A0A087XEA1_POEFO Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A087XEA1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 207 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
1M41.6Very low73.2Confident244 Ų24490.5 Ų90.5100%1.20247%0.466SS*.  0118.20-70.3175.8-170.200107.6K3M1-K3 PolarHBondContact O-N 3.46Å
2A47Very low74.3Confident91 Ų9183 Ų8375%0.75243%0.427SS*.  trans-59.1134.5-17700000110.2T4A2-T4 PolarHBondContact O-N 3.43Å
3K53.1Low75.3Confident185 Ų18576.6 Ų76.680%0.80439%0.394SS*.  trans-59.8111174.2-77.3-177.9176.7178.40107.7M1 Y5M1-K3 PolarHBondContact O-N 3.46Å; K3-Y5 PolarHBondContact O-N 3.3Å
4T68Low76Confident112 Ų11271.1 Ų71.169%0.68737%0.366SS*.SBendtrans-78.24.5-18047.20000113.2A2A2-T4 PolarHBondContact O-N 3.43Å
5Y73.8Confident76.6Confident80 Ų8066.4 Ų66.431%0.31434%0.342SS..  trans-149144.7179.359.4-86.5000109.9K3 Y7 L8 K59K3-Y5 PolarHBondContact O-N 3.3Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.37Å; Y5-L8 HydrophobicContact CD2-CB 4.44Å; Y5-L8 HydrophobicContact CE2-CB 4.04Å; Y5-K59 HydrophobicContact CD1-CD 4.36Å; Y5-K59 HydrophobicContact CD2-CB 4.32Å; Y5-K59 HydrophobicContact CE1-CD 4.49Å; Y5-K59 HydrophobicContact CG-CB 4.17Å
6D82Confident77Confident102 Ų10264.3 Ų64.355%0.54533%0.331SS..SBendtrans-84.7-38.8179.2-60.6-74.7000111.3K56 K57D6-K56 HydrophobicContact CB-CB 4.2Å; D6-K56 WeakPolarHBondContact OD2-CA 3.23Å; D6-K57 PolarHBondContact N-O 2.76Å; D6-K57 PolarHBondContact OD2-N 3.47Å
7Y85.5Confident77.1Confident43 Ų4364.8 Ų64.817%0.16934%0.342CS..EExtended strand (participates in β ladder)trans-133.8152.7-179.3-62.6-91.8000112.5Y5 F9 K56 K57 I58 K59 M174 D175Y5-Y7 WeakPolarHBondContact CD2-O 3.37Å; Y7-F9 VanDerWaalsContact CB-CE1 3.43Å; Y7-F9 HydrophobicContact CD1-CE1 4Å; Y7-F9 HydrophobicContact CD1-CZ 4.49Å; Y7-F9 AromaticContact CG-CE1 3.92Å; Y7-F9 HydrophobicContact CG-CE1 3.92Å; Y7-F9 HydrophobicContact CG-CZ 4.24Å; Y7-K56 HydrophobicContact CD2-CD 4.31Å; Y7-K56 HydrophobicContact CE2-CD 3.49Å; Y7-K56 VanDerWaalsContact CE2-CD 3.49Å; Y7-K56 PolarHBondContact OH-NZ 3.3Å; Y7-K57 PolarHBondContact N-O 3.09Å; Y7-I58 HydrophobicContact CD2-CG1 4.39Å; Y7-I58 WeakPolarHBondContact O-CA 3.21Å; Y7-K59 PolarHBondContact O-N 2.65Å; Y7-M174 HydrophobicContact CD1-CE 4.44Å; Y7-D175 PolarHBondContact OH-OD1 3.32Å
8L86.9Confident77Confident55 Ų5564 Ų6429%0.28835%0.352SS..EExtended strand (participates in β ladder)trans-123.5114.3173-178.474.4000108.3Y5 K59 Q61 M83Y5-L8 HydrophobicContact CD2-CB 4.44Å; Y5-L8 HydrophobicContact CE2-CB 4.04Å; L8-K59 CarbonylContact C-O 3.56Å; L8-K59 WeakPolarHBondContact CA-O 3.45Å; L8-K59 HydrophobicContact CD1-CB 3.78Å; L8-K59 HydrophobicContact CD1-CD 3.85Å; L8-K59 HydrophobicContact CD1-CG 3.85Å; L8-Q61 HydrophobicContact CD1-CG 3.78Å; L8-M83 VanDerWaalsContact O-SD 3.36Å
9F89.8Confident77.4Confident1 Ų160.7 Ų60.70%0.00433%0.334CS..EExtended strand (participates in β ladder)trans-107.4129.4177.1-58.7-14.5000110.6Y7 I58 K59 L60 Q61 M83 A167 I170 K171 M174Y7-F9 VanDerWaalsContact CB-CE1 3.43Å; Y7-F9 HydrophobicContact CD1-CE1 4Å; Y7-F9 HydrophobicContact CD1-CZ 4.49Å; Y7-F9 AromaticContact CG-CE1 3.92Å; Y7-F9 HydrophobicContact CG-CE1 3.92Å; Y7-F9 HydrophobicContact CG-CZ 4.24Å; F9-I58 HydrophobicContact CD1-CG2 4.16Å; F9-I58 HydrophobicContact CD2-CG2 3.44Å; F9-I58 VanDerWaalsContact CD2-CG2 3.44Å; F9-I58 HydrophobicContact CE1-CG2 4.13Å; F9-I58 HydrophobicContact CE2-CD1 3.73Å; F9-I58 HydrophobicContact CE2-CG2 3.48Å; F9-I58 VanDerWaalsContact CE2-CG2 3.48Å; F9-I58 HydrophobicContact CG-CG2 3.79Å; F9-I58 HydrophobicContact CZ-CD1 3.91Å; F9-I58 HydrophobicContact CZ-CG2 3.83Å; F9-K59 PolarHBondContact N-O 3.05Å; F9-L60 HydrophobicContact CB-CD2 3.8Å; F9-L60 HydrophobicContact CD2-CD2 3.83Å; F9-L60 HydrophobicContact CG-CD2 4.22Å; F9-Q61 PolarHBondContact O-N 2.68Å; F9-M83 HydrophobicContact CB-SD 4.45Å; F9-M83 HydrophobicContact CD1-CE 3.85Å; F9-M83 HydrophobicContact CD1-SD 4.11Å; F9-M83 HydrophobicContact CE1-CE 4.33Å; F9-A167 HydrophobicContact CD2-CB 4.06Å; F9-A167 HydrophobicContact CE2-CB 4.17Å; F9-A167 VanDerWaalsContact CE2-O 3.24Å; F9-A167 WeakPolarHBondContact CE2-O 3.37Å; F9-I170 HydrophobicContact CD1-CG2 3.94Å; F9-I170 HydrophobicContact CD2-CB 4.25Å; F9-I170 HydrophobicContact CD2-CG2 3.9Å; F9-I170 HydrophobicContact CE1-CG2 4.06Å; F9-I170 HydrophobicContact CE2-CB 4.21Å; F9-I170 HydrophobicContact CE2-CG2 3.96Å; F9-I170 HydrophobicContact CG-CG2 3.91Å; F9-I170 HydrophobicContact CZ-CG2 4.05Å; F9-K171 HydrophobicContact CE2-CB 4.2Å; F9-K171 HydrophobicContact CZ-CB 3.93Å; F9-M174 HydrophobicContact CD1-CE 3.7Å; F9-M174 HydrophobicContact CE1-CE 3.01Å; F9-M174 HydrophobicContact CE1-SD 4.35Å; F9-M174 HydrophobicContact CZ-CE 3.51Å
10K88.1Confident77.5Confident82 Ų8258.3 Ų58.336%0.35732%0.323SS..EExtended strand (participates in β ladder)trans-95.8115.7173.1-67.1179-180-179.20109Q61 G81 M83 G84K10-Q61 WeakPolarHBondContact CA-O 3.04Å; K10-Q61 HydrophobicContact CG-CB 4.3Å; K10-G81 WeakPolarHBondContact CD-O 3.41Å; K10-M83 PolarHBondContact O-N 3.39Å; K10-G84 PolarHBondContact O-N 2.85Å; K10-G84 VanDerWaalsContact O-N 3.12Å
11L89.3Confident77.8Confident0 Ų055.9 Ų55.90%031%0.31CS..EExtended strand (participates in β ladder)trans-111.3138178.4-57.3-175.7000109.6L60 Q61 I62 W63 G84 F163 L166 I170L11-L60 HydrophobicContact CD1-CD1 4.29Å; L11-L60 HydrophobicContact CD1-CD2 4.23Å; L11-Q61 PolarHBondContact N-O 3.39Å; L11-I62 HydrophobicContact CB-CG1 4.26Å; L11-I62 HydrophobicContact CD1-CG1 4.3Å; L11-I62 WeakPolarHBondContact O-CA 3.31Å; L11-W63 PolarHBondContact O-N 3.46Å; L11-G84 CarbonylContact C-O 3.56Å; L11-G84 VanDerWaalsContact CA-O 3.31Å; L11-G84 WeakPolarHBondContact CA-O 3.5Å; L11-F163 HydrophobicContact CD1-CD1 3.96Å; L11-L166 HydrophobicContact CD1-CD2 4.44Å; L11-L166 HydrophobicContact CD2-CD2 3.79Å; L11-L166 HydrophobicContact CD2-CG 4.21Å; L11-I170 HydrophobicContact CD2-CD1 3.47Å; L11-I170 VanDerWaalsContact CD2-CD1 3.47Å
12L87.1Confident79.7Confident1 Ų146 Ų461%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-118128.7176.4-174.568.7000109.7I14 W63 T65 Y79 A82 G84 I85 M86L12-I14 HydrophobicContact CD2-CG2 3.79Å; L12-I14 HydrophobicContact CG-CG2 3.81Å; L12-W63 HydrophobicContact CD1-CB 3.61Å; L12-T65 HydrophobicContact CD1-CG2 3.65Å; L12-T65 HydrophobicContact CG-CG2 4.45Å; L12-Y79 HydrophobicContact CD2-CD1 3.4Å; L12-Y79 VanDerWaalsContact CD2-CD1 3.4Å; L12-Y79 HydrophobicContact CD2-CE1 3.42Å; L12-Y79 VanDerWaalsContact CD2-CE1 3.42Å; L12-A82 HydrophobicContact CB-CB 4.43Å; L12-G84 PolarHBondContact N-O 3.45Å; L12-I85 HydrophobicContact CB-CG1 4.22Å; L12-I85 WeakPolarHBondContact O-CA 3.47Å; L12-M86 PolarHBondContact O-N 3.46Å
13L86.6Confident81.3Confident0 Ų043.6 Ų43.60%024%0.24CC..EExtended strand (participates in β ladder)trans-95.7121.8171.7-70.4163.5000109.1L25 I62 W63 T65 M86 V88 F163L13-L25 HydrophobicContact CD1-CB 3.97Å; L13-L25 HydrophobicContact CD1-CD1 4.39Å; L13-I62 HydrophobicContact CD1-CG2 3.56Å; L13-I62 HydrophobicContact CG-CG2 3.98Å; L13-W63 PolarHBondContact N-O 2.97Å; L13-T65 PolarHBondContact O-N 2.84Å; L13-T65 PolarHBondContact O-OG1 3.35Å; L13-M86 HydrophobicContact CD2-CB 3.61Å; L13-M86 HydrophobicContact CD2-CG 4.4Å; L13-M86 HydrophobicContact CD2-SD 4.07Å; L13-V88 HydrophobicContact CD2-CG2 4.11Å; L13-F163 HydrophobicContact CD1-CZ 4.37Å; L13-F163 HydrophobicContact CD2-CE1 4.46Å; L13-F163 HydrophobicContact CD2-CZ 4.27Å
14I85.9Confident82.7Confident0 Ų034.8 Ų34.80%020%0.202CC..EExtended strand (participates in β ladder)trans-127.8158.1176.570.5170000111.1L12 K21 Y79 I85 M86 L87 V88 W103 I107L12-I14 HydrophobicContact CD2-CG2 3.79Å; L12-I14 HydrophobicContact CG-CG2 3.81Å; I14-K21 VanDerWaalsContact C-CD 3.46Å; I14-Y79 HydrophobicContact CG2-CE1 4.23Å; I14-I85 HydrophobicContact CD1-CG2 3.86Å; I14-I85 HydrophobicContact CG1-CG2 3.92Å; I14-I85 HydrophobicContact CG2-CG2 4.41Å; I14-M86 PolarHBondContact N-O 2.85Å; I14-L87 HydrophobicContact CD1-CD2 4.02Å; I14-L87 HydrophobicContact CD1-CG 3.89Å; I14-L87 HydrophobicContact CG1-CB 4.35Å; I14-L87 HydrophobicContact CG1-CD2 4.39Å; I14-L87 HydrophobicContact CG1-CG 3.84Å; I14-L87 CarbonylContact O-C 3.51Å; I14-L87 WeakPolarHBondContact O-CA 3.43Å; I14-V88 PolarHBondContact O-N 2.93Å; I14-W103 HydrophobicContact CB-CE3 4.45Å; I14-W103 HydrophobicContact CD1-CB 3.92Å; I14-W103 HydrophobicContact CD1-CD2 4.34Å; I14-W103 HydrophobicContact CD1-CE3 4.01Å; I14-W103 HydrophobicContact CD1-CG 4.35Å; I14-I107 HydrophobicContact CD1-CD1 3.56Å; I14-I107 HydrophobicContact CD1-CG1 3.87Å
15G84.4Confident83.4Confident0 Ų029.4 Ų29.40%017%0.169CC..EExtended strand (participates in β ladder)trans151.1174.9-178.300000111.8K21 V88G15-K21 PolarHBondContact O-NZ 3.45Å; G15-V88 WeakPolarHBondContact CA-O 3.3Å
16D82.8Confident83.7Confident33 Ų3328.4 Ų28.418%0.17617%0.166CC..  trans-68.1165.1-177.3-152.3-12.2000112.6V19 K21 N99D16-V19 HydrophobicContact CB-CG1 3.76Å; D16-V19 WeakPolarHBondContact O-CG2 3.43Å; D16-K21 PolarHBondContact O-NZ 3.06Å; D16-N99 PolarHBondContact OD2-ND2 3.38Å
17S78.9Confident83.6Confident72 Ų7224.9 Ų24.950%0.50315%0.145SC..THydrogen-bonded Turntrans-64.9142.2172.4-165.30000110.7V19 G67S17-V19 VanDerWaalsContact C-N 3.25Å; S17-V19 PolarHBondContact O-N 3.5Å; S17-G67 WeakPolarHBondContact CA-O 3.35Å; S17-G67 VanDerWaalsContact CB-O 3.27Å; S17-G67 WeakPolarHBondContact CB-O 3.39Å; S17-G67 PolarHBondContact N-O 2.95Å
18G76Confident83.2Confident51 Ų5123 Ų2353%0.52614%0.138SC..THydrogen-bonded Turntrans75.60.3175.200000116.6G20 K123G18-G20 PolarHBondContact O-N 3.49Å; G18-K123 PolarHBondContact O-NZ 2.88Å
19V83.6Confident82.5Confident2 Ų222.2 Ų22.21%0.01214%0.137CC..SBendtrans-71.2-18.4174.6-55.90000113.1D16 S17 K21 V88 D90 N122D16-V19 HydrophobicContact CB-CG1 3.76Å; D16-V19 WeakPolarHBondContact O-CG2 3.43Å; S17-V19 VanDerWaalsContact C-N 3.25Å; S17-V19 PolarHBondContact O-N 3.5Å; V19-K21 HydrophobicContact CG2-CD 4.43Å; V19-K21 HydrophobicContact CG2-CG 3.68Å; V19-V88 HydrophobicContact CG2-CB 4.12Å; V19-V88 HydrophobicContact CG2-CG1 4.02Å; V19-D90 HydrophobicContact CB-CB 4.29Å; V19-D90 HydrophobicContact CG1-CB 4.2Å; V19-N122 PolarHBondContact O-ND2 3.18Å
20G79.9Confident81.1Confident12 Ų1226.4 Ų26.412%0.12416%0.157CC..  trans97.326.3176.300000115.9G18 T22 C23 V24G18-G20 PolarHBondContact O-N 3.49Å; G20-T22 PolarHBondContact O-N 3.12Å; G20-C23 WeakPolarHBondContact O-CB 3.35Å; G20-C23 PolarHBondContact O-N 3.36Å; G20-C23 VanDerWaalsContact O-N 3.14Å; G20-V24 WeakPolarHBondContact O-CG2 3.39Å; G20-V24 PolarHBondContact O-N 2.82Å
21K83.9Confident79.5Confident8 Ų828.1 Ų28.14%0.03517%0.17CC..Hα-helixtrans-52.1-53.1174.3-61.3-174.9-64.2-77.80112.5I14 G15 D16 V19 C23 V24 L25 D64 T65 V88I14-K21 VanDerWaalsContact C-CD 3.46Å; G15-K21 PolarHBondContact O-NZ 3.45Å; D16-K21 PolarHBondContact O-NZ 3.06Å; V19-K21 HydrophobicContact CG2-CD 4.43Å; V19-K21 HydrophobicContact CG2-CG 3.68Å; K21-C23 VanDerWaalsContact C-N 3.3Å; K21-C23 PolarHBondContact O-N 3.18Å; K21-V24 WeakPolarHBondContact O-CB 3.46Å; K21-V24 PolarHBondContact O-N 3.36Å; K21-V24 VanDerWaalsContact O-N 3.12Å; K21-L25 PolarHBondContact O-N 3.02Å; K21-D64 VanDerWaalsContact CB-OD1 3.29Å; K21-D64 WeakPolarHBondContact CB-OD1 3.49Å; K21-T65 WeakPolarHBondContact CE-O 3.39Å; K21-V88 HydrophobicContact CG-CB 3.95Å; K21-V88 HydrophobicContact CG-CG2 4.1Å
22T80.5Confident77.1Confident36 Ų3630.3 Ų30.322%0.22119%0.188CC..Hα-helixtrans-57.7-42.7176.4-47.80000111.1G20 V24 L25 F26 D64G20-T22 PolarHBondContact O-N 3.12Å; T22-V24 PolarHBondContact O-N 3.42Å; T22-L25 PolarHBondContact O-N 3.28Å; T22-F26 HydrophobicContact CG2-CD2 3.61Å; T22-F26 HydrophobicContact CG2-CE2 3.5Å; T22-F26 VanDerWaalsContact O-CD2 3.25Å; T22-F26 WeakPolarHBondContact O-CD2 3.41Å; T22-F26 PolarHBondContact O-N 2.81Å; T22-D64 VanDerWaalsContact CA-OD2 3.32Å; T22-D64 WeakPolarHBondContact CA-OD2 3.24Å; T22-D64 WeakPolarHBondContact CB-OD2 3.27Å; T22-D64 PolarHBondContact OG1-OD2 3.47Å
23C81.8Confident74.8Confident40 Ų4034.8 Ų34.827%0.2721%0.207SC..Hα-helixtrans-63.6-39.8176.7-54.70000112.9G20 K21 R27 A153G20-C23 WeakPolarHBondContact O-CB 3.35Å; G20-C23 PolarHBondContact O-N 3.36Å; G20-C23 VanDerWaalsContact O-N 3.14Å; K21-C23 VanDerWaalsContact C-N 3.3Å; K21-C23 PolarHBondContact O-N 3.18Å; C23-R27 VanDerWaalsContact O-CB 3.28Å; C23-R27 WeakPolarHBondContact O-CB 3.36Å; C23-R27 PolarHBondContact O-N 2.98Å; C23-A153 HydrophobicContact CB-CB 3.76Å
24V81.9Confident72.7Confident0 Ų039.7 Ų39.70%023%0.234CC..Hα-helixtrans-63.9-42.9174.9170.70000110.1G20 K21 T22 R27 F28 A153 V159 F163G20-V24 WeakPolarHBondContact O-CG2 3.39Å; G20-V24 PolarHBondContact O-N 2.82Å; K21-V24 WeakPolarHBondContact O-CB 3.46Å; K21-V24 PolarHBondContact O-N 3.36Å; K21-V24 VanDerWaalsContact O-N 3.12Å; T22-V24 PolarHBondContact O-N 3.42Å; V24-R27 PolarHBondContact O-N 2.95Å; V24-F28 WeakPolarHBondContact O-CB 3.38Å; V24-F28 PolarHBondContact O-N 3.31Å; V24-A153 HydrophobicContact CG2-CB 3.99Å; V24-V159 HydrophobicContact CG1-CG1 4.06Å; V24-F163 HydrophobicContact CG1-CE2 3.78Å; V24-F163 HydrophobicContact CG1-CZ 4.06Å
25L83.3Confident70.5Confident0 Ų044.3 Ų44.30%027%0.266CS..Hα-helixtrans-64.7-47.4177.1-179.558.5000112.6L13 K21 T22 R27 F28 S29 K47 I62 D64L13-L25 HydrophobicContact CD1-CB 3.97Å; L13-L25 HydrophobicContact CD1-CD1 4.39Å; K21-L25 PolarHBondContact O-N 3.02Å; T22-L25 PolarHBondContact O-N 3.28Å; L25-R27 VanDerWaalsContact C-N 3.33Å; L25-R27 PolarHBondContact O-N 3.29Å; L25-F28 PolarHBondContact O-N 2.87Å; L25-S29 WeakPolarHBondContact O-CB 3.45Å; L25-S29 PolarHBondContact O-N 2.89Å; L25-S29 PolarHBondContact O-OG 3.3Å; L25-K47 HydrophobicContact CD1-CB 4.07Å; L25-K47 HydrophobicContact CD1-CG 4.32Å; L25-K47 HydrophobicContact CD2-CB 4.21Å; L25-K47 HydrophobicContact CD2-CG 3.8Å; L25-K47 HydrophobicContact CG-CB 4.38Å; L25-K47 HydrophobicContact CG-CG 4.08Å; L25-I62 HydrophobicContact CD1-CB 3.81Å; L25-I62 HydrophobicContact CD1-CD1 3.77Å; L25-I62 HydrophobicContact CD1-CG1 4.41Å; L25-I62 HydrophobicContact CD1-CG2 3.6Å; L25-D64 HydrophobicContact CD2-CB 3.57Å
26F79.7Confident68.3Low59 Ų5949 Ų4926%0.25930%0.295SS..Hα-helixtrans-60-45.8177-90.2-73.6000111.1T22 F28 S29 E30T22-F26 HydrophobicContact CG2-CD2 3.61Å; T22-F26 HydrophobicContact CG2-CE2 3.5Å; T22-F26 VanDerWaalsContact O-CD2 3.25Å; T22-F26 WeakPolarHBondContact O-CD2 3.41Å; T22-F26 PolarHBondContact O-N 2.81Å; F26-F28 VanDerWaalsContact C-N 3.28Å; F26-F28 PolarHBondContact O-N 3.31Å; F26-S29 PolarHBondContact O-N 3.37Å; F26-E30 PolarHBondContact O-N 2.98Å
