A0A087YNZ9_POEFO Loading...

F-box protein 10

AlphaFold DB , UniProt , Accession A0A087YNZ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 979 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
1M37.1Very low60.8Low134 Ų13496 Ų9666%0.6654%0.544SS*.  0910-167.3175.1-86.800105.6V3 V29 C30 W33M1-V3 HydrophobicContact CG-CG2 3.96Å; M1-V3 PolarHBondContact O-N 2.92Å; M1-V3 HydrophobicContact SD-CG2 4.33Å; M1-V29 HydrophobicContact CE-CG1 4.16Å; M1-C30 HydrophobicContact CE-CB 4.03Å; M1-C30 WeakPolarHBondContact CE-SG 3.28Å; M1-C30 PolarHBondContact SD-SG 3.3Å; M1-W33 VanDerWaalsContact CE-CD1 3.44Å; M1-W33 PolarHBondContact SD-NE1 2.92Å
2E37.5Very low62Low198 Ų19895.8 Ų95.893%0.92553%0.528SS*.  trans-74.5106.1161.3-76.1-177.5162.600105.4G4E2-G4 PolarHBondContact O-N 3.27Å
3V43.5Very low63.2Low79 Ų7994.8 Ų94.848%0.47953%0.526SS..  trans-75.977.2177.7-177.70000106.9M1 S5M1-V3 HydrophobicContact CG-CG2 3.96Å; M1-V3 PolarHBondContact O-N 2.92Å; M1-V3 HydrophobicContact SD-CG2 4.33Å; V3-S5 PolarHBondContact O-N 3.32Å
4G48.3Very low64.2Low69 Ų6992.8 Ų92.871%0.71151%0.513SS*.  trans-76.6101.4168.700000109.6E2E2-G4 PolarHBondContact O-N 3.27Å
5S60.2Low64.8Low110 Ų11086.7 Ų86.777%0.76948%0.479SS*.SBendtrans142-5.213677.10000116.7V3V3-S5 PolarHBondContact O-N 3.32Å
6L64.5Low65.3Low59 Ų5983.1 Ų83.131%0.30946%0.464SS..  trans-134.1130.2-179.9-82.3159.8000112.2L10 W11 I14L6-L10 HydrophobicContact CD2-CB 4.16Å; L6-L10 HydrophobicContact CD2-CD1 4.31Å; L6-L10 HydrophobicContact CD2-CD2 4.06Å; L6-L10 HydrophobicContact CD2-CG 4.41Å; L6-W11 HydrophobicContact CB-CD2 4.43Å; L6-W11 HydrophobicContact CB-CG 4.48Å; L6-W11 HydrophobicContact CB-CZ2 4.23Å; L6-W11 HydrophobicContact CD1-CH2 4.04Å; L6-W11 HydrophobicContact CD1-CZ2 3.76Å; L6-W11 PolarHBondContact O-NE1 3.44Å; L6-I14 HydrophobicContact CD1-CD1 4.09Å
7P79.1Confident66Low71 Ų7189.9 Ų89.946%0.46148%0.483SS..  trans-57.2150.4172.9-23.933000112.9E9 L10 W11P7-E9 PolarHBondContact O-N 3.31Å; P7-L10 HydrophobicContact CB-CB 4.45Å; P7-L10 HydrophobicContact CG-CD1 4.13Å; P7-L10 WeakPolarHBondContact O-CB 3.44Å; P7-L10 PolarHBondContact O-N 3.06Å; P7-W11 PolarHBondContact O-N 3.31Å
8V68.7Low66.2Low72 Ų7287.9 Ų87.944%0.43647%0.472SS..Hα-helixtrans-57.1-37.5-178.9170.70000111.4L10 W11 R12 L36V8-L10 VanDerWaalsContact C-N 3.34Å; V8-W11 PolarHBondContact O-N 3.36Å; V8-R12 WeakPolarHBondContact O-CG 3.45Å; V8-R12 PolarHBondContact O-N 3.31Å; V8-L36 HydrophobicContact CG1-CD1 3.61Å
9E76.8Confident66.1Low122 Ų12287.2 Ų87.257%0.5747%0.472SS*.Hα-helixtrans-64.8-39.1178.2-61.469.6-151.400111.3P7 R12 V13P7-E9 PolarHBondContact O-N 3.31Å; E9-R12 WeakPolarHBondContact O-CB 3.38Å; E9-R12 PolarHBondContact O-N 3.02Å; E9-V13 WeakPolarHBondContact O-CG2 3.33Å; E9-V13 PolarHBondContact O-N 2.88Å; E9-V13 VanDerWaalsContact O-N 3.16Å
10L76.1Confident65.8Low85 Ų8586.5 Ų86.545%0.44547%0.468SS..Hα-helixtrans-71.1-40.3177.2-112146.4000111.2L6 P7 V8 R12 V13 I14L6-L10 HydrophobicContact CD2-CB 4.16Å; L6-L10 HydrophobicContact CD2-CD1 4.31Å; L6-L10 HydrophobicContact CD2-CD2 4.06Å; L6-L10 HydrophobicContact CD2-CG 4.41Å; P7-L10 HydrophobicContact CB-CB 4.45Å; P7-L10 HydrophobicContact CG-CD1 4.13Å; P7-L10 WeakPolarHBondContact O-CB 3.44Å; P7-L10 PolarHBondContact O-N 3.06Å; V8-L10 VanDerWaalsContact C-N 3.34Å; L10-R12 VanDerWaalsContact C-N 3.29Å; L10-R12 PolarHBondContact O-N 3.03Å; L10-V13 PolarHBondContact O-N 3.4Å; L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3Å; L10-I14 PolarHBondContact O-N 3.2Å
11W77.3Confident65.3Low57 Ų5784.9 Ų84.922%0.21646%0.462CS..Hα-helixtrans-62.5-37.3171.6-79.1116.8000112.7L6 P7 V8 V13 I14 L15 W33 L36L6-W11 HydrophobicContact CB-CD2 4.43Å; L6-W11 HydrophobicContact CB-CG 4.48Å; L6-W11 HydrophobicContact CB-CZ2 4.23Å; L6-W11 HydrophobicContact CD1-CH2 4.04Å; L6-W11 HydrophobicContact CD1-CZ2 3.76Å; L6-W11 PolarHBondContact O-NE1 3.44Å; P7-W11 PolarHBondContact O-N 3.31Å; V8-W11 PolarHBondContact O-N 3.36Å; W11-V13 VanDerWaalsContact C-N 3.3Å; W11-V13 PolarHBondContact O-N 2.94Å; W11-I14 HydrophobicContact CE3-CB 4.33Å; W11-I14 HydrophobicContact CE3-CD1 4.04Å; W11-I14 HydrophobicContact CE3-CG2 4.28Å; W11-I14 HydrophobicContact CZ3-CD1 4.24Å; W11-I14 HydrophobicContact CZ3-CG2 4.26Å; W11-I14 PolarHBondContact O-N 3.38Å; W11-L15 VanDerWaalsContact O-CB 3.24Å; W11-L15 WeakPolarHBondContact O-CB 3.43Å; W11-L15 WeakPolarHBondContact O-CG 3.39Å; W11-L15 PolarHBondContact O-N 3.24Å; W11-W33 AromaticContact CD2-CH2 3.8Å; W11-W33 HydrophobicContact CD2-CH2 3.8Å; W11-W33 HydrophobicContact CD2-CZ3 4.19Å; W11-W33 AromaticContact CE3-CH2 3.49Å; W11-W33 HydrophobicContact CE3-CH2 3.49Å; W11-W33 VanDerWaalsContact CE3-CH2 3.49Å; W11-W33 AromaticContact CE3-CZ3 3.86Å; W11-W33 HydrophobicContact CE3-CZ3 3.86Å; W11-W33 AromaticContact CH2-CH2 3.7Å; W11-W33 HydrophobicContact CH2-CH2 3.7Å; W11-W33 HydrophobicContact CH2-CZ2 4.28Å; W11-W33 AromaticContact CZ2-CH2 3.97Å; W11-W33 HydrophobicContact CZ2-CH2 3.97Å; W11-W33 HydrophobicContact CZ2-CZ2 4.37Å; W11-W33 AromaticContact CZ3-CH2 3.47Å; W11-W33 HydrophobicContact CZ3-CH2 3.47Å; W11-W33 VanDerWaalsContact CZ3-CH2 3.47Å; W11-W33 HydrophobicContact CZ3-CZ2 4.45Å; W11-W33 HydrophobicContact CZ3-CZ3 4.21Å; W11-L36 HydrophobicContact CB-CD1 4.48Å; W11-L36 HydrophobicContact CB-CD2 3.71Å; W11-L36 HydrophobicContact CG-CD2 4.24Å
12R74.9Confident66.7Low93 Ų9380.8 Ų80.835%0.35144%0.443SS..Hα-helixtrans-60.5-42.4175.2-77.7176.8179160.33.5111.7V8 E9 L10 A16 L36 S39 L40V8-R12 WeakPolarHBondContact O-CG 3.45Å; V8-R12 PolarHBondContact O-N 3.31Å; E9-R12 WeakPolarHBondContact O-CB 3.38Å; E9-R12 PolarHBondContact O-N 3.02Å; L10-R12 VanDerWaalsContact C-N 3.29Å; L10-R12 PolarHBondContact O-N 3.03Å; R12-A16 VanDerWaalsContact O-CB 3.25Å; R12-A16 WeakPolarHBondContact O-CB 3.4Å; R12-A16 PolarHBondContact O-N 3.24Å; R12-L36 HydrophobicContact CG-CD1 3.93Å; R12-S39 PolarHBondContact NE-OG 3.18Å; R12-S39 VanDerWaalsContact NH2-CB 3.25Å; R12-S39 PolarHBondContact NH2-OG 2.94Å; R12-L40 HydrophobicContact CB-CD2 3.51Å; R12-L40 HydrophobicContact CG-CD2 3.69Å; R12-L40 HydrophobicContact CG-CG 4.38Å; R12-L40 VanDerWaalsContact O-CD2 3.3Å; R12-L40 WeakPolarHBondContact O-CD2 3.29Å
13V78Confident68.1Low83 Ų8371.5 Ų71.550%0.50340%0.399SS..Hα-helixtrans-63.5-50.1175176.80000110.6E9 L10 W11 L15 A16 Y17E9-V13 WeakPolarHBondContact O-CG2 3.33Å; E9-V13 PolarHBondContact O-N 2.88Å; E9-V13 VanDerWaalsContact O-N 3.16Å; L10-V13 PolarHBondContact O-N 3.4Å; W11-V13 VanDerWaalsContact C-N 3.3Å; W11-V13 PolarHBondContact O-N 2.94Å; V13-L15 PolarHBondContact O-N 3.25Å; V13-A16 WeakPolarHBondContact O-CB 3.23Å; V13-A16 PolarHBondContact O-N 3.25Å; V13-A16 VanDerWaalsContact O-N 3.15Å; V13-Y17 HydrophobicContact CG1-CD2 4.24Å; V13-Y17 HydrophobicContact CG1-CE2 3.94Å; V13-Y17 WeakPolarHBondContact O-CD2 3.49Å; V13-Y17 PolarHBondContact O-N 3.44Å
14I76.2Confident68.9Low67 Ų6767.9 Ų67.934%0.34438%0.378SS..Hα-helixtrans-57.2-48.5179.5-67.2165.1000111.2L6 L10 W11 A16 Y17L6-I14 HydrophobicContact CD1-CD1 4.09Å; L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3Å; L10-I14 PolarHBondContact O-N 3.2Å; W11-I14 HydrophobicContact CE3-CB 4.33Å; W11-I14 HydrophobicContact CE3-CD1 4.04Å; W11-I14 HydrophobicContact CE3-CG2 4.28Å; W11-I14 HydrophobicContact CZ3-CD1 4.24Å; W11-I14 HydrophobicContact CZ3-CG2 4.26Å; W11-I14 PolarHBondContact O-N 3.38Å; I14-A16 VanDerWaalsContact C-N 3.33Å; I14-A16 PolarHBondContact O-N 3.36Å; I14-Y17 PolarHBondContact O-N 3.38Å
15L73.3Confident69.4Low2 Ų271.3 Ų71.31%0.0137%0.369CS..Hα-helixtrans-66-34.3179.3-70176.3000111.9W11 V13 Y17 L18 L23 W33 L36 I37 L40W11-L15 VanDerWaalsContact O-CB 3.24Å; W11-L15 WeakPolarHBondContact O-CB 3.43Å; W11-L15 WeakPolarHBondContact O-CG 3.39Å; W11-L15 PolarHBondContact O-N 3.24Å; V13-L15 PolarHBondContact O-N 3.25Å; L15-Y17 PolarHBondContact O-N 2.72Å; L15-L18 HydrophobicContact CD2-CD1 3.57Å; L15-L18 PolarHBondContact O-N 3.16Å; L15-L18 VanDerWaalsContact O-N 3.08Å; L15-L23 HydrophobicContact CB-CD2 3.91Å; L15-L23 HydrophobicContact CD2-CD2 4.07Å; L15-L23 WeakPolarHBondContact O-CD2 3.29Å; L15-W33 HydrophobicContact CD1-CE3 4.06Å; L15-W33 HydrophobicContact CD1-CZ3 3.88Å; L15-W33 HydrophobicContact CD2-CE3 4.25Å; L15-W33 HydrophobicContact CD2-CZ3 3.78Å; L15-W33 HydrophobicContact CG-CZ3 4.12Å; L15-L36 HydrophobicContact CD1-CD2 3.59Å; L15-L36 HydrophobicContact CD1-CG 3.8Å; L15-I37 HydrophobicContact CD1-CG1 3.92Å; L15-L40 HydrophobicContact CB-CD1 3.76Å; L15-L40 HydrophobicContact CD1-CD1 4.39Å
16A73.6Confident69.4Low29 Ų2967.6 Ų67.624%0.2434%0.343CS..Hα-helixtrans-63.7-20.2177.100000113.7R12 V13 I14 R44R12-A16 VanDerWaalsContact O-CB 3.25Å; R12-A16 WeakPolarHBondContact O-CB 3.4Å; R12-A16 PolarHBondContact O-N 3.24Å; V13-A16 WeakPolarHBondContact O-CB 3.23Å; V13-A16 PolarHBondContact O-N 3.25Å; V13-A16 VanDerWaalsContact O-N 3.15Å; I14-A16 VanDerWaalsContact C-N 3.33Å; I14-A16 PolarHBondContact O-N 3.36Å; A16-R44 PolarHBondContact O-NH2 3.36Å
17Y76.6Confident69.1Low198 Ų19865.6 Ų65.678%0.77633%0.333SS*.THydrogen-bonded Turntrans-94.4-8.5175.1-76-77.1000114.1V13 I14 L15V13-Y17 HydrophobicContact CG1-CD2 4.24Å; V13-Y17 HydrophobicContact CG1-CE2 3.94Å; V13-Y17 WeakPolarHBondContact O-CD2 3.49Å; V13-Y17 PolarHBondContact O-N 3.44Å; I14-Y17 PolarHBondContact O-N 3.38Å; L15-Y17 PolarHBondContact O-N 2.72Å
18L69.7Low67.8Low54 Ų5468.4 Ų68.428%0.28334%0.341SS..SBendtrans-71.7140.3175.7-77.4174.1000111L15 D22 L23L15-L18 HydrophobicContact CD2-CD1 3.57Å; L15-L18 PolarHBondContact O-N 3.16Å; L15-L18 VanDerWaalsContact O-N 3.08Å; L18-D22 HydrophobicContact CB-CB 4.24Å; L18-D22 HydrophobicContact CD2-CB 4.11Å; L18-L23 HydrophobicContact CB-CD2 4.27Å; L18-L23 HydrophobicContact CB-CG 3.92Å; L18-L23 HydrophobicContact CD1-CD2 4.48Å
19P64.8Low66.9Low74 Ų7469.5 Ų69.548%0.48135%0.347SS..  trans-54.8150168.2-23.132.8000111.6P21 D22 L23P19-P21 VanDerWaalsContact C-CD 3.43Å; P19-P21 VanDerWaalsContact C-N 3.31Å; P19-D22 WeakPolarHBondContact CD-OD2 3.37Å; P19-D22 WeakPolarHBondContact CG-OD2 3.36Å; P19-D22 PolarHBondContact O-N 2.91Å; P19-L23 PolarHBondContact O-N 3.19Å; P19-L23 VanDerWaalsContact O-N 3.16Å
20L60Low65.9Low74 Ų7465.4 Ų65.439%0.38733%0.332SS..Hα-helixtrans-50.9-42.6-179.4-81.3109.8000113.9D22 L23 G24 Q47 L48L20-D22 VanDerWaalsContact C-N 3.31Å; L20-D22 PolarHBondContact O-N 2.86Å; L20-L23 PolarHBondContact O-N 3.23Å; L20-G24 PolarHBondContact O-N 3.02Å; L20-G24 VanDerWaalsContact O-N 3.09Å; L20-Q47 HydrophobicContact CD2-CB 4.43Å; L20-L48 HydrophobicContact CB-CD2 3.56Å; L20-L48 HydrophobicContact CD2-CB 4.43Å; L20-L48 HydrophobicContact CD2-CD2 3.54Å; L20-L48 HydrophobicContact CD2-CG 3.72Å; L20-L48 HydrophobicContact CG-CD2 3.69Å; L20-L48 HydrophobicContact CG-CG 4.32Å; L20-L48 WeakPolarHBondContact O-CD2 3.5Å
21P55.3Low64.7Low53 Ų5370.3 Ų70.334%0.34434%0.344SS..Hα-helixtrans-61.8-35.8177.2-24.535.3000114P19 G24 R25P19-P21 VanDerWaalsContact C-CD 3.43Å; P19-P21 VanDerWaalsContact C-N 3.31Å; P21-G24 PolarHBondContact O-N 3.43Å; P21-R25 PolarHBondContact O-N 3.18Å
22D66.4Low64Low48 Ų4870.1 Ų70.126%0.25735%0.354SS..Hα-helixtrans-73.6-36.8-179.2-66.7-45.2000112.2L18 P19 L20 G24 R25 C26L18-D22 HydrophobicContact CB-CB 4.24Å; L18-D22 HydrophobicContact CD2-CB 4.11Å; P19-D22 WeakPolarHBondContact CD-OD2 3.37Å; P19-D22 WeakPolarHBondContact CG-OD2 3.36Å; P19-D22 PolarHBondContact O-N 2.91Å; L20-D22 VanDerWaalsContact C-N 3.31Å; L20-D22 PolarHBondContact O-N 2.86Å; D22-G24 VanDerWaalsContact C-N 3.3Å; D22-G24 PolarHBondContact O-N 3.29Å; D22-R25 PolarHBondContact O-N 3.43Å; D22-R25 VanDerWaalsContact O-N 3.14Å; D22-R25 IonicContact OD1-CZ 2.89Å; D22-R25 IonicContact OD1-NE 2.64Å; D22-R25 PolarHBondContact OD1-NE 3.14Å; D22-R25 IonicContact OD1-NH2 3.32Å; D22-R25 PolarHBondContact OD1-NH2 3.36Å; D22-C26 PolarHBondContact O-N 2.92Å; D22-C26 PolarHBondContact O-SG 2.62Å; D22-C26 VanDerWaalsContact O-SG 3.35Å
23L66Low63.5Low3 Ų367.7 Ų67.72%0.01635%0.345CS..Hα-helixtrans-60.1-41.4169.5-77.2170.1000111.8L15 L18 P19 L20 R25 C26 C27 I37 L48L15-L23 HydrophobicContact CB-CD2 3.91Å; L15-L23 HydrophobicContact CD2-CD2 4.07Å; L15-L23 WeakPolarHBondContact O-CD2 3.29Å; L18-L23 HydrophobicContact CB-CD2 4.27Å; L18-L23 HydrophobicContact CB-CG 3.92Å; L18-L23 HydrophobicContact CD1-CD2 4.48Å; P19-L23 PolarHBondContact O-N 3.19Å; P19-L23 VanDerWaalsContact O-N 3.16Å; L20-L23 PolarHBondContact O-N 3.23Å; L23-R25 VanDerWaalsContact C-N 3.32Å; L23-R25 PolarHBondContact O-N 3.22Å; L23-C26 PolarHBondContact O-N 3.37Å; L23-C27 PolarHBondContact O-N 3.08Å; L23-C27 VanDerWaalsContact O-N 3.14Å; L23-I37 HydrophobicContact CD2-CD1 4.37Å; L23-I37 HydrophobicContact CD2-CG1 4.28Å; L23-I37 WeakPolarHBondContact O-CD1 3.47Å; L23-L48 HydrophobicContact CB-CD1 4.14Å; L23-L48 HydrophobicContact CB-CD2 3.84Å; L23-L48 HydrophobicContact CD1-CD1 4.33Å; L23-L48 HydrophobicContact CD1-CD2 4.44Å
24G60.8Low62.9Low2 Ų268.6 Ų68.62%0.02134%0.34CS..Hα-helixtrans-59.1-39.7172.500000112.8L20 P21 D22 C27L20-G24 PolarHBondContact O-N 3.02Å; L20-G24 VanDerWaalsContact O-N 3.09Å; P21-G24 PolarHBondContact O-N 3.43Å; D22-G24 VanDerWaalsContact C-N 3.3Å; D22-G24 PolarHBondContact O-N 3.29Å; G24-C27 PolarHBondContact O-SG 3.02Å
25R58.4Low62.4Low142 Ų14269.8 Ų69.854%0.53634%0.344SS..Hα-helixtrans-70.1-43.9175.5-70.2-171.7-87.5-130.96.9112.7P21 D22 L23 C27 Q28P21-R25 PolarHBondContact O-N 3.18Å; D22-R25 PolarHBondContact O-N 3.43Å; D22-R25 VanDerWaalsContact O-N 3.14Å; D22-R25 IonicContact OD1-CZ 2.89Å; D22-R25 IonicContact OD1-NE 2.64Å; D22-R25 PolarHBondContact OD1-NE 3.14Å; D22-R25 IonicContact OD1-NH2 3.32Å; D22-R25 PolarHBondContact OD1-NH2 3.36Å; L23-R25 VanDerWaalsContact C-N 3.32Å; L23-R25 PolarHBondContact O-N 3.22Å; R25-C27 VanDerWaalsContact C-N 3.32Å; R25-C27 PolarHBondContact O-N 3.39Å; R25-Q28 PolarHBondContact O-N 3.14Å
26C60.7Low62.3Low32 Ų3270.8 Ų70.822%0.21635%0.349CS..Hα-helixtrans-60.5-38.2179.8-71.50000112.9D22 L23 Q28 V29 W33 I37D22-C26 PolarHBondContact O-N 2.92Å; D22-C26 PolarHBondContact O-SG 2.62Å; D22-C26 VanDerWaalsContact O-SG 3.35Å; L23-C26 PolarHBondContact O-N 3.37Å; C26-Q28 PolarHBondContact O-N 3.5Å; C26-V29 WeakPolarHBondContact O-CB 3.47Å; C26-V29 PolarHBondContact O-N 3.02Å; C26-W33 VanDerWaalsContact O-CB 3.29Å; C26-W33 WeakPolarHBondContact O-CB 3.17Å; C26-I37 HydrophobicContact CB-CD1 3.88Å
27C59.2Low62Low16 Ų1669.6 Ų69.611%0.10834%0.339CS..Hα-helixtrans-69.1-17-178.570.40000114L23 G24 R25 I37 W45L23-C27 PolarHBondContact O-N 3.08Å; L23-C27 VanDerWaalsContact O-N 3.14Å; G24-C27 PolarHBondContact O-SG 3.02Å; R25-C27 VanDerWaalsContact C-N 3.32Å; R25-C27 PolarHBondContact O-N 3.39Å; C27-I37 HydrophobicContact CB-CD1 3.62Å; C27-W45 HydrophobicContact CB-CH2 4.26Å; C27-W45 HydrophobicContact CB-CZ3 4.09Å; C27-W45 WeakPolarHBondContact SG-CH2 3.27Å; C27-W45 VanDerWaalsContact SG-CZ3 3.56Å
28Q50.8Low61.5Low131 Ų13163.1 Ų63.161%0.61232%0.315SS*.THydrogen-bonded Turntrans-85.2-14.1177.2-63.4179.66.600113.1R25 C26R25-Q28 PolarHBondContact O-N 3.14Å; C26-Q28 PolarHBondContact O-N 3.5Å
29V51.1Low61.6Low94 Ų9463 Ų6357%0.5732%0.318SS*.THydrogen-bonded Turntrans-71.4-47.3-173-179.90000112M1 C26M1-V29 HydrophobicContact CE-CG1 4.16Å; C26-V29 WeakPolarHBondContact O-CB 3.47Å; C26-V29 PolarHBondContact O-N 3.02Å
30C53.9Low61.7Low37 Ų3761.7 Ų61.725%0.2531%0.307CS..  trans-163.2169.2174.886.50000112.9M1 A32 W33 R34M1-C30 HydrophobicContact CE-CB 4.03Å; M1-C30 WeakPolarHBondContact CE-SG 3.28Å; M1-C30 PolarHBondContact SD-SG 3.3Å; C30-A32 VanDerWaalsContact C-N 3.31Å; C30-A32 PolarHBondContact O-N 3.02Å; C30-A32 PolarHBondContact SG-N 2.65Å; C30-A32 VanDerWaalsContact SG-N 3.36Å; C30-W33 PolarHBondContact O-N 2.85Å; C30-W33 VanDerWaalsContact SG-CD1 3.51Å; C30-R34 PolarHBondContact O-N 3.33Å
31R52.5Low61.8Low188 Ų18861.7 Ų61.771%0.70931%0.307SS*.Hα-helixtrans-56.2-40.5178.5-173175.8-179.9-176.9-2.2113R34 E35R31-R34 WeakPolarHBondContact O-CB 3.3Å; R31-R34 PolarHBondContact O-N 3.43Å; R31-E35 HydrophobicContact CG-CG 4.39Å; R31-E35 WeakPolarHBondContact O-CG 3.45Å; R31-E35 PolarHBondContact O-N 3.32Å
32A61.4Low61.9Low52 Ų5264.8 Ų64.843%0.4332%0.321SS..Hα-helixtrans-65.1-43.1-178.600000112.4C30 R34 E35 L36C30-A32 VanDerWaalsContact C-N 3.31Å; C30-A32 PolarHBondContact O-N 3.02Å; C30-A32 PolarHBondContact SG-N 2.65Å; C30-A32 VanDerWaalsContact SG-N 3.36Å; A32-R34 VanDerWaalsContact C-N 3.3Å; A32-R34 PolarHBondContact O-N 3.45Å; A32-E35 PolarHBondContact O-N 2.84Å; A32-L36 VanDerWaalsContact O-CB 3.27Å; A32-L36 WeakPolarHBondContact O-CB 3.45Å; A32-L36 PolarHBondContact O-N 3.45Å
33W65.4Low61.5Low42 Ų4266.3 Ų66.316%0.15933%0.332CS..Hα-helixtrans-61.9-38.6174.2-78.5111.7000112.7M1 W11 L15 C26 C30 L36 I37M1-W33 VanDerWaalsContact CE-CD1 3.44Å; M1-W33 PolarHBondContact SD-NE1 2.92Å; W11-W33 AromaticContact CD2-CH2 3.8Å; W11-W33 HydrophobicContact CD2-CH2 3.8Å; W11-W33 HydrophobicContact CD2-CZ3 4.19Å; W11-W33 AromaticContact CE3-CH2 3.49Å; W11-W33 HydrophobicContact CE3-CH2 3.49Å; W11-W33 VanDerWaalsContact CE3-CH2 3.49Å; W11-W33 AromaticContact CE3-CZ3 3.86Å; W11-W33 HydrophobicContact CE3-CZ3 3.86Å; W11-W33 AromaticContact CH2-CH2 3.7Å; W11-W33 HydrophobicContact CH2-CH2 3.7Å; W11-W33 HydrophobicContact CH2-CZ2 4.28Å; W11-W33 AromaticContact CZ2-CH2 3.97Å; W11-W33 HydrophobicContact CZ2-CH2 3.97Å; W11-W33 HydrophobicContact CZ2-CZ2 4.37Å; W11-W33 AromaticContact CZ3-CH2 3.47Å; W11-W33 HydrophobicContact CZ3-CH2 3.47Å; W11-W33 VanDerWaalsContact CZ3-CH2 3.47Å; W11-W33 HydrophobicContact CZ3-CZ2 4.45Å; W11-W33 HydrophobicContact CZ3-CZ3 4.21Å; L15-W33 HydrophobicContact CD1-CE3 4.06Å; L15-W33 HydrophobicContact CD1-CZ3 3.88Å; L15-W33 HydrophobicContact CD2-CE3 4.25Å; L15-W33 HydrophobicContact CD2-CZ3 3.78Å; L15-W33 HydrophobicContact CG-CZ3 4.12Å; C26-W33 VanDerWaalsContact O-CB 3.29Å; C26-W33 WeakPolarHBondContact O-CB 3.17Å; C30-W33 PolarHBondContact O-N 2.85Å; C30-W33 VanDerWaalsContact SG-CD1 3.51Å; W33-L36 HydrophobicContact CE3-CD2 3.94Å; W33-L36 HydrophobicContact CZ3-CD2 4Å; W33-L36 PolarHBondContact O-N 3.16Å; W33-I37 WeakPolarHBondContact O-CD1 3.25Å; W33-I37 VanDerWaalsContact O-CG1 3.28Å; W33-I37 WeakPolarHBondContact O-CG1 3.24Å; W33-I37 PolarHBondContact O-N 3.19Å
34R64.2Low61Low102 Ų10270.5 Ų70.539%0.38535%0.348SS..Hα-helixtrans-63.3-53.5176.4-170.9-17468.3-168.32.7111.4C30 R31 A32 L36 I37 F38C30-R34 PolarHBondContact O-N 3.33Å; R31-R34 WeakPolarHBondContact O-CB 3.3Å; R31-R34 PolarHBondContact O-N 3.43Å; A32-R34 VanDerWaalsContact C-N 3.3Å; A32-R34 PolarHBondContact O-N 3.45Å; R34-L36 PolarHBondContact O-N 3.33Å; R34-I37 PolarHBondContact O-N 3.28Å; R34-I37 VanDerWaalsContact O-N 3.14Å; R34-F38 HydrophobicContact CG-CD2 3.86Å; R34-F38 HydrophobicContact CG-CE2 3.77Å; R34-F38 VanDerWaalsContact O-CD2 3.32Å; R34-F38 WeakPolarHBondContact O-CD2 3.48Å; R34-F38 PolarHBondContact O-N 2.87Å
35E67.2Low60.9Low93 Ų9372.6 Ų72.644%0.43536%0.355SS..Hα-helixtrans-59.8-36.4179.4-60.1-54.2142.500111.9R31 A32 F38 S39R31-E35 HydrophobicContact CG-CG 4.39Å; R31-E35 WeakPolarHBondContact O-CG 3.45Å; R31-E35 PolarHBondContact O-N 3.32Å; A32-E35 PolarHBondContact O-N 2.84Å; E35-F38 PolarHBondContact O-N 3.39Å; E35-S39 PolarHBondContact O-N 3.23Å; E35-S39 VanDerWaalsContact O-N 3.08Å
36L69.9Low60.7Low22 Ų2271 Ų7112%0.11535%0.349CS..Hα-helixtrans-63.9-42.6175.8-177.466.3000112.3V8 W11 R12 L15 A32 W33 R34 S39V8-L36 HydrophobicContact CG1-CD1 3.61Å; W11-L36 HydrophobicContact CB-CD1 4.48Å; W11-L36 HydrophobicContact CB-CD2 3.71Å; W11-L36 HydrophobicContact CG-CD2 4.24Å; R12-L36 HydrophobicContact CG-CD1 3.93Å; L15-L36 HydrophobicContact CD1-CD2 3.59Å; L15-L36 HydrophobicContact CD1-CG 3.8Å; A32-L36 VanDerWaalsContact O-CB 3.27Å; A32-L36 WeakPolarHBondContact O-CB 3.45Å; A32-L36 PolarHBondContact O-N 3.45Å; W33-L36 HydrophobicContact CE3-CD2 3.94Å; W33-L36 HydrophobicContact CZ3-CD2 4Å; W33-L36 PolarHBondContact O-N 3.16Å; R34-L36 PolarHBondContact O-N 3.33Å; L36-S39 PolarHBondContact O-N 2.89Å; L36-S39 PolarHBondContact O-OG 3.17Å
37I68.6Low60.5Low5 Ų575.3 Ų75.33%0.02637%0.366CS..Hα-helixtrans-69-38.4175.8-69.7165.2000111.4L15 L23 C26 C27 W33 R34 S39 L40 W45L15-I37 HydrophobicContact CD1-CG1 3.92Å; L23-I37 HydrophobicContact CD2-CD1 4.37Å; L23-I37 HydrophobicContact CD2-CG1 4.28Å; L23-I37 WeakPolarHBondContact O-CD1 3.47Å; C26-I37 HydrophobicContact CB-CD1 3.88Å; C27-I37 HydrophobicContact CB-CD1 3.62Å; W33-I37 WeakPolarHBondContact O-CD1 3.25Å; W33-I37 VanDerWaalsContact O-CG1 3.28Å; W33-I37 WeakPolarHBondContact O-CG1 3.24Å; W33-I37 PolarHBondContact O-N 3.19Å; R34-I37 PolarHBondContact O-N 3.28Å; R34-I37 VanDerWaalsContact O-N 3.14Å; I37-S39 PolarHBondContact O-N 3.48Å; I37-L40 WeakPolarHBondContact O-CB 3.21Å; I37-L40 PolarHBondContact O-N 2.7Å; I37-W45 HydrophobicContact CG2-CE3 4.12Å; I37-W45 HydrophobicContact CG2-CZ3 4.46Å
38F65.8Low60.3Low62 Ų6274.9 Ų74.927%0.27236%0.363SS..Hα-helixtrans-58.7-32.3172.2-93.7-83.2000112.3R34 E35 L40 W45R34-F38 HydrophobicContact CG-CD2 3.86Å; R34-F38 HydrophobicContact CG-CE2 3.77Å; R34-F38 VanDerWaalsContact O-CD2 3.32Å; R34-F38 WeakPolarHBondContact O-CD2 3.48Å; R34-F38 PolarHBondContact O-N 2.87Å; E35-F38 PolarHBondContact O-N 3.39Å; F38-L40 VanDerWaalsContact C-N 3.26Å; F38-L40 PolarHBondContact O-N 2.89Å; F38-W45 AromaticContact CE1-CD1 3.92Å; F38-W45 HydrophobicContact CE1-CG 4.45Å; F38-W45 AromaticContact CZ-CD1 3.93Å; F38-W45 HydrophobicContact CZ-CG 4.49Å; F38-W45 AromaticContact CZ-NE1 3.66Å
39S71.3Confident60.4Low50 Ų5069.8 Ų69.835%0.3534%0.341SS..THydrogen-bonded Turntrans-77.5-3.9-179.575.80000115.3R12 E35 L36 I37R12-S39 PolarHBondContact NE-OG 3.18Å; R12-S39 VanDerWaalsContact NH2-CB 3.25Å; R12-S39 PolarHBondContact NH2-OG 2.94Å; E35-S39 PolarHBondContact O-N 3.23Å; E35-S39 VanDerWaalsContact O-N 3.08Å; L36-S39 PolarHBondContact O-N 2.89Å; L36-S39 PolarHBondContact O-OG 3.17Å; I37-S39 PolarHBondContact O-N 3.48Å
40L65.9Low60.4Low48 Ų4868.3 Ų68.325%0.25133%0.33SS..THydrogen-bonded Turntrans-81.5-49.4-179.4-73.2169.1000113R12 L15 I37 F38R12-L40 HydrophobicContact CB-CD2 3.51Å; R12-L40 HydrophobicContact CG-CD2 3.69Å; R12-L40 HydrophobicContact CG-CG 4.38Å; R12-L40 VanDerWaalsContact O-CD2 3.3Å; R12-L40 WeakPolarHBondContact O-CD2 3.29Å; L15-L40 HydrophobicContact CB-CD1 3.76Å; L15-L40 HydrophobicContact CD1-CD1 4.39Å; I37-L40 WeakPolarHBondContact O-CB 3.21Å; I37-L40 PolarHBondContact O-N 2.7Å; F38-L40 VanDerWaalsContact C-N 3.26Å; F38-L40 PolarHBondContact O-N 2.89Å
41D63.2Low60.3Low74 Ų7469.1 Ų69.140%0.39634%0.344SS..  trans-177.8126.3175.7-173.7-19.6000109.8T43 R44 W45D41-T43 VanDerWaalsContact C-N 3.25Å; D41-T43 PolarHBondContact O-N 3.15Å; D41-T43 WeakPolarHBondContact OD1-CB 2.95Å; D41-T43 PolarHBondContact OD1-N 3.2Å; D41-T43 PolarHBondContact OD1-OG1 2.92Å; D41-T43 PolarHBondContact OD2-OG1 2.84Å; D41-R44 HydrophobicContact CB-CB 3.83Å; D41-R44 PolarHBondContact O-N 2.71Å; D41-W45 PolarHBondContact O-N 2.56Å
42N57.6Low60.3Low118 Ų11860.6 Ų60.663%0.63131%0.313SS*.Hα-helixtrans-63.3-29.2178.1-77.8-27.8000112.9R46N42-R46 PolarHBondContact O-N 2.87Å
43T57.8Low59.8Low79 Ų7962.2 Ų62.249%0.48532%0.319SS..Hα-helixtrans-75.5-31.517866.70000111.9D41 R46 Q47D41-T43 VanDerWaalsContact C-N 3.25Å; D41-T43 PolarHBondContact O-N 3.15Å; D41-T43 WeakPolarHBondContact OD1-CB 2.95Å; D41-T43 PolarHBondContact OD1-N 3.2Å; D41-T43 PolarHBondContact OD1-OG1 2.92Å; D41-T43 PolarHBondContact OD2-OG1 2.84Å; T43-R46 WeakPolarHBondContact O-CB 3.29Å; T43-R46 PolarHBondContact O-N 3.37Å; T43-Q47 WeakPolarHBondContact O-CG 3.01Å; T43-Q47 PolarHBondContact O-N 3.41Å
44R56.4Low58.8Low91 Ų9167.8 Ų67.834%0.34335%0.347SS..Hα-helixtrans-72.3-35.7178.3-153.6168.7-171.8-175.9-3.6111.5A16 D41 Q47 L48A16-R44 PolarHBondContact O-NH2 3.36Å; D41-R44 HydrophobicContact CB-CB 3.83Å; D41-R44 PolarHBondContact O-N 2.71Å; R44-Q47 PolarHBondContact O-N 2.64Å; R44-L48 WeakPolarHBondContact O-CB 3.43Å; R44-L48 WeakPolarHBondContact O-CD1 3.01Å; R44-L48 WeakPolarHBondContact O-CG 3.36Å; R44-L48 PolarHBondContact O-N 2.89Å
45W57.3Low57.9Low47 Ų4764.5 Ų64.518%0.17834%0.34CS..Hα-helixtrans-66-38.8169.4-178.2-109.5000113.1C27 I37 F38 D41 Q47 L48 C49C27-W45 HydrophobicContact CB-CH2 4.26Å; C27-W45 HydrophobicContact CB-CZ3 4.09Å; C27-W45 WeakPolarHBondContact SG-CH2 3.27Å; C27-W45 VanDerWaalsContact SG-CZ3 3.56Å; I37-W45 HydrophobicContact CG2-CE3 4.12Å; I37-W45 HydrophobicContact CG2-CZ3 4.46Å; F38-W45 AromaticContact CE1-CD1 3.92Å; F38-W45 HydrophobicContact CE1-CG 4.45Å; F38-W45 AromaticContact CZ-CD1 3.93Å; F38-W45 HydrophobicContact CZ-CG 4.49Å; F38-W45 AromaticContact CZ-NE1 3.66Å; D41-W45 PolarHBondContact O-N 2.56Å; W45-Q47 VanDerWaalsContact C-N 3.32Å; W45-Q47 PolarHBondContact O-N 2.72Å; W45-L48 HydrophobicContact CE3-CB 4.12Å; W45-L48 HydrophobicContact CE3-CD1 3.9Å; W45-L48 HydrophobicContact CZ3-CB 4.5Å; W45-L48 HydrophobicContact CZ3-CD1 4.48Å; W45-L48 WeakPolarHBondContact O-CB 3.26Å; W45-L48 PolarHBondContact O-N 3.33Å; W45-C49 VanDerWaalsContact CZ2-SG 3.54Å; W45-C49 PolarHBondContact NE1-SG 2.92Å; W45-C49 PolarHBondContact O-N 3.34Å; W45-C49 PolarHBondContact O-SG 2.76Å; W45-C49 VanDerWaalsContact O-SG 3.37Å
46R55.3Low57Low109 Ų10963.4 Ų63.441%0.41133%0.331SS..Hα-helixtrans-59.5-43.2171.9176.4-178.5168.6172.3-1.8111.1N42 T43 L50 E67N42-R46 PolarHBondContact O-N 2.87Å; T43-R46 WeakPolarHBondContact O-CB 3.29Å; T43-R46 PolarHBondContact O-N 3.37Å; R46-L50 HydrophobicContact CG-CD1 4.1Å; R46-L50 WeakPolarHBondContact O-CB 3.29Å; R46-L50 VanDerWaalsContact O-CG 3.24Å; R46-L50 WeakPolarHBondContact O-CG 3.41Å; R46-L50 PolarHBondContact O-N 3.46Å; R46-L50 VanDerWaalsContact O-N 3.12Å; R46-E67 IonicContact CZ-OE1 2.97Å; R46-E67 IonicContact NH1-OE1 3.11Å; R46-E67 IonicContact NH2-OE1 2.79Å; R46-E67 PolarHBondContact NH2-OE1 2.74Å
47Q56Low55.9Low122 Ų12263.3 Ų63.357%0.5733%0.33SS*.Hα-helixtrans-67.2-35.6173-71.8177.6-10.900113L20 T43 R44 W45 G51L20-Q47 HydrophobicContact CD2-CB 4.43Å; T43-Q47 WeakPolarHBondContact O-CG 3.01Å; T43-Q47 PolarHBondContact O-N 3.41Å; R44-Q47 PolarHBondContact O-N 2.64Å; W45-Q47 VanDerWaalsContact C-N 3.32Å; W45-Q47 PolarHBondContact O-N 2.72Å; Q47-G51 WeakPolarHBondContact O-CA 3.2Å; Q47-G51 PolarHBondContact O-N 3.06Å
48L55.2Low54.6Low7 Ų765.5 Ų65.54%0.03735%0.345CS..Hα-helixtrans-64.7-47.2174.6-75.2160.4000112.3L20 L23 R44 W45 L50 G51 C52L20-L48 HydrophobicContact CB-CD2 3.56Å; L20-L48 HydrophobicContact CD2-CB 4.43Å; L20-L48 HydrophobicContact CD2-CD2 3.54Å; L20-L48 HydrophobicContact CD2-CG 3.72Å; L20-L48 HydrophobicContact CG-CD2 3.69Å; L20-L48 HydrophobicContact CG-CG 4.32Å; L20-L48 WeakPolarHBondContact O-CD2 3.5Å; L23-L48 HydrophobicContact CB-CD1 4.14Å; L23-L48 HydrophobicContact CB-CD2 3.84Å; L23-L48 HydrophobicContact CD1-CD1 4.33Å; L23-L48 HydrophobicContact CD1-CD2 4.44Å; R44-L48 WeakPolarHBondContact O-CB 3.43Å; R44-L48 WeakPolarHBondContact O-CD1 3.01Å; R44-L48 WeakPolarHBondContact O-CG 3.36Å; R44-L48 PolarHBondContact O-N 2.89Å; W45-L48 HydrophobicContact CE3-CB 4.12Å; W45-L48 HydrophobicContact CE3-CD1 3.9Å; W45-L48 HydrophobicContact CZ3-CB 4.5Å; W45-L48 HydrophobicContact CZ3-CD1 4.48Å; W45-L48 WeakPolarHBondContact O-CB 3.26Å; W45-L48 PolarHBondContact O-N 3.33Å; L48-L50 VanDerWaalsContact C-N 3.32Å; L48-L50 PolarHBondContact O-N 3.14Å; L48-G51 PolarHBondContact O-N 3.46Å; L48-C52 WeakPolarHBondContact O-CB 3.4Å; L48-C52 PolarHBondContact O-N 2.92Å
49C52.9Low53.5Low23 Ų2365 Ų6516%0.15535%0.345CS..Hα-helixtrans-65.3-35.8178-690000112.3W45 R56W45-C49 VanDerWaalsContact CZ2-SG 3.54Å; W45-C49 PolarHBondContact NE1-SG 2.92Å; W45-C49 PolarHBondContact O-N 3.34Å; W45-C49 PolarHBondContact O-SG 2.76Å; W45-C49 VanDerWaalsContact O-SG 3.37Å; C49-R56 PolarHBondContact O-NE 2.98Å
50L50.7Low52.4Low64 Ų6464.6 Ų64.634%0.33534%0.336SS..Hα-helixtrans-82-25.7177-66.6173.6000112.8R46 L48 R56 P64R46-L50 HydrophobicContact CG-CD1 4.1Å; R46-L50 WeakPolarHBondContact O-CB 3.29Å; R46-L50 VanDerWaalsContact O-CG 3.24Å; R46-L50 WeakPolarHBondContact O-CG 3.41Å; R46-L50 PolarHBondContact O-N 3.46Å; R46-L50 VanDerWaalsContact O-N 3.12Å; L48-L50 VanDerWaalsContact C-N 3.32Å; L48-L50 PolarHBondContact O-N 3.14Å; L50-R56 VanDerWaalsContact C-NH2 3.29Å; L50-R56 PolarHBondContact O-NH2 2.64Å; L50-P64 WeakPolarHBondContact CD2-O 3.16Å
51G51.7Low51.6Low54 Ų5465.3 Ų65.356%0.55734%0.343SS*.Hα-helixtrans-95.9-14.5-174.300000115.4Q47 L48 P53Q47-G51 WeakPolarHBondContact O-CA 3.2Å; Q47-G51 PolarHBondContact O-N 3.06Å; L48-G51 PolarHBondContact O-N 3.46Å; G51-P53 WeakPolarHBondContact O-CD 3.35Å
52C53.2Low50.7Low9 Ų965 Ų656%0.06135%0.347CS..  trans-119.592.5-174.1-1240000111.9L48 E54 C55L48-C52 WeakPolarHBondContact O-CB 3.4Å; L48-C52 PolarHBondContact O-N 2.92Å; C52-E54 PolarHBondContact O-N 3.31Å; C52-C55 HydrophobicContact CB-CB 4.32Å; C52-C55 PolarHBondContact O-N 3.09Å; C52-C55 VanDerWaalsContact O-N 3.16Å
53P50.9Low50.2Low85 Ų8563.1 Ų63.155%0.55233%0.334SS*.G310 helixtrans-57.2-34.1179.8-22.732.3000113.2G51 C55 R56G51-P53 WeakPolarHBondContact O-CD 3.35Å; P53-C55 PolarHBondContact O-N 3.35Å; P53-R56 WeakPolarHBondContact O-CB 3.15Å; P53-R56 PolarHBondContact O-N 3.37Å; P53-R56 VanDerWaalsContact O-N 3.12Å
54E44.9Very low49.8Very low159 Ų15960.9 Ų60.974%0.74332%0.321SS*.G310 helixtrans-64.7-22.7-179-63164.6-164.300113.5C52C52-E54 PolarHBondContact O-N 3.31Å
55C44.9Very low49.1Very low34 Ų3463.5 Ų63.523%0.2334%0.337CS..G310 helixtrans-94.5-2.9178.6-65.40000113C52 P53C52-C55 HydrophobicContact CB-CB 4.32Å; C52-C55 PolarHBondContact O-N 3.09Å; C52-C55 VanDerWaalsContact O-N 3.16Å; P53-C55 PolarHBondContact O-N 3.35Å
56R48.3Very low48.5Very low69 Ų6965.9 Ų65.926%0.2635%0.353SS..SBendtrans-86.1132.1179.8-63-179.8-178.7177.9-2.8109.9C49 L50 P53 W60 P64C49-R56 PolarHBondContact O-NE 2.98Å; L50-R56 VanDerWaalsContact C-NH2 3.29Å; L50-R56 PolarHBondContact O-NH2 2.64Å; P53-R56 WeakPolarHBondContact O-CB 3.15Å; P53-R56 PolarHBondContact O-N 3.37Å; P53-R56 VanDerWaalsContact O-N 3.12Å; R56-W60 HydrophobicContact CB-CB 4.42Å; R56-W60 HydrophobicContact CB-CG 4.42Å; R56-P64 VanDerWaalsContact NH1-CB 3.27Å
57H45.5Very low47.9Very low21 Ų2166.7 Ų66.710%0.09736%0.361CS..  trans-67145.1172.4-168.2-78.9000109.2N59 W60 W85H57-N59 PolarHBondContact CE1-ND2 3.25Å; H57-N59 VanDerWaalsContact ND1-CB 3.34Å; H57-N59 WeakPolarHBondContact ND1-CB 3.39Å; H57-N59 PolarHBondContact ND1-N 3.21Å; H57-N59 VanDerWaalsContact ND1-N 3.11Å; H57-N59 PolarHBondContact O-N 3.27Å; H57-W60 WeakPolarHBondContact O-CB 3.04Å; H57-W60 PolarHBondContact O-N 3.35Å; H57-W85 AromaticContact NE2-CE3 3.43Å; H57-W85 AromaticContact NE2-CZ3 3.81Å
58P42.4Very low47.5Very low51 Ų5162.4 Ų62.433%0.33134%0.344SS..THydrogen-bonded Turntrans-58-8.1175.3-26.233.8000115.9W60P58-W60 VanDerWaalsContact C-N 3.34Å
59N42.2Very low47.1Very low52 Ų5269 Ų6928%0.27839%0.387SS..THydrogen-bonded Turntrans-100.517.2177.7-64.9-4.5000111.1H57 F225H57-N59 PolarHBondContact CE1-ND2 3.25Å; H57-N59 VanDerWaalsContact ND1-CB 3.34Å; H57-N59 WeakPolarHBondContact ND1-CB 3.39Å; H57-N59 PolarHBondContact ND1-N 3.21Å; H57-N59 VanDerWaalsContact ND1-N 3.11Å; H57-N59 PolarHBondContact O-N 3.27Å; N59-F225 HydrophobicContact CB-CD2 4.17Å; N59-F225 HydrophobicContact CB-CE2 3.37Å; N59-F225 HydrophobicContact CB-CZ 3.9Å; N59-F225 VanDerWaalsContact O-CZ 3.29Å; N59-F225 WeakPolarHBondContact O-CZ 3.42Å
60W48.4Very low47Very low41 Ų4170.7 Ų70.716%0.15540%0.4CS..SBendtrans-70.3141.1176.7-166.8-94.4000109R56 H57 P58 W71 H78R56-W60 HydrophobicContact CB-CB 4.42Å; R56-W60 HydrophobicContact CB-CG 4.42Å; H57-W60 WeakPolarHBondContact O-CB 3.04Å; H57-W60 PolarHBondContact O-N 3.35Å; P58-W60 VanDerWaalsContact C-N 3.34Å; W60-W71 HydrophobicContact CH2-CZ3 4.27Å; W60-H78 HydrophobicContact CZ3-CB 4.45Å
61P49.8Very low47.3Very low62 Ų6271 Ų7140%0.40340%0.396SS..  trans-52.5145.7-177.9-25.332.7000112.6Q63P61-Q63 PolarHBondContact O-N 2.93Å
