobicContact CB-CD1 4.23Å; E372-L396 HydrophobicContact CB-CD2 3.85Å
373M81.3Confident77Confident42 Ų4241.4 Ų41.421%0.20721%0.208CC..Hα-helixtrans-59.3-30.8169.2-78.9-170-68.400112.2S369 F370 C375 L376 T377 L400 Y403S369-M373 WeakPolarHBondContact O-CB 3.46Å; S369-M373 VanDerWaalsContact O-CG 3.27Å; S369-M373 WeakPolarHBondContact O-CG 3.34Å; S369-M373 PolarHBondContact O-N 3.01Å; F370-M373 HydrophobicContact CB-CE 4.45Å; F370-M373 HydrophobicContact CD1-CE 3.24Å; F370-M373 HydrophobicContact CE1-CE 3.53Å; F370-M373 HydrophobicContact CG-CE 4.03Å; M373-C375 VanDerWaalsContact C-N 3.33Å; M373-L376 PolarHBondContact O-N 3.22Å; M373-T377 WeakPolarHBondContact O-CG2 3.4Å; M373-T377 PolarHBondContact O-N 3.36Å; M373-T377 VanDerWaalsContact O-N 3.09Å; M373-T377 PolarHBondContact O-OG1 3.42Å; M373-L400 HydrophobicContact CG-CD2 3.7Å; M373-L400 HydrophobicContact SD-CD2 3.46Å; M373-L400 WeakPolarHBondContact SD-CD2 3.49Å; M373-Y403 HydrophobicContact CE-CD2 4.25Å; M373-Y403 HydrophobicContact CE-CE2 3.85Å; M373-Y403 HydrophobicContact SD-CD2 4.32Å; M373-Y403 HydrophobicContact SD-CE2 4.39Å
374Q79.4Confident76.5Confident5 Ų544.1 Ų44.12%0.02323%0.227CC..Hα-helixtrans-62.9-43.2174.2-170.3172.2-4.400110.8Y240 F370 E371 E372 L376 T377 E378Y240-Q374 HydrophobicContact CD1-CG 4.15Å; Y240-Q374 HydrophobicContact CE1-CG 4.28Å; Y240-Q374 VanDerWaalsContact CE1-NE2 3.33Å; F370-Q374 PolarHBondContact O-N 3.36Å; E371-Q374 VanDerWaalsContact O-CB 3.23Å; E371-Q374 WeakPolarHBondContact O-CB 3.28Å; E371-Q374 PolarHBondContact O-N 2.88Å; E372-Q374 PolarHBondContact O-N 3.21Å; Q374-L376 VanDerWaalsContact C-N 3.27Å; Q374-L376 PolarHBondContact O-N 2.73Å; Q374-T377 PolarHBondContact O-N 3.47Å; Q374-T377 VanDerWaalsContact O-N 3.11Å; Q374-T377 PolarHBondContact O-OG1 3.14Å; Q374-E378 HydrophobicContact CG-CG 4.3Å; Q374-E378 VanDerWaalsContact CG-OE1 3.3Å; Q374-E378 WeakPolarHBondContact CG-OE1 3.48Å; Q374-E378 VanDerWaalsContact NE2-CD 3.34Å; Q374-E378 PolarHBondContact NE2-OE1 3.41Å; Q374-E378 VanDerWaalsContact NE2-OE1 3.09Å; Q374-E378 PolarHBondContact NE2-OE2 2.68Å; Q374-E378 WeakPolarHBondContact O-CB 3.35Å; Q374-E378 PolarHBondContact O-N 3.11Å
375C78.3Confident76.2Confident3 Ų347.9 Ų47.92%0.0225%0.247CC..Hα-helixtrans-56.1-41.3173.2-600000111.8G241 E371 E372 M373 T377 C379 V390G241-C375 PolarHBondContact N-SG 3.47Å; E371-C375 PolarHBondContact O-N 2.84Å; E372-C375 VanDerWaalsContact O-CB 3.25Å; E372-C375 WeakPolarHBondContact O-CB 3.42Å; E372-C375 PolarHBondContact O-N 3.07Å; M373-C375 VanDerWaalsContact C-N 3.33Å; C375-T377 VanDerWaalsContact C-N 3.32Å; C375-T377 PolarHBondContact O-N 3.21Å; C375-C379 WeakPolarHBondContact O-CB 3.34Å; C375-C379 PolarHBondContact O-N 3.45Å; C375-C379 PolarHBondContact O-SG 3.39Å; C375-V390 HydrophobicContact CB-CG2 4.2Å
376L76.4Confident75.5Confident56 Ų5647.9 Ų47.929%0.29325%0.245SC..Hα-helixtrans-66.3-31.8178.5-64.4176.8000113.4E372 M373 Q374 F387 V390 F391 L396 L400E372-L376 PolarHBondContact O-N 2.84Å; M373-L376 PolarHBondContact O-N 3.22Å; Q374-L376 VanDerWaalsContact C-N 3.27Å; Q374-L376 PolarHBondContact O-N 2.73Å; L376-F387 HydrophobicContact CD2-CD1 4.4Å; L376-V390 HydrophobicContact CD1-CG1 4.08Å; L376-V390 HydrophobicContact CD2-CB 4.37Å; L376-V390 HydrophobicContact CD2-CG1 3.57Å; L376-V390 HydrophobicContact CG-CG1 3.69Å; L376-F391 HydrophobicContact CD2-CD1 4.4Å; L376-F391 HydrophobicContact CD2-CE1 3.89Å; L376-F391 HydrophobicContact CD2-CZ 4.1Å; L376-L396 HydrophobicContact CD1-CD2 4.39Å; L376-L400 HydrophobicContact CD1-CD1 4.33Å
377T76.6Confident74.8Confident95 Ų9547.9 Ų47.958%0.58324%0.241SC*.Hα-helixtrans-93.7-24.4-175.257.50000114.7R320 M373 Q374 C375R320-T377 PolarHBondContact NH2-OG1 2.87Å; M373-T377 WeakPolarHBondContact O-CG2 3.4Å; M373-T377 PolarHBondContact O-N 3.36Å; M373-T377 VanDerWaalsContact O-N 3.09Å; M373-T377 PolarHBondContact O-OG1 3.42Å; Q374-T377 PolarHBondContact O-N 3.47Å; Q374-T377 VanDerWaalsContact O-N 3.11Å; Q374-T377 PolarHBondContact O-OG1 3.14Å; C375-T377 VanDerWaalsContact C-N 3.32Å; C375-T377 PolarHBondContact O-N 3.21Å
378E72.1Confident74.4Confident8 Ų852.9 Ų52.94%0.03726%0.264CS..Hα-helixtrans-117-13.6-171-71.7178.1-141.700115S236 Y240 Q258 E313 R320 Q374S236-E378 WeakPolarHBondContact CB-OE2 3.43Å; S236-E378 PolarHBondContact OG-OE2 2.98Å; Y240-E378 PolarHBondContact OH-OE2 3.02Å; Q258-E378 PolarHBondContact NE2-OE2 3.42Å; E313-E378 VanDerWaalsContact OE1-OE1 3.06Å; R320-E378 IonicContact CZ-OE1 3.97Å; R320-E378 IonicContact NH1-OE1 2.87Å; R320-E378 PolarHBondContact NH1-OE1 2.81Å; R320-E378 IonicContact NH2-OE1 2.76Å; R320-E378 PolarHBondContact NH2-OE1 2.88Å; Q374-E378 HydrophobicContact CG-CG 4.3Å; Q374-E378 VanDerWaalsContact CG-OE1 3.3Å; Q374-E378 WeakPolarHBondContact CG-OE1 3.48Å; Q374-E378 VanDerWaalsContact NE2-CD 3.34Å; Q374-E378 PolarHBondContact NE2-OE1 3.41Å; Q374-E378 VanDerWaalsContact NE2-OE1 3.09Å; Q374-E378 PolarHBondContact NE2-OE2 2.68Å; Q374-E378 WeakPolarHBondContact O-CB 3.35Å; Q374-E378 PolarHBondContact O-N 3.11Å
379C69.5Low74.1Confident14 Ų1455.1 Ų55.110%0.09528%0.279CS..  trans-83.6154.1176.8-64.10000112.1C375 D383 F387C375-C379 WeakPolarHBondContact O-CB 3.34Å; C375-C379 PolarHBondContact O-N 3.45Å; C375-C379 PolarHBondContact O-SG 3.39Å; C379-D383 HydrophobicContact CB-CB 4.11Å; C379-F387 HydrophobicContact CB-CE1 4.07Å; C379-F387 HydrophobicContact CB-CE2 4.09Å; C379-F387 HydrophobicContact CB-CZ 3.63Å; C379-F387 WeakPolarHBondContact O-CZ 3.49Å
380F66.2Low73.6Confident85 Ų8555.8 Ų55.837%0.37328%0.283SS..  trans-115.3167.1179.5-65.4-87.1000111.4Q258 K382 D383 F387Q258-F380 HydrophobicContact CB-CE2 4.47Å; Q258-F380 HydrophobicContact CG-CE2 4.32Å; F380-K382 PolarHBondContact O-N 2.85Å; F380-D383 PolarHBondContact N-OD2 3.44Å; F380-D383 WeakPolarHBondContact O-CA 3.2Å; F380-D383 WeakPolarHBondContact O-CB 3.34Å; F380-D383 PolarHBondContact O-N 3.22Å; F380-F387 WeakPolarHBondContact O-CE2 3.29Å
381E61.9Low73.5Confident187 Ų18760.1 Ų60.187%0.87430%0.302SS*.G310 helixtrans-46.7-28-179.2-74.8-176.9159.200115.4D383E381-D383 PolarHBondContact O-N 2.85Å
382K65.2Low73.5Confident189 Ų18965.8 Ų65.882%0.82233%0.329SS*.G310 helixtrans-72.1-13.8177.5-67.5-175.8178.51790114.2F380 S384F380-K382 PolarHBondContact O-N 2.85Å; K382-S384 VanDerWaalsContact C-N 3.34Å
383D68.5Low73.6Confident27 Ų2767.1 Ų67.114%0.14434%0.337CS..G310 helixtrans-100.531.1180-54.6-50.4000110.7H256 C379 F380 E381 D385 L386 F387H256-D383 IonicContact CD2-OD1 2.61Å; H256-D383 IonicContact NE2-OD1 2.77Å; C379-D383 HydrophobicContact CB-CB 4.11Å; F380-D383 PolarHBondContact N-OD2 3.44Å; F380-D383 WeakPolarHBondContact O-CA 3.2Å; F380-D383 WeakPolarHBondContact O-CB 3.34Å; F380-D383 PolarHBondContact O-N 3.22Å; E381-D383 PolarHBondContact O-N 2.85Å; D383-D385 PolarHBondContact O-N 3.47Å; D383-L386 HydrophobicContact CB-CD1 3.91Å; D383-L386 HydrophobicContact CB-CG 4.47Å; D383-L386 WeakPolarHBondContact O-CB 3.47Å; D383-L386 PolarHBondContact O-N 3.32Å; D383-F387 PolarHBondContact O-N 3.09Å
384S66.7Low73.8Confident67 Ų6772.7 Ų72.747%0.46936%0.362SS..Hα-helixtrans-48.8-36.3-179.862.40000113.7K382 L386 F387 Q388K382-S384 VanDerWaalsContact C-N 3.34Å; S384-L386 PolarHBondContact O-N 3.05Å; S384-F387 PolarHBondContact O-N 3.45Å; S384-F387 VanDerWaalsContact O-N 3.17Å; S384-Q388 PolarHBondContact O-N 2.79Å
385D70.1Confident74Confident94 Ų9477.3 Ų77.350%0.50338%0.384SS..Hα-helixtrans-60.3-25.8179.1-50.1-24.5000112.8R254 D383 P389R254-D385 IonicContact CZ-OD2 3.74Å; R254-D385 IonicContact NH1-OD2 2.83Å; R254-D385 PolarHBondContact NH1-OD2 3.22Å; R254-D385 VanDerWaalsContact NH1-OD2 3.09Å; R254-D385 IonicContact NH2-OD2 2.68Å; R254-D385 PolarHBondContact NH2-OD2 3.38Å; D383-D385 PolarHBondContact O-N 3.47Å; D385-P389 WeakPolarHBondContact O-CD 3.4Å
386L68.6Low74.4Confident14 Ų1477.1 Ų77.17%0.07338%0.383CS..Hα-helixtrans-89.5-30.2178.3-61.4172.7000112.6V245 H256 D383 S384 V390V245-L386 HydrophobicContact CG1-CD2 4.18Å; H256-L386 WeakPolarHBondContact CE1-CD1 3.31Å; H256-L386 WeakPolarHBondContact NE2-CD1 3.32Å; D383-L386 HydrophobicContact CB-CD1 3.91Å; D383-L386 HydrophobicContact CB-CG 4.47Å; D383-L386 WeakPolarHBondContact O-CB 3.47Å; D383-L386 PolarHBondContact O-N 3.32Å; S384-L386 PolarHBondContact O-N 3.05Å; L386-V390 VanDerWaalsContact O-CG2 3.3Å; L386-V390 WeakPolarHBondContact O-CG2 2.98Å
387F70.7Confident74.9Confident39 Ų3978 Ų7817%0.17139%0.385CS..Hα-helixtrans-69.5-40.4178.9-77.5-61.6000111.9L376 C379 F380 D383 S384 V390 F391L376-F387 HydrophobicContact CD2-CD1 4.4Å; C379-F387 HydrophobicContact CB-CE1 4.07Å; C379-F387 HydrophobicContact CB-CE2 4.09Å; C379-F387 HydrophobicContact CB-CZ 3.63Å; C379-F387 WeakPolarHBondContact O-CZ 3.49Å; F380-F387 WeakPolarHBondContact O-CE2 3.29Å; D383-F387 PolarHBondContact O-N 3.09Å; S384-F387 PolarHBondContact O-N 3.45Å; S384-F387 VanDerWaalsContact O-N 3.17Å; F387-V390 PolarHBondContact O-N 3.32Å; F387-V390 VanDerWaalsContact O-N 3.14Å; F387-F391 HydrophobicContact CB-CD2 3.77Å; F387-F391 HydrophobicContact CB-CE2 3.64Å; F387-F391 AromaticContact CD1-CE2 3.75Å; F387-F391 HydrophobicContact CD1-CE2 3.75Å; F387-F391 HydrophobicContact CD1-CZ 4.15Å; F387-F391 AromaticContact CG-CE2 3.94Å; F387-F391 HydrophobicContact CG-CE2 3.94Å; F387-F391 WeakPolarHBondContact O-CB 3.29Å; F387-F391 WeakPolarHBondContact O-CD2 3.48Å; F387-F391 PolarHBondContact O-N 2.62Å
388Q75.4Confident75.6Confident114 Ų11477.3 Ų77.353%0.53338%0.383SS..Hα-helixtrans-59.2-49.5-172.8-179.2177.4-0.100112.5S384 V390 F391 E392S384-Q388 PolarHBondContact O-N 2.79Å; Q388-V390 VanDerWaalsContact C-N 3.28Å; Q388-V390 PolarHBondContact O-N 2.97Å; Q388-F391 PolarHBondContact O-N 3.29Å; Q388-E392 HydrophobicContact CG-CG 4.37Å; Q388-E392 WeakPolarHBondContact CG-OE1 3.31Å; Q388-E392 PolarHBondContact NE2-OE1 2.93Å; Q388-E392 WeakPolarHBondContact O-CB 3.48Å; Q388-E392 VanDerWaalsContact O-CG 3.29Å; Q388-E392 WeakPolarHBondContact O-CG 3.4Å; Q388-E392 PolarHBondContact O-N 3.45Å
389P75.8Confident76.5Confident58 Ų5877.8 Ų77.838%0.37739%0.386SS..Hα-helixtrans-60.2-37.3175.7-23.533.7000113.3D385 E392 D393D385-P389 WeakPolarHBondContact O-CD 3.4Å; P389-E392 PolarHBondContact O-N 3.46Å; P389-D393 PolarHBondContact O-N 2.99Å
390V76.3Confident77.4Confident14 Ų1479.7 Ų79.79%0.08540%0.395CS..Hα-helixtrans-72.4-37.3-178.2-178.60000111.6E372 C375 L376 L386 F387 Q388 D393 L396E372-V390 HydrophobicContact CB-CG1 4.43Å; C375-V390 HydrophobicContact CB-CG2 4.2Å; L376-V390 HydrophobicContact CD1-CG1 4.08Å; L376-V390 HydrophobicContact CD2-CB 4.37Å; L376-V390 HydrophobicContact CD2-CG1 3.57Å; L376-V390 HydrophobicContact CG-CG1 3.69Å; L386-V390 VanDerWaalsContact O-CG2 3.3Å; L386-V390 WeakPolarHBondContact O-CG2 2.98Å; F387-V390 PolarHBondContact O-N 3.32Å; F387-V390 VanDerWaalsContact O-N 3.14Å; Q388-V390 VanDerWaalsContact C-N 3.28Å; Q388-V390 PolarHBondContact O-N 2.97Å; V390-D393 PolarHBondContact O-N 3.35Å; V390-L396 HydrophobicContact CG1-CD2 3.41Å; V390-L396 VanDerWaalsContact CG1-CD2 3.41Å
391F80Confident78.6Confident120 Ų12082.4 Ų82.453%0.52641%0.409SS..Hα-helixtrans-76.7-21174.3-72.7-52.1000113.6L376 F387 Q388 D393 H397L376-F391 HydrophobicContact CD2-CD1 4.4Å; L376-F391 HydrophobicContact CD2-CE1 3.89Å; L376-F391 HydrophobicContact CD2-CZ 4.1Å; F387-F391 HydrophobicContact CB-CD2 3.77Å; F387-F391 HydrophobicContact CB-CE2 3.64Å; F387-F391 AromaticContact CD1-CE2 3.75Å; F387-F391 HydrophobicContact CD1-CE2 3.75Å; F387-F391 HydrophobicContact CD1-CZ 4.15Å; F387-F391 AromaticContact CG-CE2 3.94Å; F387-F391 HydrophobicContact CG-CE2 3.94Å; F387-F391 WeakPolarHBondContact O-CB 3.29Å; F387-F391 WeakPolarHBondContact O-CD2 3.48Å; F387-F391 PolarHBondContact O-N 2.62Å; Q388-F391 PolarHBondContact O-N 3.29Å; F391-D393 VanDerWaalsContact C-N 3.34Å; F391-H397 PolarHBondContact O-CE1 2.84Å; F391-H397 PolarHBondContact O-NE2 3.48Å
392E82.8Confident79.9Confident130 Ų13077.6 Ų77.661%0.60739%0.388SS*.Hα-helixtrans-86.6-8.5174.2-72174.4-177.500112.1Q388 P389 E394Q388-E392 HydrophobicContact CG-CG 4.37Å; Q388-E392 WeakPolarHBondContact CG-OE1 3.31Å; Q388-E392 PolarHBondContact NE2-OE1 2.93Å; Q388-E392 WeakPolarHBondContact O-CB 3.48Å; Q388-E392 VanDerWaalsContact O-CG 3.29Å; Q388-E392 WeakPolarHBondContact O-CG 3.4Å; Q388-E392 PolarHBondContact O-N 3.45Å; P389-E392 PolarHBondContact O-N 3.46Å; E392-E394 PolarHBondContact O-N 2.87Å; E392-E394 VanDerWaalsContact O-N 3.09Å
393D83.1Confident81Confident49 Ų4971 Ų7126%0.26236%0.359SS..  trans-78.494.1-179.5-163.8-35.9000111.8P389 V390 F391 H395 L396 H397P389-D393 PolarHBondContact O-N 2.99Å; V390-D393 PolarHBondContact O-N 3.35Å; F391-D393 VanDerWaalsContact C-N 3.34Å; D393-H395 PolarHBondContact O-N 3.28Å; D393-H395 WeakPolarHBondContact OD1-CA 3.44Å; D393-H395 WeakPolarHBondContact OD1-CB 3.16Å; D393-H395 PolarHBondContact OD1-N 3.48Å; D393-L396 HydrophobicContact CB-CB 3.9Å; D393-L396 PolarHBondContact O-N 3.36Å; D393-L396 PolarHBondContact OD1-N 2.92Å; D393-H397 PolarHBondContact O-N 3.46Å; D393-H397 VanDerWaalsContact O-N 3.12Å
394E85.6Confident81.8Confident158 Ų15874.6 Ų74.674%0.73838%0.378SS*.Hα-helixtrans-59.7-28.1175.1-65.7-173165.600113.1E392 C398E392-E394 PolarHBondContact O-N 2.87Å; E392-E394 VanDerWaalsContact O-N 3.09Å; E394-C398 PolarHBondContact O-N 3.31Å; E394-C398 VanDerWaalsContact O-N 3.13Å; E394-C398 PolarHBondContact O-SG 2.93Å
395H85.2Confident82.7Confident102 Ų10276.2 Ų76.247%0.47238%0.378SS..Hα-helixtrans-73.3-42.7179.2-174.267.4000111A365 D393 H397 C398 L399A365-H395 WeakPolarHBondContact CB-NE2 3.08Å; D393-H395 PolarHBondContact O-N 3.28Å; D393-H395 WeakPolarHBondContact OD1-CA 3.44Å; D393-H395 WeakPolarHBondContact OD1-CB 3.16Å; D393-H395 PolarHBondContact OD1-N 3.48Å; H395-H397 VanDerWaalsContact C-N 3.31Å; H395-H397 PolarHBondContact O-N 3.18Å; H395-C398 WeakPolarHBondContact O-CB 3.29Å; H395-C398 PolarHBondContact O-N 3.13Å; H395-L399 PolarHBondContact O-N 2.76Å
396L86Confident83.2Confident0 Ų076.9 Ų76.90%038%0.38CS..Hα-helixtrans-59.4-42.9172179.962.6000111.2E372 L376 V390 D393 C398 L399 L400E372-L396 HydrophobicContact CB-CD1 4.23Å; E372-L396 HydrophobicContact CB-CD2 3.85Å; L376-L396 HydrophobicContact CD1-CD2 4.39Å; V390-L396 HydrophobicContact CG1-CD2 3.41Å; V390-L396 VanDerWaalsContact CG1-CD2 3.41Å; D393-L396 HydrophobicContact CB-CB 3.9Å; D393-L396 PolarHBondContact O-N 3.36Å; D393-L396 PolarHBondContact OD1-N 2.92Å; L396-C398 PolarHBondContact O-N 2.99Å; L396-L399 PolarHBondContact O-N 2.77Å; L396-L399 VanDerWaalsContact O-N 3.15Å; L396-L400 HydrophobicContact CD1-CD1 4.45Å; L396-L400 HydrophobicContact CD1-CG 4.19Å; L396-L400 HydrophobicContact CG-CD1 4.08Å; L396-L400 HydrophobicContact CG-CG 4.26Å; L396-L400 VanDerWaalsContact O-CG 3.31Å; L396-L400 WeakPolarHBondContact O-CG 3.46Å; L396-L400 PolarHBondContact O-N 3.19Å
397H87.5Confident83.7Confident75 Ų7583 Ų8335%0.34741%0.413SS..Hα-helixtrans-58-47.2176.4-66.7168.2000112.3F391 D393 H395 L399 L400 E401F391-H397 PolarHBondContact O-CE1 2.84Å; F391-H397 PolarHBondContact O-NE2 3.48Å; D393-H397 PolarHBondContact O-N 3.46Å; D393-H397 VanDerWaalsContact O-N 3.12Å; H395-H397 VanDerWaalsContact C-N 3.31Å; H395-H397 PolarHBondContact O-N 3.18Å; H397-L399 VanDerWaalsContact C-N 3.29Å; H397-L399 PolarHBondContact O-N 3.29Å; H397-L400 PolarHBondContact O-N 3.37Å; H397-E401 WeakPolarHBondContact O-CG 3.48Å; H397-E401 PolarHBondContact O-N 3.28Å
398C90.8Very high84.2Confident80 Ų8085 Ų8554%0.54143%0.428SS..Hα-helixtrans-57.3-41.5174.9-68.30000112.2E394 H395 L396 L402E394-C398 PolarHBondContact O-N 3.31Å; E394-C398 VanDerWaalsContact O-N 3.13Å; E394-C398 PolarHBondContact O-SG 2.93Å; H395-C398 WeakPolarHBondContact O-CB 3.29Å; H395-C398 PolarHBondContact O-N 3.13Å; L396-C398 PolarHBondContact O-N 2.99Å; C398-L402 WeakPolarHBondContact O-CB 3.49Å; C398-L402 PolarHBondContact O-N 3.3Å
399L90.1Very high84.1Confident18 Ų1885.1 Ų85.19%0.09443%0.429CS..Hα-helixtrans-68.7-39.8178.4-72.4174.3000112.3A365 H395 L396 H397 L402 Y403A365-L399 HydrophobicContact CB-CD1 4.43Å; H395-L399 PolarHBondContact O-N 2.76Å; L396-L399 PolarHBondContact O-N 2.77Å; L396-L399 VanDerWaalsContact O-N 3.15Å; H397-L399 VanDerWaalsContact C-N 3.29Å; H397-L399 PolarHBondContact O-N 3.29Å; L399-L402 WeakPolarHBondContact O-CB 3.37Å; L399-L402 PolarHBondContact O-N 2.96Å; L399-Y403 HydrophobicContact CB-CE2 4.24Å; L399-Y403 WeakPolarHBondContact O-CD1 3.32Å; L399-Y403 WeakPolarHBondContact O-CD2 3.24Å; L399-Y403 PolarHBondContact O-N 2.86Å
400L89.6Confident83.5Confident54 Ų5486.7 Ų86.728%0.28344%0.441SS..Hα-helixtrans-64.3-42.9176.3-69.7177.2000111.8M373 L376 L396 H397 L402 Y403 D404M373-L400 HydrophobicContact CG-CD2 3.7Å; M373-L400 HydrophobicContact SD-CD2 3.46Å; M373-L400 WeakPolarHBondContact SD-CD2 3.49Å; L376-L400 HydrophobicContact CD1-CD1 4.33Å; L396-L400 HydrophobicContact CD1-CD1 4.45Å; L396-L400 HydrophobicContact CD1-CG 4.19Å; L396-L400 HydrophobicContact CG-CD1 4.08Å; L396-L400 HydrophobicContact CG-CG 4.26Å; L396-L400 VanDerWaalsContact O-CG 3.31Å; L396-L400 WeakPolarHBondContact O-CG 3.46Å; L396-L400 PolarHBondContact O-N 3.19Å; H397-L400 PolarHBondContact O-N 3.37Å; L400-L402 VanDerWaalsContact C-N 3.31Å; L400-L402 PolarHBondContact O-N 3.27Å; L400-Y403 HydrophobicContact CD2-CD2 4.31Å; L400-Y403 PolarHBondContact O-N 3.13Å; L400-D404 PolarHBondContact O-N 3.25Å
401E90.5Very high82.7Confident141 Ų14188.5 Ų88.566%0.65945%0.453SS*.Hα-helixtrans-61.7-40.5173-72.1-179.5176.600111.5H397 D404 H405H397-E401 WeakPolarHBondContact O-CG 3.48Å; H397-E401 PolarHBondContact O-N 3.28Å; E401-D404 PolarHBondContact O-N 3Å; E401-H405 WeakPolarHBondContact O-CB 3.23Å; E401-H405 PolarHBondContact O-N 3.41Å
402L88.9Confident81.6Confident86 Ų8685.2 Ų85.245%0.4545%0.453SS..Hα-helixtrans-63.3-42.9174.6178.662.3000111.8C398 L399 L400 H405 I406C398-L402 WeakPolarHBondContact O-CB 3.49Å; C398-L402 PolarHBondContact O-N 3.3Å; L399-L402 WeakPolarHBondContact O-CB 3.37Å; L399-L402 PolarHBondContact O-N 2.96Å; L400-L402 VanDerWaalsContact C-N 3.31Å; L400-L402 PolarHBondContact O-N 3.27Å; L402-H405 WeakPolarHBondContact O-CB 3.48Å; L402-H405 PolarHBondContact O-N 3.16Å; L402-I406 HydrophobicContact CD1-CD1 4.1Å; L402-I406 HydrophobicContact CD1-CG1 4.31Å; L402-I406 HydrophobicContact CG-CD1 3.9Å; L402-I406 VanDerWaalsContact O-CG1 3.25Å; L402-I406 WeakPolarHBondContact O-CG1 3.3Å; L402-I406 PolarHBondContact O-N 3.27Å
403Y88.4Confident80.3Confident52 Ų5281 Ų8120%0.20444%0.438CS..Hα-helixtrans-64.8-41.1177.3-61.1-23.5000111.9S369 M373 L399 L400 H405 I406 N407S369-Y403 PolarHBondContact OG-OH 2.89Å; M373-Y403 HydrophobicContact CE-CD2 4.25Å; M373-Y403 HydrophobicContact CE-CE2 3.85Å; M373-Y403 HydrophobicContact SD-CD2 4.32Å; M373-Y403 HydrophobicContact SD-CE2 4.39Å; L399-Y403 HydrophobicContact CB-CE2 4.24Å; L399-Y403 WeakPolarHBondContact O-CD1 3.32Å; L399-Y403 WeakPolarHBondContact O-CD2 3.24Å; L399-Y403 PolarHBondContact O-N 2.86Å; L400-Y403 HydrophobicContact CD2-CD2 4.31Å; L400-Y403 PolarHBondContact O-N 3.13Å; Y403-H405 VanDerWaalsContact C-N 3.35Å; Y403-I406 PolarHBondContact O-N 3.49Å; Y403-N407 VanDerWaalsContact O-CB 3.27Å; Y403-N407 WeakPolarHBondContact O-CB 3.4Å; Y403-N407 PolarHBondContact O-N 2.62Å
404D86.1Confident78.9Confident101 Ų10184 Ų8454%0.5445%0.454SS..Hα-helixtrans-62.3-43.6173.3-172.761.2000111L400 E401 I406 N407 T408L400-D404 PolarHBondContact O-N 3.25Å; E401-D404 PolarHBondContact O-N 3Å; D404-I406 PolarHBondContact O-N 3.26Å; D404-N407 PolarHBondContact O-N 3.2Å; D404-T408 WeakPolarHBondContact O-CB 3.41Å; D404-T408 VanDerWaalsContact O-CG2 3.3Å; D404-T408 WeakPolarHBondContact O-CG2 3.09Å; D404-T408 PolarHBondContact O-N 3.19Å; D404-T408 PolarHBondContact O-OG1 2.9Å
405H85Confident77.9Confident102 Ų10281.2 Ų81.247%0.47244%0.44SS..Hα-helixtrans-60.3-46.3175.8-170.176000112.1E401 L402 Y403 N407 T408 H409E401-H405 WeakPolarHBondContact O-CB 3.23Å; E401-H405 PolarHBondContact O-N 3.41Å; L402-H405 WeakPolarHBondContact O-CB 3.48Å; L402-H405 PolarHBondContact O-N 3.16Å; Y403-H405 VanDerWaalsContact C-N 3.35Å; H405-N407 VanDerWaalsContact C-N 3.3Å; H405-N407 PolarHBondContact O-N 3Å; H405-T408 WeakPolarHBondContact CA-OG1 3.13Å; H405-T408 PolarHBondContact O-N 3.39Å; H405-T408 PolarHBondContact O-OG1 3.22Å; H405-H409 AromaticContact CE1-CD2 3.14Å; H405-H409 PolarHBondContact CE1-CD2 2.97Å; H405-H409 AromaticContact CE1-CG 3.71Å; H405-H409 AromaticContact CE1-NE2 3.49Å; H405-H409 PolarHBondContact CE1-NE2 2.84Å; H405-H409 AromaticContact CG-CD2 3.82Å; H405-H409 AromaticContact ND1-CD2 3.11Å; H405-H409 PolarHBondContact ND1-CD2 2.88Å; H405-H409 AromaticContact ND1-NE2 3.55Å; H405-H409 AromaticContact NE2-CD2 3.84Å; H405-H409 VanDerWaalsContact O-CB 3.29Å; H405-H409 WeakPolarHBondContact O-CB 3.29Å; H405-H409 PolarHBondContact O-CD2 2.78Å; H405-H409 PolarHBondContact O-N 3.25Å
406I81.6Confident77Confident108 Ų10884.1 Ų84.155%0.55445%0.453SS*.Hα-helixtrans-62-39.7176.7-69.1164.5000111.1L402 Y403 D404L402-I406 HydrophobicContact CD1-CD1 4.1Å; L402-I406 HydrophobicContact CD1-CG1 4.31Å; L402-I406 HydrophobicContact CG-CD1 3.9Å; L402-I406 VanDerWaalsContact O-CG1 3.25Å; L402-I406 WeakPolarHBondContact O-CG1 3.3Å; L402-I406 PolarHBondContact O-N 3.27Å; Y403-I406 PolarHBondContact O-N 3.49Å; D404-I406 PolarHBondContact O-N 3.26Å
407N79Confident76.4Confident141 Ų14184.5 Ų84.575%0.75446%0.455SS*.Hα-helixtrans-75.1-27.9-178-168.749.1000112.9Y403 D404 H405Y403-N407 VanDerWaalsContact O-CB 3.27Å; Y403-N407 WeakPolarHBondContact O-CB 3.4Å; Y403-N407 PolarHBondContact O-N 2.62Å; D404-N407 PolarHBondContact O-N 3.2Å; H405-N407 VanDerWaalsContact C-N 3.3Å; H405-N407 PolarHBondContact O-N 3Å
408T80.7Confident76.1Confident81 Ų8183.9 Ų83.950%0.49746%0.458SS..Hα-helixtrans-92.5-29.7-179.953.30000113.1D404 H405D404-T408 WeakPolarHBondContact O-CB 3.41Å; D404-T408 VanDerWaalsContact O-CG2 3.3Å; D404-T408 WeakPolarHBondContact O-CG2 3.09Å; D404-T408 PolarHBondContact O-N 3.19Å; D404-T408 PolarHBondContact O-OG1 2.9Å; H405-T408 WeakPolarHBondContact CA-OG1 3.13Å; H405-T408 PolarHBondContact O-N 3.39Å; H405-T408 PolarHBondContact O-OG1 3.22Å
409H72.5Confident75.7Confident117 Ų11782 Ų8254%0.54245%0.449SS..  trans-107.996.3-179.5-67.2-83.7000111.6H405H405-H409 AromaticContact CE1-CD2 3.14Å; H405-H409 PolarHBondContact CE1-CD2 2.97Å; H405-H409 AromaticContact CE1-CG 3.71Å; H405-H409 AromaticContact CE1-NE2 3.49Å; H405-H409 PolarHBondContact CE1-NE2 2.84Å; H405-H409 AromaticContact CG-CD2 3.82Å; H405-H409 AromaticContact ND1-CD2 3.11Å; H405-H409 PolarHBondContact ND1-CD2 2.88Å; H405-H409 AromaticContact ND1-NE2 3.55Å; H405-H409 AromaticContact NE2-CD2 3.84Å; H405-H409 VanDerWaalsContact O-CB 3.29Å; H405-H409 WeakPolarHBondContact O-CB 3.29Å; H405-H409 PolarHBondContact O-CD2 2.78Å; H405-H409 PolarHBondContact O-N 3.25Å
410S63.6Low75.6Confident92 Ų9283.8 Ų83.864%0.64346%0.458SS*.PPolyproline II helixtrans-89.9122.6167.9-170.60000109.8G412S410-G412 PolarHBondContact O-N 3.47Å
411P59.4Low75.5Confident51 Ų5181.9 Ų81.933%0.33145%0.45SS..PPolyproline II helixtrans-61.6134168.525.1-31.3000109.1F415 Y471P411-F415 HydrophobicContact CB-CB 4.07Å; P411-F415 HydrophobicContact CB-CD1 4.04Å; P411-F415 HydrophobicContact CB-CD2 4.14Å; P411-F415 HydrophobicContact CB-CG 3.83Å; P411-Y471 WeakPolarHBondContact CG-OH 3.47Å
412G57.9Low75.4Confident51 Ų5176.7 Ų76.753%0.52643%0.428SS..PPolyproline II helixtrans-57.1161.3-179.300000112.9S410 D414 F415S410-G412 PolarHBondContact O-N 3.47Å; G412-D414 PolarHBondContact O-N 3.3Å; G412-F415 VanDerWaalsContact O-CB 3.27Å; G412-F415 WeakPolarHBondContact O-CB 3.35Å; G412-F415 PolarHBondContact O-N 3.35Å
