A0A077ZF02_TRITR Loading...

Headcase protein

AlphaFold DB , UniProt , Accession A0A077ZF02, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 211 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
1M39.4Very low59.8Low240 Ų24089.6 Ų89.6100%1.18255%0.55SS*.  01200-68.6-179.6-170.900108.4T3M1-T3 PolarHBondContact O-N 3.14Å
2L46.5Very low62.3Low123 Ų12385.3 Ų85.364%0.64452%0.52SS*.  trans-65.7126.5170.2-80.5146.1000107.6V6 Q7L2-V6 HydrophobicContact CD2-CB 3.93Å; L2-V6 HydrophobicContact CD2-CG1 3.49Å; L2-V6 VanDerWaalsContact CD2-CG1 3.49Å; L2-V6 HydrophobicContact CD2-CG2 4.41Å; L2-Q7 HydrophobicContact CB-CG 4.34Å
3T62.4Low64.7Low59 Ų5979.3 Ų79.336%0.36248%0.483SS..  trans-59.1139.9176.746.70000109.5M1 Q5 V6 R63M1-T3 PolarHBondContact O-N 3.14Å; T3-Q5 PolarHBondContact O-N 3.32Å; T3-V6 PolarHBondContact O-N 2.87Å; T3-R63 PolarHBondContact OG1-NH1 2.86Å; T3-R63 PolarHBondContact OG1-NH2 3.14Å
4A62.8Low66.4Low76 Ų7681 Ų8163%0.62848%0.48SS*.Hα-helixtrans-44.7-33.2-176.400000114.4V6 Q7 A8A4-V6 PolarHBondContact O-N 2.94Å; A4-Q7 PolarHBondContact O-N 3.44Å; A4-A8 PolarHBondContact O-N 3.24Å; A4-A8 VanDerWaalsContact O-N 3.13Å
5Q55.5Low68Low68 Ų6887.7 Ų87.732%0.31849%0.494SS..Hα-helixtrans-60.9-40.6174.9-171.9176.9-25.500114.5T3 Q7 A8 S9 F13 K14T3-Q5 PolarHBondContact O-N 3.32Å; Q5-Q7 VanDerWaalsContact C-N 3.28Å; Q5-Q7 PolarHBondContact O-N 3.09Å; Q5-A8 PolarHBondContact O-N 3.34Å; Q5-A8 VanDerWaalsContact O-N 3.17Å; Q5-S9 PolarHBondContact O-N 3.04Å; Q5-S9 PolarHBondContact O-OG 3.36Å; Q5-S9 VanDerWaalsContact O-OG 3.11Å; Q5-F13 PolarHBondContact NE2-O 2.77Å; Q5-K14 VanDerWaalsContact NE2-CA 3.25Å
6V62.1Low69.4Low24 Ų2484.5 Ų84.515%0.14547%0.471CS..Hα-helixtrans-68.5-33.3178.6-176.20000110.5L2 T3 A4 A8 G10 I12L2-V6 HydrophobicContact CD2-CB 3.93Å; L2-V6 HydrophobicContact CD2-CG1 3.49Å; L2-V6 VanDerWaalsContact CD2-CG1 3.49Å; L2-V6 HydrophobicContact CD2-CG2 4.41Å; T3-V6 PolarHBondContact O-N 2.87Å; A4-V6 PolarHBondContact O-N 2.94Å; V6-A8 VanDerWaalsContact C-N 3.29Å; V6-G10 VanDerWaalsContact O-CA 3.24Å; V6-G10 WeakPolarHBondContact O-CA 3.21Å; V6-G10 PolarHBondContact O-N 2.88Å; V6-I12 HydrophobicContact CG2-CB 4.37Å; V6-I12 HydrophobicContact CG2-CG2 3.78Å
7Q56Low70.6Confident148 Ų14891 Ų9169%0.69250%0.497SS*.Hα-helixtrans-68.7-30.6174.8-63.8177.2-54.700111.8L2 A4 Q5L2-Q7 HydrophobicContact CB-CG 4.34Å; A4-Q7 PolarHBondContact O-N 3.44Å; Q5-Q7 VanDerWaalsContact C-N 3.28Å; Q5-Q7 PolarHBondContact O-N 3.09Å
8A58.9Low71.8Confident92 Ų9289.4 Ų89.476%0.7649%0.494SS*.Hα-helixtrans-86.1-40.2-178.200000114.1A4 Q5 V6A4-A8 PolarHBondContact O-N 3.24Å; A4-A8 VanDerWaalsContact O-N 3.13Å; Q5-A8 PolarHBondContact O-N 3.34Å; Q5-A8 VanDerWaalsContact O-N 3.17Å; V6-A8 VanDerWaalsContact C-N 3.29Å
9S62.8Low72.8Confident62 Ų6287.6 Ų87.643%0.43448%0.482SS..Hα-helixtrans-112.5-7.4-174.368.80000114.6Q5 S11Q5-S9 PolarHBondContact O-N 3.04Å; Q5-S9 PolarHBondContact O-OG 3.36Å; Q5-S9 VanDerWaalsContact O-OG 3.11Å; S9-S11 PolarHBondContact O-N 3.29Å; S9-S11 VanDerWaalsContact O-N 3.16Å; S9-S11 PolarHBondContact OG-N 2.85Å; S9-S11 PolarHBondContact OG-O 3.42Å
10G71.4Confident73.8Confident68 Ų6885.9 Ų85.970%0.70148%0.477SS*.SBendtrans68.51.8-169.300000113.9V6V6-G10 VanDerWaalsContact O-CA 3.24Å; V6-G10 WeakPolarHBondContact O-CA 3.21Å; V6-G10 PolarHBondContact O-N 2.88Å
11S80.4Confident74.7Confident26 Ų2683 Ų8318%0.18246%0.464CS..  trans-121.7141.1-174.3177.30000111.7S9 F13S9-S11 PolarHBondContact O-N 3.29Å; S9-S11 VanDerWaalsContact O-N 3.16Å; S9-S11 PolarHBondContact OG-N 2.85Å; S9-S11 PolarHBondContact OG-O 3.42Å; S11-F13 PolarHBondContact O-N 3.5Å; S11-F13 WeakPolarHBondContact OG-CD2 3.29Å; S11-F13 PolarHBondContact OG-N 3.43Å; S11-F13 VanDerWaalsContact OG-N 3.12Å
12I89.2Confident77.3Confident37 Ų3771.6 Ų71.619%0.1941%0.408CS..SBendtrans-76-13.5172.168.7165.9000112.6V6 R63V6-I12 HydrophobicContact CG2-CB 4.37Å; V6-I12 HydrophobicContact CG2-CG2 3.78Å; I12-R63 HydrophobicContact CB-CG 4.33Å; I12-R63 HydrophobicContact CD1-CG 4Å; I12-R63 HydrophobicContact CG1-CG 4.28Å; I12-R63 WeakPolarHBondContact O-CD 3.42Å
13F93.1Very high79.6Confident8 Ų869 Ų694%0.03540%0.397CS..SBendtrans-91.3147.1-172.8-55.5-67.4000111.6Q5 S11 L54 L57 V76 D78Q5-F13 PolarHBondContact NE2-O 2.77Å; S11-F13 PolarHBondContact O-N 3.5Å; S11-F13 WeakPolarHBondContact OG-CD2 3.29Å; S11-F13 PolarHBondContact OG-N 3.43Å; S11-F13 VanDerWaalsContact OG-N 3.12Å; F13-L54 HydrophobicContact CD1-CD2 4.3Å; F13-L54 HydrophobicContact CD2-CB 4.11Å; F13-L54 HydrophobicContact CD2-CD1 4.32Å; F13-L54 HydrophobicContact CD2-CD2 3.75Å; F13-L54 HydrophobicContact CD2-CG 4.26Å; F13-L54 HydrophobicContact CE1-CD2 4.36Å; F13-L54 HydrophobicContact CE2-CB 3.68Å; F13-L54 HydrophobicContact CE2-CD2 3.84Å; F13-L54 HydrophobicContact CE2-CG 4.25Å; F13-L54 WeakPolarHBondContact CE2-O 3.25Å; F13-L54 HydrophobicContact CG-CD2 3.98Å; F13-L54 HydrophobicContact CZ-CB 4.34Å; F13-L54 HydrophobicContact CZ-CD2 4.14Å; F13-L54 WeakPolarHBondContact CZ-O 3.39Å; F13-L57 HydrophobicContact CE1-CB 3.9Å; F13-L57 HydrophobicContact CZ-CB 3.72Å; F13-V76 HydrophobicContact CD1-CB 3.75Å; F13-V76 HydrophobicContact CD1-CG1 3.47Å; F13-V76 VanDerWaalsContact CD1-CG1 3.47Å; F13-V76 HydrophobicContact CE1-CB 4.12Å; F13-V76 HydrophobicContact CE1-CG1 3.71Å; F13-V76 HydrophobicContact CG-CG1 4.21Å; F13-D78 HydrophobicContact CB-CB 4.07Å
14K89.4Confident81.1Confident103 Ų10372.6 Ų72.645%0.44841%0.414SS..BIsolated β-bridgetrans-69.8143.3-177.8-68.4-177.7-178.2175.10110.6Q5 S75 V76 Y77 D78Q5-K14 VanDerWaalsContact NE2-CA 3.25Å; K14-S75 PolarHBondContact NZ-OG 3.43Å; K14-V76 PolarHBondContact N-O 2.91Å; K14-Y77 HydrophobicContact CB-CD1 3.97Å; K14-Y77 HydrophobicContact CB-CE1 4.19Å; K14-Y77 CarbonylContact O-C 3.52Å; K14-Y77 WeakPolarHBondContact O-CA 3.27Å; K14-D78 PolarHBondContact O-N 3.32Å
15R89.6Confident82.6Confident182 Ų18272.9 Ų72.969%0.68740%0.4SS*.PPolyproline II helixtrans-78.5133.7164.4-169.8158.6164.1158.4-6.6109E17 D78R15-E17 PolarHBondContact O-N 2.97Å; R15-D78 WeakPolarHBondContact CA-OD1 3.33Å
16R90.8Very high84.5Confident36 Ų3670.1 Ų70.114%0.13639%0.387CS..PPolyproline II helixtrans-77.5117.5175.4-177.3177.4-70-87.97109.1S18 M19 Y77 P81 D84R16-S18 WeakPolarHBondContact CD-O 3.35Å; R16-S18 WeakPolarHBondContact CG-O 3.25Å; R16-M19 VanDerWaalsContact CD-SD 3.57Å; R16-Y77 HydrophobicContact CB-CD1 3.66Å; R16-Y77 HydrophobicContact CB-CE1 4.12Å; R16-Y77 HydrophobicContact CB-CG 4.12Å; R16-Y77 HydrophobicContact CG-CD1 4.39Å; R16-Y77 HydrophobicContact CG-CE1 4.43Å; R16-P81 PolarHBondContact NE-O 3.4Å; R16-P81 PolarHBondContact NH2-O 3.01Å; R16-D84 IonicContact CZ-OD1 3.06Å; R16-D84 VanDerWaalsContact CZ-OD1 3.23Å; R16-D84 IonicContact NH1-OD1 2.68Å; R16-D84 PolarHBondContact NH1-OD1 2.89Å; R16-D84 IonicContact NH2-OD1 3.75Å; R16-D84 PolarHBondContact NH2-OD1 2.68Å
17E90Very high86Confident195 Ų19571.4 Ų71.491%0.91140%0.396SS*.  trans-87.2-27.1179.3-63.5179.8173.600112.7R15R15-E17 PolarHBondContact O-N 2.97Å
18S91.7Very high87.7Confident63 Ų6375.3 Ų75.344%0.44140%0.404SS..  trans-152159.6178.873.80000113.1R16 S20R16-S18 WeakPolarHBondContact CD-O 3.35Å; R16-S18 WeakPolarHBondContact CG-O 3.25Å; S18-S20 VanDerWaalsContact C-N 3.29Å; S18-S20 PolarHBondContact OG-OG 2.74Å
19M90.9Very high89.4Confident55 Ų5578.8 Ų78.827%0.27140%0.397SS..  trans-92.214.9171.6-70.2-64.3-72.100112.6R16 A21 F22 T23 I36 L38 P81R16-M19 VanDerWaalsContact CD-SD 3.57Å; M19-A21 VanDerWaalsContact C-N 3.28Å; M19-A21 PolarHBondContact O-N 3.21Å; M19-F22 HydrophobicContact CE-CB 4.06Å; M19-F22 HydrophobicContact CE-CD1 4.22Å; M19-F22 HydrophobicContact CE-CD2 3.64Å; M19-F22 HydrophobicContact CE-CE2 4.14Å; M19-F22 HydrophobicContact CE-CG 3.71Å; M19-F22 WeakPolarHBondContact O-CB 3.27Å; M19-F22 PolarHBondContact O-N 3.13Å; M19-F22 HydrophobicContact SD-CD2 4.1Å; M19-F22 HydrophobicContact SD-CE2 4.43Å; M19-T23 PolarHBondContact O-N 3.42Å; M19-I36 HydrophobicContact CE-CG2 4.13Å; M19-L38 HydrophobicContact CE-CD2 3.95Å; M19-P81 HydrophobicContact CE-CG 3.81Å; M19-P81 HydrophobicContact SD-CG 4.12Å
20S93.3Very high90.9Very high53 Ų5375.8 Ų75.837%0.37138%0.377SS..Hα-helixtrans-55.2-39.5-174.155.70000113.6S18 F22 T23 N24S18-S20 VanDerWaalsContact C-N 3.29Å; S18-S20 PolarHBondContact OG-OG 2.74Å; S20-F22 VanDerWaalsContact C-N 3.3Å; S20-F22 PolarHBondContact O-N 3.14Å; S20-T23 VanDerWaalsContact CA-OG1 3.29Å; S20-T23 WeakPolarHBondContact CA-OG1 3.49Å; S20-T23 PolarHBondContact O-N 3.12Å; S20-T23 PolarHBondContact O-OG1 3.02Å; S20-T23 VanDerWaalsContact O-OG1 3.09Å; S20-N24 WeakPolarHBondContact O-CB 3.22Å; S20-N24 PolarHBondContact O-N 2.82Å; S20-N24 PolarHBondContact O-ND2 2.8Å; S20-N24 PolarHBondContact O-OD1 2.93Å
21A92.8Very high92Very high25 Ų2575.5 Ų75.521%0.20736%0.359CS..Hα-helixtrans-53.8-46.6174.300000112M19 Y25 M115M19-A21 VanDerWaalsContact C-N 3.28Å; M19-A21 PolarHBondContact O-N 3.21Å; A21-Y25 VanDerWaalsContact O-CB 3.25Å; A21-Y25 WeakPolarHBondContact O-CB 3.5Å; A21-Y25 PolarHBondContact O-N 3.24Å; A21-M115 HydrophobicContact CB-CE 4.22Å; A21-M115 WeakPolarHBondContact O-CE 3.48Å
22F94.6Very high92.6Very high0 Ų076.9 Ų76.90%036%0.364CS..Hα-helixtrans-69.7-45.2178-69.2-102.2000111.2M19 S20 N24 Y25 L26 I36 P81 D84 L142M19-F22 HydrophobicContact CE-CB 4.06Å; M19-F22 HydrophobicContact CE-CD1 4.22Å; M19-F22 HydrophobicContact CE-CD2 3.64Å; M19-F22 HydrophobicContact CE-CE2 4.14Å; M19-F22 HydrophobicContact CE-CG 3.71Å; M19-F22 WeakPolarHBondContact O-CB 3.27Å; M19-F22 PolarHBondContact O-N 3.13Å; M19-F22 HydrophobicContact SD-CD2 4.1Å; M19-F22 HydrophobicContact SD-CE2 4.43Å; S20-F22 VanDerWaalsContact C-N 3.3Å; S20-F22 PolarHBondContact O-N 3.14Å; F22-N24 VanDerWaalsContact C-N 3.31Å; F22-N24 PolarHBondContact O-N 3.38Å; F22-Y25 PolarHBondContact O-N 2.74Å; F22-L26 HydrophobicContact CB-CD1 4.1Å; F22-L26 HydrophobicContact CD1-CD1 3.61Å; F22-L26 HydrophobicContact CG-CD1 4.3Å; F22-L26 VanDerWaalsContact O-CB 3.27Å; F22-L26 WeakPolarHBondContact O-CB 3.45Å; F22-L26 WeakPolarHBondContact O-CG 3.22Å; F22-L26 PolarHBondContact O-N 3.2Å; F22-I36 HydrophobicContact CB-CD1 4.3Å; F22-I36 HydrophobicContact CD1-CD1 3.62Å; F22-I36 HydrophobicContact CD1-CG1 4.05Å; F22-I36 HydrophobicContact CD1-CG2 4.17Å; F22-I36 HydrophobicContact CE1-CD1 4.37Å; F22-I36 HydrophobicContact CE1-CG1 4.37Å; F22-I36 HydrophobicContact CE1-CG2 3.94Å; F22-I36 HydrophobicContact CG-CD1 4.28Å; F22-P81 HydrophobicContact CE1-CB 4.34Å; F22-P81 HydrophobicContact CE1-CG 4.18Å; F22-P81 HydrophobicContact CE2-CB 4.01Å; F22-P81 HydrophobicContact CE2-CG 3.93Å; F22-P81 HydrophobicContact CZ-CB 3.52Å; F22-P81 HydrophobicContact CZ-CG 3.64Å; F22-D84 WeakPolarHBondContact CE2-OD1 3.5Å; F22-L142 HydrophobicContact CD1-CD1 4.23Å; F22-L142 HydrophobicContact CE1-CB 3.9Å; F22-L142 HydrophobicContact CE1-CD1 4.05Å
23T94.1Very high92.6Very high68 Ų6877.8 Ų77.842%0.41738%0.382SS..Hα-helixtrans-68.8-29.8-176.159.80000113.8M19 S20 I31M19-T23 PolarHBondContact O-N 3.42Å; S20-T23 VanDerWaalsContact CA-OG1 3.29Å; S20-T23 WeakPolarHBondContact CA-OG1 3.49Å; S20-T23 PolarHBondContact O-N 3.12Å; S20-T23 PolarHBondContact O-OG1 3.02Å; S20-T23 VanDerWaalsContact O-OG1 3.09Å; T23-I31 HydrophobicContact CG2-CD1 4.21Å; T23-I31 HydrophobicContact CG2-CG2 4.3Å
24N94.6Very high92.6Very high135 Ų13584 Ų8472%0.72241%0.414SS*.Hα-helixtrans-84.1-25.3-178.7-65.2-9.2000112.4S20 F22S20-N24 WeakPolarHBondContact O-CB 3.22Å; S20-N24 PolarHBondContact O-N 2.82Å; S20-N24 PolarHBondContact O-ND2 2.8Å; S20-N24 PolarHBondContact O-OD1 2.93Å; F22-N24 VanDerWaalsContact C-N 3.31Å; F22-N24 PolarHBondContact O-N 3.38Å
25Y94Very high92.8Very high83 Ų8380.7 Ų80.733%0.32540%0.402SS..Hα-helixtrans-104.2-39.6-173.4-170.9-97.4000113.4A21 F22 M115 C116 E119 N120A21-Y25 VanDerWaalsContact O-CB 3.25Å; A21-Y25 WeakPolarHBondContact O-CB 3.5Å; A21-Y25 PolarHBondContact O-N 3.24Å; F22-Y25 PolarHBondContact O-N 2.74Å; Y25-M115 HydrophobicContact CD1-CE 3.98Å; Y25-M115 HydrophobicContact CD1-CG 3.85Å; Y25-M115 HydrophobicContact CD1-SD 3.92Å; Y25-M115 HydrophobicContact CE1-CG 4.28Å; Y25-M115 HydrophobicContact CG-CE 3.75Å; Y25-M115 HydrophobicContact CG-SD 4.26Å; Y25-C116 HydrophobicContact CE1-CB 4.18Å; Y25-C116 HydrophobicContact CE2-CB 4.2Å; Y25-C116 VanDerWaalsContact CE2-SG 3.6Å; Y25-C116 VanDerWaalsContact CZ-SG 3.6Å; Y25-C116 VanDerWaalsContact OH-CA 3.27Å; Y25-C116 WeakPolarHBondContact OH-CA 3.4Å; Y25-C116 PolarHBondContact OH-O 3.11Å; Y25-E119 HydrophobicContact CD1-CG 4.5Å; Y25-E119 HydrophobicContact CE1-CB 4.04Å; Y25-E119 HydrophobicContact CE1-CG 3.9Å; Y25-N120 PolarHBondContact OH-ND2 3.25Å
26L94.5Very high93.1Very high9 Ų972 Ų725%0.04737%0.369CS..SBendtrans-86.4148-174.5-59.4175.8000111.5F22 K30 I31 I36 E119 L142F22-L26 HydrophobicContact CB-CD1 4.1Å; F22-L26 HydrophobicContact CD1-CD1 3.61Å; F22-L26 HydrophobicContact CG-CD1 4.3Å; F22-L26 VanDerWaalsContact O-CB 3.27Å; F22-L26 WeakPolarHBondContact O-CB 3.45Å; F22-L26 WeakPolarHBondContact O-CG 3.22Å; F22-L26 PolarHBondContact O-N 3.2Å; L26-K30 HydrophobicContact CD2-CD 4.46Å; L26-I31 HydrophobicContact CB-CG1 4.31Å; L26-I36 HydrophobicContact CD1-CD1 4.03Å; L26-I36 HydrophobicContact CD1-CG1 4.45Å; L26-E119 HydrophobicContact CD2-CG 3.52Å; L26-L142 HydrophobicContact CD1-CD1 3.38Å; L26-L142 HydrophobicContact CD2-CD1 3.9Å; L26-L142 HydrophobicContact CG-CD1 4.28Å
27P92.9Very high93.2Very high51 Ų5172.7 Ų72.733%0.33137%0.373SS..  trans-62.6143.8170.828.5-34.7000110.3W29 K30P27-W29 HydrophobicContact CG-CD2 4.47Å; P27-W29 HydrophobicContact CG-CZ2 3.91Å; P27-W29 PolarHBondContact O-N 3.44Å; P27-K30 HydrophobicContact CG-CB 4.08Å; P27-K30 WeakPolarHBondContact O-CB 3.14Å; P27-K30 PolarHBondContact O-N 2.94Å
28R93.6Very high93.1Very high230 Ų23066.5 Ų66.587%0.86835%0.346SS*.G310 helixtrans-50.1-40.3-173.1-71.1-176.6178.7177.6-0.3114K30 I31R28-K30 PolarHBondContact O-N 3.17Å; R28-I31 PolarHBondContact O-N 3.13Å; R28-I31 VanDerWaalsContact O-N 3.16Å
29W94Very high92.7Very high165 Ų16566.8 Ų66.863%0.62534%0.34SS*.G310 helixtrans-65.9-16.1-178.963.7-99.9000114P27 N32P27-W29 HydrophobicContact CG-CD2 4.47Å; P27-W29 HydrophobicContact CG-CZ2 3.91Å; P27-W29 PolarHBondContact O-N 3.44Å; W29-N32 PolarHBondContact O-ND2 2.95Å