62S43Very low47Very low68 Ų6878.7 Ų78.748%0.47641%0.409SS..SBendtrans-58.6-19.6179.950.40000113.6P64S62-P64 VanDerWaalsContact C-CD 3.41Å; S62-P64 WeakPolarHBondContact O-CD 3.02Å
63Q48.7Very low46.8Very low78 Ų7882.1 Ų82.136%0.36442%0.424SS..  trans-116.272.6177.8-65.9177.9-15.200111.7P61 H65 L66P61-Q63 PolarHBondContact O-N 2.93Å; Q63-H65 PolarHBondContact O-N 3.18Å; Q63-H65 VanDerWaalsContact O-N 3.09Å; Q63-L66 HydrophobicContact CB-CB 4.2Å; Q63-L66 HydrophobicContact CB-CD1 3.99Å; Q63-L66 HydrophobicContact CG-CD1 4.18Å; Q63-L66 PolarHBondContact O-N 3.16Å
64P47.4Very low46.8Very low32 Ų3279.1 Ų79.121%0.20841%0.406CS..THydrogen-bonded Turntrans-65.4-13.6-178.626.5-35.3000114.2L50 R56 S62L50-P64 WeakPolarHBondContact CD2-O 3.16Å; R56-P64 VanDerWaalsContact NH1-CB 3.27Å; S62-P64 VanDerWaalsContact C-CD 3.41Å; S62-P64 WeakPolarHBondContact O-CD 3.02Å
65H42.4Very low47.1Very low147 Ų14775.1 Ų75.168%0.68139%0.389SS*.THydrogen-bonded Turntrans-92-15.8-178.642.4-86.2000112.9Q63Q63-H65 PolarHBondContact O-N 3.18Å; Q63-H65 VanDerWaalsContact O-N 3.09Å
66L44.2Very low47.4Very low97 Ų9778.5 Ų78.551%0.50840%0.4SS..SBendtrans-93.6134.9173.7-77.5159.7000108.9Q63Q63-L66 HydrophobicContact CB-CB 4.2Å; Q63-L66 HydrophobicContact CB-CD1 3.99Å; Q63-L66 HydrophobicContact CG-CD1 4.18Å; Q63-L66 PolarHBondContact O-N 3.16Å
67E44.1Very low47.4Very low125 Ų12579.8 Ų79.858%0.58441%0.409SS*.PPolyproline II helixtrans-63.9126.3178.7-72.1-170.9-17400109.8R46R46-E67 IonicContact CZ-OE1 2.97Å; R46-E67 IonicContact NH1-OE1 3.11Å; R46-E67 IonicContact NH2-OE1 2.79Å; R46-E67 PolarHBondContact NH2-OE1 2.74Å
68P46.7Very low47.6Very low33 Ų3381.2 Ų81.221%0.21442%0.415CS..PPolyproline II helixtrans-64.2142.3174.425.5-32.2000109.7S70 W71 A74P68-S70 PolarHBondContact O-N 3.4Å; P68-W71 HydrophobicContact CG-CD2 3.84Å; P68-W71 HydrophobicContact CG-CE3 4.18Å; P68-W71 HydrophobicContact CG-CG 4.2Å; P68-W71 HydrophobicContact CG-CH2 4.46Å; P68-W71 HydrophobicContact CG-CZ2 4.13Å; P68-W71 HydrophobicContact CG-CZ3 4.48Å; P68-A74 HydrophobicContact CB-CB 4.19Å; P68-A74 HydrophobicContact CG-CB 4.15Å
69P47.7Very low47.8Very low145 Ų14581 Ų8194%0.94242%0.418SS*.SBendtrans-61.6-18.8-175.820.3-30.7000113.7
70S50.6Low47.9Very low59 Ų5982.2 Ų82.241%0.41342%0.424SS..  trans-147.2109.2166.1175.50000110.7P68 R72 E73 A74P68-S70 PolarHBondContact O-N 3.4Å; S70-R72 PolarHBondContact O-N 3.15Å; S70-R72 VanDerWaalsContact O-N 3.14Å; S70-E73 PolarHBondContact O-N 3.08Å; S70-A74 PolarHBondContact O-N 2.81Å
71W55.4Low47.6Very low71 Ų7181.2 Ų81.227%0.26942%0.424SS..Hα-helixtrans-55.9-29.7174.3-85.498.6000112.8W60 P68 L75W60-W71 HydrophobicContact CH2-CZ3 4.27Å; P68-W71 HydrophobicContact CG-CD2 3.84Å; P68-W71 HydrophobicContact CG-CE3 4.18Å; P68-W71 HydrophobicContact CG-CG 4.2Å; P68-W71 HydrophobicContact CG-CH2 4.46Å; P68-W71 HydrophobicContact CG-CZ2 4.13Å; P68-W71 HydrophobicContact CG-CZ3 4.48Å; W71-L75 WeakPolarHBondContact O-CB 3.49Å; W71-L75 WeakPolarHBondContact O-CD1 3.32Å; W71-L75 VanDerWaalsContact O-CG 3.3Å; W71-L75 WeakPolarHBondContact O-CG 3.45Å; W71-L75 PolarHBondContact O-N 3.22Å
72R46.8Very low47.2Very low215 Ų21580.7 Ų80.781%0.81142%0.42SS*.Hα-helixtrans-68-37.5-178.9-160.7176.4-175.7-174.11.1112.4S70 K76S70-R72 PolarHBondContact O-N 3.15Å; S70-R72 VanDerWaalsContact O-N 3.14Å; R72-K76 WeakPolarHBondContact O-CB 3.42Å; R72-K76 PolarHBondContact O-N 3.31Å
73E49.3Very low47.1Very low81 Ų8185 Ų8538%0.37943%0.426SS..Hα-helixtrans-78.7-39.7177.2-169.559.4-148.500111.1S70 L75 K76 Q77S70-E73 PolarHBondContact O-N 3.08Å; E73-L75 VanDerWaalsContact C-N 3.27Å; E73-L75 PolarHBondContact O-N 3.18Å; E73-K76 CarbonylContact O-C 3.55Å; E73-K76 WeakPolarHBondContact O-CA 3.36Å; E73-K76 WeakPolarHBondContact O-CB 3.44Å; E73-K76 PolarHBondContact O-N 3.43Å; E73-K76 IonicContact OE1-NZ 3.95Å; E73-K76 WeakPolarHBondContact OE2-CD 3.33Å; E73-K76 IonicContact OE2-NZ 2.95Å; E73-Q77 WeakPolarHBondContact O-CG 3.48Å; E73-Q77 PolarHBondContact O-N 3.22Å; E73-Q77 PolarHBondContact OE1-NE2 3.15Å
74A50.3Low46.5Very low21 Ų2185.4 Ų85.417%0.17443%0.434CS..Hα-helixtrans-58.1-41.6171.200000111.7P68 S70 Q77 H78P68-A74 HydrophobicContact CB-CB 4.19Å; P68-A74 HydrophobicContact CG-CB 4.15Å; S70-A74 PolarHBondContact O-N 2.81Å; A74-Q77 PolarHBondContact O-N 2.82Å; A74-H78 VanDerWaalsContact O-CB 3.28Å; A74-H78 WeakPolarHBondContact O-CB 3.41Å; A74-H78 PolarHBondContact O-N 3.02Å
75L52Low46Very low76 Ų7689.4 Ų89.440%0.39845%0.445SS..Hα-helixtrans-64-39.4172-86.8158.1000112.3W71 E73 A79W71-L75 WeakPolarHBondContact O-CB 3.49Å; W71-L75 WeakPolarHBondContact O-CD1 3.32Å; W71-L75 VanDerWaalsContact O-CG 3.3Å; W71-L75 WeakPolarHBondContact O-CG 3.45Å; W71-L75 PolarHBondContact O-N 3.22Å; E73-L75 VanDerWaalsContact C-N 3.27Å; E73-L75 PolarHBondContact O-N 3.18Å; L75-A79 WeakPolarHBondContact O-CA 3.12Å; L75-A79 WeakPolarHBondContact O-CB 3.29Å; L75-A79 PolarHBondContact O-N 3.18Å
76K49.9Very low45.6Very low105 Ų10587 Ų8746%0.45744%0.441SS..Hα-helixtrans-67.3-43.2176.4-174.3-171.7171.9-164.20111.1R72 E73 A79 L80R72-K76 WeakPolarHBondContact O-CB 3.42Å; R72-K76 PolarHBondContact O-N 3.31Å; E73-K76 CarbonylContact O-C 3.55Å; E73-K76 WeakPolarHBondContact O-CA 3.36Å; E73-K76 WeakPolarHBondContact O-CB 3.44Å; E73-K76 PolarHBondContact O-N 3.43Å; E73-K76 IonicContact OE1-NZ 3.95Å; E73-K76 WeakPolarHBondContact OE2-CD 3.33Å; E73-K76 IonicContact OE2-NZ 2.95Å; K76-A79 PolarHBondContact O-N 3.35Å; K76-L80 HydrophobicContact CG-CD1 3.88Å; K76-L80 HydrophobicContact CG-CG 4.31Å; K76-L80 WeakPolarHBondContact O-CA 3.42Å; K76-L80 WeakPolarHBondContact O-CB 3.48Å; K76-L80 WeakPolarHBondContact O-CG 3.49Å; K76-L80 PolarHBondContact O-N 3.3Å
77Q49.4Very low45.1Very low95 Ų9591.5 Ų91.544%0.44445%0.451SS..Hα-helixtrans-65.1-43175.8-66.5-60.6-31.600111.1E73 A74 A81E73-Q77 WeakPolarHBondContact O-CG 3.48Å; E73-Q77 PolarHBondContact O-N 3.22Å; E73-Q77 PolarHBondContact OE1-NE2 3.15Å; A74-Q77 PolarHBondContact O-N 2.82Å; Q77-A81 WeakPolarHBondContact O-CB 3.4Å; Q77-A81 PolarHBondContact O-N 3.18Å
78H48.7Very low44.8Very low51 Ų5190.2 Ų90.224%0.23645%0.448CS..Hα-helixtrans-65.5-44.9173.2-17877.4000111.7W60 A74 L80 A81 T82W60-H78 HydrophobicContact CZ3-CB 4.45Å; A74-H78 VanDerWaalsContact O-CB 3.28Å; A74-H78 WeakPolarHBondContact O-CB 3.41Å; A74-H78 PolarHBondContact O-N 3.02Å; H78-L80 PolarHBondContact O-N 3.39Å; H78-A81 PolarHBondContact O-N 2.84Å; H78-T82 WeakPolarHBondContact O-CB 3.47Å; H78-T82 PolarHBondContact O-N 3.4Å; H78-T82 PolarHBondContact O-OG1 2.88Å
79A46.1Very low44.3Very low47 Ų4791.5 Ų91.539%0.38847%0.467SS..Hα-helixtrans-68.8-33178.700000112.3L75 K76 R83L75-A79 WeakPolarHBondContact O-CA 3.12Å; L75-A79 WeakPolarHBondContact O-CB 3.29Å; L75-A79 PolarHBondContact O-N 3.18Å; K76-A79 PolarHBondContact O-N 3.35Å; A79-R83 WeakPolarHBondContact O-CA 3.47Å; A79-R83 WeakPolarHBondContact O-CB 3.44Å; A79-R83 WeakPolarHBondContact O-CG 3.19Å; A79-R83 PolarHBondContact O-N 2.98Å
80L44.8Very low43.6Very low78 Ų7893 Ų9341%0.40846%0.462SS..Hα-helixtrans-71.5-46171.4-76.6170.4000110.2K76 H78 R83 T84K76-L80 HydrophobicContact CG-CD1 3.88Å; K76-L80 HydrophobicContact CG-CG 4.31Å; K76-L80 WeakPolarHBondContact O-CA 3.42Å; K76-L80 WeakPolarHBondContact O-CB 3.48Å; K76-L80 WeakPolarHBondContact O-CG 3.49Å; K76-L80 PolarHBondContact O-N 3.3Å; H78-L80 PolarHBondContact O-N 3.39Å; L80-R83 PolarHBondContact O-N 3.04Å; L80-T84 WeakPolarHBondContact O-CB 3.28Å; L80-T84 PolarHBondContact O-N 3.14Å; L80-T84 PolarHBondContact O-OG1 2.91Å
81A42.6Very low42.6Very low19 Ų1999.4 Ų99.416%0.15749%0.485CS..Hα-helixtrans-57.9-52.6175.200000110Q77 H78 T84 W85Q77-A81 WeakPolarHBondContact O-CB 3.4Å; Q77-A81 PolarHBondContact O-N 3.18Å; H78-A81 PolarHBondContact O-N 2.84Å; A81-T84 PolarHBondContact O-N 3.41Å; A81-W85 WeakPolarHBondContact O-CB 3.17Å; A81-W85 PolarHBondContact O-N 3.1Å
82T40.8Very low41.5Very low51 Ų51102.6 Ų102.631%0.31351%0.507SS..Hα-helixtrans-64.5-39.2176.5-58.50000112.7H78 W85 T86H78-T82 WeakPolarHBondContact O-CB 3.47Å; H78-T82 PolarHBondContact O-N 3.4Å; H78-T82 PolarHBondContact O-OG1 2.88Å; T82-W85 CarbonylContact O-C 3.58Å; T82-W85 WeakPolarHBondContact O-CB 3.26Å; T82-W85 PolarHBondContact O-N 3.27Å; T82-T86 WeakPolarHBondContact O-CB 3.23Å; T82-T86 WeakPolarHBondContact O-CG2 3.27Å; T82-T86 PolarHBondContact O-N 2.79Å; T82-T86 PolarHBondContact O-OG1 3.07Å
83R40.6Very low40.8Very low160 Ų160100 Ų10060%0.60450%0.504SS*.Hα-helixtrans-67.2-43.1172.9-96.5-179.8156.8169.2-5.2112.1A79 L80 W85 T86 R87A79-R83 WeakPolarHBondContact O-CA 3.47Å; A79-R83 WeakPolarHBondContact O-CB 3.44Å; A79-R83 WeakPolarHBondContact O-CG 3.19Å; A79-R83 PolarHBondContact O-N 2.98Å; L80-R83 PolarHBondContact O-N 3.04Å; R83-W85 PolarHBondContact O-N 2.93Å; R83-T86 WeakPolarHBondContact CA-OG1 3.48Å; R83-T86 PolarHBondContact O-N 3Å; R83-T86 VanDerWaalsContact O-N 3.16Å; R83-T86 PolarHBondContact O-OG1 3.15Å; R83-R87 WeakPolarHBondContact O-CA 3.28Å; R83-R87 WeakPolarHBondContact O-CB 3.5Å; R83-R87 PolarHBondContact O-N 3.09Å
84T36.2Very low39.9Very low85 Ų85102 Ų10252%0.52153%0.527SS..Hα-helixtrans-63.4-34176.8-48.50000109.4L80 A81L80-T84 WeakPolarHBondContact O-CB 3.28Å; L80-T84 PolarHBondContact O-N 3.14Å; L80-T84 PolarHBondContact O-OG1 2.91Å; A81-T84 PolarHBondContact O-N 3.41Å
85W36.5Very low39.1Very low116 Ų116105.2 Ų105.244%0.43955%0.548SS..Hα-helixtrans-72.9-26.7175-159.9-89.1000114.4H57 A81 T82 R83 R102H57-W85 AromaticContact NE2-CE3 3.43Å; H57-W85 AromaticContact NE2-CZ3 3.81Å; A81-W85 WeakPolarHBondContact O-CB 3.17Å; A81-W85 PolarHBondContact O-N 3.1Å; T82-W85 CarbonylContact O-C 3.58Å; T82-W85 WeakPolarHBondContact O-CB 3.26Å; T82-W85 PolarHBondContact O-N 3.27Å; R83-W85 PolarHBondContact O-N 2.93Å; W85-R102 VanDerWaalsContact CE2-CZ 3.46Å; W85-R102 PolarHBondContact O-NH1 3.33Å
86T35.1Very low38.6Very low97 Ų97103.6 Ų103.660%0.59555%0.545SS*.Hα-helixtrans-108.4-25.5-175.847.50000114.9T82 R83T82-T86 WeakPolarHBondContact O-CB 3.23Å; T82-T86 WeakPolarHBondContact O-CG2 3.27Å; T82-T86 PolarHBondContact O-N 2.79Å; T82-T86 PolarHBondContact O-OG1 3.07Å; R83-T86 WeakPolarHBondContact CA-OG1 3.48Å; R83-T86 PolarHBondContact O-N 3Å; R83-T86 VanDerWaalsContact O-N 3.16Å; R83-T86 PolarHBondContact O-OG1 3.15Å
87R33.7Very low38.1Very low191 Ų19199.4 Ų99.472%0.72153%0.529SS*.Hα-helixtrans-90.6-18.9-171.9-170.1177.1155.1-167.2-6.5114R83 G89R83-R87 WeakPolarHBondContact O-CA 3.28Å; R83-R87 WeakPolarHBondContact O-CB 3.5Å; R83-R87 PolarHBondContact O-N 3.09Å; R87-G89 PolarHBondContact O-N 2.81Å
88N38Very low37.8Very low99 Ų9998.7 Ų98.753%0.52953%0.528SS..THydrogen-bonded Turntrans-84.634.4176.1-66.7-12.1000112.8Q90 R103N88-Q90 VanDerWaalsContact C-N 3.34Å; N88-R103 PolarHBondContact O-NH2 3.36Å
89G35.2Very low37.6Very low60 Ų6098.7 Ų98.762%0.61953%0.529SS*.THydrogen-bonded Turntrans-77.9-13.3176.100000114.2R87R87-G89 PolarHBondContact O-N 2.81Å
90Q33.8Very low37.4Very low177 Ų177100 Ų10083%0.82753%0.527SS*.SBendtrans-144.3147.6171.8-77.7-176.3-24.200110.7N88N88-Q90 VanDerWaalsContact C-N 3.34Å
91E28.5Very low37.7Very low193 Ų19396.9 Ų96.990%0.90251%0.51SS*.  trans87.3105.4-176.1-63.6-175.3159.600117.1
92L32.3Very low37.8Very low137 Ų137103 Ų10372%0.71753%0.529SS*.  trans-83.6144.1170.5-106.193.7000109.7
93Q32.2Very low37.9Very low161 Ų161106.1 Ų106.175%0.75254%0.535SS*.SBend172.3126.4116.1-83.5-92.9-17.100109
94S32.1Very low38.4Very low124 Ų124103.6 Ų103.687%0.86753%0.525SS*.SBendtrans79.89.5160.767.30000123.4
95S33.6Very low39.3Very low87 Ų87110.1 Ų110.161%0.60855%0.547SS*.  trans-112.726.3176.746.10000115.5C97S95-C97 PolarHBondContact O-N 3.27Å
96A39.7Very low40.6Very low42 Ų42109.5 Ų109.535%0.34755%0.552SS.*  trans-92.791.5-162.600000114.9L99 F100A96-L99 HydrophobicContact CB-CB 4.21Å; A96-L99 HydrophobicContact CB-CD1 4.25Å; A96-F100 HydrophobicContact CB-CD2 4.21Å; A96-F100 HydrophobicContact CB-CE2 3.82Å; A96-F100 HydrophobicContact CB-CZ 4.28Å; A96-F100 WeakPolarHBondContact O-CD2 3.37Å; A96-F100 WeakPolarHBondContact O-CE2 3.42Å
97C39.3Very low42.6Very low18 Ų18107.3 Ų107.312%0.12253%0.533CS..SBendtrans-134.9-42.1152.9-96.40000112.2S95 L99 F100 W269S95-C97 PolarHBondContact O-N 3.27Å; C97-L99 PolarHBondContact O-N 3.22Å; C97-F100 PolarHBondContact O-N 2.95Å; C97-W269 HydrophobicContact CB-CE3 4.17Å; C97-W269 HydrophobicContact CB-CH2 3.01Å; C97-W269 HydrophobicContact CB-CZ2 3.64Å; C97-W269 HydrophobicContact CB-CZ3 3.31Å; C97-W269 WeakPolarHBondContact SG-CH2 3.28Å; C97-W269 WeakPolarHBondContact SG-CZ2 3.47Å; C97-W269 VanDerWaalsContact SG-CZ3 3.56Å
98L44.8Very low44.9Very low80 Ų80106 Ų10642%0.41953%0.528SS..THydrogen-bonded Turntrans-57.8-25.6163.6-74.4165000112.7
99L44.1Very low47.3Very low50 Ų50104.4 Ų104.426%0.26252%0.521SS..THydrogen-bonded Turntrans-82-23.4179.8-72.7158.4000113.7A96 C97 R102 R103A96-L99 HydrophobicContact CB-CB 4.21Å; A96-L99 HydrophobicContact CB-CD1 4.25Å; C97-L99 PolarHBondContact O-N 3.22Å; L99-R102 PolarHBondContact O-N 2.74Å; L99-R103 WeakPolarHBondContact O-CB 3.14Å; L99-R103 PolarHBondContact O-N 2.7Å
100F42.5Very low50.1Low75 Ų75103.4 Ų103.433%0.32950%0.499SS..Hα-helixtrans-73-40.6-173.3-86.7-61.5000112.8A96 C97 R102 Y131A96-F100 HydrophobicContact CB-CD2 4.21Å; A96-F100 HydrophobicContact CB-CE2 3.82Å; A96-F100 HydrophobicContact CB-CZ 4.28Å; A96-F100 WeakPolarHBondContact O-CD2 3.37Å; A96-F100 WeakPolarHBondContact O-CE2 3.42Å; C97-F100 PolarHBondContact O-N 2.95Å; F100-R102 PolarHBondContact O-N 2.77Å; F100-R102 VanDerWaalsContact O-N 3.15Å; F100-Y131 HydrophobicContact CB-CD1 3.77Å; F100-Y131 HydrophobicContact CB-CE1 3.91Å; F100-Y131 HydrophobicContact CB-CG 4.31Å; F100-Y131 HydrophobicContact CD2-CE1 4.37Å; F100-Y131 HydrophobicContact CG-CD1 4.46Å; F100-Y131 HydrophobicContact CG-CE1 4.19Å
101F49.9Very low52.9Low13 Ų1398.2 Ų98.26%0.05747%0.474CS..Hα-helixtrans-63.7-19.6175.6-69.4-63000113R107 Y131 V153 E154 R178F101-R107 WeakPolarHBondContact O-CD 3.36Å; F101-R107 PolarHBondContact O-NE 2.79Å; F101-R107 PolarHBondContact O-NH1 3.31Å; F101-Y131 WeakPolarHBondContact CD1-O 3.15Å; F101-Y131 HydrophobicContact CE1-CD1 4.3Å; F101-Y131 HydrophobicContact CZ-CD1 4.46Å; F101-V153 VanDerWaalsContact CZ-O 3.28Å; F101-V153 WeakPolarHBondContact CZ-O 3.36Å; F101-E154 HydrophobicContact CD1-CB 3.74Å; F101-E154 HydrophobicContact CE1-CB 3.76Å; F101-E154 VanDerWaalsContact CE1-N 3.27Å; F101-E154 HydrophobicContact CG-CB 4.2Å; F101-E154 HydrophobicContact CZ-CB 4.24Å; F101-R178 HydrophobicContact CD2-CB 4.35Å; F101-R178 HydrophobicContact CE2-CB 3.84Å; F101-R178 HydrophobicContact CZ-CB 4.36Å
102R44.3Very low56Low147 Ų14789 Ų8956%0.55543%0.431SS*.Hα-helixtrans-103.5-13.4-172.4-145172172.7-148.4-15.1114.9W85 L99 F100W85-R102 VanDerWaalsContact CE2-CZ 3.46Å; W85-R102 PolarHBondContact O-NH1 3.33Å; L99-R102 PolarHBondContact O-N 2.74Å; F100-R102 PolarHBondContact O-N 2.77Å; F100-R102 VanDerWaalsContact O-N 3.15Å
103R42.7Very low58.9Low117 Ų11782.5 Ų82.544%0.44240%0.397SS..Hα-helixtrans-119.4-1.8-166.1-73.4-171.8174.4179.10.8116.6N88 L99N88-R103 PolarHBondContact O-NH2 3.36Å; L99-R103 WeakPolarHBondContact O-CB 3.14Å; L99-R103 PolarHBondContact O-N 2.7Å
104R52.5Low61.4Low107 Ų10780 Ų8040%0.40440%0.395SS..  trans-84.4117.8174.5-85.2-159.4-177.2-160.14.2110.9D106 R107R104-D106 VanDerWaalsContact CB-OD1 3.23Å; R104-D106 WeakPolarHBondContact CB-OD1 3.14Å; R104-D106 IonicContact NH1-OD2 3.23Å; R104-D106 PolarHBondContact O-N 3.39Å; R104-R107 HydrophobicContact CB-CB 4.06Å; R104-R107 WeakPolarHBondContact O-CB 3.34Å; R104-R107 PolarHBondContact O-N 3.23Å
105K54.1Low63.9Low222 Ų22277.9 Ų77.997%0.96539%0.392SS*.THydrogen-bonded Turntrans-64.8-21.3175.5-74.6-174.6176.2-177.90112.3
106D64.6Low66.6Low102 Ų10275.6 Ų75.655%0.54538%0.376SS..THydrogen-bonded Turntrans-94.3-0.9-179.755.6-47.5000113.8R104 R108R104-D106 VanDerWaalsContact CB-OD1 3.23Å; R104-D106 WeakPolarHBondContact CB-OD1 3.14Å; R104-D106 IonicContact NH1-OD2 3.23Å; R104-D106 PolarHBondContact O-N 3.39Å; D106-R108 PolarHBondContact O-N 3.11Å
107R76.3Confident69Low52 Ų5279.2 Ų79.220%0.19639%0.386CS..  trans-62.8120.2-179.8-174.9-179.5-167.6-147.6-8.9110.7F101 R104 Y131 D132 E154F101-R107 WeakPolarHBondContact O-CD 3.36Å; F101-R107 PolarHBondContact O-NE 2.79Å; F101-R107 PolarHBondContact O-NH1 3.31Å; R104-R107 HydrophobicContact CB-CB 4.06Å; R104-R107 WeakPolarHBondContact O-CB 3.34Å; R104-R107 PolarHBondContact O-N 3.23Å; R107-Y131 WeakPolarHBondContact CG-O 3.45Å; R107-Y131 PolarHBondContact NE-O 3.31Å; R107-D132 PolarHBondContact NH2-O 2.72Å; R107-E154 IonicContact CZ-OE2 3.74Å; R107-E154 IonicContact NH1-OE2 2.64Å; R107-E154 PolarHBondContact NH1-OE2 3.16Å; R107-E154 IonicContact NH2-OE2 3.22Å; R107-E154 PolarHBondContact NH2-OE2 3.49Å
108R83.4Confident71.6Confident164 Ų16480.6 Ų80.662%0.61939%0.39SS*.  trans-90.4150.3175-65.6-171.7-179.1-161.81111.3D106 W110 D132 R133D106-R108 PolarHBondContact O-N 3.11Å; R108-W110 HydrophobicContact CB-CZ2 4.45Å; R108-D132 PolarHBondContact N-OD1 3Å; R108-R133 PolarHBondContact O-N 2.91Å
109V88.3Confident73.7Confident64 Ų6484 Ų8439%0.38840%0.403SS..EExtended strand (participates in β ladder)trans-113.9113.7174.2-1760000106.7R133 V135V109-R133 CarbonylContact C-O 3.59Å; V109-R133 WeakPolarHBondContact CA-O 3.46Å; V109-R133 HydrophobicContact CB-CB 4.46Å; V109-R133 HydrophobicContact CG1-CB 4.3Å; V109-R133 HydrophobicContact CG2-CB 4.13Å; V109-V135 HydrophobicContact CG1-CB 4.38Å; V109-V135 HydrophobicContact CG1-CG2 3.47Å; V109-V135 VanDerWaalsContact CG1-CG2 3.47Å
110W92.5Very high76Confident40 Ų4085 Ų8515%0.15241%0.412CS..EExtended strand (participates in β ladder)trans-98.7128.4-179.7-59.296.9000108.9R108 F118 V127 V128 D132 R133 V134 V135R108-W110 HydrophobicContact CB-CZ2 4.45Å; W110-F118 HydrophobicContact CD2-CE2 4.45Å; W110-F118 HydrophobicContact CE3-CD2 4.32Å; W110-F118 AromaticContact CE3-CE2 3.52Å; W110-F118 HydrophobicContact CE3-CE2 3.52Å; W110-F118 HydrophobicContact CE3-CZ 4.39Å; W110-F118 AromaticContact CZ3-CE2 3.76Å; W110-F118 HydrophobicContact CZ3-CE2 3.76Å; W110-F118 HydrophobicContact CZ3-CZ 4.25Å; W110-V127 HydrophobicContact CH2-CG2 4.25Å; W110-V127 HydrophobicContact CZ2-CG2 4.45Å; W110-V127 HydrophobicContact CZ3-CG2 4.33Å; W110-V128 HydrophobicContact CG-CG1 4.09Å; W110-D132 PolarHBondContact NE1-OD2 3.02Å; W110-R133 PolarHBondContact N-O 2.9Å; W110-V134 WeakPolarHBondContact O-CA 3.46Å; W110-V135 PolarHBondContact O-N 3.44Å
111H93.6Very high78.4Confident68 Ų6881.5 Ų81.532%0.31540%0.396SS..EExtended strand (participates in β ladder)trans-101.2126-179.4-70.9-87.3000110.6C116 E117 F118 H137H111-C116 HydrophobicContact CB-CB 4.17Å; H111-C116 WeakPolarHBondContact O-CB 3.36Å; H111-E117 PolarHBondContact O-N 3.39Å; H111-F118 PolarHBondContact O-N 3.25Å; H111-H137 AromaticContact CG-NE2 3.92Å; H111-H137 AromaticContact ND1-CE1 3.98Å; H111-H137 AromaticContact ND1-NE2 3.23Å; H111-H137 PolarHBondContact ND1-NE2 2.72Å
112V94.5Very high80.4Confident0 Ų085.7 Ų85.70%041%0.412CS..EExtended strand (participates in β ladder)trans-121.9133.3-176.5-167.50000109.4F118 A124 V134 V135 L136 H137 Y141V112-F118 CarbonylContact C-O 3.5Å; V112-F118 VanDerWaalsContact CA-O 3.24Å; V112-F118 WeakPolarHBondContact CA-O 3.49Å; V112-F118 HydrophobicContact CG1-CB 4.28Å; V112-F118 WeakPolarHBondContact CG1-O 3.44Å; V112-F118 HydrophobicContact CG2-CB 4.25Å; V112-A124 HydrophobicContact CG2-CB 3.43Å; V112-A124 VanDerWaalsContact CG2-CB 3.43Å; V112-V134 HydrophobicContact CG2-CG1 3.41Å; V112-V134 VanDerWaalsContact CG2-CG1 3.41Å; V112-V135 PolarHBondContact N-O 3.29Å; V112-L136 HydrophobicContact CB-CD2 3.75Å; V112-L136 HydrophobicContact CG1-CD2 3.91Å; V112-L136 HydrophobicContact CG2-CD2 4.43Å; V112-H137 PolarHBondContact O-CD2 3.46Å; V112-H137 PolarHBondContact O-N 2.85Å; V112-Y141 HydrophobicContact CG1-CD1 4.4Å; V112-Y141 HydrophobicContact CG1-CE1 3.86Å; V112-Y141 PolarHBondContact O-OH 2.79Å
113G91.5Very high82.7Confident0 Ų080 Ų800%040%0.399CS..SBendtrans147.4173.5-179.400000112.4G115 C116 F118 Y141G113-G115 PolarHBondContact O-N 3.3Å; G113-C116 VanDerWaalsContact O-CB 3.32Å; G113-C116 WeakPolarHBondContact O-CB 3.49Å; G113-C116 PolarHBondContact O-N 2.97Å; G113-F118 PolarHBondContact N-O 3.24Å; G113-Y141 VanDerWaalsContact CA-OH 3.27Å; G113-Y141 WeakPolarHBondContact CA-OH 3.41Å
114P86.1Confident85.1Confident109 Ų10974.4 Ų74.471%0.70838%0.378SS*.THydrogen-bonded Turntrans-55.6122.5178.5-23.833.7000111.4C116P114-C116 VanDerWaalsContact C-N 3.31Å; P114-C116 PolarHBondContact O-N 3.12Å
115G83.6Confident87Confident78 Ų7870.6 Ų70.680%0.80437%0.365SS*.THydrogen-bonded Turntrans74.512.5-178.800000115.8G113G113-G115 PolarHBondContact O-N 3.3Å
116C90.6Very high88.8Confident40 Ų4063.2 Ų63.227%0.2735%0.352SS..SBendtrans-95.4-176.6173.5-63.10000112.2H111 G113 P114 F118 H137H111-C116 HydrophobicContact CB-CB 4.17Å; H111-C116 WeakPolarHBondContact O-CB 3.36Å; G113-C116 VanDerWaalsContact O-CB 3.32Å; G113-C116 WeakPolarHBondContact O-CB 3.49Å; G113-C116 PolarHBondContact O-N 2.97Å; P114-C116 VanDerWaalsContact C-N 3.31Å; P114-C116 PolarHBondContact O-N 3.12Å; C116-F118 PolarHBondContact O-N 3.16Å; C116-H137 PolarHBondContact SG-CD2 2.79Å
117E90.5Very high90.1Very high118 Ų11862.1 Ų62.155%0.55135%0.349SS*.SBendtrans-58.8-33.5179.2-63.6178.7165.100112.8H111H111-E117 PolarHBondContact O-N 3.39Å
118F92.9Very high90.9Very high47 Ų4760.3 Ų60.321%0.20634%0.343CS..BIsolated β-bridgetrans-129.9135.6174.3-67.3-88.3000110.1W110 H111 V112 G113 C116 G123 A124 V127W110-F118 HydrophobicContact CD2-CE2 4.45Å; W110-F118 HydrophobicContact CE3-CD2 4.32Å; W110-F118 AromaticContact CE3-CE2 3.52Å; W110-F118 HydrophobicContact CE3-CE2 3.52Å; W110-F118 HydrophobicContact CE3-CZ 4.39Å; W110-F118 AromaticContact CZ3-CE2 3.76Å; W110-F118 HydrophobicContact CZ3-CE2 3.76Å; W110-F118 HydrophobicContact CZ3-CZ 4.25Å; H111-F118 PolarHBondContact O-N 3.25Å; V112-F118 CarbonylContact C-O 3.5Å; V112-F118 VanDerWaalsContact CA-O 3.24Å; V112-F118 WeakPolarHBondContact CA-O 3.49Å; V112-F118 HydrophobicContact CG1-CB 4.28Å; V112-F118 WeakPolarHBondContact CG1-O 3.44Å; V112-F118 HydrophobicContact CG2-CB 4.25Å; G113-F118 PolarHBondContact N-O 3.24Å; C116-F118 PolarHBondContact O-N 3.16Å; F118-G123 VanDerWaalsContact CD1-C 3.49Å; F118-A124 HydrophobicContact CB-CB 3.98Å; F118-A124 HydrophobicContact CD1-CB 4.38Å; F118-A124 HydrophobicContact CD2-CB 4.09Å; F118-A124 HydrophobicContact CG-CB 3.87Å; F118-V127 HydrophobicContact CE1-CG1 4.49Å; F118-V127 HydrophobicContact CE1-CG2 3.87Å; F118-V127 HydrophobicContact CE2-CG2 3.92Å; F118-V127 HydrophobicContact CZ-CB 4.45Å; F118-V127 HydrophobicContact CZ-CG1 4.41Å; F118-V127 HydrophobicContact CZ-CG2 3.34Å
119E89.4Confident91Very high151 Ų15153.5 Ų53.571%0.70633%0.325SS*.SBendtrans-84-27.4174.1-64.8-172.516200112.2
120T91.9Very high90.9Very high72 Ų7253.7 Ų53.744%0.44233%0.327SS..SBendtrans-118147.3-176.164.50000112.4R122 G123 A124T120-R122 VanDerWaalsContact C-N 3.35Å; T120-G123 PolarHBondContact O-N 3.37Å; T120-G123 PolarHBondContact OG1-N 2.88Å; T120-G123 VanDerWaalsContact OG1-N 3.16Å; T120-A124 PolarHBondContact O-N 3.48Å
121L93.1Very high90.4Very high0 Ų053.8 Ų53.80%033%0.328CS..Hα-helixtrans-64.3-41.5176.517762.7000110.8G123 A124 L125 V134 L136 E143 L155 L166 V168L121-G123 VanDerWaalsContact C-N 3.33Å; L121-G123 PolarHBondContact O-N 3.19Å; L121-A124 PolarHBondContact O-N 3.3Å; L121-L125 HydrophobicContact CD1-CD1 3.91Å; L121-L125 HydrophobicContact CD1-CG 4.08Å; L121-L125 HydrophobicContact CD2-CD1 4.4Å; L121-L125 HydrophobicContact CG-CD1 3.81Å; L121-L125 HydrophobicContact CG-CG 4.37Å; L121-L125 WeakPolarHBondContact O-CB 3.44Å; L121-L125 WeakPolarHBondContact O-CG 3.3Å; L121-L125 PolarHBondContact O-N 3.34Å; L121-V134 HydrophobicContact CD1-CG1 4.47Å; L121-L136 HydrophobicContact CD1-CD1 4.43Å; L121-L136 HydrophobicContact CD1-CD2 4.09Å; L121-E143 PolarHBondContact N-OE1 3.18Å; L121-L155 HydrophobicContact CD1-CD2 4.27Å; L121-L166 HydrophobicContact CD2-CD2 4.24Å; L121-V168 HydrophobicContact CD2-CG2 4.28Å
122R92.8Very high90.1Very high102 Ų10251.1 Ų51.139%0.38532%0.316SS..Hα-helixtrans-60.2-40.4175.7176.5-176.5-63.2-90.1-7.5112.6T120 L125 G126 E143 A145 E146T120-R122 VanDerWaalsContact C-N 3.35Å; R122-L125 PolarHBondContact O-N 3Å; R122-G126 PolarHBondContact O-N 2.74Å; R122-E143 VanDerWaalsContact CB-CD 3.46Å; R122-E143 WeakPolarHBondContact CB-OE1 3.34Å; R122-E143 VanDerWaalsContact CB-OE2 3.22Å; R122-E143 WeakPolarHBondContact CB-OE2 3.17Å; R122-E143 IonicContact CZ-OE2 3.85Å; R122-E143 PolarHBondContact N-OE1 2.83Å; R122-E143 IonicContact NE-OE2 3.51Å; R122-E143 PolarHBondContact NE-OE2 3.34Å; R122-E143 IonicContact NH2-OE2 2.96Å; R122-A145 VanDerWaalsContact NH2-C 3.34Å; R122-A145 PolarHBondContact NH2-O 2.85Å; R122-E146 PolarHBondContact NH2-O 3.29Å
123G91.7Very high89.7Confident27 Ų2755.3 Ų55.328%0.27833%0.332SS..Hα-helixtrans-60.2-48.7176.900000111.8F118 T120 L121 G126F118-G123 VanDerWaalsContact CD1-C 3.49Å; T120-G123 PolarHBondContact O-N 3.37Å; T120-G123 PolarHBondContact OG1-N 2.88Å; T120-G123 VanDerWaalsContact OG1-N 3.16Å; L121-G123 VanDerWaalsContact C-N 3.33Å; L121-G123 PolarHBondContact O-N 3.19Å; G123-G126 PolarHBondContact O-N 2.82Å
124A93.4Very high89.7Confident0 Ų055.3 Ų55.30%033%0.332CS..Hα-helixtrans-63.3-46.6177.400000112.1V112 F118 T120 L121 G126 V127 V128 V134V112-A124 HydrophobicContact CG2-CB 3.43Å; V112-A124 VanDerWaalsContact CG2-CB 3.43Å; F118-A124 HydrophobicContact CB-CB 3.98Å; F118-A124 HydrophobicContact CD1-CB 4.38Å; F118-A124 HydrophobicContact CD2-CB 4.09Å; F118-A124 HydrophobicContact CG-CB 3.87Å; T120-A124 PolarHBondContact O-N 3.48Å; L121-A124 PolarHBondContact O-N 3.3Å; A124-G126 PolarHBondContact O-N 2.85Å; A124-G126 VanDerWaalsContact O-N 3.14Å; A124-V127 VanDerWaalsContact O-CG2 3.26Å; A124-V127 WeakPolarHBondContact O-CG2 3.2Å; A124-V127 PolarHBondContact O-N 3.23Å; A124-V127 VanDerWaalsContact O-N 3.09Å; A124-V128 WeakPolarHBondContact O-CG1 3.45Å; A124-V128 PolarHBondContact O-N 3.33Å; A124-V128 VanDerWaalsContact O-N 3.15Å; A124-V134 HydrophobicContact CB-CG1 4.24Å
125L93.5Very high89.9Confident27 Ų2750.6 Ų50.614%0.14130%0.301CS..Hα-helixtrans-65.2-16.7179.1-72.7175.4000113.9L121 R122 V128 V147 L149 V153 L155L121-L125 HydrophobicContact CD1-CD1 3.91Å; L121-L125 HydrophobicContact CD1-CG 4.08Å; L121-L125 HydrophobicContact CD2-CD1 4.4Å; L121-L125 HydrophobicContact CG-CD1 3.81Å; L121-L125 HydrophobicContact CG-CG 4.37Å; L121-L125 WeakPolarHBondContact O-CB 3.44Å; L121-L125 WeakPolarHBondContact O-CG 3.3Å; L121-L125 PolarHBondContact O-N 3.34Å; R122-L125 PolarHBondContact O-N 3Å; L125-V128 HydrophobicContact CD2-CG2 4.13Å; L125-V128 WeakPolarHBondContact O-CG2 3.28Å; L125-V147 HydrophobicContact CD1-CG1 3.44Å; L125-V147 VanDerWaalsContact CD1-CG1 3.44Å; L125-L149 HydrophobicContact CD1-CD2 3.73Å; L125-L149 HydrophobicContact CD2-CD2 3.67Å; L125-L149 HydrophobicContact CG-CD2 4.35Å; L125-V153 HydrophobicContact CD2-CG2 4.27Å; L125-L155 HydrophobicContact CD2-CD2 4.14Å
126G91.4Very high90.3Very high67 Ų6746.9 Ų46.969%0.69126%0.263SS*.Hα-helixtrans-74.3-22.9173.500000114.4R122 G123 A124R122-G126 PolarHBondContact O-N 2.74Å; G123-G126 PolarHBondContact O-N 2.82Å; A124-G126 PolarHBondContact O-N 2.85Å; A124-G126 VanDerWaalsContact O-N 3.14Å
127V92.4Very high90.3Very high79 Ų7947.8 Ų47.848%0.47926%0.263SS..Hα-helixtrans-117-15.8-173.7-61.90000114.5W110 F118 A124 G129W110-V127 HydrophobicContact CH2-CG2 4.25Å; W110-V127 HydrophobicContact CZ2-CG2 4.45Å; W110-V127 HydrophobicContact CZ3-CG2 4.33Å; F118-V127 HydrophobicContact CE1-CG1 4.49Å; F118-V127 HydrophobicContact CE1-CG2 3.87Å; F118-V127 HydrophobicContact CE2-CG2 3.92Å; F118-V127 HydrophobicContact CZ-CB 4.45Å; F118-V127 HydrophobicContact CZ-CG1 4.41Å; F118-V127 HydrophobicContact CZ-CG2 3.34Å; A124-V127 VanDerWaalsContact O-CG2 3.26Å; A124-V127 WeakPolarHBondContact O-CG2 3.2Å; A124-V127 PolarHBondContact O-N 3.23Å; A124-V127 VanDerWaalsContact O-N 3.09Å; V127-G129 PolarHBondContact O-N 2.82Å
128V91.3Very high90.3Very high13 Ų1345.2 Ų45.28%0.07926%0.256CS..PPolyproline II helixtrans-56.6135.4-178-72.90000111.9W110 A124 L125 D132 V134 V151 V153W110-V128 HydrophobicContact CG-CG1 4.09Å; A124-V128 WeakPolarHBondContact O-CG1 3.45Å; A124-V128 PolarHBondContact O-N 3.33Å; A124-V128 VanDerWaalsContact O-N 3.15Å; L125-V128 HydrophobicContact CD2-CG2 4.13Å; L125-V128 WeakPolarHBondContact O-CG2 3.28Å; V128-D132 HydrophobicContact CB-CB 4.47Å; V128-V134 HydrophobicContact CG1-CG2 3.52Å; V128-V151 HydrophobicContact CG2-CG2 3.89Å; V128-V153 HydrophobicContact CB-CG1 4.25Å; V128-V153 HydrophobicContact CG2-CG1 3.86Å
129G87.3Confident90.3Very high22 Ų2244.1 Ų44.123%0.22726%0.259CS..PPolyproline II helixtrans-80.5163.9171.100000112.2V127 Y131 D132V127-G129 PolarHBondContact O-N 2.82Å; G129-Y131 PolarHBondContact O-N 3.48Å; G129-D132 WeakPolarHBondContact CA-OD2 3.2Å; G129-D132 PolarHBondContact N-OD2 3.25Å; G129-D132 WeakPolarHBondContact O-CB 3.35Å; G129-D132 PolarHBondContact O-N 2.95Å
130P85.4Confident90.5Very high67 Ų6742 Ų4244%0.43526%0.255SS..THydrogen-bonded Turntrans-56.5127.3172.4-23.533.5000112.1D132 V151P130-D132 VanDerWaalsContact C-N 3.33Å; P130-V151 HydrophobicContact CG-CB 4.32Å; P130-V151 HydrophobicContact CG-CG1 4.22Å
131Y81.9Confident90.5Very high43 Ų4339.1 Ų39.117%0.16924%0.237CC..THydrogen-bonded Turntrans71.613.2-179.4-48.4-80.4000115.9F100 F101 R107 G129 P152 T176F100-Y131 HydrophobicContact CB-CD1 3.77Å; F100-Y131 HydrophobicContact CB-CE1 3.91Å; F100-Y131 HydrophobicContact CB-CG 4.31Å; F100-Y131 HydrophobicContact CD2-CE1 4.37Å; F100-Y131 HydrophobicContact CG-CD1 4.46Å; F100-Y131 HydrophobicContact CG-CE1 4.19Å; F101-Y131 WeakPolarHBondContact CD1-O 3.15Å; F101-Y131 HydrophobicContact CE1-CD1 4.3Å; F101-Y131 HydrophobicContact CZ-CD1 4.46Å; R107-Y131 WeakPolarHBondContact CG-O 3.45Å; R107-Y131 PolarHBondContact NE-O 3.31Å; G129-Y131 PolarHBondContact O-N 3.48Å; Y131-P152 VanDerWaalsContact CA-O 3.29Å; Y131-P152 WeakPolarHBondContact CA-O 2.99Å; Y131-P152 HydrophobicContact CD1-CB 3.68Å; Y131-P152 HydrophobicContact CD1-CG 4.42Å; Y131-P152 HydrophobicContact CE1-CB 3.57Å; Y131-P152 HydrophobicContact CE1-CG 3.92Å; Y131-P152 HydrophobicContact CE2-CG 4.43Å; Y131-P152 HydrophobicContact CG-CB 4.29Å; Y131-P152 PolarHBondContact N-O 2.93Å; Y131-T176 HydrophobicContact CE1-CG2 4.28Å
132D86.8Confident90.5Very high12 Ų1244.8 Ų44.86%0.06426%0.263CS..  trans-65.7163.6174-79.5-12.5000112.7R107 R108 W110 V128 G129 P130 E154R107-D132 PolarHBondContact NH2-O 2.72Å; R108-D132 PolarHBondContact N-OD1 3Å; W110-D132 PolarHBondContact NE1-OD2 3.02Å; V128-D132 HydrophobicContact CB-CB 4.47Å; G129-D132 WeakPolarHBondContact CA-OD2 3.2Å; G129-D132 PolarHBondContact N-OD2 3.25Å; G129-D132 WeakPolarHBondContact O-CB 3.35Å; G129-D132 PolarHBondContact O-N 2.95Å; P130-D132 VanDerWaalsContact C-N 3.33Å; D132-E154 PolarHBondContact O-N 2.93Å; D132-E154 VanDerWaalsContact O-N 3.07Å
133R85.9Confident90.4Very high88 Ų8840.7 Ų40.733%0.33225%0.248SC..EExtended strand (participates in β ladder)trans-103.1132173-160.4174.1176.4179.6-2.8109.4R108 V109 W110 V135 E154 V156R108-R133 PolarHBondContact O-N 2.91Å; V109-R133 CarbonylContact C-O 3.59Å; V109-R133 WeakPolarHBondContact CA-O 3.46Å; V109-R133 HydrophobicContact CB-CB 4.46Å; V109-R133 HydrophobicContact CG1-CB 4.3Å; V109-R133 HydrophobicContact CG2-CB 4.13Å; W110-R133 PolarHBondContact N-O 2.9Å; R133-V135 HydrophobicContact CG-CG2 3.98Å; R133-E154 CarbonylContact C-O 3.56Å; R133-E154 WeakPolarHBondContact CA-O 3.44Å; R133-E154 HydrophobicContact CG-CB 4.37Å; R133-E154 IonicContact NE-OE2 2.93Å; R133-V156 HydrophobicContact CG-CG2 4.32Å