27R80.6Confident66.4Low28 Ų2855.2 Ų55.211%0.10632%0.321CS..Hα-helixtrans-58.8-43.3177-179.962.475.5156.419.5111.6C23 V24 L25 S29 D31 F33 A153 K154 N156 V159C23-R27 VanDerWaalsContact O-CB 3.28Å; C23-R27 WeakPolarHBondContact O-CB 3.36Å; C23-R27 PolarHBondContact O-N 2.98Å; V24-R27 PolarHBondContact O-N 2.95Å; L25-R27 VanDerWaalsContact C-N 3.33Å; L25-R27 PolarHBondContact O-N 3.29Å; R27-S29 VanDerWaalsContact C-N 3.32Å; R27-S29 PolarHBondContact O-N 3.49Å; R27-D31 PolarHBondContact O-N 3.36Å; R27-F33 VanDerWaalsContact NH2-CB 3.31Å; R27-A153 VanDerWaalsContact CZ-O 3.31Å; R27-A153 PolarHBondContact NE-O 3.16Å; R27-A153 PolarHBondContact NH2-O 2.68Å; R27-K154 PolarHBondContact NH2-O 3.19Å; R27-N156 WeakPolarHBondContact CD-OD1 3.47Å; R27-N156 HydrophobicContact CG-CB 4.39Å; R27-N156 WeakPolarHBondContact CG-OD1 3.48Å; R27-V159 HydrophobicContact CB-CG1 4.32Å; R27-V159 HydrophobicContact CG-CB 4.39Å; R27-V159 HydrophobicContact CG-CG1 4.16Å; R27-V159 HydrophobicContact CG-CG2 4.29Å
28F77.3Confident64.5Low3 Ų357.9 Ų57.91%0.01333%0.328CS..Hα-helixtrans-68.3-28.6176.7-177.3-106.4000113.3V24 L25 F26 R49 I51 L60 I62 V159 E160 F163V24-F28 WeakPolarHBondContact O-CB 3.38Å; V24-F28 PolarHBondContact O-N 3.31Å; L25-F28 PolarHBondContact O-N 2.87Å; F26-F28 VanDerWaalsContact C-N 3.28Å; F26-F28 PolarHBondContact O-N 3.31Å; F28-R49 HydrophobicContact CE1-CB 3.88Å; F28-R49 VanDerWaalsContact CE1-CD 3.48Å; F28-R49 HydrophobicContact CE1-CG 4.1Å; F28-R49 HydrophobicContact CZ-CG 4.4Å; F28-R49 VanDerWaalsContact O-CD 3.24Å; F28-R49 WeakPolarHBondContact O-CD 3.26Å; F28-R49 PolarHBondContact O-NH1 3.26Å; F28-I51 HydrophobicContact CZ-CG2 4.24Å; F28-L60 HydrophobicContact CE1-CD1 4.19Å; F28-L60 HydrophobicContact CZ-CD1 3.93Å; F28-I62 HydrophobicContact CD1-CD1 3.51Å; F28-I62 HydrophobicContact CE1-CD1 3.48Å; F28-I62 VanDerWaalsContact CE1-CD1 3.48Å; F28-V159 HydrophobicContact CB-CG1 3.97Å; F28-E160 HydrophobicContact CE2-CG 4.36Å; F28-F163 HydrophobicContact CB-CD2 3.93Å; F28-F163 HydrophobicContact CB-CE2 3.65Å; F28-F163 HydrophobicContact CB-CZ 4.35Å; F28-F163 HydrophobicContact CD1-CD1 4.39Å; F28-F163 HydrophobicContact CD1-CD2 4.03Å; F28-F163 HydrophobicContact CD1-CE2 4.18Å; F28-F163 HydrophobicContact CD1-CG 4.16Å; F28-F163 HydrophobicContact CD1-CZ 4.43Å; F28-F163 HydrophobicContact CD2-CB 4.01Å; F28-F163 AromaticContact CD2-CD2 3.31Å; F28-F163 HydrophobicContact CD2-CD2 3.31Å; F28-F163 AromaticContact CD2-CE2 3.97Å; F28-F163 HydrophobicContact CD2-CE2 3.97Å; F28-F163 AromaticContact CD2-CG 3.81Å; F28-F163 HydrophobicContact CD2-CG 3.81Å; F28-F163 HydrophobicContact CE1-CB 4.3Å; F28-F163 HydrophobicContact CE1-CD1 4.3Å; F28-F163 HydrophobicContact CE1-CD2 4.38Å; F28-F163 HydrophobicContact CE1-CG 4.09Å; F28-F163 HydrophobicContact CE2-CB 3.47Å; F28-F163 VanDerWaalsContact CE2-CB 3.47Å; F28-F163 AromaticContact CE2-CD2 3.74Å; F28-F163 HydrophobicContact CE2-CD2 3.74Å; F28-F163 AromaticContact CE2-CG 3.75Å; F28-F163 HydrophobicContact CE2-CG 3.75Å; F28-F163 AromaticContact CG-CD2 3.47Å; F28-F163 HydrophobicContact CG-CD2 3.47Å; F28-F163 VanDerWaalsContact CG-CD2 3.47Å; F28-F163 AromaticContact CG-CE2 3.66Å; F28-F163 HydrophobicContact CG-CE2 3.66Å; F28-F163 HydrophobicContact CG-CG 4.02Å; F28-F163 HydrophobicContact CG-CZ 4.33Å; F28-F163 HydrophobicContact CZ-CB 3.64Å; F28-F163 HydrophobicContact CZ-CD1 4.47Å; F28-F163 HydrophobicContact CZ-CD2 4.26Å; F28-F163 AromaticContact CZ-CG 3.9Å; F28-F163 HydrophobicContact CZ-CG 3.9Å
29S70.7Confident62.7Low39 Ų3959 Ų5927%0.27333%0.327SS..Hα-helixtrans-91.3-37-173.4-56.10000113.8L25 F26 R27L25-S29 WeakPolarHBondContact O-CB 3.45Å; L25-S29 PolarHBondContact O-N 2.89Å; L25-S29 PolarHBondContact O-OG 3.3Å; F26-S29 PolarHBondContact O-N 3.37Å; R27-S29 VanDerWaalsContact C-N 3.32Å; R27-S29 PolarHBondContact O-N 3.49Å
30E61.8Low60.8Low88 Ų8861.1 Ų61.141%0.41134%0.341SS..Hα-helixtrans-112.1-6.7-169.1-68.7-177.9-171.900113.8F26 A32F26-E30 PolarHBondContact O-N 2.98Å; E30-A32 HydrophobicContact CB-CB 4.4Å; E30-A32 PolarHBondContact O-N 2.83Å
31D53.7Low59.4Low118 Ų11868 Ų6863%0.63137%0.373SS*.SBendtrans52.95.7-170.5-130.9-13.4000114.1R27R27-D31 PolarHBondContact O-N 3.36Å
32A39.4Very low57.7Low46 Ų4673.3 Ų73.338%0.3841%0.406SS..SBendtrans-118.2131.4-176.700000109.9E30 N34E30-A32 HydrophobicContact CB-CB 4.4Å; E30-A32 PolarHBondContact O-N 2.83Å; A32-N34 PolarHBondContact O-N 3.11Å
33F38.7Very low56.4Low95 Ų9572.9 Ų72.942%0.41741%0.408SS..  trans-83.399.6172-167.1-110.4000109.4R27 S35 A153 K154R27-F33 VanDerWaalsContact NH2-CB 3.31Å; F33-S35 PolarHBondContact O-N 3.45Å; F33-A153 WeakPolarHBondContact CD2-O 3.4Å; F33-K154 HydrophobicContact CE2-CB 4.35Å; F33-K154 HydrophobicContact CZ-CB 4.4Å; F33-K154 HydrophobicContact CZ-CG 4.26Å
34N41.4Very low55.4Low103 Ų10372.7 Ų72.755%0.55140%0.404SS*.  trans-85.5110.1166.2-120.2-53.1000109.2A32 T36A32-N34 PolarHBondContact O-N 3.11Å; N34-T36 PolarHBondContact O-N 3.13Å; N34-T36 PolarHBondContact OD1-OG1 3.11Å; N34-T36 VanDerWaalsContact OD1-OG1 3.1Å
35S40.6Very low54.9Low98 Ų9874.7 Ų74.769%0.68542%0.415SS*.  trans-65.6-7.5171.5177.80000112.6F33 F37F33-S35 PolarHBondContact O-N 3.45Å; S35-F37 PolarHBondContact O-N 2.92Å
36T36.9Very low54.5Low98 Ų9878.2 Ų78.260%0.60143%0.431SS*.  trans-78.993.7-178.7-36.80000108.6N34 I38N34-T36 PolarHBondContact O-N 3.13Å; N34-T36 PolarHBondContact OD1-OG1 3.11Å; N34-T36 VanDerWaalsContact OD1-OG1 3.1Å; T36-I38 VanDerWaalsContact C-N 3.26Å; T36-I38 PolarHBondContact O-N 3.46Å
37F43.5Very low54.5Low164 Ų16478.2 Ų78.272%0.71943%0.431SS*.  trans-64.884.4175.8-146.8-90.8000109.4S35 S39S35-F37 PolarHBondContact O-N 2.92Å; F37-S39 PolarHBondContact O-N 2.97Å; F37-S39 VanDerWaalsContact O-N 3.15Å
38I39.3Very low54.6Low127 Ų12780.5 Ų80.565%0.65144%0.444SS*.  trans-78.896.9166.9-56.9-179.3000105.4T36 T40T36-I38 VanDerWaalsContact C-N 3.26Å; T36-I38 PolarHBondContact O-N 3.46Å; I38-T40 PolarHBondContact O-N 2.9Å
39S39.1Very low54.8Low74 Ų7483.5 Ų83.552%0.51746%0.455SS..  trans-45.6125.4166.8-85.40000108.5F37 I41F37-S39 PolarHBondContact O-N 2.97Å; F37-S39 VanDerWaalsContact O-N 3.15Å; S39-I41 WeakPolarHBondContact O-CG1 3.49Å; S39-I41 PolarHBondContact O-N 2.94Å
40T43.8Very low55.4Low48 Ų4885.1 Ų85.129%0.29446%0.464SS..  trans-61.988.9173.5-42.40000108.2I38 V42 D45I38-T40 PolarHBondContact O-N 2.9Å; T40-V42 PolarHBondContact O-N 2.89Å; T40-V42 VanDerWaalsContact O-N 3.11Å; T40-D45 HydrophobicContact CG2-CB 4.36Å
41I49.1Very low56.5Low157 Ų15781.5 Ų81.581%0.80545%0.447SS*.SBendtrans-65.7-10-178.1-77.3165.8000111.1S39S39-I41 WeakPolarHBondContact O-CG1 3.49Å; S39-I41 PolarHBondContact O-N 2.94Å
42V48Very low57.9Low118 Ų11882.2 Ų82.272%0.71545%0.446SS*.SBendtrans-136.983.5174.9-1710000111.3T40 I44T40-V42 PolarHBondContact O-N 2.89Å; T40-V42 VanDerWaalsContact O-N 3.11Å; V42-I44 VanDerWaalsContact C-N 3.33Å; V42-I44 PolarHBondContact O-N 3.34Å
43G53.1Low60Low27 Ų2780.4 Ų80.428%0.27843%0.43SS..SBendtrans59.8-53.3147.600000121.4A66G43-A66 WeakPolarHBondContact O-CB 3.34Å; G43-A66 PolarHBondContact O-N 3.42Å; G43-A66 VanDerWaalsContact O-N 3.09Å
44I62.2Low62Low36 Ų3681.1 Ų81.119%0.18544%0.439CS..EExtended strand (participates in β ladder)trans-151.9123-174.1-62.7-178.6000108V42 W63 D64 I74 Y78V42-I44 VanDerWaalsContact C-N 3.33Å; V42-I44 PolarHBondContact O-N 3.34Å; I44-W63 HydrophobicContact CG2-CE3 3.98Å; I44-D64 CarbonylContact C-O 3.58Å; I44-D64 WeakPolarHBondContact CA-O 3.5Å; I44-D64 WeakPolarHBondContact CG2-O 3.26Å; I44-I74 HydrophobicContact CD1-CG2 3.77Å; I44-Y78 HydrophobicContact CD1-CD2 3.7Å; I44-Y78 HydrophobicContact CD1-CE1 4.36Å; I44-Y78 HydrophobicContact CD1-CE2 3.17Å; I44-Y78 HydrophobicContact CD1-CG 4.49Å
45D70.4Confident63.8Low42 Ų4279.1 Ų79.123%0.22544%0.443CS..EExtended strand (participates in β ladder)trans-93.3142.5172.4-167.813000109.9T40 D64T40-D45 HydrophobicContact CG2-CB 4.36Å; D45-D64 HydrophobicContact CB-CB 4.23Å; D45-D64 PolarHBondContact N-O 3.19Å; D45-D64 PolarHBondContact O-N 2.98Å
46F75.2Confident65.9Low74 Ų7477.8 Ų77.833%0.32543%0.425SS..EExtended strand (participates in β ladder)trans-127.2118.7-176.7172.5-102.5000109.9I48 Q61 W63F46-I48 HydrophobicContact CD1-CG1 4.36Å; F46-I48 HydrophobicContact CE1-CD1 3.55Å; F46-I48 HydrophobicContact CE1-CG1 3.46Å; F46-I48 VanDerWaalsContact CE1-CG1 3.46Å; F46-I48 HydrophobicContact CE2-CG1 4.38Å; F46-I48 HydrophobicContact CZ-CD1 3.62Å; F46-I48 HydrophobicContact CZ-CG1 3.47Å; F46-I48 VanDerWaalsContact CZ-CG1 3.47Å; F46-Q61 HydrophobicContact CE2-CB 3.82Å; F46-Q61 HydrophobicContact CE2-CG 3.92Å; F46-Q61 HydrophobicContact CZ-CB 4.25Å; F46-Q61 HydrophobicContact CZ-CG 3.84Å; F46-W63 HydrophobicContact CB-CE3 4.22Å; F46-W63 HydrophobicContact CB-CZ3 4.2Å; F46-W63 AromaticContact CD2-CD2 3.62Å; F46-W63 HydrophobicContact CD2-CD2 3.62Å; F46-W63 AromaticContact CD2-CE2 3.56Å; F46-W63 AromaticContact CD2-CE3 3.73Å; F46-W63 HydrophobicContact CD2-CE3 3.73Å; F46-W63 HydrophobicContact CD2-CG 4.29Å; F46-W63 AromaticContact CD2-CH2 3.77Å; F46-W63 HydrophobicContact CD2-CH2 3.77Å; F46-W63 AromaticContact CD2-CZ2 3.66Å; F46-W63 HydrophobicContact CD2-CZ2 3.66Å; F46-W63 AromaticContact CD2-CZ3 3.79Å; F46-W63 HydrophobicContact CD2-CZ3 3.79Å; F46-W63 HydrophobicContact CE2-CD2 4.17Å; F46-W63 AromaticContact CE2-CE2 3.61Å; F46-W63 HydrophobicContact CE2-CH2 4.01Å; F46-W63 AromaticContact CE2-CZ2 3.55Å; F46-W63 HydrophobicContact CE2-CZ2 3.55Å; F46-W63 HydrophobicContact CE2-CZ3 4.48Å; F46-W63 AromaticContact CE2-NE1 3.93Å; F46-W63 HydrophobicContact CG-CE3 4.35Å; F46-W63 HydrophobicContact CG-CH2 4.36Å; F46-W63 HydrophobicContact CG-CZ3 4.19Å; F46-W63 HydrophobicContact CZ-CZ2 4.47Å
47K79.2Confident68.2Low60 Ų6078.2 Ų78.226%0.26142%0.418SS..EExtended strand (participates in β ladder)trans-123.6145.5178.6-65.5-70.2-178.9168.70110.6L25 I62L25-K47 HydrophobicContact CD1-CB 4.07Å; L25-K47 HydrophobicContact CD1-CG 4.32Å; L25-K47 HydrophobicContact CD2-CB 4.21Å; L25-K47 HydrophobicContact CD2-CG 3.8Å; L25-K47 HydrophobicContact CG-CB 4.38Å; L25-K47 HydrophobicContact CG-CG 4.08Å; K47-I62 PolarHBondContact N-O 3.2Å; K47-I62 PolarHBondContact O-N 3.44Å
48I82.9Confident70.3Confident75 Ų7570.4 Ų70.439%0.38538%0.384SS..EExtended strand (participates in β ladder)trans-119123.9175-52.4-175.4000108.8F46 K59 L60 Q61F46-I48 HydrophobicContact CD1-CG1 4.36Å; F46-I48 HydrophobicContact CE1-CD1 3.55Å; F46-I48 HydrophobicContact CE1-CG1 3.46Å; F46-I48 VanDerWaalsContact CE1-CG1 3.46Å; F46-I48 HydrophobicContact CE2-CG1 4.38Å; F46-I48 HydrophobicContact CZ-CD1 3.62Å; F46-I48 HydrophobicContact CZ-CG1 3.47Å; F46-I48 VanDerWaalsContact CZ-CG1 3.47Å; I48-K59 HydrophobicContact CG2-CD 3.74Å; I48-K59 HydrophobicContact CG2-CG 3.41Å; I48-K59 VanDerWaalsContact CG2-CG 3.41Å; I48-L60 VanDerWaalsContact CA-O 3.29Å; I48-L60 WeakPolarHBondContact CA-O 3.49Å; I48-Q61 HydrophobicContact CD1-CG 4.44Å; I48-Q61 HydrophobicContact CG1-CG 4.26Å
49R82.9Confident72.5Confident66 Ų6667.1 Ų67.125%0.24937%0.365CS..EExtended strand (participates in β ladder)trans-125.9131.8170.6-173.6167.3175.3-151.5-8.7109.2F28 I51 L60 E160F28-R49 HydrophobicContact CE1-CB 3.88Å; F28-R49 VanDerWaalsContact CE1-CD 3.48Å; F28-R49 HydrophobicContact CE1-CG 4.1Å; F28-R49 HydrophobicContact CZ-CG 4.4Å; F28-R49 VanDerWaalsContact O-CD 3.24Å; F28-R49 WeakPolarHBondContact O-CD 3.26Å; F28-R49 PolarHBondContact O-NH1 3.26Å; R49-I51 HydrophobicContact CG-CG2 4.44Å; R49-L60 PolarHBondContact N-O 2.8Å; R49-L60 WeakPolarHBondContact O-CA 3.45Å; R49-L60 WeakPolarHBondContact O-CB 3.47Å; R49-L60 PolarHBondContact O-N 2.81Å; R49-E160 IonicContact CZ-OE1 2.9Å; R49-E160 IonicContact NH1-OE1 2.7Å; R49-E160 IonicContact NH2-OE1 3.33Å; R49-E160 PolarHBondContact NH2-OE1 3.45Å
50T82.6Confident74.9Confident74 Ų7463.6 Ų63.645%0.45434%0.34SS..EExtended strand (participates in β ladder)trans-93.6126.5172.3-54.20000108.3K57 I58T50-K57 HydrophobicContact CG2-CB 4.4Å; T50-I58 CarbonylContact C-O 3.5Å; T50-I58 WeakPolarHBondContact CA-O 3.15Å
51I85.1Confident76.9Confident12 Ų1262.9 Ų62.96%0.06233%0.334CS..EExtended strand (participates in β ladder)trans-113.6157.1173.363.1166.2000109.3F28 R49 L53 I58 L60 L164 A167F28-I51 HydrophobicContact CZ-CG2 4.24Å; R49-I51 HydrophobicContact CG-CG2 4.44Å; I51-L53 HydrophobicContact CD1-CD1 4.21Å; I51-I58 HydrophobicContact CG1-CB 4Å; I51-I58 PolarHBondContact N-O 3.01Å; I51-I58 PolarHBondContact O-N 3.47Å; I51-L60 HydrophobicContact CD1-CD1 3.77Å; I51-L60 HydrophobicContact CD1-CD2 4.28Å; I51-L60 HydrophobicContact CD1-CG 4.13Å; I51-L60 HydrophobicContact CG1-CD1 4.08Å; I51-L60 HydrophobicContact CG1-CG 4.08Å; I51-L60 HydrophobicContact CG2-CD1 4.06Å; I51-L164 HydrophobicContact CB-CD2 4.31Å; I51-L164 HydrophobicContact CD1-CD2 3.67Å; I51-L164 HydrophobicContact CG2-CD2 4.34Å; I51-A167 HydrophobicContact CD1-CB 3.75Å
52E83.3Confident78.7Confident132 Ų13255.4 Ų55.462%0.61730%0.295SS*.EExtended strand (participates in β ladder)trans-108.8125.3171.4-168.3171.2157.900109K56E52-K56 WeakPolarHBondContact CA-O 3.23Å
53L83.1Confident80.4Confident8 Ų852.8 Ų52.84%0.04227%0.273CS..EExtended strand (participates in β ladder)trans-139.5121.5-175.7-156.4157.2000108.9I51 G55 K56 I58 A167 R168 K171I51-L53 HydrophobicContact CD1-CD1 4.21Å; L53-G55 VanDerWaalsContact C-N 3.26Å; L53-G55 PolarHBondContact O-N 2.98Å; L53-K56 PolarHBondContact N-O 2.69Å; L53-K56 PolarHBondContact O-N 2.68Å; L53-I58 HydrophobicContact CB-CD1 3.76Å; L53-I58 HydrophobicContact CD1-CD1 4.47Å; L53-A167 HydrophobicContact CD1-CB 4.14Å; L53-R168 HydrophobicContact CD1-CB 4.09Å; L53-R168 HydrophobicContact CD2-CB 4.36Å; L53-R168 HydrophobicContact CD2-CG 4.27Å; L53-K171 HydrophobicContact CD2-CD 4.03Å
54D80.4Confident81.7Confident110 Ų11051.6 Ų51.659%0.58826%0.26SS*.THydrogen-bonded Turntrans52.539.3-174.9-50.1-32.5000113.5K56 K171D54-K56 PolarHBondContact O-N 2.8Å; D54-K171 IonicContact OD2-NZ 3.29Å; D54-K171 PolarHBondContact OD2-NZ 2.69Å
55G78.8Confident82.1Confident62 Ų6250.1 Ų50.164%0.63925%0.252SS*.THydrogen-bonded Turntrans72.38.9-177.900000114.8L53L53-G55 VanDerWaalsContact C-N 3.26Å; L53-G55 PolarHBondContact O-N 2.98Å