30K94.6Very high91.6Very high0 Ų068.2 Ų68.20%035%0.349CS..G310 helixtrans-93.5-7.5178.7-159.4170.7-174.11710112.9L26 P27 R28 N32 N35 E119 N138L26-K30 HydrophobicContact CD2-CD 4.46Å; P27-K30 HydrophobicContact CG-CB 4.08Å; P27-K30 WeakPolarHBondContact O-CB 3.14Å; P27-K30 PolarHBondContact O-N 2.94Å; R28-K30 PolarHBondContact O-N 3.17Å; K30-N32 VanDerWaalsContact C-N 3.33Å; K30-N32 PolarHBondContact O-N 3.26Å; K30-N35 HydrophobicContact CB-CB 4.49Å; K30-N35 HydrophobicContact CG-CB 3.47Å; K30-N35 VanDerWaalsContact CG-CB 3.47Å; K30-N35 WeakPolarHBondContact O-CB 3.38Å; K30-E119 IonicContact NZ-OE1 2.84Å; K30-E119 PolarHBondContact NZ-OE1 3.16Å; K30-E119 IonicContact NZ-OE2 2.7Å; K30-E119 PolarHBondContact NZ-OE2 2.99Å; K30-N138 PolarHBondContact NZ-O 2.81Å
31I94Very high89.6Confident62 Ų6274 Ų7432%0.31838%0.376SS..  trans-86.477.1-178.6-51.6169000108.8T23 L26 R28 I36T23-I31 HydrophobicContact CG2-CD1 4.21Å; T23-I31 HydrophobicContact CG2-CG2 4.3Å; L26-I31 HydrophobicContact CB-CG1 4.31Å; R28-I31 PolarHBondContact O-N 3.13Å; R28-I31 VanDerWaalsContact O-N 3.16Å; I31-I36 HydrophobicContact CG2-CD1 4.47Å
32N92Very high87.4Confident55 Ų5576.9 Ų76.929%0.29439%0.393SS..SBendtrans-160168.4178.253.754.3000111.6W29 K30 I34 N35 I36W29-N32 PolarHBondContact O-ND2 2.95Å; K30-N32 VanDerWaalsContact C-N 3.33Å; K30-N32 PolarHBondContact O-N 3.26Å; N32-I34 PolarHBondContact O-N 3.06Å; N32-I34 VanDerWaalsContact O-N 3.11Å; N32-I34 WeakPolarHBondContact OD1-CB 3.41Å; N32-I34 PolarHBondContact OD1-N 3.45Å; N32-I34 VanDerWaalsContact OD1-N 3.16Å; N32-N35 PolarHBondContact O-N 3.16Å; N32-N35 PolarHBondContact OD1-N 3.17Å; N32-N35 VanDerWaalsContact OD1-N 3.14Å; N32-N35 PolarHBondContact OD1-ND2 2.88Å; N32-I36 PolarHBondContact O-N 2.8Å
33G90.6Very high85.3Confident56 Ų5682.5 Ų82.558%0.57743%0.43SS*.THydrogen-bonded Turntrans-64.5-9.7179.400000115.6I36G33-I36 CarbonylContact C-O 3.57Å; G33-I36 WeakPolarHBondContact CA-O 3.32Å
34I92Very high83Confident137 Ų13787.8 Ų87.870%0.70345%0.45SS*.THydrogen-bonded Turntrans-80.8-40.1175.7-60.4170.9000110.3N32N32-I34 PolarHBondContact O-N 3.06Å; N32-I34 VanDerWaalsContact O-N 3.11Å; N32-I34 WeakPolarHBondContact OD1-CB 3.41Å; N32-I34 PolarHBondContact OD1-N 3.45Å; N32-I34 VanDerWaalsContact OD1-N 3.16Å
35N95Very high80.8Confident34 Ų3484.9 Ų84.918%0.18245%0.452CS..THydrogen-bonded Turntrans-102.1-16.1-174.5-65.3-84.8000113.2K30 N32 V141 L142K30-N35 HydrophobicContact CB-CB 4.49Å; K30-N35 HydrophobicContact CG-CB 3.47Å; K30-N35 VanDerWaalsContact CG-CB 3.47Å; K30-N35 WeakPolarHBondContact O-CB 3.38Å; N32-N35 PolarHBondContact O-N 3.16Å; N32-N35 PolarHBondContact OD1-N 3.17Å; N32-N35 VanDerWaalsContact OD1-N 3.14Å; N32-N35 PolarHBondContact OD1-ND2 2.88Å; N35-V141 CarbonylContact O-C 3.31Å; N35-V141 WeakPolarHBondContact O-CA 3.39Å; N35-L142 PolarHBondContact O-N 3.02Å
36I94.4Very high79.3Confident1 Ų182 Ų821%0.00544%0.442CS..BIsolated β-bridgetrans-126.6124.5178.5-55.5169.7000106.6M19 F22 L26 I31 N32 G33 L38 P81 L142M19-I36 HydrophobicContact CE-CG2 4.13Å; F22-I36 HydrophobicContact CB-CD1 4.3Å; F22-I36 HydrophobicContact CD1-CD1 3.62Å; F22-I36 HydrophobicContact CD1-CG1 4.05Å; F22-I36 HydrophobicContact CD1-CG2 4.17Å; F22-I36 HydrophobicContact CE1-CD1 4.37Å; F22-I36 HydrophobicContact CE1-CG1 4.37Å; F22-I36 HydrophobicContact CE1-CG2 3.94Å; F22-I36 HydrophobicContact CG-CD1 4.28Å; L26-I36 HydrophobicContact CD1-CD1 4.03Å; L26-I36 HydrophobicContact CD1-CG1 4.45Å; I31-I36 HydrophobicContact CG2-CD1 4.47Å; N32-I36 PolarHBondContact O-N 2.8Å; G33-I36 CarbonylContact C-O 3.57Å; G33-I36 WeakPolarHBondContact CA-O 3.32Å; I36-L38 HydrophobicContact CB-CD2 4.37Å; I36-L38 HydrophobicContact CG2-CD2 3.77Å; I36-L38 HydrophobicContact CG2-CG 4.4Å; I36-L38 PolarHBondContact O-N 2.95Å; I36-L38 VanDerWaalsContact O-N 3.15Å; I36-P81 HydrophobicContact CG2-CG 3.53Å; I36-L142 HydrophobicContact CG1-CB 4.38Å; I36-L142 HydrophobicContact CG1-CD1 4.45Å
37K92.7Very high78.7Confident50 Ų5084.6 Ų84.622%0.21746%0.456CS..  trans-69.4112.1170-170.452.4154.9157.20107.8D40 N46 Y80 V141 L142K37-D40 IonicContact NZ-OD2 2.72Å; K37-D40 PolarHBondContact NZ-OD2 3.16Å; K37-N46 WeakPolarHBondContact CE-ND2 3.46Å; K37-N46 WeakPolarHBondContact CE-OD1 3.44Å; K37-N46 VanDerWaalsContact NZ-CG 3.29Å; K37-N46 PolarHBondContact NZ-ND2 3.24Å; K37-N46 PolarHBondContact NZ-OD1 3.43Å; K37-Y80 HydrophobicContact CB-CD1 4.41Å; K37-Y80 HydrophobicContact CG-CD1 3.9Å; K37-Y80 HydrophobicContact CG-CD2 4.48Å; K37-Y80 HydrophobicContact CG-CE1 4.01Å; K37-Y80 HydrophobicContact CG-CG 4.15Å; K37-V141 HydrophobicContact CB-CG1 4.12Å; K37-L142 PolarHBondContact N-O 3.05Å
38L89.1Confident78.5Confident65 Ų6590.1 Ų90.134%0.3448%0.477SS..PPolyproline II helixtrans-101.5167.5174.5-58.6175.6000108.9M19 I36 D40 P81M19-L38 HydrophobicContact CE-CD2 3.95Å; I36-L38 HydrophobicContact CB-CD2 4.37Å; I36-L38 HydrophobicContact CG2-CD2 3.77Å; I36-L38 HydrophobicContact CG2-CG 4.4Å; I36-L38 PolarHBondContact O-N 2.95Å; I36-L38 VanDerWaalsContact O-N 3.15Å; L38-D40 PolarHBondContact O-N 3.2Å; L38-P81 HydrophobicContact CD2-CG 4.48Å
39E82.1Confident78.4Confident68 Ų6881.5 Ų81.532%0.31845%0.451SS..PPolyproline II helixtrans-58.8126.6165.4-69.4-95.4138.300107.9R79 Y80E39-R79 HydrophobicContact CG-CB 4.24Å; E39-R79 VanDerWaalsContact OE1-CB 3.25Å; E39-R79 WeakPolarHBondContact OE1-CB 3.13Å; E39-R79 WeakPolarHBondContact OE1-CG 3.5Å; E39-R79 IonicContact OE2-CZ 3.12Å; E39-R79 IonicContact OE2-NH1 2.65Å; E39-R79 PolarHBondContact OE2-NH1 2.84Å; E39-Y80 PolarHBondContact OE1-N 2.84Å
40D68Low78.3Confident86 Ų8675.9 Ų75.946%0.4643%0.429SS..PPolyproline II helixtrans-83.9132.1166.4-72.4-52.9000106.2K37 L38 C42 N46K37-D40 IonicContact NZ-OD2 2.72Å; K37-D40 PolarHBondContact NZ-OD2 3.16Å; L38-D40 PolarHBondContact O-N 3.2Å; D40-C42 HydrophobicContact CB-CB 4.37Å; D40-C42 PolarHBondContact O-N 2.82Å; D40-N46 PolarHBondContact OD2-ND2 3.02Å
41D52.8Low78.2Confident174 Ų17479.9 Ų79.993%0.9345%0.45SS*.SBendtrans-64.13.9171.5-70.1-41.9000112.6
42C46Very low78.3Confident85 Ų8578.6 Ų78.657%0.57444%0.442SS*.  trans-89.2118.5179.9-167.30000110.9D40 Q44D40-C42 HydrophobicContact CB-CB 4.37Å; D40-C42 PolarHBondContact O-N 2.82Å; C42-Q44 PolarHBondContact O-N 2.89Å
43P49.4Very low78.5Confident119 Ų11976 Ų7677%0.77343%0.428SS*.THydrogen-bonded Turntrans-68.9-2.6-167.323.5-33.4000116.6
44Q47.6Very low78.7Confident178 Ų17874.2 Ų74.283%0.83241%0.405SS*.THydrogen-bonded Turntrans-129.1-19.6-165.5-68.3177.7-16.900116.3C42C42-Q44 PolarHBondContact O-N 2.89Å
45G48.6Very low78.8Confident75 Ų7571 Ų7177%0.77339%0.392SS*.SBendtrans-100.5-15.5-161.500000117.9
46N61.7Low78.9Confident23 Ų2370.7 Ų70.712%0.12339%0.39CS..SBendtrans-126.70.9-165.4-16717000113.5K37 D40 Y80K37-N46 WeakPolarHBondContact CE-ND2 3.46Å; K37-N46 WeakPolarHBondContact CE-OD1 3.44Å; K37-N46 VanDerWaalsContact NZ-CG 3.29Å; K37-N46 PolarHBondContact NZ-ND2 3.24Å; K37-N46 PolarHBondContact NZ-OD1 3.43Å; D40-N46 PolarHBondContact OD2-ND2 3.02Å; N46-Y80 WeakPolarHBondContact ND2-CE2 3.29Å; N46-Y80 PolarHBondContact O-OH 3.15Å; N46-Y80 WeakPolarHBondContact OD1-CE2 3.38Å; N46-Y80 PolarHBondContact OD1-OH 2.88Å
47D81Confident79.1Confident62 Ų6270.7 Ų70.733%0.33239%0.39SS..Hα-helixtrans-82.8-29.3-170.6-147.16.3000112.9T49 R50 I51D47-T49 PolarHBondContact O-N 3.35Å; D47-R50 VanDerWaalsContact CG-NH2 3.27Å; D47-R50 PolarHBondContact O-N 3.13Å; D47-R50 VanDerWaalsContact O-N 3.16Å; D47-R50 IonicContact OD1-CZ 2.82Å; D47-R50 IonicContact OD1-NE 2.74Å; D47-R50 PolarHBondContact OD1-NE 3.24Å; D47-R50 IonicContact OD1-NH2 3.85Å; D47-R50 PolarHBondContact OD1-NH2 3.41Å; D47-R50 IonicContact OD2-NH2 3.47Å; D47-R50 PolarHBondContact OD2-NH2 3.08Å; D47-R50 VanDerWaalsContact OD2-NH2 3.12Å; D47-I51 HydrophobicContact CB-CD1 4.04Å; D47-I51 WeakPolarHBondContact O-CB 3.15Å; D47-I51 WeakPolarHBondContact O-CG1 3.48Å; D47-I51 PolarHBondContact O-N 3.05Å
48E89Confident79.2Confident167 Ų16769.4 Ų69.478%0.7839%0.391SS*.Hα-helixtrans-59.1-44.1-178.4-65-175164.200112.8F52E48-F52 WeakPolarHBondContact O-CB 3.37Å; E48-F52 PolarHBondContact O-N 2.91Å
49T92Very high79.5Confident50 Ų5071.9 Ų71.931%0.30741%0.405SS..Hα-helixtrans-65.9-41.7178.2-66.50000111.3D47 F52 V53 Y80 L145D47-T49 PolarHBondContact O-N 3.35Å; T49-F52 PolarHBondContact O-N 3.35Å; T49-V53 WeakPolarHBondContact O-CG2 3.47Å; T49-V53 PolarHBondContact O-N 3.47Å; T49-Y80 WeakPolarHBondContact CB-OH 3.43Å; T49-L145 HydrophobicContact CG2-CB 3.59Å; T49-L145 HydrophobicContact CG2-CD2 4.1Å; T49-L145 HydrophobicContact CG2-CG 4.47Å
50R92.7Very high80.1Confident47 Ų4774.2 Ų74.218%0.17741%0.412CS..Hα-helixtrans-63.5-51.7177.4177.1176.375.8112.41.2110.4D47 F52 V53 L54 D78 Y80 L82D47-R50 VanDerWaalsContact CG-NH2 3.27Å; D47-R50 PolarHBondContact O-N 3.13Å; D47-R50 VanDerWaalsContact O-N 3.16Å; D47-R50 IonicContact OD1-CZ 2.82Å; D47-R50 IonicContact OD1-NE 2.74Å; D47-R50 PolarHBondContact OD1-NE 3.24Å; D47-R50 IonicContact OD1-NH2 3.85Å; D47-R50 PolarHBondContact OD1-NH2 3.41Å; D47-R50 IonicContact OD2-NH2 3.47Å; D47-R50 PolarHBondContact OD2-NH2 3.08Å; D47-R50 VanDerWaalsContact OD2-NH2 3.12Å; R50-F52 VanDerWaalsContact C-N 3.31Å; R50-F52 PolarHBondContact O-N 3.34Å; R50-V53 PolarHBondContact O-N 3.22Å; R50-L54 HydrophobicContact CG-CD1 3.73Å; R50-L54 HydrophobicContact CG-CG 4.22Å; R50-L54 WeakPolarHBondContact O-CB 3.33Å; R50-L54 VanDerWaalsContact O-CG 3.27Å; R50-L54 WeakPolarHBondContact O-CG 3.36Å; R50-L54 PolarHBondContact O-N 3Å; R50-D78 WeakPolarHBondContact CD-O 3.44Å; R50-D78 PolarHBondContact NH1-O 3.05Å; R50-Y80 HydrophobicContact CB-CE2 3.92Å; R50-Y80 PolarHBondContact N-OH 2.76Å; R50-L82 HydrophobicContact CG-CD2 3.85Å
51I92.4Very high81.3Confident83 Ų8378.6 Ų78.643%0.42643%0.426SS..Hα-helixtrans-58.4-45.7177.9-68165.5000109.8D47 V53 L54 T55D47-I51 HydrophobicContact CB-CD1 4.04Å; D47-I51 WeakPolarHBondContact O-CB 3.15Å; D47-I51 WeakPolarHBondContact O-CG1 3.48Å; D47-I51 PolarHBondContact O-N 3.05Å; I51-V53 PolarHBondContact O-N 2.82Å; I51-L54 PolarHBondContact O-N 3.44Å; I51-T55 WeakPolarHBondContact O-CB 3.42Å; I51-T55 PolarHBondContact O-N 2.82Å; I51-T55 PolarHBondContact O-OG1 2.86Å
52F95.2Very high83.3Confident36 Ų3677.2 Ų77.216%0.15841%0.408CS..Hα-helixtrans-55.4-50.9176.7171.1-97.2000111.9E48 T49 R50 N56 L89 V101 K102 Y103 L145E48-F52 WeakPolarHBondContact O-CB 3.37Å; E48-F52 PolarHBondContact O-N 2.91Å; T49-F52 PolarHBondContact O-N 3.35Å; R50-F52 VanDerWaalsContact C-N 3.31Å; R50-F52 PolarHBondContact O-N 3.34Å; F52-N56 WeakPolarHBondContact CE2-ND2 3.41Å; F52-N56 WeakPolarHBondContact O-CB 3.15Å; F52-N56 PolarHBondContact O-N 2.92Å; F52-N56 PolarHBondContact O-ND2 3.35Å; F52-L89 HydrophobicContact CE1-CD2 4.28Å; F52-V101 HydrophobicContact CE1-CG2 4.49Å; F52-V101 HydrophobicContact CZ-CB 3.92Å; F52-V101 HydrophobicContact CZ-CG1 4.48Å; F52-V101 HydrophobicContact CZ-CG2 3.78Å; F52-K102 WeakPolarHBondContact CE2-O 3.02Å; F52-Y103 HydrophobicContact CD2-CD2 4.34Å; F52-Y103 HydrophobicContact CE1-CD2 4.04Å; F52-Y103 AromaticContact CE2-CD2 3.84Å; F52-Y103 HydrophobicContact CE2-CD2 3.84Å; F52-Y103 AromaticContact CZ-CD2 3.67Å; F52-Y103 HydrophobicContact CZ-CD2 3.67Å; F52-Y103 HydrophobicContact CZ-CG 4.26Å; F52-L145 HydrophobicContact CD1-CD2 3.72Å; F52-L145 HydrophobicContact CE1-CD2 3.81Å
53V96.1Very high85.7Confident0 Ų077.8 Ų77.80%040%0.398CS..Hα-helixtrans-63-50179.2168.80000111T49 R50 I51 L57 L82 F87 L110 L145T49-V53 WeakPolarHBondContact O-CG2 3.47Å; T49-V53 PolarHBondContact O-N 3.47Å; R50-V53 PolarHBondContact O-N 3.22Å; I51-V53 PolarHBondContact O-N 2.82Å; V53-L57 HydrophobicContact CG1-CD1 3.73Å; V53-L57 HydrophobicContact CG1-CG 4.47Å; V53-L57 WeakPolarHBondContact O-CB 3.4Å; V53-L57 VanDerWaalsContact O-CG 3.29Å; V53-L57 WeakPolarHBondContact O-CG 3.36Å; V53-L57 PolarHBondContact O-N 3.02Å; V53-L82 HydrophobicContact CB-CD1 3.94Å; V53-L82 HydrophobicContact CG1-CD1 3.79Å; V53-L82 HydrophobicContact CG2-CD1 4.31Å; V53-F87 HydrophobicContact CG1-CD2 4Å; V53-F87 HydrophobicContact CG1-CE2 3.78Å; V53-F87 HydrophobicContact CG1-CZ 4.19Å; V53-L110 HydrophobicContact CG1-CD2 4.22Å; V53-L110 HydrophobicContact CG2-CD1 4.3Å; V53-L145 HydrophobicContact CG2-CB 4.35Å; V53-L145 HydrophobicContact CG2-CD1 4.43Å; V53-L145 HydrophobicContact CG2-CD2 3.99Å
54L95.3Very high87.9Confident18 Ų1876.4 Ų76.49%0.09438%0.382CS..Hα-helixtrans-70.4-37.8-174-64.8-174.5000112.6F13 R50 I51 G58 V76 Y77 D78 L82F13-L54 HydrophobicContact CD1-CD2 4.3Å; F13-L54 HydrophobicContact CD2-CB 4.11Å; F13-L54 HydrophobicContact CD2-CD1 4.32Å; F13-L54 HydrophobicContact CD2-CD2 3.75Å; F13-L54 HydrophobicContact CD2-CG 4.26Å; F13-L54 HydrophobicContact CE1-CD2 4.36Å; F13-L54 HydrophobicContact CE2-CB 3.68Å; F13-L54 HydrophobicContact CE2-CD2 3.84Å; F13-L54 HydrophobicContact CE2-CG 4.25Å; F13-L54 WeakPolarHBondContact CE2-O 3.25Å; F13-L54 HydrophobicContact CG-CD2 3.98Å; F13-L54 HydrophobicContact CZ-CB 4.34Å; F13-L54 HydrophobicContact CZ-CD2 4.14Å; F13-L54 WeakPolarHBondContact CZ-O 3.39Å; R50-L54 HydrophobicContact CG-CD1 3.73Å; R50-L54 HydrophobicContact CG-CG 4.22Å; R50-L54 WeakPolarHBondContact O-CB 3.33Å; R50-L54 VanDerWaalsContact O-CG 3.27Å; R50-L54 WeakPolarHBondContact O-CG 3.36Å; R50-L54 PolarHBondContact O-N 3Å; I51-L54 PolarHBondContact O-N 3.44Å; L54-G58 WeakPolarHBondContact O-CA 3.15Å; L54-G58 PolarHBondContact O-N 2.96Å; L54-V76 HydrophobicContact CD2-CG1 3.74Å; L54-Y77 WeakPolarHBondContact CD2-O 3.25Å; L54-D78 WeakPolarHBondContact CD1-O 3.45Å; L54-L82 HydrophobicContact CD2-CD2 4.45Å
55T95.2Very high90.3Very high71 Ų7168.8 Ų68.844%0.43635%0.347SS..Hα-helixtrans-62.5-51.4174.7-63.50000110.3I51 L57 G58 D59I51-T55 WeakPolarHBondContact O-CB 3.42Å; I51-T55 PolarHBondContact O-N 2.82Å; I51-T55 PolarHBondContact O-OG1 2.86Å; T55-L57 PolarHBondContact O-N 3.03Å; T55-G58 WeakPolarHBondContact O-CA 3.36Å; T55-G58 PolarHBondContact O-N 3.38Å; T55-D59 PolarHBondContact O-N 3.49Å
56N96.9Very high92.7Very high26 Ų2666.9 Ų66.914%0.13932%0.321CS..Hα-helixtrans-62.3-41.4179.3-79.7-86.3000112F52 G58 Y60 V101F52-N56 WeakPolarHBondContact CE2-ND2 3.41Å; F52-N56 WeakPolarHBondContact O-CB 3.15Å; F52-N56 PolarHBondContact O-N 2.92Å; F52-N56 PolarHBondContact O-ND2 3.35Å; N56-G58 VanDerWaalsContact C-N 3.29Å; N56-G58 PolarHBondContact O-N 3.12Å; N56-Y60 WeakPolarHBondContact O-CD2 3.47Å; N56-Y60 PolarHBondContact O-N 3.16Å; N56-V101 HydrophobicContact CB-CG1 3.63Å; N56-V101 VanDerWaalsContact CG-CG1 3.46Å; N56-V101 WeakPolarHBondContact OD1-CB 3.24Å; N56-V101 VanDerWaalsContact OD1-CG1 3.26Å; N56-V101 WeakPolarHBondContact OD1-CG1 3.08Å