134V92.6Very high90.2Very high0 Ų047 Ų470%027%0.271CS..EExtended strand (participates in β ladder)trans-111.5123.1168.2-172.50000107.5W110 V112 L121 A124 V128 E154 L155 V156W110-V134 WeakPolarHBondContact O-CA 3.46Å; V112-V134 HydrophobicContact CG2-CG1 3.41Å; V112-V134 VanDerWaalsContact CG2-CG1 3.41Å; L121-V134 HydrophobicContact CD1-CG1 4.47Å; A124-V134 HydrophobicContact CB-CG1 4.24Å; V128-V134 HydrophobicContact CG1-CG2 3.52Å; V134-E154 PolarHBondContact N-O 3.27Å; V134-L155 HydrophobicContact CB-CD2 3.53Å; V134-L155 HydrophobicContact CG1-CD2 4.09Å; V134-L155 HydrophobicContact CG2-CD2 3.8Å; V134-V156 PolarHBondContact O-N 3.07Å
135V89.6Confident90Very high10 Ų1049.3 Ų49.36%0.06129%0.289CS..EExtended strand (participates in β ladder)trans-110.9112.4-175.2178.10000107.7V109 W110 V112 R133 V156 V158V109-V135 HydrophobicContact CG1-CB 4.38Å; V109-V135 HydrophobicContact CG1-CG2 3.47Å; V109-V135 VanDerWaalsContact CG1-CG2 3.47Å; W110-V135 PolarHBondContact O-N 3.44Å; V112-V135 PolarHBondContact N-O 3.29Å; R133-V135 HydrophobicContact CG-CG2 3.98Å; V135-V156 WeakPolarHBondContact CA-O 3.45Å; V135-V158 HydrophobicContact CG1-CG2 3.1Å
136L91.3Very high90Very high0 Ų051.2 Ų51.20%030%0.297CS..EExtended strand (participates in β ladder)trans-93.6119.7179.7-68.6160.1000108.7V112 L121 Y141 V156 G157 V158 V164 L166 L182V112-L136 HydrophobicContact CB-CD2 3.75Å; V112-L136 HydrophobicContact CG1-CD2 3.91Å; V112-L136 HydrophobicContact CG2-CD2 4.43Å; L121-L136 HydrophobicContact CD1-CD1 4.43Å; L121-L136 HydrophobicContact CD1-CD2 4.09Å; L136-Y141 HydrophobicContact CB-CE2 4.2Å; L136-Y141 HydrophobicContact CD2-CD1 3.99Å; L136-Y141 HydrophobicContact CD2-CD2 4.22Å; L136-Y141 HydrophobicContact CD2-CE1 3.72Å; L136-Y141 HydrophobicContact CD2-CE2 3.98Å; L136-Y141 HydrophobicContact CD2-CG 4.23Å; L136-V156 PolarHBondContact N-O 3.34Å; L136-G157 WeakPolarHBondContact O-CA 3.43Å; L136-V158 PolarHBondContact O-N 3.45Å; L136-V164 HydrophobicContact CB-CG1 3.67Å; L136-V164 HydrophobicContact CD1-CG1 4.27Å; L136-L166 HydrophobicContact CD1-CD1 4.41Å; L136-L166 HydrophobicContact CD1-CD2 4Å; L136-L182 HydrophobicContact CD1-CD2 3.65Å
137H92.2Very high90.1Very high58 Ų5848.2 Ų48.227%0.26927%0.266SS..PPolyproline II helixtrans-80160.9174.8-71.5-84.7000111.2H111 V112 C116 G139 Y141H111-H137 AromaticContact CG-NE2 3.92Å; H111-H137 AromaticContact ND1-CE1 3.98Å; H111-H137 AromaticContact ND1-NE2 3.23Å; H111-H137 PolarHBondContact ND1-NE2 2.72Å; V112-H137 PolarHBondContact O-CD2 3.46Å; V112-H137 PolarHBondContact O-N 2.85Å; C116-H137 PolarHBondContact SG-CD2 2.79Å; H137-G139 PolarHBondContact O-N 3.24Å; H137-Y141 PolarHBondContact N-OH 2.96Å; H137-Y141 WeakPolarHBondContact O-CE2 3.38Å; H137-Y141 PolarHBondContact O-OH 3.04Å
138P90.8Very high90.1Very high64 Ų6446 Ų4642%0.41626%0.255SS..SBendtrans-47127.8178.6-3338.3000113.2E163P138-E163 CarbonylContact C-O 3.38Å; P138-E163 VanDerWaalsContact CA-O 3.29Å; P138-E163 WeakPolarHBondContact CA-O 3.19Å; P138-E163 HydrophobicContact CB-CB 4.11Å; P138-E163 HydrophobicContact CG-CB 4.26Å
139G91.1Very high90.3Very high25 Ų2545.4 Ų45.426%0.25825%0.252SS..EExtended strand (participates in β ladder)trans157.9171.1-174.100000113.5H137 E163 A165H137-G139 PolarHBondContact O-N 3.24Å; G139-E163 PolarHBondContact N-O 3.39Å; G139-A165 PolarHBondContact O-N 2.87Å
140V93.3Very high90.6Very high105 Ų10552 Ų5264%0.63627%0.274SS*.EExtended strand (participates in β ladder)trans-104.5122.3175.6-176.50000108.3A165 L167V140-A165 WeakPolarHBondContact CA-O 3.11Å; V140-A165 HydrophobicContact CG2-CB 4.37Å; V140-L167 HydrophobicContact CG1-CD1 3.31Å
141Y93.6Very high90.7Very high13 Ų1350.6 Ų50.65%0.05126%0.264CS..EExtended strand (participates in β ladder)trans-110.5110.6179.9-58.9-93.6000109V112 G113 L136 H137 V164 A165 L166 L167V112-Y141 HydrophobicContact CG1-CD1 4.4Å; V112-Y141 HydrophobicContact CG1-CE1 3.86Å; V112-Y141 PolarHBondContact O-OH 2.79Å; G113-Y141 VanDerWaalsContact CA-OH 3.27Å; G113-Y141 WeakPolarHBondContact CA-OH 3.41Å; L136-Y141 HydrophobicContact CB-CE2 4.2Å; L136-Y141 HydrophobicContact CD2-CD1 3.99Å; L136-Y141 HydrophobicContact CD2-CD2 4.22Å; L136-Y141 HydrophobicContact CD2-CE1 3.72Å; L136-Y141 HydrophobicContact CD2-CE2 3.98Å; L136-Y141 HydrophobicContact CD2-CG 4.23Å; H137-Y141 PolarHBondContact N-OH 2.96Å; H137-Y141 WeakPolarHBondContact O-CE2 3.38Å; H137-Y141 PolarHBondContact O-OH 3.04Å; Y141-V164 HydrophobicContact CD2-CG1 4.29Å; Y141-V164 HydrophobicContact CE2-CG1 3.98Å; Y141-A165 PolarHBondContact N-O 2.81Å; Y141-L166 HydrophobicContact CD2-CD2 3.9Å; Y141-L166 HydrophobicContact CG-CD2 4.03Å; Y141-L167 PolarHBondContact O-N 2.83Å
142E92.9Very high91Very high119 Ų11949 Ų4956%0.55626%0.259SS*.EExtended strand (participates in β ladder)trans-110.3129.6-179.8-172.5178.3178.900110.5L167E142-L167 HydrophobicContact CB-CB 4.34Å; E142-L167 HydrophobicContact CG-CB 4.17Å
143E91Very high91.1Very high15 Ų1548.5 Ų48.57%0.0726%0.257CS..  trans-122.2124.8177.5-68.2-75.1172.100109.7L121 R122 A145 V147 L167 V168L121-E143 PolarHBondContact N-OE1 3.18Å; R122-E143 VanDerWaalsContact CB-CD 3.46Å; R122-E143 WeakPolarHBondContact CB-OE1 3.34Å; R122-E143 VanDerWaalsContact CB-OE2 3.22Å; R122-E143 WeakPolarHBondContact CB-OE2 3.17Å; R122-E143 IonicContact CZ-OE2 3.85Å; R122-E143 PolarHBondContact N-OE1 2.83Å; R122-E143 IonicContact NE-OE2 3.51Å; R122-E143 PolarHBondContact NE-OE2 3.34Å; R122-E143 IonicContact NH2-OE2 2.96Å; E143-A145 PolarHBondContact O-N 3.17Å; E143-V147 HydrophobicContact CB-CG2 4.02Å; E143-V147 HydrophobicContact CG-CG2 3.96Å; E143-L167 PolarHBondContact N-O 3.4Å; E143-V168 HydrophobicContact CB-CB 4.42Å; E143-V168 HydrophobicContact CB-CG1 4.05Å; E143-V168 HydrophobicContact CB-CG2 3.88Å; E143-V168 HydrophobicContact CG-CG1 4.14Å; E143-V168 HydrophobicContact CG-CG2 3.66Å
144Q87.1Confident91.1Very high161 Ų16145.3 Ų45.375%0.75225%0.246SC*.SBendtrans-72.9-9.1-174.3-64.9-178-600114.3F189Q144-F189 WeakPolarHBondContact O-CE1 3.09Å
145A89.1Confident91Very high47 Ų4745.3 Ų45.339%0.38825%0.246SC..SBendtrans-144164.9-178.600000110.5R122 E143R122-A145 VanDerWaalsContact NH2-C 3.34Å; R122-A145 PolarHBondContact NH2-O 2.85Å; E143-A145 PolarHBondContact O-N 3.17Å
146E92.6Very high90.9Very high67 Ų6745.4 Ų45.431%0.31325%0.246SC..  trans-55.3140.8173.7-178.7155.5-119.300112R122 C169 E171 K195R122-E146 PolarHBondContact NH2-O 3.29Å; E146-C169 WeakPolarHBondContact CA-O 2.94Å; E146-C169 PolarHBondContact OE1-SG 2.76Å; E146-E171 HydrophobicContact CG-CB 4.18Å; E146-K195 WeakPolarHBondContact OE1-CE 3.24Å; E146-K195 IonicContact OE1-NZ 3.93Å; E146-K195 PolarHBondContact OE1-NZ 3.45Å; E146-K195 IonicContact OE2-NZ 3.4Å; E146-K195 PolarHBondContact OE2-NZ 3.12Å
147V93.9Very high90.4Very high5 Ų545.6 Ų45.63%0.0325%0.248CC..EExtended strand (participates in β ladder)trans-114.8118.1-178.9177.50000109L125 E143 V168 C169 I170 E171L125-V147 HydrophobicContact CD1-CG1 3.44Å; L125-V147 VanDerWaalsContact CD1-CG1 3.44Å; E143-V147 HydrophobicContact CB-CG2 4.02Å; E143-V147 HydrophobicContact CG-CG2 3.96Å; V147-V168 HydrophobicContact CB-CG1 3.95Å; V147-V168 HydrophobicContact CG2-CG1 3.6Å; V147-C169 PolarHBondContact N-O 2.81Å; V147-I170 WeakPolarHBondContact O-CA 3.09Å; V147-E171 PolarHBondContact O-N 3.2Å
148A93.4Very high89.7Confident31 Ų3145.4 Ų45.426%0.25625%0.251SS..EExtended strand (participates in β ladder)trans-91122.817900000111.8K150 E171 Q173A148-K150 HydrophobicContact CB-CG 4.41Å; A148-K150 PolarHBondContact O-N 2.89Å; A148-E171 CarbonylContact C-O 3.57Å; A148-E171 WeakPolarHBondContact CA-O 3.32Å; A148-Q173 HydrophobicContact CB-CG 4.3Å
149L94.2Very high88.8Confident2 Ų244.3 Ų44.31%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-80.292.2168.8-62.5178.2000109.6L125 V153 L155 I170 E171 Q173 C174 A177 Y194L125-L149 HydrophobicContact CD1-CD2 3.73Å; L125-L149 HydrophobicContact CD2-CD2 3.67Å; L125-L149 HydrophobicContact CG-CD2 4.35Å; L149-V153 HydrophobicContact CD1-CG2 4.49Å; L149-V153 HydrophobicContact CD2-CG2 3.86Å; L149-L155 HydrophobicContact CD2-CD1 4.5Å; L149-I170 HydrophobicContact CD1-CG2 3.54Å; L149-I170 HydrophobicContact CD2-CG2 4.34Å; L149-I170 HydrophobicContact CG-CG2 3.58Å; L149-E171 PolarHBondContact N-O 2.92Å; L149-Q173 CarbonylContact O-C 3.59Å; L149-Q173 VanDerWaalsContact O-C 3.22Å; L149-Q173 WeakPolarHBondContact O-CA 3.39Å; L149-Q173 PolarHBondContact O-N 2.99Å; L149-C174 WeakPolarHBondContact O-CB 3.49Å; L149-C174 PolarHBondContact O-N 2.85Å; L149-A177 HydrophobicContact CD1-CB 3.94Å; L149-Y194 HydrophobicContact CD1-CE2 4.22Å
150K93.1Very high87.6Confident160 Ų16052.2 Ų52.270%0.69627%0.273SS*.  trans-78.5-26.7-176.8-64.1-178.4-178.5178.40114.1A148A148-K150 HydrophobicContact CB-CG 4.41Å; A148-K150 PolarHBondContact O-N 2.89Å
151V89.1Confident86.2Confident37 Ų3750.2 Ų50.222%0.22426%0.259CS..SBendtrans-124155.1179.6-60.30000110.3V128 P130 V153 C174V128-V151 HydrophobicContact CG2-CG2 3.89Å; P130-V151 HydrophobicContact CG-CB 4.32Å; P130-V151 HydrophobicContact CG-CG1 4.22Å; V151-V153 HydrophobicContact CG2-CG1 3.84Å; V151-V153 PolarHBondContact O-N 3.09Å; V151-C174 VanDerWaalsContact C-CB 3.48Å; V151-C174 PolarHBondContact O-SG 3.09Å
152P88.6Confident85Confident10 Ų1052 Ų527%0.06528%0.28CS..  trans-59.8129.1173.9-24.134.5000111.2Y131 C174 T176Y131-P152 VanDerWaalsContact CA-O 3.29Å; Y131-P152 WeakPolarHBondContact CA-O 2.99Å; Y131-P152 HydrophobicContact CD1-CB 3.68Å; Y131-P152 HydrophobicContact CD1-CG 4.42Å; Y131-P152 HydrophobicContact CE1-CB 3.57Å; Y131-P152 HydrophobicContact CE1-CG 3.92Å; Y131-P152 HydrophobicContact CE2-CG 4.43Å; Y131-P152 HydrophobicContact CG-CB 4.29Å; Y131-P152 PolarHBondContact N-O 2.93Å; P152-C174 HydrophobicContact CG-CB 4.47Å; P152-T176 WeakPolarHBondContact CA-O 3.32Å; P152-T176 HydrophobicContact CB-CG2 3.94Å; P152-T176 WeakPolarHBondContact CB-O 3.27Å; P152-T176 HydrophobicContact CG-CG2 4.49Å
153V88.3Confident84.3Confident1 Ų150 Ų501%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-144154.8-178-66.50000112.3F101 L125 V128 L149 V151 L155 R178F101-V153 VanDerWaalsContact CZ-O 3.28Å; F101-V153 WeakPolarHBondContact CZ-O 3.36Å; L125-V153 HydrophobicContact CD2-CG2 4.27Å; V128-V153 HydrophobicContact CB-CG1 4.25Å; V128-V153 HydrophobicContact CG2-CG1 3.86Å; L149-V153 HydrophobicContact CD1-CG2 4.49Å; L149-V153 HydrophobicContact CD2-CG2 3.86Å; V151-V153 HydrophobicContact CG2-CG1 3.84Å; V151-V153 PolarHBondContact O-N 3.09Å; V153-L155 HydrophobicContact CG2-CD2 4.33Å; V153-L155 HydrophobicContact CG2-CG 4.34Å; V153-R178 PolarHBondContact O-N 3.46Å
154E86.4Confident84.1Confident22 Ų2249.4 Ų49.410%0.10327%0.268CS..EExtended strand (participates in β ladder)trans-106.6114.7167.2-170.4179.9-154.100109F101 R107 D132 R133 V134 V156 R178F101-E154 HydrophobicContact CD1-CB 3.74Å; F101-E154 HydrophobicContact CE1-CB 3.76Å; F101-E154 VanDerWaalsContact CE1-N 3.27Å; F101-E154 HydrophobicContact CG-CB 4.2Å; F101-E154 HydrophobicContact CZ-CB 4.24Å; R107-E154 IonicContact CZ-OE2 3.74Å; R107-E154 IonicContact NH1-OE2 2.64Å; R107-E154 PolarHBondContact NH1-OE2 3.16Å; R107-E154 IonicContact NH2-OE2 3.22Å; R107-E154 PolarHBondContact NH2-OE2 3.49Å; D132-E154 PolarHBondContact O-N 2.93Å; D132-E154 VanDerWaalsContact O-N 3.07Å; R133-E154 CarbonylContact C-O 3.56Å; R133-E154 WeakPolarHBondContact CA-O 3.44Å; R133-E154 HydrophobicContact CG-CB 4.37Å; R133-E154 IonicContact NE-OE2 2.93Å; V134-E154 PolarHBondContact N-O 3.27Å; E154-V156 HydrophobicContact CG-CG2 3.64Å; E154-R178 CarbonylContact C-O 3.55Å; E154-R178 VanDerWaalsContact CA-O 3.28Å; E154-R178 WeakPolarHBondContact CA-O 3.4Å; E154-R178 HydrophobicContact CB-CB 4.44Å; E154-R178 HydrophobicContact CG-CB 4.11Å; E154-R178 HydrophobicContact CG-CG 4.02Å; E154-R178 VanDerWaalsContact OE1-CD 3.28Å; E154-R178 WeakPolarHBondContact OE1-CD 3.29Å; E154-R178 IonicContact OE1-NE 2.7Å; E154-R178 PolarHBondContact OE1-NE 3.19Å
155L90.3Very high84.3Confident0 Ų042.2 Ų42.20%024%0.237CC..EExtended strand (participates in β ladder)trans-97.3121.5172.4-59.2-177.2000109L121 L125 V134 L149 V153 I170 R178 L179 C180 L182L121-L155 HydrophobicContact CD1-CD2 4.27Å; L125-L155 HydrophobicContact CD2-CD2 4.14Å; V134-L155 HydrophobicContact CB-CD2 3.53Å; V134-L155 HydrophobicContact CG1-CD2 4.09Å; V134-L155 HydrophobicContact CG2-CD2 3.8Å; L149-L155 HydrophobicContact CD2-CD1 4.5Å; V153-L155 HydrophobicContact CG2-CD2 4.33Å; V153-L155 HydrophobicContact CG2-CG 4.34Å; L155-I170 HydrophobicContact CD1-CD1 4.35Å; L155-R178 PolarHBondContact N-O 3.44Å; L155-L179 HydrophobicContact CB-CG 4.28Å; L155-L179 HydrophobicContact CD1-CD2 3.94Å; L155-L179 HydrophobicContact CD1-CG 4.29Å; L155-L179 WeakPolarHBondContact O-CA 3.3Å; L155-C180 PolarHBondContact O-N 2.86Å; L155-L182 HydrophobicContact CB-CD1 4.13Å
156V85.8Confident84.6Confident12 Ų1240 Ų407%0.07322%0.218CC..EExtended strand (participates in β ladder)trans-129.7121.8-178.2-169.40000111R133 V134 V135 L136 E154 C180R133-V156 HydrophobicContact CG-CG2 4.32Å; V134-V156 PolarHBondContact O-N 3.07Å; V135-V156 WeakPolarHBondContact CA-O 3.45Å; L136-V156 PolarHBondContact N-O 3.34Å; E154-V156 HydrophobicContact CG-CG2 3.64Å; V156-C180 WeakPolarHBondContact CA-O 3.33Å; V156-C180 HydrophobicContact CG1-CB 4.36Å; V156-C180 HydrophobicContact CG2-CB 4.4Å
157G81.1Confident84.7Confident3 Ų338.4 Ų38.43%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-78.5133.8167.800000111.5L136 C180 N181L136-G157 WeakPolarHBondContact O-CA 3.43Å; G157-C180 PolarHBondContact N-O 2.81Å; G157-N181 VanDerWaalsContact CA-O 3.3Å; G157-N181 WeakPolarHBondContact CA-O 3.44Å; G157-N181 PolarHBondContact O-ND2 3.26Å
158V77.9Confident84.7Confident55 Ų5538.1 Ų38.133%0.33321%0.21SC..  trans-93.1142176-177.90000109.6V135 L136 V164V135-V158 HydrophobicContact CG1-CG2 3.1Å; L136-V158 PolarHBondContact O-N 3.45Å; V158-V164 WeakPolarHBondContact O-CG2 3.43Å
159G71.9Confident84.8Confident41 Ų4136.9 Ų36.942%0.42320%0.199SC..SBendtrans102.8-162.3176.900000112.9E163 N181G159-E163 WeakPolarHBondContact CA-OE2 3.4Å; G159-N181 PolarHBondContact O-ND2 3.31Å
160R65.9Low84.8Confident191 Ų19136.8 Ų36.872%0.72120%0.199SC*.SBendtrans-73.4148.3178.6-58.4177.4-179.9-179.92.3109.9G162 E163R160-G162 PolarHBondContact O-N 3.16Å; R160-E163 HydrophobicContact CB-CG 4.13Å; R160-E163 WeakPolarHBondContact CB-OE1 3.43Å; R160-E163 WeakPolarHBondContact CG-OE1 3.37Å; R160-E163 VanDerWaalsContact N-CD 3.3Å; R160-E163 PolarHBondContact N-OE2 3.33Å; R160-E163 WeakPolarHBondContact O-CB 3.47Å; R160-E163 PolarHBondContact O-N 3.19Å
161L64Low85Confident63 Ų6331.6 Ų31.633%0.3318%0.177SC..THydrogen-bonded Turntrans-56.4124171.9-175.865.3000109N205 N207L161-N205 VanDerWaalsContact CD1-O 3.27Å; L161-N205 WeakPolarHBondContact CD1-O 3.4Å; L161-N207 WeakPolarHBondContact CD2-OD1 3.39Å
162G67.5Low85.2Confident49 Ų4930 Ų3051%0.50517%0.167SC..THydrogen-bonded Turntrans113.4-26.4-169.900000114.6R160R160-G162 PolarHBondContact O-N 3.16Å
163E78.6Confident85.5Confident77 Ų7733.5 Ų33.536%0.3618%0.183SC..SBendtrans-80.5-19.4-172.5-69.5177.1179.900113.8P138 G139 G159 R160P138-E163 CarbonylContact C-O 3.38Å; P138-E163 VanDerWaalsContact CA-O 3.29Å; P138-E163 WeakPolarHBondContact CA-O 3.19Å; P138-E163 HydrophobicContact CB-CB 4.11Å; P138-E163 HydrophobicContact CG-CB 4.26Å; G139-E163 PolarHBondContact N-O 3.39Å; G159-E163 WeakPolarHBondContact CA-OE2 3.4Å; R160-E163 HydrophobicContact CB-CG 4.13Å; R160-E163 WeakPolarHBondContact CB-OE1 3.43Å; R160-E163 WeakPolarHBondContact CG-OE1 3.37Å; R160-E163 VanDerWaalsContact N-CD 3.3Å; R160-E163 PolarHBondContact N-OE2 3.33Å; R160-E163 WeakPolarHBondContact O-CB 3.47Å; R160-E163 PolarHBondContact O-N 3.19Å
164V87.4Confident85.5Confident3 Ų333.5 Ų33.52%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-118108.3178.8179.70000109.2L136 Y141 V158 L182 V183L136-V164 HydrophobicContact CB-CG1 3.67Å; L136-V164 HydrophobicContact CD1-CG1 4.27Å; Y141-V164 HydrophobicContact CD2-CG1 4.29Å; Y141-V164 HydrophobicContact CE2-CG1 3.98Å; V158-V164 WeakPolarHBondContact O-CG2 3.43Å; V164-L182 HydrophobicContact CB-CD2 4.32Å; V164-L182 HydrophobicContact CG1-CD2 3.57Å; V164-V183 PolarHBondContact O-N 3.36Å
165A92.2Very high85.4Confident10 Ų1035 Ų358%0.08319%0.194CC..EExtended strand (participates in β ladder)trans-113.8132-176.900000111.4G139 V140 Y141 V183 M185G139-A165 PolarHBondContact O-N 2.87Å; V140-A165 WeakPolarHBondContact CA-O 3.11Å; V140-A165 HydrophobicContact CG2-CB 4.37Å; Y141-A165 PolarHBondContact N-O 2.81Å; A165-V183 CarbonylContact C-O 3.59Å; A165-V183 WeakPolarHBondContact CA-O 3.21Å; A165-V183 HydrophobicContact CB-CB 4.41Å; A165-M185 HydrophobicContact CB-CE 3.71Å
166L95Very high85.3Confident0 Ų035.4 Ų35.40%020%0.197CC..EExtended strand (participates in β ladder)trans-114.2113.9-179.1-61.2-174.6000109.5L121 L136 Y141 V168 L182 V183 F184 M185L121-L166 HydrophobicContact CD2-CD2 4.24Å; L136-L166 HydrophobicContact CD1-CD1 4.41Å; L136-L166 HydrophobicContact CD1-CD2 4Å; Y141-L166 HydrophobicContact CD2-CD2 3.9Å; Y141-L166 HydrophobicContact CG-CD2 4.03Å; L166-V168 HydrophobicContact CB-CG2 4.34Å; L166-L182 HydrophobicContact CD1-CB 4.37Å; L166-L182 HydrophobicContact CD1-CD1 3.89Å; L166-L182 HydrophobicContact CD1-CD2 4.14Å; L166-L182 HydrophobicContact CD1-CG 4.35Å; L166-L182 HydrophobicContact CG-CD2 4.45Å; L166-V183 PolarHBondContact N-O 3.04Å; L166-F184 HydrophobicContact CB-CD1 4.25Å; L166-F184 HydrophobicContact CB-CE1 4.47Å; L166-F184 HydrophobicContact CD1-CD1 4.34Å; L166-F184 HydrophobicContact CD1-CE1 3.75Å; L166-F184 HydrophobicContact CD1-CZ 4.17Å; L166-M185 PolarHBondContact O-N 3.06Å
167L95.1Very high85.4Confident34 Ų3434.9 Ų34.918%0.17819%0.194CC..EExtended strand (participates in β ladder)trans-99.272166.9-66.976.9000107.9V140 Y141 E142 E143 M185V140-L167 HydrophobicContact CG1-CD1 3.31Å; Y141-L167 PolarHBondContact O-N 2.83Å; E142-L167 HydrophobicContact CB-CB 4.34Å; E142-L167 HydrophobicContact CG-CB 4.17Å; E143-L167 PolarHBondContact N-O 3.4Å; L167-M185 WeakPolarHBondContact CA-O 3.19Å; L167-M185 HydrophobicContact CD1-CE 3.31Å; L167-M185 HydrophobicContact CG-CB 4.18Å; L167-M185 HydrophobicContact CG-CE 3.98Å
168V92.4Very high85.7Confident0 Ų035.7 Ų35.70%020%0.196CC..  trans-141.5140.6-169.9-174.60000110.1L121 E143 V147 L166 I170L121-V168 HydrophobicContact CD2-CG2 4.28Å; E143-V168 HydrophobicContact CB-CB 4.42Å; E143-V168 HydrophobicContact CB-CG1 4.05Å; E143-V168 HydrophobicContact CB-CG2 3.88Å; E143-V168 HydrophobicContact CG-CG1 4.14Å; E143-V168 HydrophobicContact CG-CG2 3.66Å; V147-V168 HydrophobicContact CB-CG1 3.95Å; V147-V168 HydrophobicContact CG2-CG1 3.6Å; L166-V168 HydrophobicContact CB-CG2 4.34Å; V168-I170 HydrophobicContact CB-CG1 4.36Å; V168-I170 HydrophobicContact CG1-CG1 3.77Å
169C95Very high86.2Confident4 Ų433.1 Ų33.13%0.02718%0.18CC..  trans-95.5112164.9-176.40000108.9E146 V147 P187 F189 V192E146-C169 WeakPolarHBondContact CA-O 2.94Å; E146-C169 PolarHBondContact OE1-SG 2.76Å; V147-C169 PolarHBondContact N-O 2.81Å; C169-P187 HydrophobicContact CB-CG 4.22Å; C169-F189 HydrophobicContact CB-CE2 3.83Å; C169-F189 HydrophobicContact CB-CZ 3.93Å; C169-V192 PolarHBondContact SG-O 3.05Å
170I95.8Very high86.8Confident0 Ų031.7 Ų31.70%016%0.164CC..EExtended strand (participates in β ladder)trans-102.6122.3-178.7-58.7-178.3000110.2V147 L149 L155 V168 L179 F184 V193 Y194 K195V147-I170 WeakPolarHBondContact O-CA 3.09Å; L149-I170 HydrophobicContact CD1-CG2 3.54Å; L149-I170 HydrophobicContact CD2-CG2 4.34Å; L149-I170 HydrophobicContact CG-CG2 3.58Å; L155-I170 HydrophobicContact CD1-CD1 4.35Å; V168-I170 HydrophobicContact CB-CG1 4.36Å; V168-I170 HydrophobicContact CG1-CG1 3.77Å; I170-L179 HydrophobicContact CD1-CD2 4.3Å; I170-F184 HydrophobicContact CD1-CE1 4.09Å; I170-V193 PolarHBondContact N-O 3.01Å; I170-Y194 HydrophobicContact CB-CD2 3.83Å; I170-Y194 HydrophobicContact CB-CE2 4.2Å; I170-Y194 HydrophobicContact CD1-CD2 4.44Å; I170-Y194 HydrophobicContact CG2-CD2 3.89Å; I170-Y194 HydrophobicContact CG2-CE2 3.71Å; I170-Y194 WeakPolarHBondContact O-CA 3.4Å; I170-K195 PolarHBondContact O-N 3.33Å
171E95.9Very high87.4Confident52 Ų5223.8 Ų23.824%0.24314%0.136CC..EExtended strand (participates in β ladder)trans-103121.3169-172.7175.4-134.900110.7E146 V147 A148 L149 Q173 K195E146-E171 HydrophobicContact CG-CB 4.18Å; V147-E171 PolarHBondContact O-N 3.2Å; A148-E171 CarbonylContact C-O 3.57Å; A148-E171 WeakPolarHBondContact CA-O 3.32Å; L149-E171 PolarHBondContact N-O 2.92Å; E171-Q173 HydrophobicContact CG-CG 4.18Å; E171-Q173 PolarHBondContact O-N 2.85Å; E171-Q173 PolarHBondContact OE2-NE2 2.88Å; E171-K195 HydrophobicContact CB-CG 4.14Å; E171-K195 HydrophobicContact CG-CD 4.44Å; E171-K195 VanDerWaalsContact CG-CE 3.48Å; E171-K195 HydrophobicContact CG-CG 4.04Å; E171-K195 WeakPolarHBondContact OE1-CE 3.36Å; E171-K195 IonicContact OE1-NZ 2.8Å
172Q95.1Very high88.5Confident2 Ų220.8 Ų20.81%0.00912%0.12CC..EExtended strand (participates in β ladder)trans-79.1115.7174.2-170.9-172.8-33.100110.9C174 Y194 K195 T196 W198Q172-C174 PolarHBondContact NE2-O 2.93Å; Q172-Y194 HydrophobicContact CB-CE1 4.44Å; Q172-Y194 PolarHBondContact OE1-OH 2.98Å; Q172-K195 PolarHBondContact N-O 2.74Å; Q172-T196 PolarHBondContact OE1-OG1 2.93Å; Q172-W198 PolarHBondContact NE2-O 3.28Å
173Q93.8Very high89.6Confident84 Ų8418.7 Ų18.739%0.39310%0.097SC..  trans-117.726.3174.2-60.4-176.7-1.300111.4A148 L149 E171 W198A148-Q173 HydrophobicContact CB-CG 4.3Å; L149-Q173 CarbonylContact O-C 3.59Å; L149-Q173 VanDerWaalsContact O-C 3.22Å; L149-Q173 WeakPolarHBondContact O-CA 3.39Å; L149-Q173 PolarHBondContact O-N 2.99Å; E171-Q173 HydrophobicContact CG-CG 4.18Å; E171-Q173 PolarHBondContact O-N 2.85Å; E171-Q173 PolarHBondContact OE2-NE2 2.88Å; Q173-W198 WeakPolarHBondContact O-CZ2 3.34Å
174C88.3Confident90.3Very high1 Ų115 Ų151%0.0078%0.08CC..SBendtrans-133.3161.8-179.468.70000111.6L149 V151 P152 Q172 T176 W198L149-C174 WeakPolarHBondContact O-CB 3.49Å; L149-C174 PolarHBondContact O-N 2.85Å; V151-C174 VanDerWaalsContact C-CB 3.48Å; V151-C174 PolarHBondContact O-SG 3.09Å; P152-C174 HydrophobicContact CG-CB 4.47Å; Q172-C174 PolarHBondContact NE2-O 2.93Å; C174-T176 PolarHBondContact O-N 2.95Å; C174-T176 PolarHBondContact SG-O 2.98Å; C174-W198 VanDerWaalsContact C-CH2 3.42Å
175P85.3Confident90.5Very high54 Ų5417.2 Ų17.235%0.3519%0.091SC..SBendtrans-63.6-24.1-175.7-23.631.9000115.2W198 G199 H200 W269P175-W198 HydrophobicContact CB-CZ3 4.02Å; P175-W198 HydrophobicContact CG-CH2 3.91Å; P175-W198 HydrophobicContact CG-CZ3 3.77Å; P175-G199 VanDerWaalsContact O-CA 3.29Å; P175-G199 WeakPolarHBondContact O-CA 3.42Å; P175-H200 PolarHBondContact O-N 3.49Å; P175-W269 PolarHBondContact O-NE1 3.02Å; P175-W269 VanDerWaalsContact O-NE1 3.15Å
176T87.8Confident90.5Very high8 Ų818.9 Ų18.95%0.04910%0.101CC..EExtended strand (participates in β ladder)trans-160.4147.7178.8-167.50000113.6Y131 P152 C174 H200Y131-T176 HydrophobicContact CE1-CG2 4.28Å; P152-T176 WeakPolarHBondContact CA-O 3.32Å; P152-T176 HydrophobicContact CB-CG2 3.94Å; P152-T176 WeakPolarHBondContact CB-O 3.27Å; P152-T176 HydrophobicContact CG-CG2 4.49Å; C174-T176 PolarHBondContact O-N 2.95Å; C174-T176 PolarHBondContact SG-O 2.98Å; T176-H200 CarbonylContact C-O 3.58Å; T176-H200 WeakPolarHBondContact CA-O 3.28Å; T176-H200 WeakPolarHBondContact CB-O 3.24Å; T176-H200 PolarHBondContact OG1-O 3Å
177A88.4Confident90.3Very high1 Ų119.2 Ų19.21%0.00810%0.103CC..EExtended strand (participates in β ladder)trans-139.7149.6170.400000110.6L149 L179 H200 V201 Q202L149-A177 HydrophobicContact CD1-CB 3.94Å; A177-L179 HydrophobicContact CB-CD1 4.02Å; A177-H200 PolarHBondContact N-O 2.93Å; A177-H200 VanDerWaalsContact N-O 3.09Å; A177-V201 WeakPolarHBondContact O-CA 3.02Å; A177-Q202 PolarHBondContact O-N 2.8Å
178R87Confident89.9Confident21 Ų2126.9 Ų26.98%0.07913%0.13CC..EExtended strand (participates in β ladder)trans-123.4125.9173.5178178.9170.677.817.4109F101 V153 E154 L155 Q202 D204F101-R178 HydrophobicContact CD2-CB 4.35Å; F101-R178 HydrophobicContact CE2-CB 3.84Å; F101-R178 HydrophobicContact CZ-CB 4.36Å; V153-R178 PolarHBondContact O-N 3.46Å; E154-R178 CarbonylContact C-O 3.55Å; E154-R178 VanDerWaalsContact CA-O 3.28Å; E154-R178 WeakPolarHBondContact CA-O 3.4Å; E154-R178 HydrophobicContact CB-CB 4.44Å; E154-R178 HydrophobicContact CG-CB 4.11Å; E154-R178 HydrophobicContact CG-CG 4.02Å; E154-R178 VanDerWaalsContact OE1-CD 3.28Å; E154-R178 WeakPolarHBondContact OE1-CD 3.29Å; E154-R178 IonicContact OE1-NE 2.7Å; E154-R178 PolarHBondContact OE1-NE 3.19Å; L155-R178 PolarHBondContact N-O 3.44Å; R178-Q202 CarbonylContact C-O 3.6Å; R178-Q202 WeakPolarHBondContact CA-O 3.21Å; R178-D204 IonicContact CZ-OD2 3.21Å; R178-D204 IonicContact NH1-OD2 2.74Å; R178-D204 PolarHBondContact NH1-OD2 3.27Å; R178-D204 IonicContact NH2-OD2 3.04Å; R178-D204 PolarHBondContact NH2-OD2 2.79Å
179L88.6Confident89.7Confident0 Ų030.6 Ų30.60%015%0.146CC..EExtended strand (participates in β ladder)trans-124.2131.3179.6-60.989.4000108.2L155 I170 A177 L182 F184 Y194 V201 Q202 L203 D204L155-L179 HydrophobicContact CB-CG 4.28Å; L155-L179 HydrophobicContact CD1-CD2 3.94Å; L155-L179 HydrophobicContact CD1-CG 4.29Å; L155-L179 WeakPolarHBondContact O-CA 3.3Å; I170-L179 HydrophobicContact CD1-CD2 4.3Å; A177-L179 HydrophobicContact CB-CD1 4.02Å; L179-L182 HydrophobicContact CB-CD1 4.07Å; L179-L182 HydrophobicContact CD2-CD1 4.34Å; L179-F184 HydrophobicContact CD2-CE1 4.26Å; L179-F184 HydrophobicContact CD2-CZ 3.59Å; L179-Y194 HydrophobicContact CD1-CE2 3.66Å; L179-Y194 HydrophobicContact CD2-CD2 4.02Å; L179-Y194 HydrophobicContact CD2-CE2 3.74Å; L179-Y194 HydrophobicContact CG-CE2 4.42Å; L179-V201 HydrophobicContact CD1-CG2 3.57Å; L179-Q202 PolarHBondContact N-O 2.96Å; L179-L203 HydrophobicContact CB-CD2 3.78Å; L179-L203 HydrophobicContact CD1-CD2 3.97Å; L179-L203 HydrophobicContact CG-CD2 4.3Å; L179-L203 WeakPolarHBondContact O-CA 3.2Å; L179-D204 PolarHBondContact O-N 2.95Å
180C84.6Confident89.5Confident12 Ų1231.8 Ų31.88%0.08116%0.155CC..EExtended strand (participates in β ladder)trans-143.2133-170.4-175.10000111.5L155 V156 G157 D204L155-C180 PolarHBondContact O-N 2.86Å; V156-C180 WeakPolarHBondContact CA-O 3.33Å; V156-C180 HydrophobicContact CG1-CB 4.36Å; V156-C180 HydrophobicContact CG2-CB 4.4Å; G157-C180 PolarHBondContact N-O 2.81Å; C180-D204 VanDerWaalsContact CA-O 3.28Å; C180-D204 WeakPolarHBondContact CA-O 3.5Å
181N78.2Confident89.3Confident24 Ų2435.3 Ų35.313%0.12818%0.176CC..SBendtrans58.154.1173.8-163.547.6000113.3G157 G159 D204 N205G157-N181 VanDerWaalsContact CA-O 3.3Å; G157-N181 WeakPolarHBondContact CA-O 3.44Å; G157-N181 PolarHBondContact O-ND2 3.26Å; G159-N181 PolarHBondContact O-ND2 3.31Å; N181-D204 PolarHBondContact N-O 3.04Å; N181-D204 VanDerWaalsContact N-O 3.14Å; N181-N205 WeakPolarHBondContact CA-O 3.5Å; N181-N205 PolarHBondContact N-O 2.9Å; N181-N205 PolarHBondContact OD1-ND2 2.9Å
182L86.3Confident89.2Confident0 Ų033.8 Ų33.80%017%0.17CC..  trans-130.3145.2-176.8-62.4168.1000110.1L136 L155 V164 L166 L179 F184 C206 N207L136-L182 HydrophobicContact CD1-CD2 3.65Å; L155-L182 HydrophobicContact CB-CD1 4.13Å; V164-L182 HydrophobicContact CB-CD2 4.32Å; V164-L182 HydrophobicContact CG1-CD2 3.57Å; L166-L182 HydrophobicContact CD1-CB 4.37Å; L166-L182 HydrophobicContact CD1-CD1 3.89Å; L166-L182 HydrophobicContact CD1-CD2 4.14Å; L166-L182 HydrophobicContact CD1-CG 4.35Å; L166-L182 HydrophobicContact CG-CD2 4.45Å; L179-L182 HydrophobicContact CB-CD1 4.07Å; L179-L182 HydrophobicContact CD2-CD1 4.34Å; L182-F184 HydrophobicContact CB-CE2 4Å; L182-F184 HydrophobicContact CB-CZ 4.25Å; L182-F184 HydrophobicContact CD1-CZ 4.1Å; L182-C206 CarbonylContact O-C 3.55Å; L182-C206 VanDerWaalsContact O-CA 3.23Å; L182-C206 WeakPolarHBondContact O-CA 3.34Å; L182-N207 PolarHBondContact O-N 3.47Å
183V89.9Confident89.2Confident5 Ų533.7 Ų33.73%0.0317%0.17CC..EExtended strand (participates in β ladder)trans-101.7121.9167.4-173.30000108.7V164 A165 L166 M185 N207 E209V164-V183 PolarHBondContact O-N 3.36Å; A165-V183 CarbonylContact C-O 3.59Å; A165-V183 WeakPolarHBondContact CA-O 3.21Å; A165-V183 HydrophobicContact CB-CB 4.41Å; L166-V183 PolarHBondContact N-O 3.04Å; V183-M185 HydrophobicContact CG1-CG 4.21Å; V183-N207 CarbonylContact C-O 3.55Å; V183-N207 WeakPolarHBondContact CA-O 3.26Å; V183-N207 HydrophobicContact CB-CB 4.47Å; V183-N207 HydrophobicContact CG1-CB 4.19Å; V183-N207 HydrophobicContact CG2-CB 4.17Å; V183-E209 HydrophobicContact CG1-CG 4.22Å
184F94.4Very high89.4Confident0 Ų029.7 Ų29.70%015%0.151CC..EExtended strand (participates in β ladder)trans-98127.5173-66.2-84.9000110L166 I170 L179 L182 V193 C206 N207 F208 E209L166-F184 HydrophobicContact CB-CD1 4.25Å; L166-F184 HydrophobicContact CB-CE1 4.47Å; L166-F184 HydrophobicContact CD1-CD1 4.34Å; L166-F184 HydrophobicContact CD1-CE1 3.75Å; L166-F184 HydrophobicContact CD1-CZ 4.17Å; I170-F184 HydrophobicContact CD1-CE1 4.09Å; L179-F184 HydrophobicContact CD2-CE1 4.26Å; L179-F184 HydrophobicContact CD2-CZ 3.59Å; L182-F184 HydrophobicContact CB-CE2 4Å; L182-F184 HydrophobicContact CB-CZ 4.25Å; L182-F184 HydrophobicContact CD1-CZ 4.1Å; F184-V193 HydrophobicContact CB-CB 4.09Å; F184-V193 HydrophobicContact CB-CG1 4.32Å; F184-V193 HydrophobicContact CB-CG2 3.75Å; F184-V193 HydrophobicContact CD1-CB 4.15Å; F184-V193 HydrophobicContact CD1-CG2 4.18Å; F184-V193 HydrophobicContact CG-CB 4.45Å; F184-V193 HydrophobicContact CG-CG2 4.1Å; F184-C206 HydrophobicContact CD2-CB 4.42Å; F184-C206 HydrophobicContact CE2-CB 4.13Å; F184-N207 PolarHBondContact N-O 2.85Å; F184-F208 HydrophobicContact CB-CD1 3.81Å; F184-F208 HydrophobicContact CB-CE1 4.03Å; F184-F208 HydrophobicContact CD2-CD1 4.1Å; F184-F208 AromaticContact CD2-CE1 3.62Å; F184-F208 HydrophobicContact CD2-CE1 3.62Å; F184-F208 HydrophobicContact CD2-CE2 4.34Å; F184-F208 AromaticContact CD2-CZ 3.74Å; F184-F208 HydrophobicContact CD2-CZ 3.74Å; F184-F208 HydrophobicContact CE2-CE1 4.32Å; F184-F208 HydrophobicContact CE2-CZ 4.12Å; F184-F208 HydrophobicContact CG-CD1 4.2Å; F184-F208 AromaticContact CG-CE1 3.9Å; F184-F208 HydrophobicContact CG-CE1 3.9Å; F184-F208 HydrophobicContact CG-CZ 4.47Å; F184-E209 PolarHBondContact O-N 3.09Å
185M92.3Very high89.8Confident50 Ų5032.1 Ų32.125%0.24616%0.162CC..EExtended strand (participates in β ladder)trans-125.3147.3172.8-63.4-175.8-53.400108.6A165 L166 L167 V183 V193 E209A165-M185 HydrophobicContact CB-CE 3.71Å; L166-M185 PolarHBondContact O-N 3.06Å; L167-M185 WeakPolarHBondContact CA-O 3.19Å; L167-M185 HydrophobicContact CD1-CE 3.31Å; L167-M185 HydrophobicContact CG-CB 4.18Å; L167-M185 HydrophobicContact CG-CE 3.98Å; V183-M185 HydrophobicContact CG1-CG 4.21Å; M185-V193 WeakPolarHBondContact O-CG1 3.42Å; M185-E209 HydrophobicContact CG-CB 4.23Å
186P91.4Very high90.2Very high45 Ų4529.8 Ų29.829%0.29215%0.146SC..  trans-65.2130.7-178.328.8-37.3000110.6E209 G210P186-E209 WeakPolarHBondContact CD-O 3.32Å; P186-G210 WeakPolarHBondContact CG-O 3.45Å
187P90.6Very high90.5Very high6 Ų632.1 Ų32.14%0.03916%0.163CC..  trans-67.4162.3164.130-36.7000111C169 F189 S190C169-P187 HydrophobicContact CB-CG 4.22Å; P187-F189 HydrophobicContact CB-CD1 3.99Å; P187-F189 HydrophobicContact CB-CE1 3.63Å; P187-F189 HydrophobicContact CB-CZ 4.08Å; P187-F189 HydrophobicContact CG-CD1 4.38Å; P187-F189 HydrophobicContact CG-CE1 3.94Å; P187-F189 HydrophobicContact CG-CE2 4.26Å; P187-F189 HydrophobicContact CG-CZ 3.87Å; P187-F189 PolarHBondContact O-N 2.91Å; P187-S190 WeakPolarHBondContact CD-O 3.47Å; P187-S190 PolarHBondContact O-N 3.19Å
188W87.4Confident90.5Very high195 Ų19537.1 Ų37.174%0.73918%0.182SC*.THydrogen-bonded Turntrans-57.5-20.2-176.666.1-86.6000115.4