56K85.6Confident81.7Confident70 Ų7049.3 Ų49.330%0.30425%0.251SS..EExtended strand (participates in β ladder)trans-110.1139.2175.1-55.6-163.4-174173.40110.6D6 Y7 E52 L53 D54D6-K56 HydrophobicContact CB-CB 4.2Å; D6-K56 WeakPolarHBondContact OD2-CA 3.23Å; Y7-K56 HydrophobicContact CD2-CD 4.31Å; Y7-K56 HydrophobicContact CE2-CD 3.49Å; Y7-K56 VanDerWaalsContact CE2-CD 3.49Å; Y7-K56 PolarHBondContact OH-NZ 3.3Å; E52-K56 WeakPolarHBondContact CA-O 3.23Å; L53-K56 PolarHBondContact N-O 2.69Å; L53-K56 PolarHBondContact O-N 2.68Å; D54-K56 PolarHBondContact O-N 2.8Å
57K84.4Confident80.7Confident106 Ų10646.5 Ų46.546%0.46124%0.243SC..EExtended strand (participates in β ladder)trans-89116.1178.6-68.7-176.3-178.5-178.80110D6 Y7 T50D6-K57 PolarHBondContact N-O 2.76Å; D6-K57 PolarHBondContact OD2-N 3.47Å; Y7-K57 PolarHBondContact N-O 3.09Å; T50-K57 HydrophobicContact CG2-CB 4.4Å
58I87.6Confident79.2Confident0 Ų046.7 Ų46.70%025%0.245CC..EExtended strand (participates in β ladder)trans-112120.7-177-53-179.7000108.7Y7 F9 T50 I51 L53 L60 K171Y7-I58 HydrophobicContact CD2-CG1 4.39Å; Y7-I58 WeakPolarHBondContact O-CA 3.21Å; F9-I58 HydrophobicContact CD1-CG2 4.16Å; F9-I58 HydrophobicContact CD2-CG2 3.44Å; F9-I58 VanDerWaalsContact CD2-CG2 3.44Å; F9-I58 HydrophobicContact CE1-CG2 4.13Å; F9-I58 HydrophobicContact CE2-CD1 3.73Å; F9-I58 HydrophobicContact CE2-CG2 3.48Å; F9-I58 VanDerWaalsContact CE2-CG2 3.48Å; F9-I58 HydrophobicContact CG-CG2 3.79Å; F9-I58 HydrophobicContact CZ-CD1 3.91Å; F9-I58 HydrophobicContact CZ-CG2 3.83Å; T50-I58 CarbonylContact C-O 3.5Å; T50-I58 WeakPolarHBondContact CA-O 3.15Å; I51-I58 HydrophobicContact CG1-CB 4Å; I51-I58 PolarHBondContact N-O 3.01Å; I51-I58 PolarHBondContact O-N 3.47Å; L53-I58 HydrophobicContact CB-CD1 3.76Å; L53-I58 HydrophobicContact CD1-CD1 4.47Å; I58-L60 HydrophobicContact CG2-CD2 3.88Å; I58-K171 HydrophobicContact CD1-CD 4.15Å
59K86.8Confident77.5Confident59 Ų5948.3 Ų48.326%0.25725%0.251SS..EExtended strand (participates in β ladder)trans-87.8112.3173.7-168.4176.6-124.6-166.80109.2Y5 Y7 L8 F9 I48Y5-K59 HydrophobicContact CD1-CD 4.36Å; Y5-K59 HydrophobicContact CD2-CB 4.32Å; Y5-K59 HydrophobicContact CE1-CD 4.49Å; Y5-K59 HydrophobicContact CG-CB 4.17Å; Y7-K59 PolarHBondContact O-N 2.65Å; L8-K59 CarbonylContact C-O 3.56Å; L8-K59 WeakPolarHBondContact CA-O 3.45Å; L8-K59 HydrophobicContact CD1-CB 3.78Å; L8-K59 HydrophobicContact CD1-CD 3.85Å; L8-K59 HydrophobicContact CD1-CG 3.85Å; F9-K59 PolarHBondContact N-O 3.05Å; I48-K59 HydrophobicContact CG2-CD 3.74Å; I48-K59 HydrophobicContact CG2-CG 3.41Å; I48-K59 VanDerWaalsContact CG2-CG 3.41Å
60L87.8Confident76Confident0 Ų054 Ų540%027%0.273CS..EExtended strand (participates in β ladder)trans-89.1122.1174.3-56.3-177.9000109.5F9 L11 F28 I48 R49 I51 I58 I62 A167F9-L60 HydrophobicContact CB-CD2 3.8Å; F9-L60 HydrophobicContact CD2-CD2 3.83Å; F9-L60 HydrophobicContact CG-CD2 4.22Å; L11-L60 HydrophobicContact CD1-CD1 4.29Å; L11-L60 HydrophobicContact CD1-CD2 4.23Å; F28-L60 HydrophobicContact CE1-CD1 4.19Å; F28-L60 HydrophobicContact CZ-CD1 3.93Å; I48-L60 VanDerWaalsContact CA-O 3.29Å; I48-L60 WeakPolarHBondContact CA-O 3.49Å; R49-L60 PolarHBondContact N-O 2.8Å; R49-L60 WeakPolarHBondContact O-CA 3.45Å; R49-L60 WeakPolarHBondContact O-CB 3.47Å; R49-L60 PolarHBondContact O-N 2.81Å; I51-L60 HydrophobicContact CD1-CD1 3.77Å; I51-L60 HydrophobicContact CD1-CD2 4.28Å; I51-L60 HydrophobicContact CD1-CG 4.13Å; I51-L60 HydrophobicContact CG1-CD1 4.08Å; I51-L60 HydrophobicContact CG1-CG 4.08Å; I51-L60 HydrophobicContact CG2-CD1 4.06Å; I58-L60 HydrophobicContact CG2-CD2 3.88Å; L60-I62 HydrophobicContact CB-CG1 4.4Å; L60-A167 HydrophobicContact CD2-CB 4.07Å
61Q86.7Confident74.5Confident33 Ų3354.5 Ų54.515%0.15427%0.269CS..EExtended strand (participates in β ladder)trans-101.2107.4169.8-78.6-172.8-20.800108.1L8 F9 K10 L11 F46 I48L8-Q61 HydrophobicContact CD1-CG 3.78Å; F9-Q61 PolarHBondContact O-N 2.68Å; K10-Q61 WeakPolarHBondContact CA-O 3.04Å; K10-Q61 HydrophobicContact CG-CB 4.3Å; L11-Q61 PolarHBondContact N-O 3.39Å; F46-Q61 HydrophobicContact CE2-CB 3.82Å; F46-Q61 HydrophobicContact CE2-CG 3.92Å; F46-Q61 HydrophobicContact CZ-CB 4.25Å; F46-Q61 HydrophobicContact CZ-CG 3.84Å; I48-Q61 HydrophobicContact CD1-CG 4.44Å; I48-Q61 HydrophobicContact CG1-CG 4.26Å
62I86.3Confident72.9Confident0 Ų060.1 Ų60.10%029%0.289CS..EExtended strand (participates in β ladder)trans-105.7123.5-176.7-53.1163.2000108.8L11 L13 L25 F28 K47 L60 F163L11-I62 HydrophobicContact CB-CG1 4.26Å; L11-I62 HydrophobicContact CD1-CG1 4.3Å; L11-I62 WeakPolarHBondContact O-CA 3.31Å; L13-I62 HydrophobicContact CD1-CG2 3.56Å; L13-I62 HydrophobicContact CG-CG2 3.98Å; L25-I62 HydrophobicContact CD1-CB 3.81Å; L25-I62 HydrophobicContact CD1-CD1 3.77Å; L25-I62 HydrophobicContact CD1-CG1 4.41Å; L25-I62 HydrophobicContact CD1-CG2 3.6Å; F28-I62 HydrophobicContact CD1-CD1 3.51Å; F28-I62 HydrophobicContact CE1-CD1 3.48Å; F28-I62 VanDerWaalsContact CE1-CD1 3.48Å; K47-I62 PolarHBondContact N-O 3.2Å; K47-I62 PolarHBondContact O-N 3.44Å; L60-I62 HydrophobicContact CB-CG1 4.4Å; I62-F163 HydrophobicContact CD1-CD1 3.95Å; I62-F163 HydrophobicContact CD1-CE1 3.67Å; I62-F163 HydrophobicContact CD1-CZ 4.35Å; I62-F163 HydrophobicContact CG1-CE1 4.23Å; I62-F163 HydrophobicContact CG2-CE1 4.26Å
63W84.1Confident71.3Confident63 Ų6359.6 Ų59.624%0.23930%0.295CS..EExtended strand (participates in β ladder)trans-102.6110.7176.3-60.788.4000108.3L11 L12 L13 I44 F46 Y78L11-W63 PolarHBondContact O-N 3.46Å; L12-W63 HydrophobicContact CD1-CB 3.61Å; L13-W63 PolarHBondContact N-O 2.97Å; I44-W63 HydrophobicContact CG2-CE3 3.98Å; F46-W63 HydrophobicContact CB-CE3 4.22Å; F46-W63 HydrophobicContact CB-CZ3 4.2Å; F46-W63 AromaticContact CD2-CD2 3.62Å; F46-W63 HydrophobicContact CD2-CD2 3.62Å; F46-W63 AromaticContact CD2-CE2 3.56Å; F46-W63 AromaticContact CD2-CE3 3.73Å; F46-W63 HydrophobicContact CD2-CE3 3.73Å; F46-W63 HydrophobicContact CD2-CG 4.29Å; F46-W63 AromaticContact CD2-CH2 3.77Å; F46-W63 HydrophobicContact CD2-CH2 3.77Å; F46-W63 AromaticContact CD2-CZ2 3.66Å; F46-W63 HydrophobicContact CD2-CZ2 3.66Å; F46-W63 AromaticContact CD2-CZ3 3.79Å; F46-W63 HydrophobicContact CD2-CZ3 3.79Å; F46-W63 HydrophobicContact CE2-CD2 4.17Å; F46-W63 AromaticContact CE2-CE2 3.61Å; F46-W63 HydrophobicContact CE2-CH2 4.01Å; F46-W63 AromaticContact CE2-CZ2 3.55Å; F46-W63 HydrophobicContact CE2-CZ2 3.55Å; F46-W63 HydrophobicContact CE2-CZ3 4.48Å; F46-W63 AromaticContact CE2-NE1 3.93Å; F46-W63 HydrophobicContact CG-CE3 4.35Å; F46-W63 HydrophobicContact CG-CH2 4.36Å; F46-W63 HydrophobicContact CG-CZ3 4.19Å; F46-W63 HydrophobicContact CZ-CZ2 4.47Å; W63-Y78 AromaticContact CD2-CD1 3.98Å; W63-Y78 HydrophobicContact CD2-CD1 3.98Å; W63-Y78 HydrophobicContact CD2-CE1 4.11Å; W63-Y78 AromaticContact CE3-CD1 3.81Å; W63-Y78 HydrophobicContact CE3-CD1 3.81Å; W63-Y78 AromaticContact CE3-CE1 3.48Å; W63-Y78 HydrophobicContact CE3-CE1 3.48Å; W63-Y78 VanDerWaalsContact CE3-CE1 3.48Å; W63-Y78 HydrophobicContact CG-CD1 4.49Å; W63-Y78 HydrophobicContact CH2-CE1 4.06Å; W63-Y78 HydrophobicContact CZ3-CD1 4.17Å; W63-Y78 AromaticContact CZ3-CE1 3.47Å; W63-Y78 HydrophobicContact CZ3-CE1 3.47Å; W63-Y78 VanDerWaalsContact CZ3-CE1 3.47Å
64D80.9Confident69.9Low1 Ų163 Ų631%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-89.9116.1171.3-175.835.5000109.3K21 T22 L25 I44 D45K21-D64 VanDerWaalsContact CB-OD1 3.29Å; K21-D64 WeakPolarHBondContact CB-OD1 3.49Å; T22-D64 VanDerWaalsContact CA-OD2 3.32Å; T22-D64 WeakPolarHBondContact CA-OD2 3.24Å; T22-D64 WeakPolarHBondContact CB-OD2 3.27Å; T22-D64 PolarHBondContact OG1-OD2 3.47Å; L25-D64 HydrophobicContact CD2-CB 3.57Å; I44-D64 CarbonylContact C-O 3.58Å; I44-D64 WeakPolarHBondContact CA-O 3.5Å; I44-D64 WeakPolarHBondContact CG2-O 3.26Å; D45-D64 HydrophobicContact CB-CB 4.23Å; D45-D64 PolarHBondContact N-O 3.19Å; D45-D64 PolarHBondContact O-N 2.98Å
65T71.1Confident69.1Low6 Ų658.3 Ų58.34%0.03729%0.288CS..EExtended strand (participates in β ladder)trans-84.2126.8174.558.10000108.6L12 L13 K21 G67 T75L12-T65 HydrophobicContact CD1-CG2 3.65Å; L12-T65 HydrophobicContact CG-CG2 4.45Å; L13-T65 PolarHBondContact O-N 2.84Å; L13-T65 PolarHBondContact O-OG1 3.35Å; K21-T65 WeakPolarHBondContact CE-O 3.39Å; T65-G67 PolarHBondContact O-N 2.92Å; T65-G67 VanDerWaalsContact O-N 3.09Å; T65-T75 HydrophobicContact CG2-CG2 4.13Å
66A61.6Low68.5Low24 Ų2457.9 Ų57.920%0.19827%0.273CS..PPolyproline II helixtrans-57.2124.3170.500000107.6G43 Q68G43-A66 WeakPolarHBondContact O-CB 3.34Å; G43-A66 PolarHBondContact O-N 3.42Å; G43-A66 VanDerWaalsContact O-N 3.09Å; A66-Q68 PolarHBondContact O-N 2.87Å
67G53.3Low67.6Low15 Ų1557.8 Ų57.816%0.15529%0.285CS..SBendtrans-66.115.1-173.600000115.3S17 T65 E69S17-G67 WeakPolarHBondContact CA-O 3.35Å; S17-G67 VanDerWaalsContact CB-O 3.27Å; S17-G67 WeakPolarHBondContact CB-O 3.39Å; S17-G67 PolarHBondContact N-O 2.95Å; T65-G67 PolarHBondContact O-N 2.92Å; T65-G67 VanDerWaalsContact O-N 3.09Å; G67-E69 PolarHBondContact O-N 3.03Å
68Q47.7Very low67Low65 Ų6556.6 Ų56.630%0.30428%0.278SS..  trans-81.7113175.6-140-170.359.800109.8A66 R70 F71A66-Q68 PolarHBondContact O-N 2.87Å; Q68-R70 VanDerWaalsContact CD-NE 3.33Å; Q68-R70 PolarHBondContact O-N 3.26Å; Q68-F71 HydrophobicContact CB-CD2 4.12Å; Q68-F71 HydrophobicContact CB-CE2 4.38Å; Q68-F71 PolarHBondContact O-N 2.98Å
69E47.6Very low66.3Low109 Ų10956.8 Ų56.851%0.50928%0.279SS..G310 helixtrans-49.2-20.3173.360.6-72.4157.800114.5G67 F71 R72G67-E69 PolarHBondContact O-N 3.03Å; E69-F71 PolarHBondContact O-N 3.28Å; E69-R72 PolarHBondContact O-N 3.41Å
70R51.3Low65.5Low185 Ų18564 Ų6470%0.69831%0.305SS*.G310 helixtrans-65.3-16.6174.8-69.3-166.8-74.4-172.7-10.6114.5Q68Q68-R70 VanDerWaalsContact CD-NE 3.33Å; Q68-R70 PolarHBondContact O-N 3.26Å
71F50.7Low64.9Low85 Ų8565.8 Ų65.837%0.37332%0.323SS..G310 helixtrans-106.822.2-179.7-59.9-67.9000114.4Q68 E69 T73 I74 T75Q68-F71 HydrophobicContact CB-CD2 4.12Å; Q68-F71 HydrophobicContact CB-CE2 4.38Å; Q68-F71 PolarHBondContact O-N 2.98Å; E69-F71 PolarHBondContact O-N 3.28Å; F71-T73 PolarHBondContact O-N 2.93Å; F71-I74 HydrophobicContact CB-CB 4.35Å; F71-I74 HydrophobicContact CB-CD1 4.21Å; F71-I74 HydrophobicContact CB-CG1 4.36Å; F71-I74 HydrophobicContact CD1-CD1 3.46Å; F71-I74 VanDerWaalsContact CD1-CD1 3.46Å; F71-I74 HydrophobicContact CD1-CG1 4.28Å; F71-I74 HydrophobicContact CE1-CD1 4.18Å; F71-I74 HydrophobicContact CG-CD1 4.16Å; F71-I74 PolarHBondContact O-N 2.87Å; F71-T75 PolarHBondContact O-N 2.84Å; F71-T75 PolarHBondContact O-OG1 2.77Å
72R51.3Low64.7Low129 Ų12964.7 Ų64.749%0.48732%0.32SS..Hα-helixtrans-48-36.1174.4-89.6-179.6160.2-163.7-4.6113.3E69 I74 T75E69-R72 PolarHBondContact O-N 3.41Å; R72-I74 PolarHBondContact O-N 2.82Å; R72-T75 PolarHBondContact O-N 2.69Å
73T50.4Low64.8Low122 Ų12267.2 Ų67.275%0.74833%0.332SS*.Hα-helixtrans-68.2-30.1177.3-45.50000113.7F71 T76F71-T73 PolarHBondContact O-N 2.93Å; T73-T76 PolarHBondContact O-OG1 3.4Å; T73-T76 VanDerWaalsContact O-OG1 3.1Å
74I55Low65Low78 Ų7864.2 Ų64.240%0.432%0.32SS..Hα-helixtrans-76.7-32.1178.7-58.3-175.7000110.1I44 F71 R72 T76 Y78I44-I74 HydrophobicContact CD1-CG2 3.77Å; F71-I74 HydrophobicContact CB-CB 4.35Å; F71-I74 HydrophobicContact CB-CD1 4.21Å; F71-I74 HydrophobicContact CB-CG1 4.36Å; F71-I74 HydrophobicContact CD1-CD1 3.46Å; F71-I74 VanDerWaalsContact CD1-CD1 3.46Å; F71-I74 HydrophobicContact CD1-CG1 4.28Å; F71-I74 HydrophobicContact CE1-CD1 4.18Å; F71-I74 HydrophobicContact CG-CD1 4.16Å; F71-I74 PolarHBondContact O-N 2.87Å; R72-I74 PolarHBondContact O-N 2.82Å; I74-T76 PolarHBondContact O-N 2.83Å; I74-Y78 HydrophobicContact CG2-CE2 3.93Å; I74-Y78 WeakPolarHBondContact O-CD2 3.48Å
75T62.5Low65.5Low13 Ų1364.1 Ų64.18%0.0832%0.32CS..Hα-helixtrans-69.8-30.4-174.5-49.90000113T65 F71 R72 A77 Y78 Y79T65-T75 HydrophobicContact CG2-CG2 4.13Å; F71-T75 PolarHBondContact O-N 2.84Å; F71-T75 PolarHBondContact O-OG1 2.77Å; R72-T75 PolarHBondContact O-N 2.69Å; T75-A77 VanDerWaalsContact C-N 3.28Å; T75-A77 PolarHBondContact O-N 3.19Å; T75-Y78 PolarHBondContact O-N 3.4Å; T75-Y79 HydrophobicContact CG2-CE1 4.01Å; T75-Y79 HydrophobicContact CG2-CE2 4.03Å; T75-Y79 WeakPolarHBondContact CG2-OH 3.47Å; T75-Y79 PolarHBondContact O-N 3.11Å
76T66.1Low66.4Low52 Ų5263.9 Ų63.932%0.31932%0.319SS..Hα-helixtrans-64.4-30.5-177.553.50000113.6T73 I74 Y78 Y79T73-T76 PolarHBondContact O-OG1 3.4Å; T73-T76 VanDerWaalsContact O-OG1 3.1Å; I74-T76 PolarHBondContact O-N 2.83Å; T76-Y78 VanDerWaalsContact C-N 3.29Å; T76-Y78 PolarHBondContact O-N 2.93Å; T76-Y79 HydrophobicContact CG2-CD2 4.42Å; T76-Y79 HydrophobicContact CG2-CE2 4.38Å; T76-Y79 PolarHBondContact O-N 3.29Å
77A67.4Low67.7Low68 Ų6862.8 Ų62.856%0.56231%0.309SS*.Hα-helixtrans-65.8-31.4174.700000112.6T75T75-A77 VanDerWaalsContact C-N 3.28Å; T75-A77 PolarHBondContact O-N 3.19Å
78Y71.4Confident69.5Low81 Ų8162 Ų6232%0.31830%0.302SS..Hα-helixtrans-83.6-17.6-178.1-66.7-86.7000113.5I44 W63 I74 T75 T76 R80I44-Y78 HydrophobicContact CD1-CD2 3.7Å; I44-Y78 HydrophobicContact CD1-CE1 4.36Å; I44-Y78 HydrophobicContact CD1-CE2 3.17Å; I44-Y78 HydrophobicContact CD1-CG 4.49Å; W63-Y78 AromaticContact CD2-CD1 3.98Å; W63-Y78 HydrophobicContact CD2-CD1 3.98Å; W63-Y78 HydrophobicContact CD2-CE1 4.11Å; W63-Y78 AromaticContact CE3-CD1 3.81Å; W63-Y78 HydrophobicContact CE3-CD1 3.81Å; W63-Y78 AromaticContact CE3-CE1 3.48Å; W63-Y78 HydrophobicContact CE3-CE1 3.48Å; W63-Y78 VanDerWaalsContact CE3-CE1 3.48Å; W63-Y78 HydrophobicContact CG-CD1 4.49Å; W63-Y78 HydrophobicContact CH2-CE1 4.06Å; W63-Y78 HydrophobicContact CZ3-CD1 4.17Å; W63-Y78 AromaticContact CZ3-CE1 3.47Å; W63-Y78 HydrophobicContact CZ3-CE1 3.47Å; W63-Y78 VanDerWaalsContact CZ3-CE1 3.47Å; I74-Y78 HydrophobicContact CG2-CE2 3.93Å; I74-Y78 WeakPolarHBondContact O-CD2 3.48Å; T75-Y78 PolarHBondContact O-N 3.4Å; T76-Y78 VanDerWaalsContact C-N 3.29Å; T76-Y78 PolarHBondContact O-N 2.93Å; Y78-R80 VanDerWaalsContact C-N 3.26Å; Y78-R80 PolarHBondContact O-N 3.23Å
79Y73.2Confident71.5Confident5 Ų559 Ų592%0.0229%0.287CS..Hα-helixtrans-65.6-32171-64.1-44.2000111.9L12 I14 T75 T76 G81 A82 I85 I107 H110L12-Y79 HydrophobicContact CD2-CD1 3.4Å; L12-Y79 VanDerWaalsContact CD2-CD1 3.4Å; L12-Y79 HydrophobicContact CD2-CE1 3.42Å; L12-Y79 VanDerWaalsContact CD2-CE1 3.42Å; I14-Y79 HydrophobicContact CG2-CE1 4.23Å; T75-Y79 HydrophobicContact CG2-CE1 4.01Å; T75-Y79 HydrophobicContact CG2-CE2 4.03Å; T75-Y79 WeakPolarHBondContact CG2-OH 3.47Å; T75-Y79 PolarHBondContact O-N 3.11Å; T76-Y79 HydrophobicContact CG2-CD2 4.42Å; T76-Y79 HydrophobicContact CG2-CE2 4.38Å; T76-Y79 PolarHBondContact O-N 3.29Å; Y79-G81 PolarHBondContact O-N 2.87Å; Y79-A82 PolarHBondContact O-N 2.88Å; Y79-I85 HydrophobicContact CD1-CD1 3.98Å; Y79-I85 HydrophobicContact CE1-CD1 4.39Å; Y79-I107 HydrophobicContact CE1-CG1 4.36Å; Y79-H110 HydrophobicContact CD2-CB 3.61Å; Y79-H110 HydrophobicContact CE2-CB 4.32Å; Y79-H110 HydrophobicContact CG-CB 4.37Å