57L97.1Very high94.4Very high1 Ų165.8 Ų65.81%0.00532%0.316CS..Hα-helixtrans-67.6-33.2174.7-69174.3000112.1F13 V53 T55 Y60 K61 R62 V65 V76 F87 V99 L110F13-L57 HydrophobicContact CE1-CB 3.9Å; F13-L57 HydrophobicContact CZ-CB 3.72Å; V53-L57 HydrophobicContact CG1-CD1 3.73Å; V53-L57 HydrophobicContact CG1-CG 4.47Å; V53-L57 WeakPolarHBondContact O-CB 3.4Å; V53-L57 VanDerWaalsContact O-CG 3.29Å; V53-L57 WeakPolarHBondContact O-CG 3.36Å; V53-L57 PolarHBondContact O-N 3.02Å; T55-L57 PolarHBondContact O-N 3.03Å; L57-Y60 CarbonylContact O-C 3.01Å; L57-Y60 PolarHBondContact O-N 2.98Å; L57-K61 PolarHBondContact O-N 2.83Å; L57-K61 VanDerWaalsContact O-N 3.1Å; L57-R62 HydrophobicContact CB-CB 4.48Å; L57-R62 HydrophobicContact CD2-CB 4Å; L57-R62 PolarHBondContact O-N 3.31Å; L57-V65 HydrophobicContact CD1-CG1 4.38Å; L57-V65 HydrophobicContact CD2-CG1 3.84Å; L57-V76 HydrophobicContact CD1-CG1 3.78Å; L57-V76 HydrophobicContact CD1-CG2 3.96Å; L57-F87 HydrophobicContact CD1-CE1 4.31Å; L57-F87 HydrophobicContact CD1-CZ 3.89Å; L57-V99 HydrophobicContact CD2-CG2 3.95Å; L57-L110 HydrophobicContact CD1-CD2 4.31Å; L57-L110 HydrophobicContact CD2-CD2 3.95Å; L57-L110 HydrophobicContact CG-CD2 3.87Å
58G95.7Very high95.1Very high23 Ų2363.1 Ų63.124%0.23730%0.301CS..Hα-helixtrans-64.6-46.1178.700000112.3L54 T55 N56 Y60 K61L54-G58 WeakPolarHBondContact O-CA 3.15Å; L54-G58 PolarHBondContact O-N 2.96Å; T55-G58 WeakPolarHBondContact O-CA 3.36Å; T55-G58 PolarHBondContact O-N 3.38Å; N56-G58 VanDerWaalsContact C-N 3.29Å; N56-G58 PolarHBondContact O-N 3.12Å; G58-Y60 VanDerWaalsContact C-N 3.25Å; G58-Y60 PolarHBondContact O-N 3.18Å; G58-K61 WeakPolarHBondContact O-CA 3.45Å; G58-K61 PolarHBondContact O-N 2.8Å
59D94.6Very high95.4Very high118 Ų11856.4 Ų56.463%0.63127%0.271SS*.Hα-helixtrans-59.1-38.1178.3-69.4-19.4000111.7T55 K61T55-D59 PolarHBondContact O-N 3.49Å; D59-K61 VanDerWaalsContact C-N 3.31Å
60Y94.2Very high95.5Very high117 Ų11755.3 Ų55.346%0.45927%0.265SS..THydrogen-bonded Turntrans-87.53.7175.4-71-102.3000113.5N56 L57 G58 R62 V99 M100N56-Y60 WeakPolarHBondContact O-CD2 3.47Å; N56-Y60 PolarHBondContact O-N 3.16Å; L57-Y60 CarbonylContact O-C 3.01Å; L57-Y60 PolarHBondContact O-N 2.98Å; G58-Y60 VanDerWaalsContact C-N 3.25Å; G58-Y60 PolarHBondContact O-N 3.18Å; Y60-R62 PolarHBondContact O-N 2.73Å; Y60-V99 HydrophobicContact CD1-CG1 4.17Å; Y60-V99 HydrophobicContact CD2-CG1 3.31Å; Y60-V99 HydrophobicContact CE1-CG1 4.28Å; Y60-V99 HydrophobicContact CE2-CG1 3.41Å; Y60-V99 VanDerWaalsContact CE2-CG1 3.41Å; Y60-V99 HydrophobicContact CG-CG1 3.68Å; Y60-M100 WeakPolarHBondContact CE2-O 3.45Å; Y60-M100 PolarHBondContact OH-O 3.04Å
61K93.8Very high95.7Very high177 Ų17759.4 Ų59.477%0.7728%0.28SS*.THydrogen-bonded Turntrans54.431.2-177.5-56.1175.6-176.51730113.3L57 G58 D59 R63L57-K61 PolarHBondContact O-N 2.83Å; L57-K61 VanDerWaalsContact O-N 3.1Å; G58-K61 WeakPolarHBondContact O-CA 3.45Å; G58-K61 PolarHBondContact O-N 2.8Å; D59-K61 VanDerWaalsContact C-N 3.31Å; K61-R63 PolarHBondContact O-N 2.75Å
62R94.7Very high95.9Very high146 Ų14659.1 Ų59.155%0.55128%0.283SS*.  trans-90.393.2-176.7-69.9-68.4-171175.41.8111.2L57 Y60 Q64 V99L57-R62 HydrophobicContact CB-CB 4.48Å; L57-R62 HydrophobicContact CD2-CB 4Å; L57-R62 PolarHBondContact O-N 3.31Å; Y60-R62 PolarHBondContact O-N 2.73Å; R62-Q64 VanDerWaalsContact C-N 3.29Å; R62-V99 HydrophobicContact CG-CG2 4.04Å
63R95.8Very high96Very high97 Ų9762.3 Ų62.337%0.36630%0.301SS..SBendtrans-80.3-11.3174.4-58.3-178.3-173-167.6-4.4114T3 I12 K61 V76T3-R63 PolarHBondContact OG1-NH1 2.86Å; T3-R63 PolarHBondContact OG1-NH2 3.14Å; I12-R63 HydrophobicContact CB-CG 4.33Å; I12-R63 HydrophobicContact CD1-CG 4Å; I12-R63 HydrophobicContact CG1-CG 4.28Å; I12-R63 WeakPolarHBondContact O-CD 3.42Å; K61-R63 PolarHBondContact O-N 2.75Å; R63-V76 PolarHBondContact O-N 3.12Å
64Q97.4Very high96.1Very high90 Ų9062.9 Ų62.942%0.42130%0.304SS..EExtended strand (participates in β ladder)trans-137.8150.9177.2-63.9-179-74.800109.3R62 L73 L74R62-Q64 VanDerWaalsContact C-N 3.29Å; Q64-L73 HydrophobicContact CB-CD2 4.31Å; Q64-L74 CarbonylContact C-O 3.57Å; Q64-L74 WeakPolarHBondContact CA-O 3.4Å; Q64-L74 WeakPolarHBondContact CB-O 3.43Å
65V97.8Very high96.1Very high18 Ų1863.1 Ų63.111%0.10931%0.307CS..EExtended strand (participates in β ladder)trans-127.8151.7175.6-63.70000110L57 L74 V76 I83 F87 A112L57-V65 HydrophobicContact CD1-CG1 4.38Å; L57-V65 HydrophobicContact CD2-CG1 3.84Å; V65-L74 HydrophobicContact CG2-CB 4.08Å; V65-L74 PolarHBondContact N-O 3.1Å; V65-L74 PolarHBondContact O-N 2.89Å; V65-V76 HydrophobicContact CG1-CG2 4Å; V65-V76 HydrophobicContact CG2-CG2 4.34Å; V65-I83 HydrophobicContact CG2-CG2 3.99Å; V65-F87 HydrophobicContact CB-CE1 4.37Å; V65-F87 HydrophobicContact CG1-CE1 4.03Å; V65-F87 HydrophobicContact CG1-CZ 4.37Å; V65-F87 HydrophobicContact CG2-CE1 3.85Å; V65-F87 HydrophobicContact CG2-CZ 4.04Å; V65-A112 HydrophobicContact CB-CB 4.28Å; V65-A112 HydrophobicContact CG2-CB 3.67Å
66C97.7Very high96.2Very high34 Ų3459.7 Ų59.723%0.2329%0.286CS..EExtended strand (participates in β ladder)trans-90.7135.9176.5-69.90000110.3I68 L73 T97C66-I68 PolarHBondContact O-N 3.21Å; C66-L73 VanDerWaalsContact SG-CD2 3.53Å; C66-T97 HydrophobicContact CB-CG2 3.63Å
67C97.6Very high96.1Very high0 Ų060.2 Ų60.20%029%0.286CS..BIsolated β-bridgetrans-64.2126161.5174.10000109.5L69 C70 R71 T72 L74 A112 C114C67-L69 PolarHBondContact O-N 3.11Å; C67-L69 PolarHBondContact SG-N 3.16Å; C67-C70 VanDerWaalsContact CB-SG 3.54Å; C67-R71 WeakPolarHBondContact O-CA 3.43Å; C67-R71 PolarHBondContact O-N 3.25Å; C67-T72 PolarHBondContact N-O 2.72Å; C67-L74 HydrophobicContact CB-CD1 4.48Å; C67-A112 WeakPolarHBondContact CA-O 2.95Å; C67-C114 HydrophobicContact CB-CB 3.98Å; C67-C114 PolarHBondContact SG-N 3.38Å
68I96.9Very high95.8Very high6 Ų661 Ų613%0.03129%0.29CS..THydrogen-bonded Turntrans-66.5-22.7-177.966.6166.7000113.8C66 F88 H94 L111 A112 I113 L151 L199C66-I68 PolarHBondContact O-N 3.21Å; I68-F88 HydrophobicContact CD1-CE1 4.01Å; I68-F88 HydrophobicContact CD1-CZ 3.59Å; I68-H94 HydrophobicContact CB-CB 4.37Å; I68-H94 HydrophobicContact CD1-CB 3.75Å; I68-H94 HydrophobicContact CG2-CB 4.31Å; I68-L111 HydrophobicContact CG2-CB 4.26Å; I68-L111 HydrophobicContact CG2-CD2 3.88Å; I68-A112 PolarHBondContact N-O 2.92Å; I68-I113 HydrophobicContact CD1-CD1 4.31Å; I68-I113 HydrophobicContact CD1-CG1 4.33Å; I68-I113 HydrophobicContact CG1-CD1 4.25Å; I68-I113 HydrophobicContact CG1-CG1 3.9Å; I68-L151 HydrophobicContact CD1-CD1 3.81Å; I68-L151 HydrophobicContact CD1-CG 4.44Å; I68-L199 HydrophobicContact CB-CD1 4.32Å; I68-L199 HydrophobicContact CD1-CD2 4.17Å; I68-L199 HydrophobicContact CG1-CD2 4.45Å
69L95Very high95.5Very high27 Ų2765.3 Ų65.314%0.14130%0.3CS..THydrogen-bonded Turntrans-89.6-41.6-177.2-66.1178.3000113.3C67 I113 C117 L124 F135 L199C67-L69 PolarHBondContact O-N 3.11Å; C67-L69 PolarHBondContact SG-N 3.16Å; L69-I113 HydrophobicContact CD1-CD1 4.01Å; L69-I113 HydrophobicContact CD1-CG2 3.87Å; L69-I113 HydrophobicContact CG-CD1 4.33Å; L69-I113 HydrophobicContact CG-CG2 4.47Å; L69-C117 HydrophobicContact CB-CB 4.07Å; L69-C117 HydrophobicContact CD1-CB 3.71Å; L69-C117 HydrophobicContact CG-CB 4.49Å; L69-L124 HydrophobicContact CD1-CD1 3.71Å; L69-L124 HydrophobicContact CD1-CD2 4.49Å; L69-F135 HydrophobicContact CD1-CE1 4.37Å; L69-L199 HydrophobicContact CD2-CD2 3.72Å
70C94.6Very high95.4Very high27 Ų2760.4 Ų60.418%0.18227%0.272CS..THydrogen-bonded Turntrans-114.1-4.8-176.269.10000114.8C67 T72 C117C67-C70 VanDerWaalsContact CB-SG 3.54Å; C70-T72 PolarHBondContact O-N 2.95Å; C70-T72 WeakPolarHBondContact SG-CB 3.49Å; C70-T72 PolarHBondContact SG-OG1 3.16Å; C70-C117 VanDerWaalsContact CB-SG 3.58Å; C70-C117 VanDerWaalsContact SG-SG 3.67Å
71R95.6Very high95.4Very high132 Ų13254.8 Ų54.850%0.49825%0.25SS..  trans60.94.4-176.1-48.9-63-110.8-179.6-0.5115.3C67 L73 G95C67-R71 WeakPolarHBondContact O-CA 3.43Å; C67-R71 PolarHBondContact O-N 3.25Å; R71-L73 PolarHBondContact O-N 3.01Å; R71-G95 PolarHBondContact NH1-O 2.79Å; R71-G95 PolarHBondContact NH2-O 3.13Å
72T96.6Very high95.5Very high78 Ų7846.4 Ų46.448%0.47921%0.214SC..  trans-57.3132.6172.3-58.10000110C67 C70 L74C67-T72 PolarHBondContact N-O 2.72Å; C70-T72 PolarHBondContact O-N 2.95Å; C70-T72 WeakPolarHBondContact SG-CB 3.49Å; C70-T72 PolarHBondContact SG-OG1 3.16Å; T72-L74 HydrophobicContact CG2-CD2 4.45Å
73L97.5Very high95.6Very high102 Ų10239.5 Ų39.553%0.53419%0.188SC..EExtended strand (participates in β ladder)trans-76.2128.3174-73.5166.2000110.3Q64 C66 R71Q64-L73 HydrophobicContact CB-CD2 4.31Å; C66-L73 VanDerWaalsContact SG-CD2 3.53Å; R71-L73 PolarHBondContact O-N 3.01Å
74L97.3Very high95.7Very high12 Ų1236.2 Ų36.26%0.06318%0.177CC..EExtended strand (participates in β ladder)trans-109.9131178.3-54.8174.7000108.8Q64 V65 C67 T72 I83 A112 C114Q64-L74 CarbonylContact C-O 3.57Å; Q64-L74 WeakPolarHBondContact CA-O 3.4Å; Q64-L74 WeakPolarHBondContact CB-O 3.43Å; V65-L74 HydrophobicContact CG2-CB 4.08Å; V65-L74 PolarHBondContact N-O 3.1Å; V65-L74 PolarHBondContact O-N 2.89Å; C67-L74 HydrophobicContact CB-CD1 4.48Å; T72-L74 HydrophobicContact CG2-CD2 4.45Å; L74-I83 HydrophobicContact CB-CB 4.4Å; L74-I83 HydrophobicContact CB-CG2 4.34Å; L74-I83 HydrophobicContact CD1-CD1 4.03Å; L74-A112 HydrophobicContact CD1-CB 4.42Å; L74-C114 HydrophobicContact CD1-CB 3.84Å; L74-C114 HydrophobicContact CD2-CB 3.7Å; L74-C114 HydrophobicContact CG-CB 4.3Å
75S96.5Very high95.7Very high23 Ų2331.9 Ų31.916%0.16116%0.157CC..EExtended strand (participates in β ladder)trans-69.2137.7171.3-67.10000109.9K14 Y77K14-S75 PolarHBondContact NZ-OG 3.43Å; S75-Y77 WeakPolarHBondContact O-CD2 3.45Å; S75-Y77 WeakPolarHBondContact O-CE2 3.49Å
76V96.5Very high95.7Very high0 Ų031 Ų310%015%0.152CC..  trans-92.5128.8172.4-176.30000109.2F13 K14 L54 L57 R63 V65 L82 I83 F87F13-V76 HydrophobicContact CD1-CB 3.75Å; F13-V76 HydrophobicContact CD1-CG1 3.47Å; F13-V76 VanDerWaalsContact CD1-CG1 3.47Å; F13-V76 HydrophobicContact CE1-CB 4.12Å; F13-V76 HydrophobicContact CE1-CG1 3.71Å; F13-V76 HydrophobicContact CG-CG1 4.21Å; K14-V76 PolarHBondContact N-O 2.91Å; L54-V76 HydrophobicContact CD2-CG1 3.74Å; L57-V76 HydrophobicContact CD1-CG1 3.78Å; L57-V76 HydrophobicContact CD1-CG2 3.96Å; R63-V76 PolarHBondContact O-N 3.12Å; V65-V76 HydrophobicContact CG1-CG2 4Å; V65-V76 HydrophobicContact CG2-CG2 4.34Å; V76-L82 CarbonylContact C-O 3.59Å; V76-L82 WeakPolarHBondContact CA-O 3.27Å; V76-I83 HydrophobicContact CG2-CG2 4.2Å; V76-F87 HydrophobicContact CG2-CZ 4.46Å
77Y94.5Very high95.7Very high36 Ų3629.5 Ų29.514%0.14114%0.141CC..BIsolated β-bridgetrans-104.8150-179.2-60.2-85.1000111.7K14 R16 L54 S75 R79 L82K14-Y77 HydrophobicContact CB-CD1 3.97Å; K14-Y77 HydrophobicContact CB-CE1 4.19Å; K14-Y77 CarbonylContact O-C 3.52Å; K14-Y77 WeakPolarHBondContact O-CA 3.27Å; R16-Y77 HydrophobicContact CB-CD1 3.66Å; R16-Y77 HydrophobicContact CB-CE1 4.12Å; R16-Y77 HydrophobicContact CB-CG 4.12Å; R16-Y77 HydrophobicContact CG-CD1 4.39Å; R16-Y77 HydrophobicContact CG-CE1 4.43Å; L54-Y77 WeakPolarHBondContact CD2-O 3.25Å; S75-Y77 WeakPolarHBondContact O-CD2 3.45Å; S75-Y77 WeakPolarHBondContact O-CE2 3.49Å; Y77-R79 VanDerWaalsContact C-N 3.26Å; Y77-R79 PolarHBondContact O-N 2.58Å; Y77-L82 PolarHBondContact N-O 2.88Å
78D91.5Very high95.7Very high18 Ų1829.5 Ų29.510%0.09614%0.141CC..SBendtrans-75.5-13.3-179.365.7-10000114.1F13 K14 R15 R50 L54F13-D78 HydrophobicContact CB-CB 4.07Å; K14-D78 PolarHBondContact O-N 3.32Å; R15-D78 WeakPolarHBondContact CA-OD1 3.33Å; R50-D78 WeakPolarHBondContact CD-O 3.44Å; R50-D78 PolarHBondContact NH1-O 3.05Å; L54-D78 WeakPolarHBondContact CD1-O 3.45Å
79R90.3Very high95.7Very high114 Ų11429.2 Ų29.243%0.4314%0.14SC..SBendtrans-134159.2178.9-71.1-164.9-175.5-109.41.2111.2E39 Y77 P81E39-R79 HydrophobicContact CG-CB 4.24Å; E39-R79 VanDerWaalsContact OE1-CB 3.25Å; E39-R79 WeakPolarHBondContact OE1-CB 3.13Å; E39-R79 WeakPolarHBondContact OE1-CG 3.5Å; E39-R79 IonicContact OE2-CZ 3.12Å; E39-R79 IonicContact OE2-NH1 2.65Å; E39-R79 PolarHBondContact OE2-NH1 2.84Å; Y77-R79 VanDerWaalsContact C-N 3.26Å; Y77-R79 PolarHBondContact O-N 2.58Å; R79-P81 CarbonylContact O-C 3.58Å; R79-P81 VanDerWaalsContact O-C 3.31Å
80Y92.3Very high95.8Very high14 Ų1428 Ų286%0.05513%0.134CC..SBendtrans-62.8143.5177.1-74.3-63.8000111.9K37 E39 N46 T49 R50 L82 G143K37-Y80 HydrophobicContact CB-CD1 4.41Å; K37-Y80 HydrophobicContact CG-CD1 3.9Å; K37-Y80 HydrophobicContact CG-CD2 4.48Å; K37-Y80 HydrophobicContact CG-CE1 4.01Å; K37-Y80 HydrophobicContact CG-CG 4.15Å; E39-Y80 PolarHBondContact OE1-N 2.84Å; N46-Y80 WeakPolarHBondContact ND2-CE2 3.29Å; N46-Y80 PolarHBondContact O-OH 3.15Å; N46-Y80 WeakPolarHBondContact OD1-CE2 3.38Å; N46-Y80 PolarHBondContact OD1-OH 2.88Å; T49-Y80 WeakPolarHBondContact CB-OH 3.43Å; R50-Y80 HydrophobicContact CB-CE2 3.92Å; R50-Y80 PolarHBondContact N-OH 2.76Å; Y80-L82 HydrophobicContact CD1-CD1 4.39Å; Y80-L82 HydrophobicContact CD1-CD2 4.12Å; Y80-L82 HydrophobicContact CD1-CG 3.77Å; Y80-L82 HydrophobicContact CE1-CD1 3.92Å; Y80-L82 HydrophobicContact CE1-CD2 4.34Å; Y80-L82 HydrophobicContact CE1-CG 3.82Å; Y80-G143 WeakPolarHBondContact CD1-O 3.19Å; Y80-G143 WeakPolarHBondContact CE1-O 3.49Å
81P94.2Very high95.9Very high0 Ų028.5 Ų28.50%014%0.137CC..SBendcis-68.4130.5-12.5-23.836.9000113R16 M19 F22 I36 L38 R79 I83R16-P81 PolarHBondContact NE-O 3.4Å; R16-P81 PolarHBondContact NH2-O 3.01Å; M19-P81 HydrophobicContact CE-CG 3.81Å; M19-P81 HydrophobicContact SD-CG 4.12Å; F22-P81 HydrophobicContact CE1-CB 4.34Å; F22-P81 HydrophobicContact CE1-CG 4.18Å; F22-P81 HydrophobicContact CE2-CB 4.01Å; F22-P81 HydrophobicContact CE2-CG 3.93Å; F22-P81 HydrophobicContact CZ-CB 3.52Å; F22-P81 HydrophobicContact CZ-CG 3.64Å; I36-P81 HydrophobicContact CG2-CG 3.53Å; L38-P81 HydrophobicContact CD2-CG 4.48Å; R79-P81 CarbonylContact O-C 3.58Å; R79-P81 VanDerWaalsContact O-C 3.31Å; P81-I83 PolarHBondContact O-N 3.46Å