189F86.6Confident90.5Very high78 Ų7836.4 Ų36.434%0.34218%0.181SC..THydrogen-bonded Turntrans-105.8-7.7-176.164.4-94.4000114.7Q144 C169 P187Q144-F189 WeakPolarHBondContact O-CE1 3.09Å; C169-F189 HydrophobicContact CB-CE2 3.83Å; C169-F189 HydrophobicContact CB-CZ 3.93Å; P187-F189 HydrophobicContact CB-CD1 3.99Å; P187-F189 HydrophobicContact CB-CE1 3.63Å; P187-F189 HydrophobicContact CB-CZ 4.08Å; P187-F189 HydrophobicContact CG-CD1 4.38Å; P187-F189 HydrophobicContact CG-CE1 3.94Å; P187-F189 HydrophobicContact CG-CE2 4.26Å; P187-F189 HydrophobicContact CG-CZ 3.87Å; P187-F189 PolarHBondContact O-N 2.91Å
190S90.8Very high90.7Very high30 Ų3036.7 Ų36.721%0.2118%0.182CC..  trans-157.3135.9-176.6177.90000111.8P187 V192P187-S190 WeakPolarHBondContact CD-O 3.47Å; P187-S190 PolarHBondContact O-N 3.19Å; S190-V192 PolarHBondContact OG-N 3.14Å; S190-V192 PolarHBondContact OG-O 2.88Å
191T91.8Very high91.1Very high73 Ų7336.1 Ų36.145%0.44818%0.178SC..SBendtrans-81.7-20168.855.10000112.5V193 A211 Q212T191-V193 PolarHBondContact O-N 3.22Å; T191-A211 CarbonylContact O-C 3.59Å; T191-Q212 PolarHBondContact O-N 2.92Å
192V95Very high91.5Very high21 Ų2135.6 Ų35.613%0.12718%0.175CC..EExtended strand (participates in β ladder)trans-79.6114.7176.1-175.70000108.7C169 S190 K195 Q212 Q214C169-V192 PolarHBondContact SG-O 3.05Å; S190-V192 PolarHBondContact OG-N 3.14Å; S190-V192 PolarHBondContact OG-O 2.88Å; V192-K195 HydrophobicContact CG1-CB 4.04Å; V192-Q212 WeakPolarHBondContact CA-O 2.99Å; V192-Q212 HydrophobicContact CG2-CB 4.14Å; V192-Q214 HydrophobicContact CG1-CB 4Å
193V95.5Very high91.5Very high0 Ų035.6 Ų35.60%018%0.175CC..EExtended strand (participates in β ladder)trans-97.8-24.5-177.2-660000112.6I170 F184 M185 T191 F208 A211 Q212I170-V193 PolarHBondContact N-O 3.01Å; F184-V193 HydrophobicContact CB-CB 4.09Å; F184-V193 HydrophobicContact CB-CG1 4.32Å; F184-V193 HydrophobicContact CB-CG2 3.75Å; F184-V193 HydrophobicContact CD1-CB 4.15Å; F184-V193 HydrophobicContact CD1-CG2 4.18Å; F184-V193 HydrophobicContact CG-CB 4.45Å; F184-V193 HydrophobicContact CG-CG2 4.1Å; M185-V193 WeakPolarHBondContact O-CG1 3.42Å; T191-V193 PolarHBondContact O-N 3.22Å; V193-F208 HydrophobicContact CG2-CD1 3.76Å; V193-F208 HydrophobicContact CG2-CE1 3.73Å; V193-A211 HydrophobicContact CB-CB 4.26Å; V193-A211 HydrophobicContact CG1-CB 3.51Å; V193-A211 HydrophobicContact CG2-CB 3.73Å; V193-Q212 WeakPolarHBondContact CG2-O 3.33Å; V193-Q212 PolarHBondContact N-O 3.36Å
194Y96.8Very high91.1Very high0 Ų035.4 Ų35.40%017%0.174CC..EExtended strand (participates in β ladder)trans-144.8123.1178.2-164.3-80.4000110.1L149 I170 Q172 L179 T196 V201 L213 Q214L149-Y194 HydrophobicContact CD1-CE2 4.22Å; I170-Y194 HydrophobicContact CB-CD2 3.83Å; I170-Y194 HydrophobicContact CB-CE2 4.2Å; I170-Y194 HydrophobicContact CD1-CD2 4.44Å; I170-Y194 HydrophobicContact CG2-CD2 3.89Å; I170-Y194 HydrophobicContact CG2-CE2 3.71Å; I170-Y194 WeakPolarHBondContact O-CA 3.4Å; Q172-Y194 HydrophobicContact CB-CE1 4.44Å; Q172-Y194 PolarHBondContact OE1-OH 2.98Å; L179-Y194 HydrophobicContact CD1-CE2 3.66Å; L179-Y194 HydrophobicContact CD2-CD2 4.02Å; L179-Y194 HydrophobicContact CD2-CE2 3.74Å; L179-Y194 HydrophobicContact CG-CE2 4.42Å; Y194-T196 HydrophobicContact CE1-CG2 4.47Å; Y194-V201 HydrophobicContact CE1-CB 3.81Å; Y194-V201 HydrophobicContact CE1-CG1 3.9Å; Y194-V201 HydrophobicContact CE1-CG2 3.67Å; Y194-V201 HydrophobicContact CE2-CG2 4.29Å; Y194-V201 WeakPolarHBondContact OH-CG2 3.26Å; Y194-L213 HydrophobicContact CD1-CD1 3.85Å; Y194-L213 HydrophobicContact CG-CD1 4.16Å; Y194-Q214 PolarHBondContact O-N 3.32Å
195K96.3Very high90.3Very high51 Ų5136.7 Ų36.722%0.22218%0.181CC..EExtended strand (participates in β ladder)trans-130139.3176.674.2-172.5-163.1-162.10112.2E146 I170 E171 Q172 V192 Q214E146-K195 WeakPolarHBondContact OE1-CE 3.24Å; E146-K195 IonicContact OE1-NZ 3.93Å; E146-K195 PolarHBondContact OE1-NZ 3.45Å; E146-K195 IonicContact OE2-NZ 3.4Å; E146-K195 PolarHBondContact OE2-NZ 3.12Å; I170-K195 PolarHBondContact O-N 3.33Å; E171-K195 HydrophobicContact CB-CG 4.14Å; E171-K195 HydrophobicContact CG-CD 4.44Å; E171-K195 VanDerWaalsContact CG-CE 3.48Å; E171-K195 HydrophobicContact CG-CG 4.04Å; E171-K195 WeakPolarHBondContact OE1-CE 3.36Å; E171-K195 IonicContact OE1-NZ 2.8Å; Q172-K195 PolarHBondContact N-O 2.74Å; V192-K195 HydrophobicContact CG1-CB 4.04Å; K195-Q214 VanDerWaalsContact CA-O 3.28Å; K195-Q214 WeakPolarHBondContact CA-O 3.32Å; K195-Q214 HydrophobicContact CB-CB 4.31Å
196T95.1Very high89.8Confident5 Ų534.3 Ų34.33%0.03117%0.169CC..EExtended strand (participates in β ladder)trans-143.5139172.5-1750000110.9Q172 Y194 W198 V201 Q214 I215 R216Q172-T196 PolarHBondContact OE1-OG1 2.93Å; Y194-T196 HydrophobicContact CE1-CG2 4.47Å; T196-W198 PolarHBondContact OG1-O 2.95Å; T196-V201 HydrophobicContact CG2-CG1 4.35Å; T196-Q214 PolarHBondContact N-O 3.07Å; T196-Q214 VanDerWaalsContact N-O 3.09Å; T196-I215 HydrophobicContact CG2-CB 4.47Å; T196-I215 HydrophobicContact CG2-CD1 3.51Å; T196-I215 HydrophobicContact CG2-CG2 4.02Å; T196-R216 PolarHBondContact O-N 3.31Å
197S93Very high89.6Confident57 Ų5733.3 Ų33.340%0.39916%0.161SC..SBendtrans-111.8-10.517455.50000113.1R216 P218 G219S197-R216 CarbonylContact C-O 3.57Å; S197-R216 WeakPolarHBondContact CA-O 3.22Å; S197-P218 VanDerWaalsContact O-CD 3.26Å; S197-P218 WeakPolarHBondContact O-CD 3.39Å; S197-G219 PolarHBondContact O-N 3.33Å; S197-G219 VanDerWaalsContact O-N 3.14Å
198W89.2Confident89.6Confident107 Ų10733 Ų3341%0.40516%0.159SC..SBendtrans-155.6157.4-179.471.4-82.4000111.5Q172 Q173 C174 P175 T196Q172-W198 PolarHBondContact NE2-O 3.28Å; Q173-W198 WeakPolarHBondContact O-CZ2 3.34Å; C174-W198 VanDerWaalsContact C-CH2 3.42Å; P175-W198 HydrophobicContact CB-CZ3 4.02Å; P175-W198 HydrophobicContact CG-CH2 3.91Å; P175-W198 HydrophobicContact CG-CZ3 3.77Å; T196-W198 PolarHBondContact OG1-O 2.95Å
199G87.7Confident89.8Confident5 Ų526.1 Ų26.15%0.05214%0.135CC..SBendtrans77.3-159-177.300000113.5P175 G219 T220 N268P175-G199 VanDerWaalsContact O-CA 3.29Å; P175-G199 WeakPolarHBondContact O-CA 3.42Å; G199-G219 WeakPolarHBondContact O-CA 3.37Å; G199-T220 PolarHBondContact O-N 3.33Å; G199-T220 PolarHBondContact O-OG1 3.07Å; G199-N268 PolarHBondContact O-ND2 3.23Å
200H90.9Very high89.9Confident6 Ų623.5 Ų23.53%0.02813%0.13CC..EExtended strand (participates in β ladder)trans-136.5123.8-170.8179.769.5000113.6P175 T176 A177 T220 W269 A270P175-H200 PolarHBondContact O-N 3.49Å; T176-H200 CarbonylContact C-O 3.58Å; T176-H200 WeakPolarHBondContact CA-O 3.28Å; T176-H200 WeakPolarHBondContact CB-O 3.24Å; T176-H200 PolarHBondContact OG1-O 3Å; A177-H200 PolarHBondContact N-O 2.93Å; A177-H200 VanDerWaalsContact N-O 3.09Å; H200-T220 WeakPolarHBondContact CA-O 3.45Å; H200-T220 PolarHBondContact ND1-OG1 3.29Å; H200-W269 HydrophobicContact CB-CH2 4.17Å; H200-W269 HydrophobicContact CB-CZ2 3.54Å; H200-W269 AromaticContact CD2-CH2 3.8Å; H200-W269 AromaticContact CD2-CZ2 3.96Å; H200-A270 HydrophobicContact CB-CB 3.58Å; H200-A270 VanDerWaalsContact CG-CB 3.44Å
201V93.2Very high90Very high0 Ų022 Ų220%012%0.12CC..EExtended strand (participates in β ladder)trans-102.4135.9171.161.60000111A177 L179 Y194 T196 L203 I215 T220 C221 Q222A177-V201 WeakPolarHBondContact O-CA 3.02Å; L179-V201 HydrophobicContact CD1-CG2 3.57Å; Y194-V201 HydrophobicContact CE1-CB 3.81Å; Y194-V201 HydrophobicContact CE1-CG1 3.9Å; Y194-V201 HydrophobicContact CE1-CG2 3.67Å; Y194-V201 HydrophobicContact CE2-CG2 4.29Å; Y194-V201 WeakPolarHBondContact OH-CG2 3.26Å; T196-V201 HydrophobicContact CG2-CG1 4.35Å; V201-L203 HydrophobicContact CG2-CD2 3.79Å; V201-L203 HydrophobicContact CG2-CG 4.11Å; V201-I215 HydrophobicContact CG1-CD1 3.9Å; V201-T220 PolarHBondContact N-O 2.84Å; V201-T220 VanDerWaalsContact N-O 3.09Å; V201-C221 HydrophobicContact CG1-CB 3.94Å; V201-C221 WeakPolarHBondContact O-CA 3.45Å; V201-Q222 PolarHBondContact O-N 3.14Å
202Q88.1Confident90.2Very high14 Ų1421.4 Ų21.47%0.06511%0.112CC..EExtended strand (participates in β ladder)trans-111.3125.9165.9-175.6175.92.800110.5A177 R178 L179 D204 Q222 R224A177-Q202 PolarHBondContact O-N 2.8Å; R178-Q202 CarbonylContact C-O 3.6Å; R178-Q202 WeakPolarHBondContact CA-O 3.21Å; L179-Q202 PolarHBondContact N-O 2.96Å; Q202-D204 VanDerWaalsContact NE2-CG 3.35Å; Q202-D204 PolarHBondContact NE2-OD1 3.22Å; Q202-D204 PolarHBondContact NE2-OD2 3.49Å; Q202-Q222 CarbonylContact C-O 3.47Å; Q202-Q222 WeakPolarHBondContact CA-O 3.4Å; Q202-Q222 HydrophobicContact CG-CB 4.49Å; Q202-Q222 HydrophobicContact CG-CG 4.32Å; Q202-R224 VanDerWaalsContact NE2-NH1 3.1Å
203L86.3Confident90.2Very high0 Ų020.5 Ų20.50%011%0.106CC..EExtended strand (participates in β ladder)trans-114.4119.5174.9-54.3172.6000107.9L179 V201 F208 L213 Q222 A223 R224L179-L203 HydrophobicContact CB-CD2 3.78Å; L179-L203 HydrophobicContact CD1-CD2 3.97Å; L179-L203 HydrophobicContact CG-CD2 4.3Å; L179-L203 WeakPolarHBondContact O-CA 3.2Å; V201-L203 HydrophobicContact CG2-CD2 3.79Å; V201-L203 HydrophobicContact CG2-CG 4.11Å; L203-F208 HydrophobicContact CD1-CE2 4.22Å; L203-F208 HydrophobicContact CD1-CZ 3.84Å; L203-L213 HydrophobicContact CD1-CD1 4.07Å; L203-L213 HydrophobicContact CD1-CD2 3.66Å; L203-Q222 PolarHBondContact N-O 2.99Å; L203-A223 HydrophobicContact CB-CB 4.27Å; L203-A223 HydrophobicContact CD1-CB 4.39Å; L203-A223 CarbonylContact O-C 3.53Å; L203-A223 WeakPolarHBondContact O-CA 3.41Å; L203-R224 PolarHBondContact O-N 2.77Å
204D80.2Confident90.3Very high1 Ų122.4 Ų22.41%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-123.7125.3174.6-60.2-49.6000109.6R178 L179 C180 N181 Q202 C206 R224R178-D204 IonicContact CZ-OD2 3.21Å; R178-D204 IonicContact NH1-OD2 2.74Å; R178-D204 PolarHBondContact NH1-OD2 3.27Å; R178-D204 IonicContact NH2-OD2 3.04Å; R178-D204 PolarHBondContact NH2-OD2 2.79Å; L179-D204 PolarHBondContact O-N 2.95Å; C180-D204 VanDerWaalsContact CA-O 3.28Å; C180-D204 WeakPolarHBondContact CA-O 3.5Å; N181-D204 PolarHBondContact N-O 3.04Å; N181-D204 VanDerWaalsContact N-O 3.14Å; Q202-D204 VanDerWaalsContact NE2-CG 3.35Å; Q202-D204 PolarHBondContact NE2-OD1 3.22Å; Q202-D204 PolarHBondContact NE2-OD2 3.49Å; D204-C206 PolarHBondContact O-N 3.3Å; D204-R224 WeakPolarHBondContact CA-O 3.32Å; D204-R224 IonicContact OD1-NH1 3.69Å
205N77.8Confident90.3Very high27 Ų2722.5 Ų22.514%0.14412%0.115CC..SBendtrans55.449.5176.7-166.257000112.7L161 N181 R224L161-N205 VanDerWaalsContact CD1-O 3.27Å; L161-N205 WeakPolarHBondContact CD1-O 3.4Å; N181-N205 WeakPolarHBondContact CA-O 3.5Å; N181-N205 PolarHBondContact N-O 2.9Å; N181-N205 PolarHBondContact OD1-ND2 2.9Å; N205-R224 PolarHBondContact N-O 2.92Å
206C82.9Confident90.4Very high0 Ų026.2 Ų26.20%013%0.128CC..  trans-109.6140.9177.3-65.70000111.2L182 F184 D204 F208 C226 S227L182-C206 CarbonylContact O-C 3.55Å; L182-C206 VanDerWaalsContact O-CA 3.23Å; L182-C206 WeakPolarHBondContact O-CA 3.34Å; F184-C206 HydrophobicContact CD2-CB 4.42Å; F184-C206 HydrophobicContact CE2-CB 4.13Å; D204-C206 PolarHBondContact O-N 3.3Å; C206-F208 HydrophobicContact CB-CE2 4.14Å; C206-C226 CarbonylContact O-C 3.54Å; C206-C226 WeakPolarHBondContact O-CA 3.32Å; C206-C226 VanDerWaalsContact O-CB 3.28Å; C206-C226 WeakPolarHBondContact O-CB 3.46Å; C206-S227 PolarHBondContact O-N 2.85Å
207N85.7Confident90.2Very high23 Ų2327.1 Ų27.112%0.12314%0.138CC..EExtended strand (participates in β ladder)trans-103.3137.9174.5-68.5-3.1000110L161 L182 V183 F184 S227L161-N207 WeakPolarHBondContact CD2-OD1 3.39Å; L182-N207 PolarHBondContact O-N 3.47Å; V183-N207 CarbonylContact C-O 3.55Å; V183-N207 WeakPolarHBondContact CA-O 3.26Å; V183-N207 HydrophobicContact CB-CB 4.47Å; V183-N207 HydrophobicContact CG1-CB 4.19Å; V183-N207 HydrophobicContact CG2-CB 4.17Å; F184-N207 PolarHBondContact N-O 2.85Å; N207-S227 CarbonylContact C-O 3.57Å; N207-S227 WeakPolarHBondContact CA-O 3.26Å; N207-S227 PolarHBondContact OD1-OG 2.83Å
208F92.4Very high90.1Very high0 Ų026.1 Ų26.10%013%0.131CC..EExtended strand (participates in β ladder)trans-114.8123.7171.6-65.2-95.7000107.3F184 V193 L203 C206 A211 L213 S227 F228 S229 S232F184-F208 HydrophobicContact CB-CD1 3.81Å; F184-F208 HydrophobicContact CB-CE1 4.03Å; F184-F208 HydrophobicContact CD2-CD1 4.1Å; F184-F208 AromaticContact CD2-CE1 3.62Å; F184-F208 HydrophobicContact CD2-CE1 3.62Å; F184-F208 HydrophobicContact CD2-CE2 4.34Å; F184-F208 AromaticContact CD2-CZ 3.74Å; F184-F208 HydrophobicContact CD2-CZ 3.74Å; F184-F208 HydrophobicContact CE2-CE1 4.32Å; F184-F208 HydrophobicContact CE2-CZ 4.12Å; F184-F208 HydrophobicContact CG-CD1 4.2Å; F184-F208 AromaticContact CG-CE1 3.9Å; F184-F208 HydrophobicContact CG-CE1 3.9Å; F184-F208 HydrophobicContact CG-CZ 4.47Å; V193-F208 HydrophobicContact CG2-CD1 3.76Å; V193-F208 HydrophobicContact CG2-CE1 3.73Å; L203-F208 HydrophobicContact CD1-CE2 4.22Å; L203-F208 HydrophobicContact CD1-CZ 3.84Å; C206-F208 HydrophobicContact CB-CE2 4.14Å; F208-A211 HydrophobicContact CB-CB 4.3Å; F208-A211 HydrophobicContact CD1-CB 4.22Å; F208-L213 HydrophobicContact CE1-CB 4.3Å; F208-S227 PolarHBondContact N-O 2.79Å; F208-F228 HydrophobicContact CB-CD1 3.74Å; F208-F228 HydrophobicContact CB-CE1 4.15Å; F208-F228 HydrophobicContact CB-CG 4.38Å; F208-F228 HydrophobicContact CD1-CE1 4.31Å; F208-F228 AromaticContact CD2-CD1 3.83Å; F208-F228 HydrophobicContact CD2-CD1 3.83Å; F208-F228 AromaticContact CD2-CE1 3.45Å; F208-F228 HydrophobicContact CD2-CE1 3.45Å; F208-F228 VanDerWaalsContact CD2-CE1 3.45Å; F208-F228 HydrophobicContact CD2-CE2 4.34Å; F208-F228 HydrophobicContact CD2-CG 4.41Å; F208-F228 AromaticContact CD2-CZ 3.74Å; F208-F228 HydrophobicContact CD2-CZ 3.74Å; F208-F228 AromaticContact CE2-CE1 3.89Å; F208-F228 HydrophobicContact CE2-CE1 3.89Å; F208-F228 AromaticContact CE2-CZ 3.87Å; F208-F228 HydrophobicContact CE2-CZ 3.87Å; F208-F228 AromaticContact CG-CD1 3.84Å; F208-F228 HydrophobicContact CG-CD1 3.84Å; F208-F228 AromaticContact CG-CE1 3.71Å; F208-F228 HydrophobicContact CG-CE1 3.71Å; F208-F228 HydrophobicContact CG-CZ 4.44Å; F208-F228 HydrophobicContact CZ-CE1 4.48Å; F208-S229 PolarHBondContact O-N 2.88Å; F208-S232 PolarHBondContact O-OG 3.43Å
209E91.3Very high90.3Very high51 Ų5121 Ų2124%0.23811%0.111CC..EExtended strand (participates in β ladder)trans-124.1112.6178.3-59.3-172.4-16700109V183 F184 M185 P186 A211 S229 Q230 S232V183-E209 HydrophobicContact CG1-CG 4.22Å; F184-E209 PolarHBondContact O-N 3.09Å; M185-E209 HydrophobicContact CG-CB 4.23Å; P186-E209 WeakPolarHBondContact CD-O 3.32Å; E209-A211 PolarHBondContact O-N 2.9Å; E209-S229 WeakPolarHBondContact CA-O 3.4Å; E209-Q230 PolarHBondContact OE2-NE2 2.95Å; E209-S232 WeakPolarHBondContact CA-OG 3.43Å; E209-S232 PolarHBondContact N-OG 3.26Å
210G89.1Confident90.6Very high22 Ų2220.9 Ų20.923%0.22711%0.109CC..SBendtrans6220.7-174.200000115.2P186 S229 Q230 S232P186-G210 WeakPolarHBondContact CG-O 3.45Å; G210-S229 PolarHBondContact N-O 3.45Å; G210-S229 VanDerWaalsContact N-O 3.12Å; G210-Q230 WeakPolarHBondContact CA-O 3.46Å; G210-Q230 PolarHBondContact N-O 2.83Å; G210-S232 PolarHBondContact N-OG 2.66Å
211A92.5Very high90.8Very high0 Ų020.6 Ų20.60%011%0.108CC..  trans-122.2146.8-164.600000113.6T191 V193 F208 E209 S232 S233T191-A211 CarbonylContact O-C 3.59Å; V193-A211 HydrophobicContact CB-CB 4.26Å; V193-A211 HydrophobicContact CG1-CB 3.51Å; V193-A211 HydrophobicContact CG2-CB 3.73Å; F208-A211 HydrophobicContact CB-CB 4.3Å; F208-A211 HydrophobicContact CD1-CB 4.22Å; E209-A211 PolarHBondContact O-N 2.9Å; A211-S232 PolarHBondContact N-OG 2.75Å; A211-S232 CarbonylContact O-C 3.54Å; A211-S232 WeakPolarHBondContact O-CA 3.31Å; A211-S232 WeakPolarHBondContact O-CB 3.2Å; A211-S232 PolarHBondContact O-OG 2.85Å; A211-S233 PolarHBondContact O-N 2.87Å; A211-S233 VanDerWaalsContact O-N 3.12Å
212Q94.9Very high90.7Very high59 Ų5920.6 Ų20.628%0.27611%0.108SC..EExtended strand (participates in β ladder)trans-107.9130.1-179.7-56.6-174-1500112T191 V192 V193 S233T191-Q212 PolarHBondContact O-N 2.92Å; V192-Q212 WeakPolarHBondContact CA-O 2.99Å; V192-Q212 HydrophobicContact CG2-CB 4.14Å; V193-Q212 WeakPolarHBondContact CG2-O 3.33Å; V193-Q212 PolarHBondContact N-O 3.36Å; Q212-S233 WeakPolarHBondContact CA-O 3.29Å; Q212-S233 WeakPolarHBondContact CG-OG 3.43Å
213L96.4Very high90.7Very high3 Ų320 Ų202%0.01611%0.105CC..EExtended strand (participates in β ladder)trans-96.7120.6168.9174.663.7000109.1Y194 L203 F208 I215 F228 S233 H235Y194-L213 HydrophobicContact CD1-CD1 3.85Å; Y194-L213 HydrophobicContact CG-CD1 4.16Å; L203-L213 HydrophobicContact CD1-CD1 4.07Å; L203-L213 HydrophobicContact CD1-CD2 3.66Å; F208-L213 HydrophobicContact CE1-CB 4.3Å; L213-I215 HydrophobicContact CD1-CD1 3.86Å; L213-I215 HydrophobicContact CG-CD1 4.18Å; L213-I215 HydrophobicContact CG-CG1 4.34Å; L213-F228 HydrophobicContact CB-CE1 4.24Å; L213-F228 HydrophobicContact CD2-CE1 4.42Å; L213-F228 HydrophobicContact CD2-CZ 4.2Å; L213-S233 PolarHBondContact N-O 2.81Å; L213-H235 PolarHBondContact O-N 2.97Å
214Q97.2Very high90.5Very high39 Ų3921.3 Ų21.318%0.18211%0.11CC..EExtended strand (participates in β ladder)trans-118.7119-178.5-170.717762.500112.2V192 Y194 K195 T196 R216 H235 L237V192-Q214 HydrophobicContact CG1-CB 4Å; Y194-Q214 PolarHBondContact O-N 3.32Å; K195-Q214 VanDerWaalsContact CA-O 3.28Å; K195-Q214 WeakPolarHBondContact CA-O 3.32Å; K195-Q214 HydrophobicContact CB-CB 4.31Å; T196-Q214 PolarHBondContact N-O 3.07Å; T196-Q214 VanDerWaalsContact N-O 3.09Å; Q214-R216 HydrophobicContact CG-CG 4.46Å; Q214-H235 WeakPolarHBondContact CA-O 3.45Å; Q214-L237 HydrophobicContact CG-CD1 4.35Å
215I97.2Very high90.5Very high2 Ų222.9 Ų22.91%0.0112%0.117CC..EExtended strand (participates in β ladder)trans-119.9117.3178.1-46.8-63000108.2T196 V201 L213 C221 H235 L236 L237 V239T196-I215 HydrophobicContact CG2-CB 4.47Å; T196-I215 HydrophobicContact CG2-CD1 3.51Å; T196-I215 HydrophobicContact CG2-CG2 4.02Å; V201-I215 HydrophobicContact CG1-CD1 3.9Å; L213-I215 HydrophobicContact CD1-CD1 3.86Å; L213-I215 HydrophobicContact CG-CD1 4.18Å; L213-I215 HydrophobicContact CG-CG1 4.34Å; I215-C221 HydrophobicContact CD1-CB 3.72Å; I215-C221 HydrophobicContact CG1-CB 3.67Å; I215-C221 HydrophobicContact CG2-CB 4.25Å; I215-H235 PolarHBondContact N-O 2.79Å; I215-L236 HydrophobicContact CB-CD2 4.25Å; I215-L236 HydrophobicContact CG1-CD2 4.34Å; I215-L236 CarbonylContact O-C 3.56Å; I215-L236 WeakPolarHBondContact O-CA 3.35Å; I215-L237 PolarHBondContact O-N 3.15Å; I215-V239 HydrophobicContact CB-CG1 4.3Å; I215-V239 HydrophobicContact CG2-CG1 3.84Å
216R96.5Very high90.7Very high130 Ų13021.7 Ų21.749%0.49111%0.111SC..EExtended strand (participates in β ladder)trans-107.1134.2174-61.8-167.2172.2165.1-0.9110.2T196 S197 Q214 G219 L237T196-R216 PolarHBondContact O-N 3.31Å; S197-R216 CarbonylContact C-O 3.57Å; S197-R216 WeakPolarHBondContact CA-O 3.22Å; Q214-R216 HydrophobicContact CG-CG 4.46Å; R216-G219 WeakPolarHBondContact O-CA 3.17Å; R216-G219 PolarHBondContact O-N 2.99Å; R216-L237 CarbonylContact C-O 3.22Å; R216-L237 WeakPolarHBondContact CA-O 3.26Å; R216-L237 HydrophobicContact CG-CB 4.13Å; R216-L237 HydrophobicContact CG-CD1 3.95Å; R216-L237 HydrophobicContact CG-CG 4.49Å
217G91.8Very high90.9Very high24 Ų2422.9 Ų22.925%0.24712%0.119CC..THydrogen-bonded Turntrans-60.1141.9171.900000111.1G219 L237G217-G219 VanDerWaalsContact C-N 3.34Å; G217-L237 PolarHBondContact N-O 2.93Å
218P91.8Very high91.1Very high36 Ų3621.8 Ų21.823%0.23411%0.113CC..THydrogen-bonded Turncis-81.811.7734-38.5000115.8S197 E266 N268S197-P218 VanDerWaalsContact O-CD 3.26Å; S197-P218 WeakPolarHBondContact O-CD 3.39Å; P218-E266 HydrophobicContact CB-CB 4.07Å; P218-N268 PolarHBondContact O-ND2 3.39Å
219G92.8Very high90.8Very high0 Ų023 Ų230%012%0.122CC..  trans-61.5150.8169.800000113.1S197 G199 R216 G217S197-G219 PolarHBondContact O-N 3.33Å; S197-G219 VanDerWaalsContact O-N 3.14Å; G199-G219 WeakPolarHBondContact O-CA 3.37Å; R216-G219 WeakPolarHBondContact O-CA 3.17Å; R216-G219 PolarHBondContact O-N 2.99Å; G217-G219 VanDerWaalsContact C-N 3.34Å
220T93.4Very high90.4Very high1 Ų126.4 Ų26.41%0.00614%0.138CC..EExtended strand (participates in β ladder)trans-136.6152.3-179.657.40000111.3G199 H200 V201 L241 N268 L274G199-T220 PolarHBondContact O-N 3.33Å; G199-T220 PolarHBondContact O-OG1 3.07Å; H200-T220 WeakPolarHBondContact CA-O 3.45Å; H200-T220 PolarHBondContact ND1-OG1 3.29Å; V201-T220 PolarHBondContact N-O 2.84Å; V201-T220 VanDerWaalsContact N-O 3.09Å; T220-L241 WeakPolarHBondContact CB-O 3.29Å; T220-L241 WeakPolarHBondContact CG2-O 3.34Å; T220-N268 WeakPolarHBondContact CG2-ND2 3.42Å; T220-N268 PolarHBondContact OG1-ND2 2.85Å; T220-L274 HydrophobicContact CG2-CD1 4.42Å
221C94.6Very high90.1Very high1 Ų126 Ų261%0.00713%0.134CC..EExtended strand (participates in β ladder)trans-129.4143-179179.70000111.6V201 I215 S242 L243V201-C221 HydrophobicContact CG1-CB 3.94Å; V201-C221 WeakPolarHBondContact O-CA 3.45Å; I215-C221 HydrophobicContact CD1-CB 3.72Å; I215-C221 HydrophobicContact CG1-CB 3.67Å; I215-C221 HydrophobicContact CG2-CB 4.25Å; C221-S242 PolarHBondContact N-OG 2.89Å; C221-S242 VanDerWaalsContact N-OG 3.08Å; C221-S242 CarbonylContact O-C 3.56Å; C221-S242 WeakPolarHBondContact O-CA 3.09Å; C221-L243 PolarHBondContact O-N 3.07Å
222Q92Very high90Very high0 Ų026 Ų260%013%0.134CC..EExtended strand (participates in β ladder)trans-124.2108.8163.5172.2163.391.600109.3V201 Q202 L203 R224 L243 L274V201-Q222 PolarHBondContact O-N 3.14Å; Q202-Q222 CarbonylContact C-O 3.47Å; Q202-Q222 WeakPolarHBondContact CA-O 3.4Å; Q202-Q222 HydrophobicContact CG-CB 4.49Å; Q202-Q222 HydrophobicContact CG-CG 4.32Å; L203-Q222 PolarHBondContact N-O 2.99Å; Q222-R224 HydrophobicContact CG-CG 4.43Å; Q222-R224 VanDerWaalsContact OE1-CZ 3.24Å; Q222-L243 CarbonylContact C-O 3.56Å; Q222-L243 VanDerWaalsContact CA-O 3.29Å; Q222-L243 WeakPolarHBondContact CA-O 3.4Å; Q222-L274 HydrophobicContact CB-CD2 4.16Å
223A88.8Confident89.9Confident0 Ų023.5 Ų23.50%012%0.122CC..EExtended strand (participates in β ladder)trans-109.6130.8174.600000110.2L203 L243 L244 D245L203-A223 HydrophobicContact CB-CB 4.27Å; L203-A223 HydrophobicContact CD1-CB 4.39Å; L203-A223 CarbonylContact O-C 3.53Å; L203-A223 WeakPolarHBondContact O-CA 3.41Å; A223-L243 PolarHBondContact N-O 3.44Å; A223-L244 HydrophobicContact CB-CG 4.27Å; A223-D245 PolarHBondContact O-N 2.64Å
224R82.1Confident89.9Confident28 Ų2823.4 Ų23.411%0.10612%0.123CC..EExtended strand (participates in β ladder)trans-132.9135.5175.9-60.8-163-17384.5-3.8112Q202 L203 D204 N205 Q222 C226 D245Q202-R224 VanDerWaalsContact NE2-NH1 3.1Å; L203-R224 PolarHBondContact O-N 2.77Å; D204-R224 WeakPolarHBondContact CA-O 3.32Å; D204-R224 IonicContact OD1-NH1 3.69Å; N205-R224 PolarHBondContact N-O 2.92Å; Q222-R224 HydrophobicContact CG-CG 4.43Å; Q222-R224 VanDerWaalsContact OE1-CZ 3.24Å; R224-C226 PolarHBondContact O-N 3.11Å; R224-C226 VanDerWaalsContact O-N 3.07Å; R224-D245 VanDerWaalsContact CA-O 3.32Å; R224-D245 WeakPolarHBondContact CA-O 3.27Å; R224-D245 HydrophobicContact CG-CB 4.34Å
225F79.1Confident89.9Confident34 Ų3423.4 Ų23.415%0.14912%0.122CC..SBendtrans55.326178.4-46.5-73.3000112.8N59 D245 S246N59-F225 HydrophobicContact CB-CD2 4.17Å; N59-F225 HydrophobicContact CB-CE2 3.37Å; N59-F225 HydrophobicContact CB-CZ 3.9Å; N59-F225 VanDerWaalsContact O-CZ 3.29Å; N59-F225 WeakPolarHBondContact O-CZ 3.42Å; F225-D245 PolarHBondContact N-O 3.23Å; F225-S246 WeakPolarHBondContact CA-O 3.31Å
226C82.9Confident89.8Confident2 Ų223.5 Ų23.51%0.01412%0.123CC..  trans-84.1145.3176.6-63.70000110.4C206 R224 F228 C247 D248C206-C226 CarbonylContact O-C 3.54Å; C206-C226 WeakPolarHBondContact O-CA 3.32Å; C206-C226 VanDerWaalsContact O-CB 3.28Å; C206-C226 WeakPolarHBondContact O-CB 3.46Å; R224-C226 PolarHBondContact O-N 3.11Å; R224-C226 VanDerWaalsContact O-N 3.07Å; C226-F228 HydrophobicContact CB-CE2 3.92Å; C226-F228 HydrophobicContact CB-CZ 4.47Å; C226-C247 CarbonylContact O-C 3.57Å; C226-C247 WeakPolarHBondContact O-CA 3.49Å; C226-C247 WeakPolarHBondContact O-CB 3.32Å; C226-D248 PolarHBondContact O-N 2.86Å
227S85.5Confident89.9Confident25 Ų2519 Ų1918%0.17511%0.109CC..EExtended strand (participates in β ladder)trans-112.7142.2172.1710000110.9C206 N207 F208 D248C206-S227 PolarHBondContact O-N 2.85Å; N207-S227 CarbonylContact C-O 3.57Å; N207-S227 WeakPolarHBondContact CA-O 3.26Å; N207-S227 PolarHBondContact OD1-OG 2.83Å; F208-S227 PolarHBondContact N-O 2.79Å; S227-D248 CarbonylContact C-O 3.57Å; S227-D248 WeakPolarHBondContact CA-O 3.23Å
228F90.9Very high90Very high0 Ų018.6 Ų18.60%010%0.104CC..EExtended strand (participates in β ladder)trans-125.3107.3178.1-64.8-96.3000107.6F208 L213 C226 A234 D248 F249 S250F208-F228 HydrophobicContact CB-CD1 3.74Å; F208-F228 HydrophobicContact CB-CE1 4.15Å; F208-F228 HydrophobicContact CB-CG 4.38Å; F208-F228 HydrophobicContact CD1-CE1 4.31Å; F208-F228 AromaticContact CD2-CD1 3.83Å; F208-F228 HydrophobicContact CD2-CD1 3.83Å; F208-F228 AromaticContact CD2-CE1 3.45Å; F208-F228 HydrophobicContact CD2-CE1 3.45Å; F208-F228 VanDerWaalsContact CD2-CE1 3.45Å; F208-F228 HydrophobicContact CD2-CE2 4.34Å; F208-F228 HydrophobicContact CD2-CG 4.41Å; F208-F228 AromaticContact CD2-CZ 3.74Å; F208-F228 HydrophobicContact CD2-CZ 3.74Å; F208-F228 AromaticContact CE2-CE1 3.89Å; F208-F228 HydrophobicContact CE2-CE1 3.89Å; F208-F228 AromaticContact CE2-CZ 3.87Å; F208-F228 HydrophobicContact CE2-CZ 3.87Å; F208-F228 AromaticContact CG-CD1 3.84Å; F208-F228 HydrophobicContact CG-CD1 3.84Å; F208-F228 AromaticContact CG-CE1 3.71Å; F208-F228 HydrophobicContact CG-CE1 3.71Å; F208-F228 HydrophobicContact CG-CZ 4.44Å; F208-F228 HydrophobicContact CZ-CE1 4.48Å; L213-F228 HydrophobicContact CB-CE1 4.24Å; L213-F228 HydrophobicContact CD2-CE1 4.42Å; L213-F228 HydrophobicContact CD2-CZ 4.2Å; C226-F228 HydrophobicContact CB-CE2 3.92Å; C226-F228 HydrophobicContact CB-CZ 4.47Å; F228-A234 HydrophobicContact CE1-CB 4.24Å; F228-A234 HydrophobicContact CZ-CB 4.42Å; F228-D248 PolarHBondContact N-O 3.06Å; F228-F249 HydrophobicContact CB-CD1 3.52Å; F228-F249 HydrophobicContact CB-CE1 3.73Å; F228-F249 HydrophobicContact CB-CG 4.2Å; F228-F249 AromaticContact CD1-CE1 3.98Å; F228-F249 HydrophobicContact CD1-CE1 3.98Å; F228-F249 AromaticContact CD2-CD1 3.88Å; F228-F249 HydrophobicContact CD2-CD1 3.88Å; F228-F249 HydrophobicContact CD2-CD2 4.4Å; F228-F249 AromaticContact CD2-CE1 3.34Å; F228-F249 HydrophobicContact CD2-CE1 3.34Å; F228-F249 AromaticContact CD2-CE2 3.94Å; F228-F249 HydrophobicContact CD2-CE2 3.94Å; F228-F249 HydrophobicContact CD2-CG 4.37Å; F228-F249 AromaticContact CD2-CZ 3.36Å; F228-F249 HydrophobicContact CD2-CZ 3.36Å; F228-F249 HydrophobicContact CE1-CE1 4.45Å; F228-F249 AromaticContact CE2-CE1 3.89Å; F228-F249 HydrophobicContact CE2-CE1 3.89Å; F228-F249 HydrophobicContact CE2-CE2 4.24Å; F228-F249 AromaticContact CE2-CZ 3.55Å; F228-F249 HydrophobicContact CE2-CZ 3.55Å; F228-F249 AromaticContact CG-CD1 3.77Å; F228-F249 HydrophobicContact CG-CD1 3.77Å; F228-F249 AromaticContact CG-CE1 3.4Å; F228-F249 HydrophobicContact CG-CE1 3.4Å; F228-F249 VanDerWaalsContact CG-CE1 3.4Å; F228-F249 AromaticContact CG-CZ 3.95Å; F228-F249 HydrophobicContact CG-CZ 3.95Å; F228-F249 HydrophobicContact CZ-CE1 4.41Å; F228-F249 HydrophobicContact CZ-CZ 4.26Å; F228-F249 WeakPolarHBondContact O-CA 3.49Å; F228-S250 PolarHBondContact O-N 3.08Å
229S86.7Confident90.1Very high26 Ų2617.1 Ų17.118%0.1829%0.094CC..EExtended strand (participates in β ladder)trans-133.4174.5-176.773.90000112.4F208 E209 G210 G231 S232 S250F208-S229 PolarHBondContact O-N 2.88Å; E209-S229 WeakPolarHBondContact CA-O 3.4Å; G210-S229 PolarHBondContact N-O 3.45Å; G210-S229 VanDerWaalsContact N-O 3.12Å; S229-G231 PolarHBondContact O-N 3.39Å; S229-S232 VanDerWaalsContact O-CB 3.3Å; S229-S232 WeakPolarHBondContact O-CB 3.27Å; S229-S232 PolarHBondContact O-N 3.33Å; S229-S232 PolarHBondContact O-OG 2.87Å; S229-S250 WeakPolarHBondContact CA-O 3.28Å
230Q83.3Confident90.1Very high123 Ų12317.4 Ų17.458%0.57510%0.096SC*.THydrogen-bonded Turntrans53.132.2178.1-58.3178.528.400113.8E209 G210E209-Q230 PolarHBondContact OE2-NE2 2.95Å; G210-Q230 WeakPolarHBondContact CA-O 3.46Å; G210-Q230 PolarHBondContact N-O 2.83Å
231G81.4Confident90.1Very high14 Ų1417.9 Ų17.914%0.14410%0.098CC..THydrogen-bonded Turntrans91.216.5177.700000116.1S229 S252 T254S229-G231 PolarHBondContact O-N 3.39Å; G231-S252 VanDerWaalsContact CA-CB 3.45Å; G231-S252 WeakPolarHBondContact CA-OG 3.37Å; G231-S252 PolarHBondContact N-OG 3.5Å; G231-T254 WeakPolarHBondContact CA-OG1 3.34Å; G231-T254 PolarHBondContact O-OG1 3.12Å
232S90.3Very high90.1Very high0 Ų017.8 Ų17.80%010%0.098CC..  trans-70.1142.5173.2-60.30000113.3F208 E209 G210 A211 S229 A255F208-S232 PolarHBondContact O-OG 3.43Å; E209-S232 WeakPolarHBondContact CA-OG 3.43Å; E209-S232 PolarHBondContact N-OG 3.26Å; G210-S232 PolarHBondContact N-OG 2.66Å; A211-S232 PolarHBondContact N-OG 2.75Å; A211-S232 CarbonylContact O-C 3.54Å; A211-S232 WeakPolarHBondContact O-CA 3.31Å; A211-S232 WeakPolarHBondContact O-CB 3.2Å; A211-S232 PolarHBondContact O-OG 2.85Å; S229-S232 VanDerWaalsContact O-CB 3.3Å; S229-S232 WeakPolarHBondContact O-CB 3.27Å; S229-S232 PolarHBondContact O-N 3.33Å; S229-S232 PolarHBondContact O-OG 2.87Å; S232-A255 VanDerWaalsContact O-CA 3.26Å; S232-A255 WeakPolarHBondContact O-CA 3.47Å
233S93.5Very high90.2Very high5 Ų518.3 Ų18.34%0.03510%0.1CC..EExtended strand (participates in β ladder)trans-137.4156-179.960.40000112.3A211 Q212 L213 H235 S256A211-S233 PolarHBondContact O-N 2.87Å; A211-S233 VanDerWaalsContact O-N 3.12Å; Q212-S233 WeakPolarHBondContact CA-O 3.29Å; Q212-S233 WeakPolarHBondContact CG-OG 3.43Å; L213-S233 PolarHBondContact N-O 2.81Å; S233-H235 PolarHBondContact OG-CD2 2.8Å; S233-H235 VanDerWaalsContact OG-CD2 3.31Å; S233-H235 PolarHBondContact OG-NE2 2.96Å; S233-S256 WeakPolarHBondContact CA-O 3.48Å
234A95.8Very high90.4Very high2 Ų218.4 Ų18.42%0.01710%0.101CC..EExtended strand (participates in β ladder)trans-112.9120.6171.800000110.3F228 F249 S256 V257 T258F228-A234 HydrophobicContact CE1-CB 4.24Å; F228-A234 HydrophobicContact CZ-CB 4.42Å; A234-F249 HydrophobicContact CB-CE1 4.34Å; A234-S256 PolarHBondContact N-O 3.11Å; A234-V257 HydrophobicContact CB-CG2 4.3Å; A234-V257 CarbonylContact O-C 3.55Å; A234-V257 WeakPolarHBondContact O-CA 3.47Å; A234-T258 PolarHBondContact O-N 2.94Å
235H96.8Very high90.6Very high39 Ų3917.5 Ų17.518%0.18110%0.098CC..EExtended strand (participates in β ladder)trans-109.4117179.5-65.4-88.3000110.2L213 Q214 I215 S233L213-H235 PolarHBondContact O-N 2.97Å; Q214-H235 WeakPolarHBondContact CA-O 3.45Å; I215-H235 PolarHBondContact N-O 2.79Å; S233-H235 PolarHBondContact OG-CD2 2.8Å; S233-H235 VanDerWaalsContact OG-CD2 3.31Å; S233-H235 PolarHBondContact OG-NE2 2.96Å
236L97Very high90.8Very high4 Ų417.3 Ų17.32%0.02110%0.101CC..EExtended strand (participates in β ladder)trans-116.7108178.9-62.6119.7000109.2I215 V239 S242 V257 T258 V259 E260 C422I215-L236 HydrophobicContact CB-CD2 4.25Å; I215-L236 HydrophobicContact CG1-CD2 4.34Å; I215-L236 CarbonylContact O-C 3.56Å; I215-L236 WeakPolarHBondContact O-CA 3.35Å; L236-V239 HydrophobicContact CB-CG1 4.11Å; L236-V239 HydrophobicContact CB-CG2 3.84Å; L236-V239 HydrophobicContact CD2-CG1 4.28Å; L236-V239 HydrophobicContact CD2-CG2 4.12Å; L236-S242 VanDerWaalsContact CD2-CB 3.42Å; L236-V257 HydrophobicContact CD1-CG1 3.65Å; L236-T258 PolarHBondContact N-O 2.9Å; L236-V259 HydrophobicContact CD1-CG2 4.34Å; L236-V259 WeakPolarHBondContact O-CA 3.44Å; L236-E260 PolarHBondContact O-N 3.15Å; L236-C422 HydrophobicContact CD1-CB 4.3Å; L236-C422 VanDerWaalsContact CD1-SG 3.53Å
237L96.8Very high90.9Very high36 Ų3617.3 Ų17.319%0.18810%0.101CC..EExtended strand (participates in β ladder)trans-112.4113.3-170-51.5173.1000109.8Q214 I215 R216 G217 V239 E260Q214-L237 HydrophobicContact CG-CD1 4.35Å; I215-L237 PolarHBondContact O-N 3.15Å; R216-L237 CarbonylContact C-O 3.22Å; R216-L237 WeakPolarHBondContact CA-O 3.26Å; R216-L237 HydrophobicContact CG-CB 4.13Å; R216-L237 HydrophobicContact CG-CD1 3.95Å; R216-L237 HydrophobicContact CG-CG 4.49Å; G217-L237 PolarHBondContact N-O 2.93Å; L237-V239 PolarHBondContact O-N 3.32Å; L237-E260 CarbonylContact C-O 3.43Å; L237-E260 VanDerWaalsContact CA-O 3.28Å; L237-E260 WeakPolarHBondContact CA-O 3.06Å; L237-E260 HydrophobicContact CD2-CB 3.73Å