413S54.8Low75.3Confident41 Ų4177.5 Ų77.529%0.28743%0.43SS..THydrogen-bonded Turntrans-52.4-29.5-176.8510000116.4F415 P482 S484S413-F415 VanDerWaalsContact C-N 3.3Å; S413-P482 WeakPolarHBondContact CA-O 3.37Å; S413-P482 WeakPolarHBondContact CB-O 3.28Å; S413-S484 VanDerWaalsContact CB-CA 3.5Å; S413-S484 VanDerWaalsContact CB-N 3.31Å; S413-S484 WeakPolarHBondContact OG-CA 3.49Å; S413-S484 VanDerWaalsContact OG-CB 3.31Å; S413-S484 WeakPolarHBondContact OG-CB 3.37Å
414D54.8Low75.3Confident113 Ų11378.9 Ų78.960%0.60444%0.44SS*.THydrogen-bonded Turntrans-93.818.5-177-66-47000112.8G412 H416 S484G412-D414 PolarHBondContact O-N 3.3Å; D414-H416 VanDerWaalsContact C-N 3.31Å; D414-H416 PolarHBondContact O-N 2.9Å; D414-S484 WeakPolarHBondContact OD1-CB 3.49Å; D414-S484 PolarHBondContact OD1-OG 3.2Å
415F62.8Low75.5Confident100 Ų10075.7 Ų75.744%0.43942%0.42SS..  trans-70.488175.8-162.5-111.8000110.3P411 G412 S413 V417 Y471P411-F415 HydrophobicContact CB-CB 4.07Å; P411-F415 HydrophobicContact CB-CD1 4.04Å; P411-F415 HydrophobicContact CB-CD2 4.14Å; P411-F415 HydrophobicContact CB-CG 3.83Å; G412-F415 VanDerWaalsContact O-CB 3.27Å; G412-F415 WeakPolarHBondContact O-CB 3.35Å; G412-F415 PolarHBondContact O-N 3.35Å; S413-F415 VanDerWaalsContact C-N 3.3Å; F415-V417 HydrophobicContact CD1-CG2 3.22Å; F415-V417 HydrophobicContact CE1-CG2 3.15Å; F415-V417 HydrophobicContact CG-CG2 4.19Å; F415-V417 HydrophobicContact CZ-CG2 4.05Å; F415-Y471 HydrophobicContact CB-CE1 4.23Å; F415-Y471 HydrophobicContact CD1-CE1 4.05Å; F415-Y471 HydrophobicContact CD1-CE2 4.03Å; F415-Y471 AromaticContact CD1-CZ 3.78Å; F415-Y471 HydrophobicContact CE1-CE2 4.44Å; F415-Y471 WeakPolarHBondContact O-CD1 3.27Å
416H68.2Low75.6Confident162 Ų16271.3 Ų71.375%0.7540%0.401SS*.  trans-87.7120169.5-167.6-73.1000109.2D414D414-H416 VanDerWaalsContact C-N 3.31Å; D414-H416 PolarHBondContact O-N 2.9Å
417V72.3Confident76Confident8 Ų871.7 Ų71.75%0.04840%0.399CS..  trans-107.6118.7-177-168.30000107.4F415 Y463 A467 Y471F415-V417 HydrophobicContact CD1-CG2 3.22Å; F415-V417 HydrophobicContact CE1-CG2 3.15Å; F415-V417 HydrophobicContact CG-CG2 4.19Å; F415-V417 HydrophobicContact CZ-CG2 4.05Å; V417-Y463 HydrophobicContact CG1-CD1 3.91Å; V417-Y463 HydrophobicContact CG1-CD2 4.04Å; V417-Y463 HydrophobicContact CG1-CE1 3.31Å; V417-Y463 HydrophobicContact CG1-CE2 3.43Å; V417-Y463 VanDerWaalsContact CG1-CE2 3.43Å; V417-Y463 HydrophobicContact CG1-CG 4.27Å; V417-Y463 VanDerWaalsContact CG1-OH 3.23Å; V417-Y463 WeakPolarHBondContact CG1-OH 3.45Å; V417-A467 HydrophobicContact CB-CB 3.72Å; V417-A467 HydrophobicContact CG1-CB 3.66Å; V417-Y471 HydrophobicContact CG2-CD2 3.77Å; V417-Y471 HydrophobicContact CG2-CE2 4.2Å; V417-Y471 HydrophobicContact CG2-CG 4.12Å
418P80.4Confident76.5Confident62 Ų6267.7 Ų67.740%0.40338%0.38SS..  trans-56.4138.6169.5-22.433.7000110.4D420 Y463P418-D420 WeakPolarHBondContact CB-OD1 3.49Å; P418-Y463 WeakPolarHBondContact O-CE1 3.4Å
419A83.5Confident76.9Confident41 Ų4164.4 Ų64.434%0.33936%0.359SS..SBendtrans-10737.4-179.700000111.6D464 A467 Q468A419-D464 WeakPolarHBondContact CA-OD1 3.49Å; A419-A467 HydrophobicContact CB-CB 3.76Å; A419-Q468 HydrophobicContact CB-CG 3.63Å
420D87.5Confident77.6Confident56 Ų5662.7 Ų62.730%0.29936%0.357SS..  trans-127.518.3-175.465.8-20.1000112.3P418 T422 E423 I424 D464P418-D420 WeakPolarHBondContact CB-OD1 3.49Å; D420-T422 VanDerWaalsContact C-N 3.35Å; D420-T422 PolarHBondContact O-N 3.43Å; D420-E423 HydrophobicContact CB-CB 4.32Å; D420-E423 PolarHBondContact O-N 3.03Å; D420-I424 WeakPolarHBondContact O-CB 3.42Å; D420-I424 VanDerWaalsContact O-CG1 3.25Å; D420-I424 WeakPolarHBondContact O-CG1 3.49Å; D420-I424 PolarHBondContact O-N 3.38Å; D420-D464 PolarHBondContact N-OD1 3.06Å; D420-D464 VanDerWaalsContact N-OD1 3.15Å
421A88.5Confident78.8Confident13 Ų1363.4 Ų63.411%0.10735%0.35CS..Hα-helixtrans-62.4-41.8-177.200000112W425 L460 Y463 D464A421-W425 WeakPolarHBondContact O-CB 3.32Å; A421-W425 PolarHBondContact O-N 3.3Å; A421-L460 HydrophobicContact CB-CB 4.25Å; A421-L460 HydrophobicContact CB-CD2 4.12Å; A421-Y463 HydrophobicContact CB-CD1 3.71Å; A421-Y463 HydrophobicContact CB-CE1 4.26Å; A421-D464 VanDerWaalsContact CB-OD1 3.26Å; A421-D464 WeakPolarHBondContact CB-OD1 3.11Å; A421-D464 PolarHBondContact N-OD1 3.49Å; A421-D464 PolarHBondContact N-OD2 3.15Å
422T86.9Confident80.1Confident32 Ų3261.7 Ų61.720%0.19634%0.338CS..Hα-helixtrans-65.7-39.7173.652.20000112.1F339 D420 W425 A426 L460 Q461 D464F339-T422 HydrophobicContact CD1-CG2 4.25Å; D420-T422 VanDerWaalsContact C-N 3.35Å; D420-T422 PolarHBondContact O-N 3.43Å; T422-W425 PolarHBondContact O-N 3.47Å; T422-A426 PolarHBondContact O-N 2.76Å; T422-L460 HydrophobicContact CG2-CB 4.34Å; T422-Q461 HydrophobicContact CG2-CB 4.25Å; T422-D464 VanDerWaalsContact CB-OD2 3.27Å; T422-D464 WeakPolarHBondContact CB-OD2 3.3Å; T422-D464 VanDerWaalsContact CG2-OD2 3.26Å; T422-D464 WeakPolarHBondContact CG2-OD2 3.23Å; T422-D464 PolarHBondContact N-OD2 3.49Å; T422-D464 PolarHBondContact OG1-OD2 2.92Å
423E87Confident81.4Confident104 Ų10462.6 Ų62.649%0.48634%0.336SS..Hα-helixtrans-66-43.5176.2-169.3-169.9157.700111.7D420 A426 K427D420-E423 HydrophobicContact CB-CB 4.32Å; D420-E423 PolarHBondContact O-N 3.03Å; E423-A426 WeakPolarHBondContact O-CB 3.2Å; E423-A426 PolarHBondContact O-N 3.21Å; E423-K427 WeakPolarHBondContact O-CG 3.37Å; E423-K427 PolarHBondContact O-N 3.29Å; E423-K427 WeakPolarHBondContact OE1-CE 3.49Å; E423-K427 IonicContact OE1-NZ 3.52Å; E423-K427 PolarHBondContact OE1-NZ 3.45Å
424I89.4Confident82.8Confident81 Ų8166 Ų6642%0.41535%0.35SS..Hα-helixtrans-62.2-45.8175.9-70167.1000109.9D420 A426 K427 V428D420-I424 WeakPolarHBondContact O-CB 3.42Å; D420-I424 VanDerWaalsContact O-CG1 3.25Å; D420-I424 WeakPolarHBondContact O-CG1 3.49Å; D420-I424 PolarHBondContact O-N 3.38Å; I424-A426 VanDerWaalsContact C-N 3.33Å; I424-A426 PolarHBondContact O-N 2.88Å; I424-K427 WeakPolarHBondContact O-CB 3.29Å; I424-K427 PolarHBondContact O-N 3.02Å; I424-V428 HydrophobicContact CG2-CG2 4.27Å; I424-V428 VanDerWaalsContact O-CG2 3.32Å; I424-V428 WeakPolarHBondContact O-CG2 3.48Å; I424-V428 PolarHBondContact O-N 3.01Å
425W88.8Confident84.1Confident33 Ų3364.1 Ų64.113%0.12534%0.34CS..Hα-helixtrans-56.7-45.9176.7164.890.3000112.4L346 A421 T422 K427 V428 L429 M451 R457 L460L346-W425 HydrophobicContact CD1-CH2 4.2Å; A421-W425 WeakPolarHBondContact O-CB 3.32Å; A421-W425 PolarHBondContact O-N 3.3Å; T422-W425 PolarHBondContact O-N 3.47Å; W425-K427 PolarHBondContact O-N 3.32Å; W425-V428 PolarHBondContact O-N 3.25Å; W425-L429 HydrophobicContact CD2-CD1 4Å; W425-L429 HydrophobicContact CE3-CD1 4.43Å; W425-L429 HydrophobicContact CH2-CD1 3.75Å; W425-L429 HydrophobicContact CZ2-CD1 3.22Å; W425-L429 HydrophobicContact CZ2-CG 4.45Å; W425-L429 HydrophobicContact CZ3-CD1 4.32Å; W425-L429 PolarHBondContact O-N 3.46Å; W425-M451 HydrophobicContact CG-CE 4.14Å; W425-M451 PolarHBondContact NE1-O 3.02Å; W425-R457 HydrophobicContact CH2-CG 4.37Å; W425-R457 HydrophobicContact CZ2-CG 3.85Å; W425-R457 VanDerWaalsContact CZ2-NE 3.29Å; W425-L460 HydrophobicContact CB-CD1 3.49Å; W425-L460 VanDerWaalsContact CB-CD1 3.49Å; W425-L460 HydrophobicContact CG-CD1 3.66Å
426A87.3Confident84.4Confident10 Ų1063 Ų638%0.08334%0.338CS..Hα-helixtrans-59.8-44175.600000112.7I345 T422 E423 I424 L429 T430I345-A426 HydrophobicContact CD1-CB 3.4Å; I345-A426 VanDerWaalsContact CD1-CB 3.4Å; I345-A426 HydrophobicContact CG2-CB 4.37Å; T422-A426 PolarHBondContact O-N 2.76Å; E423-A426 WeakPolarHBondContact O-CB 3.2Å; E423-A426 PolarHBondContact O-N 3.21Å; I424-A426 VanDerWaalsContact C-N 3.33Å; I424-A426 PolarHBondContact O-N 2.88Å; A426-L429 PolarHBondContact O-N 2.93Å; A426-T430 PolarHBondContact O-N 3.36Å; A426-T430 PolarHBondContact O-OG1 2.9Å
427K90.4Very high84.5Confident116 Ų11665 Ų6550%0.50435%0.345SS..Hα-helixtrans-61.9-44.1175.4-72.1170.7-175.8164.60111.5E423 I424 W425 T430 E431E423-K427 WeakPolarHBondContact O-CG 3.37Å; E423-K427 PolarHBondContact O-N 3.29Å; E423-K427 WeakPolarHBondContact OE1-CE 3.49Å; E423-K427 IonicContact OE1-NZ 3.52Å; E423-K427 PolarHBondContact OE1-NZ 3.45Å; I424-K427 WeakPolarHBondContact O-CB 3.29Å; I424-K427 PolarHBondContact O-N 3.02Å; W425-K427 PolarHBondContact O-N 3.32Å; K427-T430 WeakPolarHBondContact O-CB 3.11Å; K427-T430 PolarHBondContact O-N 2.9Å; K427-E431 PolarHBondContact O-N 2.66Å
428V90.1Very high84.6Confident57 Ų5767.8 Ų67.835%0.34536%0.362SS..Hα-helixtrans-63.2-44.1177.9172.80000111I424 W425 T430 E431 L432 M451I424-V428 HydrophobicContact CG2-CG2 4.27Å; I424-V428 VanDerWaalsContact O-CG2 3.32Å; I424-V428 WeakPolarHBondContact O-CG2 3.48Å; I424-V428 PolarHBondContact O-N 3.01Å; W425-V428 PolarHBondContact O-N 3.25Å; V428-T430 VanDerWaalsContact C-N 3.28Å; V428-T430 PolarHBondContact O-N 3.42Å; V428-E431 PolarHBondContact O-N 3.36Å; V428-L432 HydrophobicContact CG1-CD1 3.87Å; V428-L432 HydrophobicContact CG1-CG 4.19Å; V428-L432 WeakPolarHBondContact O-CB 3.46Å; V428-L432 VanDerWaalsContact O-CG 3.25Å; V428-L432 WeakPolarHBondContact O-CG 3.37Å; V428-L432 PolarHBondContact O-N 2.95Å; V428-M451 HydrophobicContact CB-CE 3.93Å; V428-M451 HydrophobicContact CG1-CE 3.61Å; V428-M451 HydrophobicContact CG1-SD 3.82Å
429L88.5Confident84.6Confident12 Ų1274.6 Ų74.66%0.06339%0.388CS..Hα-helixtrans-61.7-36.9175.7-78.4-178.4000112.8W425 A426 S433 K448 M451 K452W425-L429 HydrophobicContact CD2-CD1 4Å; W425-L429 HydrophobicContact CE3-CD1 4.43Å; W425-L429 HydrophobicContact CH2-CD1 3.75Å; W425-L429 HydrophobicContact CZ2-CD1 3.22Å; W425-L429 HydrophobicContact CZ2-CG 4.45Å; W425-L429 HydrophobicContact CZ3-CD1 4.32Å; W425-L429 PolarHBondContact O-N 3.46Å; A426-L429 PolarHBondContact O-N 2.93Å; L429-S433 WeakPolarHBondContact O-CB 3.32Å; L429-S433 PolarHBondContact O-N 3.21Å; L429-S433 VanDerWaalsContact O-N 3.1Å; L429-S433 PolarHBondContact O-OG 3.44Å; L429-K448 HydrophobicContact CD2-CB 4.43Å; L429-K448 HydrophobicContact CD2-CG 4.09Å; L429-M451 HydrophobicContact CD2-CB 4.01Å; L429-M451 HydrophobicContact CD2-CE 4.38Å; L429-M451 HydrophobicContact CD2-SD 4.33Å; L429-M451 HydrophobicContact CG-CE 4.24Å; L429-K452 HydrophobicContact CD1-CG 4.42Å; L429-K452 HydrophobicContact CD2-CG 4.47Å
430T87.9Confident84.5Confident82 Ų8278.5 Ų78.550%0.50340%0.401SS..Hα-helixtrans-64.3-47.5175.3-56.80000110.6A426 K427 V428 S433 I434A426-T430 PolarHBondContact O-N 3.36Å; A426-T430 PolarHBondContact O-OG1 2.9Å; K427-T430 WeakPolarHBondContact O-CB 3.11Å; K427-T430 PolarHBondContact O-N 2.9Å; V428-T430 VanDerWaalsContact C-N 3.28Å; V428-T430 PolarHBondContact O-N 3.42Å; T430-S433 WeakPolarHBondContact O-CB 3.44Å; T430-S433 PolarHBondContact O-N 3.36Å; T430-S433 VanDerWaalsContact O-N 3.11Å; T430-I434 PolarHBondContact O-N 3.29Å
431E88.2Confident84.3Confident106 Ų10677.5 Ų77.550%0.49540%0.4SS..Hα-helixtrans-65.7-41.9179.5-165.460.9-151.700112.2K427 V428 S433 I434 L435K427-E431 PolarHBondContact O-N 2.66Å; V428-E431 PolarHBondContact O-N 3.36Å; E431-S433 PolarHBondContact O-N 2.86Å; E431-I434 WeakPolarHBondContact O-CB 3.43Å; E431-I434 PolarHBondContact O-N 3.33Å; E431-L435 PolarHBondContact O-N 3.2Å; E431-L435 VanDerWaalsContact O-N 3.17Å
432L87.4Confident84.3Confident16 Ų1681.2 Ų81.28%0.08443%0.426CS..Hα-helixtrans-60.4-29.9173.4-71.6175.1000112V428 I434 L435 V444 L447 K448 M451V428-L432 HydrophobicContact CG1-CD1 3.87Å; V428-L432 HydrophobicContact CG1-CG 4.19Å; V428-L432 WeakPolarHBondContact O-CB 3.46Å; V428-L432 VanDerWaalsContact O-CG 3.25Å; V428-L432 WeakPolarHBondContact O-CG 3.37Å; V428-L432 PolarHBondContact O-N 2.95Å; L432-I434 VanDerWaalsContact C-N 3.32Å; L432-L435 HydrophobicContact CD2-CD1 4.47Å; L432-L435 PolarHBondContact O-N 3.33Å; L432-V444 HydrophobicContact CB-CG1 4.1Å; L432-V444 HydrophobicContact CD2-CG1 4.19Å; L432-V444 HydrophobicContact CD2-CG2 4.43Å; L432-V444 WeakPolarHBondContact O-CG1 3.38Å; L432-L447 HydrophobicContact CD1-CD2 3.76Å; L432-L447 HydrophobicContact CD1-CG 3.96Å; L432-L447 HydrophobicContact CD2-CD2 3.95Å; L432-K448 VanDerWaalsContact C-CE 3.43Å; L432-K448 HydrophobicContact CB-CD 4.45Å; L432-K448 HydrophobicContact CB-CG 4.05Å; L432-K448 HydrophobicContact CD1-CG 4.1Å; L432-K448 WeakPolarHBondContact O-CE 3.3Å; L432-K448 PolarHBondContact O-NZ 3.37Å; L432-M451 HydrophobicContact CD1-SD 3.82Å
433S84.4Confident84.3Confident70 Ų7083.4 Ų83.449%0.4944%0.439SS..Hα-helixtrans-71-29.3176.1-60.80000112.8L429 T430 E431 K448L429-S433 WeakPolarHBondContact O-CB 3.32Å; L429-S433 PolarHBondContact O-N 3.21Å; L429-S433 VanDerWaalsContact O-N 3.1Å; L429-S433 PolarHBondContact O-OG 3.44Å; T430-S433 WeakPolarHBondContact O-CB 3.44Å; T430-S433 PolarHBondContact O-N 3.36Å; T430-S433 VanDerWaalsContact O-N 3.11Å; E431-S433 PolarHBondContact O-N 2.86Å; S433-K448 WeakPolarHBondContact OG-CE 3.34Å
434I85Confident84.4Confident113 Ų11378.9 Ų78.958%0.57942%0.419SS*.Hα-helixtrans-73-37.1174.2-59.3169.4000110.7T430 E431 L432 N436T430-I434 PolarHBondContact O-N 3.29Å; E431-I434 WeakPolarHBondContact O-CB 3.43Å; E431-I434 PolarHBondContact O-N 3.33Å; L432-I434 VanDerWaalsContact C-N 3.32Å; I434-N436 VanDerWaalsContact C-N 3.25Å; I434-N436 PolarHBondContact O-N 2.72Å
435L81.9Confident84.4Confident72 Ų7279.8 Ų79.838%0.37742%0.421SS..G310 helixtrans-73.5-5-177-68.3172.8000115.4E431 L432 K437 T438 V444E431-L435 PolarHBondContact O-N 3.2Å; E431-L435 VanDerWaalsContact O-N 3.17Å; L432-L435 HydrophobicContact CD2-CD1 4.47Å; L432-L435 PolarHBondContact O-N 3.33Å; L435-K437 PolarHBondContact O-N 3.16Å; L435-T438 PolarHBondContact O-N 2.99Å; L435-T438 PolarHBondContact O-OG1 3.17Å; L435-V444 HydrophobicContact CB-CG2 4.31Å
436N68.7Low84.4Confident77 Ų7783.1 Ų83.141%0.41244%0.438SS..G310 helixtrans-62-2.6-175.2-158.713.2000115I434I434-N436 VanDerWaalsContact C-N 3.25Å; I434-N436 PolarHBondContact O-N 2.72Å
437K70.3Confident84.6Confident203 Ų20386.5 Ų86.588%0.88345%0.454SS*.G310 helixtrans-104.816.4179.2-63.8-176.9-179.3175.60114L435L435-K437 PolarHBondContact O-N 3.16Å
438T75.1Confident84.5Confident67 Ų6781.6 Ų81.641%0.41143%0.433SS..SBendtrans-105.9167.6-177.459.70000112.1L435 M440 A441L435-T438 PolarHBondContact O-N 2.99Å; L435-T438 PolarHBondContact O-OG1 3.17Å; T438-M440 PolarHBondContact O-N 2.69Å; T438-A441 PolarHBondContact O-N 3.2Å; T438-A441 VanDerWaalsContact O-N 3.1Å
439E80Confident84.4Confident205 Ų20584.9 Ų84.996%0.95844%0.443SS*.THydrogen-bonded Turntrans-57.7-13.7173.9-66.4-179.9167.400113.3
440M81.7Confident84.5Confident124 Ų12490.4 Ų90.461%0.61146%0.464SS*.THydrogen-bonded Turntrans-96.415.8177.7-60.7-150.8-71.200114.1T438 S442 T443 V444T438-M440 PolarHBondContact O-N 2.69Å; M440-S442 PolarHBondContact O-N 2.62Å; M440-S442 VanDerWaalsContact O-N 3.13Å; M440-T443 PolarHBondContact O-N 3.01Å; M440-V444 WeakPolarHBondContact O-CG2 3.48Å; M440-V444 PolarHBondContact O-N 3.09Å
441A83.5Confident84.5Confident34 Ų3487.3 Ų87.328%0.28144%0.444SS..Hα-helixtrans-51.6-39.5-176.100000113.6T438 V444 E445T438-A441 PolarHBondContact O-N 3.2Å; T438-A441 VanDerWaalsContact O-N 3.1Å; A441-V444 PolarHBondContact O-N 3.36Å; A441-E445 WeakPolarHBondContact O-CB 3.27Å; A441-E445 PolarHBondContact O-N 3.24Å
442S86.8Confident84.4Confident92 Ų9286.5 Ų86.564%0.64344%0.439SS*.Hα-helixtrans-64-44.7177.757.20000112.9M440 E445 E446M440-S442 PolarHBondContact O-N 2.62Å; M440-S442 VanDerWaalsContact O-N 3.13Å; S442-E445 PolarHBondContact O-N 3.36Å; S442-E446 WeakPolarHBondContact O-CB 3.44Å; S442-E446 PolarHBondContact O-N 3.18Å
443T88.5Confident84.3Confident77 Ų7788.9 Ų88.947%0.47245%0.449SS..Hα-helixtrans-69.7-36179.7-53.50000111.6M440 E445 E446 L447M440-T443 PolarHBondContact O-N 3.01Å; T443-E445 VanDerWaalsContact C-N 3.34Å; T443-E446 PolarHBondContact O-N 3.26Å; T443-L447 WeakPolarHBondContact O-CB 3.34Å; T443-L447 PolarHBondContact O-N 3.35Å
444V89.2Confident84.1Confident10 Ų1086.2 Ų86.26%0.06143%0.431CS..Hα-helixtrans-63.2-42.7174.6168.70000110.9L432 L435 M440 A441 L447 K448L432-V444 HydrophobicContact CB-CG1 4.1Å; L432-V444 HydrophobicContact CD2-CG1 4.19Å; L432-V444 HydrophobicContact CD2-CG2 4.43Å; L432-V444 WeakPolarHBondContact O-CG1 3.38Å; L435-V444 HydrophobicContact CB-CG2 4.31Å; M440-V444 WeakPolarHBondContact O-CG2 3.48Å; M440-V444 PolarHBondContact O-N 3.09Å; A441-V444 PolarHBondContact O-N 3.36Å; V444-L447 PolarHBondContact O-N 3.23Å; V444-K448 HydrophobicContact CG1-CD 4.33Å; V444-K448 WeakPolarHBondContact O-CG 3.38Å; V444-K448 PolarHBondContact O-N 3.11Å
445E87.8Confident84Confident99 Ų9987.1 Ų87.146%0.46343%0.432SS..Hα-helixtrans-70.5-38.3179.9-158.561.2-164.800112A441 S442 T443 K448 F449A441-E445 WeakPolarHBondContact O-CB 3.27Å; A441-E445 PolarHBondContact O-N 3.24Å; S442-E445 PolarHBondContact O-N 3.36Å; T443-E445 VanDerWaalsContact C-N 3.34Å; E445-K448 PolarHBondContact O-N 2.62Å; E445-K448 WeakPolarHBondContact OE2-CD 3.3Å; E445-K448 IonicContact OE2-NZ 3.1Å; E445-K448 PolarHBondContact OE2-NZ 3.33Å; E445-F449 WeakPolarHBondContact O-CB 3.42Å; E445-F449 PolarHBondContact O-N 3.49Å
446E90.7Very high84.2Confident104 Ų10487.7 Ų87.749%0.48643%0.431SS..Hα-helixtrans-61.7-45.3172-178.3176.4-15700112.1S442 T443 K448 F449 Y450S442-E446 WeakPolarHBondContact O-CB 3.44Å; S442-E446 PolarHBondContact O-N 3.18Å; T443-E446 PolarHBondContact O-N 3.26Å; E446-K448 PolarHBondContact O-N 2.6Å; E446-F449 WeakPolarHBondContact O-CB 3.31Å; E446-F449 PolarHBondContact O-N 2.92Å; E446-Y450 HydrophobicContact CG-CD2 3.98Å; E446-Y450 HydrophobicContact CG-CE2 3.54Å; E446-Y450 WeakPolarHBondContact O-CD2 3.39Å; E446-Y450 PolarHBondContact O-N 3.45Å
447L90.7Very high84.9Confident80 Ų8084.9 Ų84.942%0.41942%0.415SS..Hα-helixtrans-63.1-43.7177-179.460.2000111.8L432 T443 V444 F449 Y450 M451L432-L447 HydrophobicContact CD1-CD2 3.76Å; L432-L447 HydrophobicContact CD1-CG 3.96Å; L432-L447 HydrophobicContact CD2-CD2 3.95Å; T443-L447 WeakPolarHBondContact O-CB 3.34Å; T443-L447 PolarHBondContact O-N 3.35Å; V444-L447 PolarHBondContact O-N 3.23Å; L447-F449 VanDerWaalsContact C-N 3.28Å; L447-F449 PolarHBondContact O-N 3.32Å; L447-Y450 PolarHBondContact O-N 2.93Å; L447-M451 HydrophobicContact CD1-CG 4.2Å; L447-M451 HydrophobicContact CD1-SD 4.25Å; L447-M451 HydrophobicContact CG-CG 4.41Å; L447-M451 HydrophobicContact CG-SD 4.04Å; L447-M451 WeakPolarHBondContact O-CB 3.16Å; L447-M451 VanDerWaalsContact O-CG 3.31Å; L447-M451 WeakPolarHBondContact O-CG 3.35Å; L447-M451 PolarHBondContact O-N 3.18Å
448K88.6Confident85.4Confident14 Ų1475.7 Ų75.76%0.06138%0.377CS..Hα-helixtrans-58.8-41.7173.6-78169.3171.5171.80111.7L429 L432 S433 V444 E445 E446 M451 K452L429-K448 HydrophobicContact CD2-CB 4.43Å; L429-K448 HydrophobicContact CD2-CG 4.09Å; L432-K448 VanDerWaalsContact C-CE 3.43Å; L432-K448 HydrophobicContact CB-CD 4.45Å; L432-K448 HydrophobicContact CB-CG 4.05Å; L432-K448 HydrophobicContact CD1-CG 4.1Å; L432-K448 WeakPolarHBondContact O-CE 3.3Å; L432-K448 PolarHBondContact O-NZ 3.37Å; S433-K448 WeakPolarHBondContact OG-CE 3.34Å; V444-K448 HydrophobicContact CG1-CD 4.33Å; V444-K448 WeakPolarHBondContact O-CG 3.38Å; V444-K448 PolarHBondContact O-N 3.11Å; E445-K448 PolarHBondContact O-N 2.62Å; E445-K448 WeakPolarHBondContact OE2-CD 3.3Å; E445-K448 IonicContact OE2-NZ 3.1Å; E445-K448 PolarHBondContact OE2-NZ 3.33Å; E446-K448 PolarHBondContact O-N 2.6Å; K448-M451 PolarHBondContact O-N 2.86Å; K448-K452 VanDerWaalsContact O-CB 3.32Å; K448-K452 WeakPolarHBondContact O-CB 3.32Å; K448-K452 VanDerWaalsContact O-CG 3.25Å; K448-K452 WeakPolarHBondContact O-CG 3.23Å; K448-K452 PolarHBondContact O-N 2.82Å
449F88.5Confident85.9Confident125 Ų12577.8 Ų77.855%0.54839%0.385SS..Hα-helixtrans-59.6-47.1178.1173.9-95.9000111.4E445 E446 L447 K452 Q453E445-F449 WeakPolarHBondContact O-CB 3.42Å; E445-F449 PolarHBondContact O-N 3.49Å; E446-F449 WeakPolarHBondContact O-CB 3.31Å; E446-F449 PolarHBondContact O-N 2.92Å; L447-F449 VanDerWaalsContact C-N 3.28Å; L447-F449 PolarHBondContact O-N 3.32Å; F449-K452 PolarHBondContact O-N 3.15Å; F449-Q453 PolarHBondContact O-N 3.03Å; F449-Q453 PolarHBondContact O-NE2 3.29Å
450Y88.8Confident86.2Confident129 Ų12969.7 Ų69.751%0.50635%0.348SS..Hα-helixtrans-66.3-41.6176.5-71.6-58.9000113E446 L447 K452 Q453E446-Y450 HydrophobicContact CG-CD2 3.98Å; E446-Y450 HydrophobicContact CG-CE2 3.54Å; E446-Y450 WeakPolarHBondContact O-CD2 3.39Å; E446-Y450 PolarHBondContact O-N 3.45Å; L447-Y450 PolarHBondContact O-N 2.93Å; Y450-K452 PolarHBondContact O-N 3.2Å; Y450-Q453 WeakPolarHBondContact O-CB 3.41Å; Y450-Q453 WeakPolarHBondContact O-CG 3.37Å; Y450-Q453 PolarHBondContact O-N 3.32Å; Y450-Q453 VanDerWaalsContact O-N 3.14Å
451M87.9Confident86.2Confident17 Ų1764 Ų648%0.08432%0.32CS..Hα-helixtrans-66.9-24.3178.4-72.9-176.271.100113.4W425 V428 L429 L432 L447 K448 F456W425-M451 HydrophobicContact CG-CE 4.14Å; W425-M451 PolarHBondContact NE1-O 3.02Å; V428-M451 HydrophobicContact CB-CE 3.93Å; V428-M451 HydrophobicContact CG1-CE 3.61Å; V428-M451 HydrophobicContact CG1-SD 3.82Å; L429-M451 HydrophobicContact CD2-CB 4.01Å; L429-M451 HydrophobicContact CD2-CE 4.38Å; L429-M451 HydrophobicContact CD2-SD 4.33Å; L429-M451 HydrophobicContact CG-CE 4.24Å; L432-M451 HydrophobicContact CD1-SD 3.82Å; L447-M451 HydrophobicContact CD1-CG 4.2Å; L447-M451 HydrophobicContact CD1-SD 4.25Å; L447-M451 HydrophobicContact CG-CG 4.41Å; L447-M451 HydrophobicContact CG-SD 4.04Å; L447-M451 WeakPolarHBondContact O-CB 3.16Å; L447-M451 VanDerWaalsContact O-CG 3.31Å; L447-M451 WeakPolarHBondContact O-CG 3.35Å; L447-M451 PolarHBondContact O-N 3.18Å; K448-M451 PolarHBondContact O-N 2.86Å; M451-F456 HydrophobicContact CG-CE1 4.26Å
452K86.2Confident86Confident88 Ų8864.5 Ų64.538%0.38332%0.32SS..THydrogen-bonded Turntrans-88.1-0.4175.8-73.9-179.2175.8-169.80113.3L429 K448 F449 Y450 R457L429-K452 HydrophobicContact CD1-CG 4.42Å; L429-K452 HydrophobicContact CD2-CG 4.47Å; K448-K452 VanDerWaalsContact O-CB 3.32Å; K448-K452 WeakPolarHBondContact O-CB 3.32Å; K448-K452 VanDerWaalsContact O-CG 3.25Å; K448-K452 WeakPolarHBondContact O-CG 3.23Å; K448-K452 PolarHBondContact O-N 2.82Å; F449-K452 PolarHBondContact O-N 3.15Å; Y450-K452 PolarHBondContact O-N 3.2Å; K452-R457 PolarHBondContact O-NH1 3.43Å; K452-R457 PolarHBondContact O-NH2 2.8Å
453Q85.4Confident85.9Confident66 Ų6664.8 Ų64.831%0.30831%0.307SS..SBendtrans-65.3135.5175.2-67.4-63.5-51.900110.1F449 Y450 H455 F456 R457F449-Q453 PolarHBondContact O-N 3.03Å; F449-Q453 PolarHBondContact O-NE2 3.29Å; Y450-Q453 WeakPolarHBondContact O-CB 3.41Å; Y450-Q453 WeakPolarHBondContact O-CG 3.37Å; Y450-Q453 PolarHBondContact O-N 3.32Å; Y450-Q453 VanDerWaalsContact O-N 3.14Å; Q453-H455 VanDerWaalsContact C-N 3.25Å; Q453-H455 PolarHBondContact O-N 3.01Å; Q453-F456 HydrophobicContact CB-CB 4.47Å; Q453-F456 PolarHBondContact O-N 2.86Å; Q453-R457 PolarHBondContact O-N 3.22Å
454P81.3Confident85.8Confident15 Ų1561.1 Ų61.110%0.09729%0.285CS..Hα-helixtrans-52.8-40.5179.4-31.837.8000113.7E354 D355 V358 F456 R457 A458E354-P454 HydrophobicContact CB-CG 3.93Å; E354-P454 WeakPolarHBondContact OE2-CG 3.49Å; D355-P454 VanDerWaalsContact OD1-CA 3.29Å; D355-P454 WeakPolarHBondContact OD1-CA 3.47Å; D355-P454 WeakPolarHBondContact OD1-CB 3.37Å; V358-P454 HydrophobicContact CB-CB 4.45Å; V358-P454 HydrophobicContact CG2-CB 3.58Å; P454-F456 VanDerWaalsContact C-N 3.32Å; P454-F456 PolarHBondContact O-N 3.41Å; P454-R457 PolarHBondContact O-N 3.18Å; P454-A458 WeakPolarHBondContact O-CB 3.44Å; P454-A458 PolarHBondContact O-N 2.94Å
455H83.2Confident85.4Confident131 Ų13160.9 Ų60.961%0.60628%0.283SS*.Hα-helixtrans-61.6-36.3177-58.1-63.8000113.8V358 Q453 L459V358-H455 WeakPolarHBondContact CG1-ND1 3.36Å; Q453-H455 VanDerWaalsContact C-N 3.25Å; Q453-H455 PolarHBondContact O-N 3.01Å; H455-L459 WeakPolarHBondContact O-CB 3.49Å; H455-L459 PolarHBondContact O-N 3.41Å