82L94.7Very high95.9Very high1 Ų122.9 Ų22.91%0.00512%0.117CC..SBendtrans-66.9-24.3-173.6-56.5-179000113.6R50 V53 L54 V76 Y77 Y80 F87R50-L82 HydrophobicContact CG-CD2 3.85Å; V53-L82 HydrophobicContact CB-CD1 3.94Å; V53-L82 HydrophobicContact CG1-CD1 3.79Å; V53-L82 HydrophobicContact CG2-CD1 4.31Å; L54-L82 HydrophobicContact CD2-CD2 4.45Å; V76-L82 CarbonylContact C-O 3.59Å; V76-L82 WeakPolarHBondContact CA-O 3.27Å; Y77-L82 PolarHBondContact N-O 2.88Å; Y80-L82 HydrophobicContact CD1-CD1 4.39Å; Y80-L82 HydrophobicContact CD1-CD2 4.12Å; Y80-L82 HydrophobicContact CD1-CG 3.77Å; Y80-L82 HydrophobicContact CE1-CD1 3.92Å; Y80-L82 HydrophobicContact CE1-CD2 4.34Å; Y80-L82 HydrophobicContact CE1-CG 3.82Å; L82-F87 HydrophobicContact CB-CD2 4.36Å; L82-F87 HydrophobicContact CB-CE2 3.86Å
83I97.3Very high95.9Very high0 Ų021.8 Ų21.80%011%0.108CC..SBendtrans-146.8163.3172.754.1169.4000109.2V65 L74 V76 P81 G85 F87 A112V65-I83 HydrophobicContact CG2-CG2 3.99Å; L74-I83 HydrophobicContact CB-CB 4.4Å; L74-I83 HydrophobicContact CB-CG2 4.34Å; L74-I83 HydrophobicContact CD1-CD1 4.03Å; V76-I83 HydrophobicContact CG2-CG2 4.2Å; P81-I83 PolarHBondContact O-N 3.46Å; I83-G85 PolarHBondContact O-N 3.22Å; I83-F87 HydrophobicContact CB-CE2 4.28Å; I83-F87 HydrophobicContact CB-CZ 4.46Å; I83-F87 HydrophobicContact CD1-CD1 4.2Å; I83-F87 HydrophobicContact CD1-CD2 3.99Å; I83-F87 HydrophobicContact CD1-CE1 4.09Å; I83-F87 HydrophobicContact CD1-CE2 3.88Å; I83-F87 HydrophobicContact CD1-CG 4.15Å; I83-F87 HydrophobicContact CD1-CZ 3.93Å; I83-F87 HydrophobicContact CG1-CD2 4.04Å; I83-F87 HydrophobicContact CG1-CE2 3.77Å; I83-F87 HydrophobicContact CG1-CZ 4.18Å; I83-F87 HydrophobicContact CG2-CE1 4.41Å; I83-F87 HydrophobicContact CG2-CE2 3.6Å; I83-F87 HydrophobicContact CG2-CZ 3.45Å; I83-F87 VanDerWaalsContact CG2-CZ 3.45Å; I83-A112 HydrophobicContact CD1-CB 3.73Å
84D97Very high95.7Very high28 Ų2817.1 Ų17.115%0.158%0.084CC..SBendtrans-7863.6169-58.6-28.9000110.2R16 F22 C114 M115R16-D84 IonicContact CZ-OD1 3.06Å; R16-D84 VanDerWaalsContact CZ-OD1 3.23Å; R16-D84 IonicContact NH1-OD1 2.68Å; R16-D84 PolarHBondContact NH1-OD1 2.89Å; R16-D84 IonicContact NH2-OD1 3.75Å; R16-D84 PolarHBondContact NH2-OD1 2.68Å; F22-D84 WeakPolarHBondContact CE2-OD1 3.5Å; D84-C114 WeakPolarHBondContact O-CA 3.4Å; D84-M115 HydrophobicContact CB-CE 4.39Å; D84-M115 HydrophobicContact CB-SD 4.35Å; D84-M115 PolarHBondContact O-N 2.82Å
85G97.7Very high95.4Very high0 Ų017.9 Ų17.90%010%0.095CC..EExtended strand (participates in β ladder)trans167.5-152.2-168.200000110.9I83 I113 G143I83-G85 PolarHBondContact O-N 3.22Å; G85-I113 CarbonylContact C-O 3.57Å; G85-I113 WeakPolarHBondContact CA-O 3.47Å; G85-G143 WeakPolarHBondContact O-CA 3.29Å; G85-G143 PolarHBondContact O-N 2.74Å
86T97.8Very high95.3Very high0 Ų025.2 Ų25.20%013%0.126CC..EExtended strand (participates in β ladder)trans-142144.1177-91.80000111.4A112 I113 V141 L142 G143 Y146T86-A112 WeakPolarHBondContact O-CA 3.43Å; T86-I113 PolarHBondContact N-O 2.87Å; T86-I113 PolarHBondContact O-N 3.12Å; T86-V141 PolarHBondContact OG1-O 3.43Å; T86-L142 VanDerWaalsContact OG1-CA 3.25Å; T86-L142 WeakPolarHBondContact OG1-CA 3.2Å; T86-G143 PolarHBondContact OG1-N 3.31Å; T86-Y146 HydrophobicContact CG2-CD2 3.45Å; T86-Y146 VanDerWaalsContact CG2-CD2 3.45Å; T86-Y146 HydrophobicContact CG2-CE2 3.67Å
87F98.4Very high95.2Very high1 Ų127.1 Ų27.10%0.00414%0.138CC..EExtended strand (participates in β ladder)trans-87.9153.6170.6-72-71.9000111.1V53 L57 V65 V76 L82 I83 L110 L111 A112 T144 L145 Y146V53-F87 HydrophobicContact CG1-CD2 4Å; V53-F87 HydrophobicContact CG1-CE2 3.78Å; V53-F87 HydrophobicContact CG1-CZ 4.19Å; L57-F87 HydrophobicContact CD1-CE1 4.31Å; L57-F87 HydrophobicContact CD1-CZ 3.89Å; V65-F87 HydrophobicContact CB-CE1 4.37Å; V65-F87 HydrophobicContact CG1-CE1 4.03Å; V65-F87 HydrophobicContact CG1-CZ 4.37Å; V65-F87 HydrophobicContact CG2-CE1 3.85Å; V65-F87 HydrophobicContact CG2-CZ 4.04Å; V76-F87 HydrophobicContact CG2-CZ 4.46Å; L82-F87 HydrophobicContact CB-CD2 4.36Å; L82-F87 HydrophobicContact CB-CE2 3.86Å; I83-F87 HydrophobicContact CB-CE2 4.28Å; I83-F87 HydrophobicContact CB-CZ 4.46Å; I83-F87 HydrophobicContact CD1-CD1 4.2Å; I83-F87 HydrophobicContact CD1-CD2 3.99Å; I83-F87 HydrophobicContact CD1-CE1 4.09Å; I83-F87 HydrophobicContact CD1-CE2 3.88Å; I83-F87 HydrophobicContact CD1-CG 4.15Å; I83-F87 HydrophobicContact CD1-CZ 3.93Å; I83-F87 HydrophobicContact CG1-CD2 4.04Å; I83-F87 HydrophobicContact CG1-CE2 3.77Å; I83-F87 HydrophobicContact CG1-CZ 4.18Å; I83-F87 HydrophobicContact CG2-CE1 4.41Å; I83-F87 HydrophobicContact CG2-CE2 3.6Å; I83-F87 HydrophobicContact CG2-CZ 3.45Å; I83-F87 VanDerWaalsContact CG2-CZ 3.45Å; F87-L110 HydrophobicContact CB-CD1 3.95Å; F87-L110 HydrophobicContact CD1-CD1 3.9Å; F87-L110 HydrophobicContact CD1-CG 4.08Å; F87-L110 HydrophobicContact CG-CD1 4.13Å; F87-L111 CarbonylContact C-O 3.45Å; F87-L111 VanDerWaalsContact CA-O 3.24Å; F87-L111 WeakPolarHBondContact CA-O 3.2Å; F87-L111 WeakPolarHBondContact CD1-O 3.22Å; F87-A112 HydrophobicContact CD1-CB 4.01Å; F87-A112 HydrophobicContact CE1-CB 4.01Å; F87-T144 PolarHBondContact N-O 2.68Å; F87-L145 HydrophobicContact CB-CB 4.44Å; F87-L145 HydrophobicContact CB-CD1 3.6Å; F87-L145 WeakPolarHBondContact O-CA 3.43Å; F87-Y146 PolarHBondContact O-N 3.49Å
88F97.7Very high95.3Very high0 Ų026.2 Ų26.20%014%0.14CC..EExtended strand (participates in β ladder)trans-151160.1169.370.9-78.7000110.8I68 L111 I113 Y146 I150I68-F88 HydrophobicContact CD1-CE1 4.01Å; I68-F88 HydrophobicContact CD1-CZ 3.59Å; F88-L111 HydrophobicContact CD1-CB 4Å; F88-L111 HydrophobicContact CE1-CB 3.46Å; F88-L111 VanDerWaalsContact CE1-CB 3.46Å; F88-L111 HydrophobicContact CE1-CD1 4.42Å; F88-L111 HydrophobicContact CE2-CB 4.09Å; F88-L111 HydrophobicContact CE2-CD1 3.74Å; F88-L111 HydrophobicContact CZ-CB 3.53Å; F88-L111 HydrophobicContact CZ-CD1 3.63Å; F88-L111 HydrophobicContact CZ-CG 4.27Å; F88-L111 PolarHBondContact N-O 3.21Å; F88-L111 PolarHBondContact O-N 2.9Å; F88-I113 HydrophobicContact CD1-CG1 4.43Å; F88-I113 HydrophobicContact CE1-CD1 4.19Å; F88-I113 HydrophobicContact CE1-CG1 3.84Å; F88-Y146 CarbonylContact C-O 3.5Å; F88-Y146 WeakPolarHBondContact CA-O 3.43Å; F88-I150 HydrophobicContact CB-CD1 4.25Å; F88-I150 HydrophobicContact CB-CG1 4.21Å; F88-I150 HydrophobicContact CB-CG2 3.83Å; F88-I150 HydrophobicContact CD1-CD1 3.59Å; F88-I150 HydrophobicContact CD1-CG1 3.78Å; F88-I150 HydrophobicContact CD2-CG1 3.97Å; F88-I150 HydrophobicContact CE1-CD1 4.05Å; F88-I150 HydrophobicContact CE1-CG1 4.07Å; F88-I150 HydrophobicContact CE2-CG1 4.21Å; F88-I150 HydrophobicContact CG-CD1 3.92Å; F88-I150 HydrophobicContact CG-CG1 3.71Å; F88-I150 HydrophobicContact CG-CG2 4.25Å; F88-I150 HydrophobicContact CZ-CG1 4.25Å
89L97.4Very high95.6Very high1 Ų125.7 Ų25.71%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-100.6137.6175.2-59-177.5000110.3F52 V101 Y103 L108 H109 L110 L145 Y146 Y148 D149F52-L89 HydrophobicContact CE1-CD2 4.28Å; L89-V101 HydrophobicContact CD2-CG2 3.86Å; L89-Y103 HydrophobicContact CD1-CD1 3.58Å; L89-Y103 HydrophobicContact CD1-CD2 3.87Å; L89-Y103 HydrophobicContact CD1-CE1 4.08Å; L89-Y103 HydrophobicContact CD1-CE2 4.34Å; L89-Y103 HydrophobicContact CD1-CG 3.45Å; L89-Y103 VanDerWaalsContact CD1-CG 3.45Å; L89-L108 HydrophobicContact CB-CB 4.31Å; L89-L108 HydrophobicContact CB-CD1 3.9Å; L89-L108 HydrophobicContact CD1-CD1 3.96Å; L89-H109 WeakPolarHBondContact CA-O 3.46Å; L89-L110 HydrophobicContact CD2-CB 4.22Å; L89-L110 HydrophobicContact CD2-CD1 3.95Å; L89-L145 HydrophobicContact CD2-CD1 4.07Å; L89-L145 HydrophobicContact CG-CD1 4.04Å; L89-L145 HydrophobicContact CG-CD2 4.48Å; L89-Y146 PolarHBondContact N-O 3.05Å; L89-Y148 CarbonylContact O-C 3.58Å; L89-D149 PolarHBondContact O-N 3.32Å; L89-D149 VanDerWaalsContact O-N 3.16Å
90S97.2Very high96Very high0 Ų024.6 Ų24.60%014%0.138CC..EExtended strand (participates in β ladder)trans-141.3142.1173.2-1790000111.1V92 H109 D149S90-V92 WeakPolarHBondContact CB-O 3.22Å; S90-V92 PolarHBondContact O-N 3.4Å; S90-V92 PolarHBondContact OG-N 2.88Å; S90-V92 PolarHBondContact OG-O 2.93Å; S90-H109 PolarHBondContact N-O 3.1Å; S90-H109 WeakPolarHBondContact O-CB 3.26Å; S90-H109 PolarHBondContact O-N 2.99Å; S90-H109 PolarHBondContact O-ND1 2.88Å; S90-D149 WeakPolarHBondContact CB-OD2 3.28Å; S90-D149 PolarHBondContact OG-OD2 3.36Å
91P96Very high96.2Very high39 Ų3924 Ų2425%0.25314%0.136SC..SBendtrans-67.3-14.9167.730.9-36.5000111.6L108 H109 T180 V193 I196P91-L108 HydrophobicContact CB-CD2 3.98Å; P91-H109 PolarHBondContact O-ND1 3.47Å; P91-T180 HydrophobicContact CG-CG2 4.04Å; P91-V193 HydrophobicContact CB-CG1 4.16Å; P91-V193 HydrophobicContact CG-CB 4.31Å; P91-V193 HydrophobicContact CG-CG1 3.67Å; P91-V193 HydrophobicContact CG-CG2 4.44Å; P91-I196 HydrophobicContact CG-CD1 3.26Å
92V95.2Very high96.3Very high13 Ų1331.2 Ų31.28%0.07917%0.168CC..SBendtrans-99.3128.3176.9174.80000110.8S90 H94 L111 V193 I196 R198S90-V92 WeakPolarHBondContact CB-O 3.22Å; S90-V92 PolarHBondContact O-N 3.4Å; S90-V92 PolarHBondContact OG-N 2.88Å; S90-V92 PolarHBondContact OG-O 2.93Å; V92-H94 VanDerWaalsContact C-N 3.31Å; V92-H94 PolarHBondContact O-N 2.7Å; V92-L111 WeakPolarHBondContact O-CD1 3.2Å; V92-V193 HydrophobicContact CG2-CG2 3.8Å; V92-I196 HydrophobicContact CB-CG2 4.3Å; V92-I196 HydrophobicContact CG2-CB 4.43Å; V92-I196 HydrophobicContact CG2-CD1 3.94Å; V92-I196 HydrophobicContact CG2-CG2 3.93Å; V92-R198 VanDerWaalsContact CG2-CZ 3.42Å; V92-R198 VanDerWaalsContact CG2-NH1 3.31Å
93N96.2Very high96.4Very high55 Ų5533.8 Ų33.829%0.29418%0.178SC..  trans-78.977.8170.8-165.8-5.8000111.5G95 E96 T97 G98N93-G95 PolarHBondContact O-N 3.36Å; N93-G95 VanDerWaalsContact O-N 3.09Å; N93-E96 PolarHBondContact O-N 3.11Å; N93-E96 VanDerWaalsContact O-N 3.11Å; N93-E96 WeakPolarHBondContact OD1-CA 3.34Å; N93-T97 PolarHBondContact OD1-N 3.19Å; N93-G98 WeakPolarHBondContact OD1-CA 3.45Å; N93-G98 PolarHBondContact OD1-N 3.09Å
94H94.8Very high96.1Very high4 Ų440.6 Ų40.62%0.01921%0.209CC..G310 helixtrans-55.5117.8-179.5-72.2-66.2000111.9I68 V92 E96 T97 L111 D149 R197 L199I68-H94 HydrophobicContact CB-CB 4.37Å; I68-H94 HydrophobicContact CD1-CB 3.75Å; I68-H94 HydrophobicContact CG2-CB 4.31Å; V92-H94 VanDerWaalsContact C-N 3.31Å; V92-H94 PolarHBondContact O-N 2.7Å; H94-E96 PolarHBondContact O-N 2.81Å; H94-T97 PolarHBondContact O-OG1 3.32Å; H94-T97 VanDerWaalsContact O-OG1 3.04Å; H94-L111 HydrophobicContact CB-CD1 4.05Å; H94-D149 IonicContact CD2-OD2 2.58Å; H94-D149 PolarHBondContact CD2-OD2 2.98Å; H94-D149 IonicContact CE1-OD2 2.82Å; H94-D149 IonicContact NE2-OD1 3.85Å; H94-D149 IonicContact NE2-OD2 3.23Å; H94-D149 PolarHBondContact NE2-OD2 2.87Å; H94-R197 PolarHBondContact CE1-O 2.95Å; H94-L199 HydrophobicContact CB-CD1 3.94Å; H94-L199 HydrophobicContact CB-CG 4.15Å
95G91.1Very high95.9Very high29 Ų2943.3 Ų43.330%0.29924%0.243SC..G310 helixtrans62.320.717800000114.6R71 N93 T97R71-G95 PolarHBondContact NH1-O 2.79Å; R71-G95 PolarHBondContact NH2-O 3.13Å; N93-G95 PolarHBondContact O-N 3.36Å; N93-G95 VanDerWaalsContact O-N 3.09Å; G95-T97 PolarHBondContact O-N 3.2Å
96E94.6Very high95.7Very high176 Ų17648.5 Ų48.582%0.82226%0.263SS*.G310 helixtrans57.929.1177.7-59.1175.3-174.500114N93 H94N93-E96 PolarHBondContact O-N 3.11Å; N93-E96 VanDerWaalsContact O-N 3.11Å; N93-E96 WeakPolarHBondContact OD1-CA 3.34Å; H94-E96 PolarHBondContact O-N 2.81Å
97T94.3Very high95.6Very high40 Ų4054.4 Ų54.425%0.24529%0.291CS..  trans-106-7.8-177.239.20000115.2C66 N93 H94 G95C66-T97 HydrophobicContact CB-CG2 3.63Å; N93-T97 PolarHBondContact OD1-N 3.19Å; H94-T97 PolarHBondContact O-OG1 3.32Å; H94-T97 VanDerWaalsContact O-OG1 3.04Å; G95-T97 PolarHBondContact O-N 3.2Å
98G96.2Very high95.6Very high17 Ų1754.9 Ų54.918%0.17529%0.293CS..PPolyproline II helixtrans-76.2158.6-176.300000113.8N93 L110N93-G98 WeakPolarHBondContact OD1-CA 3.45Å; N93-G98 PolarHBondContact OD1-N 3.09Å; G98-L110 VanDerWaalsContact CA-O 3.3Å; G98-L110 WeakPolarHBondContact CA-O 3.39Å
99V97.4Very high95.6Very high8 Ų856.3 Ų56.35%0.04830%0.3CS..EExtended strand (participates in β ladder)trans-100.1128.9167.11730000108.3L57 Y60 R62 V101 H109 L110L57-V99 HydrophobicContact CD2-CG2 3.95Å; Y60-V99 HydrophobicContact CD1-CG1 4.17Å; Y60-V99 HydrophobicContact CD2-CG1 3.31Å; Y60-V99 HydrophobicContact CE1-CG1 4.28Å; Y60-V99 HydrophobicContact CE2-CG1 3.41Å; Y60-V99 VanDerWaalsContact CE2-CG1 3.41Å; Y60-V99 HydrophobicContact CG-CG1 3.68Å; R62-V99 HydrophobicContact CG-CG2 4.04Å; V99-V101 HydrophobicContact CG1-CG1 4.26Å; V99-H109 CarbonylContact O-C 3.58Å; V99-H109 WeakPolarHBondContact O-CA 3.47Å; V99-L110 HydrophobicContact CB-CB 4.49Å; V99-L110 PolarHBondContact N-O 3.32Å; V99-L110 VanDerWaalsContact N-O 3.12Å; V99-L110 PolarHBondContact O-N 3.5Å
100M97.7Very high95.7Very high90 Ų9056.5 Ų56.544%0.44330%0.301SS..EExtended strand (participates in β ladder)trans-72.1129.3176.7-174.8-172.2-66.500109.8Y60 L108Y60-M100 WeakPolarHBondContact CE2-O 3.45Å; Y60-M100 PolarHBondContact OH-O 3.04Å; M100-L108 CarbonylContact C-O 3.16Å; M100-L108 WeakPolarHBondContact CA-O 3.11Å
101V97.7Very high95.7Very high3 Ų356.7 Ų56.72%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-134.5152.6-176.3-56.50000110.4F52 N56 L89 V99 E107 L108 L110F52-V101 HydrophobicContact CE1-CG2 4.49Å; F52-V101 HydrophobicContact CZ-CB 3.92Å; F52-V101 HydrophobicContact CZ-CG1 4.48Å; F52-V101 HydrophobicContact CZ-CG2 3.78Å; N56-V101 HydrophobicContact CB-CG1 3.63Å; N56-V101 VanDerWaalsContact CG-CG1 3.46Å; N56-V101 WeakPolarHBondContact OD1-CB 3.24Å; N56-V101 VanDerWaalsContact OD1-CG1 3.26Å; N56-V101 WeakPolarHBondContact OD1-CG1 3.08Å; L89-V101 HydrophobicContact CD2-CG2 3.86Å; V99-V101 HydrophobicContact CG1-CG1 4.26Å; V101-E107 WeakPolarHBondContact O-CA 3.37Å; V101-L108 HydrophobicContact CG2-CB 4.31Å; V101-L108 PolarHBondContact N-O 3.46Å; V101-L108 PolarHBondContact O-N 3.04Å; V101-L110 HydrophobicContact CG1-CB 3.85Å; V101-L110 HydrophobicContact CG2-CB 4.44Å
102K96.8Very high95.8Very high151 Ų15155 Ų5566%0.65729%0.291SS*.EExtended strand (participates in β ladder)trans-99.5117.4168.5-71.8-175.3179.5-176.40109.5F52 R106 E107F52-K102 WeakPolarHBondContact CE2-O 3.02Å; K102-R106 CarbonylContact C-O 3.6Å; K102-R106 WeakPolarHBondContact CA-O 3.4Å; K102-E107 WeakPolarHBondContact CE-OE1 3.39Å; K102-E107 HydrophobicContact CG-CG 4.22Å; K102-E107 IonicContact NZ-OE1 4Å