80R69.7Low73.5Confident211 Ų21154.1 Ų54.180%0.79627%0.265SS*.THydrogen-bonded Turntrans-73.299.7176.7-79.1-175.1176.4146.40.2110.7Y78Y78-R80 VanDerWaalsContact C-N 3.26Å; Y78-R80 PolarHBondContact O-N 3.23Å
81G73.9Confident75.3Confident37 Ų3745.3 Ų45.338%0.38123%0.232SC..THydrogen-bonded Turntrans102.33.917900000114.4K10 Y79K10-G81 WeakPolarHBondContact CD-O 3.41Å; Y79-G81 PolarHBondContact O-N 2.87Å
82A84Confident77.1Confident10 Ų1042.8 Ų42.88%0.08322%0.224CC..  trans-66.6131.8163.100000109.3L12 Y79 I85 V115L12-A82 HydrophobicContact CB-CB 4.43Å; Y79-A82 PolarHBondContact O-N 2.88Å; A82-I85 HydrophobicContact CB-CD1 4.48Å; A82-I85 HydrophobicContact CB-CG1 4.14Å; A82-V115 HydrophobicContact CB-CG2 4.43Å; A82-V115 WeakPolarHBondContact O-CG2 3.34Å
83M87.4Confident78.8Confident52 Ų5239.5 Ų39.526%0.25622%0.216SC..SBendtrans-95.8-30.3176.8-59.5175.173.200110.8L8 F9 K10 E116 I170 M174L8-M83 VanDerWaalsContact O-SD 3.36Å; F9-M83 HydrophobicContact CB-SD 4.45Å; F9-M83 HydrophobicContact CD1-CE 3.85Å; F9-M83 HydrophobicContact CD1-SD 4.11Å; F9-M83 HydrophobicContact CE1-CE 4.33Å; K10-M83 PolarHBondContact O-N 3.39Å; M83-E116 PolarHBondContact O-N 2.72Å; M83-I170 HydrophobicContact CB-CD1 4.36Å; M83-I170 HydrophobicContact CB-CG2 4.12Å; M83-I170 HydrophobicContact CE-CG2 3.93Å; M83-M174 HydrophobicContact CE-CE 3.3Å; M83-M174 HydrophobicContact CE-CG 4.39Å; M83-M174 HydrophobicContact CE-SD 3.27Å; M83-M174 WeakPolarHBondContact CE-SD 3.12Å
84G89.7Confident80.5Confident0 Ų037.3 Ų37.30%020%0.197CC..EExtended strand (participates in β ladder)trans-134.2145.817200000112.1K10 L11 L12 E116K10-G84 PolarHBondContact O-N 2.85Å; K10-G84 VanDerWaalsContact O-N 3.12Å; L11-G84 CarbonylContact C-O 3.56Å; L11-G84 VanDerWaalsContact CA-O 3.31Å; L11-G84 WeakPolarHBondContact CA-O 3.5Å; L12-G84 PolarHBondContact N-O 3.45Å; G84-E116 CarbonylContact C-O 3.49Å; G84-E116 VanDerWaalsContact CA-O 3.23Å; G84-E116 WeakPolarHBondContact CA-O 3.42Å
85I89.6Confident82.1Confident0 Ų041 Ų410%021%0.21CC..EExtended strand (participates in β ladder)trans-127.2129173.7-60.7169.7000108.8L12 I14 Y79 A82 L87 I107 A111 V115 E116 R117 M118L12-I85 HydrophobicContact CB-CG1 4.22Å; L12-I85 WeakPolarHBondContact O-CA 3.47Å; I14-I85 HydrophobicContact CD1-CG2 3.86Å; I14-I85 HydrophobicContact CG1-CG2 3.92Å; I14-I85 HydrophobicContact CG2-CG2 4.41Å; Y79-I85 HydrophobicContact CD1-CD1 3.98Å; Y79-I85 HydrophobicContact CE1-CD1 4.39Å; A82-I85 HydrophobicContact CB-CD1 4.48Å; A82-I85 HydrophobicContact CB-CG1 4.14Å; I85-L87 HydrophobicContact CG2-CD1 4.41Å; I85-I107 HydrophobicContact CB-CD1 4.37Å; I85-I107 HydrophobicContact CD1-CB 4.44Å; I85-I107 HydrophobicContact CD1-CD1 4.34Å; I85-I107 HydrophobicContact CD1-CG1 3.98Å; I85-I107 HydrophobicContact CD1-CG2 3.65Å; I85-I107 HydrophobicContact CG2-CD1 3.67Å; I85-I107 HydrophobicContact CG2-CG1 4.24Å; I85-A111 HydrophobicContact CD1-CB 4.05Å; I85-V115 HydrophobicContact CB-CG2 4.44Å; I85-V115 HydrophobicContact CD1-CG1 4.15Å; I85-V115 HydrophobicContact CD1-CG2 3.68Å; I85-V115 HydrophobicContact CG1-CG2 3.63Å; I85-E116 PolarHBondContact N-O 2.91Å; I85-R117 WeakPolarHBondContact O-CA 3.5Å; I85-M118 PolarHBondContact O-N 2.82Å
86M90.4Very high83.2Confident1 Ų140.5 Ų40.51%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-110.8115.3178-66.5-178.197.700109L12 L13 I14 M118 L120 A162 F163 L166L12-M86 PolarHBondContact O-N 3.46Å; L13-M86 HydrophobicContact CD2-CB 3.61Å; L13-M86 HydrophobicContact CD2-CG 4.4Å; L13-M86 HydrophobicContact CD2-SD 4.07Å; I14-M86 PolarHBondContact N-O 2.85Å; M86-M118 CarbonylContact C-O 3.57Å; M86-M118 WeakPolarHBondContact CA-O 3.3Å; M86-M118 HydrophobicContact CE-SD 4.27Å; M86-L120 HydrophobicContact CE-CD1 3.52Å; M86-L120 HydrophobicContact CE-CD2 4.18Å; M86-L120 HydrophobicContact CE-CG 4.15Å; M86-A162 HydrophobicContact CE-CB 3.73Å; M86-F163 HydrophobicContact CE-CD1 4.19Å; M86-F163 HydrophobicContact CE-CE1 4.32Å; M86-F163 HydrophobicContact CE-CG 4.34Å; M86-F163 HydrophobicContact SD-CD1 3.57Å; M86-F163 VanDerWaalsContact SD-CD1 3.57Å; M86-F163 HydrophobicContact SD-CE1 3.42Å; M86-F163 WeakPolarHBondContact SD-CE1 3.47Å; M86-F163 HydrophobicContact SD-CG 4.3Å; M86-F163 HydrophobicContact SD-CZ 4.05Å; M86-L166 HydrophobicContact CE-CD2 4.36Å; M86-L166 HydrophobicContact CG-CD2 3.27Å; M86-L166 HydrophobicContact SD-CD2 3.77Å
87L89.9Confident84.3Confident0 Ų038.6 Ų38.60%019%0.194CC..EExtended strand (participates in β ladder)trans-93.4117.2177-60.194.1000109I14 I85 I100 W103 I104 I107 M118 V119 L120I14-L87 HydrophobicContact CD1-CD2 4.02Å; I14-L87 HydrophobicContact CD1-CG 3.89Å; I14-L87 HydrophobicContact CG1-CB 4.35Å; I14-L87 HydrophobicContact CG1-CD2 4.39Å; I14-L87 HydrophobicContact CG1-CG 3.84Å; I14-L87 CarbonylContact O-C 3.51Å; I14-L87 WeakPolarHBondContact O-CA 3.43Å; I85-L87 HydrophobicContact CG2-CD1 4.41Å; L87-I100 HydrophobicContact CB-CD1 3.83Å; L87-I100 HydrophobicContact CD2-CD1 4.37Å; L87-I100 HydrophobicContact CD2-CG2 4.06Å; L87-W103 HydrophobicContact CD2-CB 3.69Å; L87-I104 HydrophobicContact CD2-CG1 3.69Å; L87-I107 HydrophobicContact CD1-CD1 3.83Å; L87-I107 HydrophobicContact CD2-CD1 3.86Å; L87-I107 HydrophobicContact CG-CD1 4Å; L87-M118 PolarHBondContact N-O 3.33Å; L87-V119 HydrophobicContact CB-CG2 4.37Å; L87-V119 HydrophobicContact CD1-CG2 4.41Å; L87-V119 CarbonylContact O-C 3.59Å; L87-V119 WeakPolarHBondContact O-CA 3.48Å; L87-L120 PolarHBondContact O-N 3.05Å
88V89.9Confident85.3Confident0 Ų039.2 Ų39.20%019%0.188CC..EExtended strand (participates in β ladder)trans-106.9127.6-179.3-169.70000109.6L13 I14 G15 V19 K21 L120 N122L13-V88 HydrophobicContact CD2-CG2 4.11Å; I14-V88 PolarHBondContact O-N 2.93Å; G15-V88 WeakPolarHBondContact CA-O 3.3Å; V19-V88 HydrophobicContact CG2-CB 4.12Å; V19-V88 HydrophobicContact CG2-CG1 4.02Å; K21-V88 HydrophobicContact CG-CB 3.95Å; K21-V88 HydrophobicContact CG-CG2 4.1Å; V88-L120 WeakPolarHBondContact CA-O 3.38Å; V88-L120 HydrophobicContact CG1-CB 4.47Å; V88-L120 HydrophobicContact CG2-CB 4.28Å; V88-L120 HydrophobicContact CG2-CD1 4.16Å; V88-N122 HydrophobicContact CG1-CB 3.79Å
89Y90.8Very high86Confident0 Ų038 Ų380%019%0.187CC..EExtended strand (participates in β ladder)trans-123168.4167.674.2-89.5000110.6I91 F97 I100 V119 L120 N122 V132 F148Y89-I91 HydrophobicContact CE2-CG2 4.07Å; Y89-F97 HydrophobicContact CD1-CD2 4.34Å; Y89-F97 HydrophobicContact CD2-CB 4.08Å; Y89-F97 HydrophobicContact CD2-CD2 4.04Å; Y89-F97 HydrophobicContact CE1-CD2 4.1Å; Y89-F97 HydrophobicContact CE1-CE2 4.49Å; Y89-F97 HydrophobicContact CE2-CB 4.47Å; Y89-F97 AromaticContact CE2-CD2 3.83Å; Y89-F97 HydrophobicContact CE2-CD2 3.83Å; Y89-F97 HydrophobicContact CG-CD2 4.3Å; Y89-F97 AromaticContact CZ-CD2 3.85Å; Y89-I100 HydrophobicContact CD1-CD1 4.37Å; Y89-I100 HydrophobicContact CD1-CG1 4.14Å; Y89-I100 HydrophobicContact CG-CG1 4.24Å; Y89-V119 HydrophobicContact CD1-CG1 3.6Å; Y89-V119 HydrophobicContact CE1-CG1 3.52Å; Y89-L120 WeakPolarHBondContact CD1-O 3.33Å; Y89-L120 PolarHBondContact N-O 2.6Å; Y89-N122 PolarHBondContact O-N 3.28Å; Y89-V132 HydrophobicContact CE2-CB 4.14Å; Y89-V132 HydrophobicContact CE2-CG1 3.89Å; Y89-V132 HydrophobicContact CE2-CG2 4.42Å; Y89-F148 HydrophobicContact CE1-CD2 4.41Å; Y89-F148 AromaticContact CE1-CE2 3.76Å; Y89-F148 HydrophobicContact CE1-CE2 3.76Å; Y89-F148 AromaticContact CZ-CE2 3.84Å; Y89-F148 WeakPolarHBondContact OH-CE2 3.34Å; Y89-F148 WeakPolarHBondContact OH-CZ 3.44Å
90D89.5Confident86.6Confident8 Ų837.7 Ų37.74%0.04319%0.186CC..EExtended strand (participates in β ladder)trans-103.9124.6178-178.7-12.2000109.9V19 T92 N93 S96 K123V19-D90 HydrophobicContact CB-CB 4.29Å; V19-D90 HydrophobicContact CG1-CB 4.2Å; D90-T92 PolarHBondContact O-N 2.99Å; D90-T92 VanDerWaalsContact O-N 3.16Å; D90-T92 WeakPolarHBondContact OD1-CB 3.28Å; D90-T92 PolarHBondContact OD1-N 3Å; D90-T92 PolarHBondContact OD1-OG1 2.84Å; D90-T92 PolarHBondContact OD2-OG1 2.8Å; D90-T92 VanDerWaalsContact OD2-OG1 3.12Å; D90-N93 HydrophobicContact CB-CB 4.18Å; D90-N93 PolarHBondContact O-N 2.78Å; D90-N93 VanDerWaalsContact O-N 3.14Å; D90-S96 PolarHBondContact N-OG 3.33Å; D90-S96 PolarHBondContact O-OG 3.01Å; D90-K123 WeakPolarHBondContact OD1-CD 3.36Å; D90-K123 WeakPolarHBondContact OD2-CD 3.43Å; D90-K123 WeakPolarHBondContact OD2-CE 3.21Å; D90-K123 IonicContact OD2-NZ 2.66Å; D90-K123 PolarHBondContact OD2-NZ 2.99Å
91I89.5Confident87.4Confident0 Ų031.1 Ų31.10%016%0.163CC..THydrogen-bonded Turntrans-64-19.5179.365.8152.9000113.6Y89 N122 K123 R130 Q131 V132Y89-I91 HydrophobicContact CE2-CG2 4.07Å; I91-N122 WeakPolarHBondContact CG1-O 3.37Å; I91-N122 PolarHBondContact N-O 3.43Å; I91-N122 VanDerWaalsContact N-O 3.1Å; I91-K123 VanDerWaalsContact CD1-O 3.3Å; I91-K123 WeakPolarHBondContact CD1-O 3.35Å; I91-K123 HydrophobicContact CG1-CB 4.42Å; I91-K123 WeakPolarHBondContact CG1-O 3.1Å; I91-R130 HydrophobicContact CD1-CB 4.34Å; I91-R130 HydrophobicContact CD1-CG 4.29Å; I91-Q131 PolarHBondContact O-N 3.22Å; I91-V132 PolarHBondContact O-N 3.49Å
92T87.6Confident88Confident32 Ų3232.4 Ų32.420%0.19616%0.161CC..THydrogen-bonded Turntrans-88.9-6.3179.869.40000113.2D90 V126 K129 Q131D90-T92 PolarHBondContact O-N 2.99Å; D90-T92 VanDerWaalsContact O-N 3.16Å; D90-T92 WeakPolarHBondContact OD1-CB 3.28Å; D90-T92 PolarHBondContact OD1-N 3Å; D90-T92 PolarHBondContact OD1-OG1 2.84Å; D90-T92 PolarHBondContact OD2-OG1 2.8Å; D90-T92 VanDerWaalsContact OD2-OG1 3.12Å; T92-V126 HydrophobicContact CG2-CB 4.17Å; T92-V126 HydrophobicContact CG2-CG1 4.48Å; T92-K129 WeakPolarHBondContact CA-O 3.36Å; T92-K129 HydrophobicContact CG2-CB 4.05Å; T92-Q131 WeakPolarHBondContact O-CG 3.42Å; T92-Q131 PolarHBondContact O-OE1 2.85Å
93N85.9Confident88.1Confident60 Ų6033.1 Ų33.132%0.32116%0.162SC..  trans-130.6103.7-176-176.1-5.6000111.2D90 K95 S96D90-N93 HydrophobicContact CB-CB 4.18Å; D90-N93 PolarHBondContact O-N 2.78Å; D90-N93 VanDerWaalsContact O-N 3.14Å; N93-K95 VanDerWaalsContact C-N 3.29Å; N93-K95 PolarHBondContact O-N 2.95Å; N93-K95 WeakPolarHBondContact OD1-CB 3.38Å; N93-K95 PolarHBondContact OD1-N 2.94Å; N93-K95 VanDerWaalsContact OD1-N 3.1Å; N93-S96 WeakPolarHBondContact O-CB 3.24Å; N93-S96 PolarHBondContact O-N 3.45Å; N93-S96 VanDerWaalsContact O-N 3.15Å; N93-S96 PolarHBondContact O-OG 2.91Å
94E87.9Confident87.9Confident75 Ų7530.6 Ų30.635%0.3515%0.149SC..Hα-helixtrans-59.6-35.4179.3-170.7168.6-148.700113S96 F97 D98 Q131 R136E94-S96 VanDerWaalsContact C-N 3.25Å; E94-S96 PolarHBondContact O-N 3.12Å; E94-F97 WeakPolarHBondContact O-CA 3.46Å; E94-F97 WeakPolarHBondContact O-CB 3.28Å; E94-F97 PolarHBondContact O-N 2.84Å; E94-D98 PolarHBondContact O-N 2.78Å; E94-Q131 HydrophobicContact CB-CB 4.5Å; E94-R136 IonicContact OE1-CZ 3.63Å; E94-R136 IonicContact OE1-NH1 2.69Å; E94-R136 PolarHBondContact OE1-NH1 3.31Å
95K87.9Confident87.7Confident156 Ų15637 Ų3768%0.67817%0.173SC*.Hα-helixtrans-60.7-37.1178.1-62.1-178.5178.5179.20112.2N93 F97 D98 N99N93-K95 VanDerWaalsContact C-N 3.29Å; N93-K95 PolarHBondContact O-N 2.95Å; N93-K95 WeakPolarHBondContact OD1-CB 3.38Å; N93-K95 PolarHBondContact OD1-N 2.94Å; N93-K95 VanDerWaalsContact OD1-N 3.1Å; K95-F97 PolarHBondContact O-N 3.32Å; K95-D98 PolarHBondContact O-N 2.78Å; K95-N99 WeakPolarHBondContact O-CB 3.23Å; K95-N99 VanDerWaalsContact O-CG 3.31Å; K95-N99 PolarHBondContact O-N 3.21Å; K95-N99 PolarHBondContact O-ND2 3.44Å
96S86.1Confident87.3Confident2 Ų238.6 Ų38.61%0.01418%0.182CC..Hα-helixtrans-65.8-32.7178.577.50000111.7D90 N93 E94 I100D90-S96 PolarHBondContact N-OG 3.33Å; D90-S96 PolarHBondContact O-OG 3.01Å; N93-S96 WeakPolarHBondContact O-CB 3.24Å; N93-S96 PolarHBondContact O-N 3.45Å; N93-S96 VanDerWaalsContact O-N 3.15Å; N93-S96 PolarHBondContact O-OG 2.91Å; E94-S96 VanDerWaalsContact C-N 3.25Å; E94-S96 PolarHBondContact O-N 3.12Å; S96-I100 PolarHBondContact O-N 3.49Å
97F88.7Confident87Confident13 Ų1338.5 Ų38.56%0.05718%0.182CC..Hα-helixtrans-74.1-43.3176.3177.3-99.7000112Y89 E94 K95 N99 I100 V132 R136 L140Y89-F97 HydrophobicContact CD1-CD2 4.34Å; Y89-F97 HydrophobicContact CD2-CB 4.08Å; Y89-F97 HydrophobicContact CD2-CD2 4.04Å; Y89-F97 HydrophobicContact CE1-CD2 4.1Å; Y89-F97 HydrophobicContact CE1-CE2 4.49Å; Y89-F97 HydrophobicContact CE2-CB 4.47Å; Y89-F97 AromaticContact CE2-CD2 3.83Å; Y89-F97 HydrophobicContact CE2-CD2 3.83Å; Y89-F97 HydrophobicContact CG-CD2 4.3Å; Y89-F97 AromaticContact CZ-CD2 3.85Å; E94-F97 WeakPolarHBondContact O-CA 3.46Å; E94-F97 WeakPolarHBondContact O-CB 3.28Å; E94-F97 PolarHBondContact O-N 2.84Å; K95-F97 PolarHBondContact O-N 3.32Å; F97-N99 PolarHBondContact O-N 3.06Å; F97-I100 VanDerWaalsContact O-CB 3.27Å; F97-I100 WeakPolarHBondContact O-CB 3.49Å; F97-I100 PolarHBondContact O-N 2.92Å; F97-V132 HydrophobicContact CB-CG1 4.47Å; F97-V132 HydrophobicContact CB-CG2 3.79Å; F97-V132 HydrophobicContact CD1-CG1 4.38Å; F97-V132 HydrophobicContact CD2-CG1 3.75Å; F97-V132 HydrophobicContact CE2-CG1 3.99Å; F97-V132 HydrophobicContact CG-CG1 3.95Å; F97-V132 HydrophobicContact CG-CG2 4.09Å; F97-V132 HydrophobicContact CZ-CG1 4.4Å; F97-R136 HydrophobicContact CZ-CB 4.25Å; F97-L140 HydrophobicContact CD2-CD2 4.38Å; F97-L140 HydrophobicContact CE2-CB 4.26Å; F97-L140 HydrophobicContact CE2-CD2 3.63Å; F97-L140 HydrophobicContact CZ-CB 3.94Å; F97-L140 HydrophobicContact CZ-CD2 3.78Å; F97-L140 HydrophobicContact CZ-CG 4.3Å
98D88.4Confident86.6Confident81 Ų8143 Ų4343%0.43320%0.203SC..Hα-helixtrans-60.4-37.1175.3-71.4-25.4000111.7E94 K95 I100 K101E94-D98 PolarHBondContact O-N 2.78Å; K95-D98 PolarHBondContact O-N 2.78Å; D98-I100 PolarHBondContact O-N 3.35Å; D98-K101 PolarHBondContact O-N 3.05Å
99N86.5Confident86.2Confident54 Ų5449.7 Ų49.729%0.28923%0.234SC..Hα-helixtrans-64.7-22.9175.9-77.7-26000113.5D16 K95 F97 K101 N102 W103D16-N99 PolarHBondContact OD2-ND2 3.38Å; K95-N99 WeakPolarHBondContact O-CB 3.23Å; K95-N99 VanDerWaalsContact O-CG 3.31Å; K95-N99 PolarHBondContact O-N 3.21Å; K95-N99 PolarHBondContact O-ND2 3.44Å; F97-N99 PolarHBondContact O-N 3.06Å; N99-K101 VanDerWaalsContact C-N 3.25Å; N99-K101 PolarHBondContact O-N 2.99Å; N99-N102 WeakPolarHBondContact O-CB 3.33Å; N99-N102 PolarHBondContact O-N 3.45Å; N99-N102 VanDerWaalsContact O-N 3.08Å; N99-W103 PolarHBondContact O-N 3.24Å