456F85.9Confident85Confident84 Ų8459.6 Ų59.637%0.36828%0.279SS..Hα-helixtrans-72.4-40.7179.5-165.9-93.1000110.7M451 Q453 P454 L459 L460M451-F456 HydrophobicContact CG-CE1 4.26Å; Q453-F456 HydrophobicContact CB-CB 4.47Å; Q453-F456 PolarHBondContact O-N 2.86Å; P454-F456 VanDerWaalsContact C-N 3.32Å; P454-F456 PolarHBondContact O-N 3.41Å; F456-L459 PolarHBondContact O-N 3.28Å; F456-L460 HydrophobicContact CD1-CD1 3.92Å; F456-L460 HydrophobicContact CD1-CG 4.36Å; F456-L460 HydrophobicContact CE1-CD1 3.65Å; F456-L460 HydrophobicContact CE1-CG 4.19Å; F456-L460 WeakPolarHBondContact O-CG 3.37Å; F456-L460 PolarHBondContact O-N 2.84Å
457R82.5Confident84.6Confident19 Ų1954.9 Ų54.97%0.07226%0.258CS..Hα-helixtrans-62.9-49.7174-65.1-168.2-172.3111.1-1111.6D355 W425 K452 Q453 P454 L459 L460 Q461D355-R457 IonicContact OD1-NH1 3.09Å; W425-R457 HydrophobicContact CH2-CG 4.37Å; W425-R457 HydrophobicContact CZ2-CG 3.85Å; W425-R457 VanDerWaalsContact CZ2-NE 3.29Å; K452-R457 PolarHBondContact O-NH1 3.43Å; K452-R457 PolarHBondContact O-NH2 2.8Å; Q453-R457 PolarHBondContact O-N 3.22Å; P454-R457 PolarHBondContact O-N 3.18Å; R457-L459 PolarHBondContact O-N 3.09Å; R457-L460 PolarHBondContact O-N 3.29Å; R457-L460 VanDerWaalsContact O-N 3.11Å; R457-Q461 WeakPolarHBondContact O-CB 3.41Å; R457-Q461 PolarHBondContact O-N 3.49Å
458A80.5Confident84Confident10 Ų1054 Ų548%0.08325%0.251CS..Hα-helixtrans-56-39.7177.600000111.6V358 P454 T462V358-A458 HydrophobicContact CG1-CB 4.18Å; P454-A458 WeakPolarHBondContact O-CB 3.44Å; P454-A458 PolarHBondContact O-N 2.94Å; A458-T462 VanDerWaalsContact O-CB 3.27Å; A458-T462 WeakPolarHBondContact O-CB 3.07Å; A458-T462 PolarHBondContact O-N 3.41Å; A458-T462 PolarHBondContact O-OG1 3.21Å
459L86.2Confident83.4Confident111 Ų11156.1 Ų56.158%0.58126%0.262SS*.Hα-helixtrans-61.4-48.8175.6179.466.3000112.5H455 F456 R457 T462 Y463H455-L459 WeakPolarHBondContact O-CB 3.49Å; H455-L459 PolarHBondContact O-N 3.41Å; F456-L459 PolarHBondContact O-N 3.28Å; R457-L459 PolarHBondContact O-N 3.09Å; L459-T462 PolarHBondContact O-N 3.49Å; L459-Y463 PolarHBondContact O-N 2.79Å
460L86.9Confident82.7Confident34 Ų3453.7 Ų53.718%0.17826%0.257CS..Hα-helixtrans-66.9-38.8-179.9-63.3177.3000112.2A421 T422 W425 F456 R457 Y463 D464A421-L460 HydrophobicContact CB-CB 4.25Å; A421-L460 HydrophobicContact CB-CD2 4.12Å; T422-L460 HydrophobicContact CG2-CB 4.34Å; W425-L460 HydrophobicContact CB-CD1 3.49Å; W425-L460 VanDerWaalsContact CB-CD1 3.49Å; W425-L460 HydrophobicContact CG-CD1 3.66Å; F456-L460 HydrophobicContact CD1-CD1 3.92Å; F456-L460 HydrophobicContact CD1-CG 4.36Å; F456-L460 HydrophobicContact CE1-CD1 3.65Å; F456-L460 HydrophobicContact CE1-CG 4.19Å; F456-L460 WeakPolarHBondContact O-CG 3.37Å; F456-L460 PolarHBondContact O-N 2.84Å; R457-L460 PolarHBondContact O-N 3.29Å; R457-L460 VanDerWaalsContact O-N 3.11Å; L460-Y463 VanDerWaalsContact O-CB 3.32Å; L460-Y463 WeakPolarHBondContact O-CB 3.26Å; L460-Y463 PolarHBondContact O-N 2.87Å; L460-D464 PolarHBondContact O-N 2.99Å
461Q80.3Confident82.1Confident6 Ų651.3 Ų51.33%0.02825%0.248CC..Hα-helixtrans-65.1-44.6174.9179.2-179.95.900111.8W336 F339 Y340 T422 R457 Y463 D464 V465W336-Q461 PolarHBondContact O-NE2 3.05Å; F339-Q461 HydrophobicContact CB-CG 4.04Å; F339-Q461 HydrophobicContact CD2-CG 4.12Å; F339-Q461 HydrophobicContact CG-CG 4.28Å; Y340-Q461 VanDerWaalsContact CZ-NE2 3.35Å; Y340-Q461 VanDerWaalsContact CZ-OE1 3.25Å; Y340-Q461 PolarHBondContact OH-OE1 2.87Å; T422-Q461 HydrophobicContact CG2-CB 4.25Å; R457-Q461 WeakPolarHBondContact O-CB 3.41Å; R457-Q461 PolarHBondContact O-N 3.49Å; Q461-Y463 PolarHBondContact O-N 2.92Å; Q461-D464 PolarHBondContact O-N 2.71Å; Q461-V465 WeakPolarHBondContact O-CG2 3.48Å; Q461-V465 PolarHBondContact O-N 2.94Å
462T81.1Confident81.3Confident43 Ų4351.1 Ų51.126%0.26425%0.25SC..Hα-helixtrans-56.1-42.5174.1-58.80000110.3W336 A458 L459 V465 I466W336-T462 HydrophobicContact CH2-CG2 3.93Å; W336-T462 WeakPolarHBondContact CH2-OG1 3.27Å; W336-T462 HydrophobicContact CZ3-CG2 4.16Å; A458-T462 VanDerWaalsContact O-CB 3.27Å; A458-T462 WeakPolarHBondContact O-CB 3.07Å; A458-T462 PolarHBondContact O-N 3.41Å; A458-T462 PolarHBondContact O-OG1 3.21Å; L459-T462 PolarHBondContact O-N 3.49Å; T462-V465 PolarHBondContact O-N 3.24Å; T462-I466 HydrophobicContact CG2-CD1 3.73Å; T462-I466 HydrophobicContact CG2-CG1 4.41Å; T462-I466 WeakPolarHBondContact O-CB 3.17Å; T462-I466 VanDerWaalsContact O-CG1 3.24Å; T462-I466 WeakPolarHBondContact O-CG1 3.26Å; T462-I466 PolarHBondContact O-N 3.17Å
463Y84.7Confident80.3Confident98 Ų9853.8 Ų53.838%0.38428%0.276SS..Hα-helixtrans-60.4-49.2176.9-173.9-93000112.2V417 P418 A421 L459 L460 Q461 V465 I466 A467V417-Y463 HydrophobicContact CG1-CD1 3.91Å; V417-Y463 HydrophobicContact CG1-CD2 4.04Å; V417-Y463 HydrophobicContact CG1-CE1 3.31Å; V417-Y463 HydrophobicContact CG1-CE2 3.43Å; V417-Y463 VanDerWaalsContact CG1-CE2 3.43Å; V417-Y463 HydrophobicContact CG1-CG 4.27Å; V417-Y463 VanDerWaalsContact CG1-OH 3.23Å; V417-Y463 WeakPolarHBondContact CG1-OH 3.45Å; P418-Y463 WeakPolarHBondContact O-CE1 3.4Å; A421-Y463 HydrophobicContact CB-CD1 3.71Å; A421-Y463 HydrophobicContact CB-CE1 4.26Å; L459-Y463 PolarHBondContact O-N 2.79Å; L460-Y463 VanDerWaalsContact O-CB 3.32Å; L460-Y463 WeakPolarHBondContact O-CB 3.26Å; L460-Y463 PolarHBondContact O-N 2.87Å; Q461-Y463 PolarHBondContact O-N 2.92Å; Y463-V465 PolarHBondContact O-N 3.19Å; Y463-I466 PolarHBondContact O-N 3.08Å; Y463-A467 VanDerWaalsContact O-CB 3.31Å; Y463-A467 WeakPolarHBondContact O-CB 3.13Å; Y463-A467 PolarHBondContact O-N 3.35Å
464D85.2Confident79.2Confident0 Ų058.3 Ų58.30%030%0.297CS..Hα-helixtrans-63.8-41.2178.4-73.6-18.8000112.3F339 A419 D420 A421 T422 L460 Q461 A467 Q468F339-D464 HydrophobicContact CE1-CB 4.12Å; F339-D464 HydrophobicContact CE2-CB 4.22Å; F339-D464 HydrophobicContact CZ-CB 3.71Å; A419-D464 WeakPolarHBondContact CA-OD1 3.49Å; D420-D464 PolarHBondContact N-OD1 3.06Å; D420-D464 VanDerWaalsContact N-OD1 3.15Å; A421-D464 VanDerWaalsContact CB-OD1 3.26Å; A421-D464 WeakPolarHBondContact CB-OD1 3.11Å; A421-D464 PolarHBondContact N-OD1 3.49Å; A421-D464 PolarHBondContact N-OD2 3.15Å; T422-D464 VanDerWaalsContact CB-OD2 3.27Å; T422-D464 WeakPolarHBondContact CB-OD2 3.3Å; T422-D464 VanDerWaalsContact CG2-OD2 3.26Å; T422-D464 WeakPolarHBondContact CG2-OD2 3.23Å; T422-D464 PolarHBondContact N-OD2 3.49Å; T422-D464 PolarHBondContact OG1-OD2 2.92Å; L460-D464 PolarHBondContact O-N 2.99Å; Q461-D464 PolarHBondContact O-N 2.71Å; D464-A467 PolarHBondContact O-N 2.81Å; D464-Q468 WeakPolarHBondContact O-CG 3.27Å; D464-Q468 PolarHBondContact O-N 3.15Å
465V81Confident78.2Confident5 Ų558.4 Ų58.43%0.0330%0.299CS..Hα-helixtrans-62.5-45.6176176.40000110.5W336 F339 Q461 T462 Y463 Q468 E469W336-V465 HydrophobicContact CD2-CG2 4.48Å; W336-V465 HydrophobicContact CE3-CB 3.99Å; W336-V465 HydrophobicContact CE3-CG1 3.91Å; W336-V465 HydrophobicContact CE3-CG2 3.82Å; W336-V465 HydrophobicContact CZ3-CB 4.25Å; W336-V465 HydrophobicContact CZ3-CG1 4.38Å; W336-V465 HydrophobicContact CZ3-CG2 4.4Å; F339-V465 HydrophobicContact CD2-CG2 4.14Å; F339-V465 HydrophobicContact CE2-CG2 3.87Å; Q461-V465 WeakPolarHBondContact O-CG2 3.48Å; Q461-V465 PolarHBondContact O-N 2.94Å; T462-V465 PolarHBondContact O-N 3.24Å; Y463-V465 PolarHBondContact O-N 3.19Å; V465-Q468 PolarHBondContact O-N 2.76Å; V465-E469 HydrophobicContact CG1-CG 4Å; V465-E469 VanDerWaalsContact O-CB 3.29Å; V465-E469 WeakPolarHBondContact O-CB 3.26Å; V465-E469 WeakPolarHBondContact O-CG 3.32Å; V465-E469 PolarHBondContact O-N 3.02Å
466I79.9Confident76.7Confident72 Ų7259.2 Ų59.237%0.36931%0.306SS..Hα-helixtrans-63.1-44.6177.1-71.2170.8000110.8T462 Y463 Q468 V470 Y471T462-I466 HydrophobicContact CG2-CD1 3.73Å; T462-I466 HydrophobicContact CG2-CG1 4.41Å; T462-I466 WeakPolarHBondContact O-CB 3.17Å; T462-I466 VanDerWaalsContact O-CG1 3.24Å; T462-I466 WeakPolarHBondContact O-CG1 3.26Å; T462-I466 PolarHBondContact O-N 3.17Å; Y463-I466 PolarHBondContact O-N 3.08Å; I466-Q468 PolarHBondContact O-N 2.96Å; I466-V470 HydrophobicContact CG2-CB 4.2Å; I466-V470 HydrophobicContact CG2-CG2 4.21Å; I466-V470 WeakPolarHBondContact O-CA 3.27Å; I466-V470 VanDerWaalsContact O-CB 3.29Å; I466-V470 WeakPolarHBondContact O-CB 3.46Å; I466-V470 PolarHBondContact O-N 3.07Å; I466-Y471 HydrophobicContact CG2-CD2 3.82Å; I466-Y471 HydrophobicContact CG2-CE2 3.64Å; I466-Y471 PolarHBondContact O-N 2.62Å
467A82.2Confident74.8Confident5 Ų562.4 Ų62.44%0.04132%0.316CS..Hα-helixtrans-56.1-40.1177.500000111.7V417 A419 Y463 D464 Y471 G472V417-A467 HydrophobicContact CB-CB 3.72Å; V417-A467 HydrophobicContact CG1-CB 3.66Å; A419-A467 HydrophobicContact CB-CB 3.76Å; Y463-A467 VanDerWaalsContact O-CB 3.31Å; Y463-A467 WeakPolarHBondContact O-CB 3.13Å; Y463-A467 PolarHBondContact O-N 3.35Å; D464-A467 PolarHBondContact O-N 2.81Å; A467-Y471 CarbonylContact O-C 3.24Å; A467-Y471 VanDerWaalsContact O-C 3.31Å; A467-G472 WeakPolarHBondContact O-CA 3.33Å; A467-G472 PolarHBondContact O-N 2.77Å
468Q78.6Confident72.9Confident61 Ų6167.9 Ų67.929%0.28535%0.351SS..Hα-helixtrans-84-43.3-179.8-66.2-179.19.900114.2A419 D464 V465 I466 G472A419-Q468 HydrophobicContact CB-CG 3.63Å; D464-Q468 WeakPolarHBondContact O-CG 3.27Å; D464-Q468 PolarHBondContact O-N 3.15Å; V465-Q468 PolarHBondContact O-N 2.76Å; I466-Q468 PolarHBondContact O-N 2.96Å; Q468-G472 WeakPolarHBondContact O-CA 3.25Å; Q468-G472 PolarHBondContact O-N 2.79Å
469E74.5Confident70.6Confident59 Ų5972.7 Ų72.728%0.27638%0.38SS..Hα-helixtrans-87.8-28.3-171.6-67.7-163.7168.500113.8S333 K335 V465 A475S333-E469 VanDerWaalsContact CB-OE1 3.29Å; S333-E469 WeakPolarHBondContact CB-OE1 3.34Å; S333-E469 PolarHBondContact OG-OE1 3.22Å; K335-E469 HydrophobicContact CD-CG 3.8Å; V465-E469 HydrophobicContact CG1-CG 4Å; V465-E469 VanDerWaalsContact O-CB 3.29Å; V465-E469 WeakPolarHBondContact O-CB 3.26Å; V465-E469 WeakPolarHBondContact O-CG 3.32Å; V465-E469 PolarHBondContact O-N 3.02Å; E469-A475 WeakPolarHBondContact O-CA 3.25Å; E469-A475 WeakPolarHBondContact O-CB 3.31Å
470V74.6Confident67.9Low75 Ų7572.9 Ų72.946%0.45539%0.388SS..THydrogen-bonded Turntrans-104.7-46.7-177.6-174.80000110.9I466 A475I466-V470 HydrophobicContact CG2-CB 4.2Å; I466-V470 HydrophobicContact CG2-CG2 4.21Å; I466-V470 WeakPolarHBondContact O-CA 3.27Å; I466-V470 VanDerWaalsContact O-CB 3.29Å; I466-V470 WeakPolarHBondContact O-CB 3.46Å; I466-V470 PolarHBondContact O-N 3.07Å; V470-A475 WeakPolarHBondContact O-CB 3.32Å
471Y76Confident65.1Low79 Ų7972.8 Ų72.831%0.3139%0.389SS..SBendtrans-101.4-8.9-176.9-61.2-76.8000114P411 F415 V417 I466 A467P411-Y471 WeakPolarHBondContact CG-OH 3.47Å; F415-Y471 HydrophobicContact CB-CE1 4.23Å; F415-Y471 HydrophobicContact CD1-CE1 4.05Å; F415-Y471 HydrophobicContact CD1-CE2 4.03Å; F415-Y471 AromaticContact CD1-CZ 3.78Å; F415-Y471 HydrophobicContact CE1-CE2 4.44Å; F415-Y471 WeakPolarHBondContact O-CD1 3.27Å; V417-Y471 HydrophobicContact CG2-CD2 3.77Å; V417-Y471 HydrophobicContact CG2-CE2 4.2Å; V417-Y471 HydrophobicContact CG2-CG 4.12Å; I466-Y471 HydrophobicContact CG2-CD2 3.82Å; I466-Y471 HydrophobicContact CG2-CE2 3.64Å; I466-Y471 PolarHBondContact O-N 2.62Å; A467-Y471 CarbonylContact O-C 3.24Å; A467-Y471 VanDerWaalsContact O-C 3.31Å
472G70.5Confident62.7Low12 Ų1274.8 Ų74.812%0.12440%0.403CS..SBendtrans-73.6164.5-175.500000113.4A467 Q468 E474 A475A467-G472 WeakPolarHBondContact O-CA 3.33Å; A467-G472 PolarHBondContact O-N 2.77Å; Q468-G472 WeakPolarHBondContact O-CA 3.25Å; Q468-G472 PolarHBondContact O-N 2.79Å; G472-E474 PolarHBondContact O-N 2.85Å; G472-A475 WeakPolarHBondContact O-CB 3.44Å; G472-A475 PolarHBondContact O-N 2.91Å; G472-A475 VanDerWaalsContact O-N 3.12Å
473P67.1Low60.2Low144 Ų14478.1 Ų78.194%0.93542%0.418SS*.THydrogen-bonded Turntrans-64.7-25.6-178.325.8-34000113.4
474E61.8Low57.5Low162 Ų16275.6 Ų75.676%0.75742%0.415SS*.THydrogen-bonded Turntrans-94.11.7177.8-61.6-172.8160.300113.6G472 I476G472-E474 PolarHBondContact O-N 2.85Å; E474-I476 PolarHBondContact O-N 2.94Å
475A60.3Low54.7Low17 Ų1780.2 Ų80.214%0.1445%0.447CS..  trans-59.4120.2-17800000111.3E469 V470 G472 R477E469-A475 WeakPolarHBondContact O-CA 3.25Å; E469-A475 WeakPolarHBondContact O-CB 3.31Å; V470-A475 WeakPolarHBondContact O-CB 3.32Å; G472-A475 WeakPolarHBondContact O-CB 3.44Å; G472-A475 PolarHBondContact O-N 2.91Å; G472-A475 VanDerWaalsContact O-N 3.12Å; A475-R477 PolarHBondContact O-N 3.15Å
476I50.9Low52.3Low147 Ų14788.8 Ų88.875%0.75448%0.484SS*.  trans-7299.1165.5-58.9175.2000105.6E474 V478E474-I476 PolarHBondContact O-N 2.94Å; I476-V478 VanDerWaalsContact C-N 3.27Å; I476-V478 HydrophobicContact CG2-CG2 4.27Å; I476-V478 WeakPolarHBondContact O-CG2 3.4Å; I476-V478 PolarHBondContact O-N 3.44Å
477R46.8Very low49.6Very low151 Ų15193 Ų9357%0.5751%0.507SS*.  trans-62.582.8177.5-72.2172.6177.4-133.10.7110.4A475 T479 P481A475-R477 PolarHBondContact O-N 3.15Å; R477-T479 VanDerWaalsContact C-N 3.29Å; R477-P481 HydrophobicContact CB-CG 4.39Å; R477-P481 HydrophobicContact CG-CG 3.68Å; R477-P481 VanDerWaalsContact CZ-CG 3.5Å
478V41.6Very low46.9Very low134 Ų134100.4 Ų100.481%0.81255%0.546SS*.SBendtrans-69.6-32.3177.5-174.70000110.5I476I476-V478 VanDerWaalsContact C-N 3.27Å; I476-V478 HydrophobicContact CG2-CG2 4.27Å; I476-V478 WeakPolarHBondContact O-CG2 3.4Å; I476-V478 PolarHBondContact O-N 3.44Å
479T32.7Very low44.4Very low112 Ų112101.2 Ų101.269%0.68757%0.57SS**SBendtrans-104127.4162.170000107.1R477 P481R477-T479 VanDerWaalsContact C-N 3.29Å; T479-P481 WeakPolarHBondContact O-CD 3.27Å; T479-P481 VanDerWaalsContact O-N 3.13Å
480P28.5Very low42.1Very low114 Ų114106 Ų10674%0.7460%0.598SS**PPolyproline II helixtrans-60.1122.9171.824.7-29.2000107.2
481P28.7Very low39.8Very low33 Ų33111.1 Ų111.121%0.21462%0.617CS.*PPolyproline II helixtrans-62.4153173.2-24.139.2000108R477 T479 L483R477-P481 HydrophobicContact CB-CG 4.39Å; R477-P481 HydrophobicContact CG-CG 3.68Å; R477-P481 VanDerWaalsContact CZ-CG 3.5Å; T479-P481 WeakPolarHBondContact O-CD 3.27Å; T479-P481 VanDerWaalsContact O-N 3.13Å; P481-L483 PolarHBondContact O-N 3.28Å; P481-L483 VanDerWaalsContact O-N 3.11Å
482P30.1Very low37.5Very low47 Ų47114.5 Ų114.531%0.30564%0.64SS.*PPolyproline II helixtrans-53.6128166.5-4.316.3000106.1S413S413-P482 WeakPolarHBondContact CA-O 3.37Å; S413-P482 WeakPolarHBondContact CB-O 3.28Å
483L28.9Very low35.5Very low114 Ų114120.5 Ų120.560%0.59767%0.67SS**PPolyproline II helixtrans-80.5126-178.2-85.2153.8000108.6P481 Q503P481-L483 PolarHBondContact O-N 3.28Å; P481-L483 VanDerWaalsContact O-N 3.11Å; L483-Q503 PolarHBondContact O-NE2 2.89Å
484S28.6Very low33.6Very low44 Ų44121.9 Ų121.931%0.30866%0.663SS.*PPolyproline II helixtrans-69.6145.617945.10000112.9S413 D414S413-S484 VanDerWaalsContact CB-CA 3.5Å; S413-S484 VanDerWaalsContact CB-N 3.31Å; S413-S484 WeakPolarHBondContact OG-CA 3.49Å; S413-S484 VanDerWaalsContact OG-CB 3.31Å; S413-S484 WeakPolarHBondContact OG-CB 3.37Å; D414-S484 WeakPolarHBondContact OD1-CB 3.49Å; D414-S484 PolarHBondContact OD1-OG 3.2Å
485S26.4Very low31.8Very low97 Ų97122.4 Ų122.468%0.67867%0.668SS**  trans-79.9109.217543.20000110.1L487S485-L487 PolarHBondContact O-N 3.41Å
486F28.9Very low30.1Very low186 Ų186129.3 Ų129.382%0.81670%0.697SS**  trans-77.1108.1162.3-81.2-82.6000109.5N488F486-N488 PolarHBondContact O-N 3.43Å
487L24.8Very low28.8Very low160 Ų160127.4 Ų127.484%0.83870%0.697SS**  trans-60.2114.3157-71.7161.4000108.4S485S485-L487 PolarHBondContact O-N 3.41Å
488N24.9Very low27.8Very low160 Ų160127.1 Ų127.186%0.85671%0.707SS**  trans-151.7104.2157.2-92.8-29.3000107F486F486-N488 PolarHBondContact O-N 3.43Å
489G25.7Very low27.1Very low78 Ų78126.3 Ų126.380%0.80470%0.702SS**  trans172.3109.9173.600000110.2
490D26.8Very low26.9Very low160 Ų160128.7 Ų128.786%0.85671%0.711SS**  trans-52166.1176.4-63.7-64.5000114.7
491E26.4Very low27Very low182 Ų182132.4 Ų132.485%0.8572%0.718SS**  trans102.7102.4159.8-56.6-175.5173.500117.9
492D28Very low27.1Very low151 Ų151136.9 Ų136.981%0.80775%0.747SS**  trans44.2130.7130.7-64.5-25.6000122.4
493D27.6Very low27.6Very low138 Ų138140.5 Ų140.574%0.73876%0.76SS**  trans61.7110.8148.8-79.7-15.3000120.3
494H26.4Very low27.9Very low172 Ų172141.2 Ų141.280%0.79677%0.769SS**  trans36.7101.8131-62.8-64.8000118.1
495M25.5Very low29Very low173 Ų173142.7 Ų142.785%0.85278%0.776SS**  -175152.1118.1-99.9-145.9113.700112.7
496E24.1Very low30.6Very low162 Ų162148.9 Ų148.976%0.75778%0.784SS**  trans-55.9163.9178.2-62.2164.6135.400115.1
497S24Very low32.8Very low107 Ų107143.4 Ų143.475%0.74877%0.766SS**  trans91119.115174.50000119.8
498D24.8Very low35.6Very low146 Ų146140.7 Ų140.778%0.78175%0.745SS**  trans85.6121.7136.3-79.7-16.6000122.3
499T27.3Very low38.5Very low117 Ų117137.4 Ų137.472%0.71873%0.727SS**  trans80.294.3144.1350000119.6
500D28.7Very low41.4Very low162 Ų162134 Ų13487%0.86669%0.69SS**  26.6101119.8-66.4-27.4000116.9
501Q30Very low44.2Very low191 Ų191132.9 Ų132.989%0.89368%0.68SS**  trans-132.4132.7151.8-72.7-166.11.800112.1
502P31.7Very low47Very low127 Ų127124.8 Ų124.883%0.82564%0.642SS**  trans-98.4142.3-162.712.98.2000114.9
503Q40.3Very low49.5Very low123 Ų123122.8 Ų122.858%0.57563%0.628SS**  trans2.7129.5159.4-74.7166.6-17.800121.6L483L483-Q503 PolarHBondContact O-NE2 2.89Å
504V35.7Very low52.2Low130 Ų130116.5 Ų116.579%0.78859%0.594SS**  trans-83112.6-179.9178.40000112.4
505T52Low54.5Low74 Ų74113.8 Ų113.845%0.45459%0.585SS.*  trans-81.9145.2151.338.90000107.9V507 I587T505-V507 VanDerWaalsContact C-N 3.34Å; T505-V507 WeakPolarHBondContact O-CG2 3.5Å; T505-V507 PolarHBondContact O-N 2.83Å; T505-I587 HydrophobicContact CG2-CD1 4.4Å; T505-I587 WeakPolarHBondContact OG1-CD1 3.15Å
506R59.6Low56.9Low227 Ų227109 Ų10986%0.85757%0.566SS**  trans-59.994.8-177.7-97.8-171.5-179.3178.82110.8R508 P588R506-R508 PolarHBondContact O-N 3.16Å; R506-P588 WeakPolarHBondContact O-CD 3.49Å
507V75.8Confident59.2Low71 Ų71107.7 Ų107.743%0.4356%0.564SS.*PPolyproline II helixtrans-77121.6175.5179.60000108.2T505 K585 I586T505-V507 VanDerWaalsContact C-N 3.34Å; T505-V507 WeakPolarHBondContact O-CG2 3.5Å; T505-V507 PolarHBondContact O-N 2.83Å; V507-K585 HydrophobicContact CG1-CB 3.58Å; V507-K585 HydrophobicContact CG1-CD 3.98Å; V507-K585 HydrophobicContact CG1-CG 3.96Å; V507-I586 CarbonylContact C-O 3.58Å; V507-I586 VanDerWaalsContact CA-O 3.26Å; V507-I586 WeakPolarHBondContact CA-O 3.32Å
508R81.9Confident61.8Low104 Ų104105.4 Ų105.439%0.39254%0.541SS..EExtended strand (participates in β ladder)trans-97.2127.3171.6-175.3179178.6-168.7-2.3108.8R506 V510 I586 P588R506-R508 PolarHBondContact O-N 3.16Å; R508-V510 HydrophobicContact CG-CG2 4.23Å; R508-I586 HydrophobicContact CB-CG1 4Å; R508-I586 PolarHBondContact N-O 3.21Å; R508-I586 WeakPolarHBondContact O-CG1 3.47Å; R508-I586 PolarHBondContact O-N 3.01Å; R508-P588 HydrophobicContact CB-CG 3.89Å
509L86.1Confident64.4Low91 Ų91102.9 Ų102.948%0.47653%0.533SS..EExtended strand (participates in β ladder)trans-82.3123.4168.4-171.770.4000108.9Q511 L584 K585L509-Q511 HydrophobicContact CD2-CG 4.25Å; L509-Q511 HydrophobicContact CG-CG 4.15Å; L509-L584 CarbonylContact C-O 3.57Å; L509-L584 WeakPolarHBondContact CA-O 3.46Å; L509-K585 HydrophobicContact CD1-CG 3.87Å
510V86.5Confident67.1Low6 Ų698 Ų984%0.03650%0.502CS..EExtended strand (participates in β ladder)trans-114.5118.7177.3174.30000107.8R508 F512 T548 L549 S583 L584 I586R508-V510 HydrophobicContact CG-CG2 4.23Å; V510-F512 HydrophobicContact CG1-CD1 4.2Å; V510-T548 HydrophobicContact CG1-CG2 4.19Å; V510-L549 HydrophobicContact CB-CD2 4.39Å; V510-L549 HydrophobicContact CG1-CD2 4.17Å; V510-L549 HydrophobicContact CG2-CD2 4.23Å; V510-S583 CarbonylContact O-C 3.43Å; V510-S583 WeakPolarHBondContact O-CA 3.28Å; V510-L584 HydrophobicContact CB-CB 4.34Å; V510-L584 PolarHBondContact N-O 3.24Å; V510-L584 PolarHBondContact O-N 3.27Å; V510-I586 HydrophobicContact CG2-CD1 3.75Å; V510-I586 HydrophobicContact CG2-CG1 3.93Å
511Q85.4Confident69.8Low137 Ų13790.6 Ų90.664%0.6447%0.465SS*.EExtended strand (participates in β ladder)trans-118.9133.9178.9-68.7179.5-26.500110L509 V582L509-Q511 HydrophobicContact CD2-CG 4.25Å; L509-Q511 HydrophobicContact CG-CG 4.15Å; Q511-V582 WeakPolarHBondContact CA-O 3.3Å
512F85.7Confident72.4Confident11 Ų1183 Ų835%0.04843%0.43CS..EExtended strand (participates in β ladder)trans-147.2155.5173.755.9-88.7000110.9V510 M520 M542 I543 V582 L584V510-F512 HydrophobicContact CG1-CD1 4.2Å; F512-M520 HydrophobicContact CE1-CE 4.15Å; F512-M520 HydrophobicContact CE2-CE 3.72Å; F512-M520 HydrophobicContact CE2-SD 4.34Å; F512-M520 HydrophobicContact CZ-CE 3.24Å; F512-M520 HydrophobicContact CZ-SD 4.24Å; F512-M542 HydrophobicContact CD2-CE 3.53Å; F512-M542 HydrophobicContact CE2-CE 3.46Å; F512-M542 VanDerWaalsContact CE2-CE 3.46Å; F512-M542 HydrophobicContact CZ-CE 4.43Å; F512-I543 HydrophobicContact CD1-CD1 4.13Å; F512-I543 HydrophobicContact CD2-CD1 4.48Å; F512-I543 HydrophobicContact CE1-CD1 3.95Å; F512-I543 HydrophobicContact CE2-CD1 4.31Å; F512-I543 HydrophobicContact CG-CD1 4.42Å; F512-I543 HydrophobicContact CZ-CD1 4.07Å; F512-V582 HydrophobicContact CD2-CB 4.11Å; F512-V582 HydrophobicContact CD2-CG2 4.45Å; F512-V582 HydrophobicContact CE1-CB 4.27Å; F512-V582 HydrophobicContact CE1-CG1 4.21Å; F512-V582 HydrophobicContact CE2-CB 3.55Å; F512-V582 HydrophobicContact CE2-CG1 3.93Å; F512-V582 HydrophobicContact CE2-CG2 3.87Å; F512-V582 HydrophobicContact CZ-CB 3.62Å; F512-V582 HydrophobicContact CZ-CG1 3.52Å; F512-V582 HydrophobicContact CZ-CG2 4.34Å; F512-V582 PolarHBondContact N-O 3.01Å; F512-V582 PolarHBondContact O-N 2.89Å; F512-L584 HydrophobicContact CE1-CD1 3.66Å; F512-L584 HydrophobicContact CE1-CG 3.96Å; F512-L584 HydrophobicContact CZ-CD1 4.18Å; F512-L584 HydrophobicContact CZ-CG 4.47Å
513Q81.9Confident74.9Confident110 Ų11078.4 Ų78.451%0.51440%0.4SS..EExtended strand (participates in β ladder)trans-93.6128.2175.1-83-174.6-12.900111.6G580 N581Q513-G580 CarbonylContact C-O 3.5Å; Q513-G580 WeakPolarHBondContact CA-O 3.49Å; Q513-N581 WeakPolarHBondContact CG-OD1 3.28Å; Q513-N581 PolarHBondContact NE2-OD1 2.91Å
514K82.5Confident77.1Confident5 Ų573.2 Ų73.22%0.02238%0.376CS..EExtended strand (participates in β ladder)trans-112.986.7171.8-178.1158.5166.1-103.40109.5M520 M542 L575 R576 A578 R579 G580 V582K514-M520 HydrophobicContact CD-CG 4.01Å; K514-M542 HydrophobicContact CB-SD 4.38Å; K514-M542 HydrophobicContact CD-CE 4.41Å; K514-M542 HydrophobicContact CD-SD 4.39Å; K514-M542 HydrophobicContact CG-SD 4.32Å; K514-L575 PolarHBondContact NZ-O 3.19Å; K514-R576 PolarHBondContact NZ-O 3.23Å; K514-A578 WeakPolarHBondContact CD-O 3.42Å; K514-A578 PolarHBondContact NZ-O 3.24Å; K514-R579 VanDerWaalsContact CE-NH1 3.31Å; K514-G580 PolarHBondContact N-O 3.4Å; K514-G580 PolarHBondContact O-N 3.3Å; K514-V582 HydrophobicContact CB-CG2 4.03Å
515N76.2Confident79.3Confident115 Ų11572.4 Ų72.462%0.61536%0.362SS*.  trans-95.5-9-177.3-63-21000113.3
516T74.5Confident80.7Confident73 Ų7372.1 Ų72.145%0.44836%0.357SS..SBendtrans-114.2164.3-178.3580000110.9E518 R579T516-E518 PolarHBondContact O-N 2.94Å; T516-E518 WeakPolarHBondContact OG1-CB 3.47Å; T516-E518 PolarHBondContact OG1-N 3.34Å; T516-R579 PolarHBondContact O-NH1 3.15Å
517D73.2Confident81.6Confident135 Ų13563.6 Ų63.672%0.72233%0.328SS*.SBendtrans-75.54.2167.5-67.4-36.3000112.6R579D517-R579 IonicContact OD1-CZ 3.08Å; D517-R579 IonicContact OD1-NE 2.62Å; D517-R579 PolarHBondContact OD1-NE 2.7Å; D517-R579 IonicContact OD1-NH1 3.8Å; D517-R579 IonicContact OD1-NH2 2.61Å; D517-R579 PolarHBondContact OD1-NH2 2.99Å