103Y95.2Very high96Very high55 Ų5554.3 Ų54.322%0.21629%0.287CS..EExtended strand (participates in β ladder)trans-131.1120.5179.9-174.5-97.9000109.5F52 L89 G105 R106 L108F52-Y103 HydrophobicContact CD2-CD2 4.34Å; F52-Y103 HydrophobicContact CE1-CD2 4.04Å; F52-Y103 AromaticContact CE2-CD2 3.84Å; F52-Y103 HydrophobicContact CE2-CD2 3.84Å; F52-Y103 AromaticContact CZ-CD2 3.67Å; F52-Y103 HydrophobicContact CZ-CD2 3.67Å; F52-Y103 HydrophobicContact CZ-CG 4.26Å; L89-Y103 HydrophobicContact CD1-CD1 3.58Å; L89-Y103 HydrophobicContact CD1-CD2 3.87Å; L89-Y103 HydrophobicContact CD1-CE1 4.08Å; L89-Y103 HydrophobicContact CD1-CE2 4.34Å; L89-Y103 HydrophobicContact CD1-CG 3.45Å; L89-Y103 VanDerWaalsContact CD1-CG 3.45Å; Y103-G105 PolarHBondContact O-N 2.83Å; Y103-R106 PolarHBondContact N-O 2.8Å; Y103-R106 PolarHBondContact O-N 3.38Å; Y103-L108 HydrophobicContact CD1-CD1 4.42Å
104E92.2Very high96Very high143 Ų14351.9 Ų51.967%0.66827%0.274SS*.THydrogen-bonded Turntrans49.543.8-177.5-59.9-178.4146.900113R106E104-R106 PolarHBondContact O-N 2.96Å; E104-R106 IonicContact OE2-NH2 3.37Å; E104-R106 PolarHBondContact OE2-NH2 3.21Å
105G92.8Very high96.1Very high84 Ų8452.5 Ų52.587%0.86628%0.277SS*.THydrogen-bonded Turntrans76.6-0.7-18000000115.6Y103Y103-G105 PolarHBondContact O-N 2.83Å
106R93.7Very high96.4Very high109 Ų10953.1 Ų53.141%0.41128%0.277SS..EExtended strand (participates in β ladder)trans-104.2144.9178.2-64.4179.3-75.6-176.1-5.2111.6K102 Y103 E104 L108K102-R106 CarbonylContact C-O 3.6Å; K102-R106 WeakPolarHBondContact CA-O 3.4Å; Y103-R106 PolarHBondContact N-O 2.8Å; Y103-R106 PolarHBondContact O-N 3.38Å; E104-R106 PolarHBondContact O-N 2.96Å; E104-R106 IonicContact OE2-NH2 3.37Å; E104-R106 PolarHBondContact OE2-NH2 3.21Å; R106-L108 HydrophobicContact CB-CG 4.27Å
107E96Very high96.4Very high124 Ų12444.9 Ų44.958%0.57924%0.238SC*.EExtended strand (participates in β ladder)trans-87117.5169.5-66.5-173.316000109.4V101 K102V101-E107 WeakPolarHBondContact O-CA 3.37Å; K102-E107 WeakPolarHBondContact CE-OE1 3.39Å; K102-E107 HydrophobicContact CG-CG 4.22Å; K102-E107 IonicContact NZ-OE1 4Å
108L97.3Very high96.5Very high11 Ų1143 Ų436%0.05823%0.227CC..EExtended strand (participates in β ladder)trans-131.3171.6-177.8-61.7175.3000109.6L89 P91 M100 V101 Y103 R106L89-L108 HydrophobicContact CB-CB 4.31Å; L89-L108 HydrophobicContact CB-CD1 3.9Å; L89-L108 HydrophobicContact CD1-CD1 3.96Å; P91-L108 HydrophobicContact CB-CD2 3.98Å; M100-L108 CarbonylContact C-O 3.16Å; M100-L108 WeakPolarHBondContact CA-O 3.11Å; V101-L108 HydrophobicContact CG2-CB 4.31Å; V101-L108 PolarHBondContact N-O 3.46Å; V101-L108 PolarHBondContact O-N 3.04Å; Y103-L108 HydrophobicContact CD1-CD1 4.42Å; R106-L108 HydrophobicContact CB-CG 4.27Å
109H98.2Very high96.4Very high30 Ų3043.7 Ų43.714%0.13923%0.225CC..EExtended strand (participates in β ladder)trans-111.3122.3175.3-59.887000109.5L89 S90 P91 V99 L111L89-H109 WeakPolarHBondContact CA-O 3.46Å; S90-H109 PolarHBondContact N-O 3.1Å; S90-H109 WeakPolarHBondContact O-CB 3.26Å; S90-H109 PolarHBondContact O-N 2.99Å; S90-H109 PolarHBondContact O-ND1 2.88Å; P91-H109 PolarHBondContact O-ND1 3.47Å; V99-H109 CarbonylContact O-C 3.58Å; V99-H109 WeakPolarHBondContact O-CA 3.47Å; H109-L111 HydrophobicContact CB-CD1 4.39Å; H109-L111 HydrophobicContact CB-CG 4.19Å; H109-L111 PolarHBondContact O-N 3.16Å
110L98.5Very high96.3Very high6 Ų645.7 Ų45.73%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-76.2113.7168.4-179.967.6000108.9V53 L57 F87 L89 G98 V99 V101 L145V53-L110 HydrophobicContact CG1-CD2 4.22Å; V53-L110 HydrophobicContact CG2-CD1 4.3Å; L57-L110 HydrophobicContact CD1-CD2 4.31Å; L57-L110 HydrophobicContact CD2-CD2 3.95Å; L57-L110 HydrophobicContact CG-CD2 3.87Å; F87-L110 HydrophobicContact CB-CD1 3.95Å; F87-L110 HydrophobicContact CD1-CD1 3.9Å; F87-L110 HydrophobicContact CD1-CG 4.08Å; F87-L110 HydrophobicContact CG-CD1 4.13Å; L89-L110 HydrophobicContact CD2-CB 4.22Å; L89-L110 HydrophobicContact CD2-CD1 3.95Å; G98-L110 VanDerWaalsContact CA-O 3.3Å; G98-L110 WeakPolarHBondContact CA-O 3.39Å; V99-L110 HydrophobicContact CB-CB 4.49Å; V99-L110 PolarHBondContact N-O 3.32Å; V99-L110 VanDerWaalsContact N-O 3.12Å; V99-L110 PolarHBondContact O-N 3.5Å; V101-L110 HydrophobicContact CG1-CB 3.85Å; V101-L110 HydrophobicContact CG2-CB 4.44Å; L110-L145 HydrophobicContact CD1-CD1 3.53Å
111L98.4Very high96Very high4 Ų444.5 Ų44.52%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-124.8161.3-174.8-65.7165.1000110.7I68 F87 F88 V92 H94 H109I68-L111 HydrophobicContact CG2-CB 4.26Å; I68-L111 HydrophobicContact CG2-CD2 3.88Å; F87-L111 CarbonylContact C-O 3.45Å; F87-L111 VanDerWaalsContact CA-O 3.24Å; F87-L111 WeakPolarHBondContact CA-O 3.2Å; F87-L111 WeakPolarHBondContact CD1-O 3.22Å; F88-L111 HydrophobicContact CD1-CB 4Å; F88-L111 HydrophobicContact CE1-CB 3.46Å; F88-L111 VanDerWaalsContact CE1-CB 3.46Å; F88-L111 HydrophobicContact CE1-CD1 4.42Å; F88-L111 HydrophobicContact CE2-CB 4.09Å; F88-L111 HydrophobicContact CE2-CD1 3.74Å; F88-L111 HydrophobicContact CZ-CB 3.53Å; F88-L111 HydrophobicContact CZ-CD1 3.63Å; F88-L111 HydrophobicContact CZ-CG 4.27Å; F88-L111 PolarHBondContact N-O 3.21Å; F88-L111 PolarHBondContact O-N 2.9Å; V92-L111 WeakPolarHBondContact O-CD1 3.2Å; H94-L111 HydrophobicContact CB-CD1 4.05Å; H109-L111 HydrophobicContact CB-CD1 4.39Å; H109-L111 HydrophobicContact CB-CG 4.19Å; H109-L111 PolarHBondContact O-N 3.16Å
112A98.4Very high95.7Very high2 Ų247.9 Ų47.92%0.01724%0.244CC..EExtended strand (participates in β ladder)trans-130.4145.4-17800000112.9V65 C67 I68 L74 I83 T86 F87V65-A112 HydrophobicContact CB-CB 4.28Å; V65-A112 HydrophobicContact CG2-CB 3.67Å; C67-A112 WeakPolarHBondContact CA-O 2.95Å; I68-A112 PolarHBondContact N-O 2.92Å; L74-A112 HydrophobicContact CD1-CB 4.42Å; I83-A112 HydrophobicContact CD1-CB 3.73Å; T86-A112 WeakPolarHBondContact O-CA 3.43Å; F87-A112 HydrophobicContact CD1-CB 4.01Å; F87-A112 HydrophobicContact CE1-CB 4.01Å
113I97.8Very high95.5Very high0 Ų044.1 Ų44.10%023%0.228CC..EExtended strand (participates in β ladder)trans-124130.6164.1-55.9-171.4000108.7I68 L69 G85 T86 F88 C117 L118 F135 I150 L151I68-I113 HydrophobicContact CD1-CD1 4.31Å; I68-I113 HydrophobicContact CD1-CG1 4.33Å; I68-I113 HydrophobicContact CG1-CD1 4.25Å; I68-I113 HydrophobicContact CG1-CG1 3.9Å; L69-I113 HydrophobicContact CD1-CD1 4.01Å; L69-I113 HydrophobicContact CD1-CG2 3.87Å; L69-I113 HydrophobicContact CG-CD1 4.33Å; L69-I113 HydrophobicContact CG-CG2 4.47Å; G85-I113 CarbonylContact C-O 3.57Å; G85-I113 WeakPolarHBondContact CA-O 3.47Å; T86-I113 PolarHBondContact N-O 2.87Å; T86-I113 PolarHBondContact O-N 3.12Å; F88-I113 HydrophobicContact CD1-CG1 4.43Å; F88-I113 HydrophobicContact CE1-CD1 4.19Å; F88-I113 HydrophobicContact CE1-CG1 3.84Å; I113-C117 HydrophobicContact CG2-CB 3.64Å; I113-L118 HydrophobicContact CB-CD2 4.17Å; I113-L118 HydrophobicContact CB-CG 4.18Å; I113-L118 HydrophobicContact CG2-CD2 3.97Å; I113-L118 HydrophobicContact CG2-CG 3.78Å; I113-F135 HydrophobicContact CD1-CE2 4.18Å; I113-F135 HydrophobicContact CD1-CZ 3.77Å; I113-I150 HydrophobicContact CD1-CD1 3.52Å; I113-I150 HydrophobicContact CD1-CG1 4.03Å; I113-I150 HydrophobicContact CG1-CD1 4.02Å; I113-L151 HydrophobicContact CD1-CD2 4Å
114C97.6Very high95.4Very high4 Ų441.6 Ų41.63%0.02722%0.218CC..EExtended strand (participates in β ladder)trans-70154.9177.271.80000111.5C67 L74 D84 C116 C117 L118C67-C114 HydrophobicContact CB-CB 3.98Å; C67-C114 PolarHBondContact SG-N 3.38Å; L74-C114 HydrophobicContact CD1-CB 3.84Å; L74-C114 HydrophobicContact CD2-CB 3.7Å; L74-C114 HydrophobicContact CG-CB 4.3Å; D84-C114 WeakPolarHBondContact O-CA 3.4Å; C114-C116 PolarHBondContact O-N 2.84Å; C114-C116 VanDerWaalsContact O-N 3.13Å; C114-C117 PolarHBondContact O-N 3.29Å; C114-C117 VanDerWaalsContact O-N 3.08Å; C114-C117 PolarHBondContact SG-N 2.84Å; C114-L118 WeakPolarHBondContact O-CG 3.37Å; C114-L118 PolarHBondContact O-N 3.46Å
115M96.7Very high95.5Very high16 Ų1635.3 Ų35.38%0.07919%0.19CC..Hα-helixtrans-55.8-33176.367.4-179.9178.900111.6A21 Y25 D84 C117 L118 E119 L142A21-M115 HydrophobicContact CB-CE 4.22Å; A21-M115 WeakPolarHBondContact O-CE 3.48Å; Y25-M115 HydrophobicContact CD1-CE 3.98Å; Y25-M115 HydrophobicContact CD1-CG 3.85Å; Y25-M115 HydrophobicContact CD1-SD 3.92Å; Y25-M115 HydrophobicContact CE1-CG 4.28Å; Y25-M115 HydrophobicContact CG-CE 3.75Å; Y25-M115 HydrophobicContact CG-SD 4.26Å; D84-M115 HydrophobicContact CB-CE 4.39Å; D84-M115 HydrophobicContact CB-SD 4.35Å; D84-M115 PolarHBondContact O-N 2.82Å; M115-C117 PolarHBondContact O-N 2.9Å; M115-L118 PolarHBondContact O-N 3.45Å; M115-E119 WeakPolarHBondContact O-CG 3.48Å; M115-E119 PolarHBondContact O-N 2.79Å; M115-L142 HydrophobicContact CB-CD1 4.31Å; M115-L142 HydrophobicContact CB-CD2 4.05Å
116C95.9Very high95.6Very high43 Ų4331.4 Ų31.429%0.29115%0.149SC..Hα-helixtrans-63.9-40.3179.5-51.40000112.8Y25 C114 N120Y25-C116 HydrophobicContact CE1-CB 4.18Å; Y25-C116 HydrophobicContact CE2-CB 4.2Å; Y25-C116 VanDerWaalsContact CE2-SG 3.6Å; Y25-C116 VanDerWaalsContact CZ-SG 3.6Å; Y25-C116 VanDerWaalsContact OH-CA 3.27Å; Y25-C116 WeakPolarHBondContact OH-CA 3.4Å; Y25-C116 PolarHBondContact OH-O 3.11Å; C114-C116 PolarHBondContact O-N 2.84Å; C114-C116 VanDerWaalsContact O-N 3.13Å; C116-N120 VanDerWaalsContact O-CB 3.29Å; C116-N120 WeakPolarHBondContact O-CB 3Å; C116-N120 PolarHBondContact O-N 3.23Å; C116-N120 VanDerWaalsContact O-N 3.16Å; C116-N120 PolarHBondContact O-ND2 3.34Å
117C95.9Very high95.6Very high2 Ų230.6 Ų30.61%0.01416%0.156CC..Hα-helixtrans-77.9-29.5176.6-68.20000112.3L69 C70 I113 C114 M115L69-C117 HydrophobicContact CB-CB 4.07Å; L69-C117 HydrophobicContact CD1-CB 3.71Å; L69-C117 HydrophobicContact CG-CB 4.49Å; C70-C117 VanDerWaalsContact CB-SG 3.58Å; C70-C117 VanDerWaalsContact SG-SG 3.67Å; I113-C117 HydrophobicContact CG2-CB 3.64Å; C114-C117 PolarHBondContact O-N 3.29Å; C114-C117 VanDerWaalsContact O-N 3.08Å; C114-C117 PolarHBondContact SG-N 2.84Å; M115-C117 PolarHBondContact O-N 2.9Å
118L96.1Very high95.4Very high0 Ų031.5 Ų31.50%015%0.154CC..Hα-helixtrans-65.1-47.8174.1-69.3167.6000111.2I113 C114 M115 F135 G137 N138 L140 L142 I150I113-L118 HydrophobicContact CB-CD2 4.17Å; I113-L118 HydrophobicContact CB-CG 4.18Å; I113-L118 HydrophobicContact CG2-CD2 3.97Å; I113-L118 HydrophobicContact CG2-CG 3.78Å; C114-L118 WeakPolarHBondContact O-CG 3.37Å; C114-L118 PolarHBondContact O-N 3.46Å; M115-L118 PolarHBondContact O-N 3.45Å; L118-F135 HydrophobicContact CD2-CE1 4.24Å; L118-F135 HydrophobicContact CD2-CZ 3.77Å; L118-G137 CarbonylContact O-C 3.54Å; L118-G137 WeakPolarHBondContact O-CA 3.24Å; L118-N138 PolarHBondContact O-N 3.12Å; L118-L140 HydrophobicContact CD2-CD1 3.96Å; L118-L142 HydrophobicContact CB-CD2 4.45Å; L118-L142 HydrophobicContact CD1-CD2 3.39Å; L118-I150 HydrophobicContact CD2-CD1 4.49Å
119E95Very high95.2Very high32 Ų3234.1 Ų34.115%0.1517%0.173CC..Hα-helixtrans-70.9-40.6-179.8-64.8-40.6109.500113Y25 L26 K30 M115 R121Y25-E119 HydrophobicContact CD1-CG 4.5Å; Y25-E119 HydrophobicContact CE1-CB 4.04Å; Y25-E119 HydrophobicContact CE1-CG 3.9Å; L26-E119 HydrophobicContact CD2-CG 3.52Å; K30-E119 IonicContact NZ-OE1 2.84Å; K30-E119 PolarHBondContact NZ-OE1 3.16Å; K30-E119 IonicContact NZ-OE2 2.7Å; K30-E119 PolarHBondContact NZ-OE2 2.99Å; M115-E119 WeakPolarHBondContact O-CG 3.48Å; M115-E119 PolarHBondContact O-N 2.79Å; E119-R121 PolarHBondContact O-N 3.4Å
120N94Very high95Very high50 Ų5034.6 Ų34.627%0.26719%0.186SC..THydrogen-bonded Turntrans-84.341.9-179.5-66.9-54.5000112.6Y25 C116 D122 K123Y25-N120 PolarHBondContact OH-ND2 3.25Å; C116-N120 VanDerWaalsContact O-CB 3.29Å; C116-N120 WeakPolarHBondContact O-CB 3Å; C116-N120 PolarHBondContact O-N 3.23Å; C116-N120 VanDerWaalsContact O-N 3.16Å; C116-N120 PolarHBondContact O-ND2 3.34Å; N120-D122 WeakPolarHBondContact CA-OD1 3.38Å; N120-D122 PolarHBondContact O-N 3.43Å; N120-K123 HydrophobicContact CB-CB 4.42Å; N120-K123 HydrophobicContact CB-CG 3.9Å; N120-K123 WeakPolarHBondContact O-CB 3.21Å; N120-K123 PolarHBondContact O-N 3.49Å
121R91.6Very high94.8Very high65 Ų6535.7 Ų35.725%0.24519%0.194CC..G310 helixtrans-59.7-27.9179.664.5150.4-171.9-146.4-0.2112.8E119 K123 L124 F135 N138E119-R121 PolarHBondContact O-N 3.4Å; R121-K123 PolarHBondContact O-N 3.11Å; R121-L124 WeakPolarHBondContact O-CB 3.45Å; R121-L124 PolarHBondContact O-N 2.95Å; R121-F135 HydrophobicContact CB-CD1 3.74Å; R121-F135 WeakPolarHBondContact CD-O 3.4Å; R121-N138 HydrophobicContact CG-CB 4.47Å; R121-N138 PolarHBondContact NE-OD1 3Å; R121-N138 PolarHBondContact NH1-OD1 3.2Å
122D91.4Very high94.6Very high74 Ų7439.1 Ų39.140%0.39621%0.21SC..G310 helixtrans-65.3-17.4175.566.5-58000112.2N120 L124 H132N120-D122 WeakPolarHBondContact CA-OD1 3.38Å; N120-D122 PolarHBondContact O-N 3.43Å; D122-L124 VanDerWaalsContact C-N 3.28Å; D122-H132 PolarHBondContact O-CE1 3.41Å; D122-H132 VanDerWaalsContact O-CE1 3.25Å; D122-H132 PolarHBondContact O-ND1 3.25Å
123K92.8Very high94.2Very high72 Ų7242.7 Ų42.731%0.31324%0.235SC..G310 helixtrans-83.6-5.5173-53.7-55.7177.9-139.20113.1N120 R121 R204 H205N120-K123 HydrophobicContact CB-CB 4.42Å; N120-K123 HydrophobicContact CB-CG 3.9Å; N120-K123 WeakPolarHBondContact O-CB 3.21Å; N120-K123 PolarHBondContact O-N 3.49Å; R121-K123 PolarHBondContact O-N 3.11Å; K123-R204 CarbonylContact O-C 3.48Å; K123-R204 WeakPolarHBondContact O-CA 3.25Å; K123-H205 PolarHBondContact O-N 3.45Å
124L93.8Very high93.9Very high2 Ų242.7 Ų42.71%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-101.9126.9177-52.7179.3000109.5L69 R121 D122 H132 W134 F135 V202 H203 R204L69-L124 HydrophobicContact CD1-CD1 3.71Å; L69-L124 HydrophobicContact CD1-CD2 4.49Å; R121-L124 WeakPolarHBondContact O-CB 3.45Å; R121-L124 PolarHBondContact O-N 2.95Å; D122-L124 VanDerWaalsContact C-N 3.28Å; L124-H132 WeakPolarHBondContact O-CA 3.34Å; L124-H132 PolarHBondContact O-ND1 3.03Å; L124-H132 VanDerWaalsContact O-ND1 3.13Å; L124-W134 HydrophobicContact CB-CZ2 3.97Å; L124-W134 HydrophobicContact CD1-CH2 4.43Å; L124-W134 HydrophobicContact CD1-CZ2 4.3Å; L124-F135 HydrophobicContact CD1-CB 4.43Å; L124-F135 HydrophobicContact CD1-CD1 3.45Å; L124-F135 VanDerWaalsContact CD1-CD1 3.45Å; L124-F135 HydrophobicContact CD1-CE1 3.87Å; L124-F135 HydrophobicContact CD1-CG 4.09Å; L124-V202 HydrophobicContact CB-CG1 4.29Å; L124-V202 HydrophobicContact CD2-CG1 4.16Å; L124-H203 WeakPolarHBondContact CA-O 3.36Å; L124-R204 HydrophobicContact CD2-CB 3.87Å; L124-R204 HydrophobicContact CD2-CG 3.8Å