100I86.3Confident85.5Confident0 Ų053.7 Ų53.70%025%0.252CS..Hα-helixtrans-59.2-37.2177.2-66.8-71.8000111.4L87 Y89 S96 F97 D98 N102 W103 I104 V119 L140L87-I100 HydrophobicContact CB-CD1 3.83Å; L87-I100 HydrophobicContact CD2-CD1 4.37Å; L87-I100 HydrophobicContact CD2-CG2 4.06Å; Y89-I100 HydrophobicContact CD1-CD1 4.37Å; Y89-I100 HydrophobicContact CD1-CG1 4.14Å; Y89-I100 HydrophobicContact CG-CG1 4.24Å; S96-I100 PolarHBondContact O-N 3.49Å; F97-I100 VanDerWaalsContact O-CB 3.27Å; F97-I100 WeakPolarHBondContact O-CB 3.49Å; F97-I100 PolarHBondContact O-N 2.92Å; D98-I100 PolarHBondContact O-N 3.35Å; I100-N102 VanDerWaalsContact C-N 3.27Å; I100-N102 PolarHBondContact O-N 3.33Å; I100-W103 WeakPolarHBondContact O-CB 3.47Å; I100-W103 PolarHBondContact O-N 2.89Å; I100-W103 VanDerWaalsContact O-N 3.09Å; I100-I104 HydrophobicContact CG2-CD1 3.79Å; I100-I104 HydrophobicContact CG2-CG1 4.18Å; I100-I104 WeakPolarHBondContact O-CG1 3.22Å; I100-I104 PolarHBondContact O-N 3.12Å; I100-V119 HydrophobicContact CG2-CG1 4.48Å; I100-V119 HydrophobicContact CG2-CG2 4.42Å; I100-L140 HydrophobicContact CB-CD2 4.35Å; I100-L140 HydrophobicContact CG2-CD2 3.86Å
101K85.9Confident84.8Confident73 Ų7354 Ų5432%0.31726%0.256SS..Hα-helixtrans-59.5-40.6176.3-66-178.7179-176.90111.9D98 N99 I104 R105 L140 Y144D98-K101 PolarHBondContact O-N 3.05Å; N99-K101 VanDerWaalsContact C-N 3.25Å; N99-K101 PolarHBondContact O-N 2.99Å; K101-I104 PolarHBondContact O-N 2.81Å; K101-R105 WeakPolarHBondContact O-CG 3.42Å; K101-R105 PolarHBondContact O-N 2.69Å; K101-R105 VanDerWaalsContact O-N 3.12Å; K101-L140 HydrophobicContact CD-CD1 4.33Å; K101-L140 VanDerWaalsContact CE-CD1 3.42Å; K101-L140 HydrophobicContact CG-CD1 3.94Å; K101-Y144 HydrophobicContact CG-CE2 4.41Å
102N86.1Confident83.9Confident63 Ų6356.9 Ų56.934%0.33728%0.276SS..Hα-helixtrans-68.1-38.6176.1-64.8-30.4000111.4N99 I100 R105 N106N99-N102 WeakPolarHBondContact O-CB 3.33Å; N99-N102 PolarHBondContact O-N 3.45Å; N99-N102 VanDerWaalsContact O-N 3.08Å; I100-N102 VanDerWaalsContact C-N 3.27Å; I100-N102 PolarHBondContact O-N 3.33Å; N102-R105 PolarHBondContact O-N 3.31Å; N102-N106 PolarHBondContact O-N 2.99Å; N102-N106 PolarHBondContact O-ND2 3.28Å
103W85.3Confident83.2Confident25 Ų2560.4 Ų60.410%0.09530%0.302CS..Hα-helixtrans-63.7-41.7174.8-69.5117.1000112.4I14 L87 N99 I100 N106 I107I14-W103 HydrophobicContact CB-CE3 4.45Å; I14-W103 HydrophobicContact CD1-CB 3.92Å; I14-W103 HydrophobicContact CD1-CD2 4.34Å; I14-W103 HydrophobicContact CD1-CE3 4.01Å; I14-W103 HydrophobicContact CD1-CG 4.35Å; L87-W103 HydrophobicContact CD2-CB 3.69Å; N99-W103 PolarHBondContact O-N 3.24Å; I100-W103 WeakPolarHBondContact O-CB 3.47Å; I100-W103 PolarHBondContact O-N 2.89Å; I100-W103 VanDerWaalsContact O-N 3.09Å; W103-N106 PolarHBondContact O-N 3.16Å; W103-I107 VanDerWaalsContact O-CG1 3.3Å; W103-I107 WeakPolarHBondContact O-CG1 3.46Å; W103-I107 PolarHBondContact O-N 2.9Å
104I84.8Confident82.8Confident0 Ų061.1 Ų61.10%031%0.306CS..Hα-helixtrans-60.8-48.4176.1-66.6166.2000110.6L87 I100 K101 N106 I107 E108 Y144 I146L87-I104 HydrophobicContact CD2-CG1 3.69Å; I100-I104 HydrophobicContact CG2-CD1 3.79Å; I100-I104 HydrophobicContact CG2-CG1 4.18Å; I100-I104 WeakPolarHBondContact O-CG1 3.22Å; I100-I104 PolarHBondContact O-N 3.12Å; K101-I104 PolarHBondContact O-N 2.81Å; I104-N106 VanDerWaalsContact C-N 3.31Å; I104-N106 PolarHBondContact O-N 3.29Å; I104-I107 WeakPolarHBondContact O-CB 3.21Å; I104-I107 PolarHBondContact O-N 3.33Å; I104-I107 VanDerWaalsContact O-N 3.09Å; I104-E108 HydrophobicContact CG2-CG 4.5Å; I104-E108 WeakPolarHBondContact O-CG 3.49Å; I104-E108 PolarHBondContact O-N 2.75Å; I104-Y144 HydrophobicContact CD1-CD1 4.4Å; I104-Y144 HydrophobicContact CD1-CD2 3.75Å; I104-Y144 HydrophobicContact CD1-CE2 4.11Å; I104-Y144 HydrophobicContact CD1-CG 3.92Å; I104-Y144 HydrophobicContact CG2-CD1 3.71Å; I104-Y144 HydrophobicContact CG2-CE1 4.02Å; I104-Y144 HydrophobicContact CG2-CG 4.19Å; I104-I146 HydrophobicContact CD1-CD1 3.55Å; I104-I146 HydrophobicContact CG1-CD1 4.22Å
105R85Confident82.7Confident134 Ų13457.9 Ų57.951%0.50629%0.291SS..Hα-helixtrans-56.8-44.7176.2-71.1175.3-176172.7-0.2112.1K101 N102 I107 E108 E109K101-R105 WeakPolarHBondContact O-CG 3.42Å; K101-R105 PolarHBondContact O-N 2.69Å; K101-R105 VanDerWaalsContact O-N 3.12Å; N102-R105 PolarHBondContact O-N 3.31Å; R105-I107 VanDerWaalsContact C-N 3.3Å; R105-I107 PolarHBondContact O-N 3.25Å; R105-E108 PolarHBondContact O-N 3.44Å; R105-E108 VanDerWaalsContact O-N 3.14Å; R105-E109 WeakPolarHBondContact O-CG 3.26Å; R105-E109 PolarHBondContact O-N 3.06Å
106N82Confident82.7Confident33 Ų3352.4 Ų52.418%0.17627%0.268CS..Hα-helixtrans-61.3-39.1177.5-68.7-19.7000112.3N102 W103 I104 H110N102-N106 PolarHBondContact O-N 2.99Å; N102-N106 PolarHBondContact O-ND2 3.28Å; W103-N106 PolarHBondContact O-N 3.16Å; I104-N106 VanDerWaalsContact C-N 3.31Å; I104-N106 PolarHBondContact O-N 3.29Å; N106-H110 WeakPolarHBondContact O-CB 3.24Å; N106-H110 PolarHBondContact O-N 3.04Å; N106-H110 VanDerWaalsContact O-N 3.1Å; N106-H110 PolarHBondContact O-ND1 3.45Å
107I82.5Confident82.9Confident0 Ų054.2 Ų54.20%028%0.275CS..Hα-helixtrans-64.3-44.6174.9-65.5162000110.1I14 Y79 I85 L87 W103 I104 R105 E109 H110 A111 V115 R117I14-I107 HydrophobicContact CD1-CD1 3.56Å; I14-I107 HydrophobicContact CD1-CG1 3.87Å; Y79-I107 HydrophobicContact CE1-CG1 4.36Å; I85-I107 HydrophobicContact CB-CD1 4.37Å; I85-I107 HydrophobicContact CD1-CB 4.44Å; I85-I107 HydrophobicContact CD1-CD1 4.34Å; I85-I107 HydrophobicContact CD1-CG1 3.98Å; I85-I107 HydrophobicContact CD1-CG2 3.65Å; I85-I107 HydrophobicContact CG2-CD1 3.67Å; I85-I107 HydrophobicContact CG2-CG1 4.24Å; L87-I107 HydrophobicContact CD1-CD1 3.83Å; L87-I107 HydrophobicContact CD2-CD1 3.86Å; L87-I107 HydrophobicContact CG-CD1 4Å; W103-I107 VanDerWaalsContact O-CG1 3.3Å; W103-I107 WeakPolarHBondContact O-CG1 3.46Å; W103-I107 PolarHBondContact O-N 2.9Å; I104-I107 WeakPolarHBondContact O-CB 3.21Å; I104-I107 PolarHBondContact O-N 3.33Å; I104-I107 VanDerWaalsContact O-N 3.09Å; R105-I107 VanDerWaalsContact C-N 3.3Å; R105-I107 PolarHBondContact O-N 3.25Å; I107-E109 VanDerWaalsContact C-N 3.28Å; I107-E109 PolarHBondContact O-N 2.98Å; I107-H110 PolarHBondContact O-N 3.35Å; I107-A111 HydrophobicContact CG2-CB 3.68Å; I107-A111 WeakPolarHBondContact O-CA 3.4Å; I107-A111 WeakPolarHBondContact O-CB 3.38Å; I107-A111 PolarHBondContact O-N 3.5Å; I107-V115 HydrophobicContact CG2-CG1 4.01Å; I107-R117 HydrophobicContact CG2-CG 4.42Å
108E82.6Confident83Confident95 Ų9553.8 Ų53.844%0.44427%0.273SS..Hα-helixtrans-63.9-34.8-179.7-72.7176.7166.700112.7I104 R105 R117I104-E108 HydrophobicContact CG2-CG 4.5Å; I104-E108 WeakPolarHBondContact O-CG 3.49Å; I104-E108 PolarHBondContact O-N 2.75Å; R105-E108 PolarHBondContact O-N 3.44Å; R105-E108 VanDerWaalsContact O-N 3.14Å; E108-R117 IonicContact OE1-NH1 3.86Å; E108-R117 PolarHBondContact OE1-NH1 2.7Å
109E81.9Confident83.2Confident139 Ų13950 Ų5065%0.6525%0.253SS*.Hα-helixtrans-75.8-34.6177.9-72.7173.9-174.700113.5R105 I107R105-E109 WeakPolarHBondContact O-CG 3.26Å; R105-E109 PolarHBondContact O-N 3.06Å; I107-E109 VanDerWaalsContact C-N 3.28Å; I107-E109 PolarHBondContact O-N 2.98Å
110H75.4Confident83.5Confident84 Ų8447.4 Ų47.439%0.38924%0.239SC..Hα-helixtrans-116.8-22.7-167.1-61.683.1000115.1Y79 N106 I107Y79-H110 HydrophobicContact CD2-CB 3.61Å; Y79-H110 HydrophobicContact CE2-CB 4.32Å; Y79-H110 HydrophobicContact CG-CB 4.37Å; N106-H110 WeakPolarHBondContact O-CB 3.24Å; N106-H110 PolarHBondContact O-N 3.04Å; N106-H110 VanDerWaalsContact O-N 3.1Å; N106-H110 PolarHBondContact O-ND1 3.45Å; I107-H110 PolarHBondContact O-N 3.35Å
111A74.8Confident83.8Confident15 Ų1547.4 Ų47.412%0.12424%0.239CC..SBendtrans-92.4159.8-178.900000111.7I85 I107 V115I85-A111 HydrophobicContact CD1-CB 4.05Å; I107-A111 HydrophobicContact CG2-CB 3.68Å; I107-A111 WeakPolarHBondContact O-CA 3.4Å; I107-A111 WeakPolarHBondContact O-CB 3.38Å; I107-A111 PolarHBondContact O-N 3.5Å; A111-V115 HydrophobicContact CB-CG1 3.95Å
112S71.4Confident83.9Confident61 Ų6144.1 Ų44.143%0.42723%0.225SC..  trans-64.1142.8173.2-56.80000110.7D114 V115S112-D114 PolarHBondContact O-N 2.81Å; S112-V115 WeakPolarHBondContact O-CB 3.29Å; S112-V115 VanDerWaalsContact O-CG1 3.25Å; S112-V115 WeakPolarHBondContact O-CG1 3.19Å; S112-V115 PolarHBondContact O-N 3.48Å
113S71.2Confident83.9Confident105 Ų10544.2 Ų44.273%0.73422%0.222SC*.THydrogen-bonded Turntrans-56.8-20.8176.550.70000113.6
114D77.4Confident83.8Confident75 Ų7544 Ų4440%0.40123%0.225SC..THydrogen-bonded Turntrans-84.9-5.6-179.4-64.4-54.1000114.9S112 E116 K173 K177S112-D114 PolarHBondContact O-N 2.81Å; D114-E116 PolarHBondContact O-N 2.8Å; D114-K173 VanDerWaalsContact O-CE 3.23Å; D114-K173 WeakPolarHBondContact O-CE 3.05Å; D114-K173 PolarHBondContact O-NZ 3.21Å; D114-K177 VanDerWaalsContact OD1-CE 3.23Å; D114-K177 WeakPolarHBondContact OD1-CE 3.28Å; D114-K177 IonicContact OD1-NZ 3.46Å; D114-K177 PolarHBondContact OD1-NZ 2.92Å; D114-K177 IonicContact OD2-NZ 2.69Å; D114-K177 PolarHBondContact OD2-NZ 2.73Å
115V85.6Confident83.6Confident7 Ų746.8 Ų46.84%0.04224%0.239CC..  trans-67.1132.4-178.275.70000110.8A82 I85 I107 A111 S112 R117A82-V115 HydrophobicContact CB-CG2 4.43Å; A82-V115 WeakPolarHBondContact O-CG2 3.34Å; I85-V115 HydrophobicContact CB-CG2 4.44Å; I85-V115 HydrophobicContact CD1-CG1 4.15Å; I85-V115 HydrophobicContact CD1-CG2 3.68Å; I85-V115 HydrophobicContact CG1-CG2 3.63Å; I107-V115 HydrophobicContact CG2-CG1 4.01Å; A111-V115 HydrophobicContact CB-CG1 3.95Å; S112-V115 WeakPolarHBondContact O-CB 3.29Å; S112-V115 VanDerWaalsContact O-CG1 3.25Å; S112-V115 WeakPolarHBondContact O-CG1 3.19Å; S112-V115 PolarHBondContact O-N 3.48Å; V115-R117 HydrophobicContact CG1-CG 4.1Å
116E89.4Confident83.5Confident42 Ų4242.5 Ų42.520%0.19623%0.228CC..EExtended strand (participates in β ladder)trans-84.1137.4174.9-159.658.5-148.500110.2M83 G84 I85 D114 L166 D169 I170 K173M83-E116 PolarHBondContact O-N 2.72Å; G84-E116 CarbonylContact C-O 3.49Å; G84-E116 VanDerWaalsContact CA-O 3.23Å; G84-E116 WeakPolarHBondContact CA-O 3.42Å; I85-E116 PolarHBondContact N-O 2.91Å; D114-E116 PolarHBondContact O-N 2.8Å; E116-L166 HydrophobicContact CB-CD1 3.86Å; E116-L166 HydrophobicContact CG-CD1 3.76Å; E116-D169 HydrophobicContact CG-CB 3.85Å; E116-I170 HydrophobicContact CB-CG1 3.71Å; E116-I170 HydrophobicContact CG-CG1 4.42Å; E116-K173 IonicContact OE2-NZ 2.68Å; E116-K173 PolarHBondContact OE2-NZ 3.21Å
117R89.4Confident83.3Confident40 Ų4045.5 Ų45.515%0.15124%0.244CC..EExtended strand (participates in β ladder)trans-125.3135.2-171.3-56.7173.3-161.9155.6-3.1110.6I85 I107 E108 V115 I146I85-R117 WeakPolarHBondContact O-CA 3.5Å; I107-R117 HydrophobicContact CG2-CG 4.42Å; E108-R117 IonicContact OE1-NH1 3.86Å; E108-R117 PolarHBondContact OE1-NH1 2.7Å; V115-R117 HydrophobicContact CG1-CG 4.1Å; R117-I146 HydrophobicContact CB-CB 4.42Å; R117-I146 HydrophobicContact CB-CG2 3.77Å
118M91.9Very high83Confident3 Ų353.3 Ų53.32%0.01529%0.286CS..EExtended strand (participates in β ladder)trans-137.4137.2175.9178.6174.7-85.300110.6I85 M86 L87 L120 K147 A162 T165 L166I85-M118 PolarHBondContact O-N 2.82Å; M86-M118 CarbonylContact C-O 3.57Å; M86-M118 WeakPolarHBondContact CA-O 3.3Å; M86-M118 HydrophobicContact CE-SD 4.27Å; L87-M118 PolarHBondContact N-O 3.33Å; M118-L120 HydrophobicContact CG-CD2 3.95Å; M118-L120 HydrophobicContact SD-CD2 3.86Å; M118-K147 CarbonylContact C-O 3.55Å; M118-K147 WeakPolarHBondContact CA-O 3.36Å; M118-K147 HydrophobicContact CE-CB 3.67Å; M118-K147 HydrophobicContact CE-CD 3.96Å; M118-K147 HydrophobicContact CE-CG 4.47Å; M118-K147 HydrophobicContact CG-CB 4.26Å; M118-A162 HydrophobicContact SD-CB 4.27Å; M118-T165 HydrophobicContact CE-CG2 3.69Å; M118-L166 HydrophobicContact CB-CD1 4.39Å
119V92.1Very high83Confident2 Ų255.9 Ų55.91%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-99132.2173.3-174.90000109.7L87 Y89 I100 I146 K147 F148 M149L87-V119 HydrophobicContact CB-CG2 4.37Å; L87-V119 HydrophobicContact CD1-CG2 4.41Å; L87-V119 CarbonylContact O-C 3.59Å; L87-V119 WeakPolarHBondContact O-CA 3.48Å; Y89-V119 HydrophobicContact CD1-CG1 3.6Å; Y89-V119 HydrophobicContact CE1-CG1 3.52Å; I100-V119 HydrophobicContact CG2-CG1 4.48Å; I100-V119 HydrophobicContact CG2-CG2 4.42Å; V119-I146 HydrophobicContact CG2-CD1 3.26Å; V119-I146 HydrophobicContact CG2-CG1 3.87Å; V119-K147 PolarHBondContact N-O 3.31Å; V119-F148 HydrophobicContact CB-CD2 4.22Å; V119-F148 HydrophobicContact CG1-CD2 4.15Å; V119-F148 WeakPolarHBondContact O-CA 3.27Å; V119-M149 PolarHBondContact O-N 3.4Å
120L92.1Very high83.2Confident0 Ų052.3 Ų52.30%028%0.276CS..EExtended strand (participates in β ladder)trans-115.4120.4176.6-57.2-175.5000110.8M86 L87 V88 Y89 M118 N122 M149 T151 A162M86-L120 HydrophobicContact CE-CD1 3.52Å; M86-L120 HydrophobicContact CE-CD2 4.18Å; M86-L120 HydrophobicContact CE-CG 4.15Å; L87-L120 PolarHBondContact O-N 3.05Å; V88-L120 WeakPolarHBondContact CA-O 3.38Å; V88-L120 HydrophobicContact CG1-CB 4.47Å; V88-L120 HydrophobicContact CG2-CB 4.28Å; V88-L120 HydrophobicContact CG2-CD1 4.16Å; Y89-L120 WeakPolarHBondContact CD1-O 3.33Å; Y89-L120 PolarHBondContact N-O 2.6Å; M118-L120 HydrophobicContact CG-CD2 3.95Å; M118-L120 HydrophobicContact SD-CD2 3.86Å; L120-N122 PolarHBondContact O-N 2.98Å; L120-M149 VanDerWaalsContact CA-O 3.24Å; L120-M149 WeakPolarHBondContact CA-O 3.3Å; L120-M149 HydrophobicContact CD2-CB 4Å; L120-T151 HydrophobicContact CD1-CG2 4.41Å; L120-T151 HydrophobicContact CD2-CG2 4Å; L120-A162 HydrophobicContact CD1-CB 4.24Å; L120-A162 HydrophobicContact CD2-CB 3.63Å
121G92.1Very high83.8Confident0 Ų053.6 Ų53.60%028%0.282CS..EExtended strand (participates in β ladder)trans-88.796.6167.600000110.1M149 E150 T151G121-M149 PolarHBondContact N-O 3.1Å; G121-E150 CarbonylContact O-C 3.58Å; G121-E150 WeakPolarHBondContact O-CA 3.42Å; G121-T151 PolarHBondContact O-N 2.98Å