518E78.6Confident81.3Confident58 Ų5869 Ų6927%0.27135%0.349SS..  trans-58.3133.6176.4-168.4-170.2154.700110.7T516 M542 R545T516-E518 PolarHBondContact O-N 2.94Å; T516-E518 WeakPolarHBondContact OG1-CB 3.47Å; T516-E518 PolarHBondContact OG1-N 3.34Å; E518-M542 PolarHBondContact OE1-N 3.3Å; E518-R545 IonicContact OE1-CZ 3.79Å; E518-R545 IonicContact OE1-NH2 2.65Å; E518-R545 PolarHBondContact OE1-NH2 3.37Å; E518-R545 IonicContact OE2-NH2 2.77Å; E518-R545 PolarHBondContact OE2-NH2 2.93Å
519P79.7Confident81.2Confident94 Ų9470.1 Ų70.161%0.6136%0.359SS*.  trans-65.9146.817427.9-34.4000111G521P519-G521 PolarHBondContact O-N 3.27Å
520M82.9Confident80.8Confident13 Ų1371.3 Ų71.36%0.06437%0.366CS..  trans-62.8-25.7179.5-65.2-176.95500113.3F512 K514 I522 M542 I543 L575F512-M520 HydrophobicContact CE1-CE 4.15Å; F512-M520 HydrophobicContact CE2-CE 3.72Å; F512-M520 HydrophobicContact CE2-SD 4.34Å; F512-M520 HydrophobicContact CZ-CE 3.24Å; F512-M520 HydrophobicContact CZ-SD 4.24Å; K514-M520 HydrophobicContact CD-CG 4.01Å; M520-I522 HydrophobicContact CB-CG1 4.27Å; M520-I522 HydrophobicContact CE-CD1 3.91Å; M520-M542 HydrophobicContact CB-CE 4.07Å; M520-M542 HydrophobicContact CE-CE 4.34Å; M520-M542 HydrophobicContact CG-CE 3.64Å; M520-I543 HydrophobicContact CB-CG1 4.08Å; M520-I543 HydrophobicContact CE-CD1 3.81Å; M520-I543 HydrophobicContact CE-CG1 3.86Å; M520-I543 WeakPolarHBondContact O-CB 3.28Å; M520-I543 WeakPolarHBondContact O-CG1 3.47Å; M520-I543 PolarHBondContact O-N 3.41Å; M520-L575 HydrophobicContact CE-CD2 4.1Å; M520-L575 HydrophobicContact SD-CB 3.83Å; M520-L575 HydrophobicContact SD-CD2 3.86Å; M520-L575 HydrophobicContact SD-CG 4.32Å
521G85.5Confident80.7Confident8 Ų874.1 Ų74.18%0.08238%0.377CS..  trans74.938.1-178.700000113.4P519 I537 L538P519-G521 PolarHBondContact O-N 3.27Å; G521-I537 CarbonylContact O-C 3.6Å; G521-I537 WeakPolarHBondContact O-CA 3.23Å; G521-L538 PolarHBondContact O-N 3.34Å
522I85.6Confident80.7Confident30 Ų3067.8 Ų67.815%0.15435%0.348CS..EExtended strand (participates in β ladder)trans-129.2149.5175.263.8173.8000110.9M520 L524 R536 I537 I543 L549 L575M520-I522 HydrophobicContact CB-CG1 4.27Å; M520-I522 HydrophobicContact CE-CD1 3.91Å; I522-L524 HydrophobicContact CD1-CD2 4.3Å; I522-R536 CarbonylContact C-O 3.58Å; I522-R536 VanDerWaalsContact CA-O 3.27Å; I522-R536 WeakPolarHBondContact CA-O 3.46Å; I522-I537 HydrophobicContact CG2-CG1 4.06Å; I522-I537 HydrophobicContact CG2-CG2 4.4Å; I522-I543 HydrophobicContact CG2-CB 3.76Å; I522-I543 HydrophobicContact CG2-CG1 3.88Å; I522-I543 HydrophobicContact CG2-CG2 3.74Å; I522-L549 HydrophobicContact CD1-CD1 4.07Å; I522-L575 HydrophobicContact CD1-CD1 4.4Å
523T83.7Confident80.9Confident31 Ų3168.5 Ų68.519%0.1935%0.352CS..EExtended strand (participates in β ladder)trans-113.4146.4166.565.90000109.8A535 R536T523-A535 PolarHBondContact O-N 3.16Å; T523-R536 HydrophobicContact CG2-CB 4.48Å; T523-R536 PolarHBondContact N-O 2.77Å; T523-R536 PolarHBondContact O-N 3.03Å; T523-R536 WeakPolarHBondContact OG1-CB 3.4Å; T523-R536 PolarHBondContact OG1-N 2.82Å
524L86.4Confident81.2Confident14 Ų1463.3 Ų63.37%0.07333%0.328CS..EExtended strand (participates in β ladder)trans-115.8145.5-179.1-60.9-179.2000109.4I522 I533 V534 L555 V568 L571 L575I522-L524 HydrophobicContact CD1-CD2 4.3Å; L524-I533 WeakPolarHBondContact CA-O 3.43Å; L524-V534 HydrophobicContact CD2-CG2 4.41Å; L524-L555 HydrophobicContact CD2-CD1 3.61Å; L524-L555 HydrophobicContact CD2-CD2 4.44Å; L524-V568 HydrophobicContact CB-CG1 4.25Å; L524-L571 HydrophobicContact CD1-CB 4.24Å; L524-L575 HydrophobicContact CD1-CD1 3.65Å
525K82.3Confident81.2Confident113 Ų11364.6 Ų64.649%0.49134%0.339SS..EExtended strand (participates in β ladder)trans-134.4157168.770.9-175.3-176.7-179.60110.3C532 I533 A535K525-C532 WeakPolarHBondContact O-CA 3.39Å; K525-I533 HydrophobicContact CD-CD1 4.2Å; K525-I533 HydrophobicContact CD-CG1 4.38Å; K525-I533 HydrophobicContact CG-CD1 3.87Å; K525-I533 HydrophobicContact CG-CG1 3.55Å; K525-I533 PolarHBondContact N-O 2.95Å; K525-I533 PolarHBondContact O-N 2.96Å; K525-A535 HydrophobicContact CB-CB 4.05Å; K525-A535 HydrophobicContact CD-CB 3.83Å; K525-A535 HydrophobicContact CG-CB 3.8Å
526L80.6Confident81.5Confident68 Ų6860.2 Ų60.236%0.35631%0.314SS..EExtended strand (participates in β ladder)trans-86.4135.5163-63.8172.8000107.8K531 C532 V568L526-K531 WeakPolarHBondContact CA-O 3.46Å; L526-C532 HydrophobicContact CD2-CB 4.19Å; L526-V568 HydrophobicContact CD1-CG2 4.06Å; L526-V568 HydrophobicContact CD2-CG2 4.43Å; L526-V568 HydrophobicContact CG-CG2 3.7Å
527N78.5Confident82.1Confident48 Ų4857.8 Ų57.826%0.25730%0.298SS..  trans-81.7-179168.475.2-6.5000110.5E529 N530 K531 I533N527-E529 PolarHBondContact O-N 2.92Å; N527-E529 WeakPolarHBondContact OD1-CA 3.48Å; N527-E529 PolarHBondContact OD1-N 3.11Å; N527-E529 VanDerWaalsContact OD1-N 3.08Å; N527-N530 PolarHBondContact O-N 2.9Å; N527-N530 PolarHBondContact OD1-N 3.27Å; N527-K531 PolarHBondContact N-O 2.9Å; N527-K531 WeakPolarHBondContact OD1-CA 3.18Å; N527-K531 VanDerWaalsContact OD1-CB 3.32Å; N527-K531 WeakPolarHBondContact OD1-CB 3.46Å; N527-K531 PolarHBondContact OD1-N 3.31Å; N527-K531 PolarHBondContact OD1-O 3.33Å; N527-I533 HydrophobicContact CB-CD1 4Å
528E70.7Confident82.6Confident186 Ų18652.5 Ų52.587%0.86927%0.27SS*.THydrogen-bonded Turntrans-59.4-26180-63171.9-177.900113.1N530E528-N530 VanDerWaalsContact C-N 3.29Å; E528-N530 PolarHBondContact O-N 3.42Å
529E78.2Confident82.8Confident127 Ų12751.8 Ų51.859%0.59327%0.266SS*.THydrogen-bonded Turntrans-89.813.1176.7-58.1176.7164.900112.9N527 K531N527-E529 PolarHBondContact O-N 2.92Å; N527-E529 WeakPolarHBondContact OD1-CA 3.48Å; N527-E529 PolarHBondContact OD1-N 3.11Å; N527-E529 VanDerWaalsContact OD1-N 3.08Å; E529-K531 HydrophobicContact CB-CD 4.1Å; E529-K531 HydrophobicContact CB-CG 4.17Å; E529-K531 PolarHBondContact O-N 3.35Å; E529-K531 VanDerWaalsContact OE2-CD 3.24Å; E529-K531 WeakPolarHBondContact OE2-CD 3.47Å; E529-K531 WeakPolarHBondContact OE2-CE 3.24Å; E529-K531 IonicContact OE2-NZ 3.02Å; E529-K531 PolarHBondContact OE2-NZ 3.18Å
530N78.2Confident82.8Confident116 Ų11647.7 Ų47.762%0.6224%0.242SC*.SBendtrans56.724.9-173.9-70.8-43.1000114.7N527 E528N527-N530 PolarHBondContact O-N 2.9Å; N527-N530 PolarHBondContact OD1-N 3.27Å; E528-N530 VanDerWaalsContact C-N 3.29Å; E528-N530 PolarHBondContact O-N 3.42Å
531K83.8Confident82.9Confident64 Ų6447.2 Ų47.228%0.27824%0.24SC..  trans-87.5135.2172.9-60.7168.5174.7174.50109.8L526 N527 E529 I533 E554L526-K531 WeakPolarHBondContact CA-O 3.46Å; N527-K531 PolarHBondContact N-O 2.9Å; N527-K531 WeakPolarHBondContact OD1-CA 3.18Å; N527-K531 VanDerWaalsContact OD1-CB 3.32Å; N527-K531 WeakPolarHBondContact OD1-CB 3.46Å; N527-K531 PolarHBondContact OD1-N 3.31Å; N527-K531 PolarHBondContact OD1-O 3.33Å; E529-K531 HydrophobicContact CB-CD 4.1Å; E529-K531 HydrophobicContact CB-CG 4.17Å; E529-K531 PolarHBondContact O-N 3.35Å; E529-K531 VanDerWaalsContact OE2-CD 3.24Å; E529-K531 WeakPolarHBondContact OE2-CD 3.47Å; E529-K531 WeakPolarHBondContact OE2-CE 3.24Å; E529-K531 IonicContact OE2-NZ 3.02Å; E529-K531 PolarHBondContact OE2-NZ 3.18Å; K531-I533 PolarHBondContact O-N 3.1Å; K531-E554 HydrophobicContact CB-CG 4.09Å; K531-E554 WeakPolarHBondContact CD-OE1 3.09Å
532C87Confident82.8Confident4 Ų447.3 Ų47.33%0.02724%0.238CC..EExtended strand (participates in β ladder)trans-78.5123.5177.6-173.10000110.3K525 L526 E554 L555 V563 L571K525-C532 WeakPolarHBondContact O-CA 3.39Å; L526-C532 HydrophobicContact CD2-CB 4.19Å; C532-E554 CarbonylContact O-C 3.52Å; C532-E554 WeakPolarHBondContact O-CA 3.36Å; C532-L555 HydrophobicContact CB-CB 4.49Å; C532-L555 PolarHBondContact O-N 2.98Å; C532-V563 HydrophobicContact CB-CG1 3.33Å; C532-L571 HydrophobicContact CB-CD1 4.15Å
533I88.5Confident82.8Confident26 Ų2645.9 Ų45.913%0.13323%0.231CC..EExtended strand (participates in β ladder)trans-126.7150-179.659.7171.2000111.1L524 K525 N527 K531 A535 D553 E554L524-I533 WeakPolarHBondContact CA-O 3.43Å; K525-I533 HydrophobicContact CD-CD1 4.2Å; K525-I533 HydrophobicContact CD-CG1 4.38Å; K525-I533 HydrophobicContact CG-CD1 3.87Å; K525-I533 HydrophobicContact CG-CG1 3.55Å; K525-I533 PolarHBondContact N-O 2.95Å; K525-I533 PolarHBondContact O-N 2.96Å; N527-I533 HydrophobicContact CB-CD1 4Å; K531-I533 PolarHBondContact O-N 3.1Å; I533-A535 PolarHBondContact O-N 3Å; I533-A535 VanDerWaalsContact O-N 3.15Å; I533-D553 CarbonylContact C-O 3.59Å; I533-D553 WeakPolarHBondContact CA-O 3.41Å; I533-E554 HydrophobicContact CG2-CB 4.11Å; I533-E554 HydrophobicContact CG2-CG 4.17Å
534V88.1Confident82.8Confident1 Ų147.9 Ų47.91%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-68109.6171.3-1790000108.5L524 I537 L549 H550 G552 D553 L555L524-V534 HydrophobicContact CD2-CG2 4.41Å; V534-I537 HydrophobicContact CG1-CD1 4.22Å; V534-I537 HydrophobicContact CG1-CG1 3.8Å; V534-L549 HydrophobicContact CG2-CD1 4.49Å; V534-H550 WeakPolarHBondContact CB-O 3.44Å; V534-G552 PolarHBondContact O-N 3.42Å; V534-D553 HydrophobicContact CG2-CB 4.12Å; V534-D553 PolarHBondContact N-O 3.41Å; V534-L555 HydrophobicContact CG2-CD1 3.64Å
535A83.5Confident82.6Confident32 Ų3254.5 Ų54.526%0.26426%0.262SS..EExtended strand (participates in β ladder)trans-81.8-40.1-179.200000112.2T523 K525 I533 V551T523-A535 PolarHBondContact O-N 3.16Å; K525-A535 HydrophobicContact CB-CB 4.05Å; K525-A535 HydrophobicContact CD-CB 3.83Å; K525-A535 HydrophobicContact CG-CB 3.8Å; I533-A535 PolarHBondContact O-N 3Å; I533-A535 VanDerWaalsContact O-N 3.15Å; A535-V551 WeakPolarHBondContact O-CG1 3.31Å
536R83Confident82.5Confident23 Ų2353.1 Ų53.19%0.08726%0.257CS..EExtended strand (participates in β ladder)trans-151.6151.6-177.9-161.4-178.3-66.5152.51.7111.1I522 T523 D637I522-R536 CarbonylContact C-O 3.58Å; I522-R536 VanDerWaalsContact CA-O 3.27Å; I522-R536 WeakPolarHBondContact CA-O 3.46Å; T523-R536 HydrophobicContact CG2-CB 4.48Å; T523-R536 PolarHBondContact N-O 2.77Å; T523-R536 PolarHBondContact O-N 3.03Å; T523-R536 WeakPolarHBondContact OG1-CB 3.4Å; T523-R536 PolarHBondContact OG1-N 2.82Å; R536-D637 IonicContact CZ-OD2 3.84Å; R536-D637 IonicContact NE-OD2 3.89Å; R536-D637 PolarHBondContact NE-OD2 2.77Å; R536-D637 VanDerWaalsContact NH2-CG 3.28Å; R536-D637 IonicContact NH2-OD1 3.13Å; R536-D637 IonicContact NH2-OD2 2.77Å; R536-D637 PolarHBondContact NH2-OD2 3.4Å
537I85.9Confident82.5Confident22 Ų2251.9 Ų51.911%0.11326%0.261CS..EExtended strand (participates in β ladder)trans-123.4125.5168.7-56.1-179.7000108.5G521 I522 V534 I543 H544 L549 V551 Q642G521-I537 CarbonylContact O-C 3.6Å; G521-I537 WeakPolarHBondContact O-CA 3.23Å; I522-I537 HydrophobicContact CG2-CG1 4.06Å; I522-I537 HydrophobicContact CG2-CG2 4.4Å; V534-I537 HydrophobicContact CG1-CD1 4.22Å; V534-I537 HydrophobicContact CG1-CG1 3.8Å; I537-I543 HydrophobicContact CD1-CG2 4.25Å; I537-I543 HydrophobicContact CG2-CG2 4.25Å; I537-H544 HydrophobicContact CG2-CB 3.81Å; I537-L549 HydrophobicContact CD1-CB 4.43Å; I537-L549 WeakPolarHBondContact CD1-O 3.4Å; I537-V551 HydrophobicContact CB-CG2 4.43Å; I537-V551 HydrophobicContact CD1-CG2 4.34Å; I537-V551 HydrophobicContact CG1-CG2 3.96Å; I537-Q642 PolarHBondContact O-NE2 2.84Å
538L83.7Confident82.7Confident25 Ų2550.7 Ų50.713%0.13126%0.255CS..  trans-76.3124.4176.3-64.7-179.6000110.4G521 G540 G541 H544 A620 L656G521-L538 PolarHBondContact O-N 3.34Å; L538-G540 PolarHBondContact O-N 3.13Å; L538-G541 PolarHBondContact O-N 3.48Å; L538-H544 VanDerWaalsContact O-CB 3.24Å; L538-H544 WeakPolarHBondContact O-CB 3.48Å; L538-A620 HydrophobicContact CD1-CB 4.4Å; L538-L656 HydrophobicContact CD2-CD2 3.86Å; L538-L656 HydrophobicContact CD2-CG 4.26Å
539H82.4Confident83.5Confident42 Ų4242 Ų4219%0.19422%0.215CC..THydrogen-bonded Turntrans-62.9130.9-179.4-163.4100.5000110.4G541 H544 I633 A654H539-G541 PolarHBondContact O-N 3.38Å; H539-H544 AromaticContact CD2-CE1 3.75Å; H539-H544 AromaticContact CE1-CE1 3.24Å; H539-H544 PolarHBondContact CE1-CE1 3.28Å; H539-H544 AromaticContact CE1-NE2 3.31Å; H539-H544 PolarHBondContact CE1-NE2 3.36Å; H539-H544 VanDerWaalsContact CE1-NE2 3.31Å; H539-H544 AromaticContact CG-CE1 3.67Å; H539-H544 AromaticContact CG-NE2 3.72Å; H539-H544 AromaticContact ND1-CD2 3.94Å; H539-H544 AromaticContact ND1-CE1 3.35Å; H539-H544 PolarHBondContact ND1-CE1 3.02Å; H539-H544 AromaticContact ND1-NE2 3.1Å; H539-H544 PolarHBondContact ND1-NE2 3.39Å; H539-H544 AromaticContact NE2-CE1 3.47Å; H539-H544 PolarHBondContact NE2-CE1 2.72Å; H539-H544 AromaticContact NE2-NE2 3.99Å; H539-I633 HydrophobicContact CB-CG2 3.77Å; H539-I633 VanDerWaalsContact CD2-CG2 3.47Å; H539-I633 WeakPolarHBondContact CD2-CG2 3.38Å; H539-A654 HydrophobicContact CB-CB 4.02Å; H539-A654 WeakPolarHBondContact O-CB 3.43Å; H539-A654 PolarHBondContact O-N 2.9Å
540G80.8Confident83.8Confident9 Ų938.4 Ų38.49%0.09320%0.198CC..THydrogen-bonded Turntrans76.9-8.7-173.600000115.2L538 H544 R545L538-G540 PolarHBondContact O-N 3.13Å; G540-H544 PolarHBondContact N-ND1 3.38Å; G540-R545 WeakPolarHBondContact O-CD 3.44Å; G540-R545 PolarHBondContact O-NE 3.36Å; G540-R545 VanDerWaalsContact O-NE 3.08Å
541G83.6Confident84Confident2 Ų236.7 Ų36.72%0.02119%0.191CC..SBendtrans-64.8167.4170.400000112.6L538 H539 I543 H544 R545L538-G541 PolarHBondContact O-N 3.48Å; H539-G541 PolarHBondContact O-N 3.38Å; G541-I543 PolarHBondContact O-N 3.04Å; G541-H544 PolarHBondContact O-N 3.25Å; G541-R545 PolarHBondContact O-N 2.98Å
542M84.2Confident84.1Confident10 Ų1035.2 Ų35.25%0.04919%0.194CC..Hα-helixtrans-51.2-50.6-176.8-170.8-168.979.100113.3F512 K514 E518 M520 R545 Q546F512-M542 HydrophobicContact CD2-CE 3.53Å; F512-M542 HydrophobicContact CE2-CE 3.46Å; F512-M542 VanDerWaalsContact CE2-CE 3.46Å; F512-M542 HydrophobicContact CZ-CE 4.43Å; K514-M542 HydrophobicContact CB-SD 4.38Å; K514-M542 HydrophobicContact CD-CE 4.41Å; K514-M542 HydrophobicContact CD-SD 4.39Å; K514-M542 HydrophobicContact CG-SD 4.32Å; E518-M542 PolarHBondContact OE1-N 3.3Å; M520-M542 HydrophobicContact CB-CE 4.07Å; M520-M542 HydrophobicContact CE-CE 4.34Å; M520-M542 HydrophobicContact CG-CE 3.64Å; M542-R545 PolarHBondContact O-N 3.5Å; M542-Q546 WeakPolarHBondContact O-CG 3.4Å; M542-Q546 PolarHBondContact O-N 3.4Å; M542-Q546 VanDerWaalsContact O-N 3.12Å
543I86.7Confident84.2Confident0 Ų035.1 Ų35.10%019%0.194CC..Hα-helixtrans-68.5-37.6-179.1-69.5-63.8000112.1F512 M520 I522 I537 G541 Q546 G547 L549F512-I543 HydrophobicContact CD1-CD1 4.13Å; F512-I543 HydrophobicContact CD2-CD1 4.48Å; F512-I543 HydrophobicContact CE1-CD1 3.95Å; F512-I543 HydrophobicContact CE2-CD1 4.31Å; F512-I543 HydrophobicContact CG-CD1 4.42Å; F512-I543 HydrophobicContact CZ-CD1 4.07Å; M520-I543 HydrophobicContact CB-CG1 4.08Å; M520-I543 HydrophobicContact CE-CD1 3.81Å; M520-I543 HydrophobicContact CE-CG1 3.86Å; M520-I543 WeakPolarHBondContact O-CB 3.28Å; M520-I543 WeakPolarHBondContact O-CG1 3.47Å; M520-I543 PolarHBondContact O-N 3.41Å; I522-I543 HydrophobicContact CG2-CB 3.76Å; I522-I543 HydrophobicContact CG2-CG1 3.88Å; I522-I543 HydrophobicContact CG2-CG2 3.74Å; I537-I543 HydrophobicContact CD1-CG2 4.25Å; I537-I543 HydrophobicContact CG2-CG2 4.25Å; G541-I543 PolarHBondContact O-N 3.04Å; I543-Q546 PolarHBondContact O-N 3.33Å; I543-G547 PolarHBondContact O-N 3.49Å; I543-L549 HydrophobicContact CD1-CD1 4.2Å; I543-L549 HydrophobicContact CG2-CB 3.76Å; I543-L549 HydrophobicContact CG2-CD1 4.17Å; I543-L549 HydrophobicContact CG2-CG 4.22Å
544H83.1Confident84.2Confident73 Ų7335 Ų3534%0.33819%0.193SC..Hα-helixtrans-61.8-45.1174.8179-93.2000111.7I537 L538 H539 G540 G541 Q546 G547I537-H544 HydrophobicContact CG2-CB 3.81Å; L538-H544 VanDerWaalsContact O-CB 3.24Å; L538-H544 WeakPolarHBondContact O-CB 3.48Å; H539-H544 AromaticContact CD2-CE1 3.75Å; H539-H544 AromaticContact CE1-CE1 3.24Å; H539-H544 PolarHBondContact CE1-CE1 3.28Å; H539-H544 AromaticContact CE1-NE2 3.31Å; H539-H544 PolarHBondContact CE1-NE2 3.36Å; H539-H544 VanDerWaalsContact CE1-NE2 3.31Å; H539-H544 AromaticContact CG-CE1 3.67Å; H539-H544 AromaticContact CG-NE2 3.72Å; H539-H544 AromaticContact ND1-CD2 3.94Å; H539-H544 AromaticContact ND1-CE1 3.35Å; H539-H544 PolarHBondContact ND1-CE1 3.02Å; H539-H544 AromaticContact ND1-NE2 3.1Å; H539-H544 PolarHBondContact ND1-NE2 3.39Å; H539-H544 AromaticContact NE2-CE1 3.47Å; H539-H544 PolarHBondContact NE2-CE1 2.72Å; H539-H544 AromaticContact NE2-NE2 3.99Å; G540-H544 PolarHBondContact N-ND1 3.38Å; G541-H544 PolarHBondContact O-N 3.25Å; H544-Q546 VanDerWaalsContact C-N 3.28Å; H544-Q546 PolarHBondContact O-N 3.02Å; H544-G547 PolarHBondContact O-N 3.45Å
545R81.4Confident84.3Confident153 Ų15335.1 Ų35.158%0.57719%0.193SC*.Hα-helixtrans-65.1-31.6178.8-73.3-171.8-73.5148.80.4112.8E518 G540 G541 M542E518-R545 IonicContact OE1-CZ 3.79Å; E518-R545 IonicContact OE1-NH2 2.65Å; E518-R545 PolarHBondContact OE1-NH2 3.37Å; E518-R545 IonicContact OE2-NH2 2.77Å; E518-R545 PolarHBondContact OE2-NH2 2.93Å; G540-R545 WeakPolarHBondContact O-CD 3.44Å; G540-R545 PolarHBondContact O-NE 3.36Å; G540-R545 VanDerWaalsContact O-NE 3.08Å; G541-R545 PolarHBondContact O-N 2.98Å; M542-R545 PolarHBondContact O-N 3.5Å
546Q81.4Confident84.5Confident85 Ų8538.5 Ų38.540%0.39720%0.199SC..Hα-helixtrans-84.6-22.6177.7-70.4-176.2-27.700113.5M542 I543 H544 T548M542-Q546 WeakPolarHBondContact O-CG 3.4Å; M542-Q546 PolarHBondContact O-N 3.4Å; M542-Q546 VanDerWaalsContact O-N 3.12Å; I543-Q546 PolarHBondContact O-N 3.33Å; H544-Q546 VanDerWaalsContact C-N 3.28Å; H544-Q546 PolarHBondContact O-N 3.02Å; Q546-T548 HydrophobicContact CB-CG2 3.82Å; Q546-T548 PolarHBondContact O-N 2.77Å
547G80.3Confident84.8Confident41 Ų4139.7 Ų39.742%0.42321%0.205SC..THydrogen-bonded Turntrans62.126-178.600000113.7I543 H544I543-G547 PolarHBondContact O-N 3.49Å; H544-G547 PolarHBondContact O-N 3.45Å
548T82.4Confident84.9Confident24 Ų2438.7 Ų38.715%0.14720%0.2CC..  trans-84.3-32.7-170.442.60000113.5V510 Q546V510-T548 HydrophobicContact CG1-CG2 4.19Å; Q546-T548 HydrophobicContact CB-CG2 3.82Å; Q546-T548 PolarHBondContact O-N 2.77Å
549L86.8Confident85Confident4 Ų440.4 Ų40.42%0.02121%0.21CC..  trans-122156.2176.5-60.8173.9000110.2V510 I522 V534 I537 I543 L584 I586V510-L549 HydrophobicContact CB-CD2 4.39Å; V510-L549 HydrophobicContact CG1-CD2 4.17Å; V510-L549 HydrophobicContact CG2-CD2 4.23Å; I522-L549 HydrophobicContact CD1-CD1 4.07Å; V534-L549 HydrophobicContact CG2-CD1 4.49Å; I537-L549 HydrophobicContact CD1-CB 4.43Å; I537-L549 WeakPolarHBondContact CD1-O 3.4Å; I543-L549 HydrophobicContact CD1-CD1 4.2Å; I543-L549 HydrophobicContact CG2-CB 3.76Å; I543-L549 HydrophobicContact CG2-CD1 4.17Å; I543-L549 HydrophobicContact CG2-CG 4.22Å; L549-L584 HydrophobicContact CD1-CD1 3.65Å; L549-L584 HydrophobicContact CD2-CD1 4.04Å; L549-L584 HydrophobicContact CG-CD1 4.27Å; L549-I586 HydrophobicContact CD2-CD1 3.85Å; L549-I586 HydrophobicContact CD2-CG2 3.94Å
550H84.7Confident85Confident50 Ų5044.1 Ų44.123%0.23123%0.231CC..  trans-126.1157.6175-60.175.1000110.6V534 G552 D553V534-H550 WeakPolarHBondContact CB-O 3.44Å; H550-G552 PolarHBondContact O-N 2.67Å; H550-D553 PolarHBondContact N-OD2 3.22Å; H550-D553 IonicContact ND1-OD2 3.32Å; H550-D553 WeakPolarHBondContact O-CB 3.34Å; H550-D553 VanDerWaalsContact O-CG 3.32Å; H550-D553 PolarHBondContact O-N 3.39Å
551V83.7Confident85.2Confident80 Ų8048 Ų4849%0.48525%0.247SC..THydrogen-bonded Turntrans-62.9132.9173176.90000108.9A535 I537 S589A535-V551 WeakPolarHBondContact O-CG1 3.31Å; I537-V551 HydrophobicContact CB-CG2 4.43Å; I537-V551 HydrophobicContact CD1-CG2 4.34Å; I537-V551 HydrophobicContact CG1-CG2 3.96Å; V551-S589 PolarHBondContact O-OG 3.35Å; V551-S589 VanDerWaalsContact O-OG 3.1Å
552G85.3Confident85.3Confident33 Ų3352 Ų5234%0.3427%0.272SS..THydrogen-bonded Turntrans95.8-14.8-175.600000114.5V534 H550 E554 S589V534-G552 PolarHBondContact O-N 3.42Å; H550-G552 PolarHBondContact O-N 2.67Å; G552-E554 PolarHBondContact O-N 2.96Å; G552-S589 WeakPolarHBondContact O-CB 3.39Å
553D88.1Confident85.3Confident3 Ų351.8 Ų51.82%0.01627%0.272CS..PPolyproline II helixtrans-61.8133.5178-71.1-9.6000110.7I533 V534 H550 I586 S589I533-D553 CarbonylContact C-O 3.59Å; I533-D553 WeakPolarHBondContact CA-O 3.41Å; V534-D553 HydrophobicContact CG2-CB 4.12Å; V534-D553 PolarHBondContact N-O 3.41Å; H550-D553 PolarHBondContact N-OD2 3.22Å; H550-D553 IonicContact ND1-OD2 3.32Å; H550-D553 WeakPolarHBondContact O-CB 3.34Å; H550-D553 VanDerWaalsContact O-CG 3.32Å; H550-D553 PolarHBondContact O-N 3.39Å; D553-I586 HydrophobicContact CB-CD1 4.1Å; D553-I586 WeakPolarHBondContact OD2-CD1 3.25Å; D553-S589 PolarHBondContact N-OG 3.31Å; D553-S589 PolarHBondContact OD1-N 2.97Å; D553-S589 PolarHBondContact OD1-OG 3.46Å
554E89.5Confident85.1Confident24 Ų2455.8 Ų55.811%0.11231%0.305CS..EExtended strand (participates in β ladder)trans-91.1126.7-179.9-173.4-172.314800110.5K531 C532 I533 G552 R556 I586 I587K531-E554 HydrophobicContact CB-CG 4.09Å; K531-E554 WeakPolarHBondContact CD-OE1 3.09Å; C532-E554 CarbonylContact O-C 3.52Å; C532-E554 WeakPolarHBondContact O-CA 3.36Å; I533-E554 HydrophobicContact CG2-CB 4.11Å; I533-E554 HydrophobicContact CG2-CG 4.17Å; G552-E554 PolarHBondContact O-N 2.96Å; E554-R556 IonicContact OE1-CZ 3.39Å; E554-R556 IonicContact OE1-NE 3.76Å; E554-R556 PolarHBondContact OE1-NE 3.17Å; E554-R556 IonicContact OE1-NH2 2.78Å; E554-R556 PolarHBondContact OE1-NH2 3.33Å; E554-I586 CarbonylContact O-C 3.58Å; E554-I586 WeakPolarHBondContact O-CA 3.45Å; E554-I586 VanDerWaalsContact O-CB 3.32Å; E554-I586 WeakPolarHBondContact O-CB 3.19Å; E554-I587 HydrophobicContact CB-CB 4.11Å; E554-I587 PolarHBondContact N-O 3.12Å; E554-I587 PolarHBondContact O-N 2.93Å
555L89.3Confident84.8Confident3 Ų356.4 Ų56.42%0.01633%0.331CS..EExtended strand (participates in β ladder)trans-90.5121.8176.9-67.492.7000110.9L524 C532 V534 I558 V563 L584 I586L524-L555 HydrophobicContact CD2-CD1 3.61Å; L524-L555 HydrophobicContact CD2-CD2 4.44Å; C532-L555 HydrophobicContact CB-CB 4.49Å; C532-L555 PolarHBondContact O-N 2.98Å; V534-L555 HydrophobicContact CG2-CD1 3.64Å; L555-I558 HydrophobicContact CD2-CD1 4.32Å; L555-I558 HydrophobicContact CD2-CG1 4.36Å; L555-V563 HydrophobicContact CB-CG2 4.33Å; L555-L584 HydrophobicContact CD2-CD1 4.37Å; L555-L584 HydrophobicContact CD2-CD2 4.43Å; L555-I586 HydrophobicContact CG-CG2 4.27Å
556R88.4Confident84.8Confident102 Ų10255 Ų5539%0.38533%0.326SS..EExtended strand (participates in β ladder)trans-102.2-42.2176.7-73.5-73.2175.8153.2-1.2113.1E554 V563 K585 I587E554-R556 IonicContact OE1-CZ 3.39Å; E554-R556 IonicContact OE1-NE 3.76Å; E554-R556 PolarHBondContact OE1-NE 3.17Å; E554-R556 IonicContact OE1-NH2 2.78Å; E554-R556 PolarHBondContact OE1-NH2 3.33Å; R556-V563 WeakPolarHBondContact O-CB 3.01Å; R556-V563 WeakPolarHBondContact O-CG2 3.02Å; R556-V563 PolarHBondContact O-N 3.21Å; R556-K585 PolarHBondContact N-O 2.7Å; R556-I587 HydrophobicContact CG-CD1 4.17Å; R556-I587 HydrophobicContact CG-CG1 4.32Å
557E88.6Confident84.7Confident48 Ų4853.6 Ų53.622%0.22433%0.325CS..EExtended strand (participates in β ladder)trans-139.8148.7177.3-59.3172-15500112.2E561 L584 K585E557-E561 CarbonylContact C-O 3.31Å; E557-E561 WeakPolarHBondContact CA-O 3.39Å; E557-L584 WeakPolarHBondContact O-CA 3.48Å; E557-K585 HydrophobicContact CB-CB 3.98Å; E557-K585 HydrophobicContact CB-CD 4.45Å; E557-K585 HydrophobicContact CB-CG 4.31Å; E557-K585 HydrophobicContact CG-CB 4.39Å; E557-K585 HydrophobicContact CG-CD 4.29Å; E557-K585 PolarHBondContact N-O 2.75Å; E557-K585 PolarHBondContact O-N 3.14Å; E557-K585 IonicContact OE1-NZ 2.71Å; E557-K585 PolarHBondContact OE1-NZ 2.82Å; E557-K585 VanDerWaalsContact OE2-CD 3.31Å; E557-K585 WeakPolarHBondContact OE2-CD 3.47Å; E557-K585 WeakPolarHBondContact OE2-CE 3.4Å; E557-K585 IonicContact OE2-NZ 3.29Å; E557-K585 PolarHBondContact OE2-NZ 3.2Å