125C94.5Very high93.7Very high11 Ų1142.5 Ų42.57%0.07423%0.234CC..EExtended strand (participates in β ladder)trans-126.3148.2173.259.90000111.3V127 S131 H203 H205C125-V127 PolarHBondContact O-N 2.66Å; C125-S131 CarbonylContact C-O 3.59Å; C125-S131 WeakPolarHBondContact CA-O 3.3Å; C125-H203 PolarHBondContact N-O 3.41Å; C125-H203 PolarHBondContact O-N 2.95Å; C125-H205 PolarHBondContact SG-NE2 3.05Å; C125-H205 VanDerWaalsContact SG-NE2 3.43Å
126C94.2Very high93.5Very high2 Ų244 Ų441%0.01424%0.241CC..EExtended strand (participates in β ladder)trans-71.3125.5172.4177.70000109.4R128 G130 S131 C156 R197C126-R128 PolarHBondContact O-N 3.37Å; C126-R128 VanDerWaalsContact O-N 3.16Å; C126-R128 PolarHBondContact SG-N 3.16Å; C126-R128 VanDerWaalsContact SG-N 3.4Å; C126-G130 VanDerWaalsContact O-CA 3.22Å; C126-G130 WeakPolarHBondContact O-CA 3.42Å; C126-G130 PolarHBondContact O-N 2.72Å; C126-S131 PolarHBondContact N-O 3.47Å; C126-C156 VanDerWaalsContact CB-SG 3.55Å; C126-R197 PolarHBondContact SG-NH1 2.91Å
127V93.1Very high93.5Very high92 Ų9241.9 Ų41.956%0.55823%0.228SC*.THydrogen-bonded Turntrans-58.9-29.8177.5174.20000112.1C125 S201 H203C125-V127 PolarHBondContact O-N 2.66Å; V127-S201 PolarHBondContact N-O 3.34Å; V127-H203 HydrophobicContact CG2-CB 3.94Å
128R92.2Very high93.4Very high143 Ų14343.5 Ų43.554%0.5424%0.236SC..THydrogen-bonded Turntrans-79-47.1-176.2-167.7-172.7-60.5177.21.3113.8C126 Q158C126-R128 PolarHBondContact O-N 3.37Å; C126-R128 VanDerWaalsContact O-N 3.16Å; C126-R128 PolarHBondContact SG-N 3.16Å; C126-R128 VanDerWaalsContact SG-N 3.4Å; R128-Q158 PolarHBondContact NH1-O 2.65Å
129C94.3Very high93.3Very high66 Ų6650.3 Ų50.345%0.44627%0.266SS..THydrogen-bonded Turntrans-119.7-1-173.871.70000114.7S131 C156 C157C129-S131 PolarHBondContact O-N 3.12Å; C129-S131 VanDerWaalsContact O-N 3.16Å; C129-S131 WeakPolarHBondContact SG-CB 3.42Å; C129-C156 PolarHBondContact SG-SG 3.07Å; C129-C157 PolarHBondContact SG-SG 3.29Å
130G93.9Very high93.3Very high41 Ų4149.4 Ų49.442%0.42326%0.262SS..  trans71.9-1.8-176.900000115.1C126 H132C126-G130 VanDerWaalsContact O-CA 3.22Å; C126-G130 WeakPolarHBondContact O-CA 3.42Å; C126-G130 PolarHBondContact O-N 2.72Å; G130-H132 PolarHBondContact O-CD2 3.02Å
131S94.2Very high93.4Very high28 Ų2849.1 Ų49.120%0.19626%0.262CS..  trans-63.4141.3-177.8176.40000112.6C125 C126 C129 S133C125-S131 CarbonylContact C-O 3.59Å; C125-S131 WeakPolarHBondContact CA-O 3.3Å; C126-S131 PolarHBondContact N-O 3.47Å; C129-S131 PolarHBondContact O-N 3.12Å; C129-S131 VanDerWaalsContact O-N 3.16Å; C129-S131 WeakPolarHBondContact SG-CB 3.42Å; S131-S133 PolarHBondContact OG-N 3.43Å; S131-S133 VanDerWaalsContact OG-N 3.12Å; S131-S133 PolarHBondContact OG-OG 2.91Å
132H93.4Very high93.6Very high77 Ų7746 Ų4636%0.35625%0.25SC..SBendtrans-103.8-3172.6-63-107.7000113D122 L124 G130D122-H132 PolarHBondContact O-CE1 3.41Å; D122-H132 VanDerWaalsContact O-CE1 3.25Å; D122-H132 PolarHBondContact O-ND1 3.25Å; L124-H132 WeakPolarHBondContact O-CA 3.34Å; L124-H132 PolarHBondContact O-ND1 3.03Å; L124-H132 VanDerWaalsContact O-ND1 3.13Å; G130-H132 PolarHBondContact O-CD2 3.02Å
133S90.7Very high93.7Very high77 Ų7742.5 Ų42.554%0.53823%0.231SC..THydrogen-bonded Turntrans-87.8-8.2-173.361.90000114.4S131 F135S131-S133 PolarHBondContact OG-N 3.43Å; S131-S133 VanDerWaalsContact OG-N 3.12Å; S131-S133 PolarHBondContact OG-OG 2.91Å; S133-F135 VanDerWaalsContact C-N 3.29Å; S133-F135 PolarHBondContact O-N 3.43Å
134W91.2Very high93.6Very high0 Ų040.2 Ų40.20%022%0.223CC..THydrogen-bonded Turntrans-70.7-22.1-175.969.5-93.9000113.8L124 L151 V154 C156 R197 V202L124-W134 HydrophobicContact CB-CZ2 3.97Å; L124-W134 HydrophobicContact CD1-CH2 4.43Å; L124-W134 HydrophobicContact CD1-CZ2 4.3Å; W134-L151 HydrophobicContact CH2-CD2 4.05Å; W134-L151 HydrophobicContact CZ3-CB 4.21Å; W134-L151 HydrophobicContact CZ3-CD2 3.95Å; W134-V154 WeakPolarHBondContact CA-O 3.37Å; W134-V154 VanDerWaalsContact CB-O 3.28Å; W134-V154 WeakPolarHBondContact CB-O 3.22Å; W134-V154 WeakPolarHBondContact O-CB 3.33Å; W134-C156 HydrophobicContact CB-CB 3.92Å; W134-R197 VanDerWaalsContact CE3-CD 3.45Å; W134-R197 VanDerWaalsContact CE3-NE 3.29Å; W134-R197 VanDerWaalsContact CZ3-CD 3.45Å; W134-V202 HydrophobicContact CH2-CG1 4.24Å; W134-V202 HydrophobicContact CH2-CG2 3.63Å; W134-V202 HydrophobicContact CZ2-CB 4.27Å; W134-V202 HydrophobicContact CZ2-CG1 3.72Å; W134-V202 HydrophobicContact CZ2-CG2 3.57Å
135F93.6Very high93.7Very high0 Ų041.2 Ų41.20%023%0.228CC..  trans-105.5121.3-177.8-170.2-128.1000111.3L69 I113 L118 R121 L124 S133 G137 I150 L151L69-F135 HydrophobicContact CD1-CE1 4.37Å; I113-F135 HydrophobicContact CD1-CE2 4.18Å; I113-F135 HydrophobicContact CD1-CZ 3.77Å; L118-F135 HydrophobicContact CD2-CE1 4.24Å; L118-F135 HydrophobicContact CD2-CZ 3.77Å; R121-F135 HydrophobicContact CB-CD1 3.74Å; R121-F135 WeakPolarHBondContact CD-O 3.4Å; L124-F135 HydrophobicContact CD1-CB 4.43Å; L124-F135 HydrophobicContact CD1-CD1 3.45Å; L124-F135 VanDerWaalsContact CD1-CD1 3.45Å; L124-F135 HydrophobicContact CD1-CE1 3.87Å; L124-F135 HydrophobicContact CD1-CG 4.09Å; S133-F135 VanDerWaalsContact C-N 3.29Å; S133-F135 PolarHBondContact O-N 3.43Å; F135-G137 VanDerWaalsContact C-N 3.32Å; F135-G137 PolarHBondContact O-N 3.46Å; F135-I150 HydrophobicContact CE2-CG1 4.42Å; F135-L151 HydrophobicContact CD2-CD2 4.04Å; F135-L151 HydrophobicContact CE2-CD2 3.75Å; F135-L151 HydrophobicContact CZ-CD2 4.46Å
136L92.4Very high93.8Very high46 Ų4642.4 Ų42.424%0.24123%0.232CC..  trans-93.221.1179.8-63.6-177.5000113.5N138 K139 L140 V154 F176L136-N138 VanDerWaalsContact C-N 3.32Å; L136-N138 PolarHBondContact O-N 2.81Å; L136-N138 VanDerWaalsContact O-N 3.1Å; L136-K139 HydrophobicContact CB-CB 4.48Å; L136-K139 WeakPolarHBondContact O-CA 3.47Å; L136-K139 WeakPolarHBondContact O-CB 3.48Å; L136-K139 PolarHBondContact O-N 2.8Å; L136-L140 PolarHBondContact O-N 2.81Å; L136-V154 HydrophobicContact CD1-CG2 3.39Å; L136-V154 HydrophobicContact CD2-CG2 4.07Å; L136-V154 HydrophobicContact CG-CG2 3.53Å; L136-F176 HydrophobicContact CD1-CZ 4.33Å
137G94.6Very high93.8Very high0 Ų045 Ų450%025%0.25CC..G310 helixtrans-45.3-48.9-172.200000115.1L118 F135 K139 L140L118-G137 CarbonylContact O-C 3.54Å; L118-G137 WeakPolarHBondContact O-CA 3.24Å; F135-G137 VanDerWaalsContact C-N 3.32Å; F135-G137 PolarHBondContact O-N 3.46Å; G137-K139 PolarHBondContact O-N 2.79Å; G137-K139 VanDerWaalsContact O-N 3.12Å; G137-L140 WeakPolarHBondContact O-CB 3.26Å; G137-L140 PolarHBondContact O-N 2.97Å
138N94.1Very high93.9Very high36 Ų3642 Ų4219%0.19323%0.229CC..G310 helixtrans-71.9-4.4-178.477.6-25.6000114.5K30 L118 R121 L136K30-N138 PolarHBondContact NZ-O 2.81Å; L118-N138 PolarHBondContact O-N 3.12Å; R121-N138 HydrophobicContact CG-CB 4.47Å; R121-N138 PolarHBondContact NE-OD1 3Å; R121-N138 PolarHBondContact NH1-OD1 3.2Å; L136-N138 VanDerWaalsContact C-N 3.32Å; L136-N138 PolarHBondContact O-N 2.81Å; L136-N138 VanDerWaalsContact O-N 3.1Å
139K94.2Very high94.1Very high143 Ų14335.2 Ų35.262%0.62220%0.203SC*.G310 helixtrans-101.4-8.2173-58.8-59.3-174176.10112.4L136 G137L136-K139 HydrophobicContact CB-CB 4.48Å; L136-K139 WeakPolarHBondContact O-CA 3.47Å; L136-K139 WeakPolarHBondContact O-CB 3.48Å; L136-K139 PolarHBondContact O-N 2.8Å; G137-K139 PolarHBondContact O-N 2.79Å; G137-K139 VanDerWaalsContact O-N 3.12Å
140L95.5Very high94.2Very high13 Ų1332.2 Ų32.27%0.06818%0.183CC..SBendtrans-78.5145177.3-58.4-179.4000110.4L118 L136 G137 Y146 I150L118-L140 HydrophobicContact CD2-CD1 3.96Å; L136-L140 PolarHBondContact O-N 2.81Å; G137-L140 WeakPolarHBondContact O-CB 3.26Å; G137-L140 PolarHBondContact O-N 2.97Å; L140-Y146 WeakPolarHBondContact CA-OH 3.41Å; L140-Y146 HydrophobicContact CB-CE2 3.84Å; L140-Y146 HydrophobicContact CD1-CE2 4.36Å; L140-Y146 HydrophobicContact CD2-CE1 4.06Å; L140-Y146 HydrophobicContact CD2-CE2 4.04Å; L140-Y146 HydrophobicContact CG-CE2 4.28Å; L140-I150 HydrophobicContact CD1-CB 3.91Å; L140-I150 HydrophobicContact CD1-CD1 3.81Å; L140-I150 HydrophobicContact CD1-CG1 4.42Å; L140-I150 HydrophobicContact CD1-CG2 3.95Å
141V95.1Very high94.1Very high43 Ų4330.3 Ų30.326%0.26116%0.163SC..PPolyproline II helixtrans-68.9131.2169.8179.10000107.7N35 K37 T86 T144 Y146N35-V141 CarbonylContact O-C 3.31Å; N35-V141 WeakPolarHBondContact O-CA 3.39Å; K37-V141 HydrophobicContact CB-CG1 4.12Å; T86-V141 PolarHBondContact OG1-O 3.43Å; V141-T144 HydrophobicContact CB-CG2 4.02Å; V141-T144 HydrophobicContact CG1-CG2 4.1Å; V141-Y146 PolarHBondContact N-OH 2.93Å
142L96Very high93.9Very high0 Ų029.2 Ų29.20%016%0.155CC..BIsolated β-bridgetrans-82.7150.4176.6-63.6171.7000110.9F22 L26 N35 I36 K37 T86 M115 L118 T144F22-L142 HydrophobicContact CD1-CD1 4.23Å; F22-L142 HydrophobicContact CE1-CB 3.9Å; F22-L142 HydrophobicContact CE1-CD1 4.05Å; L26-L142 HydrophobicContact CD1-CD1 3.38Å; L26-L142 HydrophobicContact CD2-CD1 3.9Å; L26-L142 HydrophobicContact CG-CD1 4.28Å; N35-L142 PolarHBondContact O-N 3.02Å; I36-L142 HydrophobicContact CG1-CB 4.38Å; I36-L142 HydrophobicContact CG1-CD1 4.45Å; K37-L142 PolarHBondContact N-O 3.05Å; T86-L142 VanDerWaalsContact OG1-CA 3.25Å; T86-L142 WeakPolarHBondContact OG1-CA 3.2Å; M115-L142 HydrophobicContact CB-CD1 4.31Å; M115-L142 HydrophobicContact CB-CD2 4.05Å; L118-L142 HydrophobicContact CB-CD2 4.45Å; L118-L142 HydrophobicContact CD1-CD2 3.39Å; L142-T144 VanDerWaalsContact C-N 3.31Å; L142-T144 PolarHBondContact O-N 3.38Å
143G93.7Very high93.2Very high0 Ų025.9 Ų25.90%014%0.141CC..THydrogen-bonded Turntrans82.51.817300000115.3Y80 G85 T86Y80-G143 WeakPolarHBondContact CD1-O 3.19Å; Y80-G143 WeakPolarHBondContact CE1-O 3.49Å; G85-G143 WeakPolarHBondContact O-CA 3.29Å; G85-G143 PolarHBondContact O-N 2.74Å; T86-G143 PolarHBondContact OG1-N 3.31Å
144T92Very high93Very high24 Ų2424.3 Ų24.315%0.14713%0.128CC..SBendtrans-110.3-174.5-176.1-162.70000112.5F87 V141 L142 Y146F87-T144 PolarHBondContact N-O 2.68Å; V141-T144 HydrophobicContact CB-CG2 4.02Å; V141-T144 HydrophobicContact CG1-CG2 4.1Å; L142-T144 VanDerWaalsContact C-N 3.31Å; L142-T144 PolarHBondContact O-N 3.38Å; T144-Y146 HydrophobicContact CG2-CD2 4.28Å; T144-Y146 HydrophobicContact CG2-CE2 3.85Å
145L95.7Very high92.8Very high23 Ų2326.6 Ų26.612%0.1214%0.143CC..EExtended strand (participates in β ladder)trans-116.3125.7173177.866.8000109.9T49 F52 V53 F87 L89 L110T49-L145 HydrophobicContact CG2-CB 3.59Å; T49-L145 HydrophobicContact CG2-CD2 4.1Å; T49-L145 HydrophobicContact CG2-CG 4.47Å; F52-L145 HydrophobicContact CD1-CD2 3.72Å; F52-L145 HydrophobicContact CE1-CD2 3.81Å; V53-L145 HydrophobicContact CG2-CB 4.35Å; V53-L145 HydrophobicContact CG2-CD1 4.43Å; V53-L145 HydrophobicContact CG2-CD2 3.99Å; F87-L145 HydrophobicContact CB-CB 4.44Å; F87-L145 HydrophobicContact CB-CD1 3.6Å; F87-L145 WeakPolarHBondContact O-CA 3.43Å; L89-L145 HydrophobicContact CD2-CD1 4.07Å; L89-L145 HydrophobicContact CG-CD1 4.04Å; L89-L145 HydrophobicContact CG-CD2 4.48Å; L110-L145 HydrophobicContact CD1-CD1 3.53Å
146Y96Very high92.7Very high37 Ų3728.2 Ų28.215%0.14515%0.154CC..EExtended strand (participates in β ladder)trans-93130.8165.8-73.2-84.1000111T86 F87 F88 L89 L140 V141 T144 Y148 I150T86-Y146 HydrophobicContact CG2-CD2 3.45Å; T86-Y146 VanDerWaalsContact CG2-CD2 3.45Å; T86-Y146 HydrophobicContact CG2-CE2 3.67Å; F87-Y146 PolarHBondContact O-N 3.49Å; F88-Y146 CarbonylContact C-O 3.5Å; F88-Y146 WeakPolarHBondContact CA-O 3.43Å; L89-Y146 PolarHBondContact N-O 3.05Å; L140-Y146 WeakPolarHBondContact CA-OH 3.41Å; L140-Y146 HydrophobicContact CB-CE2 3.84Å; L140-Y146 HydrophobicContact CD1-CE2 4.36Å; L140-Y146 HydrophobicContact CD2-CE1 4.06Å; L140-Y146 HydrophobicContact CD2-CE2 4.04Å; L140-Y146 HydrophobicContact CG-CE2 4.28Å; V141-Y146 PolarHBondContact N-OH 2.93Å; T144-Y146 HydrophobicContact CG2-CD2 4.28Å; T144-Y146 HydrophobicContact CG2-CE2 3.85Å; Y146-Y148 HydrophobicContact CD1-CD1 4.4Å; Y146-Y148 AromaticContact CD1-CE1 3.48Å; Y146-Y148 HydrophobicContact CD1-CE1 3.48Å; Y146-Y148 VanDerWaalsContact CD1-CE1 3.48Å; Y146-Y148 HydrophobicContact CD1-CE2 4.45Å; Y146-Y148 AromaticContact CD1-CZ 3.5Å; Y146-Y148 VanDerWaalsContact CD1-CZ 3.5Å; Y146-Y148 VanDerWaalsContact CD1-OH 3.29Å; Y146-Y148 WeakPolarHBondContact CD1-OH 3.38Å; Y146-Y148 HydrophobicContact CE1-CE1 4.29Å; Y146-Y148 WeakPolarHBondContact CE1-OH 3.39Å; Y146-Y148 HydrophobicContact CG-CE1 4.29Å; Y146-Y148 PolarHBondContact O-N 3.44Å; Y146-I150 HydrophobicContact CD2-CG2 4.07Å; Y146-I150 HydrophobicContact CG-CG2 3.89Å
147S94.8Very high92.6Very high56 Ų5627.4 Ų27.439%0.39215%0.152SC..SBendtrans-82.419.9178.254.40000114
148Y95.1Very high92.4Very high30 Ų3031.7 Ų31.712%0.11817%0.172CC..SBendtrans-144161.3177.962.4-95.5000110.8L89 Y146 I150 A153 F176L89-Y148 CarbonylContact O-C 3.58Å; Y146-Y148 HydrophobicContact CD1-CD1 4.4Å; Y146-Y148 AromaticContact CD1-CE1 3.48Å; Y146-Y148 HydrophobicContact CD1-CE1 3.48Å; Y146-Y148 VanDerWaalsContact CD1-CE1 3.48Å; Y146-Y148 HydrophobicContact CD1-CE2 4.45Å; Y146-Y148 AromaticContact CD1-CZ 3.5Å; Y146-Y148 VanDerWaalsContact CD1-CZ 3.5Å; Y146-Y148 VanDerWaalsContact CD1-OH 3.29Å; Y146-Y148 WeakPolarHBondContact CD1-OH 3.38Å; Y146-Y148 HydrophobicContact CE1-CE1 4.29Å; Y146-Y148 WeakPolarHBondContact CE1-OH 3.39Å; Y146-Y148 HydrophobicContact CG-CE1 4.29Å; Y146-Y148 PolarHBondContact O-N 3.44Å; Y148-I150 HydrophobicContact CD2-CG2 4.29Å; Y148-I150 HydrophobicContact CE2-CG2 3.9Å; Y148-I150 PolarHBondContact O-N 2.97Å; Y148-I150 VanDerWaalsContact O-N 3.14Å; Y148-A153 HydrophobicContact CE2-CB 4.46Å; Y148-F176 HydrophobicContact CD1-CB 4.24Å; Y148-F176 HydrophobicContact CD2-CB 3.78Å; Y148-F176 HydrophobicContact CE1-CB 4.14Å; Y148-F176 HydrophobicContact CE2-CB 3.7Å; Y148-F176 HydrophobicContact CE2-CD2 4.48Å; Y148-F176 HydrophobicContact CE2-CG 4.19Å; Y148-F176 HydrophobicContact CG-CB 4.07Å