122N88.4Confident84.4Confident4 Ų452.9 Ų52.92%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-80162.2-179.5-169.532.6000111.9V19 V88 Y89 I91 L120 T151 A153V19-N122 PolarHBondContact O-ND2 3.18Å; V88-N122 HydrophobicContact CG1-CB 3.79Å; Y89-N122 PolarHBondContact O-N 3.28Å; I91-N122 WeakPolarHBondContact CG1-O 3.37Å; I91-N122 PolarHBondContact N-O 3.43Å; I91-N122 VanDerWaalsContact N-O 3.1Å; L120-N122 PolarHBondContact O-N 2.98Å; N122-T151 CarbonylContact C-O 3.47Å; N122-T151 VanDerWaalsContact CA-O 3.23Å; N122-T151 WeakPolarHBondContact CA-O 3.11Å; N122-T151 PolarHBondContact OD1-O 3.17Å; N122-A153 PolarHBondContact OD1-N 3.04Å
123K85.6Confident85.2Confident64 Ų6452.3 Ų52.328%0.27827%0.272SS..  trans70.532.7-178.8-48.5-170.7-167.31660114.3G18 D90 I91 D125 V126 T151G18-K123 PolarHBondContact O-NZ 2.88Å; D90-K123 WeakPolarHBondContact OD1-CD 3.36Å; D90-K123 WeakPolarHBondContact OD2-CD 3.43Å; D90-K123 WeakPolarHBondContact OD2-CE 3.21Å; D90-K123 IonicContact OD2-NZ 2.66Å; D90-K123 PolarHBondContact OD2-NZ 2.99Å; I91-K123 VanDerWaalsContact CD1-O 3.3Å; I91-K123 WeakPolarHBondContact CD1-O 3.35Å; I91-K123 HydrophobicContact CG1-CB 4.42Å; I91-K123 WeakPolarHBondContact CG1-O 3.1Å; K123-D125 WeakPolarHBondContact CA-OD1 3.44Å; K123-D125 PolarHBondContact O-N 3.44Å; K123-V126 PolarHBondContact O-N 3.21Å; K123-T151 PolarHBondContact N-O 3.22Å
124C83.9Confident86Confident22 Ų2252.2 Ų52.215%0.14926%0.259CS..THydrogen-bonded Turntrans-60.8-12.2176.472.70000114.6V126 E150 T151 S152C124-V126 VanDerWaalsContact C-N 3.3Å; C124-V126 PolarHBondContact O-N 2.96Å; C124-E150 HydrophobicContact CB-CB 4.1Å; C124-T151 PolarHBondContact N-O 3.02Å; C124-T151 VanDerWaalsContact SG-C 3.5Å; C124-T151 PolarHBondContact SG-O 3.01Å; C124-S152 VanDerWaalsContact SG-CB 3.51Å
125D81.9Confident86.6Confident58 Ų5852.5 Ų52.531%0.3126%0.26SS..THydrogen-bonded Turntrans-67.5-25.4171.656.7-70.8000113.6K123 N127 S152 K154 A155K123-D125 WeakPolarHBondContact CA-OD1 3.44Å; K123-D125 PolarHBondContact O-N 3.44Å; D125-N127 PolarHBondContact O-N 3.32Å; D125-S152 VanDerWaalsContact CG-OG 3.29Å; D125-S152 WeakPolarHBondContact OD1-CB 3.25Å; D125-S152 PolarHBondContact OD1-OG 2.79Å; D125-K154 WeakPolarHBondContact OD2-CD 3.3Å; D125-A155 HydrophobicContact CB-CB 4.26Å
126V81.2Confident86.7Confident44 Ų4457.7 Ų57.727%0.26728%0.279SS..  trans-100.559.1-177.1-161.20000110.6T92 K123 C124 D128 K129T92-V126 HydrophobicContact CG2-CB 4.17Å; T92-V126 HydrophobicContact CG2-CG1 4.48Å; K123-V126 PolarHBondContact O-N 3.21Å; C124-V126 VanDerWaalsContact C-N 3.3Å; C124-V126 PolarHBondContact O-N 2.96Å; V126-D128 PolarHBondContact O-N 3.49Å; V126-K129 HydrophobicContact CG1-CB 3.86Å; V126-K129 HydrophobicContact CG1-CD 4.08Å; V126-K129 HydrophobicContact CG1-CG 3.94Å; V126-K129 PolarHBondContact O-N 2.99Å
127N77.6Confident86.6Confident96 Ų9655.8 Ų55.851%0.51327%0.271SS..G310 helixtrans-61.9-28.9-177-156.440.2000112.5D125 K129 R130D125-N127 PolarHBondContact O-N 3.32Å; N127-K129 PolarHBondContact O-N 2.85Å; N127-R130 WeakPolarHBondContact O-CB 3.44Å; N127-R130 PolarHBondContact O-N 2.87Å; N127-R130 VanDerWaalsContact O-N 3.17Å; N127-R130 PolarHBondContact OD1-NE 2.92Å; N127-R130 PolarHBondContact OD1-NH2 3.44Å
128D77.2Confident86.6Confident164 Ų16457.9 Ų57.988%0.87728%0.282SS*.G310 helixtrans-67.2-22.5179.8-56.1-33.1000113.7V126V126-D128 PolarHBondContact O-N 3.49Å
129K82.6Confident86.5Confident148 Ų14863.6 Ų63.664%0.64331%0.307SS*.G310 helixtrans-108.916.7176.8-61.4-173.8-179.9-179.60112.2T92 V126 N127 Q131T92-K129 WeakPolarHBondContact CA-O 3.36Å; T92-K129 HydrophobicContact CG2-CB 4.05Å; V126-K129 HydrophobicContact CG1-CB 3.86Å; V126-K129 HydrophobicContact CG1-CD 4.08Å; V126-K129 HydrophobicContact CG1-CG 3.94Å; V126-K129 PolarHBondContact O-N 2.99Å; N127-K129 PolarHBondContact O-N 2.85Å; K129-Q131 PolarHBondContact O-N 2.88Å
130R86.8Confident86.3Confident64 Ų6463.8 Ų63.824%0.24231%0.308CS..  trans-63120.2-178.9-179.8-178.8-75-94.411.4110I91 N127 V132 E150I91-R130 HydrophobicContact CD1-CB 4.34Å; I91-R130 HydrophobicContact CD1-CG 4.29Å; N127-R130 WeakPolarHBondContact O-CB 3.44Å; N127-R130 PolarHBondContact O-N 2.87Å; N127-R130 VanDerWaalsContact O-N 3.17Å; N127-R130 PolarHBondContact OD1-NE 2.92Å; N127-R130 PolarHBondContact OD1-NH2 3.44Å; R130-V132 WeakPolarHBondContact CD-O 3.44Å; R130-V132 WeakPolarHBondContact CG-O 3.35Å; R130-V132 PolarHBondContact NH1-O 3.12Å; R130-E150 IonicContact CZ-OE1 2.65Å; R130-E150 IonicContact CZ-OE2 2.76Å; R130-E150 IonicContact NH1-OE1 2.75Å; R130-E150 PolarHBondContact NH1-OE1 3.41Å; R130-E150 IonicContact NH1-OE2 3.56Å; R130-E150 IonicContact NH2-OE1 2.82Å; R130-E150 PolarHBondContact NH2-OE1 2.95Å; R130-E150 IonicContact NH2-OE2 3.63Å; R130-E150 PolarHBondContact NH2-OE2 2.93Å
131Q87.9Confident86.2Confident111 Ų11164 Ų6452%0.51931%0.31SS..  trans-100.4-29.3170.3-65.5-167.2-9.800111.4I91 T92 E94 K129I91-Q131 PolarHBondContact O-N 3.22Å; T92-Q131 WeakPolarHBondContact O-CG 3.42Å; T92-Q131 PolarHBondContact O-OE1 2.85Å; E94-Q131 HydrophobicContact CB-CB 4.5Å; K129-Q131 PolarHBondContact O-N 2.88Å
132V87.1Confident86Confident0 Ų071.1 Ų71.10%035%0.347CS..SBendtrans-106.1113.4179.4-173.70000109.6Y89 I91 F97 R130 R136Y89-V132 HydrophobicContact CE2-CB 4.14Å; Y89-V132 HydrophobicContact CE2-CG1 3.89Å; Y89-V132 HydrophobicContact CE2-CG2 4.42Å; I91-V132 PolarHBondContact O-N 3.49Å; F97-V132 HydrophobicContact CB-CG1 4.47Å; F97-V132 HydrophobicContact CB-CG2 3.79Å; F97-V132 HydrophobicContact CD1-CG1 4.38Å; F97-V132 HydrophobicContact CD2-CG1 3.75Å; F97-V132 HydrophobicContact CE2-CG1 3.99Å; F97-V132 HydrophobicContact CG-CG1 3.95Å; F97-V132 HydrophobicContact CG-CG2 4.09Å; F97-V132 HydrophobicContact CZ-CG1 4.4Å; R130-V132 WeakPolarHBondContact CD-O 3.44Å; R130-V132 WeakPolarHBondContact CG-O 3.35Å; R130-V132 PolarHBondContact NH1-O 3.12Å; V132-R136 HydrophobicContact CG1-CB 4.23Å
133S88.1Confident86Confident49 Ų4977.2 Ų77.234%0.34338%0.375SS..  trans-67.9150.717466.60000111.2D135 R136 G137S133-D135 PolarHBondContact O-N 3.32Å; S133-R136 PolarHBondContact O-N 2.75Å; S133-R136 VanDerWaalsContact O-N 3.12Å; S133-R136 PolarHBondContact OG-N 3.34Å; S133-G137 PolarHBondContact O-N 2.93Å
134K88.1Confident85.9Confident104 Ų10476.9 Ų76.945%0.45237%0.372SS..Hα-helixtrans-56.6-40.2175.2-165.3-177.8-175.5-115.10111.7R136 G137 E138 F148 E150K134-R136 VanDerWaalsContact C-N 3.34Å; K134-R136 PolarHBondContact O-N 2.83Å; K134-G137 WeakPolarHBondContact O-CA 3.35Å; K134-G137 PolarHBondContact O-N 2.85Å; K134-G137 VanDerWaalsContact O-N 3.11Å; K134-E138 VanDerWaalsContact CE-OE1 3.28Å; K134-E138 WeakPolarHBondContact CE-OE1 3.42Å; K134-E138 IonicContact NZ-OE1 2.82Å; K134-E138 PolarHBondContact NZ-OE1 3.46Å; K134-E138 WeakPolarHBondContact O-CG 3.4Å; K134-E138 PolarHBondContact O-N 3.01Å; K134-F148 HydrophobicContact CG-CE1 3.83Å; K134-E150 HydrophobicContact CG-CG 4.36Å
135D89.1Confident85.9Confident80 Ų8079.2 Ų79.243%0.42840%0.4SS..Hα-helixtrans-59.2-39.4176.5177.176000112.8S133 E138 K139S133-D135 PolarHBondContact O-N 3.32Å; D135-E138 PolarHBondContact O-N 3.12Å; D135-K139 WeakPolarHBondContact O-CB 3.49Å; D135-K139 VanDerWaalsContact O-CG 3.28Å; D135-K139 WeakPolarHBondContact O-CG 3.45Å; D135-K139 PolarHBondContact O-N 2.96Å; D135-K139 WeakPolarHBondContact OD1-CE 3.23Å; D135-K139 IonicContact OD1-NZ 3.77Å; D135-K139 WeakPolarHBondContact OD2-CE 3.28Å; D135-K139 IonicContact OD2-NZ 2.98Å; D135-K139 PolarHBondContact OD2-NZ 3.17Å
136R89Confident86.3Confident117 Ų11777.3 Ų77.344%0.44239%0.39SS..Hα-helixtrans-64.5-42.2173.6-85.9-174.6172-170.3-1.9111.9E94 F97 V132 S133 K134 L140E94-R136 IonicContact OE1-CZ 3.63Å; E94-R136 IonicContact OE1-NH1 2.69Å; E94-R136 PolarHBondContact OE1-NH1 3.31Å; F97-R136 HydrophobicContact CZ-CB 4.25Å; V132-R136 HydrophobicContact CG1-CB 4.23Å; S133-R136 PolarHBondContact O-N 2.75Å; S133-R136 VanDerWaalsContact O-N 3.12Å; S133-R136 PolarHBondContact OG-N 3.34Å; K134-R136 VanDerWaalsContact C-N 3.34Å; K134-R136 PolarHBondContact O-N 2.83Å; R136-L140 WeakPolarHBondContact O-CB 3.4Å; R136-L140 PolarHBondContact O-N 3.21Å
137G87Confident86.7Confident2 Ų279.2 Ų79.22%0.02139%0.394CS..Hα-helixtrans-61.2-46.2175.600000112.3S133 K134 L140 A141S133-G137 PolarHBondContact O-N 2.93Å; K134-G137 WeakPolarHBondContact O-CA 3.35Å; K134-G137 PolarHBondContact O-N 2.85Å; K134-G137 VanDerWaalsContact O-N 3.11Å; G137-L140 PolarHBondContact O-N 2.89Å; G137-A141 WeakPolarHBondContact O-CB 3.4Å; G137-A141 PolarHBondContact O-N 3.44Å
138E88.8Confident87.4Confident84 Ų8476.2 Ų76.239%0.39338%0.377SS..Hα-helixtrans-65.2-41.8177.7-73.3176.6-178.800112.3K134 D135 A141 L142 F148K134-E138 VanDerWaalsContact CE-OE1 3.28Å; K134-E138 WeakPolarHBondContact CE-OE1 3.42Å; K134-E138 IonicContact NZ-OE1 2.82Å; K134-E138 PolarHBondContact NZ-OE1 3.46Å; K134-E138 WeakPolarHBondContact O-CG 3.4Å; K134-E138 PolarHBondContact O-N 3.01Å; D135-E138 PolarHBondContact O-N 3.12Å; E138-A141 WeakPolarHBondContact O-CB 3.31Å; E138-A141 PolarHBondContact O-N 3.14Å; E138-L142 WeakPolarHBondContact O-CB 3.15Å; E138-L142 PolarHBondContact O-N 3.36Å; E138-F148 HydrophobicContact CB-CD1 4.49Å; E138-F148 HydrophobicContact CG-CD1 3.53Å; E138-F148 HydrophobicContact CG-CE1 3.93Å
139K91.1Very high88.1Confident123 Ų12370.2 Ų70.254%0.53534%0.344SS..Hα-helixtrans-61.4-45.4175.6-79.8172.4177.6163.50112.4D135 A141 L142 E143D135-K139 WeakPolarHBondContact O-CB 3.49Å; D135-K139 VanDerWaalsContact O-CG 3.28Å; D135-K139 WeakPolarHBondContact O-CG 3.45Å; D135-K139 PolarHBondContact O-N 2.96Å; D135-K139 WeakPolarHBondContact OD1-CE 3.23Å; D135-K139 IonicContact OD1-NZ 3.77Å; D135-K139 WeakPolarHBondContact OD2-CE 3.28Å; D135-K139 IonicContact OD2-NZ 2.98Å; D135-K139 PolarHBondContact OD2-NZ 3.17Å; K139-A141 VanDerWaalsContact C-N 3.28Å; K139-A141 PolarHBondContact O-N 3.47Å; K139-L142 PolarHBondContact O-N 3.29Å; K139-E143 WeakPolarHBondContact O-CB 3.12Å; K139-E143 PolarHBondContact O-N 3.09Å
140L87.8Confident88.5Confident6 Ų664.4 Ų64.43%0.03132%0.319CS..Hα-helixtrans-60.2-44.2175.3-171.877.5000110.5F97 I100 K101 R136 G137 L142 E143 Y144F97-L140 HydrophobicContact CD2-CD2 4.38Å; F97-L140 HydrophobicContact CE2-CB 4.26Å; F97-L140 HydrophobicContact CE2-CD2 3.63Å; F97-L140 HydrophobicContact CZ-CB 3.94Å; F97-L140 HydrophobicContact CZ-CD2 3.78Å; F97-L140 HydrophobicContact CZ-CG 4.3Å; I100-L140 HydrophobicContact CB-CD2 4.35Å; I100-L140 HydrophobicContact CG2-CD2 3.86Å; K101-L140 HydrophobicContact CD-CD1 4.33Å; K101-L140 VanDerWaalsContact CE-CD1 3.42Å; K101-L140 HydrophobicContact CG-CD1 3.94Å; R136-L140 WeakPolarHBondContact O-CB 3.4Å; R136-L140 PolarHBondContact O-N 3.21Å; G137-L140 PolarHBondContact O-N 2.89Å; L140-L142 VanDerWaalsContact C-N 3.34Å; L140-L142 PolarHBondContact O-N 2.86Å; L140-E143 PolarHBondContact O-N 3.02Å; L140-Y144 HydrophobicContact CD1-CD2 4.01Å; L140-Y144 HydrophobicContact CD1-CE2 3.61Å; L140-Y144 HydrophobicContact CG-CD2 4.1Å; L140-Y144 HydrophobicContact CG-CE2 4.2Å; L140-Y144 VanDerWaalsContact O-CD2 3.3Å; L140-Y144 WeakPolarHBondContact O-CD2 3.43Å; L140-Y144 PolarHBondContact O-N 2.97Å; L140-Y144 VanDerWaalsContact O-N 3.16Å
141A88.5Confident88.7Confident5 Ų561.3 Ų61.34%0.04131%0.308CS..Hα-helixtrans-63.6-40.9-179.900000112.1G137 E138 K139 G145 I146 F148G137-A141 WeakPolarHBondContact O-CB 3.4Å; G137-A141 PolarHBondContact O-N 3.44Å; E138-A141 WeakPolarHBondContact O-CB 3.31Å; E138-A141 PolarHBondContact O-N 3.14Å; K139-A141 VanDerWaalsContact C-N 3.28Å; K139-A141 PolarHBondContact O-N 3.47Å; A141-G145 CarbonylContact O-C 3.58Å; A141-G145 WeakPolarHBondContact O-CA 3.4Å; A141-G145 PolarHBondContact O-N 3.01Å; A141-I146 CarbonylContact C-O 3.54Å; A141-I146 HydrophobicContact CB-CG1 4.18Å; A141-I146 VanDerWaalsContact CB-O 3.3Å; A141-I146 WeakPolarHBondContact CB-O 3.41Å; A141-I146 PolarHBondContact O-N 3.3Å; A141-I146 VanDerWaalsContact O-O 3.14Å; A141-F148 HydrophobicContact CB-CB 3.49Å; A141-F148 VanDerWaalsContact CB-CB 3.49Å; A141-F148 HydrophobicContact CB-CG 4.46Å
142L88.6Confident88.7Confident148 Ų14856 Ų5678%0.77528%0.283SS*.Hα-helixtrans-64-43.3174.5-165.783.5000112E138 K139 L140 Y144 G145E138-L142 WeakPolarHBondContact O-CB 3.15Å; E138-L142 PolarHBondContact O-N 3.36Å; K139-L142 PolarHBondContact O-N 3.29Å; L140-L142 VanDerWaalsContact C-N 3.34Å; L140-L142 PolarHBondContact O-N 2.86Å; L142-Y144 VanDerWaalsContact C-N 3.31Å; L142-Y144 PolarHBondContact O-N 3.09Å; L142-G145 PolarHBondContact O-N 2.94Å
143E88.2Confident88.5Confident133 Ų13356.3 Ų56.362%0.62129%0.285SS*.Hα-helixtrans-59.3-41.5180-174.1-179.317600111.9K139 L140K139-E143 WeakPolarHBondContact O-CB 3.12Å; K139-E143 PolarHBondContact O-N 3.09Å; L140-E143 PolarHBondContact O-N 3.02Å
144Y84.1Confident88.1Confident56 Ų5660.5 Ų60.522%0.2230%0.297CS..THydrogen-bonded Turntrans-94.20.1178.8-68.8-77.7000113.9K101 I104 L140 L142 I146K101-Y144 HydrophobicContact CG-CE2 4.41Å; I104-Y144 HydrophobicContact CD1-CD1 4.4Å; I104-Y144 HydrophobicContact CD1-CD2 3.75Å; I104-Y144 HydrophobicContact CD1-CE2 4.11Å; I104-Y144 HydrophobicContact CD1-CG 3.92Å; I104-Y144 HydrophobicContact CG2-CD1 3.71Å; I104-Y144 HydrophobicContact CG2-CE1 4.02Å; I104-Y144 HydrophobicContact CG2-CG 4.19Å; L140-Y144 HydrophobicContact CD1-CD2 4.01Å; L140-Y144 HydrophobicContact CD1-CE2 3.61Å; L140-Y144 HydrophobicContact CG-CD2 4.1Å; L140-Y144 HydrophobicContact CG-CE2 4.2Å; L140-Y144 VanDerWaalsContact O-CD2 3.3Å; L140-Y144 WeakPolarHBondContact O-CD2 3.43Å; L140-Y144 PolarHBondContact O-N 2.97Å; L140-Y144 VanDerWaalsContact O-N 3.16Å; L142-Y144 VanDerWaalsContact C-N 3.31Å; L142-Y144 PolarHBondContact O-N 3.09Å; Y144-I146 VanDerWaalsContact C-N 3.25Å; Y144-I146 PolarHBondContact O-N 3.36Å
145G84.3Confident87.8Confident71 Ų7158.1 Ų58.173%0.73230%0.297SS*.THydrogen-bonded Turntrans61.829.4-176.900000114.3A141 L142A141-G145 CarbonylContact O-C 3.58Å; A141-G145 WeakPolarHBondContact O-CA 3.4Å; A141-G145 PolarHBondContact O-N 3.01Å; L142-G145 PolarHBondContact O-N 2.94Å
146I89.3Confident87.5Confident18 Ų1857.3 Ų57.39%0.09229%0.292CS..  trans-105.7155.9-179.560.9-168.5000110.5I104 R117 V119 A141 Y144I104-I146 HydrophobicContact CD1-CD1 3.55Å; I104-I146 HydrophobicContact CG1-CD1 4.22Å; R117-I146 HydrophobicContact CB-CB 4.42Å; R117-I146 HydrophobicContact CB-CG2 3.77Å; V119-I146 HydrophobicContact CG2-CD1 3.26Å; V119-I146 HydrophobicContact CG2-CG1 3.87Å; A141-I146 CarbonylContact C-O 3.54Å; A141-I146 HydrophobicContact CB-CG1 4.18Å; A141-I146 VanDerWaalsContact CB-O 3.3Å; A141-I146 WeakPolarHBondContact CB-O 3.41Å; A141-I146 PolarHBondContact O-N 3.3Å; A141-I146 VanDerWaalsContact O-O 3.14Å; Y144-I146 VanDerWaalsContact C-N 3.25Å; Y144-I146 PolarHBondContact O-N 3.36Å