238G94Very high91Very high14 Ų1417.2 Ų17.214%0.14410%0.099CC..SBendtrans61.524.9178.500000114.2E260 P262 A264G238-E260 PolarHBondContact N-O 3.24Å; G238-P262 VanDerWaalsContact CA-O 3.26Å; G238-P262 WeakPolarHBondContact CA-O 3.43Å; G238-A264 WeakPolarHBondContact O-CB 3.29Å; G238-A264 PolarHBondContact O-N 2.83Å
239V94.3Very high91Very high5 Ų517.2 Ų17.23%0.0310%0.099CC..  trans-72.8136.3-176.4-61.90000111.1I215 L236 L237I215-V239 HydrophobicContact CB-CG1 4.3Å; I215-V239 HydrophobicContact CG2-CG1 3.84Å; L236-V239 HydrophobicContact CB-CG1 4.11Å; L236-V239 HydrophobicContact CB-CG2 3.84Å; L236-V239 HydrophobicContact CD2-CG1 4.28Å; L236-V239 HydrophobicContact CD2-CG2 4.12Å; L237-V239 PolarHBondContact O-N 3.32Å
240V92.7Very high91Very high7 Ų717 Ų174%0.04210%0.097CC..SBendtrans-76.3-41.1175.5-171.20000111.6A264 E266 R267 G421V240-A264 HydrophobicContact CG2-CB 3.9Å; V240-A264 WeakPolarHBondContact CG2-O 3.28Å; V240-E266 WeakPolarHBondContact CG2-O 3.42Å; V240-R267 HydrophobicContact CG1-CG 4.17Å; V240-G421 PolarHBondContact O-N 2.78Å
241L92.9Very high90.6Very high10 Ų1013.8 Ų13.85%0.05210%0.097CC..EExtended strand (participates in β ladder)trans-160.3112.7-175.9-170.659.1000111.6T220 C271 L274 A275 I419 G421 I423T220-L241 WeakPolarHBondContact CB-O 3.29Å; T220-L241 WeakPolarHBondContact CG2-O 3.34Å; L241-C271 WeakPolarHBondContact CD2-O 3.5Å; L241-L274 HydrophobicContact CD2-CB 3.43Å; L241-L274 VanDerWaalsContact CD2-CB 3.43Å; L241-L274 HydrophobicContact CG-CB 3.74Å; L241-L274 HydrophobicContact CG-CD1 4.22Å; L241-L274 VanDerWaalsContact O-CD1 3.26Å; L241-L274 WeakPolarHBondContact O-CD1 3.28Å; L241-A275 HydrophobicContact CD2-CB 3.94Å; L241-I419 WeakPolarHBondContact CD1-O 3.4Å; L241-G421 VanDerWaalsContact CA-O 3.26Å; L241-G421 WeakPolarHBondContact CA-O 3.35Å; L241-I423 HydrophobicContact CD1-CD1 3.63Å; L241-I423 HydrophobicContact CD1-CG1 4.12Å
242S95.6Very high90.3Very high0 Ų014.5 Ų14.50%010%0.1CC..EExtended strand (participates in β ladder)trans-133.7152.4170.7-71.90000109.8C221 L236 G421 I423C221-S242 PolarHBondContact N-OG 2.89Å; C221-S242 VanDerWaalsContact N-OG 3.08Å; C221-S242 CarbonylContact O-C 3.56Å; C221-S242 WeakPolarHBondContact O-CA 3.09Å; L236-S242 VanDerWaalsContact CD2-CB 3.42Å; S242-G421 PolarHBondContact N-O 2.96Å; S242-G421 VanDerWaalsContact N-O 3.11Å; S242-I423 PolarHBondContact O-N 2.85Å
243L93.2Very high89.7Confident10 Ų1018.2 Ų18.25%0.05212%0.12CC..EExtended strand (participates in β ladder)trans-127.7121.3-176.1178.966.2000110.8C221 Q222 A223 D245 L274 I423C221-L243 PolarHBondContact O-N 3.07Å; Q222-L243 CarbonylContact C-O 3.56Å; Q222-L243 VanDerWaalsContact CA-O 3.29Å; Q222-L243 WeakPolarHBondContact CA-O 3.4Å; A223-L243 PolarHBondContact N-O 3.44Å; L243-D245 HydrophobicContact CG-CB 4.41Å; L243-L274 HydrophobicContact CB-CD2 4.3Å; L243-I423 CarbonylContact C-O 3.37Å; L243-I423 WeakPolarHBondContact CA-O 2.92Å; L243-I423 HydrophobicContact CD1-CB 3.86Å; L243-I423 HydrophobicContact CD1-CG2 3.67Å
244L94Very high89Confident2 Ų221.6 Ų21.61%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-111.4118.3166.9-76.462.4000106.9A223 F249 V257 I423 L424 R425A223-L244 HydrophobicContact CB-CG 4.27Å; L244-F249 HydrophobicContact CD2-CE2 4.32Å; L244-F249 HydrophobicContact CD2-CZ 3.89Å; L244-V257 HydrophobicContact CD2-CG2 3.92Å; L244-I423 PolarHBondContact N-O 3.14Å; L244-L424 HydrophobicContact CB-CG 4.37Å; L244-L424 WeakPolarHBondContact O-CA 3.03Å; L244-R425 PolarHBondContact O-N 3.3Å
245D86.8Confident88.5Confident9 Ų921.7 Ų21.75%0.04814%0.141CC..EExtended strand (participates in β ladder)trans-127.7125.1-176.6-178.25.8000110.6A223 R224 F225 L243 C247 R425 R426A223-D245 PolarHBondContact O-N 2.64Å; R224-D245 VanDerWaalsContact CA-O 3.32Å; R224-D245 WeakPolarHBondContact CA-O 3.27Å; R224-D245 HydrophobicContact CG-CB 4.34Å; F225-D245 PolarHBondContact N-O 3.23Å; L243-D245 HydrophobicContact CG-CB 4.41Å; D245-C247 VanDerWaalsContact C-N 3.25Å; D245-C247 PolarHBondContact O-N 3.3Å; D245-R425 CarbonylContact C-O 3.42Å; D245-R425 VanDerWaalsContact CA-O 3.31Å; D245-R425 WeakPolarHBondContact CA-O 3.46Å; D245-R426 IonicContact OD1-CZ 2.78Å; D245-R426 VanDerWaalsContact OD1-CZ 3.32Å; D245-R426 IonicContact OD1-NE 2.84Å; D245-R426 PolarHBondContact OD1-NE 3.17Å; D245-R426 VanDerWaalsContact OD1-NE 3.15Å; D245-R426 IonicContact OD1-NH2 2.66Å; D245-R426 PolarHBondContact OD1-NH2 2.98Å; D245-R426 IonicContact OD2-CZ 2.68Å; D245-R426 IonicContact OD2-NH2 3.08Å; D245-R426 PolarHBondContact OD2-NH2 2.82Å
246S83.3Confident88.3Confident30 Ų3020.8 Ų20.821%0.2114%0.139CC..SBendtrans58.838.3176.2-49.70000112.7F225 R425 R426F225-S246 WeakPolarHBondContact CA-O 3.31Å; S246-R425 PolarHBondContact N-O 3.02Å; S246-R426 WeakPolarHBondContact CA-O 3.08Å
247C85.2Confident88.3Confident3 Ų320.6 Ų20.62%0.0214%0.138CC..  trans-91.6148.8175.8-67.40000111.6C226 D245 F249 C427 L428C226-C247 CarbonylContact O-C 3.57Å; C226-C247 WeakPolarHBondContact O-CA 3.49Å; C226-C247 WeakPolarHBondContact O-CB 3.32Å; D245-C247 VanDerWaalsContact C-N 3.25Å; D245-C247 PolarHBondContact O-N 3.3Å; C247-F249 HydrophobicContact CB-CD2 4.45Å; C247-F249 HydrophobicContact CB-CE2 3.79Å; C247-C427 CarbonylContact O-C 3.4Å; C247-C427 WeakPolarHBondContact O-CA 3.5Å; C247-C427 WeakPolarHBondContact O-CB 3.15Å; C247-L428 PolarHBondContact O-N 3.28Å
248D86.3Confident88.2Confident22 Ų2219.8 Ų19.812%0.11814%0.135CC..EExtended strand (participates in β ladder)trans-109.9126.7175.5-173.6-23000109.6C226 S227 F228 S250 L428 R430C226-D248 PolarHBondContact O-N 2.86Å; S227-D248 CarbonylContact C-O 3.57Å; S227-D248 WeakPolarHBondContact CA-O 3.23Å; F228-D248 PolarHBondContact N-O 3.06Å; D248-S250 VanDerWaalsContact OD1-CB 3.23Å; D248-S250 WeakPolarHBondContact OD1-CB 3.43Å; D248-S250 PolarHBondContact OD1-OG 2.84Å; D248-L428 CarbonylContact C-O 3.45Å; D248-L428 WeakPolarHBondContact CA-O 3.28Å; D248-R430 IonicContact OD1-NE 3.7Å; D248-R430 IonicContact OD2-CZ 2.7Å; D248-R430 IonicContact OD2-NE 3.1Å; D248-R430 IonicContact OD2-NH2 3.56Å; D248-R430 PolarHBondContact OD2-NH2 3.01Å
249F90.8Very high88.4Confident1 Ų119.3 Ų19.30%0.00413%0.129CC..EExtended strand (participates in β ladder)trans-116.6109.2171.4-66.3-97.6000107.8F228 A234 L244 C247 V257 L428 F429 R430F228-F249 HydrophobicContact CB-CD1 3.52Å; F228-F249 HydrophobicContact CB-CE1 3.73Å; F228-F249 HydrophobicContact CB-CG 4.2Å; F228-F249 AromaticContact CD1-CE1 3.98Å; F228-F249 HydrophobicContact CD1-CE1 3.98Å; F228-F249 AromaticContact CD2-CD1 3.88Å; F228-F249 HydrophobicContact CD2-CD1 3.88Å; F228-F249 HydrophobicContact CD2-CD2 4.4Å; F228-F249 AromaticContact CD2-CE1 3.34Å; F228-F249 HydrophobicContact CD2-CE1 3.34Å; F228-F249 AromaticContact CD2-CE2 3.94Å; F228-F249 HydrophobicContact CD2-CE2 3.94Å; F228-F249 HydrophobicContact CD2-CG 4.37Å; F228-F249 AromaticContact CD2-CZ 3.36Å; F228-F249 HydrophobicContact CD2-CZ 3.36Å; F228-F249 HydrophobicContact CE1-CE1 4.45Å; F228-F249 AromaticContact CE2-CE1 3.89Å; F228-F249 HydrophobicContact CE2-CE1 3.89Å; F228-F249 HydrophobicContact CE2-CE2 4.24Å; F228-F249 AromaticContact CE2-CZ 3.55Å; F228-F249 HydrophobicContact CE2-CZ 3.55Å; F228-F249 AromaticContact CG-CD1 3.77Å; F228-F249 HydrophobicContact CG-CD1 3.77Å; F228-F249 AromaticContact CG-CE1 3.4Å; F228-F249 HydrophobicContact CG-CE1 3.4Å; F228-F249 VanDerWaalsContact CG-CE1 3.4Å; F228-F249 AromaticContact CG-CZ 3.95Å; F228-F249 HydrophobicContact CG-CZ 3.95Å; F228-F249 HydrophobicContact CZ-CE1 4.41Å; F228-F249 HydrophobicContact CZ-CZ 4.26Å; F228-F249 WeakPolarHBondContact O-CA 3.49Å; A234-F249 HydrophobicContact CB-CE1 4.34Å; L244-F249 HydrophobicContact CD2-CE2 4.32Å; L244-F249 HydrophobicContact CD2-CZ 3.89Å; C247-F249 HydrophobicContact CB-CD2 4.45Å; C247-F249 HydrophobicContact CB-CE2 3.79Å; F249-V257 HydrophobicContact CD1-CG2 4.27Å; F249-V257 HydrophobicContact CE1-CG2 3.53Å; F249-V257 HydrophobicContact CE2-CG2 3.83Å; F249-V257 HydrophobicContact CZ-CG2 3.28Å; F249-L428 PolarHBondContact N-O 3.38Å; F249-F429 HydrophobicContact CB-CD1 3.59Å; F249-F429 HydrophobicContact CB-CE1 3.88Å; F249-F429 HydrophobicContact CB-CG 4.31Å; F249-F429 HydrophobicContact CD1-CE1 4.18Å; F249-F429 AromaticContact CD2-CD1 3.92Å; F249-F429 HydrophobicContact CD2-CD1 3.92Å; F249-F429 AromaticContact CD2-CE1 3.42Å; F249-F429 HydrophobicContact CD2-CE1 3.42Å; F249-F429 VanDerWaalsContact CD2-CE1 3.42Å; F249-F429 HydrophobicContact CD2-CE2 4.32Å; F249-F429 AromaticContact CD2-CZ 3.64Å; F249-F429 HydrophobicContact CD2-CZ 3.64Å; F249-F429 AromaticContact CE2-CE1 3.98Å; F249-F429 HydrophobicContact CE2-CE1 3.98Å; F249-F429 AromaticContact CE2-CZ 3.89Å; F249-F429 HydrophobicContact CE2-CZ 3.89Å; F249-F429 AromaticContact CG-CD1 3.83Å; F249-F429 HydrophobicContact CG-CD1 3.83Å; F249-F429 AromaticContact CG-CE1 3.55Å; F249-F429 HydrophobicContact CG-CE1 3.55Å; F249-F429 HydrophobicContact CG-CZ 4.25Å; F249-F429 WeakPolarHBondContact O-CA 3.24Å; F249-R430 PolarHBondContact O-N 2.64Å
250S87.4Confident88.5Confident21 Ų2122.6 Ų22.615%0.14714%0.144CC..EExtended strand (participates in β ladder)trans-149.6156-172.346.50000115.6F228 S229 D248 S252 R430F228-S250 PolarHBondContact O-N 3.08Å; S229-S250 WeakPolarHBondContact CA-O 3.28Å; D248-S250 VanDerWaalsContact OD1-CB 3.23Å; D248-S250 WeakPolarHBondContact OD1-CB 3.43Å; D248-S250 PolarHBondContact OD1-OG 2.84Å; S250-S252 PolarHBondContact O-N 2.58Å; S250-R430 WeakPolarHBondContact CA-O 3.31Å
251G73.9Confident88.5Confident55 Ų5523.1 Ų23.157%0.56715%0.15SC*.SBendtrans7723162.100000115.5D431G251-D431 PolarHBondContact N-O 3.21Å
252S76.8Confident88.4Confident30 Ų3026.6 Ų26.621%0.2117%0.173CC..SBendtrans-163.1154.8171.3179.50000112.9G231 S250 T254 A255 D431 G432G231-S252 VanDerWaalsContact CA-CB 3.45Å; G231-S252 WeakPolarHBondContact CA-OG 3.37Å; G231-S252 PolarHBondContact N-OG 3.5Å; S250-S252 PolarHBondContact O-N 2.58Å; S252-T254 VanDerWaalsContact C-N 3.25Å; S252-T254 PolarHBondContact O-N 2.82Å; S252-T254 PolarHBondContact OG-N 2.87Å; S252-T254 PolarHBondContact OG-OG1 2.62Å; S252-A255 WeakPolarHBondContact O-CB 3.27Å; S252-A255 PolarHBondContact O-N 3.05Å; S252-D431 PolarHBondContact N-O 2.74Å; S252-G432 VanDerWaalsContact O-CA 3.28Å; S252-G432 WeakPolarHBondContact O-CA 3.5Å
253D76.3Confident88Confident78 Ų7828.3 Ų28.342%0.41719%0.185SC..THydrogen-bonded Turntrans-59.2-31.7173-78.8-3.8000113.9K433D253-K433 HydrophobicContact CB-CB 4.01Å; D253-K433 HydrophobicContact CB-CD 3.76Å; D253-K433 HydrophobicContact CB-CG 3.99Å; D253-K433 VanDerWaalsContact CG-CE 3.48Å; D253-K433 WeakPolarHBondContact O-CB 3.41Å; D253-K433 WeakPolarHBondContact OD1-CG 3.31Å; D253-K433 VanDerWaalsContact OD2-CD 3.31Å; D253-K433 WeakPolarHBondContact OD2-CD 3.49Å; D253-K433 WeakPolarHBondContact OD2-CE 3.39Å; D253-K433 IonicContact OD2-NZ 3.92Å; D253-K433 PolarHBondContact OD2-NZ 3.33Å
254T79.5Confident87.7Confident76 Ų7629.3 Ų29.347%0.46620%0.195SC..THydrogen-bonded Turntrans-95.9-2.8-177.257.20000113.3G231 S252 S256G231-T254 WeakPolarHBondContact CA-OG1 3.34Å; G231-T254 PolarHBondContact O-OG1 3.12Å; S252-T254 VanDerWaalsContact C-N 3.25Å; S252-T254 PolarHBondContact O-N 2.82Å; S252-T254 PolarHBondContact OG-N 2.87Å; S252-T254 PolarHBondContact OG-OG1 2.62Å; T254-S256 PolarHBondContact O-N 3.01Å; T254-S256 PolarHBondContact O-OG 3.26Å
255A84.7Confident87.4Confident3 Ų334.8 Ų34.83%0.02523%0.233CC..  trans-6791.8178.900000111.8S232 S252S232-A255 VanDerWaalsContact O-CA 3.26Å; S232-A255 WeakPolarHBondContact O-CA 3.47Å; S252-A255 WeakPolarHBondContact O-CB 3.27Å; S252-A255 PolarHBondContact O-N 3.05Å
256S92.9Very high87.4Confident20 Ų2040.6 Ų40.614%0.1426%0.26CS..EExtended strand (participates in β ladder)trans-154.3163.6-168.761.20000113.4S233 A234 T254 G435S233-S256 WeakPolarHBondContact CA-O 3.48Å; A234-S256 PolarHBondContact N-O 3.11Å; T254-S256 PolarHBondContact O-N 3.01Å; T254-S256 PolarHBondContact O-OG 3.26Å; S256-G435 WeakPolarHBondContact CA-O 3.24Å; S256-G435 WeakPolarHBondContact CB-O 3.48Å
257V96.5Very high87.5Confident0 Ų047.8 Ų47.80%028%0.282CS..EExtended strand (participates in β ladder)trans-109121.5168.1178.90000109A234 L236 L244 F249 V259 L424 F429 G435 V436 H437A234-V257 HydrophobicContact CB-CG2 4.3Å; A234-V257 CarbonylContact O-C 3.55Å; A234-V257 WeakPolarHBondContact O-CA 3.47Å; L236-V257 HydrophobicContact CD1-CG1 3.65Å; L244-V257 HydrophobicContact CD2-CG2 3.92Å; F249-V257 HydrophobicContact CD1-CG2 4.27Å; F249-V257 HydrophobicContact CE1-CG2 3.53Å; F249-V257 HydrophobicContact CE2-CG2 3.83Å; F249-V257 HydrophobicContact CZ-CG2 3.28Å; V257-V259 HydrophobicContact CG1-CG2 4.15Å; V257-L424 HydrophobicContact CB-CD2 4.12Å; V257-L424 HydrophobicContact CG1-CD2 4.15Å; V257-L424 HydrophobicContact CG2-CD2 3.86Å; V257-F429 HydrophobicContact CB-CE1 4.5Å; V257-F429 HydrophobicContact CG2-CE1 3.89Å; V257-F429 HydrophobicContact CG2-CZ 3.9Å; V257-G435 PolarHBondContact N-O 3.42Å; V257-V436 HydrophobicContact CB-CG2 4.36Å; V257-V436 CarbonylContact O-C 3.51Å; V257-V436 WeakPolarHBondContact O-CA 3.33Å; V257-H437 PolarHBondContact O-N 2.95Å
258T96.3Very high87.4Confident20 Ų2048.9 Ų48.912%0.12329%0.288CS..EExtended strand (participates in β ladder)trans-107.6126.9175-58.40000109.7A234 L236 H437A234-T258 PolarHBondContact O-N 2.94Å; L236-T258 PolarHBondContact N-O 2.9Å; T258-H437 CarbonylContact C-O 3.54Å; T258-H437 WeakPolarHBondContact CA-O 3.23Å
259V97.1Very high87.2Confident4 Ų452.6 Ų52.62%0.02430%0.3CS..EExtended strand (participates in β ladder)trans-120.4117.5175.9-172.50000109L236 V257 C422 H437 L438 S439 Q443 A444L236-V259 HydrophobicContact CD1-CG2 4.34Å; L236-V259 WeakPolarHBondContact O-CA 3.44Å; V257-V259 HydrophobicContact CG1-CG2 4.15Å; V259-C422 HydrophobicContact CG1-CB 4.38Å; V259-C422 HydrophobicContact CG2-CB 3.74Å; V259-H437 PolarHBondContact N-O 3.3Å; V259-L438 HydrophobicContact CB-CG 4.35Å; V259-L438 WeakPolarHBondContact O-CA 3.14Å; V259-S439 PolarHBondContact O-N 3.33Å; V259-Q443 WeakPolarHBondContact CG1-O 3.45Å; V259-A444 HydrophobicContact CG2-CB 4.37Å
260E96.8Very high86.7Confident74 Ų7452.6 Ų52.635%0.34630%0.3SS..EExtended strand (participates in β ladder)trans-134.4146.5-174.3-174.2180177.800111.3L236 L237 G238 S439 N440L236-E260 PolarHBondContact O-N 3.15Å; L237-E260 CarbonylContact C-O 3.43Å; L237-E260 VanDerWaalsContact CA-O 3.28Å; L237-E260 WeakPolarHBondContact CA-O 3.06Å; L237-E260 HydrophobicContact CD2-CB 3.73Å; G238-E260 PolarHBondContact N-O 3.24Å; E260-S439 WeakPolarHBondContact CA-O 3.49Å; E260-S439 WeakPolarHBondContact CG-OG 3.39Å; E260-N440 HydrophobicContact CG-CB 3.95Å; E260-N440 PolarHBondContact OE1-ND2 2.88Å
261G93.4Very high86.5Confident17 Ų1752 Ų5218%0.17530%0.296CS..SBendtrans88.9150.8171.400000112.9S439 N440 G442G261-S439 PolarHBondContact N-O 2.95Å; G261-N440 CarbonylContact C-O 3.54Å; G261-N440 VanDerWaalsContact C-O 3.24Å; G261-N440 WeakPolarHBondContact CA-O 3.5Å; G261-N440 PolarHBondContact N-O 2.9Å; G261-G442 WeakPolarHBondContact O-CA 3.33Å
262P89.7Confident86.7Confident83 Ų8358 Ų5854%0.53931%0.307SS..PPolyproline II helixtrans-63.5145.7175.427.8-34.2000110.4G238 A264G238-P262 VanDerWaalsContact CA-O 3.26Å; G238-P262 WeakPolarHBondContact CA-O 3.43Å; P262-A264 PolarHBondContact O-N 2.85Å
263P87.5Confident86.7Confident37 Ų3759 Ų5924%0.2431%0.308CS..PPolyproline II helixtrans-54.8131.3174-24.933.7000111.6Q443P263-Q443 HydrophobicContact CG-CB 4.36Å; P263-Q443 HydrophobicContact CG-CG 3.96Å
264A87.1Confident87.1Confident31 Ų3155.3 Ų55.326%0.25629%0.288SS..PPolyproline II helixtrans-56.8148.4175.400000112G238 V240 P262 E266G238-A264 WeakPolarHBondContact O-CB 3.29Å; G238-A264 PolarHBondContact O-N 2.83Å; V240-A264 HydrophobicContact CG2-CB 3.9Å; V240-A264 WeakPolarHBondContact CG2-O 3.28Å; P262-A264 PolarHBondContact O-N 2.85Å; A264-E266 VanDerWaalsContact C-N 3.35Å
265S86.7Confident87.3Confident116 Ų11652.2 Ų52.281%0.81127%0.27SS*.SBendtrans-71.8-33.317653.30000112.1
266E86.5Confident86.9Confident131 Ų13154.4 Ų54.461%0.61229%0.289SS*.  trans-77.8133.2-178.4-65.1-176.1-177.800112.1P218 V240 A264P218-E266 HydrophobicContact CB-CB 4.07Å; V240-E266 WeakPolarHBondContact CG2-O 3.42Å; A264-E266 VanDerWaalsContact C-N 3.35Å
267R86Confident86Confident181 Ų18154.9 Ų54.968%0.68329%0.289SS*.  trans-112.7127.5177.9-64.6-176.7-178178.30.4110V240 C271V240-R267 HydrophobicContact CG1-CG 4.17Å; R267-C271 HydrophobicContact CB-CB 4.19Å
268N83.8Confident85.2Confident26 Ų2656 Ų5614%0.13930%0.298CS..  trans-79.7175.4171.673.638000111.7G199 P218 T220 A270 C271G199-N268 PolarHBondContact O-ND2 3.23Å; P218-N268 PolarHBondContact O-ND2 3.39Å; T220-N268 WeakPolarHBondContact CG2-ND2 3.42Å; T220-N268 PolarHBondContact OG1-ND2 2.85Å; N268-A270 PolarHBondContact O-N 2.88Å; N268-A270 WeakPolarHBondContact OD1-CA 3.46Å; N268-A270 WeakPolarHBondContact OD1-CB 3.4Å; N268-A270 PolarHBondContact OD1-N 2.84Å; N268-C271 PolarHBondContact O-N 3.18Å; N268-C271 PolarHBondContact OD1-N 3.19Å
269W81.1Confident84.3Confident101 Ų10162.8 Ų62.838%0.38332%0.322SS..THydrogen-bonded Turntrans-60-30-177.869.6-96.9000113.4C97 P175 H200C97-W269 HydrophobicContact CB-CE3 4.17Å; C97-W269 HydrophobicContact CB-CH2 3.01Å; C97-W269 HydrophobicContact CB-CZ2 3.64Å; C97-W269 HydrophobicContact CB-CZ3 3.31Å; C97-W269 WeakPolarHBondContact SG-CH2 3.28Å; C97-W269 WeakPolarHBondContact SG-CZ2 3.47Å; C97-W269 VanDerWaalsContact SG-CZ3 3.56Å; P175-W269 PolarHBondContact O-NE1 3.02Å; P175-W269 VanDerWaalsContact O-NE1 3.15Å; H200-W269 HydrophobicContact CB-CH2 4.17Å; H200-W269 HydrophobicContact CB-CZ2 3.54Å; H200-W269 AromaticContact CD2-CH2 3.8Å; H200-W269 AromaticContact CD2-CZ2 3.96Å
270A80.5Confident82.6Confident0 Ų066.3 Ų66.30%035%0.347CS..Hα-helixtrans-78.4-20.3-175.200000113H200 N268 K272 H273 L274H200-A270 HydrophobicContact CB-CB 3.58Å; H200-A270 VanDerWaalsContact CG-CB 3.44Å; N268-A270 PolarHBondContact O-N 2.88Å; N268-A270 WeakPolarHBondContact OD1-CA 3.46Å; N268-A270 WeakPolarHBondContact OD1-CB 3.4Å; N268-A270 PolarHBondContact OD1-N 2.84Å; A270-K272 VanDerWaalsContact C-N 3.27Å; A270-K272 PolarHBondContact O-N 3.36Å; A270-H273 WeakPolarHBondContact O-CA 3.29Å; A270-H273 WeakPolarHBondContact O-CB 3.31Å; A270-H273 PolarHBondContact O-N 3.33Å; A270-L274 WeakPolarHBondContact O-CG 3.38Å; A270-L274 PolarHBondContact O-N 2.87Å
271C83.2Confident80.6Confident10 Ų1065.5 Ų65.57%0.06834%0.342CS..Hα-helixtrans-55.6-40.2179.6-66.10000112.6L241 R267 N268 H273 A275L241-C271 WeakPolarHBondContact CD2-O 3.5Å; R267-C271 HydrophobicContact CB-CB 4.19Å; N268-C271 PolarHBondContact O-N 3.18Å; N268-C271 PolarHBondContact OD1-N 3.19Å; C271-H273 VanDerWaalsContact C-N 3.34Å; C271-H273 PolarHBondContact O-N 2.99Å; C271-A275 WeakPolarHBondContact O-CB 3.32Å; C271-A275 PolarHBondContact O-N 3.12Å
272K78.6Confident78.1Confident181 Ų18169.1 Ų69.179%0.78736%0.362SS*.Hα-helixtrans-63.7-41.1176.3-71.4-176.1-179.3178.50111.9A270 A276A270-K272 VanDerWaalsContact C-N 3.27Å; A270-K272 PolarHBondContact O-N 3.36Å; K272-A276 WeakPolarHBondContact O-CB 3.28Å; K272-A276 PolarHBondContact O-N 2.89Å
273H77.5Confident75.6Confident49 Ų4969.4 Ų69.423%0.22737%0.366CS..Hα-helixtrans-67.6-48.7178.8173.363.9000111.8A270 C271 A275 A276 L277A270-H273 WeakPolarHBondContact O-CA 3.29Å; A270-H273 WeakPolarHBondContact O-CB 3.31Å; A270-H273 PolarHBondContact O-N 3.33Å; C271-H273 VanDerWaalsContact C-N 3.34Å; C271-H273 PolarHBondContact O-N 2.99Å; H273-A275 VanDerWaalsContact C-N 3.29Å; H273-A275 PolarHBondContact O-N 2.83Å; H273-A276 WeakPolarHBondContact O-CB 3.22Å; H273-A276 PolarHBondContact O-N 3.14Å; H273-L277 VanDerWaalsContact NE2-CD1 3.27Å; H273-L277 WeakPolarHBondContact NE2-CD1 3.32Å; H273-L277 PolarHBondContact O-N 2.8Å
274L83.1Confident73.1Confident2 Ų276.6 Ų76.61%0.0140%0.397CS..Hα-helixtrans-62-38.1177.3-67.4177.1000111.5T220 Q222 L241 L243 A270 L277 A278T220-L274 HydrophobicContact CG2-CD1 4.42Å; Q222-L274 HydrophobicContact CB-CD2 4.16Å; L241-L274 HydrophobicContact CD2-CB 3.43Å; L241-L274 VanDerWaalsContact CD2-CB 3.43Å; L241-L274 HydrophobicContact CG-CB 3.74Å; L241-L274 HydrophobicContact CG-CD1 4.22Å; L241-L274 VanDerWaalsContact O-CD1 3.26Å; L241-L274 WeakPolarHBondContact O-CD1 3.28Å; L243-L274 HydrophobicContact CB-CD2 4.3Å; A270-L274 WeakPolarHBondContact O-CG 3.38Å; A270-L274 PolarHBondContact O-N 2.87Å; L274-L277 HydrophobicContact CD2-CD1 4.42Å; L274-L277 PolarHBondContact O-N 2.9Å; L274-A278 WeakPolarHBondContact O-CB 3.45Å; L274-A278 PolarHBondContact O-N 2.85Å
275A84.4Confident70.3Confident11 Ų1179.7 Ų79.79%0.09142%0.416CS..Hα-helixtrans-67.3-37.8176.400000112L241 C271 H273 R279 I419L241-A275 HydrophobicContact CD2-CB 3.94Å; C271-A275 WeakPolarHBondContact O-CB 3.32Å; C271-A275 PolarHBondContact O-N 3.12Å; H273-A275 VanDerWaalsContact C-N 3.29Å; H273-A275 PolarHBondContact O-N 2.83Å; A275-R279 WeakPolarHBondContact O-CG 3.2Å; A275-R279 PolarHBondContact O-N 3.19Å; A275-R279 PolarHBondContact O-NE 2.91Å; A275-I419 HydrophobicContact CB-CD1 3.47Å; A275-I419 VanDerWaalsContact CB-CD1 3.47Å
276A77.2Confident67.5Low49 Ų4979.8 Ų79.841%0.40542%0.417SS..Hα-helixtrans-66-42.6172.900000111.3K272 H273 R279 S280K272-A276 WeakPolarHBondContact O-CB 3.28Å; K272-A276 PolarHBondContact O-N 2.89Å; H273-A276 WeakPolarHBondContact O-CB 3.22Å; H273-A276 PolarHBondContact O-N 3.14Å; A276-R279 PolarHBondContact O-N 3.08Å; A276-S280 VanDerWaalsContact O-CB 3.23Å; A276-S280 WeakPolarHBondContact O-CB 3.41Å; A276-S280 PolarHBondContact O-N 3.04Å; A276-S280 PolarHBondContact O-OG 2.83Å
277L74.1Confident64.6Low29 Ų2978.6 Ų78.615%0.15242%0.424CS..Hα-helixtrans-59.3-51.1174.8-77175.8000111H273 L274 R279 S280 F281H273-L277 VanDerWaalsContact NE2-CD1 3.27Å; H273-L277 WeakPolarHBondContact NE2-CD1 3.32Å; H273-L277 PolarHBondContact O-N 2.8Å; L274-L277 HydrophobicContact CD2-CD1 4.42Å; L274-L277 PolarHBondContact O-N 2.9Å; L277-R279 PolarHBondContact O-N 2.73Å; L277-S280 PolarHBondContact O-N 2.81Å; L277-S280 VanDerWaalsContact O-N 3.1Å; L277-S280 PolarHBondContact O-OG 3.09Å; L277-F281 HydrophobicContact CB-CE2 4.5Å; L277-F281 WeakPolarHBondContact O-CD2 3.29Å; L277-F281 WeakPolarHBondContact O-CE2 3.44Å
278A79.1Confident61.7Low23 Ų2375.8 Ų75.819%0.1943%0.427CS..Hα-helixtrans-53.9-38.3177.800000112.6L274 I419 I423L274-A278 WeakPolarHBondContact O-CB 3.45Å; L274-A278 PolarHBondContact O-N 2.85Å; A278-I419 HydrophobicContact CB-CG2 4.24Å; A278-I423 HydrophobicContact CB-CD1 3.64Å
279R76.6Confident59Low164 Ų16480.7 Ų80.762%0.61946%0.46SS*.Hα-helixtrans-83.2-21.8178.7-72-174-71.8-101.1-0.1115.4A275 A276 L277 F281A275-R279 WeakPolarHBondContact O-CG 3.2Å; A275-R279 PolarHBondContact O-N 3.19Å; A275-R279 PolarHBondContact O-NE 2.91Å; A276-R279 PolarHBondContact O-N 3.08Å; L277-R279 PolarHBondContact O-N 2.73Å; R279-F281 VanDerWaalsContact C-N 3.3Å; R279-F281 PolarHBondContact O-N 2.89Å
280S61.7Low56.4Low78 Ų7887.6 Ų87.655%0.54549%0.486SS..Hα-helixtrans-79.4-9.1-170.865.50000115A276 L277A276-S280 VanDerWaalsContact O-CB 3.23Å; A276-S280 WeakPolarHBondContact O-CB 3.41Å; A276-S280 PolarHBondContact O-N 3.04Å; A276-S280 PolarHBondContact O-OG 2.83Å; L277-S280 PolarHBondContact O-N 2.81Å; L277-S280 VanDerWaalsContact O-N 3.1Å; L277-S280 PolarHBondContact O-OG 3.09Å
281F53.9Low53.8Low57 Ų5791.3 Ų91.325%0.2552%0.524CS..SBendtrans-91.9133.8179.5-64.7-73.1000109.8L277 R279 S283L277-F281 HydrophobicContact CB-CE2 4.5Å; L277-F281 WeakPolarHBondContact O-CD2 3.29Å; L277-F281 WeakPolarHBondContact O-CE2 3.44Å; R279-F281 VanDerWaalsContact C-N 3.3Å; R279-F281 PolarHBondContact O-N 2.89Å; F281-S283 PolarHBondContact O-N 2.95Å
282P41.9Very low51.1Low92 Ų92100 Ų10060%0.59756%0.563SS**  trans-61.8117.5-173.423.5-31.3000110Q284P282-Q284 PolarHBondContact O-N 3.5Å
283S37.3Very low48.5Very low90 Ų90100.7 Ų100.763%0.62957%0.569SS**  trans-59.2111.4148.750.30000105.4F281 S285F281-S283 PolarHBondContact O-N 2.95Å; S283-S285 PolarHBondContact O-N 2.91Å
284Q34Very low46Very low187 Ų187102 Ų10287%0.87460%0.596SS**  trans-66.883.7167.1-74.1-170.11.800107.5P282 S286P282-Q284 PolarHBondContact O-N 3.5Å; Q284-S286 PolarHBondContact O-N 2.93Å
285S29Very low43.1Very low96 Ų96107.6 Ų107.667%0.67164%0.636SS**  trans-63.4116.915555.40000105.7S283 S287S283-S285 PolarHBondContact O-N 2.91Å; S285-S287 VanDerWaalsContact C-N 3.25Å; S285-S287 PolarHBondContact O-N 2.86Å
286S28Very low40.3Very low119 Ų119112.7 Ų112.783%0.83267%0.67SS**  trans-60.884.3173.643.30000110.3Q284 T288Q284-S286 PolarHBondContact O-N 2.93Å; S286-T288 PolarHBondContact O-N 2.85Å
287S25.4Very low37.8Very low106 Ų106117.5 Ų117.574%0.74169%0.689SS**  trans-78.1105166.4610000108.3S285S285-S287 VanDerWaalsContact C-N 3.25Å; S285-S287 PolarHBondContact O-N 2.86Å
288T25.1Very low35.5Very low122 Ų122124 Ų12475%0.74872%0.724SS**  trans-54.5136.7161.535.50000109.6S286 R290S286-T288 PolarHBondContact O-N 2.85Å; T288-R290 PolarHBondContact O-N 3.45Å; T288-R290 VanDerWaalsContact O-N 3.16Å
289P27.8Very low32.7Very low129 Ų129131.3 Ų131.384%0.83875%0.752SS**  trans-73.1111.8173.84.19.8000108.8G291P289-G291 PolarHBondContact O-N 3.17Å
290R25.9Very low30.3Very low246 Ų246129.5 Ų129.593%0.92876%0.761SS**  trans-64.1114.9161-86.7-178.4169.3179.2-3.3108.7T288T288-R290 PolarHBondContact O-N 3.45Å; T288-R290 VanDerWaalsContact O-N 3.16Å
291G25.1Very low28.5Very low78 Ų78132 Ų13280%0.80477%0.769SS**PPolyproline II helixtrans-95.6123.8164.500000110.1P289P289-G291 PolarHBondContact O-N 3.17Å
292H27Very low27.6Very low191 Ų191134.8 Ų134.888%0.88479%0.792SS**PPolyproline II helixtrans-62.9145.3178.5-96.1-93.2000113.9
293E24.9Very low26.9Very low196 Ų196136.5 Ų136.592%0.91680%0.803SS**PPolyproline II helixtrans-71.2146.3161.3-69.5-178.3148.700112
294G23.8Very low26.3Very low77 Ų77136.3 Ų136.379%0.79482%0.816SS**  trans163.486.8165.800000116.5
295S23.9Very low25.9Very low120 Ų120131.1 Ų131.184%0.83981%0.812SS**  trans18.3125.3145.6161.20000121.5
296S25.1Very low25.6Very low117 Ų117134.2 Ų134.282%0.81882%0.821SS**  -179.614311656.90000113.5
297N25.1Very low25.5Very low150 Ų150137.1 Ų137.180%0.80283%0.826SS**  trans-56.6141.8174.4-71.7-29000114.4
298D24.5Very low25.6Very low165 Ų165140.1 Ų140.188%0.88283%0.829SS**  174.2137.4117.4-90-22.7000112.1
299K21.6Very low25.7Very low177 Ų177144.3 Ų144.377%0.7784%0.837SS**  trans-88.8149.1167.3-91.6-169.2176.8-164.50108.8
300P25Very low25.5Very low127 Ų127145.8 Ų145.883%0.82583%0.832SS**  -148.2162.574.932.5-10.1000117.5
301D24Very low25.6Very low131 Ų131142 Ų14270%0.70183%0.83SS**  trans-74.6-173.2176.5-62.5-56.8000113.9
302P34.6Very low25.6Very low114 Ų114145.2 Ų145.274%0.7483%0.828SS**  -123.9-177.3-75.540.6-23.3000111.5
303P28Very low25.6Very low128 Ų128139.6 Ų139.683%0.83181%0.81SS**  -153.1150.39136.1-15.8000116.9
304G24.6Very low25.8Very low86 Ų86139 Ų13989%0.88781%0.81SS**  trans75.7103.4135.600000120
305G24.7Very low26.2Very low78 Ų78142.7 Ų142.780%0.80481%0.806SS**  trans164.889.4161.300000113.9
306N24.6Very low26.5Very low162 Ų162142 Ų14287%0.86679%0.793SS**  trans-60.5127.1178.7-79.9-18.8000113.6
307L25Very low26.8Very low179 Ų179147.6 Ų147.694%0.93780%0.796SS**  trans-159.388.8145.8-106.7135.9000109
308Q26.8Very low27Very low169 Ų169150.1 Ų150.179%0.7980%0.8SS**  trans-71.8126.3171.6-89.4174.6-25.800110.4
309K27.4Very low27.2Very low211 Ų211152.8 Ų152.892%0.91780%0.798SS**  trans-82.2111.6154.1-101.5176.3171.7177.90106.8
310E24.5Very low27.6Very low159 Ų159154.8 Ų154.874%0.74380%0.801SS**PPolyproline II helixtrans-85.5130.3170.7-76.5-177.915400110.5
311N26.6Very low27.7Very low166 Ų166155.7 Ų155.789%0.88880%0.804SS**PPolyproline II helixtrans-75.8121.2162.5-77.4-28.7000108.1S313N311-S313 PolarHBondContact O-N 3.31Å
312I26.4Very low27.7Very low146 Ų146153.6 Ų153.675%0.74981%0.813SS**PPolyproline II helixtrans-83116.6-179.9-62.4170.5000109.1D316I312-D316 HydrophobicContact CG2-CB 4.41Å
313S26.3Very low27.2Very low74 Ų74151.5 Ų151.552%0.51781%0.813SS.*PPolyproline II helixtrans-73.1145.5170.8165.10000110.9N311 E315 D316N311-S313 PolarHBondContact O-N 3.31Å; S313-E315 PolarHBondContact O-N 3.21Å; S313-D316 PolarHBondContact O-N 3.45Å
314M29.5Very low27.3Very low184 Ų184153.5 Ų153.591%0.90682%0.816SS**THydrogen-bonded Turntrans-7237.4178.1-159.2175.8-76.300112.9
315E32.2Very low27.3Very low154 Ų154153.6 Ų153.672%0.7281%0.809SS**THydrogen-bonded Turntrans-117-14.7167.5-73.1-163.6148.900112.6S313S313-E315 PolarHBondContact O-N 3.21Å
316D30.3Very low27.6Very low105 Ų105156.5 Ų156.556%0.56181%0.811SS**G310 helixtrans-83.5-10.6-179-79.4-34.1000114.7I312 S313 K318I312-D316 HydrophobicContact CG2-CB 4.41Å; S313-D316 PolarHBondContact O-N 3.45Å; D316-K318 VanDerWaalsContact C-N 3.32Å; D316-K318 PolarHBondContact O-N 3.25Å
317W31.3Very low27.5Very low234 Ų234154.6 Ų154.689%0.88681%0.808SS**G310 helixtrans-77.6-19176.9-141.7-5.1000113.1R319W317-R319 VanDerWaalsContact C-N 3.34Å; W317-R319 PolarHBondContact O-N 3.05Å
318K29.7Very low27.7Very low204 Ų204157.8 Ų157.889%0.88781%0.808SS**G310 helixtrans-82.4-2.6178.7-81.4-176176.6177.20114.6D316D316-K318 VanDerWaalsContact C-N 3.32Å; D316-K318 PolarHBondContact O-N 3.25Å
319R28.3Very low27.5Very low220 Ų220153 Ų15383%0.8380%0.804SS**G310 helixtrans-109.13-178.9-82.5-168.3-157.1-138.55116.3W317W317-R319 VanDerWaalsContact C-N 3.34Å; W317-R319 PolarHBondContact O-N 3.05Å
320R30.1Very low27.4Very low220 Ų220149.4 Ų149.483%0.8380%0.8SS**SBendtrans-126.564.1178.7-75.2-170.9-179.4-173.32.4112.8
321T26.7Very low27.4Very low146 Ų146147.6 Ų147.690%0.89680%0.8SS**  trans-174.773.4146.5130000107.4
322G24.2Very low27.3Very low86 Ų86147.6 Ų147.689%0.88780%0.798SS**  trans-88.7120.7163.100000108.3
323G24.7Very low27.2Very low71 Ų71148 Ų14873%0.73280%0.796SS**  trans-168.489.1173.800000108.1A325G323-A325 PolarHBondContact O-N 3.44Å
324D28.7Very low27.1Very low170 Ų170151.5 Ų151.591%0.90981%0.809SS**  trans-53.4117.6172.8-89.1-35.6000110.4
325A24.5Very low27Very low88 Ų88147.5 Ų147.573%0.72780%0.797SS**  trans-135.693.5160.400000107.6G323 C327G323-A325 PolarHBondContact O-N 3.44Å; A325-C327 PolarHBondContact O-N 3.25Å; A325-C327 VanDerWaalsContact O-N 3.09Å
326V30.8Very low26.7Very low139 Ų139151.9 Ų151.984%0.84281%0.808SS**  trans-60.8103.3164.7173.80000107.8
327C22.5Very low26.4Very low121 Ų121152.3 Ų152.382%0.81882%0.818SS**  trans-135.9110.9164.7-83.80000110.4A325 G329A325-C327 PolarHBondContact O-N 3.25Å; A325-C327 VanDerWaalsContact O-N 3.09Å; C327-G329 PolarHBondContact O-N 2.85Å
328R29.4Very low26.2Very low246 Ų246149 Ų14993%0.92882%0.819SS**  trans-24.7111.1165.5-68.2174.1173.7-169.4-3.5114
329G23.5Very low26Very low69 Ų69142.6 Ų142.671%0.71181%0.81SS**  trans-91.3112.8157.600000108.9C327 V331C327-G329 PolarHBondContact O-N 2.85Å; G329-V331 PolarHBondContact O-N 3.44Å; G329-V331 VanDerWaalsContact O-N 3.17Å
330T24.6Very low25.7Very low136 Ų136141.5 Ų141.583%0.83481%0.814SS**  trans-54.9110.2174.538.40000111.3
331V24.7Very low25.6Very low121 Ų121140 Ų14073%0.73382%0.816SS**  trans-67.9122.9162.7176.20000107G329 E333G329-V331 PolarHBondContact O-N 3.44Å; G329-V331 VanDerWaalsContact O-N 3.17Å; V331-E333 HydrophobicContact CG1-CG 4.24Å; V331-E333 PolarHBondContact O-N 3.23Å
332I25.4Very low25.6Very low166 Ų166138.2 Ų138.285%0.85181%0.81SS**  trans-76.9105.8163-64.5174.9000105.3
333E24.6Very low25.8Very low153 Ų153141.8 Ų141.872%0.71581%0.808SS**  trans-75.2159.9168.4-73.3-174.7149.400111.5V331V331-E333 HydrophobicContact CG1-CG 4.24Å; V331-E333 PolarHBondContact O-N 3.23Å
334D24.1Very low26Very low148 Ų148141.8 Ų141.879%0.79181%0.808SS**  trans108.3140.4158.8-63.4-19.1000118.7