558I88Confident84.5Confident1 Ų152.8 Ų52.81%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-128.4118.1173.1-50.8173.8000108L555 N560 E561 V563 L571 L574 L575 L584L555-I558 HydrophobicContact CD2-CD1 4.32Å; L555-I558 HydrophobicContact CD2-CG1 4.36Å; I558-N560 PolarHBondContact O-N 3.29Å; I558-E561 PolarHBondContact N-O 3.38Å; I558-E561 WeakPolarHBondContact O-CB 3.3Å; I558-E561 PolarHBondContact O-N 3.05Å; I558-V563 HydrophobicContact CD1-CG2 3.99Å; I558-V563 HydrophobicContact CG1-CG2 3.76Å; I558-L571 HydrophobicContact CD1-CD2 4.06Å; I558-L574 HydrophobicContact CB-CD2 3.54Å; I558-L574 HydrophobicContact CD1-CD2 4.18Å; I558-L574 HydrophobicContact CG1-CD2 4.45Å; I558-L574 HydrophobicContact CG2-CD2 3.14Å; I558-L575 HydrophobicContact CD1-CD1 4.15Å; I558-L575 HydrophobicContact CD1-CD2 4.04Å; I558-L575 HydrophobicContact CD1-CG 3.92Å; I558-L575 HydrophobicContact CG2-CD2 3.74Å; I558-L575 HydrophobicContact CG2-CG 4.43Å; I558-L584 HydrophobicContact CB-CD2 4.03Å; I558-L584 HydrophobicContact CG1-CD2 3.84Å; I558-L584 HydrophobicContact CG2-CD2 3.63Å
559N87Confident84.3Confident61 Ų6157.1 Ų57.133%0.32633%0.33SS..THydrogen-bonded Turntrans50.341.4-175.6-64.8-18.1000113.5E561 V582 S583N559-E561 PolarHBondContact O-N 3.44Å; N559-V582 WeakPolarHBondContact OD1-CA 3.3Å; N559-S583 PolarHBondContact N-O 3.4Å; N559-S583 PolarHBondContact OD1-N 3.45Å
560N82Confident84Confident121 Ų12159.2 Ų59.265%0.64734%0.34SS*.THydrogen-bonded Turntrans67.310-174.2-49.8-40.2000115.3I558I558-N560 PolarHBondContact O-N 3.29Å
561E84.6Confident84Confident91 Ų9157 Ų5743%0.42533%0.33SS..EExtended strand (participates in β ladder)trans-92.4127.5168.4-66.4-165.5-170.300111.1E557 I558 N559 L574E557-E561 CarbonylContact C-O 3.31Å; E557-E561 WeakPolarHBondContact CA-O 3.39Å; I558-E561 PolarHBondContact N-O 3.38Å; I558-E561 WeakPolarHBondContact O-CB 3.3Å; I558-E561 PolarHBondContact O-N 3.05Å; N559-E561 PolarHBondContact O-N 3.44Å; E561-L574 WeakPolarHBondContact OE2-CD1 3.42Å
562P85.9Confident83.8Confident85 Ų8556.9 Ų56.955%0.55232%0.324SS*.EExtended strand (participates in β ladder)trans-68.1139.6176.827.2-32.9000111.7
563V85Confident83.6Confident6 Ų661.6 Ų61.64%0.03633%0.331CS..  trans-85.5-25.6-176.51740000112.5C532 L555 R556 I558 G565 R566 L571C532-V563 HydrophobicContact CB-CG1 3.33Å; L555-V563 HydrophobicContact CB-CG2 4.33Å; R556-V563 WeakPolarHBondContact O-CB 3.01Å; R556-V563 WeakPolarHBondContact O-CG2 3.02Å; R556-V563 PolarHBondContact O-N 3.21Å; I558-V563 HydrophobicContact CD1-CG2 3.99Å; I558-V563 HydrophobicContact CG1-CG2 3.76Å; V563-G565 PolarHBondContact O-N 3.24Å; V563-R566 WeakPolarHBondContact O-CB 3.13Å; V563-R566 PolarHBondContact O-N 3.38Å; V563-L571 HydrophobicContact CB-CD2 4.17Å; V563-L571 HydrophobicContact CG1-CD1 3.48Å; V563-L571 VanDerWaalsContact CG1-CD1 3.48Å; V563-L571 HydrophobicContact CG1-CD2 3.75Å; V563-L571 HydrophobicContact CG1-CG 4.25Å; V563-L571 HydrophobicContact CG2-CD2 4Å
564A81.4Confident83.4Confident84 Ų8462.9 Ų62.969%0.69434%0.338SS*.THydrogen-bonded Turntrans-57.2136.3-176.700000112.3R566A564-R566 PolarHBondContact O-N 3.41Å
565G77.1Confident83.1Confident86 Ų8662.1 Ų62.189%0.88734%0.335SS*.THydrogen-bonded Turntrans71.52.5179.200000115.5V563V563-G565 PolarHBondContact O-N 3.24Å
566R81.6Confident82.7Confident124 Ų12469.3 Ų69.347%0.46836%0.362SS..  trans-91.5145.8174.9-59.6-61.3-165.6-177.83.4111V563 A564 L571V563-R566 WeakPolarHBondContact O-CB 3.13Å; V563-R566 PolarHBondContact O-N 3.38Å; A564-R566 PolarHBondContact O-N 3.41Å; R566-L571 HydrophobicContact CB-CD2 3.94Å; R566-L571 HydrophobicContact CB-CG 4.1Å; R566-L571 HydrophobicContact CG-CD2 4.46Å
567S78.3Confident82.3Confident54 Ų5470.2 Ų70.238%0.37837%0.374SS..  trans-70.5153.1174.292.40000111.4E569 H570 L571S567-E569 WeakPolarHBondContact CB-OE2 3.49Å; S567-E569 PolarHBondContact O-N 3.18Å; S567-E569 PolarHBondContact OG-N 3.42Å; S567-E569 PolarHBondContact OG-OE2 3.42Å; S567-H570 WeakPolarHBondContact O-CB 3.48Å; S567-H570 PolarHBondContact O-N 2.91Å; S567-H570 VanDerWaalsContact O-N 3.09Å; S567-H570 PolarHBondContact OG-N 3.11Å; S567-L571 WeakPolarHBondContact O-CG 3.38Å; S567-L571 PolarHBondContact O-N 3.2Å; S567-L571 VanDerWaalsContact O-N 3.13Å
568V77.4Confident82Confident25 Ų2568.3 Ų68.315%0.15237%0.367CS..Hα-helixtrans-59.2-37.9178.3-179.90000111L524 L526 H570 L571 Q572L524-V568 HydrophobicContact CB-CG1 4.25Å; L526-V568 HydrophobicContact CD1-CG2 4.06Å; L526-V568 HydrophobicContact CD2-CG2 4.43Å; L526-V568 HydrophobicContact CG-CG2 3.7Å; V568-H570 VanDerWaalsContact C-N 3.31Å; V568-H570 PolarHBondContact O-N 3.03Å; V568-L571 PolarHBondContact O-N 3.04Å; V568-Q572 HydrophobicContact CG1-CG 4.24Å; V568-Q572 WeakPolarHBondContact O-CB 3.09Å; V568-Q572 VanDerWaalsContact O-CG 3.26Å; V568-Q572 WeakPolarHBondContact O-CG 3.15Å; V568-Q572 PolarHBondContact O-N 3.26Å
569E78Confident81.7Confident114 Ų11473.8 Ų73.853%0.53339%0.387SS..Hα-helixtrans-66.3-34178.4-53.772.3-156.300111.9S567 R573S567-E569 WeakPolarHBondContact CB-OE2 3.49Å; S567-E569 PolarHBondContact O-N 3.18Å; S567-E569 PolarHBondContact OG-N 3.42Å; S567-E569 PolarHBondContact OG-OE2 3.42Å; E569-R573 WeakPolarHBondContact O-CB 3.22Å; E569-R573 WeakPolarHBondContact O-CG 3.1Å; E569-R573 PolarHBondContact O-N 3.06Å; E569-R573 PolarHBondContact O-NE 2.86Å
570H80.5Confident81.6Confident48 Ų4872.1 Ų72.122%0.22238%0.384CS..Hα-helixtrans-65.9-47.7174-178.284.6000110.9S567 V568 Q572 R573 L574S567-H570 WeakPolarHBondContact O-CB 3.48Å; S567-H570 PolarHBondContact O-N 2.91Å; S567-H570 VanDerWaalsContact O-N 3.09Å; S567-H570 PolarHBondContact OG-N 3.11Å; V568-H570 VanDerWaalsContact C-N 3.31Å; V568-H570 PolarHBondContact O-N 3.03Å; H570-Q572 PolarHBondContact O-N 2.65Å; H570-R573 WeakPolarHBondContact O-CB 3.2Å; H570-R573 PolarHBondContact O-N 3.4Å; H570-L574 WeakPolarHBondContact O-CB 3.49Å; H570-L574 PolarHBondContact O-N 3.23Å
571L83.9Confident81.7Confident4 Ų472 Ų722%0.02138%0.384CS..Hα-helixtrans-64.2-40.9178.8-60.5168.7000112L524 C532 I558 V563 R566 S567 V568 R573 L574 L575L524-L571 HydrophobicContact CD1-CB 4.24Å; C532-L571 HydrophobicContact CB-CD1 4.15Å; I558-L571 HydrophobicContact CD1-CD2 4.06Å; V563-L571 HydrophobicContact CB-CD2 4.17Å; V563-L571 HydrophobicContact CG1-CD1 3.48Å; V563-L571 VanDerWaalsContact CG1-CD1 3.48Å; V563-L571 HydrophobicContact CG1-CD2 3.75Å; V563-L571 HydrophobicContact CG1-CG 4.25Å; V563-L571 HydrophobicContact CG2-CD2 4Å; R566-L571 HydrophobicContact CB-CD2 3.94Å; R566-L571 HydrophobicContact CB-CG 4.1Å; R566-L571 HydrophobicContact CG-CD2 4.46Å; S567-L571 WeakPolarHBondContact O-CG 3.38Å; S567-L571 PolarHBondContact O-N 3.2Å; S567-L571 VanDerWaalsContact O-N 3.13Å; V568-L571 PolarHBondContact O-N 3.04Å; L571-R573 PolarHBondContact O-N 2.72Å; L571-L574 PolarHBondContact O-N 2.78Å; L571-L575 WeakPolarHBondContact O-CG 3.49Å; L571-L575 PolarHBondContact O-N 2.84Å
572Q80.2Confident81.8Confident77 Ų7767.7 Ų67.736%0.3636%0.364SS..Hα-helixtrans-61.4-42.2173.9-75.7179.51.200111.9V568 H570 L574 R576V568-Q572 HydrophobicContact CG1-CG 4.24Å; V568-Q572 WeakPolarHBondContact O-CB 3.09Å; V568-Q572 VanDerWaalsContact O-CG 3.26Å; V568-Q572 WeakPolarHBondContact O-CG 3.15Å; V568-Q572 PolarHBondContact O-N 3.26Å; H570-Q572 PolarHBondContact O-N 2.65Å; Q572-L574 VanDerWaalsContact C-N 3.33Å; Q572-R576 WeakPolarHBondContact O-CB 3.25Å; Q572-R576 PolarHBondContact O-N 3.46Å
573R80.6Confident81.9Confident132 Ų13264.7 Ų64.750%0.49834%0.344SS..Hα-helixtrans-62.1-42.3173.2-81.6-179.8-70.8130.6-11.8111.4E569 H570 L571 R576 N577E569-R573 WeakPolarHBondContact O-CB 3.22Å; E569-R573 WeakPolarHBondContact O-CG 3.1Å; E569-R573 PolarHBondContact O-N 3.06Å; E569-R573 PolarHBondContact O-NE 2.86Å; H570-R573 WeakPolarHBondContact O-CB 3.2Å; H570-R573 PolarHBondContact O-N 3.4Å; L571-R573 PolarHBondContact O-N 2.72Å; R573-R576 PolarHBondContact O-N 2.88Å; R573-N577 WeakPolarHBondContact O-CB 3.45Å; R573-N577 VanDerWaalsContact O-CG 3.23Å; R573-N577 PolarHBondContact O-N 2.86Å
574L83.5Confident82.2Confident30 Ų3064.4 Ų64.416%0.15734%0.343CS..Hα-helixtrans-63.6-46.9-178.9-164.7138.8000111.9I558 E561 H570 L571 Q572 R576 N577 A578I558-L574 HydrophobicContact CB-CD2 3.54Å; I558-L574 HydrophobicContact CD1-CD2 4.18Å; I558-L574 HydrophobicContact CG1-CD2 4.45Å; I558-L574 HydrophobicContact CG2-CD2 3.14Å; E561-L574 WeakPolarHBondContact OE2-CD1 3.42Å; H570-L574 WeakPolarHBondContact O-CB 3.49Å; H570-L574 PolarHBondContact O-N 3.23Å; L571-L574 PolarHBondContact O-N 2.78Å; Q572-L574 VanDerWaalsContact C-N 3.33Å; L574-R576 PolarHBondContact O-N 2.96Å; L574-N577 PolarHBondContact O-N 3.26Å; L574-A578 WeakPolarHBondContact O-CB 3.49Å; L574-A578 PolarHBondContact O-N 3.07Å
575L84Confident82.5Confident9 Ų963.7 Ų63.75%0.04732%0.324CS..Hα-helixtrans-65.9-34.8174.4-71.4168.4000113.2K514 M520 I522 L524 I558 L571 L584K514-L575 PolarHBondContact NZ-O 3.19Å; M520-L575 HydrophobicContact CE-CD2 4.1Å; M520-L575 HydrophobicContact SD-CB 3.83Å; M520-L575 HydrophobicContact SD-CD2 3.86Å; M520-L575 HydrophobicContact SD-CG 4.32Å; I522-L575 HydrophobicContact CD1-CD1 4.4Å; L524-L575 HydrophobicContact CD1-CD1 3.65Å; I558-L575 HydrophobicContact CD1-CD1 4.15Å; I558-L575 HydrophobicContact CD1-CD2 4.04Å; I558-L575 HydrophobicContact CD1-CG 3.92Å; I558-L575 HydrophobicContact CG2-CD2 3.74Å; I558-L575 HydrophobicContact CG2-CG 4.43Å; L571-L575 WeakPolarHBondContact O-CG 3.49Å; L571-L575 PolarHBondContact O-N 2.84Å; L575-L584 HydrophobicContact CD2-CD2 3.93Å
576R81Confident83Confident153 Ų15359.6 Ų59.658%0.57728%0.282SS*.Hα-helixtrans-66.9-43176.3-170.2-178.1-54.8-169.22.4111.7K514 Q572 R573 L574K514-R576 PolarHBondContact NZ-O 3.23Å; Q572-R576 WeakPolarHBondContact O-CB 3.25Å; Q572-R576 PolarHBondContact O-N 3.46Å; R573-R576 PolarHBondContact O-N 2.88Å; L574-R576 PolarHBondContact O-N 2.96Å
577N80.1Confident83.2Confident121 Ų12155 Ų5565%0.64727%0.266SS*.Hα-helixtrans-78.2-20.8179.5-68.1-8.5000113.1R573 L574 R579R573-N577 WeakPolarHBondContact O-CB 3.45Å; R573-N577 VanDerWaalsContact O-CG 3.23Å; R573-N577 PolarHBondContact O-N 2.86Å; L574-N577 PolarHBondContact O-N 3.26Å; N577-R579 PolarHBondContact O-N 3.35Å
578A81.8Confident83.4Confident8 Ų855.1 Ų55.17%0.06627%0.266CS..  trans-59.1121.7177.100000110.8K514 L574 V582K514-A578 WeakPolarHBondContact CD-O 3.42Å; K514-A578 PolarHBondContact NZ-O 3.24Å; L574-A578 WeakPolarHBondContact O-CB 3.49Å; L574-A578 PolarHBondContact O-N 3.07Å; A578-V582 HydrophobicContact CB-CG1 4.23Å; A578-V582 HydrophobicContact CB-CG2 3.7Å
579R81.9Confident83.4Confident117 Ų11755.5 Ų55.544%0.44227%0.269SS..  trans-128.1150.4177.4-68.3-72.4-176.8-115.6-12.5108.9K514 T516 D517 N577K514-R579 VanDerWaalsContact CE-NH1 3.31Å; T516-R579 PolarHBondContact O-NH1 3.15Å; D517-R579 IonicContact OD1-CZ 3.08Å; D517-R579 IonicContact OD1-NE 2.62Å; D517-R579 PolarHBondContact OD1-NE 2.7Å; D517-R579 IonicContact OD1-NH1 3.8Å; D517-R579 IonicContact OD1-NH2 2.61Å; D517-R579 PolarHBondContact OD1-NH2 2.99Å; N577-R579 PolarHBondContact O-N 3.35Å
580G85Confident82.9Confident25 Ų2561.2 Ų61.226%0.25829%0.288SS..EExtended strand (participates in β ladder)trans76.3-139.8-176.300000112Q513 K514 V582Q513-G580 CarbonylContact C-O 3.5Å; Q513-G580 WeakPolarHBondContact CA-O 3.49Å; K514-G580 PolarHBondContact N-O 3.4Å; K514-G580 PolarHBondContact O-N 3.3Å; G580-V582 PolarHBondContact O-N 2.97Å
581N83.7Confident82.1Confident119 Ų11966 Ų6664%0.63630%0.304SS*.EExtended strand (participates in β ladder)trans-72.6113.9179.2-72.6-2.5000110.2Q513Q513-N581 WeakPolarHBondContact CG-OD1 3.28Å; Q513-N581 PolarHBondContact NE2-OD1 2.91Å
582V87.6Confident80.5Confident1 Ų171.6 Ų71.61%0.00634%0.339CS..EExtended strand (participates in β ladder)trans-101.8129.8172.4-172.50000108.5Q511 F512 K514 N559 A578 G580 L584Q511-V582 WeakPolarHBondContact CA-O 3.3Å; F512-V582 HydrophobicContact CD2-CB 4.11Å; F512-V582 HydrophobicContact CD2-CG2 4.45Å; F512-V582 HydrophobicContact CE1-CB 4.27Å; F512-V582 HydrophobicContact CE1-CG1 4.21Å; F512-V582 HydrophobicContact CE2-CB 3.55Å; F512-V582 HydrophobicContact CE2-CG1 3.93Å; F512-V582 HydrophobicContact CE2-CG2 3.87Å; F512-V582 HydrophobicContact CZ-CB 3.62Å; F512-V582 HydrophobicContact CZ-CG1 3.52Å; F512-V582 HydrophobicContact CZ-CG2 4.34Å; F512-V582 PolarHBondContact N-O 3.01Å; F512-V582 PolarHBondContact O-N 2.89Å; K514-V582 HydrophobicContact CB-CG2 4.03Å; N559-V582 WeakPolarHBondContact OD1-CA 3.3Å; A578-V582 HydrophobicContact CB-CG1 4.23Å; A578-V582 HydrophobicContact CB-CG2 3.7Å; G580-V582 PolarHBondContact O-N 2.97Å; V582-L584 HydrophobicContact CG1-CD2 4.22Å
583S87.1Confident79.1Confident21 Ų2175.4 Ų75.415%0.14736%0.356CS..EExtended strand (participates in β ladder)trans-118.6128.917763.20000111V510 N559V510-S583 CarbonylContact O-C 3.43Å; V510-S583 WeakPolarHBondContact O-CA 3.28Å; N559-S583 PolarHBondContact N-O 3.4Å; N559-S583 PolarHBondContact OD1-N 3.45Å
584L90.6Very high77.7Confident0 Ų072.9 Ų72.90%036%0.356CS..EExtended strand (participates in β ladder)trans-118.3131.5176.5-51.4178.2000109.4L509 V510 F512 L549 L555 E557 I558 L575 V582 I586L509-L584 CarbonylContact C-O 3.57Å; L509-L584 WeakPolarHBondContact CA-O 3.46Å; V510-L584 HydrophobicContact CB-CB 4.34Å; V510-L584 PolarHBondContact N-O 3.24Å; V510-L584 PolarHBondContact O-N 3.27Å; F512-L584 HydrophobicContact CE1-CD1 3.66Å; F512-L584 HydrophobicContact CE1-CG 3.96Å; F512-L584 HydrophobicContact CZ-CD1 4.18Å; F512-L584 HydrophobicContact CZ-CG 4.47Å; L549-L584 HydrophobicContact CD1-CD1 3.65Å; L549-L584 HydrophobicContact CD2-CD1 4.04Å; L549-L584 HydrophobicContact CG-CD1 4.27Å; L555-L584 HydrophobicContact CD2-CD1 4.37Å; L555-L584 HydrophobicContact CD2-CD2 4.43Å; E557-L584 WeakPolarHBondContact O-CA 3.48Å; I558-L584 HydrophobicContact CB-CD2 4.03Å; I558-L584 HydrophobicContact CG1-CD2 3.84Å; I558-L584 HydrophobicContact CG2-CD2 3.63Å; L575-L584 HydrophobicContact CD2-CD2 3.93Å; V582-L584 HydrophobicContact CG1-CD2 4.22Å; L584-I586 HydrophobicContact CB-CG2 4.09Å
585K88.2Confident76.2Confident69 Ų6979 Ų7930%0.339%0.389SS..EExtended strand (participates in β ladder)trans-95120.7163.4-73.3-167.3-161.8154.30108.4V507 L509 R556 E557V507-K585 HydrophobicContact CG1-CB 3.58Å; V507-K585 HydrophobicContact CG1-CD 3.98Å; V507-K585 HydrophobicContact CG1-CG 3.96Å; L509-K585 HydrophobicContact CD1-CG 3.87Å; R556-K585 PolarHBondContact N-O 2.7Å; E557-K585 HydrophobicContact CB-CB 3.98Å; E557-K585 HydrophobicContact CB-CD 4.45Å; E557-K585 HydrophobicContact CB-CG 4.31Å; E557-K585 HydrophobicContact CG-CB 4.39Å; E557-K585 HydrophobicContact CG-CD 4.29Å; E557-K585 PolarHBondContact N-O 2.75Å; E557-K585 PolarHBondContact O-N 3.14Å; E557-K585 IonicContact OE1-NZ 2.71Å; E557-K585 PolarHBondContact OE1-NZ 2.82Å; E557-K585 VanDerWaalsContact OE2-CD 3.31Å; E557-K585 WeakPolarHBondContact OE2-CD 3.47Å; E557-K585 WeakPolarHBondContact OE2-CE 3.4Å; E557-K585 IonicContact OE2-NZ 3.29Å; E557-K585 PolarHBondContact OE2-NZ 3.2Å
586I88.5Confident74.8Confident0 Ų085.9 Ų85.90%042%0.421CS..EExtended strand (participates in β ladder)trans-126.7155.9-176.665159.8000112.5V507 R508 V510 L549 D553 E554 L555 L584V507-I586 CarbonylContact C-O 3.58Å; V507-I586 VanDerWaalsContact CA-O 3.26Å; V507-I586 WeakPolarHBondContact CA-O 3.32Å; R508-I586 HydrophobicContact CB-CG1 4Å; R508-I586 PolarHBondContact N-O 3.21Å; R508-I586 WeakPolarHBondContact O-CG1 3.47Å; R508-I586 PolarHBondContact O-N 3.01Å; V510-I586 HydrophobicContact CG2-CD1 3.75Å; V510-I586 HydrophobicContact CG2-CG1 3.93Å; L549-I586 HydrophobicContact CD2-CD1 3.85Å; L549-I586 HydrophobicContact CD2-CG2 3.94Å; D553-I586 HydrophobicContact CB-CD1 4.1Å; D553-I586 WeakPolarHBondContact OD2-CD1 3.25Å; E554-I586 CarbonylContact O-C 3.58Å; E554-I586 WeakPolarHBondContact O-CA 3.45Å; E554-I586 VanDerWaalsContact O-CB 3.32Å; E554-I586 WeakPolarHBondContact O-CB 3.19Å; L555-I586 HydrophobicContact CG-CG2 4.27Å; L584-I586 HydrophobicContact CB-CG2 4.09Å
587I86Confident74.1Confident27 Ų2780 Ų8014%0.13840%0.403CS..EExtended strand (participates in β ladder)trans-99.4115.8161.8-57.3165.3000106.7T505 E554 R556T505-I587 HydrophobicContact CG2-CD1 4.4Å; T505-I587 WeakPolarHBondContact OG1-CD1 3.15Å; E554-I587 HydrophobicContact CB-CB 4.11Å; E554-I587 PolarHBondContact N-O 3.12Å; E554-I587 PolarHBondContact O-N 2.93Å; R556-I587 HydrophobicContact CG-CD1 4.17Å; R556-I587 HydrophobicContact CG-CG1 4.32Å
588P81.9Confident73.7Confident58 Ų5881.5 Ų81.538%0.37741%0.406SS..PPolyproline II helixtrans-64.1141.5180-21.833.1000112.5R506 R508R506-P588 WeakPolarHBondContact O-CD 3.49Å; R508-P588 HydrophobicContact CB-CG 3.89Å
589S78.3Confident73.9Confident32 Ų3282.6 Ų82.622%0.22441%0.41CS..PPolyproline II helixtrans-92.1166.9173.859.60000113.3V551 G552 D553 R591V551-S589 PolarHBondContact O-OG 3.35Å; V551-S589 VanDerWaalsContact O-OG 3.1Å; G552-S589 WeakPolarHBondContact O-CB 3.39Å; D553-S589 PolarHBondContact N-OG 3.31Å; D553-S589 PolarHBondContact OD1-N 2.97Å; D553-S589 PolarHBondContact OD1-OG 3.46Å; S589-R591 PolarHBondContact O-N 3.25Å
590Y66.2Low74.4Confident234 Ų23480.1 Ų80.192%0.91840%0.401SS*.PPolyproline II helixtrans-63.9123.8169.4-91.1-84.7000110.2T592Y590-T592 PolarHBondContact O-N 2.77Å
591R63.7Low74.8Confident148 Ų14879.1 Ų79.156%0.55839%0.39SS*.PPolyproline II helixtrans-77.8118.7-175.1-60.2-174.3-171.5-176.24.5110.8S589S589-R591 PolarHBondContact O-N 3.25Å
592T51.1Low75.2Confident123 Ų12378 Ų7876%0.75538%0.377SS*.PPolyproline II helixtrans-96.9128.4156.246.70000107.5Y590 P594Y590-T592 PolarHBondContact O-N 2.77Å; T592-P594 WeakPolarHBondContact O-CD 3.42Å
593H50.3Low75.5Confident157 Ų15778 Ų7873%0.72738%0.377SS*.  trans-90102.1170.8-76.2-75.8000107.4
594P52.1Low75.6Confident78 Ų7880.5 Ų80.551%0.50639%0.387SS..PPolyproline II helixtrans-64.8138.8178.623.8-31.4000110.7T592 D636T592-P594 WeakPolarHBondContact O-CD 3.42Å; P594-D636 WeakPolarHBondContact CB-OD1 3.3Å; P594-D636 WeakPolarHBondContact CB-OD2 3.47Å
595L50.4Low75.5Confident159 Ų15981.7 Ų81.783%0.83239%0.392SS*.PPolyproline II helixtrans-70.2128.2175.9-67.8167.2000108.7C597L595-C597 PolarHBondContact O-N 3.19Å
596Q55.5Low75.6Confident154 Ų15483.1 Ų83.172%0.7240%0.403SS*.PPolyproline II helixtrans-65.3126.1173.7-70.9-179.6-19.100109.5
597C66.4Low75.8Confident29 Ų2983.6 Ų83.620%0.19641%0.405CS..PPolyproline II helixtrans-101.9116.5176.4-170.10000108L595 I632 I633L595-C597 PolarHBondContact O-N 3.19Å; C597-I632 CarbonylContact O-C 3.57Å; C597-I633 PolarHBondContact N-O 3.27Å
598E71.8Confident76Confident153 Ų15384.3 Ų84.372%0.71541%0.409SS*.  trans-111.768.3176.3-69.8-168160.900110.5
599I86.8Confident76.4Confident30 Ų3081.9 Ų81.915%0.15439%0.394CS..EExtended strand (participates in β ladder)trans-111.6151.2172.569168.1000110.6V601 I632I599-V601 HydrophobicContact CD1-CG1 4.05Å; I599-V601 HydrophobicContact CG1-CG1 4.45Å; I599-I632 HydrophobicContact CD1-CB 4.27Å; I599-I632 HydrophobicContact CD1-CG1 4.07Å; I599-I632 HydrophobicContact CG1-CB 3.59Å; I599-I632 HydrophobicContact CG1-CG1 3.74Å; I599-I632 HydrophobicContact CG1-CG2 4.25Å; I599-I632 PolarHBondContact O-N 3.4Å
600Y91.7Very high76.8Confident65 Ų6587.7 Ų87.726%0.25542%0.417SS..EExtended strand (participates in β ladder)trans-112.2137171.1-63.7-88.1000108.9I629 L630 Q631 W646 E716 V717Y600-I629 HydrophobicContact CD1-CG2 4.5Å; Y600-L630 CarbonylContact C-O 3.59Å; Y600-L630 WeakPolarHBondContact CA-O 3.38Å; Y600-Q631 HydrophobicContact CD1-CB 3.8Å; Y600-Q631 HydrophobicContact CD1-CG 4.08Å; Y600-Q631 HydrophobicContact CE1-CB 3.51Å; Y600-Q631 HydrophobicContact CE1-CG 3.48Å; Y600-Q631 VanDerWaalsContact CE1-CG 3.48Å; Y600-Q631 PolarHBondContact OH-NE2 2.7Å; Y600-W646 AromaticContact CD1-CE3 3.67Å; Y600-W646 HydrophobicContact CD1-CE3 3.67Å; Y600-W646 AromaticContact CD1-CZ3 3.96Å; Y600-W646 HydrophobicContact CD1-CZ3 3.96Å; Y600-W646 HydrophobicContact CE1-CD2 4.49Å; Y600-W646 AromaticContact CE1-CE3 3.25Å; Y600-W646 HydrophobicContact CE1-CE3 3.25Å; Y600-W646 HydrophobicContact CE1-CH2 4.49Å; Y600-W646 AromaticContact CE1-CZ3 3.25Å; Y600-W646 HydrophobicContact CE1-CZ3 3.25Å; Y600-W646 AromaticContact CZ-CZ3 3.59Å; Y600-E716 WeakPolarHBondContact O-CA 3.35Å; Y600-V717 WeakPolarHBondContact CB-O 3.49Å; Y600-V717 PolarHBondContact O-N 2.8Å
601V92.9Very high77.6Confident5 Ų582.9 Ų82.93%0.0341%0.408CS..EExtended strand (participates in β ladder)trans-128.4147.2179.2-58.90000110.6I599 I629 L630 I632 Y714 E715I599-V601 HydrophobicContact CD1-CG1 4.05Å; I599-V601 HydrophobicContact CG1-CG1 4.45Å; V601-I629 CarbonylContact O-C 3.57Å; V601-I629 VanDerWaalsContact O-CA 3.31Å; V601-I629 WeakPolarHBondContact O-CA 3.48Å; V601-L630 HydrophobicContact CG2-CB 3.91Å; V601-L630 PolarHBondContact N-O 3.26Å; V601-L630 PolarHBondContact O-N 3.16Å; V601-I632 HydrophobicContact CG1-CG1 4Å; V601-I632 HydrophobicContact CG2-CD1 3.68Å; V601-I632 HydrophobicContact CG2-CG1 3.91Å; V601-Y714 HydrophobicContact CB-CD1 4.27Å; V601-Y714 HydrophobicContact CB-CG 4.46Å; V601-Y714 HydrophobicContact CG2-CD1 3.61Å; V601-Y714 HydrophobicContact CG2-CE1 4.36Å; V601-Y714 HydrophobicContact CG2-CG 4.11Å; V601-E715 CarbonylContact C-O 3.52Å; V601-E715 VanDerWaalsContact CA-O 3.23Å; V601-E715 WeakPolarHBondContact CA-O 3.47Å
602R92.3Very high78.5Confident96 Ų9676.5 Ų76.536%0.36238%0.384SS..EExtended strand (participates in β ladder)trans-91.8128.2166179.8-178.4-67.8145.4-0.5108.8M604 D628 I629 Y714 E715 V717R602-M604 HydrophobicContact CG-SD 4.26Å; R602-D628 CarbonylContact C-O 3.58Å; R602-D628 WeakPolarHBondContact CA-O 3.2Å; R602-I629 HydrophobicContact CB-CD1 3.54Å; R602-I629 HydrophobicContact CG-CD1 3.84Å; R602-Y714 WeakPolarHBondContact O-CA 3.49Å; R602-E715 HydrophobicContact CB-CB 4.29Å; R602-E715 IonicContact CZ-OE2 3.44Å; R602-E715 PolarHBondContact N-O 3.03Å; R602-E715 IonicContact NE-OE2 2.78Å; R602-E715 IonicContact NH1-OE1 2.79Å; R602-E715 IonicContact NH1-OE2 3.68Å; R602-E715 PolarHBondContact NH1-OE2 2.82Å; R602-E715 PolarHBondContact O-N 3.32Å; R602-V717 HydrophobicContact CB-CG1 3.96Å
603A93.2Very high79.7Confident0 Ų078.5 Ų78.50%039%0.39CS..EExtended strand (participates in β ladder)trans-68.6134.2173.400000110.8F624 G627 D628 L630A603-F624 HydrophobicContact CB-CD2 3.42Å; A603-F624 VanDerWaalsContact CB-CD2 3.42Å; A603-F624 HydrophobicContact CB-CE2 3.61Å; A603-F624 HydrophobicContact CB-CG 4.35Å; A603-G627 PolarHBondContact O-N 3.48Å; A603-D628 PolarHBondContact N-O 3.03Å; A603-L630 HydrophobicContact CB-CD1 4.29Å
604M89.7Confident81Confident74 Ų7475.1 Ų75.137%0.36538%0.377SS..  trans-111.97.2-179.6-58.3-57.5-68.100112.9R602 V712 T713 E715R602-M604 HydrophobicContact CG-SD 4.26Å; M604-V712 WeakPolarHBondContact CB-O 3.18Å; M604-V712 HydrophobicContact CG-CB 4.47Å; M604-V712 HydrophobicContact CG-CG1 3.94Å; M604-V712 WeakPolarHBondContact CG-O 3.33Å; M604-T713 WeakPolarHBondContact CB-O 3.32Å; M604-T713 PolarHBondContact N-O 3.48Å; M604-T713 VanDerWaalsContact N-O 3.11Å; M604-E715 HydrophobicContact CG-CB 4.43Å; M604-E715 HydrophobicContact SD-CB 4.18Å