149D95.7Very high92.3Very high0 Ų030.7 Ų30.70%017%0.167CC..  trans-72.5107.7177.7-167.4-41.5000110.3L89 S90 H94 L151 A152 T180 I196L89-D149 PolarHBondContact O-N 3.32Å; L89-D149 VanDerWaalsContact O-N 3.16Å; S90-D149 WeakPolarHBondContact CB-OD2 3.28Å; S90-D149 PolarHBondContact OG-OD2 3.36Å; H94-D149 IonicContact CD2-OD2 2.58Å; H94-D149 PolarHBondContact CD2-OD2 2.98Å; H94-D149 IonicContact CE1-OD2 2.82Å; H94-D149 IonicContact NE2-OD1 3.85Å; H94-D149 IonicContact NE2-OD2 3.23Å; H94-D149 PolarHBondContact NE2-OD2 2.87Å; D149-L151 PolarHBondContact O-N 2.84Å; D149-L151 VanDerWaalsContact O-N 3.16Å; D149-L151 WeakPolarHBondContact OD1-CA 3.41Å; D149-L151 VanDerWaalsContact OD1-CB 3.26Å; D149-L151 WeakPolarHBondContact OD1-CB 3.29Å; D149-L151 PolarHBondContact OD1-N 3.16Å; D149-A152 HydrophobicContact CB-CB 4.12Å; D149-A152 WeakPolarHBondContact O-CB 3.38Å; D149-A152 PolarHBondContact O-N 3.14Å; D149-T180 HydrophobicContact CB-CG2 4.01Å; D149-T180 PolarHBondContact N-OG1 3.17Å; D149-I196 HydrophobicContact CB-CD1 4.2Å; D149-I196 HydrophobicContact CB-CG1 4.28Å; D149-I196 WeakPolarHBondContact OD2-CG2 3.46Å
150I95.5Very high92.2Very high3 Ų327.8 Ų27.82%0.01516%0.156CC..THydrogen-bonded Turntrans-68.2-12.8-176.963.5176.5000113.5F88 I113 L118 F135 L140 Y146 Y148F88-I150 HydrophobicContact CB-CD1 4.25Å; F88-I150 HydrophobicContact CB-CG1 4.21Å; F88-I150 HydrophobicContact CB-CG2 3.83Å; F88-I150 HydrophobicContact CD1-CD1 3.59Å; F88-I150 HydrophobicContact CD1-CG1 3.78Å; F88-I150 HydrophobicContact CD2-CG1 3.97Å; F88-I150 HydrophobicContact CE1-CD1 4.05Å; F88-I150 HydrophobicContact CE1-CG1 4.07Å; F88-I150 HydrophobicContact CE2-CG1 4.21Å; F88-I150 HydrophobicContact CG-CD1 3.92Å; F88-I150 HydrophobicContact CG-CG1 3.71Å; F88-I150 HydrophobicContact CG-CG2 4.25Å; F88-I150 HydrophobicContact CZ-CG1 4.25Å; I113-I150 HydrophobicContact CD1-CD1 3.52Å; I113-I150 HydrophobicContact CD1-CG1 4.03Å; I113-I150 HydrophobicContact CG1-CD1 4.02Å; L118-I150 HydrophobicContact CD2-CD1 4.49Å; F135-I150 HydrophobicContact CE2-CG1 4.42Å; L140-I150 HydrophobicContact CD1-CB 3.91Å; L140-I150 HydrophobicContact CD1-CD1 3.81Å; L140-I150 HydrophobicContact CD1-CG1 4.42Å; L140-I150 HydrophobicContact CD1-CG2 3.95Å; Y146-I150 HydrophobicContact CD2-CG2 4.07Å; Y146-I150 HydrophobicContact CG-CG2 3.89Å; Y148-I150 HydrophobicContact CD2-CG2 4.29Å; Y148-I150 HydrophobicContact CE2-CG2 3.9Å; Y148-I150 PolarHBondContact O-N 2.97Å; Y148-I150 VanDerWaalsContact O-N 3.14Å
151L93.3Very high92.2Very high1 Ų127.1 Ų27.11%0.00515%0.152CC..THydrogen-bonded Turntrans-81.2-19.1171.2-55.1-175.1000112.6I68 I113 W134 F135 D149 R197 L199I68-L151 HydrophobicContact CD1-CD1 3.81Å; I68-L151 HydrophobicContact CD1-CG 4.44Å; I113-L151 HydrophobicContact CD1-CD2 4Å; W134-L151 HydrophobicContact CH2-CD2 4.05Å; W134-L151 HydrophobicContact CZ3-CB 4.21Å; W134-L151 HydrophobicContact CZ3-CD2 3.95Å; F135-L151 HydrophobicContact CD2-CD2 4.04Å; F135-L151 HydrophobicContact CE2-CD2 3.75Å; F135-L151 HydrophobicContact CZ-CD2 4.46Å; D149-L151 PolarHBondContact O-N 2.84Å; D149-L151 VanDerWaalsContact O-N 3.16Å; D149-L151 WeakPolarHBondContact OD1-CA 3.41Å; D149-L151 VanDerWaalsContact OD1-CB 3.26Å; D149-L151 WeakPolarHBondContact OD1-CB 3.29Å; D149-L151 PolarHBondContact OD1-N 3.16Å; L151-R197 HydrophobicContact CB-CB 4.19Å; L151-R197 WeakPolarHBondContact O-CB 3.45Å; L151-L199 HydrophobicContact CD1-CD2 3.92Å
152A89.6Confident92Very high4 Ų427.5 Ų27.53%0.03316%0.157CC..SBendtrans-87.6-8-179.900000113.5D149 V154 F179 I196D149-A152 HydrophobicContact CB-CB 4.12Å; D149-A152 WeakPolarHBondContact O-CB 3.38Å; D149-A152 PolarHBondContact O-N 3.14Å; A152-V154 PolarHBondContact O-N 2.93Å; A152-F179 HydrophobicContact CB-CB 3.86Å; A152-I196 HydrophobicContact CB-CG1 4.2Å
153A78.1Confident92.1Very high8 Ų831 Ų317%0.06618%0.182CC..SBendtrans-62.4-38.6-165.300000115Y148 F176Y148-A153 HydrophobicContact CE2-CB 4.46Å; A153-F176 HydrophobicContact CB-CD1 3.74Å; A153-F176 HydrophobicContact CB-CE1 4.05Å; A153-F176 HydrophobicContact CB-CG 4.39Å; A153-F176 WeakPolarHBondContact O-CD1 3.38Å; A153-F176 WeakPolarHBondContact O-CE1 3.49Å
154V86.3Confident92.2Very high43 Ų4333.2 Ų33.226%0.26120%0.196SC..SBendtrans-129.2105.7-178.7-176.70000110.7W134 L136 A152 C156W134-V154 WeakPolarHBondContact CA-O 3.37Å; W134-V154 VanDerWaalsContact CB-O 3.28Å; W134-V154 WeakPolarHBondContact CB-O 3.22Å; W134-V154 WeakPolarHBondContact O-CB 3.33Å; L136-V154 HydrophobicContact CD1-CG2 3.39Å; L136-V154 HydrophobicContact CD2-CG2 4.07Å; L136-V154 HydrophobicContact CG-CG2 3.53Å; A152-V154 PolarHBondContact O-N 2.93Å; V154-C156 PolarHBondContact O-N 3.16Å
155P87.3Confident92.4Very high48 Ų4840.3 Ų40.331%0.31222%0.22SC..  trans-71.7127.5175.727.8-32.5000110.6L170 F179P155-L170 HydrophobicContact CB-CD1 3.96Å; P155-L170 HydrophobicContact CB-CD2 3.68Å; P155-L170 HydrophobicContact CB-CG 4.49Å; P155-L170 HydrophobicContact CG-CD1 3.54Å; P155-L170 HydrophobicContact CG-CD2 3.68Å; P155-L170 HydrophobicContact CG-CG 4.26Å; P155-F179 HydrophobicContact CG-CE1 4.21Å
156C91.2Very high92.4Very high35 Ų3544 Ų4424%0.23624%0.238CC..SBendtrans-105-5.2168.868.80000113.2C126 C129 W134 V154 R197C126-C156 VanDerWaalsContact CB-SG 3.55Å; C129-C156 PolarHBondContact SG-SG 3.07Å; W134-C156 HydrophobicContact CB-CB 3.92Å; V154-C156 PolarHBondContact O-N 3.16Å; C156-R197 PolarHBondContact SG-NH2 3.19Å
157C90.5Very high92.4Very high28 Ų2844.6 Ų44.619%0.18925%0.248CC..SBendtrans-141.5153178-59.90000107.9C129C129-C157 PolarHBondContact SG-SG 3.29Å
158Q91Very high92.3Very high91 Ų9142.2 Ų42.243%0.42523%0.231SC..  trans-67.5126.8170.6-159.4165.36.600109.5R128 I168R128-Q158 PolarHBondContact NH1-O 2.65Å; Q158-I168 WeakPolarHBondContact CG-O 3.42Å; Q158-I168 PolarHBondContact NE2-O 2.83Å
159P91.5Very high92.2Very high15 Ų1544.5 Ų44.510%0.09725%0.249CC..  trans-61.4153.817626-34.5000110.3S167 I168 L170 H194 F195P159-S167 CarbonylContact O-C 3.53Å; P159-S167 VanDerWaalsContact O-CA 3.32Å; P159-S167 WeakPolarHBondContact O-CA 3.36Å; P159-I168 HydrophobicContact CG-CB 4.13Å; P159-I168 WeakPolarHBondContact CG-O 3.16Å; P159-I168 PolarHBondContact O-N 2.92Å; P159-L170 HydrophobicContact CG-CD2 4.17Å; P159-H194 WeakPolarHBondContact CB-O 3.36Å; P159-F195 HydrophobicContact CB-CD1 4.3Å; P159-F195 HydrophobicContact CG-CD1 3.6Å; P159-F195 HydrophobicContact CG-CE1 3.61Å
160Q92.5Very high91.9Very high81 Ų8148.3 Ų48.338%0.37927%0.269SS..BIsolated β-bridgetrans-120.9138.8177.1-70.9178.2-64.600108.8S162 R165 M166Q160-S162 PolarHBondContact O-N 3.33Å; Q160-R165 PolarHBondContact NE2-O 3.37Å; Q160-R165 VanDerWaalsContact NE2-O 3.11Å; Q160-M166 WeakPolarHBondContact CA-O 3.4Å
161C95Very high91.4Very high0 Ų049.9 Ų49.90%028%0.28CS..  trans-57.6133174.4-176.30000110.5S163 C164 R165 M166 I168 C185 C188C161-S163 PolarHBondContact O-N 2.54Å; C161-S163 PolarHBondContact SG-N 3.35Å; C161-S163 VanDerWaalsContact SG-N 3.41Å; C161-C164 VanDerWaalsContact CB-SG 3.52Å; C161-R165 WeakPolarHBondContact O-CA 3.48Å; C161-R165 PolarHBondContact O-N 2.99Å; C161-M166 PolarHBondContact N-O 2.73Å; C161-I168 HydrophobicContact CB-CD1 3.93Å; C161-I168 HydrophobicContact CB-CG1 4.44Å; C161-C185 HydrophobicContact CB-CB 4.23Å; C161-C185 VanDerWaalsContact SG-SG 3.62Å; C161-C188 VanDerWaalsContact SG-SG 3.7Å
162S92.3Very high90.9Very high51 Ų5156.3 Ų56.336%0.35733%0.325SS..THydrogen-bonded Turntrans-62.1-29.7175500000112.9Q160 H190 D192Q160-S162 PolarHBondContact O-N 3.33Å; S162-H190 PolarHBondContact OG-CD2 3.23Å; S162-D192 VanDerWaalsContact CB-OD2 3.31Å; S162-D192 WeakPolarHBondContact CB-OD2 3.47Å; S162-D192 PolarHBondContact OG-OD2 3.41Å
163S96.3Very high90.4Very high74 Ų7458.6 Ų58.652%0.51734%0.34SS..THydrogen-bonded Turntrans-85.6-64.3179.2175.20000112.7C161C161-S163 PolarHBondContact O-N 2.54Å; C161-S163 PolarHBondContact SG-N 3.35Å; C161-S163 VanDerWaalsContact SG-N 3.41Å
164C97.2Very high90.3Very high45 Ų4563.5 Ų63.530%0.30437%0.373SS..THydrogen-bonded Turntrans-94.9-4-17371.60000115.2C161 M166 C188C161-C164 VanDerWaalsContact CB-SG 3.52Å; C164-M166 PolarHBondContact O-N 3.27Å; C164-C188 HydrophobicContact CB-CB 3.98Å; C164-C188 VanDerWaalsContact SG-SG 3.63Å
165R95.5Very high90.3Very high173 Ų17369.2 Ų69.265%0.65339%0.39SS*.  trans61.9-0.8-178.3-53.1-61.8-173.3161.50.8116.5Q160 C161Q160-R165 PolarHBondContact NE2-O 3.37Å; Q160-R165 VanDerWaalsContact NE2-O 3.11Å; C161-R165 WeakPolarHBondContact O-CA 3.48Å; C161-R165 PolarHBondContact O-N 2.99Å
166M96.6Very high90.2Very high100 Ų10070.7 Ų70.749%0.49339%0.392SS..PPolyproline II helixtrans-66144.9174.1-65.3-64-73.400111.3Q160 C161 C164 H187Q160-M166 WeakPolarHBondContact CA-O 3.4Å; C161-M166 PolarHBondContact N-O 2.73Å; C164-M166 PolarHBondContact O-N 3.27Å; M166-H187 HydrophobicContact CB-CB 4.12Å; M166-H187 VanDerWaalsContact CB-CD2 3.45Å; M166-H187 WeakPolarHBondContact CB-CD2 3.35Å; M166-H187 HydrophobicContact CG-CB 4.24Å
167S94.8Very high90Very high50 Ų5070.1 Ų70.135%0.3539%0.389SS..BIsolated β-bridgetrans-67.4133.2178.2-64.90000111.4P159 H187P159-S167 CarbonylContact O-C 3.53Å; P159-S167 VanDerWaalsContact O-CA 3.32Å; P159-S167 WeakPolarHBondContact O-CA 3.36Å; S167-H187 PolarHBondContact O-NE2 2.82Å
168I93.8Very high89.8Confident7 Ų770.4 Ų70.44%0.03639%0.389CS..PPolyproline II helixtrans-101.1127.7-180-63.5174.8000108.8Q158 P159 C161 C185 H194 F195Q158-I168 WeakPolarHBondContact CG-O 3.42Å; Q158-I168 PolarHBondContact NE2-O 2.83Å; P159-I168 HydrophobicContact CG-CB 4.13Å; P159-I168 WeakPolarHBondContact CG-O 3.16Å; P159-I168 PolarHBondContact O-N 2.92Å; C161-I168 HydrophobicContact CB-CD1 3.93Å; C161-I168 HydrophobicContact CB-CG1 4.44Å; I168-C185 HydrophobicContact CD1-CB 4.41Å; I168-H194 HydrophobicContact CD1-CB 3.59Å; I168-H194 VanDerWaalsContact CD1-ND1 3.34Å; I168-H194 WeakPolarHBondContact CD1-ND1 3.34Å; I168-F195 HydrophobicContact CG2-CE1 4.19Å; I168-F195 HydrophobicContact CG2-CZ 3.92Å
169P91.8Very high89.7Confident78 Ų7866.9 Ų66.951%0.50637%0.372SS..PPolyproline II helixtrans-55.5140.1174.2-24.634.5000111.9
170L89.1Confident89.7Confident79 Ų7966.9 Ų66.941%0.41437%0.372SS..PPolyproline II helixtrans-68.4145.3174.3-67.9175.8000110.2P155 P159 F179 F195P155-L170 HydrophobicContact CB-CD1 3.96Å; P155-L170 HydrophobicContact CB-CD2 3.68Å; P155-L170 HydrophobicContact CB-CG 4.49Å; P155-L170 HydrophobicContact CG-CD1 3.54Å; P155-L170 HydrophobicContact CG-CD2 3.68Å; P155-L170 HydrophobicContact CG-CG 4.26Å; P159-L170 HydrophobicContact CG-CD2 4.17Å; L170-F179 HydrophobicContact CD2-CE1 4.35Å; L170-F195 HydrophobicContact CD2-CD1 4.18Å; L170-F195 HydrophobicContact CD2-CE1 4.23Å
171P86.5Confident89.7Confident37 Ų3766.9 Ų66.924%0.2437%0.372CS..PPolyproline II helixtrans-61.5145.2172.9-13.728.4000109.9C173 V178 F179 F195P171-C173 PolarHBondContact O-N 3.17Å; P171-V178 HydrophobicContact CB-CG1 3.84Å; P171-V178 HydrophobicContact CG-CG1 3.82Å; P171-F179 HydrophobicContact CG-CD1 4.35Å; P171-F179 HydrophobicContact CG-CE1 4.01Å; P171-F179 HydrophobicContact CG-CZ 4.46Å; P171-F195 HydrophobicContact CG-CE1 4.06Å; P171-F195 HydrophobicContact CG-CE2 4.09Å; P171-F195 HydrophobicContact CG-CZ 3.83Å
172S83.1Confident89.6Confident136 Ų13671.5 Ų71.595%0.95140%0.401SS*.SBendtrans-73.7-11.2172.854.20000113.3
173C78.3Confident89.6Confident51 Ų5170.6 Ų70.635%0.34540%0.395SS..  trans-78.2141.2-176-167.50000112.3P171 V178P171-C173 PolarHBondContact O-N 3.17Å; C173-V178 HydrophobicContact CB-CG2 4.17Å
174S76.5Confident89.6Confident111 Ų11172.1 Ų72.178%0.77640%0.397SS*.  trans-85.6-1.4176.456.50000114.3
175R85.4Confident89.5Confident163 Ų16370 Ų7062%0.61538%0.383SS*.  trans-81.3122.3-179.3-70.517857.9107.21.3111.3S177 V178R175-S177 PolarHBondContact O-N 2.75Å; R175-S177 VanDerWaalsContact O-N 3.17Å; R175-V178 HydrophobicContact CB-CG2 4.14Å; R175-V178 WeakPolarHBondContact O-CB 3.19Å; R175-V178 PolarHBondContact O-N 3.29Å
176F85.7Confident89.6Confident79 Ų7966 Ų6635%0.34638%0.379SS..G310 helixtrans-59.6-28.2178.5-61.4-60000114.3L136 Y148 A153 V178 F179L136-F176 HydrophobicContact CD1-CZ 4.33Å; Y148-F176 HydrophobicContact CD1-CB 4.24Å; Y148-F176 HydrophobicContact CD2-CB 3.78Å; Y148-F176 HydrophobicContact CE1-CB 4.14Å; Y148-F176 HydrophobicContact CE2-CB 3.7Å; Y148-F176 HydrophobicContact CE2-CD2 4.48Å; Y148-F176 HydrophobicContact CE2-CG 4.19Å; Y148-F176 HydrophobicContact CG-CB 4.07Å; A153-F176 HydrophobicContact CB-CD1 3.74Å; A153-F176 HydrophobicContact CB-CE1 4.05Å; A153-F176 HydrophobicContact CB-CG 4.39Å; A153-F176 WeakPolarHBondContact O-CD1 3.38Å; A153-F176 WeakPolarHBondContact O-CE1 3.49Å; F176-V178 PolarHBondContact O-N 3.25Å; F176-F179 PolarHBondContact O-N 3.11Å
177S86.6Confident89.6Confident24 Ų2466.4 Ų66.417%0.16838%0.379CS..G310 helixtrans-61.8-31179.366.50000113.2R175 F179 T180 E181R175-S177 PolarHBondContact O-N 2.75Å; R175-S177 VanDerWaalsContact O-N 3.17Å; S177-F179 PolarHBondContact O-N 2.94Å; S177-T180 WeakPolarHBondContact O-CA 3.5Å; S177-T180 WeakPolarHBondContact O-CB 3.37Å; S177-T180 PolarHBondContact O-N 3.19Å; S177-E181 PolarHBondContact O-N 3.08Å
178V86.6Confident89.7Confident33 Ų3366.8 Ų66.820%0.238%0.382CS..G310 helixtrans-61.8-33.4-179.3175.80000111.3P171 C173 R175 F176 T180 E181P171-V178 HydrophobicContact CB-CG1 3.84Å; P171-V178 HydrophobicContact CG-CG1 3.82Å; C173-V178 HydrophobicContact CB-CG2 4.17Å; R175-V178 HydrophobicContact CB-CG2 4.14Å; R175-V178 WeakPolarHBondContact O-CB 3.19Å; R175-V178 PolarHBondContact O-N 3.29Å; F176-V178 PolarHBondContact O-N 3.25Å; V178-T180 PolarHBondContact O-N 3.27Å; V178-E181 PolarHBondContact O-N 3.23Å
179F89.8Confident89.9Confident17 Ų1768.8 Ų68.88%0.07540%0.404CS..G310 helixtrans-74.1-3.5177.3-58.6-83.9000113.4A152 P155 L170 P171 F176 S177 F195 I196A152-F179 HydrophobicContact CB-CB 3.86Å; P155-F179 HydrophobicContact CG-CE1 4.21Å; L170-F179 HydrophobicContact CD2-CE1 4.35Å; P171-F179 HydrophobicContact CG-CD1 4.35Å; P171-F179 HydrophobicContact CG-CE1 4.01Å; P171-F179 HydrophobicContact CG-CZ 4.46Å; F176-F179 PolarHBondContact O-N 3.11Å; S177-F179 PolarHBondContact O-N 2.94Å; F179-F195 HydrophobicContact CB-CB 3.87Å; F179-F195 HydrophobicContact CD1-CB 3.86Å; F179-F195 HydrophobicContact CD1-CD1 4.04Å; F179-F195 AromaticContact CD1-CG 3.98Å; F179-F195 HydrophobicContact CD1-CG 3.98Å; F179-F195 HydrophobicContact CG-CB 4.37Å; F179-F195 WeakPolarHBondContact O-CB 3.5Å; F179-I196 WeakPolarHBondContact O-CG1 3.36Å