335P27.4Very low26.1Very low101 Ų101142.4 Ų142.466%0.65681%0.806SS**  cis-141.7121.7-25.533.4-13.7000112.9
336W24.5Very low26.4Very low246 Ų246147.2 Ų147.293%0.93281%0.813SS**  trans-138.283.3160.9-73.464.2000108.3
337S24.7Very low26.4Very low113 Ų113148.7 Ų148.779%0.7981%0.811SS**  trans-169.3107.5155.6-178.10000110.5
338D26.6Very low26.6Very low166 Ų166151 Ų15189%0.88882%0.816SS**  trans-153.2129.5138.4-112.5-11.4000109.8
339G25.4Very low26.6Very low68 Ų68147.6 Ų147.670%0.70181%0.81SS**  trans69.4105.7156.900000118.9
340E23.7Very low26.8Very low197 Ų197154 Ų15492%0.92182%0.821SS**  179.6136.577.1-89.2-173.8167.500110.8
341H26.9Very low26.8Very low188 Ų188150.6 Ų150.687%0.8781%0.814SS**  trans-68.1136.2168-78.2-69.9000111
342S26.9Very low26.9Very low110 Ų110151.7 Ų151.777%0.76982%0.82SS**  trans-150.5100.6139.677.70000110.3
343D28.9Very low27.1Very low160 Ų160151.5 Ų151.586%0.85682%0.821SS**  trans26.5134.6142.6-55.7-21.4000121.8
344G28.5Very low27.1Very low71 Ų71151 Ų15173%0.73283%0.829SS**  trans131.478.313900000117
345E31.5Very low27.6Very low183 Ų183151.9 Ų151.986%0.85583%0.834SS**  trans35.7126.2137.5-57.7178176.200120.4
346E29.7Very low27.6Very low189 Ų189156.4 Ų156.488%0.88384%0.843SS**  -169.514288.3-93.1-177.3-178.700110.7
347E30.1Very low28.1Very low170 Ų170155.1 Ų155.179%0.79484%0.844SS**  trans-77.4145177.6-61.7179.1151.100111.1
348D26.9Very low28.2Very low171 Ų171156.8 Ų156.891%0.91484%0.843SS**  trans-124.3115.6159.2-101.4-28.4000109.6
349Q29.7Very low28.4Very low173 Ų173158.8 Ų158.881%0.80884%0.844SS**  trans-81.1141.6169.9-77.4177.8-2.100110.5
350E27.6Very low28.7Very low204 Ų204161.3 Ų161.395%0.95385%0.846SS**  trans-60.1138.2170.8-72.2-178.2138.300112.7
351G26.1Very low29.5Very low65 Ų65156.7 Ų156.767%0.6783%0.828SS**  trans-162.489.1172.400000114.2
352T26.2Very low30.7Very low143 Ų143154 Ų15488%0.87782%0.819SS**  trans38.6121148.532.60000122.7
353N28.4Very low32.4Very low163 Ų163151.7 Ų151.787%0.87279%0.794SS**  trans-27131.8157.2-99-24.3000117.2
354T25.3Very low34.4Very low141 Ų141148.7 Ų148.787%0.86577%0.773SS**  trans-152.7133.5134.836.80000112.9K356T354-K356 PolarHBondContact O-N 2.91Å
355N34.4Very low37Very low168 Ų168145.3 Ų145.390%0.89874%0.739SS**  trans-55.2120.3172.9-91.2-35.5000113.5
356K27.3Very low39.4Very low196 Ų196141.6 Ų141.685%0.85272%0.724SS**  trans-144.1113.8148-83.1-173.8-179.9168.40110.4T354 L358T354-K356 PolarHBondContact O-N 2.91Å; K356-L358 PolarHBondContact O-N 3.05Å; K356-L358 VanDerWaalsContact O-N 3.14Å
357K35.7Very low42.1Very low218 Ų218133.2 Ų133.295%0.94869%0.685SS**  trans-57.3110161-82.3177.4172.5177.50108.3
358L26.2Very low44.4Very low149 Ų149128.7 Ų128.778%0.7867%0.666SS**  trans-120.5132.1167.1-146.279.9000107.5K356 T360K356-L358 PolarHBondContact O-N 3.05Å; K356-L358 VanDerWaalsContact O-N 3.14Å; L358-T360 PolarHBondContact O-N 2.92Å
359F30.8Very low47.1Very low207 Ų207127.4 Ų127.491%0.90865%0.654SS**  trans-53103.5176.4-75.9-98.9000110.7L361F359-L361 PolarHBondContact O-N 3.11Å
360T31Very low49.8Very low122 Ų122119.4 Ų119.475%0.74862%0.616SS**  trans-70.9112167.120.60000108.3L358 D362L358-T360 PolarHBondContact O-N 2.92Å; T360-D362 PolarHBondContact O-N 3.45Å
361L41.8Very low52.4Low100 Ų100110.6 Ų110.652%0.52458%0.58SS.*  trans-56.4128.7160.4-102.481.6000107.7F359 Y363 F917F359-L361 PolarHBondContact O-N 3.11Å; L361-Y363 VanDerWaalsContact C-N 3.26Å; L361-Y363 HydrophobicContact CB-CD2 3.97Å; L361-Y363 HydrophobicContact CB-CE2 3.37Å; L361-Y363 HydrophobicContact CD2-CE2 4.36Å; L361-Y363 WeakPolarHBondContact CD2-OH 3.17Å; L361-Y363 HydrophobicContact CG-CE2 4.47Å; L361-Y363 WeakPolarHBondContact O-CD2 3.35Å; L361-Y363 PolarHBondContact O-N 3.03Å; L361-F917 HydrophobicContact CD2-CZ 4.42Å
362D51.2Low55.2Low130 Ų130108.5 Ų108.570%0.69555%0.554SS**  trans-68.579.7179.5-77.4-36.2000111T360 K364T360-D362 PolarHBondContact O-N 3.45Å; D362-K364 PolarHBondContact O-N 2.97Å
363Y63.2Low58Low63 Ų63102.6 Ų102.625%0.24752%0.518CS..  trans-77.36.7167.5-62.8-77.7000112.1L361 Q864 P891 F917L361-Y363 VanDerWaalsContact C-N 3.26Å; L361-Y363 HydrophobicContact CB-CD2 3.97Å; L361-Y363 HydrophobicContact CB-CE2 3.37Å; L361-Y363 HydrophobicContact CD2-CE2 4.36Å; L361-Y363 WeakPolarHBondContact CD2-OH 3.17Å; L361-Y363 HydrophobicContact CG-CE2 4.47Å; L361-Y363 WeakPolarHBondContact O-CD2 3.35Å; L361-Y363 PolarHBondContact O-N 3.03Å; Y363-Q864 PolarHBondContact O-NE2 3.23Å; Y363-P891 HydrophobicContact CD1-CG 4.04Å; Y363-P891 HydrophobicContact CD2-CG 3.9Å; Y363-P891 HydrophobicContact CE1-CG 3.52Å; Y363-P891 HydrophobicContact CE2-CG 3.34Å; Y363-P891 HydrophobicContact CG-CG 4.22Å; Y363-P891 WeakPolarHBondContact OH-CG 3.28Å; Y363-F917 HydrophobicContact CE1-CD2 4.47Å; Y363-F917 HydrophobicContact CE1-CG 4.45Å
364K70.8Confident60.6Low96 Ų96100.6 Ų100.642%0.41750%0.504SS..SBendtrans-99.1116.7-176.3-163.2176.4-175.6-179.60109.2D362 L366 E821 S842D362-K364 PolarHBondContact O-N 2.97Å; K364-L366 PolarHBondContact O-N 2.86Å; K364-E821 WeakPolarHBondContact CE-OE1 3.09Å; K364-E821 IonicContact NZ-OE1 2.78Å; K364-E821 PolarHBondContact NZ-OE1 2.8Å; K364-E821 IonicContact NZ-OE2 3.59Å; K364-E821 PolarHBondContact NZ-OE2 2.84Å; K364-S842 WeakPolarHBondContact CG-OG 3.36Å
365I82.4Confident63.4Low1 Ų195.2 Ų95.21%0.00547%0.469CS..PPolyproline II helixtrans-66.7121.2173.8-70.5172.7000108.6Y367 V841 Q864 F887 W927 L929I365-Y367 PolarHBondContact O-N 3Å; I365-V841 HydrophobicContact CB-CG1 3.8Å; I365-V841 HydrophobicContact CG2-CG1 4.3Å; I365-Q864 VanDerWaalsContact CB-OE1 3.24Å; I365-Q864 HydrophobicContact CD1-CB 3.9Å; I365-Q864 HydrophobicContact CD1-CG 4.13Å; I365-Q864 VanDerWaalsContact N-OE1 3.13Å; I365-F887 HydrophobicContact CD1-CB 3.73Å; I365-F887 HydrophobicContact CD1-CD1 3.88Å; I365-F887 HydrophobicContact CD1-CD2 3.61Å; I365-F887 HydrophobicContact CD1-CE1 4.34Å; I365-F887 HydrophobicContact CD1-CE2 4.13Å; I365-F887 HydrophobicContact CD1-CG 3.46Å; I365-F887 VanDerWaalsContact CD1-CG 3.46Å; I365-F887 HydrophobicContact CD1-CZ 4.46Å; I365-W927 HydrophobicContact CD1-CB 3.94Å; I365-W927 HydrophobicContact CD1-CE3 4.25Å; I365-W927 HydrophobicContact CG1-CB 3.78Å; I365-W927 HydrophobicContact CG1-CE3 4.27Å; I365-L929 HydrophobicContact CG2-CD1 3.77Å; I365-L929 HydrophobicContact CG2-CD2 3.95Å; I365-L929 HydrophobicContact CG2-CG 3.44Å; I365-L929 VanDerWaalsContact CG2-CG 3.44Å
366L83.1Confident65.6Low104 Ų10489 Ų8955%0.54544%0.436SS..PPolyproline II helixtrans-65.6131.2176.2-68.1171.4000110.3K364K364-L366 PolarHBondContact O-N 2.86Å
367Y85.3Confident68.1Low14 Ų1483.7 Ų83.76%0.05541%0.413CS..  trans-124.93.517862.6-100.4000113.2I365 H369 H370 V797 Y820 E821 P934I365-Y367 PolarHBondContact O-N 3Å; Y367-H369 PolarHBondContact O-N 2.75Å; Y367-H370 PolarHBondContact O-CD2 2.75Å; Y367-H370 VanDerWaalsContact O-CD2 3.3Å; Y367-H370 PolarHBondContact O-N 2.93Å; Y367-V797 HydrophobicContact CE2-CG2 4.32Å; Y367-Y820 AromaticContact CD1-CD1 3.83Å; Y367-Y820 HydrophobicContact CD1-CD1 3.83Å; Y367-Y820 HydrophobicContact CD1-CE1 4.39Å; Y367-Y820 HydrophobicContact CD1-CG 4.03Å; Y367-Y820 HydrophobicContact CD2-CD1 4.19Å; Y367-Y820 AromaticContact CD2-CD2 3.72Å; Y367-Y820 HydrophobicContact CD2-CD2 3.72Å; Y367-Y820 HydrophobicContact CD2-CE2 4.07Å; Y367-Y820 AromaticContact CD2-CG 3.77Å; Y367-Y820 HydrophobicContact CD2-CG 3.77Å; Y367-Y820 HydrophobicContact CE1-CD1 4.31Å; Y367-Y820 HydrophobicContact CE1-CG 4.17Å; Y367-Y820 HydrophobicContact CE2-CD2 4.04Å; Y367-Y820 AromaticContact CE2-CG 3.97Å; Y367-Y820 HydrophobicContact CE2-CG 3.97Å; Y367-Y820 AromaticContact CG-CD1 3.73Å; Y367-Y820 HydrophobicContact CG-CD1 3.73Å; Y367-Y820 HydrophobicContact CG-CD2 4.1Å; Y367-Y820 AromaticContact CG-CE1 3.97Å; Y367-Y820 HydrophobicContact CG-CE1 3.97Å; Y367-Y820 HydrophobicContact CG-CE2 4.3Å; Y367-Y820 AromaticContact CG-CG 3.8Å; Y367-Y820 HydrophobicContact CG-CG 3.8Å; Y367-E821 HydrophobicContact CE1-CG 3.81Å; Y367-E821 WeakPolarHBondContact CE1-OE1 3.49Å; Y367-E821 VanDerWaalsContact OH-CG 3.3Å; Y367-E821 WeakPolarHBondContact OH-CG 3.43Å; Y367-E821 PolarHBondContact OH-OE1 2.89Å; Y367-P934 WeakPolarHBondContact O-CB 3.36Å
368D79.2Confident69.8Low75 Ų7577.2 Ų77.240%0.40139%0.393SS..THydrogen-bonded Turntrans-59.3-10.6-171.2-58.9-38.3000115.9S373 K377D368-S373 VanDerWaalsContact O-CB 3.22Å; D368-S373 WeakPolarHBondContact O-CB 3.48Å; D368-S373 PolarHBondContact O-OG 3.34Å; D368-K377 VanDerWaalsContact O-CE 3.25Å; D368-K377 WeakPolarHBondContact O-CE 3.38Å; D368-K377 PolarHBondContact O-NZ 2.96Å
369H82.5Confident72.1Confident143 Ų14376.9 Ų76.966%0.66238%0.381SS*.THydrogen-bonded Turntrans-105.425.3-176.3-62.497.2000113.4Y367 P934Y367-H369 PolarHBondContact O-N 2.75Å; H369-P934 HydrophobicContact CB-CG 4.44Å
370H86.6Confident73.9Confident5 Ų572.8 Ų72.82%0.02339%0.386CS..SBendtrans-74161.7172.271.997.2000112.9Y367 L372 S373 C795 P934 R935Y367-H370 PolarHBondContact O-CD2 2.75Å; Y367-H370 VanDerWaalsContact O-CD2 3.3Å; Y367-H370 PolarHBondContact O-N 2.93Å; H370-L372 VanDerWaalsContact C-N 3.28Å; H370-L372 PolarHBondContact ND1-N 3.21Å; H370-L372 PolarHBondContact O-N 3.2Å; H370-S373 PolarHBondContact CE1-N 3.21Å; H370-S373 PolarHBondContact ND1-N 3.09Å; H370-S373 WeakPolarHBondContact O-CB 3.2Å; H370-S373 PolarHBondContact O-N 2.84Å; H370-S373 PolarHBondContact O-OG 2.98Å; H370-C795 PolarHBondContact CE1-SG 2.69Å; H370-P934 WeakPolarHBondContact CA-O 3.44Å; H370-P934 HydrophobicContact CB-CB 4.13Å; H370-R935 VanDerWaalsContact CB-O 3.27Å; H370-R935 WeakPolarHBondContact CB-O 3.18Å
371G82.3Confident75.7Confident19 Ų1972.6 Ų72.620%0.19638%0.38CS..THydrogen-bonded Turntrans-63-24-173.800000116.1H374 P936G371-H374 PolarHBondContact O-ND1 3.4Å; G371-P936 WeakPolarHBondContact CA-O 2.98Å; G371-P936 PolarHBondContact N-O 3Å
372L86.1Confident76.8Confident22 Ų2270.8 Ų70.812%0.11539%0.385CS..THydrogen-bonded Turntrans-98.55.3176.5-61.6179.8000113.2H370 H374 L375 A769 C795 P936H370-L372 VanDerWaalsContact C-N 3.28Å; H370-L372 PolarHBondContact ND1-N 3.21Å; H370-L372 PolarHBondContact O-N 3.2Å; L372-H374 PolarHBondContact O-N 3.01Å; L372-H374 VanDerWaalsContact O-N 3.16Å; L372-L375 HydrophobicContact CD2-CD1 4.47Å; L372-L375 WeakPolarHBondContact O-CB 3.01Å; L372-L375 PolarHBondContact O-N 2.67Å; L372-L375 VanDerWaalsContact O-N 3.09Å; L372-A769 WeakPolarHBondContact CD1-O 3.33Å; L372-C795 HydrophobicContact CB-CB 4.22Å; L372-C795 HydrophobicContact CD1-CB 3.8Å; L372-P936 HydrophobicContact CB-CG 4.29Å; L372-P936 HydrophobicContact CD1-CG 3.83Å; L372-P936 HydrophobicContact CG-CG 3.78Å
373S84.1Confident77.8Confident18 Ų1866.7 Ų66.713%0.12637%0.367CS..G310 helixtrans-63.6-22.8-175.760.10000113.6D368 H370 L375 L376 K377D368-S373 VanDerWaalsContact O-CB 3.22Å; D368-S373 WeakPolarHBondContact O-CB 3.48Å; D368-S373 PolarHBondContact O-OG 3.34Å; H370-S373 PolarHBondContact CE1-N 3.21Å; H370-S373 PolarHBondContact ND1-N 3.09Å; H370-S373 WeakPolarHBondContact O-CB 3.2Å; H370-S373 PolarHBondContact O-N 2.84Å; H370-S373 PolarHBondContact O-OG 2.98Å; S373-L375 PolarHBondContact O-N 2.87Å; S373-L376 PolarHBondContact O-N 3.18Å; S373-K377 WeakPolarHBondContact O-CG 3.49Å; S373-K377 PolarHBondContact O-N 2.94Å
374H83.6Confident78.2Confident122 Ų12268 Ų6857%0.56538%0.378SS*.G310 helixtrans-63.7-22175.670.6-86.4000113.5G371 L372 L376G371-H374 PolarHBondContact O-ND1 3.4Å; L372-H374 PolarHBondContact O-N 3.01Å; L372-H374 VanDerWaalsContact O-N 3.16Å; H374-L376 VanDerWaalsContact C-N 3.34Å
375L83.5Confident78.5Confident28 Ų2863.8 Ų63.815%0.14736%0.36CS..G310 helixtrans-80.8-17.8173.8-61.3177.2000112.3L372 S373 P385 A387 S388 L771L372-L375 HydrophobicContact CD2-CD1 4.47Å; L372-L375 WeakPolarHBondContact O-CB 3.01Å; L372-L375 PolarHBondContact O-N 2.67Å; L372-L375 VanDerWaalsContact O-N 3.09Å; S373-L375 PolarHBondContact O-N 2.87Å; L375-P385 VanDerWaalsContact O-CB 3.28Å; L375-P385 WeakPolarHBondContact O-CB 3.36Å; L375-P385 WeakPolarHBondContact O-CG 3.34Å; L375-A387 HydrophobicContact CB-CB 4.43Å; L375-A387 WeakPolarHBondContact O-CB 3.49Å; L375-S388 PolarHBondContact O-OG 3.05Å; L375-L771 HydrophobicContact CB-CD2 3.65Å; L375-L771 HydrophobicContact CD1-CB 4.15Å; L375-L771 HydrophobicContact CD1-CD2 4.16Å
376L81.9Confident78.1Confident37 Ų3766 Ų6619%0.19437%0.372CS..THydrogen-bonded Turntrans-99-31-178.9-65.3172.6000112.9S373 H374 S388 L771 N773 V797S373-L376 PolarHBondContact O-N 3.18Å; H374-L376 VanDerWaalsContact C-N 3.34Å; L376-S388 WeakPolarHBondContact CA-OG 3.41Å; L376-S388 PolarHBondContact O-OG 2.9Å; L376-L771 HydrophobicContact CD1-CD1 4.31Å; L376-L771 HydrophobicContact CD2-CD1 4.16Å; L376-L771 HydrophobicContact CD2-CD2 3.81Å; L376-L771 HydrophobicContact CG-CD1 4.35Å; L376-L771 HydrophobicContact CG-CD2 4.13Å; L376-N773 VanDerWaalsContact CD2-ND2 3.28Å; L376-N773 WeakPolarHBondContact CD2-ND2 3.34Å; L376-V797 HydrophobicContact CD1-CG1 4.12Å
377K78.8Confident77.5Confident84 Ų8461.1 Ų61.137%0.36535%0.347SS..SBendtrans-78.3140.9-175-72.2174.8-178.4171.50112D368 S373 R379 P385D368-K377 VanDerWaalsContact O-CE 3.25Å; D368-K377 WeakPolarHBondContact O-CE 3.38Å; D368-K377 PolarHBondContact O-NZ 2.96Å; S373-K377 WeakPolarHBondContact O-CG 3.49Å; S373-K377 PolarHBondContact O-N 2.94Å; K377-R379 PolarHBondContact O-N 3.02Å; K377-P385 VanDerWaalsContact O-CD 3.28Å; K377-P385 WeakPolarHBondContact O-CD 3.2Å; K377-P385 WeakPolarHBondContact O-CG 3.47Å
378P71.9Confident77Confident82 Ų8261.1 Ų61.153%0.53235%0.349SS..PPolyproline II helixtrans-51.3139.9169.5-2331.6000111.2S383 L384P378-S383 WeakPolarHBondContact CA-O 3.32Å; P378-L384 HydrophobicContact CG-CD2 4.19Å
379R73.4Confident77Confident142 Ų14259 Ų5954%0.53634%0.339SS..PPolyproline II helixtrans-67.3163.9173.3-70.8178.4177.2-176.60.5109.9K377 D381 G382 S383K377-R379 PolarHBondContact O-N 3.02Å; R379-D381 WeakPolarHBondContact CB-OD1 3.48Å; R379-D381 PolarHBondContact O-N 2.81Å; R379-G382 PolarHBondContact O-N 2.84Å; R379-S383 PolarHBondContact N-O 3.05Å
380A68.7Low76.7Confident121 Ų12155.8 Ų55.8100%133%0.331SS*.THydrogen-bonded Turntrans-59.2-19.8-179.100000113.8G382A380-G382 VanDerWaalsContact C-N 3.32Å
381D68.9Low76.4Confident119 Ų11961 Ų6164%0.63636%0.359SS*.THydrogen-bonded Turntrans-85.12.1175.160.98.9000113.8R379 S383R379-D381 WeakPolarHBondContact CB-OD1 3.48Å; R379-D381 PolarHBondContact O-N 2.81Å; D381-S383 VanDerWaalsContact C-N 3.26Å; D381-S383 VanDerWaalsContact CG-OG 3.27Å; D381-S383 PolarHBondContact O-N 3.04Å; D381-S383 VanDerWaalsContact OD1-CB 3.28Å; D381-S383 WeakPolarHBondContact OD1-CB 3.32Å; D381-S383 PolarHBondContact OD1-N 3.06Å; D381-S383 PolarHBondContact OD1-OG 2.65Å; D381-S383 PolarHBondContact OD2-OG 3.01Å
382G66.4Low76.2Confident61 Ų6162.1 Ų62.163%0.62936%0.363SS*.SBendtrans80.6-2.8-176.800000114.5R379 A380R379-G382 PolarHBondContact O-N 2.84Å; A380-G382 VanDerWaalsContact C-N 3.32Å
383S71.2Confident75.7Confident44 Ų4462 Ų6231%0.30836%0.364SS..PPolyproline II helixtrans-74.3141.3176.269.90000111.7P378 R379 D381P378-S383 WeakPolarHBondContact CA-O 3.32Å; R379-S383 PolarHBondContact N-O 3.05Å; D381-S383 VanDerWaalsContact C-N 3.26Å; D381-S383 VanDerWaalsContact CG-OG 3.27Å; D381-S383 PolarHBondContact O-N 3.04Å; D381-S383 VanDerWaalsContact OD1-CB 3.28Å; D381-S383 WeakPolarHBondContact OD1-CB 3.32Å; D381-S383 PolarHBondContact OD1-N 3.06Å; D381-S383 PolarHBondContact OD1-OG 2.65Å; D381-S383 PolarHBondContact OD2-OG 3.01Å
384L72.6Confident75Confident90 Ų9066.8 Ų66.847%0.47140%0.397SS..PPolyproline II helixtrans-74.1135.9171-72.6170.3000109.4P378P378-L384 HydrophobicContact CG-CD2 4.19Å
385P76.3Confident74.4Confident8 Ų866.2 Ų66.25%0.05240%0.402CS..PPolyproline II helixtrans-55.1150.2167.7-21.631.4000110.5L375 K377 A387 S388 S389L375-P385 VanDerWaalsContact O-CB 3.28Å; L375-P385 WeakPolarHBondContact O-CB 3.36Å; L375-P385 WeakPolarHBondContact O-CG 3.34Å; K377-P385 VanDerWaalsContact O-CD 3.28Å; K377-P385 WeakPolarHBondContact O-CD 3.2Å; K377-P385 WeakPolarHBondContact O-CG 3.47Å; P385-A387 HydrophobicContact CB-CB 4.41Å; P385-A387 PolarHBondContact O-N 2.83Å; P385-A387 VanDerWaalsContact O-N 3.08Å; P385-S388 CarbonylContact O-C 3.53Å; P385-S388 WeakPolarHBondContact O-CA 3.32Å; P385-S388 PolarHBondContact O-N 2.79Å; P385-S389 PolarHBondContact O-N 3.31Å; P385-S389 VanDerWaalsContact O-N 3.08Å
386L73.1Confident74.1Confident49 Ų4967.1 Ų67.126%0.25741%0.409SS..G310 helixtrans-50.4-38.6176.6-119.981.4000112.5S388 S389 P393 H633 Y656 I658L386-S388 PolarHBondContact O-N 2.84Å; L386-S389 PolarHBondContact O-N 2.99Å; L386-P393 HydrophobicContact CD1-CG 4.47Å; L386-P393 HydrophobicContact CD2-CG 3.77Å; L386-P393 HydrophobicContact CG-CG 4.13Å; L386-H633 WeakPolarHBondContact CD2-ND1 3.24Å; L386-Y656 HydrophobicContact CB-CD1 3.9Å; L386-Y656 HydrophobicContact CB-CE1 4.1Å; L386-Y656 HydrophobicContact CD2-CD1 4.23Å; L386-Y656 HydrophobicContact CD2-CG 4.16Å; L386-I658 HydrophobicContact CD2-CD1 4Å; L386-I658 HydrophobicContact CG-CD1 4.19Å
387A70.4Confident74.3Confident1 Ų167.8 Ų67.81%0.00842%0.415CS..G310 helixtrans-57.6-21175.600000115.6L375 P385 C748 S750 Y751 L771 N773L375-A387 HydrophobicContact CB-CB 4.43Å; L375-A387 WeakPolarHBondContact O-CB 3.49Å; P385-A387 HydrophobicContact CB-CB 4.41Å; P385-A387 PolarHBondContact O-N 2.83Å; P385-A387 VanDerWaalsContact O-N 3.08Å; A387-C748 VanDerWaalsContact CA-SG 3.52Å; A387-C748 HydrophobicContact CB-CB 4.45Å; A387-C748 WeakPolarHBondContact CB-SG 3.29Å; A387-S750 PolarHBondContact O-OG 2.77Å; A387-Y751 WeakPolarHBondContact O-CE2 3.42Å; A387-L771 HydrophobicContact CB-CD2 4.06Å; A387-N773 PolarHBondContact O-ND2 2.9Å; A387-N773 VanDerWaalsContact O-ND2 3.14Å; A387-N773 PolarHBondContact O-OD1 2.86Å
388S74.7Confident74.8Confident14 Ų1472.1 Ų72.110%0.09844%0.437CS..G310 helixtrans-124.65.5-175-55.80000112.2L375 L376 P385 L386 P390 Y751L375-S388 PolarHBondContact O-OG 3.05Å; L376-S388 WeakPolarHBondContact CA-OG 3.41Å; L376-S388 PolarHBondContact O-OG 2.9Å; P385-S388 CarbonylContact O-C 3.53Å; P385-S388 WeakPolarHBondContact O-CA 3.32Å; P385-S388 PolarHBondContact O-N 2.79Å; L386-S388 PolarHBondContact O-N 2.84Å; S388-P390 WeakPolarHBondContact O-CD 3.39Å; S388-Y751 VanDerWaalsContact C-OH 3.26Å; S388-Y751 PolarHBondContact O-OH 2.79Å; S388-Y751 VanDerWaalsContact O-OH 3.05Å
389S80.3Confident75.7Confident29 Ų2970.1 Ų70.120%0.20342%0.424CS..  trans-82.2120.7177.5-179.60000109.5P385 L386 N391 H659 Y751P385-S389 PolarHBondContact O-N 3.31Å; P385-S389 VanDerWaalsContact O-N 3.08Å; L386-S389 PolarHBondContact O-N 2.99Å; S389-N391 WeakPolarHBondContact CB-O 3.42Å; S389-N391 PolarHBondContact O-N 2.92Å; S389-N391 PolarHBondContact OG-N 2.79Å; S389-N391 PolarHBondContact OG-O 3.41Å; S389-H659 PolarHBondContact O-NE2 3.04Å; S389-Y751 WeakPolarHBondContact O-CE2 3.49Å
390P76.8Confident76.8Confident76 Ų7666 Ų6649%0.49441%0.412SS..SBendtrans-69.1-16.1173.830.1-35000112.3S388 H659S388-P390 WeakPolarHBondContact O-CD 3.39Å; P390-H659 PolarHBondContact O-CE1 2.57Å
391N80.3Confident78.1Confident114 Ų11464 Ų6461%0.6139%0.388SS*.SBendtrans-104.2143176.2-64.1-41.8000110.3S389S389-N391 WeakPolarHBondContact CB-O 3.42Å; S389-N391 PolarHBondContact O-N 2.92Å; S389-N391 PolarHBondContact OG-N 2.79Å; S389-N391 PolarHBondContact OG-O 3.41Å
392P76.5Confident79.4Confident44 Ų4459.2 Ų59.229%0.28636%0.362SS..  trans-65.2161.4173.728.7-34.8000111.5S394 Y635 C636P392-S394 PolarHBondContact O-N 3.2Å; P392-Y635 HydrophobicContact CB-CD2 3.84Å; P392-Y635 HydrophobicContact CB-CE2 4.14Å; P392-C636 VanDerWaalsContact CB-SG 3.5Å
393P77.3Confident80.8Confident20 Ų2061.5 Ų61.513%0.1336%0.357CS..  trans-54.9127.6174.9-21.532.1000111.1L386 Y635 I658L386-P393 HydrophobicContact CD1-CG 4.47Å; L386-P393 HydrophobicContact CD2-CG 3.77Å; L386-P393 HydrophobicContact CG-CG 4.13Å; P393-Y635 HydrophobicContact CB-CE1 4.48Å; P393-Y635 HydrophobicContact CG-CD1 4.25Å; P393-Y635 HydrophobicContact CG-CD2 4.45Å; P393-Y635 HydrophobicContact CG-CE1 4.14Å; P393-Y635 HydrophobicContact CG-CE2 4.33Å; P393-Y635 HydrophobicContact CG-CG 4.41Å; P393-I658 HydrophobicContact CG-CD1 4.31Å
394S68.9Low82Confident118 Ų11863.7 Ų63.783%0.82536%0.362SS*.  trans-88.8-16.2-176.856.70000114.4P392P392-S394 PolarHBondContact O-N 3.2Å
395V70.5Confident83.2Confident110 Ų11059.6 Ų59.667%0.66734%0.34SS*.  trans-120114.6-174.5-175.20000109.7
396T77.1Confident84.1Confident47 Ų4759.9 Ų59.929%0.28834%0.341SS..PPolyproline II helixtrans-94.3140.5162.953.50000108.9E398 V587T396-E398 PolarHBondContact O-N 3.05Å; T396-V587 HydrophobicContact CG2-CG1 3.94Å
397P85.4Confident85.2Confident51 Ų5162.9 Ų62.933%0.33136%0.358SS..PPolyproline II helixtrans-55.4138.6174.8-21.730.9000111.8V587 Y610P397-V587 WeakPolarHBondContact O-CG2 3.49Å; P397-Y610 VanDerWaalsContact CD-CE2 3.44Å; P397-Y610 HydrophobicContact CG-CD2 3.9Å; P397-Y610 HydrophobicContact CG-CE2 3.38Å
398E89.1Confident86.4Confident175 Ų17570.8 Ų70.882%0.81839%0.387SS*.PPolyproline II helixtrans-85.7146.9170.6-68-169.2162.800110.4T396T396-E398 PolarHBondContact O-N 3.05Å
399P92.1Very high87.4Confident40 Ų4071.5 Ų71.526%0.2639%0.39SS..PPolyproline II helixtrans-59.6148.1172.8-22.634.1000111.6L541 C564P399-L541 HydrophobicContact CG-CD2 3.93Å; P399-C564 VanDerWaalsContact CD-SG 3.59Å; P399-C564 HydrophobicContact CG-CB 4.29Å; P399-C564 WeakPolarHBondContact CG-SG 3.38Å
400L95.6Very high88.2Confident54 Ų5474.8 Ų74.828%0.28341%0.411SS..PPolyproline II helixtrans-72.6153.3174.8-62.9177.4000111.2Q404 E405 C516 S539L400-Q404 HydrophobicContact CB-CB 4.21Å; L400-E405 HydrophobicContact CB-CG 3.88Å; L400-E405 HydrophobicContact CD1-CG 4.41Å; L400-C516 PolarHBondContact O-SG 3.39Å; L400-C516 VanDerWaalsContact O-SG 3.32Å; L400-S539 PolarHBondContact N-OG 2.77Å
401T96.6Very high89.1Confident81 Ų8176.3 Ų76.350%0.49741%0.411SS..PPolyproline II helixtrans-72.4157.3169.563.60000110.7Q403 Q404 E405T401-Q403 VanDerWaalsContact C-N 3.26Å; T401-Q403 PolarHBondContact O-N 3.22Å; T401-Q404 PolarHBondContact O-N 3.1Å; T401-Q404 VanDerWaalsContact O-N 3.12Å; T401-Q404 VanDerWaalsContact OG1-CD 3.29Å; T401-Q404 WeakPolarHBondContact OG1-CG 3.5Å; T401-Q404 PolarHBondContact OG1-N 3.01Å; T401-Q404 PolarHBondContact OG1-OE1 3.26Å; T401-E405 PolarHBondContact O-N 2.9Å; T401-E405 VanDerWaalsContact O-N 3.08Å
402L95.6Very high89.9Confident18 Ų1870.9 Ų70.99%0.09438%0.382CS..Hα-helixtrans-55.4-43.1178.6178.761.8000111.8Q404 E405 L406 A492 E493 L515 C516L402-Q404 VanDerWaalsContact C-N 3.33Å; L402-Q404 PolarHBondContact O-N 3.13Å; L402-E405 PolarHBondContact O-N 3.11Å; L402-E405 VanDerWaalsContact O-N 3.14Å; L402-L406 HydrophobicContact CD1-CD1 4.13Å; L402-L406 HydrophobicContact CD1-CD2 4.25Å; L402-L406 HydrophobicContact CD1-CG 3.92Å; L402-L406 HydrophobicContact CD2-CD1 4.27Å; L402-L406 HydrophobicContact CG-CD1 3.84Å; L402-L406 HydrophobicContact CG-CG 4.09Å; L402-L406 VanDerWaalsContact O-CG 3.29Å; L402-L406 WeakPolarHBondContact O-CG 3.46Å; L402-L406 PolarHBondContact O-N 2.87Å; L402-A492 HydrophobicContact CD1-CB 3.71Å; L402-A492 HydrophobicContact CD2-CB 4.34Å; L402-E493 HydrophobicContact CB-CG 4.06Å; L402-E493 WeakPolarHBondContact CB-OE1 3.27Å; L402-E493 HydrophobicContact CD2-CG 3.69Å; L402-E493 HydrophobicContact CG-CG 4.38Å; L402-L515 HydrophobicContact CD1-CB 4.09Å; L402-L515 HydrophobicContact CD1-CD1 4.33Å; L402-C516 VanDerWaalsContact CA-SG 3.6Å; L402-C516 HydrophobicContact CB-CB 4.35Å; L402-C516 PolarHBondContact N-SG 2.95Å
403Q95.4Very high90.8Very high109 Ų10972.6 Ų72.651%0.50939%0.386SS..Hα-helixtrans-59.7-44179.9-172.460.654.600111.8T401 E405 L406 D407T401-Q403 VanDerWaalsContact C-N 3.26Å; T401-Q403 PolarHBondContact O-N 3.22Å; Q403-E405 VanDerWaalsContact C-N 3.32Å; Q403-E405 PolarHBondContact O-N 3.27Å; Q403-L406 PolarHBondContact O-N 3.49Å; Q403-D407 PolarHBondContact NE2-OD1 2.84Å; Q403-D407 WeakPolarHBondContact O-CB 3.17Å; Q403-D407 PolarHBondContact O-N 2.84Å
404Q97Very high91.7Very high90 Ų9078 Ų7842%0.42141%0.411SS..Hα-helixtrans-63.6-37.4176.9-71.1166-42.800112.1L400 T401 L402 R408L400-Q404 HydrophobicContact CB-CB 4.21Å; T401-Q404 PolarHBondContact O-N 3.1Å; T401-Q404 VanDerWaalsContact O-N 3.12Å; T401-Q404 VanDerWaalsContact OG1-CD 3.29Å; T401-Q404 WeakPolarHBondContact OG1-CG 3.5Å; T401-Q404 PolarHBondContact OG1-N 3.01Å; T401-Q404 PolarHBondContact OG1-OE1 3.26Å; L402-Q404 VanDerWaalsContact C-N 3.33Å; L402-Q404 PolarHBondContact O-N 3.13Å; Q404-R408 VanDerWaalsContact O-CG 3.27Å; Q404-R408 WeakPolarHBondContact O-CG 3.33Å; Q404-R408 PolarHBondContact O-N 2.99Å
405E97.3Very high93Very high3 Ų373.8 Ų73.81%0.01438%0.379CS..Hα-helixtrans-70.9-37.5177-69.8-72-149.400112.8L400 T401 L402 Q403 R408 D409 L515 R538 S539L400-E405 HydrophobicContact CB-CG 3.88Å; L400-E405 HydrophobicContact CD1-CG 4.41Å; T401-E405 PolarHBondContact O-N 2.9Å; T401-E405 VanDerWaalsContact O-N 3.08Å; L402-E405 PolarHBondContact O-N 3.11Å; L402-E405 VanDerWaalsContact O-N 3.14Å; Q403-E405 VanDerWaalsContact C-N 3.32Å; Q403-E405 PolarHBondContact O-N 3.27Å; E405-R408 PolarHBondContact O-N 3.38Å; E405-R408 IonicContact OE2-NH1 3.53Å; E405-D409 WeakPolarHBondContact O-CB 3.35Å; E405-D409 PolarHBondContact O-N 2.94Å; E405-D409 VanDerWaalsContact O-N 3.12Å; E405-L515 HydrophobicContact CB-CD1 4.13Å; E405-R538 IonicContact OE1-NH1 3.15Å; E405-R538 IonicContact OE2-CZ 3.95Å; E405-R538 IonicContact OE2-NH1 3.32Å; E405-R538 PolarHBondContact OE2-NH1 2.93Å; E405-S539 WeakPolarHBondContact OE1-CB 3.08Å; E405-S539 PolarHBondContact OE1-OG 3.07Å
406L96.1Very high94.1Very high14 Ų1469.2 Ų69.27%0.07335%0.354CS..Hα-helixtrans-68-37175.2-67.8178.2000112L402 Q403 R408 D409 A412 Q413 A416 L490 L515L402-L406 HydrophobicContact CD1-CD1 4.13Å; L402-L406 HydrophobicContact CD1-CD2 4.25Å; L402-L406 HydrophobicContact CD1-CG 3.92Å; L402-L406 HydrophobicContact CD2-CD1 4.27Å; L402-L406 HydrophobicContact CG-CD1 3.84Å; L402-L406 HydrophobicContact CG-CG 4.09Å; L402-L406 VanDerWaalsContact O-CG 3.29Å; L402-L406 WeakPolarHBondContact O-CG 3.46Å; L402-L406 PolarHBondContact O-N 2.87Å; Q403-L406 PolarHBondContact O-N 3.49Å; L406-R408 PolarHBondContact O-N 2.96Å; L406-D409 CarbonylContact O-C 3.59Å; L406-D409 PolarHBondContact O-N 3.05Å; L406-D409 VanDerWaalsContact O-O 3.12Å; L406-A412 HydrophobicContact CD2-CB 3.81Å; L406-Q413 HydrophobicContact CB-CB 4.5Å; L406-A416 HydrophobicContact CD1-CB 4.14Å; L406-A416 HydrophobicContact CD2-CB 3.98Å; L406-L490 HydrophobicContact CD2-CD2 4.43Å; L406-L515 HydrophobicContact CD2-CD1 4.44Å
407D96.5Very high94.8Very high113 Ų11370.5 Ų70.560%0.60436%0.364SS*.Hα-helixtrans-65.7-26.4176.5-67.7-19.1000112.2Q403Q403-D407 PolarHBondContact NE2-OD1 2.84Å; Q403-D407 WeakPolarHBondContact O-CB 3.17Å; Q403-D407 PolarHBondContact O-N 2.84Å
408R95.6Very high95.1Very high167 Ų16769.7 Ų69.763%0.6336%0.36SS*.Hα-helixtrans-89.5-22.2179-68.3174.175.5-1637.5113.8Q404 E405 L406Q404-R408 VanDerWaalsContact O-CG 3.27Å; Q404-R408 WeakPolarHBondContact O-CG 3.33Å; Q404-R408 PolarHBondContact O-N 2.99Å; E405-R408 PolarHBondContact O-N 3.38Å; E405-R408 IonicContact OE2-NH1 3.53Å; L406-R408 PolarHBondContact O-N 2.96Å
409D96.2Very high95.1Very high28 Ų2863 Ų6315%0.1533%0.329CS..  trans-122.898.2-174.9-174.1-18.7000110.7E405 L406 E411 A412 Q413 R538E405-D409 WeakPolarHBondContact O-CB 3.35Å; E405-D409 PolarHBondContact O-N 2.94Å; E405-D409 VanDerWaalsContact O-N 3.12Å; L406-D409 CarbonylContact O-C 3.59Å; L406-D409 PolarHBondContact O-N 3.05Å; L406-D409 VanDerWaalsContact O-O 3.12Å; D409-E411 PolarHBondContact O-N 3.12Å; D409-E411 WeakPolarHBondContact OD1-CB 3.35Å; D409-E411 PolarHBondContact OD1-N 2.96Å; D409-A412 HydrophobicContact CB-CB 3.82Å; D409-A412 PolarHBondContact O-N 2.92Å; D409-A412 PolarHBondContact OD1-N 3.23Å; D409-Q413 PolarHBondContact O-N 2.7Å; D409-R538 IonicContact OD2-CZ 3.6Å; D409-R538 IonicContact OD2-NH2 2.71Å; D409-R538 PolarHBondContact OD2-NH2 2.88Å
410P95.8Very high94.9Very high99 Ų9964.3 Ų64.364%0.64333%0.334SS*.Hα-helixtrans-65-27.8-178.126.9-34.1000112.8M414P410-M414 WeakPolarHBondContact O-CB 3.31Å; P410-M414 WeakPolarHBondContact O-CG 3.32Å; P410-M414 PolarHBondContact O-N 3.39Å
411E96.1Very high94.7Very high108 Ų10861.8 Ų61.851%0.50532%0.321SS..Hα-helixtrans-69.4-46.5176.4-174.6-179.1172.600110.3D409 Q413 M414 L415 I513D409-E411 PolarHBondContact O-N 3.12Å; D409-E411 WeakPolarHBondContact OD1-CB 3.35Å; D409-E411 PolarHBondContact OD1-N 2.96Å; E411-Q413 VanDerWaalsContact C-N 3.32Å; E411-Q413 PolarHBondContact O-N 2.89Å; E411-M414 WeakPolarHBondContact O-CB 3.45Å; E411-M414 PolarHBondContact O-N 2.93Å; E411-L415 HydrophobicContact CG-CD1 4.43Å; E411-L415 WeakPolarHBondContact O-CG 3.36Å; E411-L415 PolarHBondContact O-N 3.04Å; E411-I513 HydrophobicContact CB-CD1 4.39Å; E411-I513 HydrophobicContact CG-CD1 4.13Å
412A96.5Very high94.7Very high0 Ų057.9 Ų57.90%030%0.297CS..Hα-helixtrans-59.9-42.6174.600000111.7L406 D409 M414 L415 A416 L490 I513 L515L406-A412 HydrophobicContact CD2-CB 3.81Å; D409-A412 HydrophobicContact CB-CB 3.82Å; D409-A412 PolarHBondContact O-N 2.92Å; D409-A412 PolarHBondContact OD1-N 3.23Å; A412-M414 PolarHBondContact O-N 3.07Å; A412-L415 PolarHBondContact O-N 2.84Å; A412-A416 VanDerWaalsContact O-CB 3.31Å; A412-A416 WeakPolarHBondContact O-CB 3.49Å; A412-A416 PolarHBondContact O-N 2.61Å; A412-L490 HydrophobicContact CB-CD1 4.37Å; A412-I513 HydrophobicContact CB-CD1 4.24Å; A412-I513 HydrophobicContact CB-CG2 4.2Å; A412-L515 HydrophobicContact CB-CD1 4Å
413Q96.4Very high94.7Very high79 Ų7957.3 Ų57.337%0.36929%0.294SS..Hα-helixtrans-63-41176.1-179.562.3100112.3L406 D409 E411 A416 S417L406-Q413 HydrophobicContact CB-CB 4.5Å; D409-Q413 PolarHBondContact O-N 2.7Å; E411-Q413 VanDerWaalsContact C-N 3.32Å; E411-Q413 PolarHBondContact O-N 2.89Å; Q413-A416 PolarHBondContact O-N 3.28Å; Q413-S417 WeakPolarHBondContact O-CB 3.09Å; Q413-S417 PolarHBondContact O-N 3.32Å; Q413-S417 PolarHBondContact O-OG 2.89Å
414M95.8Very high94.7Very high134 Ų13452.1 Ų52.166%0.6627%0.27SS*.Hα-helixtrans-61.9-46.7175-77.2-64.7-62.700111.4P410 E411 A412 S417 S418P410-M414 WeakPolarHBondContact O-CB 3.31Å; P410-M414 WeakPolarHBondContact O-CG 3.32Å; P410-M414 PolarHBondContact O-N 3.39Å; E411-M414 WeakPolarHBondContact O-CB 3.45Å; E411-M414 PolarHBondContact O-N 2.93Å; A412-M414 PolarHBondContact O-N 3.07Å; M414-S417 PolarHBondContact O-N 2.93Å; M414-S417 PolarHBondContact O-OG 2.85Å; M414-S418 PolarHBondContact O-N 2.91Å
415L95.9Very high94.4Very high29 Ų2948.7 Ų48.715%0.15225%0.253CS..Hα-helixtrans-61.8-44.9175.4-71.4169.1000111.8E411 A412 S417 S418 T465 V467 L490 I513E411-L415 HydrophobicContact CG-CD1 4.43Å; E411-L415 WeakPolarHBondContact O-CG 3.36Å; E411-L415 PolarHBondContact O-N 3.04Å; A412-L415 PolarHBondContact O-N 2.84Å; L415-S417 PolarHBondContact O-N 2.76Å; L415-S418 WeakPolarHBondContact O-CB 3.14Å; L415-S418 PolarHBondContact O-N 2.87Å; L415-S418 VanDerWaalsContact O-N 3.07Å; L415-T465 HydrophobicContact CD2-CG2 4.01Å; L415-V467 HydrophobicContact CB-CG2 4.31Å; L415-V467 HydrophobicContact CD2-CG2 4.45Å; L415-V467 WeakPolarHBondContact O-CG2 3.46Å; L415-L490 HydrophobicContact CB-CB 3.85Å; L415-L490 HydrophobicContact CB-CD2 4.33Å; L415-L490 HydrophobicContact CD1-CB 4.1Å; L415-I513 HydrophobicContact CD1-CD1 4.17Å
416A94.1Very high93.9Very high15 Ų1552.6 Ų52.612%0.12427%0.267CS..Hα-helixtrans-59.6-35.417800000112.4L406 A412 Q413 R445 L490L406-A416 HydrophobicContact CD1-CB 4.14Å; L406-A416 HydrophobicContact CD2-CB 3.98Å; A412-A416 VanDerWaalsContact O-CB 3.31Å; A412-A416 WeakPolarHBondContact O-CB 3.49Å; A412-A416 PolarHBondContact O-N 2.61Å; Q413-A416 PolarHBondContact O-N 3.28Å; A416-R445 VanDerWaalsContact O-CZ 3.3Å; A416-R445 PolarHBondContact O-NH1 2.8Å; A416-R445 PolarHBondContact O-NH2 2.96Å; A416-L490 HydrophobicContact CB-CD2 3.67Å