605F89Confident82.3Confident24 Ų2472 Ų7211%0.10536%0.356CS..SBendtrans-143.9161.3174.263.4-78.8000109.8Y607 F624 I626 P658 Q663 T713 Y714F605-Y607 HydrophobicContact CE2-CG 4.48Å; F605-F624 HydrophobicContact CD2-CE2 4.22Å; F605-F624 HydrophobicContact CD2-CZ 4.47Å; F605-F624 HydrophobicContact CE1-CE2 4.36Å; F605-F624 HydrophobicContact CE1-CZ 4.37Å; F605-F624 AromaticContact CE2-CE2 3.93Å; F605-F624 HydrophobicContact CE2-CE2 3.93Å; F605-F624 AromaticContact CE2-CZ 3.74Å; F605-F624 HydrophobicContact CE2-CZ 3.74Å; F605-F624 HydrophobicContact CZ-CE2 4.01Å; F605-F624 AromaticContact CZ-CZ 3.69Å; F605-F624 HydrophobicContact CZ-CZ 3.69Å; F605-F624 VanDerWaalsContact O-CE2 3.29Å; F605-F624 WeakPolarHBondContact O-CE2 3.32Å; F605-I626 VanDerWaalsContact C-CG1 3.48Å; F605-I626 VanDerWaalsContact CA-CG1 3.47Å; F605-P658 HydrophobicContact CE2-CG 3.9Å; F605-P658 HydrophobicContact CZ-CG 3.82Å; F605-Q663 HydrophobicContact CD1-CG 4.11Å; F605-Q663 HydrophobicContact CD2-CG 4.1Å; F605-Q663 VanDerWaalsContact CD2-NE2 3.34Å; F605-Q663 HydrophobicContact CE1-CB 4.44Å; F605-Q663 HydrophobicContact CE1-CG 3.8Å; F605-Q663 HydrophobicContact CE2-CG 3.76Å; F605-Q663 HydrophobicContact CG-CG 4.26Å; F605-Q663 HydrophobicContact CZ-CB 4.07Å; F605-Q663 HydrophobicContact CZ-CG 3.59Å; F605-T713 VanDerWaalsContact CD1-O 3.3Å; F605-T713 WeakPolarHBondContact CD1-O 3.34Å; F605-T713 VanDerWaalsContact CE1-O 3.32Å; F605-T713 WeakPolarHBondContact CE1-O 3.35Å; F605-Y714 HydrophobicContact CE1-CD2 4.49Å; F605-Y714 HydrophobicContact CE1-CE1 4.02Å; F605-Y714 AromaticContact CE1-CE2 3.9Å; F605-Y714 HydrophobicContact CE1-CE2 3.9Å; F605-Y714 AromaticContact CE1-CZ 3.64Å; F605-Y714 HydrophobicContact CZ-CE1 4.36Å; F605-Y714 HydrophobicContact CZ-CE2 4.13Å; F605-Y714 AromaticContact CZ-CZ 3.7Å; F605-Y714 VanDerWaalsContact CZ-OH 3.3Å; F605-Y714 WeakPolarHBondContact CZ-OH 3.41Å
606D89.6Confident83.4Confident100 Ų10067.8 Ų67.854%0.53534%0.339SS..  trans-85.7138.2172.2-58.8-39.7000109.5H625 I626D606-H625 WeakPolarHBondContact OD1-CA 3.34Å; D606-H625 WeakPolarHBondContact OD1-CB 3.08Å; D606-H625 IonicContact OD1-CD2 3.99Å; D606-I626 WeakPolarHBondContact OD1-CG1 3.39Å; D606-I626 PolarHBondContact OD1-N 3.38Å
607Y92.7Very high84.4Confident9 Ų962.6 Ų62.64%0.03532%0.319CS..BIsolated β-bridgetrans-134.4118.2178.9178.5-116.6000111.1F605 P609 D612 I622 H623 F624 W640 P658F605-Y607 HydrophobicContact CE2-CG 4.48Å; Y607-P609 HydrophobicContact CE1-CB 4.16Å; Y607-D612 HydrophobicContact CE2-CB 4.2Å; Y607-D612 WeakPolarHBondContact CE2-OD2 3.49Å; Y607-D612 PolarHBondContact OH-OD2 3.18Å; Y607-I622 VanDerWaalsContact CD1-O 3.23Å; Y607-I622 WeakPolarHBondContact CD1-O 3.42Å; Y607-H623 WeakPolarHBondContact O-CA 3.41Å; Y607-H623 PolarHBondContact O-CD2 3.2Å; Y607-F624 VanDerWaalsContact CB-CE1 3.41Å; Y607-F624 VanDerWaalsContact CB-CE2 3.45Å; Y607-F624 AromaticContact CD1-CD1 3.96Å; Y607-F624 HydrophobicContact CD1-CD1 3.96Å; Y607-F624 AromaticContact CD1-CE1 3.42Å; Y607-F624 HydrophobicContact CD1-CE1 3.42Å; Y607-F624 VanDerWaalsContact CD1-CE1 3.42Å; Y607-F624 HydrophobicContact CD1-CZ 4Å; Y607-F624 HydrophobicContact CG-CD1 4.41Å; Y607-F624 AromaticContact CG-CE1 3.74Å; Y607-F624 HydrophobicContact CG-CE1 3.74Å; Y607-F624 AromaticContact CG-CZ 3.82Å; Y607-F624 HydrophobicContact CG-CZ 3.82Å; Y607-F624 PolarHBondContact N-O 2.98Å; Y607-F624 PolarHBondContact O-N 3.44Å; Y607-F624 VanDerWaalsContact O-N 3.09Å; Y607-W640 VanDerWaalsContact OH-CH2 3.3Å; Y607-W640 WeakPolarHBondContact OH-CH2 3.15Å; Y607-W640 VanDerWaalsContact OH-CZ3 3.26Å; Y607-W640 WeakPolarHBondContact OH-CZ3 3.12Å; Y607-P658 HydrophobicContact CD1-CG 4.4Å; Y607-P658 HydrophobicContact CD2-CG 3.92Å; Y607-P658 HydrophobicContact CE2-CG 4.1Å; Y607-P658 HydrophobicContact CG-CG 4.11Å
608N90.7Very high85.1Confident42 Ų4264.2 Ų64.223%0.22533%0.328CS..  trans-114.8114.2171.6-1752.5000111E610 N611N608-E610 PolarHBondContact O-N 3.04Å; N608-E610 WeakPolarHBondContact OD1-CB 3.32Å; N608-E610 PolarHBondContact OD1-N 3.37Å; N608-N611 PolarHBondContact O-N 2.72Å; N608-N611 VanDerWaalsContact O-N 3.17Å
609P89Confident85.5Confident8 Ų864.2 Ų64.25%0.05233%0.328CS..G310 helixtrans-66-19.417928.7-36.6000113.8Y607 N611 D612 I615 T618Y607-P609 HydrophobicContact CE1-CB 4.16Å; P609-N611 VanDerWaalsContact C-N 3.26Å; P609-N611 PolarHBondContact O-N 3.28Å; P609-D612 PolarHBondContact O-N 3.3Å; P609-I615 HydrophobicContact CB-CD1 3.83Å; P609-T618 WeakPolarHBondContact O-CG2 3.32Å
610E86.9Confident85.5Confident154 Ų15463.6 Ų63.672%0.7233%0.327SS*.G310 helixtrans-70.9-23.7175.4-62.5-176.1158.600113N608 D612N608-E610 PolarHBondContact O-N 3.04Å; N608-E610 WeakPolarHBondContact OD1-CB 3.32Å; N608-E610 PolarHBondContact OD1-N 3.37Å; E610-D612 VanDerWaalsContact C-N 3.32Å
611N84.7Confident85.3Confident133 Ų13361.3 Ų61.371%0.71132%0.323SS*.G310 helixtrans-95.411.5179.8-64.9-20.9000112.2N608 P609N608-N611 PolarHBondContact O-N 2.72Å; N608-N611 VanDerWaalsContact O-N 3.17Å; P609-N611 VanDerWaalsContact C-N 3.26Å; P609-N611 PolarHBondContact O-N 3.28Å
612D81.5Confident85.3Confident13 Ų1362.3 Ų62.37%0.0733%0.328CS..  trans-12099.9-167.1-170.3-13.9000111.6Y607 P609 E610 L614 I615 W640 R666Y607-D612 HydrophobicContact CE2-CB 4.2Å; Y607-D612 WeakPolarHBondContact CE2-OD2 3.49Å; Y607-D612 PolarHBondContact OH-OD2 3.18Å; P609-D612 PolarHBondContact O-N 3.3Å; E610-D612 VanDerWaalsContact C-N 3.32Å; D612-L614 PolarHBondContact O-N 3.01Å; D612-L614 WeakPolarHBondContact OD1-CB 3.43Å; D612-L614 PolarHBondContact OD1-N 3.34Å; D612-I615 HydrophobicContact CB-CB 4.47Å; D612-I615 HydrophobicContact CB-CG2 4.4Å; D612-I615 VanDerWaalsContact O-CG2 3.23Å; D612-I615 WeakPolarHBondContact O-CG2 3.39Å; D612-I615 PolarHBondContact O-N 3.45Å; D612-I615 PolarHBondContact OD1-N 2.98Å; D612-W640 VanDerWaalsContact OD2-CH2 3.25Å; D612-W640 WeakPolarHBondContact OD2-CH2 3.46Å; D612-R666 IonicContact OD1-CZ 3.94Å; D612-R666 IonicContact OD1-NH1 2.81Å; D612-R666 IonicContact OD1-NH2 3.11Å; D612-R666 PolarHBondContact OD1-NH2 3.46Å; D612-R666 IonicContact OD2-CZ 2.79Å; D612-R666 IonicContact OD2-NH1 3.51Å; D612-R666 PolarHBondContact OD2-NH1 2.81Å; D612-R666 IonicContact OD2-NH2 2.76Å; D612-R666 PolarHBondContact OD2-NH2 3.4Å
613D77.4Confident85.3Confident165 Ų16562.3 Ų62.388%0.88233%0.332SS*.THydrogen-bonded Turntrans-71.1-14.2-179.7-59.8-36000113.3
614L77.3Confident85.4Confident86 Ų8662.3 Ų62.345%0.4533%0.332SS..THydrogen-bonded Turntrans-90.3-13.3-178.3-61.4166000112.5D612 P616 W640 W665 R666D612-L614 PolarHBondContact O-N 3.01Å; D612-L614 WeakPolarHBondContact OD1-CB 3.43Å; D612-L614 PolarHBondContact OD1-N 3.34Å; L614-P616 WeakPolarHBondContact O-CD 3.44Å; L614-W640 HydrophobicContact CB-CZ2 4.33Å; L614-W640 WeakPolarHBondContact O-CZ2 3.29Å; L614-W665 HydrophobicContact CD1-CZ3 3.68Å; L614-R666 HydrophobicContact CD1-CG 4.46Å
615I79.5Confident85.5Confident13 Ų1363.2 Ų63.27%0.06734%0.335CS..SBendtrans-68.1129.3178.9-163.4174.8000109.6P609 D612 C617 T618 G621 W640 L656P609-I615 HydrophobicContact CB-CD1 3.83Å; D612-I615 HydrophobicContact CB-CB 4.47Å; D612-I615 HydrophobicContact CB-CG2 4.4Å; D612-I615 VanDerWaalsContact O-CG2 3.23Å; D612-I615 WeakPolarHBondContact O-CG2 3.39Å; D612-I615 PolarHBondContact O-N 3.45Å; D612-I615 PolarHBondContact OD1-N 2.98Å; I615-C617 WeakPolarHBondContact CD1-O 3.31Å; I615-C617 PolarHBondContact O-N 3.11Å; I615-C617 VanDerWaalsContact O-N 3.07Å; I615-T618 HydrophobicContact CG2-CG2 3.72Å; I615-G621 VanDerWaalsContact CD1-CA 3.42Å; I615-W640 HydrophobicContact CB-CH2 3.52Å; I615-W640 HydrophobicContact CB-CZ2 3.82Å; I615-W640 HydrophobicContact CB-CZ3 4.19Å; I615-W640 HydrophobicContact CD1-CH2 4.25Å; I615-W640 HydrophobicContact CD1-CZ3 4.05Å; I615-W640 HydrophobicContact CG1-CE3 4.29Å; I615-W640 HydrophobicContact CG1-CH2 3.64Å; I615-W640 HydrophobicContact CG1-CZ2 4.06Å; I615-W640 HydrophobicContact CG1-CZ3 3.79Å; I615-L656 HydrophobicContact CD1-CB 4.45Å; I615-L656 HydrophobicContact CG1-CD1 4.47Å
616P72Confident85.7Confident71 Ų7167 Ų6746%0.46136%0.356SS..SBendtrans-58.8-26.7-179.8-27.334.8000113.9L614L614-P616 WeakPolarHBondContact O-CD 3.44Å
617C76.7Confident85.6Confident45 Ų4564 Ų6430%0.30435%0.348SS..  trans-159.3116178.8172.20000108.8I615 Q619 A620I615-C617 WeakPolarHBondContact CD1-O 3.31Å; I615-C617 PolarHBondContact O-N 3.11Å; I615-C617 VanDerWaalsContact O-N 3.07Å; C617-Q619 PolarHBondContact O-N 3.02Å; C617-Q619 PolarHBondContact SG-OE1 3.39Å; C617-A620 HydrophobicContact CB-CB 4.18Å; C617-A620 WeakPolarHBondContact O-CB 3.45Å; C617-A620 PolarHBondContact O-N 3.36Å
618T81.1Confident85.7Confident62 Ų6266 Ų6638%0.3836%0.359SS..G310 helixtrans-59-34.7-176.953.20000112.3P609 I615 A620 G621P609-T618 WeakPolarHBondContact O-CG2 3.32Å; I615-T618 HydrophobicContact CG2-CG2 3.72Å; T618-A620 PolarHBondContact O-N 3.47Å; T618-G621 PolarHBondContact O-N 3.35Å; T618-G621 VanDerWaalsContact O-N 3.14Å
619Q81.3Confident85.8Confident154 Ų15465.9 Ų65.972%0.7236%0.358SS*.G310 helixtrans-68.4-19.4177.5-58.785.32.500114C617C617-Q619 PolarHBondContact O-N 3.02Å; C617-Q619 PolarHBondContact SG-OE1 3.39Å
620A85.4Confident86Confident17 Ų1765.5 Ų65.514%0.1436%0.356CS..G310 helixtrans-84.3-14.8176.300000112L538 C617 T618 G655 L656L538-A620 HydrophobicContact CD1-CB 4.4Å; C617-A620 HydrophobicContact CB-CB 4.18Å; C617-A620 WeakPolarHBondContact O-CB 3.45Å; C617-A620 PolarHBondContact O-N 3.36Å; T618-A620 PolarHBondContact O-N 3.47Å; A620-G655 CarbonylContact O-C 3.58Å; A620-G655 WeakPolarHBondContact O-CA 3.25Å; A620-L656 HydrophobicContact CB-CD1 3.79Å; A620-L656 HydrophobicContact CB-CG 4.05Å; A620-L656 PolarHBondContact O-N 3.32Å
621G89.4Confident86.3Confident17 Ų1760 Ų6018%0.17533%0.33CS..BIsolated β-bridgetrans-76.4147.7-176.700000113.7I615 T618 L656I615-G621 VanDerWaalsContact CD1-CA 3.42Å; T618-G621 PolarHBondContact O-N 3.35Å; T618-G621 VanDerWaalsContact O-N 3.14Å; G621-L656 WeakPolarHBondContact CA-O 3.37Å
622I91.8Very high86.6Confident25 Ų2553.7 Ų53.713%0.12830%0.296CS..PPolyproline II helixtrans-99.5117.1172.6-60.3177.6000108.7Y607 F624 L630 A643 L656 I657Y607-I622 VanDerWaalsContact CD1-O 3.23Å; Y607-I622 WeakPolarHBondContact CD1-O 3.42Å; I622-F624 WeakPolarHBondContact O-CD1 3.42Å; I622-L630 HydrophobicContact CG2-CD2 4.39Å; I622-A643 HydrophobicContact CD1-CB 4.44Å; I622-A643 WeakPolarHBondContact CD1-O 3.16Å; I622-L656 PolarHBondContact N-O 3.14Å; I622-I657 HydrophobicContact CB-CG2 3.98Å; I622-I657 HydrophobicContact CD1-CG2 4.36Å; I622-I657 HydrophobicContact CG1-CG2 4.49Å
623H93.2Very high86.9Confident97 Ų9753.8 Ų53.845%0.44930%0.296SS..PPolyproline II helixtrans-71.3128.2167.4-179-132.8000109.8Y607 H625Y607-H623 WeakPolarHBondContact O-CA 3.41Å; Y607-H623 PolarHBondContact O-CD2 3.2Å; H623-H625 AromaticContact CE1-CE1 3.34Å; H623-H625 PolarHBondContact CE1-CE1 3.44Å; H623-H625 AromaticContact CE1-NE2 3.76Å; H623-H625 AromaticContact NE2-CE1 3.8Å; H623-H625 AromaticContact NE2-NE2 3.91Å
624F94.8Very high87.1Confident0 Ų046.3 Ų46.30%026%0.257CS..BIsolated β-bridgetrans-145.6157.6176.661.7-101.7000111.6A603 F605 Y607 I622 D628 L630 I657 Y714A603-F624 HydrophobicContact CB-CD2 3.42Å; A603-F624 VanDerWaalsContact CB-CD2 3.42Å; A603-F624 HydrophobicContact CB-CE2 3.61Å; A603-F624 HydrophobicContact CB-CG 4.35Å; F605-F624 HydrophobicContact CD2-CE2 4.22Å; F605-F624 HydrophobicContact CD2-CZ 4.47Å; F605-F624 HydrophobicContact CE1-CE2 4.36Å; F605-F624 HydrophobicContact CE1-CZ 4.37Å; F605-F624 AromaticContact CE2-CE2 3.93Å; F605-F624 HydrophobicContact CE2-CE2 3.93Å; F605-F624 AromaticContact CE2-CZ 3.74Å; F605-F624 HydrophobicContact CE2-CZ 3.74Å; F605-F624 HydrophobicContact CZ-CE2 4.01Å; F605-F624 AromaticContact CZ-CZ 3.69Å; F605-F624 HydrophobicContact CZ-CZ 3.69Å; F605-F624 VanDerWaalsContact O-CE2 3.29Å; F605-F624 WeakPolarHBondContact O-CE2 3.32Å; Y607-F624 VanDerWaalsContact CB-CE1 3.41Å; Y607-F624 VanDerWaalsContact CB-CE2 3.45Å; Y607-F624 AromaticContact CD1-CD1 3.96Å; Y607-F624 HydrophobicContact CD1-CD1 3.96Å; Y607-F624 AromaticContact CD1-CE1 3.42Å; Y607-F624 HydrophobicContact CD1-CE1 3.42Å; Y607-F624 VanDerWaalsContact CD1-CE1 3.42Å; Y607-F624 HydrophobicContact CD1-CZ 4Å; Y607-F624 HydrophobicContact CG-CD1 4.41Å; Y607-F624 AromaticContact CG-CE1 3.74Å; Y607-F624 HydrophobicContact CG-CE1 3.74Å; Y607-F624 AromaticContact CG-CZ 3.82Å; Y607-F624 HydrophobicContact CG-CZ 3.82Å; Y607-F624 PolarHBondContact N-O 2.98Å; Y607-F624 PolarHBondContact O-N 3.44Å; Y607-F624 VanDerWaalsContact O-N 3.09Å; I622-F624 WeakPolarHBondContact O-CD1 3.42Å; F624-D628 HydrophobicContact CB-CB 4.22Å; F624-L630 HydrophobicContact CB-CD2 4.39Å; F624-L630 HydrophobicContact CD1-CD1 3.93Å; F624-L630 HydrophobicContact CD1-CD2 4.35Å; F624-L630 HydrophobicContact CD2-CD1 4.46Å; F624-L630 HydrophobicContact CE1-CD1 4.04Å; F624-L630 HydrophobicContact CG-CD1 4.15Å; F624-L630 HydrophobicContact CZ-CD1 4.35Å; F624-I657 HydrophobicContact CD1-CG2 4Å; F624-I657 HydrophobicContact CE1-CB 3.91Å; F624-I657 HydrophobicContact CE1-CG2 3.61Å; F624-Y714 HydrophobicContact CZ-CE1 4.22Å; F624-Y714 WeakPolarHBondContact CZ-OH 3.41Å
625H92.7Very high87.4Confident93 Ų9346.1 Ų46.143%0.43125%0.253SS..  trans-113.8164.1176.1-60.484.3000111.6D606 H623 G627 D628D606-H625 WeakPolarHBondContact OD1-CA 3.34Å; D606-H625 WeakPolarHBondContact OD1-CB 3.08Å; D606-H625 IonicContact OD1-CD2 3.99Å; H623-H625 AromaticContact CE1-CE1 3.34Å; H623-H625 PolarHBondContact CE1-CE1 3.44Å; H623-H625 AromaticContact CE1-NE2 3.76Å; H623-H625 AromaticContact NE2-CE1 3.8Å; H623-H625 AromaticContact NE2-NE2 3.91Å; H625-G627 PolarHBondContact O-N 3.23Å; H625-D628 PolarHBondContact N-OD2 3.14Å; H625-D628 VanDerWaalsContact O-CB 3.31Å; H625-D628 WeakPolarHBondContact O-CB 3.38Å; H625-D628 PolarHBondContact O-N 2.87Å
626I91.2Very high87.1Confident104 Ų10450 Ų5053%0.53327%0.274SS..THydrogen-bonded Turntrans-51.2127.1170.9-62.6168.9000110.1F605 D606F605-I626 VanDerWaalsContact C-CG1 3.48Å; F605-I626 VanDerWaalsContact CA-CG1 3.47Å; D606-I626 WeakPolarHBondContact OD1-CG1 3.39Å; D606-I626 PolarHBondContact OD1-N 3.38Å
627G88.3Confident87.2Confident36 Ų3648.9 Ų48.937%0.37126%0.264SS..THydrogen-bonded Turntrans96.4-14.5178.800000114.7A603 H625A603-G627 PolarHBondContact O-N 3.48Å; H625-G627 PolarHBondContact O-N 3.23Å
628D94Very high86.8Confident52 Ų5251.5 Ų51.528%0.27827%0.271SS..  trans-62.2142.6173.7-76.1-20.6000110.6R602 A603 F624 H625 L645R602-D628 CarbonylContact C-O 3.58Å; R602-D628 WeakPolarHBondContact CA-O 3.2Å; A603-D628 PolarHBondContact N-O 3.03Å; F624-D628 HydrophobicContact CB-CB 4.22Å; H625-D628 PolarHBondContact N-OD2 3.14Å; H625-D628 VanDerWaalsContact O-CB 3.31Å; H625-D628 WeakPolarHBondContact O-CB 3.38Å; H625-D628 PolarHBondContact O-N 2.87Å; D628-L645 HydrophobicContact CB-CD1 3.87Å
629I93.2Very high86.7Confident38 Ų3850.6 Ų50.620%0.19526%0.264CS..EExtended strand (participates in β ladder)trans-97.5130.7176.4-53.1-52.4000108.7Y600 V601 R602 W646 V717Y600-I629 HydrophobicContact CD1-CG2 4.5Å; V601-I629 CarbonylContact O-C 3.57Å; V601-I629 VanDerWaalsContact O-CA 3.31Å; V601-I629 WeakPolarHBondContact O-CA 3.48Å; R602-I629 HydrophobicContact CB-CD1 3.54Å; R602-I629 HydrophobicContact CG-CD1 3.84Å; I629-W646 HydrophobicContact CB-CB 3.68Å; I629-W646 HydrophobicContact CB-CG 4.15Å; I629-W646 HydrophobicContact CG2-CB 3.82Å; I629-W646 HydrophobicContact CG2-CG 4.14Å; I629-W646 WeakPolarHBondContact O-CB 3.36Å; I629-W646 PolarHBondContact O-N 3.03Å; I629-V717 HydrophobicContact CD1-CG2 4.08Å; I629-V717 HydrophobicContact CG2-CG2 3.93Å
630L94.1Very high87Confident0 Ų043.8 Ų43.80%023%0.232CC..EExtended strand (participates in β ladder)trans-117.2129.4179.4-60166.7000108.7Y600 V601 A603 I622 F624 A643 R644 L645 I657 Y714Y600-L630 CarbonylContact C-O 3.59Å; Y600-L630 WeakPolarHBondContact CA-O 3.38Å; V601-L630 HydrophobicContact CG2-CB 3.91Å; V601-L630 PolarHBondContact N-O 3.26Å; V601-L630 PolarHBondContact O-N 3.16Å; A603-L630 HydrophobicContact CB-CD1 4.29Å; I622-L630 HydrophobicContact CG2-CD2 4.39Å; F624-L630 HydrophobicContact CB-CD2 4.39Å; F624-L630 HydrophobicContact CD1-CD1 3.93Å; F624-L630 HydrophobicContact CD1-CD2 4.35Å; F624-L630 HydrophobicContact CD2-CD1 4.46Å; F624-L630 HydrophobicContact CE1-CD1 4.04Å; F624-L630 HydrophobicContact CG-CD1 4.15Å; F624-L630 HydrophobicContact CZ-CD1 4.35Å; L630-A643 HydrophobicContact CB-CB 4.44Å; L630-R644 CarbonylContact C-O 3.5Å; L630-R644 WeakPolarHBondContact CA-O 3.41Å; L630-L645 HydrophobicContact CD2-CD1 3.84Å; L630-I657 HydrophobicContact CD1-CD1 3.93Å; L630-I657 HydrophobicContact CD1-CG2 4.39Å; L630-Y714 HydrophobicContact CD1-CD1 4.47Å; L630-Y714 HydrophobicContact CD1-CE1 3.8Å
631Q92.1Very high87.2Confident40 Ų4044 Ų4419%0.18723%0.229CC..EExtended strand (participates in β ladder)trans-81114.4165.3-175.6179.720.900108.1Y600 I633 A643 R644Y600-Q631 HydrophobicContact CD1-CB 3.8Å; Y600-Q631 HydrophobicContact CD1-CG 4.08Å; Y600-Q631 HydrophobicContact CE1-CB 3.51Å; Y600-Q631 HydrophobicContact CE1-CG 3.48Å; Y600-Q631 VanDerWaalsContact CE1-CG 3.48Å; Y600-Q631 PolarHBondContact OH-NE2 2.7Å; Q631-I633 HydrophobicContact CG-CG1 4.37Å; Q631-A643 CarbonylContact O-C 3.56Å; Q631-A643 WeakPolarHBondContact O-CA 3Å; Q631-A643 VanDerWaalsContact O-CB 3.31Å; Q631-A643 WeakPolarHBondContact O-CB 3.39Å; Q631-R644 PolarHBondContact N-O 3.2Å; Q631-R644 PolarHBondContact O-N 3.11Å
632I91.9Very high87.3Confident0 Ų043.9 Ų43.90%022%0.224CC..EExtended strand (participates in β ladder)trans-78.9136.4170.8-51.7-52.9000107.9C597 I599 V601 K635 W641 A643 I657C597-I632 CarbonylContact O-C 3.57Å; I599-I632 HydrophobicContact CD1-CB 4.27Å; I599-I632 HydrophobicContact CD1-CG1 4.07Å; I599-I632 HydrophobicContact CG1-CB 3.59Å; I599-I632 HydrophobicContact CG1-CG1 3.74Å; I599-I632 HydrophobicContact CG1-CG2 4.25Å; I599-I632 PolarHBondContact O-N 3.4Å; V601-I632 HydrophobicContact CG1-CG1 4Å; V601-I632 HydrophobicContact CG2-CD1 3.68Å; V601-I632 HydrophobicContact CG2-CG1 3.91Å; I632-K635 HydrophobicContact CG2-CG 3.82Å; I632-W641 HydrophobicContact CD1-CE3 4.01Å; I632-W641 HydrophobicContact CG1-CE3 4.28Å; I632-W641 HydrophobicContact CG1-CZ3 4.5Å; I632-W641 HydrophobicContact CG2-CE3 4.08Å; I632-A643 HydrophobicContact CD1-CB 3.91Å; I632-I657 HydrophobicContact CD1-CD1 3.59Å
633I86.8Confident87.3Confident14 Ų1442.7 Ų42.77%0.07222%0.218CC..EExtended strand (participates in β ladder)trans-117.7-41-174.6-63.1170.2000110.5H539 C597 Q631 Q642 R644 A654H539-I633 HydrophobicContact CB-CG2 3.77Å; H539-I633 VanDerWaalsContact CD2-CG2 3.47Å; H539-I633 WeakPolarHBondContact CD2-CG2 3.38Å; C597-I633 PolarHBondContact N-O 3.27Å; Q631-I633 HydrophobicContact CG-CG1 4.37Å; I633-Q642 PolarHBondContact N-O 3.31Å; I633-R644 HydrophobicContact CD1-CB 4.27Å; I633-R644 HydrophobicContact CD1-CG 3.59Å; I633-A654 HydrophobicContact CD1-CB 3.63Å
634S83.4Confident87.2Confident8 Ų839.6 Ų39.66%0.05620%0.202CC..EExtended strand (participates in β ladder)trans-145.4139.9175.7160.20000110.4D636 Q642S634-D636 PolarHBondContact OG-N 3.12Å; S634-D636 PolarHBondContact OG-OD2 3.22Å; S634-Q642 PolarHBondContact N-O 2.74Å; S634-Q642 PolarHBondContact O-N 2.94Å
635K82.5Confident87Confident83 Ų8342.4 Ų42.436%0.36122%0.217SC..  trans-113.815.5174.3-59.4-177176.5-177.50112I632 D637 W641I632-K635 HydrophobicContact CG2-CG 3.82Å; K635-D637 PolarHBondContact O-N 3.16Å; K635-W641 HydrophobicContact CB-CD2 4.43Å; K635-W641 HydrophobicContact CB-CZ2 4.46Å; K635-W641 HydrophobicContact CD-CH2 3.94Å; K635-W641 HydrophobicContact CD-CZ2 3.84Å; K635-W641 HydrophobicContact CD-CZ3 4.33Å; K635-W641 HydrophobicContact CG-CD2 3.92Å; K635-W641 HydrophobicContact CG-CE3 4.23Å; K635-W641 HydrophobicContact CG-CG 4.38Å; K635-W641 HydrophobicContact CG-CH2 4.37Å; K635-W641 HydrophobicContact CG-CZ2 4.06Å; K635-W641 HydrophobicContact CG-CZ3 4.45Å
636D73.2Confident86.8Confident95 Ų9543.2 Ų43.251%0.50822%0.216SC..  trans-67.6-25.3-169.9-57.5-41.5000112.6P594 S634P594-D636 WeakPolarHBondContact CB-OD1 3.3Å; P594-D636 WeakPolarHBondContact CB-OD2 3.47Å; S634-D636 PolarHBondContact OG-N 3.12Å; S634-D636 PolarHBondContact OG-OD2 3.22Å
637D74.7Confident86.3Confident47 Ų4741.8 Ų41.825%0.25123%0.227SC..SBendtrans-97.3124.4174.2-170.2-68.2000110R536 K635 N639 W640 W641R536-D637 IonicContact CZ-OD2 3.84Å; R536-D637 IonicContact NE-OD2 3.89Å; R536-D637 PolarHBondContact NE-OD2 2.77Å; R536-D637 VanDerWaalsContact NH2-CG 3.28Å; R536-D637 IonicContact NH2-OD1 3.13Å; R536-D637 IonicContact NH2-OD2 2.77Å; R536-D637 PolarHBondContact NH2-OD2 3.4Å; K635-D637 PolarHBondContact O-N 3.16Å; D637-N639 VanDerWaalsContact C-N 3.26Å; D637-N639 PolarHBondContact O-N 3.38Å; D637-N639 PolarHBondContact OD1-N 2.89Å; D637-W640 WeakPolarHBondContact CB-O 3.5Å; D637-W640 PolarHBondContact OD1-N 3.01Å; D637-W641 VanDerWaalsContact O-CD1 3.26Å
638H68.5Low86.1Confident100 Ų10042.7 Ų42.746%0.46323%0.228SC..SBendtrans-66.7-24.5-176.3-79.9-68000114.3A109 S659A109-H638 WeakPolarHBondContact O-CB 3.45Å; H638-S659 WeakPolarHBondContact O-CB 3.48Å; H638-S659 PolarHBondContact O-OG 3.37Å
639N78.9Confident85.4Confident42 Ų4246.4 Ų46.423%0.22525%0.248CC..SBendtrans-100.6-33.1-178.4-76.1-28.8000111.7D637 S659 L662D637-N639 VanDerWaalsContact C-N 3.26Å; D637-N639 PolarHBondContact O-N 3.38Å; D637-N639 PolarHBondContact OD1-N 2.89Å; N639-S659 PolarHBondContact O-N 3.17Å; N639-S659 PolarHBondContact O-OG 2.96Å; N639-L662 HydrophobicContact CB-CB 4.49Å; N639-L662 HydrophobicContact CB-CD2 4.13Å; N639-L662 WeakPolarHBondContact O-CB 3.5Å; N639-L662 WeakPolarHBondContact O-CD2 3.44Å
640W86.4Confident84.3Confident11 Ų1149.8 Ų49.84%0.04227%0.274CS..EExtended strand (participates in β ladder)trans-132.392.9-167.2-67.5102.1000112.5Y607 D612 L614 I615 D637 L656 I657 P658 L662Y607-W640 VanDerWaalsContact OH-CH2 3.3Å; Y607-W640 WeakPolarHBondContact OH-CH2 3.15Å; Y607-W640 VanDerWaalsContact OH-CZ3 3.26Å; Y607-W640 WeakPolarHBondContact OH-CZ3 3.12Å; D612-W640 VanDerWaalsContact OD2-CH2 3.25Å; D612-W640 WeakPolarHBondContact OD2-CH2 3.46Å; L614-W640 HydrophobicContact CB-CZ2 4.33Å; L614-W640 WeakPolarHBondContact O-CZ2 3.29Å; I615-W640 HydrophobicContact CB-CH2 3.52Å; I615-W640 HydrophobicContact CB-CZ2 3.82Å; I615-W640 HydrophobicContact CB-CZ3 4.19Å; I615-W640 HydrophobicContact CD1-CH2 4.25Å; I615-W640 HydrophobicContact CD1-CZ3 4.05Å; I615-W640 HydrophobicContact CG1-CE3 4.29Å; I615-W640 HydrophobicContact CG1-CH2 3.64Å; I615-W640 HydrophobicContact CG1-CZ2 4.06Å; I615-W640 HydrophobicContact CG1-CZ3 3.79Å; D637-W640 WeakPolarHBondContact CB-O 3.5Å; D637-W640 PolarHBondContact OD1-N 3.01Å; W640-L656 HydrophobicContact CB-CD2 4.29Å; W640-L656 HydrophobicContact CE3-CB 3.98Å; W640-I657 CarbonylContact C-O 3.6Å; W640-I657 WeakPolarHBondContact CA-O 3.49Å; W640-P658 HydrophobicContact CZ3-CB 4.39Å; W640-L662 HydrophobicContact CD2-CD2 4.16Å; W640-L662 HydrophobicContact CH2-CD2 4.06Å; W640-L662 HydrophobicContact CZ2-CD2 3.57Å; W640-L662 HydrophobicContact CZ3-CD2 4.49Å
641W90.6Very high83.2Confident22 Ų2258.3 Ų58.38%0.08331%0.313CS..EExtended strand (participates in β ladder)trans-71148.4174.9-69.64.7000111.4I632 K635 D637 L656 I657 P660I632-W641 HydrophobicContact CD1-CE3 4.01Å; I632-W641 HydrophobicContact CG1-CE3 4.28Å; I632-W641 HydrophobicContact CG1-CZ3 4.5Å; I632-W641 HydrophobicContact CG2-CE3 4.08Å; K635-W641 HydrophobicContact CB-CD2 4.43Å; K635-W641 HydrophobicContact CB-CZ2 4.46Å; K635-W641 HydrophobicContact CD-CH2 3.94Å; K635-W641 HydrophobicContact CD-CZ2 3.84Å; K635-W641 HydrophobicContact CD-CZ3 4.33Å; K635-W641 HydrophobicContact CG-CD2 3.92Å; K635-W641 HydrophobicContact CG-CE3 4.23Å; K635-W641 HydrophobicContact CG-CG 4.38Å; K635-W641 HydrophobicContact CG-CH2 4.37Å; K635-W641 HydrophobicContact CG-CZ2 4.06Å; K635-W641 HydrophobicContact CG-CZ3 4.45Å; D637-W641 VanDerWaalsContact O-CD1 3.26Å; W641-L656 WeakPolarHBondContact O-CA 3.45Å; W641-I657 HydrophobicContact CB-CD1 4.38Å; W641-I657 HydrophobicContact CB-CG1 3.89Å; W641-I657 PolarHBondContact N-O 3.22Å; W641-I657 PolarHBondContact O-N 2.84Å; W641-P660 HydrophobicContact CH2-CG 3.39Å; W641-P660 HydrophobicContact CZ2-CG 3.74Å; W641-P660 HydrophobicContact CZ3-CG 3.92Å