180T91.5Very high90.2Very high16 Ų1668.8 Ų68.810%0.09840%0.397CS..G310 helixtrans-106.8-5.8176.9-52.50000111.7P91 D149 S177 V178 I196P91-T180 HydrophobicContact CG-CG2 4.04Å; D149-T180 HydrophobicContact CB-CG2 4.01Å; D149-T180 PolarHBondContact N-OG1 3.17Å; S177-T180 WeakPolarHBondContact O-CA 3.5Å; S177-T180 WeakPolarHBondContact O-CB 3.37Å; S177-T180 PolarHBondContact O-N 3.19Å; V178-T180 PolarHBondContact O-N 3.27Å; T180-I196 HydrophobicContact CG2-CD1 4.3Å
181E91.1Very high90.5Very high81 Ų8168.2 Ų68.238%0.37940%0.399SS..SBendtrans-86.7150.6-176.8-70.8164.8-158.800111.9S177 V178S177-E181 PolarHBondContact O-N 3.08Å; V178-E181 PolarHBondContact O-N 3.23Å
182T93.3Very high90.9Very high96 Ų9668.3 Ų68.359%0.58940%0.398SS*.  trans-68.5135.4170.1-56.30000109.2D192T182-D192 WeakPolarHBondContact CA-O 3.31Å
183S92.7Very high91.4Very high33 Ų3362.4 Ų62.423%0.23136%0.356CS..EExtended strand (participates in β ladder)trans-140.6153.6175.750.40000111.1S191 D192 H194 F195S183-S191 WeakPolarHBondContact O-CA 3.5Å; S183-D192 PolarHBondContact N-O 2.95Å; S183-D192 PolarHBondContact O-N 3.5Å; S183-D192 VanDerWaalsContact O-N 3.08Å; S183-H194 PolarHBondContact O-CD2 3.21Å; S183-H194 PolarHBondContact O-NE2 3.38Å; S183-F195 WeakPolarHBondContact OG-CE2 3.32Å
184D95.4Very high92.1Very high105 Ų10560.6 Ų60.656%0.56134%0.343SS*.EExtended strand (participates in β ladder)trans-83.6134.9178.1-61-25.6000110.3S191D184-S191 VanDerWaalsContact OD1-CB 3.25Å; D184-S191 WeakPolarHBondContact OD1-CB 3.4Å; D184-S191 PolarHBondContact OD1-OG 2.89Å
185C96.4Very high92.9Very high2 Ų256.7 Ų56.71%0.01431%0.312CS..  trans-63.9124.1172.9176.60000110C161 I168 H187 C188 G189 H190C161-C185 HydrophobicContact CB-CB 4.23Å; C161-C185 VanDerWaalsContact SG-SG 3.62Å; I168-C185 HydrophobicContact CD1-CB 4.41Å; C185-H187 PolarHBondContact O-N 3.15Å; C185-H187 PolarHBondContact SG-N 3.37Å; C185-H187 VanDerWaalsContact SG-N 3.45Å; C185-C188 PolarHBondContact O-N 2.96Å; C185-C188 VanDerWaalsContact SG-SG 3.6Å; C185-G189 WeakPolarHBondContact O-CA 3.17Å; C185-G189 PolarHBondContact O-N 3.39Å; C185-H190 HydrophobicContact CB-CB 4.5Å; C185-H190 PolarHBondContact N-O 3.33Å
186P96Very high93.2Very high88 Ų8849.4 Ų49.457%0.57129%0.285SS*.THydrogen-bonded Turntrans-67.3-11.6-179.528.5-35.7000113.3
187H97.2Very high93.5Very high108 Ų10847 Ų4750%0.527%0.274SS..THydrogen-bonded Turntrans-98.5-32.4-179.7-61.4-71.7000114M166 S167 C185M166-H187 HydrophobicContact CB-CB 4.12Å; M166-H187 VanDerWaalsContact CB-CD2 3.45Å; M166-H187 WeakPolarHBondContact CB-CD2 3.35Å; M166-H187 HydrophobicContact CG-CB 4.24Å; S167-H187 PolarHBondContact O-NE2 2.82Å; C185-H187 PolarHBondContact O-N 3.15Å; C185-H187 PolarHBondContact SG-N 3.37Å; C185-H187 VanDerWaalsContact SG-N 3.45Å
188C97.7Very high93.7Very high59 Ų5950.7 Ų50.740%0.39928%0.284SS..THydrogen-bonded Turntrans-133-2.4-175.5700000115.2C161 C164 C185 H190C161-C188 VanDerWaalsContact SG-SG 3.7Å; C164-C188 HydrophobicContact CB-CB 3.98Å; C164-C188 VanDerWaalsContact SG-SG 3.63Å; C185-C188 PolarHBondContact O-N 2.96Å; C185-C188 VanDerWaalsContact SG-SG 3.6Å; C188-H190 PolarHBondContact O-N 3.46Å; C188-H190 VanDerWaalsContact SG-CB 3.56Å
189G97.1Very high94Very high49 Ų4951.1 Ų51.151%0.50529%0.285SS..  trans732.6-178.600000115.2C185 S191C185-G189 WeakPolarHBondContact O-CA 3.17Å; C185-G189 PolarHBondContact O-N 3.39Å; G189-S191 PolarHBondContact O-N 2.63Å
190H97.4Very high93.9Very high78 Ų7856.7 Ų56.736%0.36132%0.315SS..  trans-68.6119.3178.7-175.462.4000111.6S162 C185 C188 H194S162-H190 PolarHBondContact OG-CD2 3.23Å; C185-H190 HydrophobicContact CB-CB 4.5Å; C185-H190 PolarHBondContact N-O 3.33Å; C188-H190 PolarHBondContact O-N 3.46Å; C188-H190 VanDerWaalsContact SG-CB 3.56Å; H190-H194 PolarHBondContact O-NE2 3.2Å; H190-H194 VanDerWaalsContact O-NE2 3.07Å
191S96.3Very high93.8Very high66 Ų6657.6 Ų57.646%0.46232%0.322SS..EExtended strand (participates in β ladder)trans-79.6120.3175.8-43.40000111.2S183 D184 G189S183-S191 WeakPolarHBondContact O-CA 3.5Å; D184-S191 VanDerWaalsContact OD1-CB 3.25Å; D184-S191 WeakPolarHBondContact OD1-CB 3.4Å; D184-S191 PolarHBondContact OD1-OG 2.89Å; G189-S191 PolarHBondContact O-N 2.63Å
192D95.1Very high93.8Very high39 Ų3954.7 Ų54.721%0.20931%0.31CS..EExtended strand (participates in β ladder)trans-156.8173176.1-162.9-0.3000110.1S162 T182 S183 H194S162-D192 VanDerWaalsContact CB-OD2 3.31Å; S162-D192 WeakPolarHBondContact CB-OD2 3.47Å; S162-D192 PolarHBondContact OG-OD2 3.41Å; T182-D192 WeakPolarHBondContact CA-O 3.31Å; S183-D192 PolarHBondContact N-O 2.95Å; S183-D192 PolarHBondContact O-N 3.5Å; S183-D192 VanDerWaalsContact O-N 3.08Å; D192-H194 VanDerWaalsContact C-N 3.27Å; D192-H194 VanDerWaalsContact CB-CE1 3.48Å; D192-H194 WeakPolarHBondContact CB-CE1 3.06Å; D192-H194 PolarHBondContact O-CD2 3.21Å; D192-H194 PolarHBondContact O-N 3.26Å; D192-H194 VanDerWaalsContact O-N 3.15Å
193V93.9Very high93.7Very high13 Ų1354.7 Ų54.78%0.07930%0.303CS..  trans-86.265.5172.5-69.70000110.6P91 V92 F195 I196P91-V193 HydrophobicContact CB-CG1 4.16Å; P91-V193 HydrophobicContact CG-CB 4.31Å; P91-V193 HydrophobicContact CG-CG1 3.67Å; P91-V193 HydrophobicContact CG-CG2 4.44Å; V92-V193 HydrophobicContact CG2-CG2 3.8Å; V193-F195 PolarHBondContact O-N 2.81Å; V193-F195 VanDerWaalsContact O-N 3.08Å; V193-I196 HydrophobicContact CB-CD1 3.81Å; V193-I196 HydrophobicContact CB-CG1 4.19Å; V193-I196 HydrophobicContact CG1-CD1 4.33Å; V193-I196 HydrophobicContact CG2-CD1 3.98Å; V193-I196 PolarHBondContact O-N 3.29Å
194H93.3Very high93.5Very high13 Ų1357.5 Ų57.56%0.0631%0.309CS..THydrogen-bonded Turntrans-58.6-25.9-168.7-66.1-61.9000115.3P159 I168 S183 H190 D192P159-H194 WeakPolarHBondContact CB-O 3.36Å; I168-H194 HydrophobicContact CD1-CB 3.59Å; I168-H194 VanDerWaalsContact CD1-ND1 3.34Å; I168-H194 WeakPolarHBondContact CD1-ND1 3.34Å; S183-H194 PolarHBondContact O-CD2 3.21Å; S183-H194 PolarHBondContact O-NE2 3.38Å; H190-H194 PolarHBondContact O-NE2 3.2Å; H190-H194 VanDerWaalsContact O-NE2 3.07Å; D192-H194 VanDerWaalsContact C-N 3.27Å; D192-H194 VanDerWaalsContact CB-CE1 3.48Å; D192-H194 WeakPolarHBondContact CB-CE1 3.06Å; D192-H194 PolarHBondContact O-CD2 3.21Å; D192-H194 PolarHBondContact O-N 3.26Å; D192-H194 VanDerWaalsContact O-N 3.15Å
195F92.6Very high92.7Very high28 Ų2856.5 Ų56.512%0.12330%0.301CS..THydrogen-bonded Turntrans-91.6-10.4-173.5-57.7-73.5000113.9P159 I168 L170 P171 F179 S183 V193 R197P159-F195 HydrophobicContact CB-CD1 4.3Å; P159-F195 HydrophobicContact CG-CD1 3.6Å; P159-F195 HydrophobicContact CG-CE1 3.61Å; I168-F195 HydrophobicContact CG2-CE1 4.19Å; I168-F195 HydrophobicContact CG2-CZ 3.92Å; L170-F195 HydrophobicContact CD2-CD1 4.18Å; L170-F195 HydrophobicContact CD2-CE1 4.23Å; P171-F195 HydrophobicContact CG-CE1 4.06Å; P171-F195 HydrophobicContact CG-CE2 4.09Å; P171-F195 HydrophobicContact CG-CZ 3.83Å; F179-F195 HydrophobicContact CB-CB 3.87Å; F179-F195 HydrophobicContact CD1-CB 3.86Å; F179-F195 HydrophobicContact CD1-CD1 4.04Å; F179-F195 AromaticContact CD1-CG 3.98Å; F179-F195 HydrophobicContact CD1-CG 3.98Å; F179-F195 HydrophobicContact CG-CB 4.37Å; F179-F195 WeakPolarHBondContact O-CB 3.5Å; S183-F195 WeakPolarHBondContact OG-CE2 3.32Å; V193-F195 PolarHBondContact O-N 2.81Å; V193-F195 VanDerWaalsContact O-N 3.08Å; F195-R197 PolarHBondContact O-N 3.25Å
196I92.5Very high91Very high11 Ų1168 Ų686%0.05634%0.344CS..PPolyproline II helixtrans-73.7124.1-179.4-67.1-178.3000110.3P91 V92 D149 A152 F179 T180 V193 R198P91-I196 HydrophobicContact CG-CD1 3.26Å; V92-I196 HydrophobicContact CB-CG2 4.3Å; V92-I196 HydrophobicContact CG2-CB 4.43Å; V92-I196 HydrophobicContact CG2-CD1 3.94Å; V92-I196 HydrophobicContact CG2-CG2 3.93Å; D149-I196 HydrophobicContact CB-CD1 4.2Å; D149-I196 HydrophobicContact CB-CG1 4.28Å; D149-I196 WeakPolarHBondContact OD2-CG2 3.46Å; A152-I196 HydrophobicContact CB-CG1 4.2Å; F179-I196 WeakPolarHBondContact O-CG1 3.36Å; T180-I196 HydrophobicContact CG2-CD1 4.3Å; V193-I196 HydrophobicContact CB-CD1 3.81Å; V193-I196 HydrophobicContact CB-CG1 4.19Å; V193-I196 HydrophobicContact CG1-CD1 4.33Å; V193-I196 HydrophobicContact CG2-CD1 3.98Å; V193-I196 PolarHBondContact O-N 3.29Å; I196-R198 PolarHBondContact O-N 2.96Å
197R91.7Very high89Confident29 Ų2966.7 Ų66.711%0.10934%0.337CS..PPolyproline II helixtrans-74.2119.5173-174.1177.1-65.8-82.70.6110.4H94 C126 W134 L151 C156 F195 S201 V202H94-R197 PolarHBondContact CE1-O 2.95Å; C126-R197 PolarHBondContact SG-NH1 2.91Å; W134-R197 VanDerWaalsContact CE3-CD 3.45Å; W134-R197 VanDerWaalsContact CE3-NE 3.29Å; W134-R197 VanDerWaalsContact CZ3-CD 3.45Å; L151-R197 HydrophobicContact CB-CB 4.19Å; L151-R197 WeakPolarHBondContact O-CB 3.45Å; C156-R197 PolarHBondContact SG-NH2 3.19Å; F195-R197 PolarHBondContact O-N 3.25Å; R197-S201 WeakPolarHBondContact CG-OG 3.44Å; R197-V202 HydrophobicContact CG-CG2 4.13Å
198R90.5Very high86Confident100 Ų10067.9 Ų67.938%0.37735%0.351SS..PPolyproline II helixtrans-78.9148.3174.5-57.9-63.1177.1149.40.1111V92 I196 D200 S201V92-R198 VanDerWaalsContact CG2-CZ 3.42Å; V92-R198 VanDerWaalsContact CG2-NH1 3.31Å; I196-R198 PolarHBondContact O-N 2.96Å; R198-D200 VanDerWaalsContact C-N 3.25Å; R198-D200 WeakPolarHBondContact CB-OD1 3.34Å; R198-D200 PolarHBondContact O-N 3.07Å; R198-S201 WeakPolarHBondContact O-CB 3.48Å; R198-S201 PolarHBondContact O-N 3.1Å; R198-S201 VanDerWaalsContact O-N 3.07Å; R198-S201 PolarHBondContact O-OG 3.39Å
199L91.5Very high82.8Confident43 Ų4369.9 Ų69.923%0.22537%0.366CS..G310 helixtrans-61.3-29.9-177.6-74.6-179.2000113.8I68 L69 H94 L151 S201 V202I68-L199 HydrophobicContact CB-CD1 4.32Å; I68-L199 HydrophobicContact CD1-CD2 4.17Å; I68-L199 HydrophobicContact CG1-CD2 4.45Å; L69-L199 HydrophobicContact CD2-CD2 3.72Å; H94-L199 HydrophobicContact CB-CD1 3.94Å; H94-L199 HydrophobicContact CB-CG 4.15Å; L151-L199 HydrophobicContact CD1-CD2 3.92Å; L199-S201 PolarHBondContact O-N 3.01Å; L199-V202 WeakPolarHBondContact O-CB 3.48Å; L199-V202 PolarHBondContact O-N 3.08Å; L199-V202 VanDerWaalsContact O-N 3.11Å
200D88.9Confident79.6Confident134 Ų13474.4 Ų74.472%0.71738%0.383SS*.G310 helixtrans-65.1-22.4175.660.4-6.9000113.3R198 V202R198-D200 VanDerWaalsContact C-N 3.25Å; R198-D200 WeakPolarHBondContact CB-OD1 3.34Å; R198-D200 PolarHBondContact O-N 3.07Å; D200-V202 VanDerWaalsContact C-N 3.27Å; D200-V202 PolarHBondContact O-N 2.91Å
201S88.9Confident76.4Confident34 Ų3479.4 Ų79.424%0.23843%0.427CS..G310 helixtrans-864.2174.877.80000113.9V127 R197 R198 L199V127-S201 PolarHBondContact N-O 3.34Å; R197-S201 WeakPolarHBondContact CG-OG 3.44Å; R198-S201 WeakPolarHBondContact O-CB 3.48Å; R198-S201 PolarHBondContact O-N 3.1Å; R198-S201 VanDerWaalsContact O-N 3.07Å; R198-S201 PolarHBondContact O-OG 3.39Å; L199-S201 PolarHBondContact O-N 3.01Å
202V91.5Very high75.4Confident21 Ų2180.1 Ų80.113%0.12743%0.425CS..EExtended strand (participates in β ladder)trans-114.2119.8-179.5-179.60000109.6L124 W134 R197 L199 D200L124-V202 HydrophobicContact CB-CG1 4.29Å; L124-V202 HydrophobicContact CD2-CG1 4.16Å; W134-V202 HydrophobicContact CH2-CG1 4.24Å; W134-V202 HydrophobicContact CH2-CG2 3.63Å; W134-V202 HydrophobicContact CZ2-CB 4.27Å; W134-V202 HydrophobicContact CZ2-CG1 3.72Å; W134-V202 HydrophobicContact CZ2-CG2 3.57Å; R197-V202 HydrophobicContact CG-CG2 4.13Å; L199-V202 WeakPolarHBondContact O-CB 3.48Å; L199-V202 PolarHBondContact O-N 3.08Å; L199-V202 VanDerWaalsContact O-N 3.11Å; D200-V202 VanDerWaalsContact C-N 3.27Å; D200-V202 PolarHBondContact O-N 2.91Å
203H91.3Very high74.4Confident95 Ų9582.2 Ų82.244%0.4444%0.436SS..EExtended strand (participates in β ladder)trans-96.2133.1166.8-177.982.4000109.2L124 C125 V127 H205L124-H203 WeakPolarHBondContact CA-O 3.36Å; C125-H203 PolarHBondContact N-O 3.41Å; C125-H203 PolarHBondContact O-N 2.95Å; V127-H203 HydrophobicContact CG2-CB 3.94Å; H203-H205 AromaticContact CD2-CE1 3.94Å; H203-H205 AromaticContact CD2-NE2 3.92Å; H203-H205 AromaticContact NE2-ND1 3.95Å
204R87.7Confident73.3Confident93 Ų9386.1 Ų86.135%0.35146%0.456SS..EExtended strand (participates in β ladder)trans-110.7112.3174.9-178172.5179.4-132.4-0.2108.7K123 L124 R206K123-R204 CarbonylContact O-C 3.48Å; K123-R204 WeakPolarHBondContact O-CA 3.25Å; L124-R204 HydrophobicContact CD2-CB 3.87Å; L124-R204 HydrophobicContact CD2-CG 3.8Å; R204-R206 PolarHBondContact O-N 2.82Å; R204-R206 VanDerWaalsContact O-N 3.14Å
205H79Confident72.1Confident84 Ų8490.4 Ų90.439%0.38948%0.479SS..PPolyproline II helixtrans-61.6119170.2-70-80.3000108.3K123 C125 H203 S207K123-H205 PolarHBondContact O-N 3.45Å; C125-H205 PolarHBondContact SG-NE2 3.05Å; C125-H205 VanDerWaalsContact SG-NE2 3.43Å; H203-H205 AromaticContact CD2-CE1 3.94Å; H203-H205 AromaticContact CD2-NE2 3.92Å; H203-H205 AromaticContact NE2-ND1 3.95Å; H205-S207 PolarHBondContact O-N 3.38Å; H205-S207 VanDerWaalsContact O-N 3.12Å
206R61.7Low70.8Confident244 Ų24494.3 Ų94.392%0.92150%0.502SS*.PPolyproline II helixtrans-61.4117.1172.9-74.5-175.1178.9-174.20.2107.6R204 V208R204-R206 PolarHBondContact O-N 2.82Å; R204-R206 VanDerWaalsContact O-N 3.14Å; R206-V208 PolarHBondContact O-N 2.93Å
207S52.8Low69.4Low60 Ų6099.8 Ų99.842%0.4253%0.531SS..PPolyproline II helixtrans-61.8126.7161.7-38.80000106.7H205 S209H205-S207 PolarHBondContact O-N 3.38Å; H205-S207 VanDerWaalsContact O-N 3.12Å; S207-S209 PolarHBondContact O-N 3.25Å
208V34.9Very low67.8Low132 Ų132104.9 Ų104.980%0.856%0.562SS**  trans-56.8113.9161.4178.90000105R206 V210R206-V208 PolarHBondContact O-N 2.93Å; V208-V210 PolarHBondContact O-N 3.27Å
209S31.1Very low66Low102 Ų102105.2 Ų105.271%0.71358%0.576SS**  trans-55.6109174.5-45.10000106.9S207 S211S207-S209 PolarHBondContact O-N 3.25Å; S209-S211 PolarHBondContact O-N 2.54Å; S209-S211 VanDerWaalsContact O-N 3.14Å
210V28.2Very low63.9Low144 Ų144110.4 Ų110.487%0.87361%0.605SS**  trans-67.2116.2164.2-175.40000104.5V208V208-V210 PolarHBondContact O-N 3.27Å
211S31.1Very low61.7Low182 Ų182108.3 Ų108.3100%1.27360%0.595SS**  trans-600-178.7-38.90000111S209S209-S211 PolarHBondContact O-N 2.54Å; S209-S211 VanDerWaalsContact O-N 3.14Å

Retrieved 211 of 211 residues in 178.7 ms (Link to these results)

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