417S91.8Very high93.5Very high74 Ų7452 Ų5252%0.51726%0.264SS..Hα-helixtrans-83.5-14177.275.90000114.4Q413 M414 L415Q413-S417 WeakPolarHBondContact O-CB 3.09Å; Q413-S417 PolarHBondContact O-N 3.32Å; Q413-S417 PolarHBondContact O-OG 2.89Å; M414-S417 PolarHBondContact O-N 2.93Å; M414-S417 PolarHBondContact O-OG 2.85Å; L415-S417 PolarHBondContact O-N 2.76Å
418S91.4Very high93.1Very high34 Ų3448.6 Ų48.624%0.23825%0.246CC..  trans-67.7135.8-177.8-174.10000111.7M414 L415 L420 R445M414-S418 PolarHBondContact O-N 2.91Å; L415-S418 WeakPolarHBondContact O-CB 3.14Å; L415-S418 PolarHBondContact O-N 2.87Å; L415-S418 VanDerWaalsContact O-N 3.07Å; S418-L420 PolarHBondContact OG-N 3.04Å; S418-R445 PolarHBondContact O-NH1 2.98Å
419I88.9Confident92.9Very high34 Ų3440.7 Ų40.717%0.17422%0.216CC..  trans-12116.4176.557.6163.2000111.5L241 A275 A278 I423L241-I419 WeakPolarHBondContact CD1-O 3.4Å; A275-I419 HydrophobicContact CB-CD1 3.47Å; A275-I419 VanDerWaalsContact CB-CD1 3.47Å; A278-I419 HydrophobicContact CB-CG2 4.24Å; I419-I423 HydrophobicContact CB-CD1 4.25Å
420L87.9Confident92.7Very high67 Ų6742.8 Ų42.835%0.35122%0.222SC..  trans-77.8150-177.2-64.7176.9000111.9S418 Q443S418-L420 PolarHBondContact OG-N 3.04Å; L420-Q443 VanDerWaalsContact CB-OE1 3.23Å
421G92.4Very high92.3Very high1 Ų142.4 Ų42.41%0.0122%0.215CC..EExtended strand (participates in β ladder)trans84.9-144.8174.800000113.9V240 L241 S242 Q443V240-G421 PolarHBondContact O-N 2.78Å; L241-G421 VanDerWaalsContact CA-O 3.26Å; L241-G421 WeakPolarHBondContact CA-O 3.35Å; S242-G421 PolarHBondContact N-O 2.96Å; S242-G421 VanDerWaalsContact N-O 3.11Å; G421-Q443 CarbonylContact C-O 3.57Å; G421-Q443 VanDerWaalsContact CA-O 3.27Å; G421-Q443 WeakPolarHBondContact CA-O 3.46Å
422C95.4Very high91.6Very high0 Ų037.8 Ų37.80%020%0.196CC..EExtended strand (participates in β ladder)trans-89122.8179.2-168.90000111.4L236 V259 L424 Q443 A444 R445L236-C422 HydrophobicContact CD1-CB 4.3Å; L236-C422 VanDerWaalsContact CD1-SG 3.53Å; V259-C422 HydrophobicContact CG1-CB 4.38Å; V259-C422 HydrophobicContact CG2-CB 3.74Å; C422-L424 HydrophobicContact CB-CD1 4.07Å; C422-L424 WeakPolarHBondContact SG-CD1 3.07Å; C422-Q443 PolarHBondContact N-O 2.81Å; C422-A444 HydrophobicContact CB-CB 4.29Å; C422-A444 CarbonylContact O-C 3.57Å; C422-A444 WeakPolarHBondContact O-CA 3.41Å; C422-A444 WeakPolarHBondContact O-CB 3.3Å; C422-R445 PolarHBondContact O-N 2.8Å
423I96.4Very high90.6Very high6 Ų643.4 Ų43.43%0.03122%0.22CC..EExtended strand (participates in β ladder)trans-98.4119174.2-55.3179.2000108.4L241 S242 L243 L244 A278 I419 R445L241-I423 HydrophobicContact CD1-CD1 3.63Å; L241-I423 HydrophobicContact CD1-CG1 4.12Å; S242-I423 PolarHBondContact O-N 2.85Å; L243-I423 CarbonylContact C-O 3.37Å; L243-I423 WeakPolarHBondContact CA-O 2.92Å; L243-I423 HydrophobicContact CD1-CB 3.86Å; L243-I423 HydrophobicContact CD1-CG2 3.67Å; L244-I423 PolarHBondContact N-O 3.14Å; A278-I423 HydrophobicContact CB-CD1 3.64Å; I419-I423 HydrophobicContact CB-CD1 4.25Å; I423-R445 CarbonylContact C-O 3.57Å; I423-R445 WeakPolarHBondContact CA-O 3.39Å; I423-R445 HydrophobicContact CG1-CB 4.33Å
424L96Very high89.5Confident0 Ų040.7 Ų40.70%021%0.214CC..EExtended strand (participates in β ladder)trans-113.7123.4173.6-65.787.9000109L244 V257 C422 F429 V436 A444 R445 L446 E447 N449L244-L424 HydrophobicContact CB-CG 4.37Å; L244-L424 WeakPolarHBondContact O-CA 3.03Å; V257-L424 HydrophobicContact CB-CD2 4.12Å; V257-L424 HydrophobicContact CG1-CD2 4.15Å; V257-L424 HydrophobicContact CG2-CD2 3.86Å; C422-L424 HydrophobicContact CB-CD1 4.07Å; C422-L424 WeakPolarHBondContact SG-CD1 3.07Å; L424-F429 HydrophobicContact CD2-CE2 4.04Å; L424-F429 HydrophobicContact CD2-CZ 3.56Å; L424-V436 HydrophobicContact CD2-CG2 3.81Å; L424-A444 HydrophobicContact CD1-CB 4.46Å; L424-R445 PolarHBondContact N-O 2.83Å; L424-L446 HydrophobicContact CB-CD2 3.75Å; L424-L446 HydrophobicContact CD1-CD2 3.59Å; L424-L446 HydrophobicContact CD2-CD2 4.24Å; L424-L446 HydrophobicContact CG-CD2 4.06Å; L424-L446 WeakPolarHBondContact O-CA 3.46Å; L424-E447 PolarHBondContact O-N 3.36Å; L424-N449 PolarHBondContact O-ND2 3.43Å; L424-N449 PolarHBondContact O-OD1 3.5Å
425R89.6Confident89.3Confident17 Ų1734.4 Ų34.46%0.06418%0.183CC..EExtended strand (participates in β ladder)trans-137135.5-176.6-175.9166.1-176.3-179.9-0.3113L244 D245 S246 C427 E447 E448 N449L244-R425 PolarHBondContact O-N 3.3Å; D245-R425 CarbonylContact C-O 3.42Å; D245-R425 VanDerWaalsContact CA-O 3.31Å; D245-R425 WeakPolarHBondContact CA-O 3.46Å; S246-R425 PolarHBondContact N-O 3.02Å; R425-C427 PolarHBondContact O-N 2.72Å; R425-C427 PolarHBondContact O-SG 3.11Å; R425-E447 VanDerWaalsContact CA-O 3.22Å; R425-E447 WeakPolarHBondContact CA-O 3.48Å; R425-E447 HydrophobicContact CG-CB 4.26Å; R425-E447 IonicContact NH1-OE2 2.8Å; R425-E448 IonicContact CZ-OE1 3.98Å; R425-E448 IonicContact CZ-OE2 2.75Å; R425-E448 IonicContact NE-OE2 3.52Å; R425-E448 PolarHBondContact NE-OE2 2.89Å; R425-E448 IonicContact NH2-OE1 2.87Å; R425-E448 PolarHBondContact NH2-OE1 2.82Å; R425-E448 VanDerWaalsContact NH2-OE1 3.11Å; R425-E448 IonicContact NH2-OE2 3.83Å; R425-E448 PolarHBondContact NH2-OE2 2.73Å; R425-N449 WeakPolarHBondContact CA-OD1 3.14Å; R425-N449 PolarHBondContact N-OD1 3.34Å
426R87.1Confident89.4Confident85 Ų8533.2 Ų33.232%0.32118%0.177SC..SBendtrans5324.1-180-65.3177.4-66.8-93.3-0.6113.5D245 S246 E447 E448 N449D245-R426 IonicContact OD1-CZ 2.78Å; D245-R426 VanDerWaalsContact OD1-CZ 3.32Å; D245-R426 IonicContact OD1-NE 2.84Å; D245-R426 PolarHBondContact OD1-NE 3.17Å; D245-R426 VanDerWaalsContact OD1-NE 3.15Å; D245-R426 IonicContact OD1-NH2 2.66Å; D245-R426 PolarHBondContact OD1-NH2 2.98Å; D245-R426 IonicContact OD2-CZ 2.68Å; D245-R426 IonicContact OD2-NH2 3.08Å; D245-R426 PolarHBondContact OD2-NH2 2.82Å; S246-R426 WeakPolarHBondContact CA-O 3.08Å; R426-E447 PolarHBondContact N-O 2.79Å; R426-E447 VanDerWaalsContact N-O 3.11Å; R426-E448 VanDerWaalsContact CA-O 3.29Å; R426-E448 WeakPolarHBondContact CA-O 3.41Å; R426-E448 HydrophobicContact CG-CB 4.09Å; R426-E448 IonicContact NH1-OE2 3.65Å; R426-N449 PolarHBondContact N-OD1 3.27Å
427C87.6Confident89.5Confident1 Ų134.5 Ų34.51%0.00718%0.181CC..  trans-80.7150.7177.2-62.80000110.1C247 R425 F429 N449 L450C247-C427 CarbonylContact O-C 3.4Å; C247-C427 WeakPolarHBondContact O-CA 3.5Å; C247-C427 WeakPolarHBondContact O-CB 3.15Å; R425-C427 PolarHBondContact O-N 2.72Å; R425-C427 PolarHBondContact O-SG 3.11Å; C427-F429 HydrophobicContact CB-CD2 4.28Å; C427-F429 HydrophobicContact CB-CE2 3.65Å; C427-F429 HydrophobicContact CB-CZ 4.38Å; C427-N449 VanDerWaalsContact CB-OD1 3.28Å; C427-N449 WeakPolarHBondContact CB-OD1 3.38Å; C427-N449 PolarHBondContact N-OD1 3.16Å; C427-N449 WeakPolarHBondContact O-CA 3.39Å; C427-N449 WeakPolarHBondContact O-CB 3.24Å; C427-L450 PolarHBondContact O-N 3.26Å
428L87.6Confident89.7Confident43 Ų4331 Ų3123%0.22516%0.156CC..EExtended strand (participates in β ladder)trans-109.4123.8175.1176.559.1000108.9C247 D248 F249 R430 L450C247-L428 PolarHBondContact O-N 3.28Å; D248-L428 CarbonylContact C-O 3.45Å; D248-L428 WeakPolarHBondContact CA-O 3.28Å; F249-L428 PolarHBondContact N-O 3.38Å; L428-R430 HydrophobicContact CG-CG 4.28Å; L428-L450 HydrophobicContact CD1-CB 4Å; L428-L450 HydrophobicContact CD1-CD2 3.66Å; L428-L450 HydrophobicContact CD1-CG 3.75Å
429F93Very high90Very high0 Ų029.8 Ų29.80%015%0.147CC..EExtended strand (participates in β ladder)trans-119.1119.2172.5-66.2-95.5000108.8F249 V257 L424 C427 V436 L450 F451 R452 L454F249-F429 HydrophobicContact CB-CD1 3.59Å; F249-F429 HydrophobicContact CB-CE1 3.88Å; F249-F429 HydrophobicContact CB-CG 4.31Å; F249-F429 HydrophobicContact CD1-CE1 4.18Å; F249-F429 AromaticContact CD2-CD1 3.92Å; F249-F429 HydrophobicContact CD2-CD1 3.92Å; F249-F429 AromaticContact CD2-CE1 3.42Å; F249-F429 HydrophobicContact CD2-CE1 3.42Å; F249-F429 VanDerWaalsContact CD2-CE1 3.42Å; F249-F429 HydrophobicContact CD2-CE2 4.32Å; F249-F429 AromaticContact CD2-CZ 3.64Å; F249-F429 HydrophobicContact CD2-CZ 3.64Å; F249-F429 AromaticContact CE2-CE1 3.98Å; F249-F429 HydrophobicContact CE2-CE1 3.98Å; F249-F429 AromaticContact CE2-CZ 3.89Å; F249-F429 HydrophobicContact CE2-CZ 3.89Å; F249-F429 AromaticContact CG-CD1 3.83Å; F249-F429 HydrophobicContact CG-CD1 3.83Å; F249-F429 AromaticContact CG-CE1 3.55Å; F249-F429 HydrophobicContact CG-CE1 3.55Å; F249-F429 HydrophobicContact CG-CZ 4.25Å; F249-F429 WeakPolarHBondContact O-CA 3.24Å; V257-F429 HydrophobicContact CB-CE1 4.5Å; V257-F429 HydrophobicContact CG2-CE1 3.89Å; V257-F429 HydrophobicContact CG2-CZ 3.9Å; L424-F429 HydrophobicContact CD2-CE2 4.04Å; L424-F429 HydrophobicContact CD2-CZ 3.56Å; C427-F429 HydrophobicContact CB-CD2 4.28Å; C427-F429 HydrophobicContact CB-CE2 3.65Å; C427-F429 HydrophobicContact CB-CZ 4.38Å; F429-V436 HydrophobicContact CE1-CG2 4.17Å; F429-V436 HydrophobicContact CE2-CG2 4.25Å; F429-V436 HydrophobicContact CZ-CG2 3.8Å; F429-L450 PolarHBondContact N-O 2.96Å; F429-F451 HydrophobicContact CB-CD1 3.64Å; F429-F451 HydrophobicContact CB-CE1 4.08Å; F429-F451 HydrophobicContact CB-CG 4.46Å; F429-F451 HydrophobicContact CD1-CE1 4.34Å; F429-F451 AromaticContact CD2-CD1 3.72Å; F429-F451 HydrophobicContact CD2-CD1 3.72Å; F429-F451 AromaticContact CD2-CE1 3.31Å; F429-F451 HydrophobicContact CD2-CE1 3.31Å; F429-F451 AromaticContact CD2-CZ 3.88Å; F429-F451 HydrophobicContact CD2-CZ 3.88Å; F429-F451 AromaticContact CE2-CE1 3.74Å; F429-F451 HydrophobicContact CE2-CE1 3.74Å; F429-F451 HydrophobicContact CE2-CZ 4.03Å; F429-F451 AromaticContact CG-CD1 3.77Å; F429-F451 HydrophobicContact CG-CD1 3.77Å; F429-F451 AromaticContact CG-CE1 3.66Å; F429-F451 HydrophobicContact CG-CE1 3.66Å; F429-F451 HydrophobicContact CZ-CE1 4.42Å; F429-F451 WeakPolarHBondContact O-CA 3.37Å; F429-R452 PolarHBondContact O-N 2.89Å; F429-L454 HydrophobicContact CB-CD1 3.77Å
430R91.4Very high90.3Very high73 Ų7330.8 Ų30.828%0.27515%0.153SC..EExtended strand (participates in β ladder)trans-150159.1-17761.8178.3166.3171.3-2.4115D248 F249 S250 L428 G432 R452D248-R430 IonicContact OD1-NE 3.7Å; D248-R430 IonicContact OD2-CZ 2.7Å; D248-R430 IonicContact OD2-NE 3.1Å; D248-R430 IonicContact OD2-NH2 3.56Å; D248-R430 PolarHBondContact OD2-NH2 3.01Å; F249-R430 PolarHBondContact O-N 2.64Å; S250-R430 WeakPolarHBondContact CA-O 3.31Å; L428-R430 HydrophobicContact CG-CG 4.28Å; R430-G432 PolarHBondContact O-N 3.07Å; R430-R452 WeakPolarHBondContact CA-O 3.4Å
431D85.9Confident90.7Very high91 Ų9133.6 Ų33.649%0.48716%0.16SC..EExtended strand (participates in β ladder)trans53.853.4165.8-51.3-46.5000113.1G251 S252 R452G251-D431 PolarHBondContact N-O 3.21Å; S252-D431 PolarHBondContact N-O 2.74Å; D431-R452 PolarHBondContact N-O 2.98Å
432G81.8Confident90.9Very high11 Ų1133.5 Ų33.511%0.11316%0.159CC..EExtended strand (participates in β ladder)trans-162.9178.3-174.600000114.3S252 R430 L454 N455S252-G432 VanDerWaalsContact O-CA 3.28Å; S252-G432 WeakPolarHBondContact O-CA 3.5Å; R430-G432 PolarHBondContact O-N 3.07Å; G432-L454 CarbonylContact O-C 3.56Å; G432-L454 VanDerWaalsContact O-CA 3.22Å; G432-L454 WeakPolarHBondContact O-CA 3.41Å; G432-N455 PolarHBondContact O-N 3.13Å
433K76.5Confident90.9Very high117 Ų11735.7 Ų35.751%0.50917%0.17SC..EExtended strand (participates in β ladder)trans-82.7-38.8178.3-89177.3-171.1153.60112.5D253 N455 Y456D253-K433 HydrophobicContact CB-CB 4.01Å; D253-K433 HydrophobicContact CB-CD 3.76Å; D253-K433 HydrophobicContact CB-CG 3.99Å; D253-K433 VanDerWaalsContact CG-CE 3.48Å; D253-K433 WeakPolarHBondContact O-CB 3.41Å; D253-K433 WeakPolarHBondContact OD1-CG 3.31Å; D253-K433 VanDerWaalsContact OD2-CD 3.31Å; D253-K433 WeakPolarHBondContact OD2-CD 3.49Å; D253-K433 WeakPolarHBondContact OD2-CE 3.39Å; D253-K433 IonicContact OD2-NZ 3.92Å; D253-K433 PolarHBondContact OD2-NZ 3.33Å; K433-N455 WeakPolarHBondContact O-CB 3.37Å; K433-N455 PolarHBondContact O-N 3.24Å; K433-Y456 PolarHBondContact O-N 2.87Å
434G73.1Confident91Very high22 Ų2235.6 Ų35.623%0.22717%0.169CC..EExtended strand (participates in β ladder)trans-122.7141.7-174.800000113.4
435G92.1Very high91Very high2 Ų236.7 Ų36.72%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-95.5-95163.500000111.2S256 V257 Y456 A457S256-G435 WeakPolarHBondContact CA-O 3.24Å; S256-G435 WeakPolarHBondContact CB-O 3.48Å; V257-G435 PolarHBondContact N-O 3.42Å; G435-Y456 PolarHBondContact N-O 2.71Å; G435-A457 CarbonylContact C-O 3.47Å; G435-A457 VanDerWaalsContact CA-O 3.28Å; G435-A457 WeakPolarHBondContact CA-O 3.48Å
436V96.5Very high91.4Very high4 Ų435.9 Ų35.92%0.02417%0.171CC..EExtended strand (participates in β ladder)trans-111.1126.3178-179.40000110.6V257 L424 F429 L438 L446 F451 A457 V458 R459V257-V436 HydrophobicContact CB-CG2 4.36Å; V257-V436 CarbonylContact O-C 3.51Å; V257-V436 WeakPolarHBondContact O-CA 3.33Å; L424-V436 HydrophobicContact CD2-CG2 3.81Å; F429-V436 HydrophobicContact CE1-CG2 4.17Å; F429-V436 HydrophobicContact CE2-CG2 4.25Å; F429-V436 HydrophobicContact CZ-CG2 3.8Å; V436-L438 HydrophobicContact CG1-CD1 3.74Å; V436-L438 HydrophobicContact CG1-CG 4.48Å; V436-L446 HydrophobicContact CG1-CD2 4.37Å; V436-L446 HydrophobicContact CG2-CD1 4.45Å; V436-L446 HydrophobicContact CG2-CD2 4.11Å; V436-F451 HydrophobicContact CG2-CE1 3.9Å; V436-F451 HydrophobicContact CG2-CZ 4.06Å; V436-A457 PolarHBondContact N-O 2.96Å; V436-V458 HydrophobicContact CB-CG2 4.46Å; V436-V458 CarbonylContact O-C 3.52Å; V436-V458 WeakPolarHBondContact O-CA 3.37Å; V436-R459 PolarHBondContact O-N 2.94Å
437H96.2Very high91.8Very high43 Ų4332.7 Ų32.720%0.19916%0.159CC..EExtended strand (participates in β ladder)trans-111.4125.3173.9-172.737.8000111.1V257 T258 V259 R459V257-H437 PolarHBondContact O-N 2.95Å; T258-H437 CarbonylContact C-O 3.54Å; T258-H437 WeakPolarHBondContact CA-O 3.23Å; V259-H437 PolarHBondContact N-O 3.3Å; H437-R459 CarbonylContact C-O 3.5Å; H437-R459 WeakPolarHBondContact CA-O 3.26Å; H437-R459 VanDerWaalsContact CE1-CZ 3.45Å; H437-R459 PolarHBondContact CE1-NE 2.84Å; H437-R459 PolarHBondContact CE1-NH2 3.18Å; H437-R459 PolarHBondContact ND1-NE 3.44Å; H437-R459 PolarHBondContact ND1-O 3.18Å; H437-R459 PolarHBondContact NE2-NH2 3.04Å
438L97Very high92Very high0 Ų035.8 Ų35.80%017%0.174CC..EExtended strand (participates in β ladder)trans-115133.8171.7-61.194.5000111.1V259 V436 A444 V458 R459 I461 I466V259-L438 HydrophobicContact CB-CG 4.35Å; V259-L438 WeakPolarHBondContact O-CA 3.14Å; V436-L438 HydrophobicContact CG1-CD1 3.74Å; V436-L438 HydrophobicContact CG1-CG 4.48Å; L438-A444 HydrophobicContact CD2-CB 3.62Å; L438-A444 HydrophobicContact CG-CB 4.31Å; L438-V458 HydrophobicContact CD1-CG1 4.13Å; L438-R459 PolarHBondContact N-O 2.92Å; L438-I461 PolarHBondContact O-N 3.3Å; L438-I466 HydrophobicContact CD1-CD1 3.79Å; L438-I466 HydrophobicContact CD1-CG1 4.47Å; L438-I466 HydrophobicContact CD2-CD1 4.14Å
439S96.7Very high92.3Very high8 Ų834 Ų346%0.05616%0.164CC..EExtended strand (participates in β ladder)trans-146.2165.6178.459.90000112.2V259 E260 G261 Y441 G442 I461V259-S439 PolarHBondContact O-N 3.33Å; E260-S439 WeakPolarHBondContact CA-O 3.49Å; E260-S439 WeakPolarHBondContact CG-OG 3.39Å; G261-S439 PolarHBondContact N-O 2.95Å; S439-Y441 PolarHBondContact O-N 2.87Å; S439-G442 WeakPolarHBondContact O-CA 3.49Å; S439-G442 PolarHBondContact O-N 3.22Å; S439-I461 WeakPolarHBondContact CA-O 3.45Å
440N95.8Very high92.2Very high55 Ų5537.1 Ų37.129%0.29418%0.181SC..THydrogen-bonded Turntrans44.661.4173-64.8-31.8000114.2E260 G261 G442 Q462E260-N440 HydrophobicContact CG-CB 3.95Å; E260-N440 PolarHBondContact OE1-ND2 2.88Å; G261-N440 CarbonylContact C-O 3.54Å; G261-N440 VanDerWaalsContact C-O 3.24Å; G261-N440 WeakPolarHBondContact CA-O 3.5Å; G261-N440 PolarHBondContact N-O 2.9Å; N440-G442 PolarHBondContact O-N 2.92Å; N440-Q462 WeakPolarHBondContact CA-O 3.34Å; N440-Q462 PolarHBondContact N-O 3.22Å; N440-Q462 PolarHBondContact OD1-NE2 2.9Å; N440-Q462 PolarHBondContact OD1-OE1 3.04Å
441Y96.3Very high92.5Very high126 Ų12633.7 Ų33.749%0.49417%0.168SC..THydrogen-bonded Turntrans64.712-178.1-53.2-92.5000115.7S439 Q462 H463S439-Y441 PolarHBondContact O-N 2.87Å; Y441-Q462 PolarHBondContact N-O 3.24Å; Y441-H463 HydrophobicContact CD1-CB 3.53Å; Y441-H463 HydrophobicContact CE1-CB 3.4Å; Y441-H463 AromaticContact CE1-CG 3.77Å; Y441-H463 HydrophobicContact CE2-CB 4.39Å; Y441-H463 HydrophobicContact CG-CB 4.11Å; Y441-H463 AromaticContact CZ-CG 3.89Å
442G96.2Very high92.9Very high0 Ų034.8 Ų34.80%017%0.165CC..  trans-57.1141.6174.900000112.1G261 S439 N440 S464 T465G261-G442 WeakPolarHBondContact O-CA 3.33Å; S439-G442 WeakPolarHBondContact O-CA 3.49Å; S439-G442 PolarHBondContact O-N 3.22Å; N440-G442 PolarHBondContact O-N 2.92Å; G442-S464 CarbonylContact O-C 3.58Å; G442-S464 VanDerWaalsContact O-CA 3.32Å; G442-S464 WeakPolarHBondContact O-CA 3.27Å; G442-S464 WeakPolarHBondContact O-CB 3.23Å; G442-T465 PolarHBondContact O-N 2.87Å
443Q96.9Very high93.4Very high46 Ų4635.8 Ų35.822%0.21517%0.17CC..EExtended strand (participates in β ladder)trans-121.7131.4-179.6-58.6-168.9-7.200111V259 P263 L420 G421 C422 T465V259-Q443 WeakPolarHBondContact CG1-O 3.45Å; P263-Q443 HydrophobicContact CG-CB 4.36Å; P263-Q443 HydrophobicContact CG-CG 3.96Å; L420-Q443 VanDerWaalsContact CB-OE1 3.23Å; G421-Q443 CarbonylContact C-O 3.57Å; G421-Q443 VanDerWaalsContact CA-O 3.27Å; G421-Q443 WeakPolarHBondContact CA-O 3.46Å; C422-Q443 PolarHBondContact N-O 2.81Å; Q443-T465 VanDerWaalsContact CA-O 3.32Å; Q443-T465 WeakPolarHBondContact CA-O 3.23Å
444A96.9Very high94.2Very high3 Ų330.3 Ų30.33%0.02515%0.146CC..EExtended strand (participates in β ladder)trans-142.6154.7172.200000112.7V259 C422 L424 L438 L446 T465 I466 V467V259-A444 HydrophobicContact CG2-CB 4.37Å; C422-A444 HydrophobicContact CB-CB 4.29Å; C422-A444 CarbonylContact O-C 3.57Å; C422-A444 WeakPolarHBondContact O-CA 3.41Å; C422-A444 WeakPolarHBondContact O-CB 3.3Å; L424-A444 HydrophobicContact CD1-CB 4.46Å; L438-A444 HydrophobicContact CD2-CB 3.62Å; L438-A444 HydrophobicContact CG-CB 4.31Å; A444-L446 HydrophobicContact CB-CD2 4.49Å; A444-T465 PolarHBondContact N-O 2.77Å; A444-T465 VanDerWaalsContact N-O 3.15Å; A444-I466 HydrophobicContact CB-CD1 3.99Å; A444-I466 WeakPolarHBondContact O-CD1 3.39Å; A444-V467 PolarHBondContact O-N 2.92Å
445R97.2Very high95.1Very high24 Ų2431.7 Ų31.79%0.09115%0.149CC..EExtended strand (participates in β ladder)trans-121.3119.3172.2-174.5-175.8-175.186.9-0.1109.5A416 S418 C422 I423 L424 E447 V467A416-R445 VanDerWaalsContact O-CZ 3.3Å; A416-R445 PolarHBondContact O-NH1 2.8Å; A416-R445 PolarHBondContact O-NH2 2.96Å; S418-R445 PolarHBondContact O-NH1 2.98Å; C422-R445 PolarHBondContact O-N 2.8Å; I423-R445 CarbonylContact C-O 3.57Å; I423-R445 WeakPolarHBondContact CA-O 3.39Å; I423-R445 HydrophobicContact CG1-CB 4.33Å; L424-R445 PolarHBondContact N-O 2.83Å; R445-E447 HydrophobicContact CG-CG 4.11Å; R445-E447 IonicContact CZ-OE1 3.14Å; R445-E447 VanDerWaalsContact NE-CD 3.31Å; R445-E447 IonicContact NE-OE1 3.69Å; R445-E447 PolarHBondContact NE-OE1 3.19Å; R445-E447 IonicContact NH2-OE1 2.66Å; R445-E447 PolarHBondContact NH2-OE1 2.97Å; R445-V467 CarbonylContact C-O 3.57Å; R445-V467 VanDerWaalsContact CA-O 3.23Å; R445-V467 WeakPolarHBondContact CA-O 3.27Å; R445-V467 HydrophobicContact CB-CB 4.43Å; R445-V467 HydrophobicContact CG-CB 4.18Å; R445-V467 HydrophobicContact CG-CG1 4.26Å
446L97.4Very high95.1Very high0 Ų035 Ų350%016%0.161CC..EExtended strand (participates in β ladder)trans-110.1115.1180-48.6-177.4000108.9L424 V436 A444 N449 F451 V458 I466 V467 M468 L469 N471L424-L446 HydrophobicContact CB-CD2 3.75Å; L424-L446 HydrophobicContact CD1-CD2 3.59Å; L424-L446 HydrophobicContact CD2-CD2 4.24Å; L424-L446 HydrophobicContact CG-CD2 4.06Å; L424-L446 WeakPolarHBondContact O-CA 3.46Å; V436-L446 HydrophobicContact CG1-CD2 4.37Å; V436-L446 HydrophobicContact CG2-CD1 4.45Å; V436-L446 HydrophobicContact CG2-CD2 4.11Å; A444-L446 HydrophobicContact CB-CD2 4.49Å; L446-N449 WeakPolarHBondContact CA-ND2 3.44Å; L446-F451 HydrophobicContact CD1-CE2 4.42Å; L446-F451 HydrophobicContact CD1-CZ 4.03Å; L446-V458 HydrophobicContact CD1-CG1 4.19Å; L446-V458 HydrophobicContact CD1-CG2 3.57Å; L446-I466 HydrophobicContact CD1-CD1 3.77Å; L446-I466 HydrophobicContact CD1-CG1 4.41Å; L446-I466 HydrophobicContact CD2-CD1 4.42Å; L446-I466 HydrophobicContact CG-CD1 3.69Å; L446-V467 PolarHBondContact N-O 2.84Å; L446-M468 HydrophobicContact CB-CB 4.48Å; L446-M468 HydrophobicContact CB-CG 4.16Å; L446-M468 HydrophobicContact CD1-CG 4.3Å; L446-M468 HydrophobicContact CD1-SD 4.3Å; L446-M468 CarbonylContact O-C 3.54Å; L446-M468 WeakPolarHBondContact O-CA 3.43Å; L446-L469 PolarHBondContact O-N 2.96Å; L446-N471 PolarHBondContact O-ND2 2.87Å
447E94.9Very high95.1Very high17 Ų1734.9 Ų34.98%0.07916%0.16CC..EExtended strand (participates in β ladder)trans-125.6133.5176.9-60.3-169.3146.400113L424 R425 R426 R445 N449 L469 R470L424-E447 PolarHBondContact O-N 3.36Å; R425-E447 VanDerWaalsContact CA-O 3.22Å; R425-E447 WeakPolarHBondContact CA-O 3.48Å; R425-E447 HydrophobicContact CG-CB 4.26Å; R425-E447 IonicContact NH1-OE2 2.8Å; R426-E447 PolarHBondContact N-O 2.79Å; R426-E447 VanDerWaalsContact N-O 3.11Å; R445-E447 HydrophobicContact CG-CG 4.11Å; R445-E447 IonicContact CZ-OE1 3.14Å; R445-E447 VanDerWaalsContact NE-CD 3.31Å; R445-E447 IonicContact NE-OE1 3.69Å; R445-E447 PolarHBondContact NE-OE1 3.19Å; R445-E447 IonicContact NH2-OE1 2.66Å; R445-E447 PolarHBondContact NH2-OE1 2.97Å; E447-N449 PolarHBondContact N-ND2 2.82Å; E447-N449 PolarHBondContact O-N 3.2Å; E447-N449 PolarHBondContact O-ND2 3.19Å; E447-L469 VanDerWaalsContact CA-O 3.32Å; E447-L469 WeakPolarHBondContact CA-O 3.31Å; E447-L469 HydrophobicContact CG-CB 4.42Å; E447-R470 IonicContact OE1-NH2 3.72Å
448E93.3Very high95.1Very high67 Ų6732.8 Ų32.831%0.31315%0.151SC..SBendtrans56.526.5170.9-58165.9-177.300113.4R425 R426 L469 R470 N471R425-E448 IonicContact CZ-OE1 3.98Å; R425-E448 IonicContact CZ-OE2 2.75Å; R425-E448 IonicContact NE-OE2 3.52Å; R425-E448 PolarHBondContact NE-OE2 2.89Å; R425-E448 IonicContact NH2-OE1 2.87Å; R425-E448 PolarHBondContact NH2-OE1 2.82Å; R425-E448 VanDerWaalsContact NH2-OE1 3.11Å; R425-E448 IonicContact NH2-OE2 3.83Å; R425-E448 PolarHBondContact NH2-OE2 2.73Å; R426-E448 VanDerWaalsContact CA-O 3.29Å; R426-E448 WeakPolarHBondContact CA-O 3.41Å; R426-E448 HydrophobicContact CG-CB 4.09Å; R426-E448 IonicContact NH1-OE2 3.65Å; E448-L469 PolarHBondContact N-O 3.06Å; E448-R470 VanDerWaalsContact CA-O 3.29Å; E448-R470 WeakPolarHBondContact CA-O 3.37Å; E448-R470 PolarHBondContact N-O 3.44Å; E448-N471 PolarHBondContact N-OD1 3.41Å
449N92.4Very high95.1Very high4 Ų437 Ų372%0.02117%0.166CC..  trans-88.9155.3178.5-54-74.1000111.3L424 R425 R426 C427 L446 E447 F451 N471 E472L424-N449 PolarHBondContact O-ND2 3.43Å; L424-N449 PolarHBondContact O-OD1 3.5Å; R425-N449 WeakPolarHBondContact CA-OD1 3.14Å; R425-N449 PolarHBondContact N-OD1 3.34Å; R426-N449 PolarHBondContact N-OD1 3.27Å; C427-N449 VanDerWaalsContact CB-OD1 3.28Å; C427-N449 WeakPolarHBondContact CB-OD1 3.38Å; C427-N449 PolarHBondContact N-OD1 3.16Å; C427-N449 WeakPolarHBondContact O-CA 3.39Å; C427-N449 WeakPolarHBondContact O-CB 3.24Å; L446-N449 WeakPolarHBondContact CA-ND2 3.44Å; E447-N449 PolarHBondContact N-ND2 2.82Å; E447-N449 PolarHBondContact O-N 3.2Å; E447-N449 PolarHBondContact O-ND2 3.19Å; N449-F451 HydrophobicContact CB-CD2 4.34Å; N449-F451 HydrophobicContact CB-CE2 3.68Å; N449-F451 HydrophobicContact CB-CZ 4.12Å; N449-N471 VanDerWaalsContact CB-OD1 3.24Å; N449-N471 WeakPolarHBondContact CB-OD1 2.84Å; N449-N471 PolarHBondContact N-OD1 3.14Å; N449-N471 PolarHBondContact ND2-OD1 2.98Å; N449-N471 WeakPolarHBondContact O-CA 3.33Å; N449-N471 WeakPolarHBondContact O-CB 3.26Å; N449-E472 PolarHBondContact O-N 3.07Å
450L92.7Very high95.1Very high67 Ų6736.6 Ų36.635%0.35116%0.164SC..EExtended strand (participates in β ladder)trans-113.1119.2173.2173.357.9000109.7C427 L428 F429 R452 E472C427-L450 PolarHBondContact O-N 3.26Å; L428-L450 HydrophobicContact CD1-CB 4Å; L428-L450 HydrophobicContact CD1-CD2 3.66Å; L428-L450 HydrophobicContact CD1-CG 3.75Å; F429-L450 PolarHBondContact N-O 2.96Å; L450-R452 HydrophobicContact CD1-CB 4.42Å; L450-E472 HydrophobicContact CD1-CB 3.68Å; L450-E472 HydrophobicContact CD1-CG 3.58Å
451F96Very high95.2Very high0 Ų034.7 Ų34.70%015%0.154CC..EExtended strand (participates in β ladder)trans-111.4117.5172.7-61.1-88.7000109F429 V436 L446 N449 L454 A457 V458 M468 N471 E472 V473 C474F429-F451 HydrophobicContact CB-CD1 3.64Å; F429-F451 HydrophobicContact CB-CE1 4.08Å; F429-F451 HydrophobicContact CB-CG 4.46Å; F429-F451 HydrophobicContact CD1-CE1 4.34Å; F429-F451 AromaticContact CD2-CD1 3.72Å; F429-F451 HydrophobicContact CD2-CD1 3.72Å; F429-F451 AromaticContact CD2-CE1 3.31Å; F429-F451 HydrophobicContact CD2-CE1 3.31Å; F429-F451 AromaticContact CD2-CZ 3.88Å; F429-F451 HydrophobicContact CD2-CZ 3.88Å; F429-F451 AromaticContact CE2-CE1 3.74Å; F429-F451 HydrophobicContact CE2-CE1 3.74Å; F429-F451 HydrophobicContact CE2-CZ 4.03Å; F429-F451 AromaticContact CG-CD1 3.77Å; F429-F451 HydrophobicContact CG-CD1 3.77Å; F429-F451 AromaticContact CG-CE1 3.66Å; F429-F451 HydrophobicContact CG-CE1 3.66Å; F429-F451 HydrophobicContact CZ-CE1 4.42Å; F429-F451 WeakPolarHBondContact O-CA 3.37Å; V436-F451 HydrophobicContact CG2-CE1 3.9Å; V436-F451 HydrophobicContact CG2-CZ 4.06Å; L446-F451 HydrophobicContact CD1-CE2 4.42Å; L446-F451 HydrophobicContact CD1-CZ 4.03Å; N449-F451 HydrophobicContact CB-CD2 4.34Å; N449-F451 HydrophobicContact CB-CE2 3.68Å; N449-F451 HydrophobicContact CB-CZ 4.12Å; F451-L454 HydrophobicContact CB-CD1 4Å; F451-L454 HydrophobicContact CD1-CD1 3.84Å; F451-L454 HydrophobicContact CG-CD1 4.44Å; F451-A457 HydrophobicContact CB-CB 3.48Å; F451-A457 VanDerWaalsContact CB-CB 3.48Å; F451-A457 HydrophobicContact CD1-CB 3.85Å; F451-A457 HydrophobicContact CD2-CB 4.47Å; F451-A457 HydrophobicContact CG-CB 3.7Å; F451-V458 HydrophobicContact CE1-CG2 4.21Å; F451-V458 HydrophobicContact CE2-CG2 4.33Å; F451-V458 HydrophobicContact CZ-CG2 4.01Å; F451-M468 HydrophobicContact CD2-CE 4.34Å; F451-M468 HydrophobicContact CE2-CE 4.15Å; F451-N471 HydrophobicContact CE2-CB 4.45Å; F451-E472 PolarHBondContact N-O 3.34Å; F451-V473 HydrophobicContact CB-CG2 4.3Å; F451-V473 HydrophobicContact CD2-CG2 3.97Å; F451-V473 HydrophobicContact CG-CG2 4.47Å; F451-V473 WeakPolarHBondContact O-CA 3.36Å; F451-C474 PolarHBondContact O-N 3.48Å
452R94.6Very high95.2Very high114 Ų11432.1 Ų32.143%0.4315%0.146SC..EExtended strand (participates in β ladder)trans-138.4137.2-174.5-176.9177.1-1781748.7112.4F429 R430 D431 L450 L454 C474 E475F429-R452 PolarHBondContact O-N 2.89Å; R430-R452 WeakPolarHBondContact CA-O 3.4Å; D431-R452 PolarHBondContact N-O 2.98Å; L450-R452 HydrophobicContact CD1-CB 4.42Å; R452-L454 PolarHBondContact O-N 2.91Å; R452-C474 VanDerWaalsContact CA-O 3.29Å; R452-C474 WeakPolarHBondContact CA-O 3.23Å; R452-E475 IonicContact CZ-OE1 3.01Å; R452-E475 IonicContact CZ-OE2 2.87Å; R452-E475 VanDerWaalsContact CZ-OE2 3.29Å; R452-E475 IonicContact NE-OE1 3.76Å; R452-E475 IonicContact NE-OE2 2.57Å; R452-E475 PolarHBondContact NE-OE2 2.87Å; R452-E475 IonicContact NH2-OE1 2.72Å; R452-E475 PolarHBondContact NH2-OE1 2.87Å; R452-E475 VanDerWaalsContact NH2-OE1 3.07Å; R452-E475 IonicContact NH2-OE2 2.93Å; R452-E475 PolarHBondContact NH2-OE2 2.89Å
453S93.1Very high95.2Very high32 Ų3236 Ų3622%0.22416%0.164CC..EExtended strand (participates in β ladder)trans57.336.6171.3-51.50000113.7C474 E475S453-C474 PolarHBondContact N-O 2.91Å; S453-E475 VanDerWaalsContact CA-O 3.27Å; S453-E475 WeakPolarHBondContact CA-O 3.36Å; S453-E475 PolarHBondContact OG-OE2 2.82Å
454L92.6Very high95.2Very high2 Ų233.8 Ų33.81%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-97.9169.4177-60.9171.7000111.3F429 G432 F451 R452 A457 C476 R477F429-L454 HydrophobicContact CB-CD1 3.77Å; G432-L454 CarbonylContact O-C 3.56Å; G432-L454 VanDerWaalsContact O-CA 3.22Å; G432-L454 WeakPolarHBondContact O-CA 3.41Å; F451-L454 HydrophobicContact CB-CD1 4Å; F451-L454 HydrophobicContact CD1-CD1 3.84Å; F451-L454 HydrophobicContact CG-CD1 4.44Å; R452-L454 PolarHBondContact O-N 2.91Å; L454-A457 HydrophobicContact CD1-CB 4.29Å; L454-C476 CarbonylContact O-C 3.6Å; L454-C476 WeakPolarHBondContact O-CA 3.48Å; L454-R477 PolarHBondContact O-N 3.3Å
455N91.7Very high95.2Very high52 Ų5234.5 Ų34.528%0.27816%0.157SC..EExtended strand (participates in β ladder)trans-72.9-60.8164.7-162.623000109.9G432 K433 A478G432-N455 PolarHBondContact O-N 3.13Å; K433-N455 WeakPolarHBondContact O-CB 3.37Å; K433-N455 PolarHBondContact O-N 3.24Å; N455-A478 WeakPolarHBondContact O-CA 3.42Å; N455-A478 VanDerWaalsContact O-CB 3.3Å; N455-A478 WeakPolarHBondContact O-CB 3.46Å; N455-A478 PolarHBondContact O-N 3.44Å; N455-A478 WeakPolarHBondContact OD1-CB 3.46Å
456Y92.7Very high95.3Very high72 Ų7233.3 Ų33.328%0.28215%0.153SC..EExtended strand (participates in β ladder)trans-120133.1168.5-60-84.9000109.2K433 G435 A478 S479 F482K433-Y456 PolarHBondContact O-N 2.87Å; G435-Y456 PolarHBondContact N-O 2.71Å; Y456-A478 HydrophobicContact CD1-CB 3.98Å; Y456-A478 HydrophobicContact CE1-CB 3.58Å; Y456-A478 HydrophobicContact CE2-CB 4.17Å; Y456-A478 HydrophobicContact CG-CB 4.44Å; Y456-S479 WeakPolarHBondContact CD1-O 3.33Å; Y456-F482 HydrophobicContact CD1-CB 4.11Å; Y456-F482 HydrophobicContact CE1-CB 4.39Å; Y456-F482 HydrophobicContact CE1-CD2 4.45Å
457A95.5Very high95.3Very high0 Ų033.6 Ų33.60%016%0.155CC..EExtended strand (participates in β ladder)trans-72.9-48.3174.300000111.4G435 V436 F451 L454 V473 G480G435-A457 CarbonylContact C-O 3.47Å; G435-A457 VanDerWaalsContact CA-O 3.28Å; G435-A457 WeakPolarHBondContact CA-O 3.48Å; V436-A457 PolarHBondContact N-O 2.96Å; F451-A457 HydrophobicContact CB-CB 3.48Å; F451-A457 VanDerWaalsContact CB-CB 3.48Å; F451-A457 HydrophobicContact CD1-CB 3.85Å; F451-A457 HydrophobicContact CD2-CB 4.47Å; F451-A457 HydrophobicContact CG-CB 3.7Å; L454-A457 HydrophobicContact CD1-CB 4.29Å; A457-V473 HydrophobicContact CB-CG1 3.58Å; A457-V473 HydrophobicContact CB-CG2 4.34Å; A457-G480 VanDerWaalsContact CB-O 3.27Å; A457-G480 WeakPolarHBondContact CB-O 3.36Å; A457-G480 PolarHBondContact N-O 3.22Å; A457-G480 VanDerWaalsContact N-O 3.1Å
458V97.3Very high95.5Very high0 Ų032.8 Ų32.80%015%0.151CC..EExtended strand (participates in β ladder)trans-137.5128179.7-176.90000110.2V436 L438 L446 F451 I466 M468 G480 V481 F482V436-V458 HydrophobicContact CB-CG2 4.46Å; V436-V458 CarbonylContact O-C 3.52Å; V436-V458 WeakPolarHBondContact O-CA 3.37Å; L438-V458 HydrophobicContact CD1-CG1 4.13Å; L446-V458 HydrophobicContact CD1-CG1 4.19Å; L446-V458 HydrophobicContact CD1-CG2 3.57Å; F451-V458 HydrophobicContact CE1-CG2 4.21Å; F451-V458 HydrophobicContact CE2-CG2 4.33Å; F451-V458 HydrophobicContact CZ-CG2 4.01Å; V458-I466 HydrophobicContact CG1-CG1 4.44Å; V458-M468 HydrophobicContact CG2-CE 4.27Å; V458-M468 HydrophobicContact CG2-SD 4.14Å; V458-G480 PolarHBondContact N-O 2.84Å; V458-V481 HydrophobicContact CB-CG1 4.13Å; V458-V481 HydrophobicContact CB-CG2 4.45Å; V458-V481 HydrophobicContact CG1-CG1 4.38Å; V458-V481 WeakPolarHBondContact O-CA 3.48Å; V458-F482 PolarHBondContact O-N 3.34Å
459R97Very high95.6Very high87 Ų8730 Ų3033%0.32814%0.138SC..EExtended strand (participates in β ladder)trans-124.1111.3179.2-163.1-176.895.7104.1-6.5111V436 H437 L438 F482V436-R459 PolarHBondContact O-N 2.94Å; H437-R459 CarbonylContact C-O 3.5Å; H437-R459 WeakPolarHBondContact CA-O 3.26Å; H437-R459 VanDerWaalsContact CE1-CZ 3.45Å; H437-R459 PolarHBondContact CE1-NE 2.84Å; H437-R459 PolarHBondContact CE1-NH2 3.18Å; H437-R459 PolarHBondContact ND1-NE 3.44Å; H437-R459 PolarHBondContact ND1-O 3.18Å; H437-R459 PolarHBondContact NE2-NH2 3.04Å; L438-R459 PolarHBondContact N-O 2.92Å; R459-F482 WeakPolarHBondContact CA-O 3.48Å; R459-F482 HydrophobicContact CG-CB 4.33Å; R459-F482 HydrophobicContact CG-CD1 3.71Å; R459-F482 HydrophobicContact CG-CG 4.42Å