642Q90.9Very high82.5Confident14 Ų1458.1 Ų58.17%0.06532%0.318CS..EExtended strand (participates in β ladder)trans-92.1125.4171.4-57.3-163.44100109.4I537 I633 S634 A654 G655 L656I537-Q642 PolarHBondContact O-NE2 2.84Å; I633-Q642 PolarHBondContact N-O 3.31Å; S634-Q642 PolarHBondContact N-O 2.74Å; S634-Q642 PolarHBondContact O-N 2.94Å; Q642-A654 HydrophobicContact CB-CB 4.05Å; Q642-G655 CarbonylContact C-O 3.42Å; Q642-G655 WeakPolarHBondContact CA-O 3.4Å; Q642-L656 HydrophobicContact CG-CD2 4.26Å
643A92.5Very high82Confident0 Ų061.2 Ų61.20%034%0.338CS..EExtended strand (participates in β ladder)trans-140.9173.7-179.100000112.2I622 L630 Q631 I632 A654 G655 I657I622-A643 HydrophobicContact CD1-CB 4.44Å; I622-A643 WeakPolarHBondContact CD1-O 3.16Å; L630-A643 HydrophobicContact CB-CB 4.44Å; Q631-A643 CarbonylContact O-C 3.56Å; Q631-A643 WeakPolarHBondContact O-CA 3Å; Q631-A643 VanDerWaalsContact O-CB 3.31Å; Q631-A643 WeakPolarHBondContact O-CB 3.39Å; I632-A643 HydrophobicContact CD1-CB 3.91Å; A643-A654 WeakPolarHBondContact O-CA 3.36Å; A643-G655 PolarHBondContact N-O 3.2Å; A643-G655 PolarHBondContact O-N 2.84Å; A643-I657 HydrophobicContact CB-CD1 3.58Å; A643-I657 HydrophobicContact CB-CG1 3.94Å; A643-I657 HydrophobicContact CB-CG2 4.13Å
644R91.1Very high82.1Confident32 Ų3260.7 Ų60.712%0.12134%0.336CS..EExtended strand (participates in β ladder)trans-135.8146.3166.6-73.9175-170.4143.8-6.9109.5L630 Q631 I633 W646 C650 A652L630-R644 CarbonylContact C-O 3.5Å; L630-R644 WeakPolarHBondContact CA-O 3.41Å; Q631-R644 PolarHBondContact N-O 3.2Å; Q631-R644 PolarHBondContact O-N 3.11Å; I633-R644 HydrophobicContact CD1-CB 4.27Å; I633-R644 HydrophobicContact CD1-CG 3.59Å; R644-W646 PolarHBondContact O-N 3.41Å; R644-C650 PolarHBondContact NH1-O 3.34Å; R644-A652 PolarHBondContact NE-O 2.87Å; R644-A652 PolarHBondContact NH2-O 3.39Å
645L91.1Very high82.4Confident59 Ų5960.7 Ų60.731%0.30934%0.338SS..EExtended strand (participates in β ladder)trans-64.1133.1168.1-162.275000109.6D628 L630 G647 S648D628-L645 HydrophobicContact CB-CD1 3.87Å; L630-L645 HydrophobicContact CD2-CD1 3.84Å; L645-G647 PolarHBondContact O-N 2.83Å; L645-S648 VanDerWaalsContact O-CB 3.27Å; L645-S648 WeakPolarHBondContact O-CB 3.29Å; L645-S648 PolarHBondContact O-N 3.21Å; L645-S648 VanDerWaalsContact O-N 3.13Å; L645-S648 PolarHBondContact O-OG 2.89Å
646W87.2Confident82.9Confident110 Ų11056.8 Ų56.842%0.41732%0.321SS..THydrogen-bonded Turntrans-62127.6176174.4-101.8000110.6Y600 I629 R644Y600-W646 AromaticContact CD1-CE3 3.67Å; Y600-W646 HydrophobicContact CD1-CE3 3.67Å; Y600-W646 AromaticContact CD1-CZ3 3.96Å; Y600-W646 HydrophobicContact CD1-CZ3 3.96Å; Y600-W646 HydrophobicContact CE1-CD2 4.49Å; Y600-W646 AromaticContact CE1-CE3 3.25Å; Y600-W646 HydrophobicContact CE1-CE3 3.25Å; Y600-W646 HydrophobicContact CE1-CH2 4.49Å; Y600-W646 AromaticContact CE1-CZ3 3.25Å; Y600-W646 HydrophobicContact CE1-CZ3 3.25Å; Y600-W646 AromaticContact CZ-CZ3 3.59Å; I629-W646 HydrophobicContact CB-CB 3.68Å; I629-W646 HydrophobicContact CB-CG 4.15Å; I629-W646 HydrophobicContact CG2-CB 3.82Å; I629-W646 HydrophobicContact CG2-CG 4.14Å; I629-W646 WeakPolarHBondContact O-CB 3.36Å; I629-W646 PolarHBondContact O-N 3.03Å; R644-W646 PolarHBondContact O-N 3.41Å
647G82Confident83.8Confident74 Ų7452.3 Ų52.376%0.76330%0.297SS*.THydrogen-bonded Turntrans95-8.4-175.900000114.5L645L645-G647 PolarHBondContact O-N 2.83Å
648S84.2Confident84.6Confident56 Ų5650 Ų5039%0.39229%0.285SS..SBendtrans-68.3159.8167.2-63.50000111.7L645 C650L645-S648 VanDerWaalsContact O-CB 3.27Å; L645-S648 WeakPolarHBondContact O-CB 3.29Å; L645-S648 PolarHBondContact O-N 3.21Å; L645-S648 VanDerWaalsContact O-N 3.13Å; L645-S648 PolarHBondContact O-OG 2.89Å; S648-C650 PolarHBondContact O-N 2.88Å
649D77.2Confident85.5Confident129 Ų12945.3 Ų45.369%0.6926%0.263SS*.  trans-54.5126.5177-71.4-24.6000111.3Q651 A652D649-Q651 PolarHBondContact O-N 2.98Å; D649-A652 HydrophobicContact CB-CB 4.32Å; D649-A652 WeakPolarHBondContact O-CB 3.4Å; D649-A652 PolarHBondContact O-N 3.3Å
650C71.7Confident85.7Confident110 Ų11044.2 Ų44.274%0.74326%0.258SS*.THydrogen-bonded Turntrans-61.2-18.3-179.1-55.10000113.3R644 S648R644-C650 PolarHBondContact NH1-O 3.34Å; S648-C650 PolarHBondContact O-N 2.88Å
651Q70.7Confident85Confident179 Ų17947 Ų4784%0.83627%0.271SS*.THydrogen-bonded Turntrans-92.8-10.3178.4-65.7-175.6-3.500113.8D649D649-Q651 PolarHBondContact O-N 2.98Å
652A77.6Confident84.4Confident35 Ų3546.4 Ų46.429%0.28927%0.27SS..SBendtrans-63.5146177.400000110.6R644 D649R644-A652 PolarHBondContact NE-O 2.87Å; R644-A652 PolarHBondContact NH2-O 3.39Å; D649-A652 HydrophobicContact CB-CB 4.32Å; D649-A652 WeakPolarHBondContact O-CB 3.4Å; D649-A652 PolarHBondContact O-N 3.3Å
653P81.2Confident84.1Confident65 Ų6546.9 Ų46.942%0.42227%0.272SS..PPolyproline II helixtrans-59.8146.6173.826.3-33.5000110.4
654A87.6Confident83.2Confident3 Ų350.6 Ų50.63%0.02529%0.29CS..PPolyproline II helixtrans-64.2141.8168.900000109.4H539 I633 Q642 A643H539-A654 HydrophobicContact CB-CB 4.02Å; H539-A654 WeakPolarHBondContact O-CB 3.43Å; H539-A654 PolarHBondContact O-N 2.9Å; I633-A654 HydrophobicContact CD1-CB 3.63Å; Q642-A654 HydrophobicContact CB-CB 4.05Å; A643-A654 WeakPolarHBondContact O-CA 3.36Å
655G90.8Very high82Confident9 Ų952.4 Ų52.49%0.09330%0.296CS..EExtended strand (participates in β ladder)trans-105.7175.2170.700000111.1A620 Q642 A643A620-G655 CarbonylContact O-C 3.58Å; A620-G655 WeakPolarHBondContact O-CA 3.25Å; Q642-G655 CarbonylContact C-O 3.42Å; Q642-G655 WeakPolarHBondContact CA-O 3.4Å; A643-G655 PolarHBondContact N-O 3.2Å; A643-G655 PolarHBondContact O-N 2.84Å
656L92.5Very high81.2Confident1 Ų151.6 Ų51.61%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-95.7137.2-177.4-58.3177.1000110.5L538 I615 A620 G621 I622 W640 W641 Q642L538-L656 HydrophobicContact CD2-CD2 3.86Å; L538-L656 HydrophobicContact CD2-CG 4.26Å; I615-L656 HydrophobicContact CD1-CB 4.45Å; I615-L656 HydrophobicContact CG1-CD1 4.47Å; A620-L656 HydrophobicContact CB-CD1 3.79Å; A620-L656 HydrophobicContact CB-CG 4.05Å; A620-L656 PolarHBondContact O-N 3.32Å; G621-L656 WeakPolarHBondContact CA-O 3.37Å; I622-L656 PolarHBondContact N-O 3.14Å; W640-L656 HydrophobicContact CB-CD2 4.29Å; W640-L656 HydrophobicContact CE3-CB 3.98Å; W641-L656 WeakPolarHBondContact O-CA 3.45Å; Q642-L656 HydrophobicContact CG-CD2 4.26Å
657I93.3Very high80.2Confident0 Ų050.5 Ų50.50%029%0.29CS..EExtended strand (participates in β ladder)trans-127.6150.6167.763.9171.6000108.2I622 F624 L630 I632 W640 W641 A643 S659 Y714I622-I657 HydrophobicContact CB-CG2 3.98Å; I622-I657 HydrophobicContact CD1-CG2 4.36Å; I622-I657 HydrophobicContact CG1-CG2 4.49Å; F624-I657 HydrophobicContact CD1-CG2 4Å; F624-I657 HydrophobicContact CE1-CB 3.91Å; F624-I657 HydrophobicContact CE1-CG2 3.61Å; L630-I657 HydrophobicContact CD1-CD1 3.93Å; L630-I657 HydrophobicContact CD1-CG2 4.39Å; I632-I657 HydrophobicContact CD1-CD1 3.59Å; W640-I657 CarbonylContact C-O 3.6Å; W640-I657 WeakPolarHBondContact CA-O 3.49Å; W641-I657 HydrophobicContact CB-CD1 4.38Å; W641-I657 HydrophobicContact CB-CG1 3.89Å; W641-I657 PolarHBondContact N-O 3.22Å; W641-I657 PolarHBondContact O-N 2.84Å; A643-I657 HydrophobicContact CB-CD1 3.58Å; A643-I657 HydrophobicContact CB-CG1 3.94Å; A643-I657 HydrophobicContact CB-CG2 4.13Å; I657-S659 PolarHBondContact O-N 3.46Å; I657-Y714 HydrophobicContact CD1-CE1 4.17Å
658P91.2Very high79.2Confident0 Ų048.2 Ų48.20%026%0.264CS..EExtended strand (participates in β ladder)trans-61.6138172.627.2-34.8000109.3F605 Y607 W640 L662 Y714F605-P658 HydrophobicContact CE2-CG 3.9Å; F605-P658 HydrophobicContact CZ-CG 3.82Å; Y607-P658 HydrophobicContact CD1-CG 4.4Å; Y607-P658 HydrophobicContact CD2-CG 3.92Å; Y607-P658 HydrophobicContact CE2-CG 4.1Å; Y607-P658 HydrophobicContact CG-CG 4.11Å; W640-P658 HydrophobicContact CZ3-CB 4.39Å; P658-L662 HydrophobicContact CB-CB 4.38Å; P658-L662 HydrophobicContact CB-CD2 3.95Å; P658-L662 HydrophobicContact CB-CG 4.28Å; P658-Y714 WeakPolarHBondContact O-CE2 3.37Å; P658-Y714 PolarHBondContact O-OH 3.22Å
659S86.4Confident78Confident0 Ų047.3 Ų47.30%026%0.255CS..  trans-64.3160.8169.765.30000110.7H638 N639 I657 E661 L662 Q663H638-S659 WeakPolarHBondContact O-CB 3.48Å; H638-S659 PolarHBondContact O-OG 3.37Å; N639-S659 PolarHBondContact O-N 3.17Å; N639-S659 PolarHBondContact O-OG 2.96Å; I657-S659 PolarHBondContact O-N 3.46Å; S659-E661 VanDerWaalsContact CB-OE2 3.31Å; S659-E661 WeakPolarHBondContact CB-OE2 3.2Å; S659-E661 PolarHBondContact O-N 3.37Å; S659-E661 PolarHBondContact OG-OE2 2.87Å; S659-L662 PolarHBondContact O-N 3.25Å; S659-L662 WeakPolarHBondContact OG-CB 3.41Å; S659-L662 PolarHBondContact OG-N 3.26Å; S659-Q663 WeakPolarHBondContact O-CB 3.33Å; S659-Q663 PolarHBondContact O-N 3.06Å
660P82.7Confident77.3Confident20 Ų2047.9 Ų47.913%0.1325%0.251CS..Hα-helixtrans-45.7-45.9167.2-25.230.3000112W641 Q663 E664 T713 Y714W641-P660 HydrophobicContact CH2-CG 3.39Å; W641-P660 HydrophobicContact CZ2-CG 3.74Å; W641-P660 HydrophobicContact CZ3-CG 3.92Å; P660-Q663 PolarHBondContact O-N 3.25Å; P660-E664 WeakPolarHBondContact O-CB 3.22Å; P660-E664 VanDerWaalsContact O-CG 3.24Å; P660-E664 WeakPolarHBondContact O-CG 3.5Å; P660-E664 PolarHBondContact O-N 3.25Å; P660-T713 WeakPolarHBondContact CA-OG1 3.21Å; P660-T713 WeakPolarHBondContact CB-OG1 3.29Å; P660-Y714 HydrophobicContact CG-CD2 3.95Å; P660-Y714 HydrophobicContact CG-CE2 4.45Å
661E72.7Confident76.4Confident68 Ų6845.5 Ų45.532%0.31824%0.239SC..Hα-helixtrans-66.2-45.4-176.1-61.682.9175.200112.2S659 Q663 E664 W665S659-E661 VanDerWaalsContact CB-OE2 3.31Å; S659-E661 WeakPolarHBondContact CB-OE2 3.2Å; S659-E661 PolarHBondContact O-N 3.37Å; S659-E661 PolarHBondContact OG-OE2 2.87Å; E661-Q663 VanDerWaalsContact C-N 3.31Å; E661-Q663 PolarHBondContact O-N 3.3Å; E661-E664 PolarHBondContact O-N 3.28Å; E661-W665 WeakPolarHBondContact O-CB 3.3Å; E661-W665 PolarHBondContact O-N 2.91Å
662L78.5Confident75.1Confident11 Ų1138.2 Ų38.26%0.05821%0.21CC..Hα-helixtrans-64.1-40.3177179.161.6000111N639 W640 P658 S659 W665 R666N639-L662 HydrophobicContact CB-CB 4.49Å; N639-L662 HydrophobicContact CB-CD2 4.13Å; N639-L662 WeakPolarHBondContact O-CB 3.5Å; N639-L662 WeakPolarHBondContact O-CD2 3.44Å; W640-L662 HydrophobicContact CD2-CD2 4.16Å; W640-L662 HydrophobicContact CH2-CD2 4.06Å; W640-L662 HydrophobicContact CZ2-CD2 3.57Å; W640-L662 HydrophobicContact CZ3-CD2 4.49Å; P658-L662 HydrophobicContact CB-CB 4.38Å; P658-L662 HydrophobicContact CB-CD2 3.95Å; P658-L662 HydrophobicContact CB-CG 4.28Å; S659-L662 PolarHBondContact O-N 3.25Å; S659-L662 WeakPolarHBondContact OG-CB 3.41Å; S659-L662 PolarHBondContact OG-N 3.26Å; L662-W665 HydrophobicContact CD1-CE3 4.15Å; L662-W665 PolarHBondContact O-N 3.02Å; L662-R666 VanDerWaalsContact O-CG 3.28Å; L662-R666 WeakPolarHBondContact O-CG 3.28Å; L662-R666 PolarHBondContact O-N 2.81Å
663Q83.9Confident73.5Confident24 Ų2442.7 Ų42.711%0.11223%0.225CC..Hα-helixtrans-68.9-41.7179.4-175.862.11400111.9F605 S659 P660 E661 W665 R666 M667 T713F605-Q663 HydrophobicContact CD1-CG 4.11Å; F605-Q663 HydrophobicContact CD2-CG 4.1Å; F605-Q663 VanDerWaalsContact CD2-NE2 3.34Å; F605-Q663 HydrophobicContact CE1-CB 4.44Å; F605-Q663 HydrophobicContact CE1-CG 3.8Å; F605-Q663 HydrophobicContact CE2-CG 3.76Å; F605-Q663 HydrophobicContact CG-CG 4.26Å; F605-Q663 HydrophobicContact CZ-CB 4.07Å; F605-Q663 HydrophobicContact CZ-CG 3.59Å; S659-Q663 WeakPolarHBondContact O-CB 3.33Å; S659-Q663 PolarHBondContact O-N 3.06Å; P660-Q663 PolarHBondContact O-N 3.25Å; E661-Q663 VanDerWaalsContact C-N 3.31Å; E661-Q663 PolarHBondContact O-N 3.3Å; Q663-W665 VanDerWaalsContact C-N 3.33Å; Q663-W665 PolarHBondContact O-N 3.13Å; Q663-R666 PolarHBondContact O-N 3.45Å; Q663-M667 WeakPolarHBondContact O-CG 3.4Å; Q663-M667 PolarHBondContact O-N 3.12Å; Q663-M667 VanDerWaalsContact O-N 3.08Å; Q663-T713 HydrophobicContact CB-CG2 3.95Å; Q663-T713 HydrophobicContact CG-CG2 3.88Å
664E73.2Confident72Confident77 Ų7744.3 Ų44.336%0.3623%0.229SC..Hα-helixtrans-60.2-44.1173.7-77.1172.6-163.700111.5P660 E661 R666 M667 A668 L711 T713P660-E664 WeakPolarHBondContact O-CB 3.22Å; P660-E664 VanDerWaalsContact O-CG 3.24Å; P660-E664 WeakPolarHBondContact O-CG 3.5Å; P660-E664 PolarHBondContact O-N 3.25Å; E661-E664 PolarHBondContact O-N 3.28Å; E664-R666 PolarHBondContact O-N 3.37Å; E664-M667 PolarHBondContact O-N 3.26Å; E664-A668 WeakPolarHBondContact O-CB 3.25Å; E664-A668 PolarHBondContact O-N 3.37Å; E664-L711 HydrophobicContact CG-CB 3.98Å; E664-L711 HydrophobicContact CG-CD1 4.25Å; E664-T713 HydrophobicContact CG-CG2 4.06Å
665W67.4Low70.2Confident70 Ų7047.6 Ų47.627%0.26525%0.252SS..Hα-helixtrans-60.5-45.7176.117766.5000112.5V112 L614 E661 L662 Q663 M667 A668 N669V112-W665 HydrophobicContact CB-CG 4.22Å; V112-W665 HydrophobicContact CG2-CD2 3.99Å; V112-W665 VanDerWaalsContact CG2-CE2 3.44Å; V112-W665 HydrophobicContact CG2-CG 3.69Å; V112-W665 HydrophobicContact CG2-CZ2 4.18Å; L614-W665 HydrophobicContact CD1-CZ3 3.68Å; E661-W665 WeakPolarHBondContact O-CB 3.3Å; E661-W665 PolarHBondContact O-N 2.91Å; L662-W665 HydrophobicContact CD1-CE3 4.15Å; L662-W665 PolarHBondContact O-N 3.02Å; Q663-W665 VanDerWaalsContact C-N 3.33Å; Q663-W665 PolarHBondContact O-N 3.13Å; W665-M667 VanDerWaalsContact C-N 3.31Å; W665-M667 PolarHBondContact O-N 3.48Å; W665-A668 WeakPolarHBondContact O-CB 3.34Å; W665-A668 PolarHBondContact O-N 3.17Å; W665-N669 WeakPolarHBondContact CH2-ND2 3.34Å; W665-N669 WeakPolarHBondContact CZ2-ND2 3.5Å; W665-N669 PolarHBondContact NE1-ND2 3.01Å; W665-N669 PolarHBondContact NE1-OD1 3.34Å; W665-N669 PolarHBondContact O-N 3.24Å
666R72.4Confident67.8Low42 Ų4253.8 Ų53.816%0.15828%0.279CS..Hα-helixtrans-57.7-44.8176.6-74.1168.3-176.4-164.3-7.3112D612 L614 L662 Q663 E664 A668 N669 K670D612-R666 IonicContact OD1-CZ 3.94Å; D612-R666 IonicContact OD1-NH1 2.81Å; D612-R666 IonicContact OD1-NH2 3.11Å; D612-R666 PolarHBondContact OD1-NH2 3.46Å; D612-R666 IonicContact OD2-CZ 2.79Å; D612-R666 IonicContact OD2-NH1 3.51Å; D612-R666 PolarHBondContact OD2-NH1 2.81Å; D612-R666 IonicContact OD2-NH2 2.76Å; D612-R666 PolarHBondContact OD2-NH2 3.4Å; L614-R666 HydrophobicContact CD1-CG 4.46Å; L662-R666 VanDerWaalsContact O-CG 3.28Å; L662-R666 WeakPolarHBondContact O-CG 3.28Å; L662-R666 PolarHBondContact O-N 2.81Å; Q663-R666 PolarHBondContact O-N 3.45Å; E664-R666 PolarHBondContact O-N 3.37Å; R666-A668 VanDerWaalsContact C-N 3.34Å; R666-N669 PolarHBondContact O-N 3.46Å; R666-K670 WeakPolarHBondContact O-CB 3.32Å; R666-K670 PolarHBondContact O-N 3.04Å
667M67.9Low65.1Low87 Ų8760.5 Ų60.543%0.42931%0.31SS..Hα-helixtrans-67.1-38.1179.3-69.4-1776800111.7Q663 E664 W665 A671 L711Q663-M667 WeakPolarHBondContact O-CG 3.4Å; Q663-M667 PolarHBondContact O-N 3.12Å; Q663-M667 VanDerWaalsContact O-N 3.08Å; E664-M667 PolarHBondContact O-N 3.26Å; W665-M667 VanDerWaalsContact C-N 3.31Å; W665-M667 PolarHBondContact O-N 3.48Å; M667-A671 VanDerWaalsContact O-CB 3.29Å; M667-A671 WeakPolarHBondContact O-CB 3.25Å; M667-A671 PolarHBondContact O-N 2.96Å; M667-L711 HydrophobicContact CE-CD2 3.48Å; M667-L711 VanDerWaalsContact CE-CD2 3.48Å; M667-L711 HydrophobicContact SD-CD2 3.79Å
668A60.8Low62.5Low27 Ų2767.9 Ų67.922%0.22335%0.346CS..Hα-helixtrans-63.5-45.7175.400000112K304 E664 W665 R666 A671 A672K304-A668 HydrophobicContact CD-CB 4.4Å; E664-A668 WeakPolarHBondContact O-CB 3.25Å; E664-A668 PolarHBondContact O-N 3.37Å; W665-A668 WeakPolarHBondContact O-CB 3.34Å; W665-A668 PolarHBondContact O-N 3.17Å; R666-A668 VanDerWaalsContact C-N 3.34Å; A668-A671 PolarHBondContact O-N 3.01Å; A668-A672 PolarHBondContact O-N 3.2Å
669N58.3Low59.7Low36 Ų3671 Ų7119%0.19338%0.378CS..Hα-helixtrans-65.5-44.6177.1-81.54.1000112.5W665 R666 A671 A672 E673W665-N669 WeakPolarHBondContact CH2-ND2 3.34Å; W665-N669 WeakPolarHBondContact CZ2-ND2 3.5Å; W665-N669 PolarHBondContact NE1-ND2 3.01Å; W665-N669 PolarHBondContact NE1-OD1 3.34Å; W665-N669 PolarHBondContact O-N 3.24Å; R666-N669 PolarHBondContact O-N 3.46Å; N669-A671 VanDerWaalsContact C-N 3.29Å; N669-A671 PolarHBondContact O-N 3.14Å; N669-A672 CarbonylContact O-C 3.54Å; N669-A672 WeakPolarHBondContact O-CA 3.36Å; N669-A672 WeakPolarHBondContact O-CB 3.35Å; N669-A672 PolarHBondContact O-N 2.85Å; N669-E673 PolarHBondContact O-N 3.16Å
670K62.9Low56.8Low141 Ų14177 Ų7761%0.61341%0.409SS*.Hα-helixtrans-63.6-36.9178.1-164.6170.6-171.9170.10111.9R666 A672 L674R666-K670 WeakPolarHBondContact O-CB 3.32Å; R666-K670 PolarHBondContact O-N 3.04Å; K670-A672 VanDerWaalsContact C-N 3.34Å; K670-L674 HydrophobicContact CG-CD1 4.43Å; K670-L674 WeakPolarHBondContact O-CB 3.33Å; K670-L674 WeakPolarHBondContact O-CD1 3.28Å; K670-L674 VanDerWaalsContact O-CG 3.25Å; K670-L674 WeakPolarHBondContact O-CG 3.43Å; K670-L674 PolarHBondContact O-N 3.31Å
671A51.5Low54.2Low60 Ų6081.5 Ų81.550%0.49644%0.436SS..Hα-helixtrans-66-36.5172.300000112.1M667 A668 N669 S675M667-A671 VanDerWaalsContact O-CB 3.29Å; M667-A671 WeakPolarHBondContact O-CB 3.25Å; M667-A671 PolarHBondContact O-N 2.96Å; A668-A671 PolarHBondContact O-N 3.01Å; N669-A671 VanDerWaalsContact C-N 3.29Å; N669-A671 PolarHBondContact O-N 3.14Å; A671-S675 WeakPolarHBondContact O-CB 3.22Å; A671-S675 PolarHBondContact O-N 2.69Å
672A43.4Very low52.1Low27 Ų2786.7 Ų86.722%0.22346%0.46CS..Hα-helixtrans-67.2-46.9175.100000111.6A668 N669 K670 L674 S675 H676A668-A672 PolarHBondContact O-N 3.2Å; N669-A672 CarbonylContact O-C 3.54Å; N669-A672 WeakPolarHBondContact O-CA 3.36Å; N669-A672 WeakPolarHBondContact O-CB 3.35Å; N669-A672 PolarHBondContact O-N 2.85Å; K670-A672 VanDerWaalsContact C-N 3.34Å; A672-L674 PolarHBondContact O-N 3.38Å; A672-S675 WeakPolarHBondContact O-CB 3.25Å; A672-S675 PolarHBondContact O-N 3.07Å; A672-S675 VanDerWaalsContact O-N 3.11Å; A672-S675 PolarHBondContact O-OG 3.12Å; A672-H676 PolarHBondContact O-N 3.2Å
673E45Very low49.6Very low129 Ų12992.6 Ų92.660%0.60350%0.501SS*.Hα-helixtrans-57.7-47.7174.9-73.8174.9177.500111.8N669 S675 H676 E677N669-E673 PolarHBondContact O-N 3.16Å; E673-S675 VanDerWaalsContact C-N 3.27Å; E673-S675 PolarHBondContact O-N 2.99Å; E673-H676 WeakPolarHBondContact O-CA 3.28Å; E673-H676 WeakPolarHBondContact O-CB 3.25Å; E673-H676 PolarHBondContact O-N 2.95Å; E673-E677 PolarHBondContact O-N 3.23Å
674L50.3Low46.8Very low98 Ų9895.2 Ų95.251%0.51353%0.534SS..Hα-helixtrans-62.4-34.2175.9-73167.6000112.6K670 A672 H676 M678K670-L674 HydrophobicContact CG-CD1 4.43Å; K670-L674 WeakPolarHBondContact O-CB 3.33Å; K670-L674 WeakPolarHBondContact O-CD1 3.28Å; K670-L674 VanDerWaalsContact O-CG 3.25Å; K670-L674 WeakPolarHBondContact O-CG 3.43Å; K670-L674 PolarHBondContact O-N 3.31Å; A672-L674 PolarHBondContact O-N 3.38Å; L674-H676 VanDerWaalsContact C-N 3.34Å; L674-M678 WeakPolarHBondContact O-CB 3.38Å; L674-M678 PolarHBondContact O-N 3.43Å
675S48.4Very low44.7Very low72 Ų7296.3 Ų96.350%0.50356%0.556SS.*Hα-helixtrans-70.6-32.8174.178.40000112.3A671 A672 E673 G679A671-S675 WeakPolarHBondContact O-CB 3.22Å; A671-S675 PolarHBondContact O-N 2.69Å; A672-S675 WeakPolarHBondContact O-CB 3.25Å; A672-S675 PolarHBondContact O-N 3.07Å; A672-S675 VanDerWaalsContact O-N 3.11Å; A672-S675 PolarHBondContact O-OG 3.12Å; E673-S675 VanDerWaalsContact C-N 3.27Å; E673-S675 PolarHBondContact O-N 2.99Å; S675-G679 PolarHBondContact O-N 2.97Å
676H40.8Very low42.8Very low140 Ų140104.1 Ų104.165%0.64859%0.586SS**Hα-helixtrans-71.3-39.9175.9-136.1-87000111.4A672 E673 L674 G679 I680A672-H676 PolarHBondContact O-N 3.2Å; E673-H676 WeakPolarHBondContact O-CA 3.28Å; E673-H676 WeakPolarHBondContact O-CB 3.25Å; E673-H676 PolarHBondContact O-N 2.95Å; L674-H676 VanDerWaalsContact C-N 3.34Å; H676-G679 PolarHBondContact O-N 3.31Å; H676-I680 PolarHBondContact O-N 3.39Å
677E36.7Very low40.7Very low142 Ų142110.8 Ų110.866%0.66462%0.617SS**Hα-helixtrans-66.4-40.3172.5-75.4-169.2153.100112.2E673 G679 I680E673-E677 PolarHBondContact O-N 3.23Å; E677-G679 PolarHBondContact O-N 3.08Å; E677-I680 PolarHBondContact O-N 2.96Å
678M38.3Very low38.8Very low154 Ų154116.7 Ų116.776%0.75964%0.64SS**Hα-helixtrans-64.6-27.4172-85.6179.5160.400112.6L674 I680 T681L674-M678 WeakPolarHBondContact O-CB 3.38Å; L674-M678 PolarHBondContact O-N 3.43Å; M678-I680 VanDerWaalsContact C-N 3.32Å; M678-I680 PolarHBondContact O-N 3.21Å; M678-T681 PolarHBondContact O-OG1 2.76Å; M678-T681 VanDerWaalsContact O-OG1 3.1Å
679G31.4Very low37.2Very low66 Ų66127.4 Ų127.468%0.6867%0.674SS**Hα-helixtrans-71.5-18175.600000115S675 H676 E677S675-G679 PolarHBondContact O-N 2.97Å; H676-G679 PolarHBondContact O-N 3.31Å; E677-G679 PolarHBondContact O-N 3.08Å
680I26.6Very low35.8Very low126 Ų126137.1 Ų137.165%0.64671%0.708SS**THydrogen-bonded Turntrans-104.918.6-178.9-58.2163.2000111.9H676 E677 M678 H682H676-I680 PolarHBondContact O-N 3.39Å; E677-I680 PolarHBondContact O-N 2.96Å; M678-I680 VanDerWaalsContact C-N 3.32Å; M678-I680 PolarHBondContact O-N 3.21Å; I680-H682 PolarHBondContact O-N 3.36Å
681T28.4Very low34.2Very low114 Ų114140.5 Ų140.570%0.69972%0.723SS**SBendtrans-92.584.416750.90000111.7M678M678-T681 PolarHBondContact O-OG1 2.76Å; M678-T681 VanDerWaalsContact O-OG1 3.1Å
682H28.1Very low33.3Very low178 Ų178146.8 Ų146.882%0.82473%0.734SS**  trans25.6113.3152.8-89-81.4000118.9I680 G684I680-H682 PolarHBondContact O-N 3.36Å; H682-G684 PolarHBondContact O-N 2.93Å
683C25.9Very low32.8Very low135 Ų135154.1 Ų154.191%0.91276%0.763SS**SBendtrans-39.5119.1143.6-73.60000111.5
684G25.7Very low32.4Very low78 Ų78156.9 Ų156.980%0.80477%0.774SS**  trans143.252.3163.700000117.4H682H682-G684 PolarHBondContact O-N 2.93Å
685A28.9Very low31.4Very low100 Ų100159.6 Ų159.683%0.82678%0.781SS**  trans-14875.1158.900000110.8
686W27.3Very low30.8Very low234 Ų234159.6 Ų159.689%0.88678%0.775SS**  trans-50.9142157.8-149.9-60.8000108.7
687F27.7Very low30.5Very low183 Ų183161.3 Ų161.380%0.80378%0.781SS**  trans93.983.2179.8-58.3-80.7000118
688K28.8Very low30.3Very low210 Ų210161.9 Ų161.991%0.91378%0.778SS**  -173.688109.2-98172.9-175.1176.40110.7R690K688-R690 PolarHBondContact O-N 3.01Å
689R27.2Very low30.2Very low252 Ų252161.3 Ų161.395%0.95177%0.772SS**  trans-80.284.9172.5-151.6-176.9-167.61803.1108.9
690R29.1Very low30.3Very low240 Ų240164.1 Ų164.191%0.90677%0.771SS**SBendtrans179.783.3157-108.5174.4168174.9-3.3112.1K688K688-R690 PolarHBondContact O-N 3.01Å
691K28Very low30.6Very low213 Ų213166 Ų16693%0.92678%0.775SS**  trans160.769.6149.3-95.1-178.7176.6178.30108.9
692R34.2Very low30.7Very low192 Ų192163.8 Ų163.873%0.72576%0.756SS**  trans-121.1-12.1171.7-141.9172.8177.2162.6-0.5115F694 K695R692-F694 VanDerWaalsContact C-N 3.32Å; R692-F694 PolarHBondContact O-N 2.87Å; R692-K695 PolarHBondContact O-N 3.46Å
693H33.2Very low30.9Very low180 Ų180158.8 Ų158.883%0.83374%0.741SS**Hα-helixtrans-72-13.4179.6-78.7-57.6000116.5
694F34.9Very low31.4Very low188 Ų188155.5 Ų155.583%0.82572%0.723SS**Hα-helixtrans-93-22.2176.9-142.1-97.7000113.4R692R692-F694 VanDerWaalsContact C-N 3.32Å; R692-F694 PolarHBondContact O-N 2.87Å
695K30.3Very low31.6Very low155 Ų155156.6 Ų156.667%0.67471%0.71SS**Hα-helixtrans-81.7-28.5179.7-107.7-176.2175-1780112.9R692 Y698 K699R692-K695 PolarHBondContact O-N 3.46Å; K695-Y698 PolarHBondContact O-N 3.25Å; K695-K699 PolarHBondContact O-N 2.87Å
696D35.7Very low31.8Very low71 Ų71159.6 Ų159.638%0.3870%0.701SS.*Hα-helixtrans-76.3-35.1-175.6-62.4-22.6000112.6Y698 K699 N700D696-Y698 VanDerWaalsContact C-N 3.33Å; D696-Y698 PolarHBondContact O-N 2.69Å; D696-K699 PolarHBondContact O-N 3.08Å; D696-N700 PolarHBondContact O-N 3.16Å
697K34.1Very low32.5Very low176 Ų176153.1 Ų153.177%0.76568%0.684SS**Hα-helixtrans-67.2-33.6170-94.3-173.4176-179.60112.7K701K697-K701 PolarHBondContact O-N 3.05Å