147K89.3Confident87.4Confident84 Ų8455.2 Ų55.237%0.36529%0.289SS..EExtended strand (participates in β ladder)trans-79.2148.7177-70-169-179.1-174.50111.4M118 V119 T165 D169M118-K147 CarbonylContact C-O 3.55Å; M118-K147 WeakPolarHBondContact CA-O 3.36Å; M118-K147 HydrophobicContact CE-CB 3.67Å; M118-K147 HydrophobicContact CE-CD 3.96Å; M118-K147 HydrophobicContact CE-CG 4.47Å; M118-K147 HydrophobicContact CG-CB 4.26Å; V119-K147 PolarHBondContact N-O 3.31Å; K147-T165 HydrophobicContact CD-CG2 4.31Å; K147-D169 VanDerWaalsContact CD-OD2 3.26Å; K147-D169 WeakPolarHBondContact CD-OD2 3.49Å; K147-D169 WeakPolarHBondContact CE-OD2 3.34Å; K147-D169 IonicContact NZ-OD1 2.69Å; K147-D169 PolarHBondContact NZ-OD1 3.05Å; K147-D169 IonicContact NZ-OD2 3.36Å; K147-D169 PolarHBondContact NZ-OD2 2.81Å
148F92.4Very high87.4Confident34 Ų3458 Ų5815%0.14930%0.304CS..EExtended strand (participates in β ladder)trans-125.5138.6176.2172-107.5000111.9Y89 V119 K134 E138 A141 E150Y89-F148 HydrophobicContact CE1-CD2 4.41Å; Y89-F148 AromaticContact CE1-CE2 3.76Å; Y89-F148 HydrophobicContact CE1-CE2 3.76Å; Y89-F148 AromaticContact CZ-CE2 3.84Å; Y89-F148 WeakPolarHBondContact OH-CE2 3.34Å; Y89-F148 WeakPolarHBondContact OH-CZ 3.44Å; V119-F148 HydrophobicContact CB-CD2 4.22Å; V119-F148 HydrophobicContact CG1-CD2 4.15Å; V119-F148 WeakPolarHBondContact O-CA 3.27Å; K134-F148 HydrophobicContact CG-CE1 3.83Å; E138-F148 HydrophobicContact CB-CD1 4.49Å; E138-F148 HydrophobicContact CG-CD1 3.53Å; E138-F148 HydrophobicContact CG-CE1 3.93Å; A141-F148 HydrophobicContact CB-CB 3.49Å; A141-F148 VanDerWaalsContact CB-CB 3.49Å; A141-F148 HydrophobicContact CB-CG 4.46Å; F148-E150 HydrophobicContact CE1-CG 3.88Å; F148-E150 HydrophobicContact CE2-CG 4.41Å; F148-E150 HydrophobicContact CZ-CG 3.5Å; F148-E150 VanDerWaalsContact CZ-CG 3.5Å
149M92.4Very high87.3Confident37 Ų3754 Ų5418%0.18229%0.285CS..EExtended strand (participates in β ladder)trans-146.1135.1174.2-170.2171.6-69.200110.6V119 L120 G121 T151 N158 N161 A162V119-M149 PolarHBondContact O-N 3.4Å; L120-M149 VanDerWaalsContact CA-O 3.24Å; L120-M149 WeakPolarHBondContact CA-O 3.3Å; L120-M149 HydrophobicContact CD2-CB 4Å; G121-M149 PolarHBondContact N-O 3.1Å; M149-T151 HydrophobicContact CG-CG2 4.41Å; M149-N158 HydrophobicContact CG-CB 4.05Å; M149-N158 HydrophobicContact SD-CB 3.87Å; M149-N161 HydrophobicContact SD-CB 4.09Å; M149-A162 HydrophobicContact SD-CB 3.82Å
150E91.3Very high87.1Confident26 Ų2652.1 Ų52.112%0.12128%0.278CS..EExtended strand (participates in β ladder)trans-85.5133.9170-65.5-165.515700110.1G121 C124 R130 K134 F148 N158G121-E150 CarbonylContact O-C 3.58Å; G121-E150 WeakPolarHBondContact O-CA 3.42Å; C124-E150 HydrophobicContact CB-CB 4.1Å; R130-E150 IonicContact CZ-OE1 2.65Å; R130-E150 IonicContact CZ-OE2 2.76Å; R130-E150 IonicContact NH1-OE1 2.75Å; R130-E150 PolarHBondContact NH1-OE1 3.41Å; R130-E150 IonicContact NH1-OE2 3.56Å; R130-E150 IonicContact NH2-OE1 2.82Å; R130-E150 PolarHBondContact NH2-OE1 2.95Å; R130-E150 IonicContact NH2-OE2 3.63Å; R130-E150 PolarHBondContact NH2-OE2 2.93Å; K134-E150 HydrophobicContact CG-CG 4.36Å; F148-E150 HydrophobicContact CE1-CG 3.88Å; F148-E150 HydrophobicContact CE2-CG 4.41Å; F148-E150 HydrophobicContact CZ-CG 3.5Å; F148-E150 VanDerWaalsContact CZ-CG 3.5Å; E150-N158 WeakPolarHBondContact O-CB 3.42Å; E150-N158 PolarHBondContact O-ND2 3.38Å
151T90.2Very high87.2Confident0 Ų055.7 Ų55.70%030%0.297CS..  trans-128.5155.9-178.563.70000111.2L120 G121 N122 K123 C124 M149 I157 N158 A162L120-T151 HydrophobicContact CD1-CG2 4.41Å; L120-T151 HydrophobicContact CD2-CG2 4Å; G121-T151 PolarHBondContact O-N 2.98Å; N122-T151 CarbonylContact C-O 3.47Å; N122-T151 VanDerWaalsContact CA-O 3.23Å; N122-T151 WeakPolarHBondContact CA-O 3.11Å; N122-T151 PolarHBondContact OD1-O 3.17Å; K123-T151 PolarHBondContact N-O 3.22Å; C124-T151 PolarHBondContact N-O 3.02Å; C124-T151 VanDerWaalsContact SG-C 3.5Å; C124-T151 PolarHBondContact SG-O 3.01Å; M149-T151 HydrophobicContact CG-CG2 4.41Å; T151-I157 CarbonylContact C-O 3.57Å; T151-I157 VanDerWaalsContact CA-O 3.28Å; T151-I157 WeakPolarHBondContact CA-O 3.4Å; T151-N158 HydrophobicContact CG2-CB 4.08Å; T151-A162 HydrophobicContact CG2-CB 4.16Å
152S87.6Confident87.4Confident0 Ų055.5 Ų55.50%030%0.295CS..BIsolated β-bridgetrans-134.3111.6166.41740000109.4C124 D125 K154 A155 N156 I157C124-S152 VanDerWaalsContact SG-CB 3.51Å; D125-S152 VanDerWaalsContact CG-OG 3.29Å; D125-S152 WeakPolarHBondContact OD1-CB 3.25Å; D125-S152 PolarHBondContact OD1-OG 2.79Å; S152-K154 PolarHBondContact O-N 3.14Å; S152-K154 PolarHBondContact OG-N 3.1Å; S152-A155 PolarHBondContact OG-N 2.83Å; S152-N156 CarbonylContact O-C 3.37Å; S152-N156 VanDerWaalsContact O-CA 3.26Å; S152-N156 WeakPolarHBondContact O-CA 3.43Å; S152-N156 PolarHBondContact O-N 2.83Å; S152-I157 PolarHBondContact N-O 3.43Å; S152-I157 PolarHBondContact O-N 3.46Å
153A83.4Confident87.4Confident5 Ų548.4 Ų48.44%0.04126%0.258CS..THydrogen-bonded Turntrans-61.2-29.1170.700000112.3C23 V24 R27 F33 N122C23-A153 HydrophobicContact CB-CB 3.76Å; V24-A153 HydrophobicContact CG2-CB 3.99Å; R27-A153 VanDerWaalsContact CZ-O 3.31Å; R27-A153 PolarHBondContact NE-O 3.16Å; R27-A153 PolarHBondContact NH2-O 2.68Å; F33-A153 WeakPolarHBondContact CD2-O 3.4Å; N122-A153 PolarHBondContact OD1-N 3.04Å
154K79.9Confident87.5Confident138 Ų13844 Ų4460%0.624%0.239SC*.THydrogen-bonded Turntrans-78.4-45.8-178.1-173.1-179.3176.5-1720112.4R27 F33 D125 S152 N156R27-K154 PolarHBondContact NH2-O 3.19Å; F33-K154 HydrophobicContact CE2-CB 4.35Å; F33-K154 HydrophobicContact CZ-CB 4.4Å; F33-K154 HydrophobicContact CZ-CG 4.26Å; D125-K154 WeakPolarHBondContact OD2-CD 3.3Å; S152-K154 PolarHBondContact O-N 3.14Å; S152-K154 PolarHBondContact OG-N 3.1Å; K154-N156 VanDerWaalsContact C-N 3.35Å
155A81.3Confident87.8Confident53 Ų5342.8 Ų42.844%0.43824%0.237SC..THydrogen-bonded Turntrans-90.20.8179.300000113.4D125 S152 I157D125-A155 HydrophobicContact CB-CB 4.26Å; S152-A155 PolarHBondContact OG-N 2.83Å; A155-I157 HydrophobicContact CB-CD1 3.58Å; A155-I157 HydrophobicContact CB-CG1 3.69Å; A155-I157 PolarHBondContact O-N 3Å
156N82.6Confident88.1Confident63 Ų6339.4 Ų39.434%0.33720%0.202SC..THydrogen-bonded Turntrans54.435.8-173-159.717.9000113.4R27 S152 K154R27-N156 WeakPolarHBondContact CD-OD1 3.47Å; R27-N156 HydrophobicContact CG-CB 4.39Å; R27-N156 WeakPolarHBondContact CG-OD1 3.48Å; S152-N156 CarbonylContact O-C 3.37Å; S152-N156 VanDerWaalsContact O-CA 3.26Å; S152-N156 WeakPolarHBondContact O-CA 3.43Å; S152-N156 PolarHBondContact O-N 2.83Å; K154-N156 VanDerWaalsContact C-N 3.35Å
157I86.8Confident88.2Confident74 Ų7438.6 Ų38.638%0.37920%0.198SC..BIsolated β-bridgetrans-90.1125-178.5-60.6171.3000108.3T151 S152 A155 V159T151-I157 CarbonylContact C-O 3.57Å; T151-I157 VanDerWaalsContact CA-O 3.28Å; T151-I157 WeakPolarHBondContact CA-O 3.4Å; S152-I157 PolarHBondContact N-O 3.43Å; S152-I157 PolarHBondContact O-N 3.46Å; A155-I157 HydrophobicContact CB-CD1 3.58Å; A155-I157 HydrophobicContact CB-CG1 3.69Å; A155-I157 PolarHBondContact O-N 3Å; I157-V159 PolarHBondContact O-N 2.78Å
158N87.1Confident88.2Confident60 Ų6040.2 Ų40.232%0.32120%0.202SC..SBendtrans57.38.9173.4-71.3-26.3000117M149 E150 T151 N161 A162M149-N158 HydrophobicContact CG-CB 4.05Å; M149-N158 HydrophobicContact SD-CB 3.87Å; E150-N158 WeakPolarHBondContact O-CB 3.42Å; E150-N158 PolarHBondContact O-ND2 3.38Å; T151-N158 HydrophobicContact CG2-CB 4.08Å; N158-N161 PolarHBondContact OD1-ND2 2.73Å; N158-A162 WeakPolarHBondContact O-CB 3.45Å; N158-A162 PolarHBondContact O-N 3.4Å
159V87.3Confident88.1Confident1 Ų140.1 Ų40.11%0.00620%0.203CC..Hα-helixtrans-62.7-56.6177.7173.20000109.9V24 R27 F28 I157 N161 A162 F163V24-V159 HydrophobicContact CG1-CG1 4.06Å; R27-V159 HydrophobicContact CB-CG1 4.32Å; R27-V159 HydrophobicContact CG-CB 4.39Å; R27-V159 HydrophobicContact CG-CG1 4.16Å; R27-V159 HydrophobicContact CG-CG2 4.29Å; F28-V159 HydrophobicContact CB-CG1 3.97Å; I157-V159 PolarHBondContact O-N 2.78Å; V159-N161 PolarHBondContact O-N 3.47Å; V159-A162 WeakPolarHBondContact O-CB 3.47Å; V159-A162 PolarHBondContact O-N 3.06Å; V159-F163 HydrophobicContact CG1-CD2 4.4Å; V159-F163 HydrophobicContact CG1-CE2 4.13Å; V159-F163 WeakPolarHBondContact O-CD2 3.44Å; V159-F163 PolarHBondContact O-N 3.47Å
160E87.7Confident87.9Confident83 Ų8338.7 Ų38.739%0.38820%0.196SC..Hα-helixtrans-63.1-42.8178.6-177.7163.7-128.600112.2F28 R49 A162 F163 L164F28-E160 HydrophobicContact CE2-CG 4.36Å; R49-E160 IonicContact CZ-OE1 2.9Å; R49-E160 IonicContact NH1-OE1 2.7Å; R49-E160 IonicContact NH2-OE1 3.33Å; R49-E160 PolarHBondContact NH2-OE1 3.45Å; E160-A162 VanDerWaalsContact C-N 3.25Å; E160-A162 PolarHBondContact O-N 3.14Å; E160-F163 PolarHBondContact O-N 2.64Å; E160-L164 HydrophobicContact CG-CD1 3.75Å; E160-L164 HydrophobicContact CG-CG 4.08Å; E160-L164 WeakPolarHBondContact O-CB 3.29Å; E160-L164 WeakPolarHBondContact O-CG 3.41Å; E160-L164 PolarHBondContact O-N 2.96Å
161N89.5Confident87.8Confident81 Ų8138.4 Ų38.443%0.43319%0.194SC..Hα-helixtrans-57.2-38177.4-70.2-28.1000112.5M149 N158 V159 T165M149-N161 HydrophobicContact SD-CB 4.09Å; N158-N161 PolarHBondContact OD1-ND2 2.73Å; V159-N161 PolarHBondContact O-N 3.47Å; N161-T165 WeakPolarHBondContact O-CB 3.33Å; N161-T165 PolarHBondContact O-N 2.82Å; N161-T165 PolarHBondContact O-OG1 3.34Å
162A91.3Very high87.6Confident0 Ų040.5 Ų40.50%021%0.212CC..Hα-helixtrans-63.6-49.417800000111.8M86 M118 L120 M149 T151 N158 V159 E160 T165 L166M86-A162 HydrophobicContact CE-CB 3.73Å; M118-A162 HydrophobicContact SD-CB 4.27Å; L120-A162 HydrophobicContact CD1-CB 4.24Å; L120-A162 HydrophobicContact CD2-CB 3.63Å; M149-A162 HydrophobicContact SD-CB 3.82Å; T151-A162 HydrophobicContact CG2-CB 4.16Å; N158-A162 WeakPolarHBondContact O-CB 3.45Å; N158-A162 PolarHBondContact O-N 3.4Å; V159-A162 WeakPolarHBondContact O-CB 3.47Å; V159-A162 PolarHBondContact O-N 3.06Å; E160-A162 VanDerWaalsContact C-N 3.25Å; E160-A162 PolarHBondContact O-N 3.14Å; A162-T165 PolarHBondContact O-N 3.18Å; A162-L166 WeakPolarHBondContact O-CB 3.22Å; A162-L166 PolarHBondContact O-N 3.36Å
163F89.7Confident87.5Confident0 Ų043.5 Ų43.50%023%0.225CC..Hα-helixtrans-65.3-41.7178.1-72.5-79.6000112.3L11 L13 V24 F28 I62 M86 V159 E160 A167L11-F163 HydrophobicContact CD1-CD1 3.96Å; L13-F163 HydrophobicContact CD1-CZ 4.37Å; L13-F163 HydrophobicContact CD2-CE1 4.46Å; L13-F163 HydrophobicContact CD2-CZ 4.27Å; V24-F163 HydrophobicContact CG1-CE2 3.78Å; V24-F163 HydrophobicContact CG1-CZ 4.06Å; F28-F163 HydrophobicContact CB-CD2 3.93Å; F28-F163 HydrophobicContact CB-CE2 3.65Å; F28-F163 HydrophobicContact CB-CZ 4.35Å; F28-F163 HydrophobicContact CD1-CD1 4.39Å; F28-F163 HydrophobicContact CD1-CD2 4.03Å; F28-F163 HydrophobicContact CD1-CE2 4.18Å; F28-F163 HydrophobicContact CD1-CG 4.16Å; F28-F163 HydrophobicContact CD1-CZ 4.43Å; F28-F163 HydrophobicContact CD2-CB 4.01Å; F28-F163 AromaticContact CD2-CD2 3.31Å; F28-F163 HydrophobicContact CD2-CD2 3.31Å; F28-F163 AromaticContact CD2-CE2 3.97Å; F28-F163 HydrophobicContact CD2-CE2 3.97Å; F28-F163 AromaticContact CD2-CG 3.81Å; F28-F163 HydrophobicContact CD2-CG 3.81Å; F28-F163 HydrophobicContact CE1-CB 4.3Å; F28-F163 HydrophobicContact CE1-CD1 4.3Å; F28-F163 HydrophobicContact CE1-CD2 4.38Å; F28-F163 HydrophobicContact CE1-CG 4.09Å; F28-F163 HydrophobicContact CE2-CB 3.47Å; F28-F163 VanDerWaalsContact CE2-CB 3.47Å; F28-F163 AromaticContact CE2-CD2 3.74Å; F28-F163 HydrophobicContact CE2-CD2 3.74Å; F28-F163 AromaticContact CE2-CG 3.75Å; F28-F163 HydrophobicContact CE2-CG 3.75Å; F28-F163 AromaticContact CG-CD2 3.47Å; F28-F163 HydrophobicContact CG-CD2 3.47Å; F28-F163 VanDerWaalsContact CG-CD2 3.47Å; F28-F163 AromaticContact CG-CE2 3.66Å; F28-F163 HydrophobicContact CG-CE2 3.66Å; F28-F163 HydrophobicContact CG-CG 4.02Å; F28-F163 HydrophobicContact CG-CZ 4.33Å; F28-F163 HydrophobicContact CZ-CB 3.64Å; F28-F163 HydrophobicContact CZ-CD1 4.47Å; F28-F163 HydrophobicContact CZ-CD2 4.26Å; F28-F163 AromaticContact CZ-CG 3.9Å; F28-F163 HydrophobicContact CZ-CG 3.9Å; I62-F163 HydrophobicContact CD1-CD1 3.95Å; I62-F163 HydrophobicContact CD1-CE1 3.67Å; I62-F163 HydrophobicContact CD1-CZ 4.35Å; I62-F163 HydrophobicContact CG1-CE1 4.23Å; I62-F163 HydrophobicContact CG2-CE1 4.26Å; M86-F163 HydrophobicContact CE-CD1 4.19Å; M86-F163 HydrophobicContact CE-CE1 4.32Å; M86-F163 HydrophobicContact CE-CG 4.34Å; M86-F163 HydrophobicContact SD-CD1 3.57Å; M86-F163 VanDerWaalsContact SD-CD1 3.57Å; M86-F163 HydrophobicContact SD-CE1 3.42Å; M86-F163 WeakPolarHBondContact SD-CE1 3.47Å; M86-F163 HydrophobicContact SD-CG 4.3Å; M86-F163 HydrophobicContact SD-CZ 4.05Å; V159-F163 HydrophobicContact CG1-CD2 4.4Å; V159-F163 HydrophobicContact CG1-CE2 4.13Å; V159-F163 WeakPolarHBondContact O-CD2 3.44Å; V159-F163 PolarHBondContact O-N 3.47Å; E160-F163 PolarHBondContact O-N 2.64Å; F163-A167 VanDerWaalsContact O-CB 3.31Å; F163-A167 WeakPolarHBondContact O-CB 3.25Å; F163-A167 PolarHBondContact O-N 3.08Å
164L89.8Confident87.5Confident41 Ų4145.4 Ų45.422%0.21523%0.233CC..Hα-helixtrans-64.4-41.8176.9-70.4178.2000112.1I51 E160 A167 R168I51-L164 HydrophobicContact CB-CD2 4.31Å; I51-L164 HydrophobicContact CD1-CD2 3.67Å; I51-L164 HydrophobicContact CG2-CD2 4.34Å; E160-L164 HydrophobicContact CG-CD1 3.75Å; E160-L164 HydrophobicContact CG-CG 4.08Å; E160-L164 WeakPolarHBondContact O-CB 3.29Å; E160-L164 WeakPolarHBondContact O-CG 3.41Å; E160-L164 PolarHBondContact O-N 2.96Å; L164-A167 PolarHBondContact O-N 3.31Å; L164-R168 WeakPolarHBondContact O-CB 3.49Å; L164-R168 PolarHBondContact O-N 2.71Å
165T91.1Very high87.6Confident29 Ų2940.7 Ų40.718%0.17822%0.215CC..Hα-helixtrans-64-47.8178.7-59.80000110.5M118 K147 N161 A162 A167 R168 D169M118-T165 HydrophobicContact CE-CG2 3.69Å; K147-T165 HydrophobicContact CD-CG2 4.31Å; N161-T165 WeakPolarHBondContact O-CB 3.33Å; N161-T165 PolarHBondContact O-N 2.82Å; N161-T165 PolarHBondContact O-OG1 3.34Å; A162-T165 PolarHBondContact O-N 3.18Å; T165-A167 VanDerWaalsContact C-N 3.34Å; T165-A167 PolarHBondContact O-N 3.1Å; T165-R168 WeakPolarHBondContact O-CB 3.32Å; T165-R168 PolarHBondContact O-N 3.28Å; T165-D169 VanDerWaalsContact O-CG 3.25Å; T165-D169 PolarHBondContact O-N 2.99Å