698Y32.2Very low32.6Very low154 Ų154152.6 Ų152.660%0.60468%0.684SS**Hα-helixtrans-71.4-39.7177.4-147.4-96.9000110.9K695 D696 H702K695-Y698 PolarHBondContact O-N 3.25Å; D696-Y698 VanDerWaalsContact C-N 3.33Å; D696-Y698 PolarHBondContact O-N 2.69Å; Y698-H702 AromaticContact CD1-CD2 3.43Å; Y698-H702 VanDerWaalsContact CD1-CD2 3.43Å; Y698-H702 WeakPolarHBondContact CD1-CD2 3.48Å; Y698-H702 AromaticContact CD1-NE2 3.77Å; Y698-H702 AromaticContact CE1-CD2 3.35Å; Y698-H702 WeakPolarHBondContact CE1-CD2 3.24Å; Y698-H702 AromaticContact CE1-NE2 3.17Å; Y698-H702 WeakPolarHBondContact CE1-NE2 3.49Å; Y698-H702 AromaticContact CZ-NE2 3.47Å; Y698-H702 WeakPolarHBondContact O-CB 3.18Å; Y698-H702 PolarHBondContact O-CD2 3.18Å; Y698-H702 PolarHBondContact O-N 3.38Å; Y698-H702 VanDerWaalsContact O-N 3.14Å
699K36.4Very low32.9Very low143 Ų143147.6 Ų147.662%0.62267%0.667SS**Hα-helixtrans-67.9-40.6175.6-81-168.7167.1-1620113.4K695 D696 H702 S703K695-K699 PolarHBondContact O-N 2.87Å; D696-K699 PolarHBondContact O-N 3.08Å; K699-H702 PolarHBondContact O-N 3.42Å; K699-S703 WeakPolarHBondContact O-CB 3.49Å; K699-S703 PolarHBondContact O-N 3.35Å
700N34.5Very low33.7Very low124 Ų124141.8 Ų141.866%0.66365%0.654SS**Hα-helixtrans-69.8-35.9-179.5-72.20.3000112.7D696D696-N700 PolarHBondContact O-N 3.16Å
701K32.6Very low34.8Very low167 Ų167134.1 Ų134.173%0.72663%0.631SS**Hα-helixtrans-69.6-32.5172.8-100.2-171.4174.2-172.40113K697 I705K697-K701 PolarHBondContact O-N 3.05Å; K701-I705 WeakPolarHBondContact O-CG1 3.2Å
702H29.8Very low36.4Very low67 Ų67127.8 Ų127.831%0.3161%0.61SS.*Hα-helixtrans-81.2-28.7176.2-79.7-66.4000113.2Y698 K699 A704 I705 Y706Y698-H702 AromaticContact CD1-CD2 3.43Å; Y698-H702 VanDerWaalsContact CD1-CD2 3.43Å; Y698-H702 WeakPolarHBondContact CD1-CD2 3.48Å; Y698-H702 AromaticContact CD1-NE2 3.77Å; Y698-H702 AromaticContact CE1-CD2 3.35Å; Y698-H702 WeakPolarHBondContact CE1-CD2 3.24Å; Y698-H702 AromaticContact CE1-NE2 3.17Å; Y698-H702 WeakPolarHBondContact CE1-NE2 3.49Å; Y698-H702 AromaticContact CZ-NE2 3.47Å; Y698-H702 WeakPolarHBondContact O-CB 3.18Å; Y698-H702 PolarHBondContact O-CD2 3.18Å; Y698-H702 PolarHBondContact O-N 3.38Å; Y698-H702 VanDerWaalsContact O-N 3.14Å; K699-H702 PolarHBondContact O-N 3.42Å; H702-A704 VanDerWaalsContact C-N 3.27Å; H702-A704 PolarHBondContact O-N 2.69Å; H702-I705 WeakPolarHBondContact O-CA 3.45Å; H702-I705 PolarHBondContact O-N 3.09Å; H702-Y706 HydrophobicContact CB-CE2 4.13Å; H702-Y706 WeakPolarHBondContact O-CD2 3.41Å; H702-Y706 PolarHBondContact O-N 3.23Å
703S32.8Very low38.7Very low72 Ų72119.2 Ų119.250%0.50358%0.579SS.*Hα-helixtrans-61.4-36.3175.2-151.60000112.4K699 I705 Y706 D707K699-S703 WeakPolarHBondContact O-CB 3.49Å; K699-S703 PolarHBondContact O-N 3.35Å; S703-I705 VanDerWaalsContact C-N 3.31Å; S703-Y706 PolarHBondContact O-N 3.44Å; S703-D707 PolarHBondContact O-N 3.14Å
704A35.4Very low41.3Very low66 Ų66111.8 Ų111.855%0.54554%0.543SS..THydrogen-bonded Turntrans-74.5-18.6173.900000113.5H702H702-A704 VanDerWaalsContact C-N 3.27Å; H702-A704 PolarHBondContact O-N 2.69Å
705I30.9Very low43.8Very low101 Ų101106.5 Ų106.552%0.51852%0.521SS..THydrogen-bonded Turntrans-83.9-26.5172.5-65168.6000110.4K701 H702 S703 D707K701-I705 WeakPolarHBondContact O-CG1 3.2Å; H702-I705 WeakPolarHBondContact O-CA 3.45Å; H702-I705 PolarHBondContact O-N 3.09Å; S703-I705 VanDerWaalsContact C-N 3.31Å; I705-D707 PolarHBondContact O-N 2.98Å
706Y32.3Very low46.5Very low163 Ų163105.3 Ų105.364%0.63952%0.518SS*.G310 helixtrans-72.3-13.4170.2-70.9-69.6000113.4H702 S703 Q708 L709H702-Y706 HydrophobicContact CB-CE2 4.13Å; H702-Y706 WeakPolarHBondContact O-CD2 3.41Å; H702-Y706 PolarHBondContact O-N 3.23Å; S703-Y706 PolarHBondContact O-N 3.44Å; Y706-Q708 PolarHBondContact O-N 2.87Å; Y706-L709 HydrophobicContact CD1-CD1 3.92Å; Y706-L709 HydrophobicContact CE1-CD1 4.26Å
707D41.7Very low49Very low98 Ų98103.2 Ų103.252%0.52451%0.508SS..G310 helixtrans-68.9-8.3177.3-108.9-33.7000113.4K299 S703 I705K299-D707 IonicContact NZ-OD1 3.88Å; K299-D707 PolarHBondContact NZ-OD1 2.93Å; S703-D707 PolarHBondContact O-N 3.14Å; I705-D707 PolarHBondContact O-N 2.98Å
708Q31.6Very low51.3Low172 Ų172100.2 Ų100.280%0.80450%0.504SS*.G310 helixtrans-14115.9179.7-84.1-172.9-18.700114.3Y706 D710Y706-Q708 PolarHBondContact O-N 2.87Å; Q708-D710 PolarHBondContact O-N 3.18Å
709L34.5Very low53.4Low106 Ų106102 Ų10256%0.55551%0.51SS*.  trans-73.584.6156.1-91.9134.8000105.6Y706 L711Y706-L709 HydrophobicContact CD1-CD1 3.92Å; Y706-L709 HydrophobicContact CE1-CD1 4.26Å; L709-L711 VanDerWaalsContact C-N 3.27Å; L709-L711 PolarHBondContact O-N 3.42Å
710D42.7Very low55.1Low129 Ų129102 Ų10269%0.6952%0.516SS*.  trans-35.1110.6139.5-72.3-29.4000104.3Q708 V712Q708-D710 PolarHBondContact O-N 3.18Å; D710-V712 HydrophobicContact CB-CG2 4.29Å; D710-V712 WeakPolarHBondContact O-CG2 3.25Å; D710-V712 PolarHBondContact O-N 2.96Å
711L53.2Low56.7Low80 Ų80101.2 Ų101.242%0.41952%0.517SS..  trans-62.592.1168.8-87.7143.9000103E664 M667 L709 T713E664-L711 HydrophobicContact CG-CB 3.98Å; E664-L711 HydrophobicContact CG-CD1 4.25Å; M667-L711 HydrophobicContact CE-CD2 3.48Å; M667-L711 VanDerWaalsContact CE-CD2 3.48Å; M667-L711 HydrophobicContact SD-CD2 3.79Å; L709-L711 VanDerWaalsContact C-N 3.27Å; L709-L711 PolarHBondContact O-N 3.42Å; L711-T713 PolarHBondContact O-N 3.34Å
712V60.7Low57.9Low80 Ų80102.4 Ų102.449%0.48553%0.526SS..  trans-69.688.4-178.8-1700000104.3M604 D710 E715M604-V712 WeakPolarHBondContact CB-O 3.18Å; M604-V712 HydrophobicContact CG-CB 4.47Å; M604-V712 HydrophobicContact CG-CG1 3.94Å; M604-V712 WeakPolarHBondContact CG-O 3.33Å; D710-V712 HydrophobicContact CB-CG2 4.29Å; D710-V712 WeakPolarHBondContact O-CG2 3.25Å; D710-V712 PolarHBondContact O-N 2.96Å; V712-E715 HydrophobicContact CG1-CB 4.29Å
713T82.6Confident59.1Low11 Ų11107.1 Ų107.17%0.06755%0.546CS..SBendtrans-72.5-40.5175.546.40000108.6M604 F605 P660 Q663 E664 L711M604-T713 WeakPolarHBondContact CB-O 3.32Å; M604-T713 PolarHBondContact N-O 3.48Å; M604-T713 VanDerWaalsContact N-O 3.11Å; F605-T713 VanDerWaalsContact CD1-O 3.3Å; F605-T713 WeakPolarHBondContact CD1-O 3.34Å; F605-T713 VanDerWaalsContact CE1-O 3.32Å; F605-T713 WeakPolarHBondContact CE1-O 3.35Å; P660-T713 WeakPolarHBondContact CA-OG1 3.21Å; P660-T713 WeakPolarHBondContact CB-OG1 3.29Å; Q663-T713 HydrophobicContact CB-CG2 3.95Å; Q663-T713 HydrophobicContact CG-CG2 3.88Å; E664-T713 HydrophobicContact CG-CG2 4.06Å; L711-T713 PolarHBondContact O-N 3.34Å
714Y88.3Confident60.4Low24 Ų24115.7 Ų115.79%0.09457%0.567CS.*EExtended strand (participates in β ladder)trans-138.3135.4179.5-64.8-72.3000110.2V601 R602 F605 F624 L630 I657 P658 P660V601-Y714 HydrophobicContact CB-CD1 4.27Å; V601-Y714 HydrophobicContact CB-CG 4.46Å; V601-Y714 HydrophobicContact CG2-CD1 3.61Å; V601-Y714 HydrophobicContact CG2-CE1 4.36Å; V601-Y714 HydrophobicContact CG2-CG 4.11Å; R602-Y714 WeakPolarHBondContact O-CA 3.49Å; F605-Y714 HydrophobicContact CE1-CD2 4.49Å; F605-Y714 HydrophobicContact CE1-CE1 4.02Å; F605-Y714 AromaticContact CE1-CE2 3.9Å; F605-Y714 HydrophobicContact CE1-CE2 3.9Å; F605-Y714 AromaticContact CE1-CZ 3.64Å; F605-Y714 HydrophobicContact CZ-CE1 4.36Å; F605-Y714 HydrophobicContact CZ-CE2 4.13Å; F605-Y714 AromaticContact CZ-CZ 3.7Å; F605-Y714 VanDerWaalsContact CZ-OH 3.3Å; F605-Y714 WeakPolarHBondContact CZ-OH 3.41Å; F624-Y714 HydrophobicContact CZ-CE1 4.22Å; F624-Y714 WeakPolarHBondContact CZ-OH 3.41Å; L630-Y714 HydrophobicContact CD1-CD1 4.47Å; L630-Y714 HydrophobicContact CD1-CE1 3.8Å; I657-Y714 HydrophobicContact CD1-CE1 4.17Å; P658-Y714 WeakPolarHBondContact O-CE2 3.37Å; P658-Y714 PolarHBondContact O-OH 3.22Å; P660-Y714 HydrophobicContact CG-CD2 3.95Å; P660-Y714 HydrophobicContact CG-CE2 4.45Å
715E87.1Confident61.9Low77 Ų77120.2 Ų120.236%0.3657%0.57SS.*EExtended strand (participates in β ladder)trans-103.5119.1171.9176.9-169.1-167.200108.6V601 R602 M604 V712 V717V601-E715 CarbonylContact C-O 3.52Å; V601-E715 VanDerWaalsContact CA-O 3.23Å; V601-E715 WeakPolarHBondContact CA-O 3.47Å; R602-E715 HydrophobicContact CB-CB 4.29Å; R602-E715 IonicContact CZ-OE2 3.44Å; R602-E715 PolarHBondContact N-O 3.03Å; R602-E715 IonicContact NE-OE2 2.78Å; R602-E715 IonicContact NH1-OE1 2.79Å; R602-E715 IonicContact NH1-OE2 3.68Å; R602-E715 PolarHBondContact NH1-OE2 2.82Å; R602-E715 PolarHBondContact O-N 3.32Å; M604-E715 HydrophobicContact CG-CB 4.43Å; M604-E715 HydrophobicContact SD-CB 4.18Å; V712-E715 HydrophobicContact CG1-CB 4.29Å; E715-V717 PolarHBondContact O-N 3.11Å
716E87.7Confident64Low130 Ų130127.4 Ų127.461%0.60759%0.59SS**EExtended strand (participates in β ladder)trans-65.1131.2175.3-168.4177.6152.100110.8Y600Y600-E716 WeakPolarHBondContact O-CA 3.35Å
717V88.4Confident66.4Low27 Ų27125.7 Ų125.716%0.16460%0.597CS.*EExtended strand (participates in β ladder)trans-126.4146.4-178.1-64.40000111Y600 R602 I629 E715Y600-V717 WeakPolarHBondContact CB-O 3.49Å; Y600-V717 PolarHBondContact O-N 2.8Å; R602-V717 HydrophobicContact CB-CG1 3.96Å; I629-V717 HydrophobicContact CD1-CG2 4.08Å; I629-V717 HydrophobicContact CG2-CG2 3.93Å; E715-V717 PolarHBondContact O-N 3.11Å
718V82.9Confident68.5Low113 Ų113126.2 Ų126.269%0.68560%0.599SS**  trans-118.5134.5173.1179.20000109.2L720V718-L720 PolarHBondContact O-N 3.23Å; V718-L720 VanDerWaalsContact O-N 3.11Å
719R75.4Confident71.2Confident193 Ų193123 Ų12373%0.72859%0.591SS**  trans-72.8104.8174.1-175.5-178.6-178.4-178.81.2109.8
720L72.7Confident73.7Confident142 Ų142120.6 Ų120.674%0.74358%0.578SS**  trans-75.3140.9167.5-62.9175.4000109.9V718 Q722V718-L720 PolarHBondContact O-N 3.23Å; V718-L720 VanDerWaalsContact O-N 3.11Å; L720-Q722 PolarHBondContact O-N 3.1Å
721P67.9Low76Confident107 Ų107121.8 Ų121.870%0.69558%0.584SS**  trans-55.9140.4165.522.8-30000108.7F723P721-F723 PolarHBondContact O-N 3.42Å
722Q57.5Low77.6Confident193 Ų193119.9 Ų119.990%0.90258%0.584SS**  trans-55.3103.2176-86.9-178.5-6.300109L720 R724L720-Q722 PolarHBondContact O-N 3.1Å; Q722-R724 PolarHBondContact O-N 3.42Å; Q722-R724 VanDerWaalsContact O-N 3.15Å
723F53.8Low78.9Confident166 Ų166119.3 Ų119.373%0.72859%0.588SS**  trans-66.9117.9173.2-138.4-92.8000106.3P721 R725P721-F723 PolarHBondContact O-N 3.42Å; F723-R725 HydrophobicContact CD1-CB 4.4Å; F723-R725 WeakPolarHBondContact CD1-O 3.37Å; F723-R725 PolarHBondContact O-N 2.96Å
724R61.9Low79.1Confident251 Ų251127.6 Ų127.695%0.94763%0.625SS**SBendtrans-58.9-9.1-179.8-76.2-168.9178.6-177.30.9113.5Q722Q722-R724 PolarHBondContact O-N 3.42Å; Q722-R724 VanDerWaalsContact O-N 3.15Å
725R66.7Low79.1Confident162 Ų162130 Ų13061%0.61166%0.657SS**SBendtrans-133.2125.3-176-60.3-177.5-179-174-0.4110.1F723F723-R725 HydrophobicContact CD1-CB 4.4Å; F723-R725 WeakPolarHBondContact CD1-O 3.37Å; F723-R725 PolarHBondContact O-N 2.96Å
726R74.6Confident79.2Confident251 Ų251130.1 Ų130.195%0.94766%0.663SS**PPolyproline II helixtrans-83.4134.8169.2-65.8-173.5179.5-167.4-0109.3
727T82.7Confident79.4Confident128 Ų128125.4 Ų125.479%0.78565%0.649SS**PPolyproline II helixtrans-81.5122.3176.5-57.80000109.8V729T727-V729 HydrophobicContact CG2-CG2 4.18Å
728L85Confident79.6Confident108 Ų108129.1 Ų129.157%0.56566%0.66SS**PPolyproline II helixtrans-101.8119.8172.6-176.868.9000109.6L730 L745 F753L728-L730 HydrophobicContact CD2-CD2 4.42Å; L728-L745 HydrophobicContact CD2-CD1 3.98Å; L728-F753 HydrophobicContact CD2-CE1 4.16Å
729V88.4Confident79.8Confident104 Ų104133 Ų13363%0.6366%0.662SS**  trans-104.9121.5176.7-175.90000109.4T727 L731T727-V729 HydrophobicContact CG2-CG2 4.18Å; V729-L731 HydrophobicContact CG1-CD2 3.99Å; V729-L731 HydrophobicContact CG1-CG 4.18Å
730L87.6Confident80.5Confident56 Ų56130.6 Ų130.629%0.29366%0.659SS.*  trans-93.5104.6176.4-63.8175.6000110.3L728 R738 I741 K742L728-L730 HydrophobicContact CD2-CD2 4.42Å; L730-R738 VanDerWaalsContact O-CD 3.28Å; L730-R738 WeakPolarHBondContact O-CD 3.36Å; L730-I741 HydrophobicContact CD1-CB 4.32Å; L730-I741 HydrophobicContact CD1-CG2 4.01Å; L730-I741 HydrophobicContact CD2-CG2 4.32Å; L730-K742 HydrophobicContact CD1-CB 3.93Å
731L90.4Very high81.5Confident154 Ų154127.7 Ų127.781%0.80664%0.644SS**  trans-94.5142.3176.6-62.3173.8000110.9V729V729-L731 HydrophobicContact CG1-CD2 3.99Å; V729-L731 HydrophobicContact CG1-CG 4.18Å
732G87.1Confident82.6Confident40 Ų40126 Ų12641%0.41263%0.625SS.*  trans165.4157.5179.400000112.6R738G732-R738 PolarHBondContact O-NE 3.49Å
733A87.2Confident84.1Confident69 Ų69120 Ų12057%0.5760%0.6SS**  trans-58.6166.7-178.600000112.9G735 V736A733-G735 PolarHBondContact O-N 3.39Å; A733-V736 HydrophobicContact CB-CG1 3.94Å; A733-V736 WeakPolarHBondContact O-CG2 3.17Å
734H87.5Confident85.9Confident185 Ų185115.1 Ų115.186%0.85659%0.585SS**THydrogen-bonded Turntrans-62.7135.2174.6-153.9-84.7000109.9
735G88.5Confident87.3Confident73 Ų73105.5 Ų105.575%0.75355%0.552SS**THydrogen-bonded Turntrans87.7-8.8178.400000117.3A733 G737A733-G735 PolarHBondContact O-N 3.39Å; G735-G737 PolarHBondContact O-N 3.32Å
736V90.3Very high88.5Confident80 Ų80100.1 Ų100.149%0.48554%0.535SS..SBendtrans-72.113.8-177.7-53.60000115.2A733 R738A733-V736 HydrophobicContact CB-CG1 3.94Å; A733-V736 WeakPolarHBondContact O-CG2 3.17Å; V736-R738 HydrophobicContact CG2-CG 3.78Å; V736-R738 PolarHBondContact O-N 3.39Å
737G90.7Very high89.2Confident31 Ų3195.7 Ų95.732%0.3253%0.525SS..  trans76.119.3176.800000115.6G735 R739 H740 I741G735-G737 PolarHBondContact O-N 3.32Å; G737-R739 PolarHBondContact O-N 3Å; G737-R739 VanDerWaalsContact O-N 3.09Å; G737-H740 WeakPolarHBondContact O-CA 3.31Å; G737-H740 WeakPolarHBondContact O-CB 3.44Å; G737-H740 PolarHBondContact O-N 3.41Å; G737-I741 PolarHBondContact O-N 2.92Å
738R92.1Very high89.6Confident105 Ų10593.2 Ų93.240%0.39651%0.513SS..Hα-helixtrans-48.4-40.1176-69.3-175.9-74.8150.5-1.8113.4L730 G732 V736 K742L730-R738 VanDerWaalsContact O-CD 3.28Å; L730-R738 WeakPolarHBondContact O-CD 3.36Å; G732-R738 PolarHBondContact O-NE 3.49Å; V736-R738 HydrophobicContact CG2-CG 3.78Å; V736-R738 PolarHBondContact O-N 3.39Å; R738-K742 WeakPolarHBondContact O-CB 3.38Å; R738-K742 PolarHBondContact O-N 3.43Å
739R88.5Confident89.8Confident195 Ų19589.4 Ų89.474%0.73650%0.496SS*.Hα-helixtrans-64.5-41176.2-175.4-178.1-72.5-158.2-0.4111.8G737 N743G737-R739 PolarHBondContact O-N 3Å; G737-R739 VanDerWaalsContact O-N 3.09Å; R739-N743 WeakPolarHBondContact O-CB 3.41Å; R739-N743 VanDerWaalsContact O-CG 3.22Å; R739-N743 PolarHBondContact O-N 3.09Å; R739-N743 PolarHBondContact O-OD1 3.21Å
740H90.4Very high89.7Confident142 Ų14289 Ų8966%0.65750%0.495SS*.Hα-helixtrans-66.6-47.4178-175.975.8000111G737 K742 N743 C744G737-H740 WeakPolarHBondContact O-CA 3.31Å; G737-H740 WeakPolarHBondContact O-CB 3.44Å; G737-H740 PolarHBondContact O-N 3.41Å; H740-K742 PolarHBondContact O-N 3.3Å; H740-N743 PolarHBondContact O-N 3.17Å; H740-C744 VanDerWaalsContact O-CB 3.3Å; H740-C744 WeakPolarHBondContact O-CB 3.41Å; H740-C744 PolarHBondContact O-N 3.41Å
741I92.2Very high89.5Confident82 Ų8292.5 Ų92.542%0.42151%0.514SS..Hα-helixtrans-57.3-49.3175.9-62.7169.4000110.6L730 G737 N743 C744 L745L730-I741 HydrophobicContact CD1-CB 4.32Å; L730-I741 HydrophobicContact CD1-CG2 4.01Å; L730-I741 HydrophobicContact CD2-CG2 4.32Å; G737-I741 PolarHBondContact O-N 2.92Å; I741-N743 PolarHBondContact O-N 3.27Å; I741-C744 PolarHBondContact O-N 3.45Å; I741-L745 HydrophobicContact CG2-CD1 4.03Å; I741-L745 HydrophobicContact CG2-CG 4.43Å; I741-L745 WeakPolarHBondContact O-CG 3.06Å; I741-L745 PolarHBondContact O-N 2.93Å
742K91.5Very high89.3Confident71 Ų7192.3 Ų92.331%0.30951%0.507SS..Hα-helixtrans-55.5-49.6176.9-174.9-165.567.9168.40111.9L730 R738 H740 L745 I746 Y755L730-K742 HydrophobicContact CD1-CB 3.93Å; R738-K742 WeakPolarHBondContact O-CB 3.38Å; R738-K742 PolarHBondContact O-N 3.43Å; H740-K742 PolarHBondContact O-N 3.3Å; K742-L745 PolarHBondContact O-N 3.06Å; K742-I746 HydrophobicContact CG-CD1 4.03Å; K742-I746 WeakPolarHBondContact O-CG1 3.24Å; K742-I746 PolarHBondContact O-N 3.19Å; K742-I746 VanDerWaalsContact O-N 3.09Å; K742-Y755 HydrophobicContact CD-CD2 4.32Å; K742-Y755 HydrophobicContact CD-CE2 4.37Å
743N89.9Confident89.3Confident68 Ų6893.7 Ų93.736%0.36450%0.501SS..Hα-helixtrans-67.5-38.3-178.1-70.8-3000111.5R739 H740 I741 I746 Q747R739-N743 WeakPolarHBondContact O-CB 3.41Å; R739-N743 VanDerWaalsContact O-CG 3.22Å; R739-N743 PolarHBondContact O-N 3.09Å; R739-N743 PolarHBondContact O-OD1 3.21Å; H740-N743 PolarHBondContact O-N 3.17Å; I741-N743 PolarHBondContact O-N 3.27Å; N743-I746 PolarHBondContact O-N 3.33Å; N743-Q747 WeakPolarHBondContact O-CB 3.5Å; N743-Q747 VanDerWaalsContact O-CG 3.28Å; N743-Q747 WeakPolarHBondContact O-CG 3.43Å; N743-Q747 PolarHBondContact O-N 3.34Å
744C90.9Very high89.2Confident63 Ų6393.6 Ų93.643%0.42650%0.5SS..Hα-helixtrans-62.6-44.1175.2-169.30000111.3H740 I741 I746 Q747 S748H740-C744 VanDerWaalsContact O-CB 3.3Å; H740-C744 WeakPolarHBondContact O-CB 3.41Å; H740-C744 PolarHBondContact O-N 3.41Å; I741-C744 PolarHBondContact O-N 3.45Å; C744-I746 PolarHBondContact O-N 2.82Å; C744-Q747 PolarHBondContact O-N 3.25Å; C744-S748 VanDerWaalsContact O-CB 3.23Å; C744-S748 WeakPolarHBondContact O-CB 3.38Å; C744-S748 PolarHBondContact O-N 3.19Å; C744-S748 PolarHBondContact O-OG 2.85Å
745L91.6Very high89Confident48 Ų4891.2 Ų91.225%0.25149%0.485SS..Hα-helixtrans-60-45.5174.9-71.6170.7000112.3L728 I741 K742 S748 S749 F753L728-L745 HydrophobicContact CD2-CD1 3.98Å; I741-L745 HydrophobicContact CG2-CD1 4.03Å; I741-L745 HydrophobicContact CG2-CG 4.43Å; I741-L745 WeakPolarHBondContact O-CG 3.06Å; I741-L745 PolarHBondContact O-N 2.93Å; K742-L745 PolarHBondContact O-N 3.06Å; L745-S748 PolarHBondContact O-OG 2.81Å; L745-S749 PolarHBondContact O-N 3.05Å; L745-S749 VanDerWaalsContact O-N 3.11Å; L745-F753 HydrophobicContact CB-CB 4.47Å; L745-F753 HydrophobicContact CB-CD2 4.05Å; L745-F753 HydrophobicContact CB-CE2 4.45Å; L745-F753 HydrophobicContact CB-CG 4.12Å; L745-F753 HydrophobicContact CD2-CD2 4.47Å; L745-F753 HydrophobicContact CD2-CE2 4.04Å; L745-F753 HydrophobicContact CD2-CZ 4.18Å; L745-F753 WeakPolarHBondContact O-CD2 3.21Å
746I91.4Very high88.5Confident49 Ų4992.4 Ų92.425%0.25148%0.479SS..Hα-helixtrans-67.1-38.1178.6-64.8168.2000111.6K742 N743 C744 P750 F753K742-I746 HydrophobicContact CG-CD1 4.03Å; K742-I746 WeakPolarHBondContact O-CG1 3.24Å; K742-I746 PolarHBondContact O-N 3.19Å; K742-I746 VanDerWaalsContact O-N 3.09Å; N743-I746 PolarHBondContact O-N 3.33Å; C744-I746 PolarHBondContact O-N 2.82Å; I746-P750 VanDerWaalsContact O-CA 3.25Å; I746-P750 WeakPolarHBondContact O-CA 3.44Å; I746-P750 WeakPolarHBondContact O-CB 3.22Å; I746-F753 HydrophobicContact CG1-CB 4.14Å
747Q89.3Confident87.6Confident159 Ų15995.2 Ų95.274%0.74349%0.49SS*.Hα-helixtrans-75.6-39.5179.8-75.6176.4-14.400113.1N743 C744N743-Q747 WeakPolarHBondContact O-CB 3.5Å; N743-Q747 VanDerWaalsContact O-CG 3.28Å; N743-Q747 WeakPolarHBondContact O-CG 3.43Å; N743-Q747 PolarHBondContact O-N 3.34Å; C744-Q747 PolarHBondContact O-N 3.25Å
748S90.7Very high86.1Confident75 Ų7598.4 Ų98.452%0.52451%0.505SS..Hα-helixtrans-76.4-26.2-179.157.60000113.5C744 L745C744-S748 VanDerWaalsContact O-CB 3.23Å; C744-S748 WeakPolarHBondContact O-CB 3.38Å; C744-S748 PolarHBondContact O-N 3.19Å; C744-S748 PolarHBondContact O-OG 2.85Å; L745-S748 PolarHBondContact O-OG 2.81Å
749S89.4Confident84.1Confident29 Ų29104.4 Ų104.420%0.20353%0.528CS..  trans-147.771.3177.8-59.20000111.2L745 D751 K752 F753L745-S749 PolarHBondContact O-N 3.05Å; L745-S749 VanDerWaalsContact O-N 3.11Å; S749-D751 VanDerWaalsContact C-OD1 3.31Å; S749-D751 WeakPolarHBondContact CA-OD1 3.47Å; S749-D751 PolarHBondContact O-N 3.46Å; S749-K752 PolarHBondContact O-N 3.47Å; S749-F753 PolarHBondContact O-N 3.38Å
750P86Confident82.1Confident95 Ų95104.1 Ų104.162%0.61753%0.532SS*.THydrogen-bonded Turntrans-65.6-20.3-178.626.7-34.4000113.3I746 K752I746-P750 VanDerWaalsContact O-CA 3.25Å; I746-P750 WeakPolarHBondContact O-CA 3.44Å; I746-P750 WeakPolarHBondContact O-CB 3.22Å; P750-K752 VanDerWaalsContact C-N 3.32Å
751D84.9Confident79.9Confident129 Ų129108 Ų10869%0.6954%0.543SS*.THydrogen-bonded Turntrans-70.6-25.517261.4-51.3000112.8S749S749-D751 VanDerWaalsContact C-OD1 3.31Å; S749-D751 WeakPolarHBondContact CA-OD1 3.47Å; S749-D751 PolarHBondContact O-N 3.46Å
752K84.4Confident77.5Confident151 Ų151110.2 Ų110.266%0.65756%0.555SS**THydrogen-bonded Turntrans-105.8-36.3-176.6-63.6179.3-174.9173.20113.5S749 P750S749-K752 PolarHBondContact O-N 3.47Å; P750-K752 VanDerWaalsContact C-N 3.32Å
753F88.5Confident74.9Confident69 Ų69112.8 Ų112.830%0.30358%0.577SS.*  trans-119.3125.8-174-56.4-75.5000111.1L728 L745 I746 S749L728-F753 HydrophobicContact CD2-CE1 4.16Å; L745-F753 HydrophobicContact CB-CB 4.47Å; L745-F753 HydrophobicContact CB-CD2 4.05Å; L745-F753 HydrophobicContact CB-CE2 4.45Å; L745-F753 HydrophobicContact CB-CG 4.12Å; L745-F753 HydrophobicContact CD2-CD2 4.47Å; L745-F753 HydrophobicContact CD2-CE2 4.04Å; L745-F753 HydrophobicContact CD2-CZ 4.18Å; L745-F753 WeakPolarHBondContact O-CD2 3.21Å; I746-F753 HydrophobicContact CG1-CB 4.14Å; S749-F753 PolarHBondContact O-N 3.38Å
754A84.9Confident72.5Confident66 Ų66119.9 Ų119.955%0.54560%0.6SS.*  trans-132.6154.917500000110.4
755Y82.6Confident69.8Low135 Ų135122.9 Ų122.953%0.52962%0.617SS.*PPolyproline II helixtrans-68.5137171.7-165.2-99.8000109.9K742 I757K742-Y755 HydrophobicContact CD-CD2 4.32Å; K742-Y755 HydrophobicContact CD-CE2 4.37Å; Y755-I757 PolarHBondContact O-N 2.97Å; Y755-I757 VanDerWaalsContact O-N 3.13Å
756P77.8Confident67.1Low98 Ų98129.1 Ų129.164%0.63668%0.675SS**PPolyproline II helixtrans-62.7117171.224-30.9000109.1P758P756-P758 VanDerWaalsContact O-CD 3.25Å; P756-P758 WeakPolarHBondContact O-CD 3.49Å
757I71.1Confident65.9Low139 Ų139133.2 Ų133.271%0.71370%0.697SS**PPolyproline II helixtrans-65.6117.8174.8-57.6170.9000106.7Y755 R759Y755-I757 PolarHBondContact O-N 2.97Å; Y755-I757 VanDerWaalsContact O-N 3.13Å; I757-R759 PolarHBondContact O-N 2.94Å; I757-R759 VanDerWaalsContact O-N 3.08Å
758P60.3Low64.7Low99 Ų99131.8 Ų131.864%0.64369%0.694SS**PPolyproline II helixtrans-60.5118.5171.8-15.629000107.1P756 K760P756-P758 VanDerWaalsContact O-CD 3.25Å; P756-P758 WeakPolarHBondContact O-CD 3.49Å; P758-K760 PolarHBondContact O-N 3.49Å
759R50.7Low63.2Low230 Ų230134.9 Ų134.987%0.86870%0.704SS**  trans-61.7105.9167.7-75.1-173.6177.1176-1106I757 Y761I757-R759 PolarHBondContact O-N 2.94Å; I757-R759 VanDerWaalsContact O-N 3.08Å; R759-Y761 PolarHBondContact O-N 3.02Å
760K46.3Very low61.7Low189 Ų189141.2 Ų141.282%0.82273%0.733SS**  trans-59.3128.8160.2-78.2-173.3176-1770105.5P758 N762P758-K760 PolarHBondContact O-N 3.49Å; K760-N762 PolarHBondContact O-N 3.01Å
761Y44Very low60.1Low225 Ų225144.1 Ų144.188%0.88274%0.74SS**  trans-55.492.5171.7-65.7-91.6000108.1R759 T763R759-Y761 PolarHBondContact O-N 3.02Å; Y761-T763 VanDerWaalsContact C-N 3.31Å; Y761-T763 PolarHBondContact O-N 3.13Å
762N41.4Very low58.5Low127 Ų127145.1 Ų145.168%0.67974%0.744SS**  trans-72.9104.4153.3-89.15.4000104.2K760 Y764K760-N762 PolarHBondContact O-N 3.01Å; N762-Y764 PolarHBondContact O-N 3.05Å
763T36.6Very low56.6Low126 Ų126144.6 Ų144.677%0.77375%0.75SS**  trans-39.3101.3155.745.40000108.8Y761 T765Y761-T763 VanDerWaalsContact C-N 3.31Å; Y761-T763 PolarHBondContact O-N 3.13Å; T763-T765 PolarHBondContact O-N 3.1Å
764Y40.9Very low54.2Low216 Ų216150.5 Ų150.585%0.84778%0.784SS**  trans-82.9105.3155-78.6-83.4000105.4N762N762-Y764 PolarHBondContact O-N 3.05Å
765T33.7Very low51.6Low127 Ų127157.5 Ų157.578%0.77980%0.804SS**  trans-59.6130.616241.10000109.6T763T763-T765 PolarHBondContact O-N 3.1Å
766A34.4Very low48.8Very low179 Ų179159.5 Ų159.5100%1.47983%0.829SS**  trans45.20164.100000117.4

Retrieved 766 of 766 residues in 1329 ms (Link to these results)

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