166L90.9Very high87.6Confident1 Ų145.5 Ų45.51%0.00523%0.226CC..Hα-helixtrans-61.9-42.3177.1-177.162.1000111.9L11 M86 E116 M118 A162 R168 D169 I170L11-L166 HydrophobicContact CD1-CD2 4.44Å; L11-L166 HydrophobicContact CD2-CD2 3.79Å; L11-L166 HydrophobicContact CD2-CG 4.21Å; M86-L166 HydrophobicContact CE-CD2 4.36Å; M86-L166 HydrophobicContact CG-CD2 3.27Å; M86-L166 HydrophobicContact SD-CD2 3.77Å; E116-L166 HydrophobicContact CB-CD1 3.86Å; E116-L166 HydrophobicContact CG-CD1 3.76Å; M118-L166 HydrophobicContact CB-CD1 4.39Å; A162-L166 WeakPolarHBondContact O-CB 3.22Å; A162-L166 PolarHBondContact O-N 3.36Å; L166-R168 VanDerWaalsContact C-N 3.33Å; L166-R168 PolarHBondContact O-N 3.15Å; L166-D169 PolarHBondContact O-N 3.41Å; L166-I170 HydrophobicContact CD1-CD1 4.23Å; L166-I170 HydrophobicContact CD1-CG1 4.44Å; L166-I170 HydrophobicContact CG-CD1 3.92Å; L166-I170 WeakPolarHBondContact O-CD1 3.36Å; L166-I170 VanDerWaalsContact O-CG1 3.26Å; L166-I170 WeakPolarHBondContact O-CG1 3.21Å; L166-I170 PolarHBondContact O-N 3.32Å
167A89.8Confident87.2Confident0 Ų046.8 Ų46.80%023%0.228CC..Hα-helixtrans-61.8-41.3175.600000112F9 I51 L53 L60 F163 L164 T165 D169 I170 K171F9-A167 HydrophobicContact CD2-CB 4.06Å; F9-A167 HydrophobicContact CE2-CB 4.17Å; F9-A167 VanDerWaalsContact CE2-O 3.24Å; F9-A167 WeakPolarHBondContact CE2-O 3.37Å; I51-A167 HydrophobicContact CD1-CB 3.75Å; L53-A167 HydrophobicContact CD1-CB 4.14Å; L60-A167 HydrophobicContact CD2-CB 4.07Å; F163-A167 VanDerWaalsContact O-CB 3.31Å; F163-A167 WeakPolarHBondContact O-CB 3.25Å; F163-A167 PolarHBondContact O-N 3.08Å; L164-A167 PolarHBondContact O-N 3.31Å; T165-A167 VanDerWaalsContact C-N 3.34Å; T165-A167 PolarHBondContact O-N 3.1Å; A167-D169 VanDerWaalsContact C-N 3.34Å; A167-D169 PolarHBondContact O-N 3.01Å; A167-I170 PolarHBondContact O-N 3.06Å; A167-K171 WeakPolarHBondContact O-CB 3.19Å; A167-K171 PolarHBondContact O-N 3.1Å
168R90.5Very high86.3Confident118 Ų11848.6 Ų48.645%0.44524%0.238SC..Hα-helixtrans-61.2-43.5175.6-171.1179.8-67.8114.3-2.4111.6L53 L164 T165 L166 K171 A172L53-R168 HydrophobicContact CD1-CB 4.09Å; L53-R168 HydrophobicContact CD2-CB 4.36Å; L53-R168 HydrophobicContact CD2-CG 4.27Å; L164-R168 WeakPolarHBondContact O-CB 3.49Å; L164-R168 PolarHBondContact O-N 2.71Å; T165-R168 WeakPolarHBondContact O-CB 3.32Å; T165-R168 PolarHBondContact O-N 3.28Å; L166-R168 VanDerWaalsContact C-N 3.33Å; L166-R168 PolarHBondContact O-N 3.15Å; R168-K171 PolarHBondContact O-N 3.31Å; R168-A172 WeakPolarHBondContact O-CB 3.45Å; R168-A172 PolarHBondContact O-N 3.41Å
169D89.5Confident85.2Confident32 Ų3252.9 Ų52.917%0.17126%0.256CS..Hα-helixtrans-66.1-44.2-180-65.2-33.1000111.8E116 K147 T165 L166 A167 K171 A172 K173E116-D169 HydrophobicContact CG-CB 3.85Å; K147-D169 VanDerWaalsContact CD-OD2 3.26Å; K147-D169 WeakPolarHBondContact CD-OD2 3.49Å; K147-D169 WeakPolarHBondContact CE-OD2 3.34Å; K147-D169 IonicContact NZ-OD1 2.69Å; K147-D169 PolarHBondContact NZ-OD1 3.05Å; K147-D169 IonicContact NZ-OD2 3.36Å; K147-D169 PolarHBondContact NZ-OD2 2.81Å; T165-D169 VanDerWaalsContact O-CG 3.25Å; T165-D169 PolarHBondContact O-N 2.99Å; L166-D169 PolarHBondContact O-N 3.41Å; A167-D169 VanDerWaalsContact C-N 3.34Å; A167-D169 PolarHBondContact O-N 3.01Å; D169-K171 VanDerWaalsContact C-N 3.33Å; D169-K171 PolarHBondContact O-N 3.25Å; D169-A172 PolarHBondContact O-N 3.32Å; D169-K173 WeakPolarHBondContact O-CB 3.42Å; D169-K173 PolarHBondContact O-N 3.12Å
170I89Confident83.8Confident7 Ų755.8 Ų55.84%0.03629%0.287CS..Hα-helixtrans-59.3-45.9174.7-69.6166000110.5F9 L11 M83 E116 L166 A167 K173 M174F9-I170 HydrophobicContact CD1-CG2 3.94Å; F9-I170 HydrophobicContact CD2-CB 4.25Å; F9-I170 HydrophobicContact CD2-CG2 3.9Å; F9-I170 HydrophobicContact CE1-CG2 4.06Å; F9-I170 HydrophobicContact CE2-CB 4.21Å; F9-I170 HydrophobicContact CE2-CG2 3.96Å; F9-I170 HydrophobicContact CG-CG2 3.91Å; F9-I170 HydrophobicContact CZ-CG2 4.05Å; L11-I170 HydrophobicContact CD2-CD1 3.47Å; L11-I170 VanDerWaalsContact CD2-CD1 3.47Å; M83-I170 HydrophobicContact CB-CD1 4.36Å; M83-I170 HydrophobicContact CB-CG2 4.12Å; M83-I170 HydrophobicContact CE-CG2 3.93Å; E116-I170 HydrophobicContact CB-CG1 3.71Å; E116-I170 HydrophobicContact CG-CG1 4.42Å; L166-I170 HydrophobicContact CD1-CD1 4.23Å; L166-I170 HydrophobicContact CD1-CG1 4.44Å; L166-I170 HydrophobicContact CG-CD1 3.92Å; L166-I170 WeakPolarHBondContact O-CD1 3.36Å; L166-I170 VanDerWaalsContact O-CG1 3.26Å; L166-I170 WeakPolarHBondContact O-CG1 3.21Å; L166-I170 PolarHBondContact O-N 3.32Å; A167-I170 PolarHBondContact O-N 3.06Å; I170-K173 PolarHBondContact O-N 2.66Å; I170-M174 HydrophobicContact CG2-CE 3.42Å; I170-M174 VanDerWaalsContact CG2-CE 3.42Å; I170-M174 WeakPolarHBondContact O-CE 3.43Å; I170-M174 PolarHBondContact O-N 2.77Å
171K87.9Confident81.9Confident20 Ų2058.4 Ų58.49%0.08730%0.303CS..Hα-helixtrans-59.2-51.3175.8178.9177.2171.1-77.80111.1F9 L53 D54 I58 A167 R168 D169 K173 M174 D175F9-K171 HydrophobicContact CE2-CB 4.2Å; F9-K171 HydrophobicContact CZ-CB 3.93Å; L53-K171 HydrophobicContact CD2-CD 4.03Å; D54-K171 IonicContact OD2-NZ 3.29Å; D54-K171 PolarHBondContact OD2-NZ 2.69Å; I58-K171 HydrophobicContact CD1-CD 4.15Å; A167-K171 WeakPolarHBondContact O-CB 3.19Å; A167-K171 PolarHBondContact O-N 3.1Å; R168-K171 PolarHBondContact O-N 3.31Å; D169-K171 VanDerWaalsContact C-N 3.33Å; D169-K171 PolarHBondContact O-N 3.25Å; K171-K173 VanDerWaalsContact C-N 3.27Å; K171-K173 PolarHBondContact O-N 3.1Å; K171-M174 PolarHBondContact O-N 3.5Å; K171-M174 VanDerWaalsContact O-N 3.11Å; K171-D175 IonicContact NZ-OD2 3.79Å; K171-D175 PolarHBondContact NZ-OD2 3.29Å; K171-D175 PolarHBondContact O-N 3.04Å
172A87.4Confident79.6Confident45 Ų4559.1 Ų59.137%0.37231%0.307SS..Hα-helixtrans-59.4-38.3179.900000112.2R168 D169 K176R168-A172 WeakPolarHBondContact O-CB 3.45Å; R168-A172 PolarHBondContact O-N 3.41Å; D169-A172 PolarHBondContact O-N 3.32Å; A172-K176 WeakPolarHBondContact O-CG 3.39Å; A172-K176 PolarHBondContact O-N 3.42Å
173K85.1Confident77.4Confident63 Ų6365.2 Ų65.227%0.27435%0.347SS..Hα-helixtrans-67.5-39.6176-165.9176.3-165167.80112.2D114 E116 D169 I170 K171 K177D114-K173 VanDerWaalsContact O-CE 3.23Å; D114-K173 WeakPolarHBondContact O-CE 3.05Å; D114-K173 PolarHBondContact O-NZ 3.21Å; E116-K173 IonicContact OE2-NZ 2.68Å; E116-K173 PolarHBondContact OE2-NZ 3.21Å; D169-K173 WeakPolarHBondContact O-CB 3.42Å; D169-K173 PolarHBondContact O-N 3.12Å; I170-K173 PolarHBondContact O-N 2.66Å; K171-K173 VanDerWaalsContact C-N 3.27Å; K171-K173 PolarHBondContact O-N 3.1Å; K173-K177 WeakPolarHBondContact O-CG 3.4Å; K173-K177 PolarHBondContact O-N 3.06Å; K173-K177 VanDerWaalsContact O-N 3.11Å
174M83.3Confident75.2Confident44 Ų4472.2 Ų72.222%0.21738%0.38CS..Hα-helixtrans-68.5-42.8174.2-88.8-174.9-70.300113Y7 F9 M83 I170 K171 K176 K177 L178Y7-M174 HydrophobicContact CD1-CE 4.44Å; F9-M174 HydrophobicContact CD1-CE 3.7Å; F9-M174 HydrophobicContact CE1-CE 3.01Å; F9-M174 HydrophobicContact CE1-SD 4.35Å; F9-M174 HydrophobicContact CZ-CE 3.51Å; M83-M174 HydrophobicContact CE-CE 3.3Å; M83-M174 HydrophobicContact CE-CG 4.39Å; M83-M174 HydrophobicContact CE-SD 3.27Å; M83-M174 WeakPolarHBondContact CE-SD 3.12Å; I170-M174 HydrophobicContact CG2-CE 3.42Å; I170-M174 VanDerWaalsContact CG2-CE 3.42Å; I170-M174 WeakPolarHBondContact O-CE 3.43Å; I170-M174 PolarHBondContact O-N 2.77Å; K171-M174 PolarHBondContact O-N 3.5Å; K171-M174 VanDerWaalsContact O-N 3.11Å; M174-K176 VanDerWaalsContact C-N 3.31Å; M174-K176 PolarHBondContact O-N 3.31Å; M174-K177 PolarHBondContact O-N 3.17Å; M174-K177 VanDerWaalsContact O-N 3.13Å; M174-L178 WeakPolarHBondContact O-CG 3.21Å; M174-L178 PolarHBondContact O-N 2.76Å
175D82.8Confident72.9Confident39 Ų3974.6 Ų74.621%0.20940%0.4CS..Hα-helixtrans-59.7-45.1177.6-70.4-20.3000109.6Y7 K171 K177 L178 E179Y7-D175 PolarHBondContact OH-OD1 3.32Å; K171-D175 IonicContact NZ-OD2 3.79Å; K171-D175 PolarHBondContact NZ-OD2 3.29Å; K171-D175 PolarHBondContact O-N 3.04Å; D175-K177 VanDerWaalsContact C-N 3.35Å; D175-K177 PolarHBondContact O-N 3.19Å; D175-L178 PolarHBondContact O-N 3.09Å; D175-E179 WeakPolarHBondContact O-CG 3.46Å; D175-E179 PolarHBondContact O-N 2.77Å
176K80.4Confident70.3Confident154 Ų15478.9 Ų78.967%0.6743%0.431SS*.Hα-helixtrans-59.7-38.7173.1-76.3-179.1179.4-1770113.9A172 M174 E179 G180A172-K176 WeakPolarHBondContact O-CG 3.39Å; A172-K176 PolarHBondContact O-N 3.42Å; M174-K176 VanDerWaalsContact C-N 3.31Å; M174-K176 PolarHBondContact O-N 3.31Å; K176-E179 PolarHBondContact O-N 3.09Å; K176-G180 PolarHBondContact O-N 2.83Å
177K75.3Confident68Low90 Ų9086 Ų8639%0.39147%0.469SS..Hα-helixtrans-69-35.5176.9-81.5-173.8169.6-148.90112.6D114 K173 M174 D175 G180 N181D114-K177 VanDerWaalsContact OD1-CE 3.23Å; D114-K177 WeakPolarHBondContact OD1-CE 3.28Å; D114-K177 IonicContact OD1-NZ 3.46Å; D114-K177 PolarHBondContact OD1-NZ 2.92Å; D114-K177 IonicContact OD2-NZ 2.69Å; D114-K177 PolarHBondContact OD2-NZ 2.73Å; K173-K177 WeakPolarHBondContact O-CG 3.4Å; K173-K177 PolarHBondContact O-N 3.06Å; K173-K177 VanDerWaalsContact O-N 3.11Å; M174-K177 PolarHBondContact O-N 3.17Å; M174-K177 VanDerWaalsContact O-N 3.13Å; D175-K177 VanDerWaalsContact C-N 3.35Å; D175-K177 PolarHBondContact O-N 3.19Å; K177-G180 PolarHBondContact O-N 3Å; K177-N181 WeakPolarHBondContact O-CB 3.27Å; K177-N181 PolarHBondContact O-N 3.45Å; K177-N181 VanDerWaalsContact O-N 3.12Å
178L67.2Low65.7Low112 Ų11291.7 Ų91.759%0.58651%0.506SS*.Hα-helixtrans-69.1-38.4175.9-71.4166000110.9M174 D175M174-L178 WeakPolarHBondContact O-CG 3.21Å; M174-L178 PolarHBondContact O-N 2.76Å; D175-L178 PolarHBondContact O-N 3.09Å
179E64.3Low63.1Low150 Ų15089.2 Ų89.270%0.70152%0.517SS*.Hα-helixtrans-68.1-37.5173.9-70.1175.3171.300112.4D175 K176D175-E179 WeakPolarHBondContact O-CG 3.46Å; D175-E179 PolarHBondContact O-N 2.77Å; K176-E179 PolarHBondContact O-N 3.09Å
180G56.8Low60.8Low63 Ų6393.6 Ų93.665%0.64955%0.545SS*.Hα-helixtrans-75.8-17177.700000115.6K176 K177K176-G180 PolarHBondContact O-N 2.83Å; K177-G180 PolarHBondContact O-N 3Å
181N47.7Very low58.3Low137 Ų137102.9 Ų102.973%0.73359%0.585SS**THydrogen-bonded Turntrans-97.610.4178.5-91.4-14.8000113.9K177 P183K177-N181 WeakPolarHBondContact O-CB 3.27Å; K177-N181 PolarHBondContact O-N 3.45Å; K177-N181 VanDerWaalsContact O-N 3.12Å; N181-P183 WeakPolarHBondContact O-CD 3.43Å
182N41.2Very low56.1Low97 Ų97109.1 Ų109.152%0.51962%0.618SS.*  trans-82.6107.6163.1-110.3-3.2000108.6Q184N182-Q184 HydrophobicContact CB-CB 4.43Å; N182-Q184 HydrophobicContact CB-CG 4.47Å; N182-Q184 PolarHBondContact O-N 3.27Å
183P46.1Very low53.6Low128 Ų128111.9 Ų111.983%0.83163%0.634SS**  trans-72.966.7157.532.9-32.7000107.9N181 S185N181-P183 WeakPolarHBondContact O-CD 3.43Å; P183-S185 PolarHBondContact O-N 3.49Å
184Q42.5Very low51.3Low146 Ų146117.8 Ų117.868%0.68266%0.663SS**  trans-89.194.8167.5-90.5-172.6-15.500108.9N182N182-Q184 HydrophobicContact CB-CB 4.43Å; N182-Q184 HydrophobicContact CB-CG 4.47Å; N182-Q184 PolarHBondContact O-N 3.27Å
185S42.7Very low48.9Very low92 Ų92124.2 Ų124.264%0.64369%0.692SS**  53.182.6127.261.10000116.3P183 N187P183-S185 PolarHBondContact O-N 3.49Å; S185-N187 PolarHBondContact O-N 3.39Å
186S36.3Very low46.6Very low118 Ų118128.2 Ų128.283%0.82572%0.72SS**  trans-73.869.5148.459.50000109.4
187N41.9Very low44.3Very low151 Ų151130.7 Ų130.781%0.80773%0.731SS**  trans-107.298.2154.7-107.80.4000106.5S185 G189S185-N187 PolarHBondContact O-N 3.39Å; N187-G189 PolarHBondContact O-N 3.38Å
188P41.9Very low42.3Very low119 Ų119136.6 Ų136.677%0.77376%0.757SS**  trans-73.6117156.75.611.5000106.8V190P188-V190 PolarHBondContact O-N 2.94Å
189G35.8Very low40.6Very low66 Ų66136.6 Ų136.668%0.6877%0.766SS**  trans-48.5132.4175.100000112.8N187 K191N187-G189 PolarHBondContact O-N 3.38Å; G189-K191 PolarHBondContact O-N 3.05Å
190V41.8Very low39.1Very low125 Ų125134.5 Ų134.576%0.75877%0.768SS**  trans3.8101.8147-171.30000114.6P188 I192P188-V190 PolarHBondContact O-N 2.94Å; V190-I192 HydrophobicContact CG1-CG1 3.68Å; V190-I192 PolarHBondContact O-N 2.88Å
191K36.8Very low38Very low202 Ų202140.2 Ų140.288%0.87878%0.775SS**  trans-82102.7150.3-81.2-174.5177.2179.90107.6G189 S193G189-K191 PolarHBondContact O-N 3.05Å; K191-S193 PolarHBondContact O-N 3.06Å; K191-S193 VanDerWaalsContact O-N 3.09Å
192I40.3Very low37.3Very low151 Ų151141.9 Ų141.977%0.77478%0.777SS**  trans-63.3107.7162.5-58.8178.8000105.8V190V190-I192 HydrophobicContact CG1-CG1 3.68Å; V190-I192 PolarHBondContact O-N 2.88Å
193S35.8Very low37Very low102 Ų102147.4 Ų147.471%0.71379%0.79SS**PPolyproline II helixtrans-101.6118.1161.750.30000106.8K191 Q195K191-S193 PolarHBondContact O-N 3.06Å; K191-S193 VanDerWaalsContact O-N 3.09Å; S193-Q195 PolarHBondContact O-N 3.15Å
194E35.4Very low36.4Very low188 Ų188147 Ų14788%0.87979%0.789SS**PPolyproline II helixtrans-57.4121.1173.9-68.7175.6138.600109.5
195Q33.8Very low36.1Very low178 Ų178145.6 Ų145.683%0.83279%0.791SS**PPolyproline II helixtrans-92.4132.8162.3-75.5-166.3-8.400109.1S193 K197S193-Q195 PolarHBondContact O-N 3.15Å; Q195-K197 PolarHBondContact O-N 3.11Å
196P35.1Very low35.8Very low123 Ų123148.5 Ų148.580%0.79980%0.798SS**PPolyproline II helixtrans-72.5130174.729.5-30.2000109.9K198P196-K198 PolarHBondContact O-N 2.73Å
197K32.1Very low36.1Very low206 Ų206154.6 Ų154.690%0.89682%0.82SS**PPolyproline II helixtrans-52.9127.5172.1-70.7174175.7174.40111Q195Q195-K197 PolarHBondContact O-N 3.11Å
198K32.9Very low35.8Very low214 Ų214154.8 Ų154.893%0.9382%0.821SS**  trans-113.8110.1149.9-80.4-170.3177.4-178.80108.8P196P196-K198 PolarHBondContact O-N 2.73Å
199S31.2Very low35.5Very low112 Ų112156.6 Ų156.678%0.78382%0.823SS**  trans-91.8137.4168.363.50000110.3
200S32.4Very low35.5Very low107 Ų107161.7 Ų161.775%0.74883%0.831SS**  trans168.196.5144.5172.20000107.2
201F33.3Very low35.1Very low182 Ų182163.8 Ų163.880%0.79884%0.835SS**  57.3137.287.6-96.1-88000116.6
202F34.3Very low35Very low173 Ų173161.4 Ų161.476%0.75983%0.833SS**  trans89.9134.2173.8-67.7-84.2000117
203R34.5Very low34.7Very low212 Ų212162.1 Ų162.180%0.884%0.837SS**  cis-167.9147.6-13.2-152-176.2-172.8167.9-4.7106.5
204C34.1Very low34.6Very low120 Ų120166.4 Ų166.481%0.81185%0.845SS**  trans-75.6135.2165.1-177.60000110.2
205T34.9Very low34.5Very low117 Ų117164.8 Ų164.872%0.71884%0.843SS**  trans-159.8142149.5-36.90000111.9
206L37.2Very low34.6Very low152 Ų152163.7 Ų163.780%0.79684%0.844SS**  trans-49.5152.5175.9-73.285.7000115.7
207L42.9Very low34.5Very low246 Ų246167.4 Ų167.4100%1.28885%0.848SS**  -156.40120.6-105.6155.4000109.8

Retrieved 207 of 207 residues in 313.8 ms (Link to these results)

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