460C97.5Very high95.8Very high0 Ų033.7 Ų33.70%015%0.152CC..EExtended strand (participates in β ladder)trans-108.6122.3179.6-54.10000110.6S464 F482 L483 R484 A487C460-S464 WeakPolarHBondContact CA-OG 3.12Å; C460-S464 WeakPolarHBondContact CB-OG 3.16Å; C460-F482 PolarHBondContact N-O 2.9Å; C460-L483 HydrophobicContact CB-CD2 4.28Å; C460-L483 HydrophobicContact CB-CG 4.2Å; C460-L483 WeakPolarHBondContact O-CA 3.46Å; C460-R484 PolarHBondContact O-N 3.17Å; C460-A487 HydrophobicContact CB-CB 3.82Å
461I96.9Very high96Very high16 Ų1630.6 Ų30.68%0.08214%0.135CC..  trans-132.8166.2175.766.9169.6000112.2L438 S439 S464 R484L438-I461 PolarHBondContact O-N 3.3Å; S439-I461 WeakPolarHBondContact CA-O 3.45Å; I461-S464 PolarHBondContact N-OG 2.85Å; I461-S464 VanDerWaalsContact O-CB 3.27Å; I461-S464 WeakPolarHBondContact O-CB 3.32Å; I461-S464 PolarHBondContact O-N 2.86Å; I461-S464 PolarHBondContact O-OG 3.06Å; I461-R484 WeakPolarHBondContact CA-O 3.46Å; I461-R484 HydrophobicContact CG2-CB 4.45Å
462Q95.9Very high96Very high72 Ų7233.6 Ų33.634%0.33615%0.15SC..THydrogen-bonded Turntrans51.866.1166.4-64.1168.6-5200113.3N440 Y441 S464 R484 L485N440-Q462 WeakPolarHBondContact CA-O 3.34Å; N440-Q462 PolarHBondContact N-O 3.22Å; N440-Q462 PolarHBondContact OD1-NE2 2.9Å; N440-Q462 PolarHBondContact OD1-OE1 3.04Å; Y441-Q462 PolarHBondContact N-O 3.24Å; Q462-S464 PolarHBondContact O-N 2.94Å; Q462-S464 VanDerWaalsContact O-N 3.07Å; Q462-R484 PolarHBondContact N-O 2.79Å; Q462-L485 WeakPolarHBondContact CA-O 3.44Å; Q462-L485 HydrophobicContact CG-CD1 3.83Å; Q462-L485 PolarHBondContact N-O 3.33Å
463H96.4Very high96.2Very high81 Ų8128.2 Ų28.238%0.37513%0.129SC..THydrogen-bonded Turntrans59.318.2177.3-5487.3000115.2Y441 L485 S486Y441-H463 HydrophobicContact CD1-CB 3.53Å; Y441-H463 HydrophobicContact CE1-CB 3.4Å; Y441-H463 AromaticContact CE1-CG 3.77Å; Y441-H463 HydrophobicContact CE2-CB 4.39Å; Y441-H463 HydrophobicContact CG-CB 4.11Å; Y441-H463 AromaticContact CZ-CG 3.89Å; H463-L485 PolarHBondContact N-O 3.48Å; H463-S486 VanDerWaalsContact CD2-CB 3.46Å; H463-S486 WeakPolarHBondContact CD2-CB 3.39Å; H463-S486 WeakPolarHBondContact NE2-CB 3.48Å
464S97.4Very high96.4Very high0 Ų027 Ų270%012%0.121CC..  trans-65152.4173.548.30000112G442 C460 I461 Q462 A487 Q488G442-S464 CarbonylContact O-C 3.58Å; G442-S464 VanDerWaalsContact O-CA 3.32Å; G442-S464 WeakPolarHBondContact O-CA 3.27Å; G442-S464 WeakPolarHBondContact O-CB 3.23Å; C460-S464 WeakPolarHBondContact CA-OG 3.12Å; C460-S464 WeakPolarHBondContact CB-OG 3.16Å; I461-S464 PolarHBondContact N-OG 2.85Å; I461-S464 VanDerWaalsContact O-CB 3.27Å; I461-S464 WeakPolarHBondContact O-CB 3.32Å; I461-S464 PolarHBondContact O-N 2.86Å; I461-S464 PolarHBondContact O-OG 3.06Å; Q462-S464 PolarHBondContact O-N 2.94Å; Q462-S464 VanDerWaalsContact O-N 3.07Å; S464-A487 WeakPolarHBondContact O-CA 3.36Å; S464-Q488 PolarHBondContact O-N 2.86Å
465T97.7Very high96.5Very high17 Ų1730.8 Ų30.810%0.10414%0.139CC..EExtended strand (participates in β ladder)trans-122.4122179.2-560000110.5L415 G442 Q443 A444 Q488L415-T465 HydrophobicContact CD2-CG2 4.01Å; G442-T465 PolarHBondContact O-N 2.87Å; Q443-T465 VanDerWaalsContact CA-O 3.32Å; Q443-T465 WeakPolarHBondContact CA-O 3.23Å; A444-T465 PolarHBondContact N-O 2.77Å; A444-T465 VanDerWaalsContact N-O 3.15Å; T465-Q488 WeakPolarHBondContact CA-O 3.42Å; T465-Q488 HydrophobicContact CG2-CG 4.31Å; T465-Q488 WeakPolarHBondContact OG1-CG 3.29Å; T465-Q488 PolarHBondContact OG1-NE2 3.42Å
466I97.7Very high96.7Very high0 Ų028.4 Ų28.40%013%0.126CC..EExtended strand (participates in β ladder)trans-114.7139.9-179.9-170.459000111.6L438 A444 L446 V458 M468 L483 Q488 G489 L490L438-I466 HydrophobicContact CD1-CD1 3.79Å; L438-I466 HydrophobicContact CD1-CG1 4.47Å; L438-I466 HydrophobicContact CD2-CD1 4.14Å; A444-I466 HydrophobicContact CB-CD1 3.99Å; A444-I466 WeakPolarHBondContact O-CD1 3.39Å; L446-I466 HydrophobicContact CD1-CD1 3.77Å; L446-I466 HydrophobicContact CD1-CG1 4.41Å; L446-I466 HydrophobicContact CD2-CD1 4.42Å; L446-I466 HydrophobicContact CG-CD1 3.69Å; V458-I466 HydrophobicContact CG1-CG1 4.44Å; I466-M468 HydrophobicContact CG1-CB 4.34Å; I466-L483 HydrophobicContact CG2-CD2 4.31Å; I466-Q488 PolarHBondContact N-O 2.76Å; I466-G489 CarbonylContact O-C 3.53Å; I466-G489 WeakPolarHBondContact O-CA 3.19Å; I466-L490 PolarHBondContact O-N 3.12Å
467V98.3Very high96.8Very high6 Ų634.6 Ų34.64%0.03615%0.149CC..EExtended strand (participates in β ladder)trans-121.6107.7166.7-179.20000108.3L415 A444 R445 L446 L469 L490L415-V467 HydrophobicContact CB-CG2 4.31Å; L415-V467 HydrophobicContact CD2-CG2 4.45Å; L415-V467 WeakPolarHBondContact O-CG2 3.46Å; A444-V467 PolarHBondContact O-N 2.92Å; R445-V467 CarbonylContact C-O 3.57Å; R445-V467 VanDerWaalsContact CA-O 3.23Å; R445-V467 WeakPolarHBondContact CA-O 3.27Å; R445-V467 HydrophobicContact CB-CB 4.43Å; R445-V467 HydrophobicContact CG-CB 4.18Å; R445-V467 HydrophobicContact CG-CG1 4.26Å; L446-V467 PolarHBondContact N-O 2.84Å; V467-L469 HydrophobicContact CG1-CD1 4.18Å; V467-L469 HydrophobicContact CG1-CD2 4.46Å; V467-L469 HydrophobicContact CG1-CG 4.05Å; V467-L490 CarbonylContact C-O 3.59Å; V467-L490 WeakPolarHBondContact CA-O 3.3Å; V467-L490 HydrophobicContact CG1-CB 4.5Å
468M97.9Very high96.7Very high0 Ų034.9 Ų34.90%015%0.151CC..EExtended strand (participates in β ladder)trans-118.4109.5-172.8-170.4172.2176.500109.6L446 F451 V458 I466 N471 V473 V481 L490 I491 A492 N494L446-M468 HydrophobicContact CB-CB 4.48Å; L446-M468 HydrophobicContact CB-CG 4.16Å; L446-M468 HydrophobicContact CD1-CG 4.3Å; L446-M468 HydrophobicContact CD1-SD 4.3Å; L446-M468 CarbonylContact O-C 3.54Å; L446-M468 WeakPolarHBondContact O-CA 3.43Å; F451-M468 HydrophobicContact CD2-CE 4.34Å; F451-M468 HydrophobicContact CE2-CE 4.15Å; V458-M468 HydrophobicContact CG2-CE 4.27Å; V458-M468 HydrophobicContact CG2-SD 4.14Å; I466-M468 HydrophobicContact CG1-CB 4.34Å; M468-N471 HydrophobicContact CE-CB 3.64Å; M468-N471 HydrophobicContact CG-CB 4.37Å; M468-N471 WeakPolarHBondContact CG-ND2 3.4Å; M468-V473 HydrophobicContact CE-CG2 3.34Å; M468-V481 HydrophobicContact CE-CG2 4.29Å; M468-V481 HydrophobicContact SD-CG2 3.91Å; M468-L490 PolarHBondContact N-O 2.82Å; M468-I491 HydrophobicContact CB-CG1 4.34Å; M468-I491 CarbonylContact O-C 3.6Å; M468-I491 WeakPolarHBondContact O-CA 3.37Å; M468-A492 PolarHBondContact O-N 2.83Å; M468-N494 WeakPolarHBondContact CG-OD1 3.31Å; M468-N494 PolarHBondContact O-ND2 3.13Å
469L96.8Very high96.5Very high7 Ų734.9 Ų34.94%0.03715%0.151CC..EExtended strand (participates in β ladder)trans-124.9128.1-174.6-55.7177.8000113L446 E447 E448 V467 N471 L490 A492L446-L469 PolarHBondContact O-N 2.96Å; E447-L469 VanDerWaalsContact CA-O 3.32Å; E447-L469 WeakPolarHBondContact CA-O 3.31Å; E447-L469 HydrophobicContact CG-CB 4.42Å; E448-L469 PolarHBondContact N-O 3.06Å; V467-L469 HydrophobicContact CG1-CD1 4.18Å; V467-L469 HydrophobicContact CG1-CD2 4.46Å; V467-L469 HydrophobicContact CG1-CG 4.05Å; L469-N471 VanDerWaalsContact C-N 3.27Å; L469-N471 VanDerWaalsContact C-ND2 3.31Å; L469-N471 PolarHBondContact N-ND2 3.48Å; L469-N471 PolarHBondContact O-N 3.27Å; L469-N471 PolarHBondContact O-ND2 3.39Å; L469-L490 HydrophobicContact CD2-CD2 4.09Å; L469-L490 HydrophobicContact CD2-CG 4.38Å; L469-A492 VanDerWaalsContact CA-O 3.28Å; L469-A492 WeakPolarHBondContact CA-O 3.39Å; L469-A492 HydrophobicContact CD2-CB 3.76Å
470R96.4Very high96.5Very high82 Ų8230.8 Ų30.831%0.30914%0.136SC..SBendtrans54.937.7172.9-60179-63.8-74.3-6.7114.4E447 E448 A492 E493 N494E447-R470 IonicContact OE1-NH2 3.72Å; E448-R470 VanDerWaalsContact CA-O 3.29Å; E448-R470 WeakPolarHBondContact CA-O 3.37Å; E448-R470 PolarHBondContact N-O 3.44Å; R470-A492 PolarHBondContact N-O 3.12Å; R470-A492 VanDerWaalsContact N-O 3.17Å; R470-E493 VanDerWaalsContact CA-O 3.31Å; R470-E493 WeakPolarHBondContact CA-O 3.28Å; R470-E493 WeakPolarHBondContact CD-OE2 3.17Å; R470-E493 HydrophobicContact CG-CB 3.78Å; R470-E493 WeakPolarHBondContact CG-OE2 3.42Å; R470-E493 IonicContact NH1-OE2 3.77Å; R470-N494 PolarHBondContact N-OD1 3.13Å
471N96.4Very high96.5Very high2 Ų230.8 Ų30.81%0.01114%0.136CC..  trans-95156.2175.8-55.7-90.3000110.8L446 E448 N449 F451 M468 L469 N494 N495L446-N471 PolarHBondContact O-ND2 2.87Å; E448-N471 PolarHBondContact N-OD1 3.41Å; N449-N471 VanDerWaalsContact CB-OD1 3.24Å; N449-N471 WeakPolarHBondContact CB-OD1 2.84Å; N449-N471 PolarHBondContact N-OD1 3.14Å; N449-N471 PolarHBondContact ND2-OD1 2.98Å; N449-N471 WeakPolarHBondContact O-CA 3.33Å; N449-N471 WeakPolarHBondContact O-CB 3.26Å; F451-N471 HydrophobicContact CE2-CB 4.45Å; M468-N471 HydrophobicContact CE-CB 3.64Å; M468-N471 HydrophobicContact CG-CB 4.37Å; M468-N471 WeakPolarHBondContact CG-ND2 3.4Å; L469-N471 VanDerWaalsContact C-N 3.27Å; L469-N471 VanDerWaalsContact C-ND2 3.31Å; L469-N471 PolarHBondContact N-ND2 3.48Å; L469-N471 PolarHBondContact O-N 3.27Å; L469-N471 PolarHBondContact O-ND2 3.39Å; N471-N494 VanDerWaalsContact CB-OD1 3.31Å; N471-N494 WeakPolarHBondContact CB-OD1 3.21Å; N471-N494 PolarHBondContact N-OD1 3.13Å; N471-N494 PolarHBondContact ND2-OD1 3.09Å; N471-N494 WeakPolarHBondContact O-CA 3.43Å; N471-N494 WeakPolarHBondContact O-CB 3.46Å; N471-N495 PolarHBondContact O-N 3.49Å
472E97Very high96.5Very high64 Ų6430.8 Ų30.830%0.29914%0.135SC..EExtended strand (participates in β ladder)trans-103.9123.9170.8-17177.617500108.7N449 L450 F451 N495 H497N449-E472 PolarHBondContact O-N 3.07Å; L450-E472 HydrophobicContact CD1-CB 3.68Å; L450-E472 HydrophobicContact CD1-CG 3.58Å; F451-E472 PolarHBondContact N-O 3.34Å; E472-N495 VanDerWaalsContact CD-ND2 3.26Å; E472-N495 PolarHBondContact OE1-ND2 3.17Å; E472-N495 VanDerWaalsContact OE2-CB 3.23Å; E472-N495 WeakPolarHBondContact OE2-CB 3.13Å; E472-N495 PolarHBondContact OE2-ND2 2.83Å; E472-H497 IonicContact OE1-CD2 2.62Å; E472-H497 IonicContact OE1-NE2 2.87Å; E472-H497 PolarHBondContact OE1-NE2 3.17Å
473V98Very high96.6Very high0 Ų027.4 Ų27.40%012%0.119CC..EExtended strand (participates in β ladder)trans-126.4111.6176.6179.80000109.1F451 A457 M468 N495 I496 H497F451-V473 HydrophobicContact CB-CG2 4.3Å; F451-V473 HydrophobicContact CD2-CG2 3.97Å; F451-V473 HydrophobicContact CG-CG2 4.47Å; F451-V473 WeakPolarHBondContact O-CA 3.36Å; A457-V473 HydrophobicContact CB-CG1 3.58Å; A457-V473 HydrophobicContact CB-CG2 4.34Å; M468-V473 HydrophobicContact CE-CG2 3.34Å; V473-N495 PolarHBondContact N-O 3.38Å; V473-I496 HydrophobicContact CB-CB 4.47Å; V473-I496 HydrophobicContact CB-CG1 4.21Å; V473-I496 HydrophobicContact CB-CG2 4.26Å; V473-I496 HydrophobicContact CG1-CG2 4.34Å; V473-I496 HydrophobicContact CG2-CG1 4.41Å; V473-I496 CarbonylContact O-C 3.58Å; V473-I496 WeakPolarHBondContact O-CA 3.34Å; V473-H497 PolarHBondContact O-N 2.97Å
474C96.9Very high96.7Very high8 Ų825.4 Ų25.45%0.05411%0.109CC..EExtended strand (participates in β ladder)trans-143.6158-175.764.10000115.6F451 R452 S453 C476 H497F451-C474 PolarHBondContact O-N 3.48Å; R452-C474 VanDerWaalsContact CA-O 3.29Å; R452-C474 WeakPolarHBondContact CA-O 3.23Å; S453-C474 PolarHBondContact N-O 2.91Å; C474-C476 PolarHBondContact O-N 3.38Å; C474-H497 WeakPolarHBondContact CA-O 3.38Å; C474-H497 WeakPolarHBondContact CB-CE1 3.2Å; C474-H497 WeakPolarHBondContact CB-NE2 3.44Å
475E95.3Very high96.6Very high81 Ų8128.3 Ų28.338%0.37912%0.124SC..  trans5626.2171.7-58.9175.7179.500113.5R452 S453 H497 S498 N499R452-E475 IonicContact CZ-OE1 3.01Å; R452-E475 IonicContact CZ-OE2 2.87Å; R452-E475 VanDerWaalsContact CZ-OE2 3.29Å; R452-E475 IonicContact NE-OE1 3.76Å; R452-E475 IonicContact NE-OE2 2.57Å; R452-E475 PolarHBondContact NE-OE2 2.87Å; R452-E475 IonicContact NH2-OE1 2.72Å; R452-E475 PolarHBondContact NH2-OE1 2.87Å; R452-E475 VanDerWaalsContact NH2-OE1 3.07Å; R452-E475 IonicContact NH2-OE2 2.93Å; R452-E475 PolarHBondContact NH2-OE2 2.89Å; S453-E475 VanDerWaalsContact CA-O 3.27Å; S453-E475 WeakPolarHBondContact CA-O 3.36Å; S453-E475 PolarHBondContact OG-OE2 2.82Å; E475-H497 PolarHBondContact N-O 3.13Å; E475-S498 VanDerWaalsContact CA-O 3.27Å; E475-S498 WeakPolarHBondContact CA-O 3.46Å; E475-S498 PolarHBondContact N-O 2.88Å; E475-N499 PolarHBondContact N-OD1 2.92Å
476C95.1Very high96.5Very high2 Ų229.8 Ų29.81%0.01414%0.135CC..  trans-71141.8175.9-630000110.2L454 C474 N499 G500L454-C476 CarbonylContact O-C 3.6Å; L454-C476 WeakPolarHBondContact O-CA 3.48Å; C474-C476 PolarHBondContact O-N 3.38Å; C476-N499 HydrophobicContact CB-CB 4.3Å; C476-N499 VanDerWaalsContact CB-OD1 3.26Å; C476-N499 WeakPolarHBondContact CB-OD1 3.17Å; C476-N499 PolarHBondContact N-OD1 3.29Å; C476-N499 CarbonylContact O-C 3.54Å; C476-N499 WeakPolarHBondContact O-CA 3.39Å; C476-G500 PolarHBondContact O-N 2.83Å
477R94.6Very high96.5Very high201 Ų20129.8 Ų29.876%0.75814%0.135SC*.SBendtrans-69.2-37.2178.6-61.3-176.9-177.5-179.81.5112L454L454-R477 PolarHBondContact O-N 3.3Å
478A93.6Very high96.5Very high6 Ų633.6 Ų33.65%0.0515%0.152CC..SBendtrans-104.5-139.9174.800000110.8N455 Y456 G500 E501N455-A478 WeakPolarHBondContact O-CA 3.42Å; N455-A478 VanDerWaalsContact O-CB 3.3Å; N455-A478 WeakPolarHBondContact O-CB 3.46Å; N455-A478 PolarHBondContact O-N 3.44Å; N455-A478 WeakPolarHBondContact OD1-CB 3.46Å; Y456-A478 HydrophobicContact CD1-CB 3.98Å; Y456-A478 HydrophobicContact CE1-CB 3.58Å; Y456-A478 HydrophobicContact CE2-CB 4.17Å; Y456-A478 HydrophobicContact CG-CB 4.44Å; A478-G500 PolarHBondContact O-N 2.85Å; A478-E501 HydrophobicContact CB-CG 4.49Å; A478-E501 PolarHBondContact O-N 2.87Å; A478-E501 VanDerWaalsContact O-N 3.08Å
479S94.5Very high96.4Very high1 Ų133.7 Ų33.71%0.00715%0.153CC..  trans-79.8145177.5-63.20000111.8Y456 E501 A502Y456-S479 WeakPolarHBondContact CD1-O 3.33Å; S479-E501 PolarHBondContact OG-OE2 3.23Å; S479-A502 CarbonylContact C-O 3.54Å; S479-A502 WeakPolarHBondContact CA-O 3.32Å; S479-A502 WeakPolarHBondContact CB-O 3.44Å; S479-A502 PolarHBondContact OG-N 2.89Å
480G96.1Very high96.5Very high0 Ų033.3 Ų33.30%015%0.152CC..SBendtrans-62.6-63.8178.500000111.6A457 V458 A502 G503A457-G480 VanDerWaalsContact CB-O 3.27Å; A457-G480 WeakPolarHBondContact CB-O 3.36Å; A457-G480 PolarHBondContact N-O 3.22Å; A457-G480 VanDerWaalsContact N-O 3.1Å; V458-G480 PolarHBondContact N-O 2.84Å; G480-A502 PolarHBondContact N-O 3.05Å; G480-G503 WeakPolarHBondContact CA-O 3.4Å; G480-G503 PolarHBondContact N-O 2.78Å
481V98Very high96.6Very high0 Ų029.4 Ų29.40%014%0.137CC..EExtended strand (participates in β ladder)trans-118.7129.5173.9-172.20000109.8V458 M468 L483 I491 I496 G503 L504 D505V458-V481 HydrophobicContact CB-CG1 4.13Å; V458-V481 HydrophobicContact CB-CG2 4.45Å; V458-V481 HydrophobicContact CG1-CG1 4.38Å; V458-V481 WeakPolarHBondContact O-CA 3.48Å; M468-V481 HydrophobicContact CE-CG2 4.29Å; M468-V481 HydrophobicContact SD-CG2 3.91Å; V481-L483 HydrophobicContact CG1-CD1 3.76Å; V481-L483 HydrophobicContact CG1-CG 4.42Å; V481-I491 HydrophobicContact CG1-CD1 4.02Å; V481-I496 HydrophobicContact CG2-CD1 4.36Å; V481-G503 PolarHBondContact N-O 3.16Å; V481-L504 HydrophobicContact CB-CD2 3.49Å; V481-L504 VanDerWaalsContact CB-CD2 3.49Å; V481-L504 HydrophobicContact CG1-CD2 4.31Å; V481-L504 HydrophobicContact CG2-CD2 3.69Å; V481-L504 WeakPolarHBondContact O-CA 3.49Å; V481-D505 PolarHBondContact O-N 3Å
482F97.4Very high96.7Very high17 Ų1729.3 Ų29.38%0.07514%0.136CC..EExtended strand (participates in β ladder)trans-119.7124.9-179-179.1-92.2000110.8Y456 V458 R459 C460 R484 D505 R507Y456-F482 HydrophobicContact CD1-CB 4.11Å; Y456-F482 HydrophobicContact CE1-CB 4.39Å; Y456-F482 HydrophobicContact CE1-CD2 4.45Å; V458-F482 PolarHBondContact O-N 3.34Å; R459-F482 WeakPolarHBondContact CA-O 3.48Å; R459-F482 HydrophobicContact CG-CB 4.33Å; R459-F482 HydrophobicContact CG-CD1 3.71Å; R459-F482 HydrophobicContact CG-CG 4.42Å; C460-F482 PolarHBondContact N-O 2.9Å; F482-R484 HydrophobicContact CE1-CB 3.75Å; F482-R484 HydrophobicContact CZ-CB 4.11Å; F482-D505 HydrophobicContact CD2-CB 3.89Å; F482-D505 WeakPolarHBondContact CD2-OD2 3.42Å; F482-D505 WeakPolarHBondContact CE2-OD2 3.38Å; F482-R507 HydrophobicContact CE2-CG 4.37Å
483L98.3Very high96.8Very high0 Ų030 Ų300%014%0.14CC..EExtended strand (participates in β ladder)trans-124.6126.6178.8-59101.3000110.8C460 I466 V481 A487 I491 D505 R507 A510 P512C460-L483 HydrophobicContact CB-CD2 4.28Å; C460-L483 HydrophobicContact CB-CG 4.2Å; C460-L483 WeakPolarHBondContact O-CA 3.46Å; I466-L483 HydrophobicContact CG2-CD2 4.31Å; V481-L483 HydrophobicContact CG1-CD1 3.76Å; V481-L483 HydrophobicContact CG1-CG 4.42Å; L483-A487 HydrophobicContact CB-CB 4.15Å; L483-A487 HydrophobicContact CD2-CB 4.34Å; L483-I491 HydrophobicContact CD1-CD1 4.07Å; L483-D505 PolarHBondContact N-O 3Å; L483-R507 PolarHBondContact O-N 3.32Å; L483-A510 HydrophobicContact CB-CB 3.92Å; L483-P512 HydrophobicContact CD1-CG 4.36Å; L483-P512 HydrophobicContact CD2-CB 3.88Å; L483-P512 HydrophobicContact CD2-CG 4.1Å
484R96.9Very high96.8Very high39 Ų3930.1 Ų30.115%0.14714%0.14CC..  trans-143.1162.9177.6-160.7165.6101.7160.1160.2112.4C460 I461 Q462 F482 A487 R507 K508 E716C460-R484 PolarHBondContact O-N 3.17Å; I461-R484 WeakPolarHBondContact CA-O 3.46Å; I461-R484 HydrophobicContact CG2-CB 4.45Å; Q462-R484 PolarHBondContact N-O 2.79Å; F482-R484 HydrophobicContact CE1-CB 3.75Å; F482-R484 HydrophobicContact CZ-CB 4.11Å; R484-A487 WeakPolarHBondContact O-CB 3.46Å; R484-A487 PolarHBondContact O-N 3.49Å; R484-R507 WeakPolarHBondContact CA-O 3.36Å; R484-R507 HydrophobicContact CB-CB 4.25Å; R484-R507 HydrophobicContact CG-CB 3.77Å; R484-K508 HydrophobicContact CG-CB 3.64Å; R484-K508 HydrophobicContact CG-CD 3.9Å; R484-K508 HydrophobicContact CG-CG 3.77Å; R484-K508 VanDerWaalsContact CZ-CE 3.49Å; R484-K508 VanDerWaalsContact CZ-NZ 3.27Å; R484-E716 IonicContact CZ-OE2 3.76Å; R484-E716 IonicContact NH1-OE1 3.81Å; R484-E716 PolarHBondContact NH1-OE1 3.13Å; R484-E716 IonicContact NH1-OE2 2.76Å; R484-E716 PolarHBondContact NH1-OE2 3Å; R484-E716 IonicContact NH2-OE2 3.33Å
485L96.1Very high96.9Very high61 Ų6131.4 Ų31.432%0.31915%0.146SC..SBendtrans5861.1170.8-55.2177.3000111.5Q462 H463 A487 K508Q462-L485 WeakPolarHBondContact CA-O 3.44Å; Q462-L485 HydrophobicContact CG-CD1 3.83Å; Q462-L485 PolarHBondContact N-O 3.33Å; H463-L485 PolarHBondContact N-O 3.48Å; L485-A487 PolarHBondContact O-N 3.26Å; L485-A487 VanDerWaalsContact O-N 3.11Å; L485-K508 VanDerWaalsContact CA-O 3.27Å; L485-K508 WeakPolarHBondContact CA-O 3.38Å; L485-K508 HydrophobicContact CD2-CB 4.03Å; L485-K508 HydrophobicContact CD2-CD 3.68Å; L485-K508 PolarHBondContact N-O 2.93Å; L485-K508 VanDerWaalsContact N-O 3.13Å
486S96.4Very high97.1Very high49 Ų4927.6 Ų27.634%0.34313%0.129SC..SBendtrans59.821.1178.5-50.30000115H463 K508H463-S486 VanDerWaalsContact CD2-CB 3.46Å; H463-S486 WeakPolarHBondContact CD2-CB 3.39Å; H463-S486 WeakPolarHBondContact NE2-CB 3.48Å; S486-K508 PolarHBondContact N-O 2.94Å
487A97.7Very high97.2Very high0 Ų029 Ų290%014%0.135CC..  trans-62.414317000000110.8C460 S464 L483 R484 L485 A510 N511C460-A487 HydrophobicContact CB-CB 3.82Å; S464-A487 WeakPolarHBondContact O-CA 3.36Å; L483-A487 HydrophobicContact CB-CB 4.15Å; L483-A487 HydrophobicContact CD2-CB 4.34Å; R484-A487 WeakPolarHBondContact O-CB 3.46Å; R484-A487 PolarHBondContact O-N 3.49Å; L485-A487 PolarHBondContact O-N 3.26Å; L485-A487 VanDerWaalsContact O-N 3.11Å; A487-A510 HydrophobicContact CB-CB 4.45Å; A487-A510 CarbonylContact O-C 3.59Å; A487-A510 VanDerWaalsContact O-CA 3.23Å; A487-A510 WeakPolarHBondContact O-CA 3.34Å; A487-A510 WeakPolarHBondContact O-CB 3.4Å; A487-N511 PolarHBondContact O-N 2.9Å
488Q97.1Very high97.3Very high85 Ų8521.7 Ų21.740%0.39712%0.115SC..EExtended strand (participates in β ladder)trans-141.4175.9-173.364.7-175.70.900110.9S464 T465 I466S464-Q488 PolarHBondContact O-N 2.86Å; T465-Q488 WeakPolarHBondContact CA-O 3.42Å; T465-Q488 HydrophobicContact CG2-CG 4.31Å; T465-Q488 WeakPolarHBondContact OG1-CG 3.29Å; T465-Q488 PolarHBondContact OG1-NE2 3.42Å; I466-Q488 PolarHBondContact N-O 2.76Å
489G96.9Very high97.5Very high2 Ų221.5 Ų21.52%0.02111%0.113CC..EExtended strand (participates in β ladder)trans143.7-173.7176.800000114.6I466 I513I466-G489 CarbonylContact O-C 3.53Å; I466-G489 WeakPolarHBondContact O-CA 3.19Å; G489-I513 PolarHBondContact O-N 3.04Å
490L98.6Very high97.5Very high0 Ų022.3 Ų22.30%012%0.122CC..EExtended strand (participates in β ladder)trans-114.1124.9177.2175.265.4000109.8L406 A412 L415 A416 I466 V467 M468 L469 A492 I513 L515L406-L490 HydrophobicContact CD2-CD2 4.43Å; A412-L490 HydrophobicContact CB-CD1 4.37Å; L415-L490 HydrophobicContact CB-CB 3.85Å; L415-L490 HydrophobicContact CB-CD2 4.33Å; L415-L490 HydrophobicContact CD1-CB 4.1Å; A416-L490 HydrophobicContact CB-CD2 3.67Å; I466-L490 PolarHBondContact O-N 3.12Å; V467-L490 CarbonylContact C-O 3.59Å; V467-L490 WeakPolarHBondContact CA-O 3.3Å; V467-L490 HydrophobicContact CG1-CB 4.5Å; M468-L490 PolarHBondContact N-O 2.82Å; L469-L490 HydrophobicContact CD2-CD2 4.09Å; L469-L490 HydrophobicContact CD2-CG 4.38Å; L490-A492 HydrophobicContact CD1-CB 4.06Å; L490-A492 HydrophobicContact CG-CB 4.23Å; L490-I513 CarbonylContact C-O 3.54Å; L490-I513 WeakPolarHBondContact CA-O 3.42Å; L490-I513 HydrophobicContact CD1-CB 4.25Å; L490-I513 HydrophobicContact CD1-CG2 4Å; L490-L515 HydrophobicContact CD1-CD1 3.82Å; L490-L515 HydrophobicContact CD1-CG 4.12Å
491I98.8Very high97.5Very high0 Ų023.5 Ų23.50%013%0.127CC..EExtended strand (participates in β ladder)trans-119.6104.9173.1-58.4172.4000106.5M468 V481 L483 N494 L504 I513 I514 L515 N517M468-I491 HydrophobicContact CB-CG1 4.34Å; M468-I491 CarbonylContact O-C 3.6Å; M468-I491 WeakPolarHBondContact O-CA 3.37Å; V481-I491 HydrophobicContact CG1-CD1 4.02Å; L483-I491 HydrophobicContact CD1-CD1 4.07Å; I491-N494 VanDerWaalsContact CG2-ND2 3.31Å; I491-N494 WeakPolarHBondContact CG2-ND2 3.42Å; I491-L504 HydrophobicContact CD1-CD2 4.12Å; I491-L504 HydrophobicContact CG2-CD2 4.46Å; I491-I513 PolarHBondContact N-O 3.48Å; I491-I514 HydrophobicContact CB-CG1 4.36Å; I491-I514 HydrophobicContact CD1-CG1 4.43Å; I491-I514 CarbonylContact O-C 3.52Å; I491-I514 WeakPolarHBondContact O-CA 3.36Å; I491-L515 PolarHBondContact O-N 2.98Å; I491-N517 PolarHBondContact O-ND2 2.95Å
492A98.5Very high97.4Very high0 Ų023.7 Ų23.70%013%0.129CC..EExtended strand (participates in β ladder)trans-138.1147.8-175.200000116.4L402 M468 L469 R470 L490 N494 L515 N517L402-A492 HydrophobicContact CD1-CB 3.71Å; L402-A492 HydrophobicContact CD2-CB 4.34Å; M468-A492 PolarHBondContact O-N 2.83Å; L469-A492 VanDerWaalsContact CA-O 3.28Å; L469-A492 WeakPolarHBondContact CA-O 3.39Å; L469-A492 HydrophobicContact CD2-CB 3.76Å; R470-A492 PolarHBondContact N-O 3.12Å; R470-A492 VanDerWaalsContact N-O 3.17Å; L490-A492 HydrophobicContact CD1-CB 4.06Å; L490-A492 HydrophobicContact CG-CB 4.23Å; A492-N494 PolarHBondContact N-ND2 3.13Å; A492-N494 VanDerWaalsContact N-ND2 3.11Å; A492-N494 PolarHBondContact O-N 3.36Å; A492-N494 PolarHBondContact O-ND2 3.21Å; A492-L515 WeakPolarHBondContact CA-O 3.48Å; A492-L515 HydrophobicContact CB-CB 4.03Å; A492-L515 WeakPolarHBondContact CB-O 3.48Å; A492-N517 WeakPolarHBondContact CA-OD1 3.36Å
493E98Very high97.4Very high79 Ų7923.1 Ų23.137%0.36913%0.127SC..SBendtrans54.122.4-179-72.3-179.1164.300114.7L402 R470 L515 C516 N517L402-E493 HydrophobicContact CB-CG 4.06Å; L402-E493 WeakPolarHBondContact CB-OE1 3.27Å; L402-E493 HydrophobicContact CD2-CG 3.69Å; L402-E493 HydrophobicContact CG-CG 4.38Å; R470-E493 VanDerWaalsContact CA-O 3.31Å; R470-E493 WeakPolarHBondContact CA-O 3.28Å; R470-E493 WeakPolarHBondContact CD-OE2 3.17Å; R470-E493 HydrophobicContact CG-CB 3.78Å; R470-E493 WeakPolarHBondContact CG-OE2 3.42Å; R470-E493 IonicContact NH1-OE2 3.77Å; E493-L515 PolarHBondContact N-O 3.43Å; E493-L515 VanDerWaalsContact N-O 3.13Å; E493-C516 WeakPolarHBondContact CA-O 3.43Å; E493-C516 HydrophobicContact CG-CB 4.39Å; E493-N517 PolarHBondContact N-OD1 3.29Å
494N98.4Very high97.4Very high1 Ų123.1 Ų23.11%0.00513%0.127CC..  trans-84.5155176.6-53.5-79.1000110.7M468 R470 N471 I491 A492 I496 N517 K518M468-N494 WeakPolarHBondContact CG-OD1 3.31Å; M468-N494 PolarHBondContact O-ND2 3.13Å; R470-N494 PolarHBondContact N-OD1 3.13Å; N471-N494 VanDerWaalsContact CB-OD1 3.31Å; N471-N494 WeakPolarHBondContact CB-OD1 3.21Å; N471-N494 PolarHBondContact N-OD1 3.13Å; N471-N494 PolarHBondContact ND2-OD1 3.09Å; N471-N494 WeakPolarHBondContact O-CA 3.43Å; N471-N494 WeakPolarHBondContact O-CB 3.46Å; I491-N494 VanDerWaalsContact CG2-ND2 3.31Å; I491-N494 WeakPolarHBondContact CG2-ND2 3.42Å; A492-N494 PolarHBondContact N-ND2 3.13Å; A492-N494 VanDerWaalsContact N-ND2 3.11Å; A492-N494 PolarHBondContact O-N 3.36Å; A492-N494 PolarHBondContact O-ND2 3.21Å; N494-I496 HydrophobicContact CB-CD1 4.35Å; N494-I496 HydrophobicContact CB-CG1 4.11Å; N494-N517 VanDerWaalsContact CB-OD1 3.31Å; N494-N517 WeakPolarHBondContact CB-OD1 3.38Å; N494-N517 PolarHBondContact N-OD1 3.08Å; N494-N517 PolarHBondContact ND2-OD1 3.1Å; N494-N517 CarbonylContact O-C 3.58Å; N494-N517 WeakPolarHBondContact O-CA 3.27Å; N494-N517 WeakPolarHBondContact O-CB 3.45Å; N494-K518 PolarHBondContact O-N 2.78Å
495N98.6Very high97.4Very high36 Ų3621.3 Ų21.319%0.19312%0.121CC..EExtended strand (participates in β ladder)trans-112.6109.7170.8-178.240.6000108.6N471 E472 V473 H497 H520N471-N495 PolarHBondContact O-N 3.49Å; E472-N495 VanDerWaalsContact CD-ND2 3.26Å; E472-N495 PolarHBondContact OE1-ND2 3.17Å; E472-N495 VanDerWaalsContact OE2-CB 3.23Å; E472-N495 WeakPolarHBondContact OE2-CB 3.13Å; E472-N495 PolarHBondContact OE2-ND2 2.83Å; V473-N495 PolarHBondContact N-O 3.38Å; N495-H497 PolarHBondContact ND2-CD2 3.01Å; N495-H520 PolarHBondContact OD1-NE2 3.41Å; N495-H520 VanDerWaalsContact OD1-NE2 3.13Å
496I98.7Very high97.5Very high1 Ų118.4 Ų18.41%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-119.8111.1-171.2-55.8177000107.7V473 V481 N494 N499 L504 K518 I519 H520V473-I496 HydrophobicContact CB-CB 4.47Å; V473-I496 HydrophobicContact CB-CG1 4.21Å; V473-I496 HydrophobicContact CB-CG2 4.26Å; V473-I496 HydrophobicContact CG1-CG2 4.34Å; V473-I496 HydrophobicContact CG2-CG1 4.41Å; V473-I496 CarbonylContact O-C 3.58Å; V473-I496 WeakPolarHBondContact O-CA 3.34Å; V481-I496 HydrophobicContact CG2-CD1 4.36Å; N494-I496 HydrophobicContact CB-CD1 4.35Å; N494-I496 HydrophobicContact CB-CG1 4.11Å; I496-N499 WeakPolarHBondContact CG2-ND2 3.27Å; I496-L504 HydrophobicContact CD1-CD1 4.41Å; I496-L504 HydrophobicContact CD1-CD2 3.55Å; I496-L504 HydrophobicContact CD1-CG 4Å; I496-K518 PolarHBondContact N-O 2.82Å; I496-I519 CarbonylContact O-C 3.55Å; I496-I519 VanDerWaalsContact O-CA 3.27Å; I496-I519 WeakPolarHBondContact O-CA 3.28Å; I496-H520 PolarHBondContact O-N 2.85Å
497H98.4Very high97.6Very high31 Ų3119.5 Ų19.514%0.14410%0.102CC..EExtended strand (participates in β ladder)trans-151.9164.3-172.270.488.1000115.6E472 V473 C474 E475 N495 N499 H520E472-H497 IonicContact OE1-CD2 2.62Å; E472-H497 IonicContact OE1-NE2 2.87Å; E472-H497 PolarHBondContact OE1-NE2 3.17Å; V473-H497 PolarHBondContact O-N 2.97Å; C474-H497 WeakPolarHBondContact CA-O 3.38Å; C474-H497 WeakPolarHBondContact CB-CE1 3.2Å; C474-H497 WeakPolarHBondContact CB-NE2 3.44Å; E475-H497 PolarHBondContact N-O 3.13Å; N495-H497 PolarHBondContact ND2-CD2 3.01Å; H497-N499 PolarHBondContact O-N 2.89Å; H497-N499 PolarHBondContact O-OD1 2.8Å; H497-H520 CarbonylContact C-O 3.51Å; H497-H520 WeakPolarHBondContact CA-O 3.01Å; H497-H520 WeakPolarHBondContact CB-CE1 3.34Å; H497-H520 WeakPolarHBondContact CB-O 3.42Å; H497-H520 AromaticContact CG-CE1 3.63Å; H497-H520 AromaticContact CG-NE2 3.91Å
498S97.4Very high97.4Very high48 Ų4824 Ų2434%0.33612%0.122SC..SBendtrans57.127.1171.7-53.90000114.5E475 H520 S521E475-S498 VanDerWaalsContact CA-O 3.27Å; E475-S498 WeakPolarHBondContact CA-O 3.46Å; E475-S498 PolarHBondContact N-O 2.88Å; S498-H520 PolarHBondContact N-O 2.9Å; S498-S521 VanDerWaalsContact CA-O 3.28Å; S498-S521 WeakPolarHBondContact CA-O 3.28Å; S498-S521 PolarHBondContact N-O 2.84Å
499N96.4Very high97.3Very high1 Ų121.2 Ų21.21%0.00512%0.115CC..  trans-86.1151.7177.6-59.6-47.6000110.9E475 C476 I496 H497 L523E475-N499 PolarHBondContact N-OD1 2.92Å; C476-N499 HydrophobicContact CB-CB 4.3Å; C476-N499 VanDerWaalsContact CB-OD1 3.26Å; C476-N499 WeakPolarHBondContact CB-OD1 3.17Å; C476-N499 PolarHBondContact N-OD1 3.29Å; C476-N499 CarbonylContact O-C 3.54Å; C476-N499 WeakPolarHBondContact O-CA 3.39Å; I496-N499 WeakPolarHBondContact CG2-ND2 3.27Å; H497-N499 PolarHBondContact O-N 2.89Å; H497-N499 PolarHBondContact O-OD1 2.8Å; N499-L523 PolarHBondContact O-N 3.4Å
500G95.1Very high97.4Very high19 Ų1921.1 Ų21.120%0.19611%0.114CC..SBendtrans-74.4-25.1-174.400000114.1C476 A478C476-G500 PolarHBondContact O-N 2.83Å; A478-G500 PolarHBondContact O-N 2.85Å
501E95.1Very high97.3Very high25 Ų2524.7 Ų24.712%0.11713%0.133CC..SBendtrans-118.2-130.2169.7-58.7-168138.400111.2A478 S479 R524A478-E501 HydrophobicContact CB-CG 4.49Å; A478-E501 PolarHBondContact O-N 2.87Å; A478-E501 VanDerWaalsContact O-N 3.08Å; S479-E501 PolarHBondContact OG-OE2 3.23Å; E501-R524 VanDerWaalsContact CG-CZ 3.49Å; E501-R524 PolarHBondContact O-N 2.82Å; E501-R524 IonicContact OE1-CZ 3.7Å; E501-R524 IonicContact OE1-NH1 3.78Å; E501-R524 PolarHBondContact OE1-NH1 3.44Å; E501-R524 IonicContact OE1-NH2 2.82Å; E501-R524 PolarHBondContact OE1-NH2 3.05Å
502A95.9Very high97.3Very high4 Ų424.8 Ų24.83%0.03313%0.134CC..  trans-79.1149.7-178.900000111.8S479 G480 D505 S525 V528S479-A502 CarbonylContact C-O 3.54Å; S479-A502 WeakPolarHBondContact CA-O 3.32Å; S479-A502 WeakPolarHBondContact CB-O 3.44Å; S479-A502 PolarHBondContact OG-N 2.89Å; G480-A502 PolarHBondContact N-O 3.05Å; A502-D505 HydrophobicContact CB-CB 4.37Å; A502-S525 WeakPolarHBondContact CA-O 3.42Å; A502-V528 HydrophobicContact CB-CB 4.28Å; A502-V528 HydrophobicContact CB-CG2 3.66Å
503G97.4Very high97.3Very high4 Ų425.3 Ų25.34%0.04114%0.136CC..SBendtrans-63.1-50.9167.300000110.9G480 V481 S525 G526G480-G503 WeakPolarHBondContact CA-O 3.4Å; G480-G503 PolarHBondContact N-O 2.78Å; V481-G503 PolarHBondContact N-O 3.16Å; G503-S525 PolarHBondContact N-O 3.34Å; G503-G526 VanDerWaalsContact CA-O 3.26Å; G503-G526 WeakPolarHBondContact CA-O 3.38Å; G503-G526 PolarHBondContact N-O 3.3Å
504L98.4Very high97.4Very high0 Ų021.5 Ų21.50%012%0.119CC..EExtended strand (participates in β ladder)trans-128.8130.5176.1-62.3176.1000110.2V481 I491 I496 I514 I519 G526 V527 V528V481-L504 HydrophobicContact CB-CD2 3.49Å; V481-L504 VanDerWaalsContact CB-CD2 3.49Å; V481-L504 HydrophobicContact CG1-CD2 4.31Å; V481-L504 HydrophobicContact CG2-CD2 3.69Å; V481-L504 WeakPolarHBondContact O-CA 3.49Å; I491-L504 HydrophobicContact CD1-CD2 4.12Å; I491-L504 HydrophobicContact CG2-CD2 4.46Å; I496-L504 HydrophobicContact CD1-CD1 4.41Å; I496-L504 HydrophobicContact CD1-CD2 3.55Å; I496-L504 HydrophobicContact CD1-CG 4Å; L504-I514 HydrophobicContact CD1-CB 4.43Å; L504-I514 HydrophobicContact CD1-CD1 3.72Å; L504-I514 HydrophobicContact CD1-CG1 4.03Å; L504-I514 HydrophobicContact CD1-CG2 3.51Å; L504-I519 HydrophobicContact CD1-CD1 3.58Å; L504-I519 HydrophobicContact CG-CD1 4.14Å; L504-G526 PolarHBondContact N-O 2.84Å; L504-V527 HydrophobicContact CB-CG1 4.28Å; L504-V527 HydrophobicContact CB-CG2 4.28Å; L504-V527 HydrophobicContact CD1-CG2 4.22Å; L504-V527 CarbonylContact O-C 3.53Å; L504-V527 WeakPolarHBondContact O-CA 3.42Å; L504-V528 PolarHBondContact O-N 3.45Å
505D97.9Very high97.4Very high2 Ų221.5 Ų21.51%0.01112%0.119CC..EExtended strand (participates in β ladder)trans-124.1117.1-180-172.4-5.1000110.9V481 F482 L483 A502 R507V481-D505 PolarHBondContact O-N 3Å; F482-D505 HydrophobicContact CD2-CB 3.89Å; F482-D505 WeakPolarHBondContact CD2-OD2 3.42Å; F482-D505 WeakPolarHBondContact CE2-OD2 3.38Å; L483-D505 PolarHBondContact N-O 3Å; A502-D505 HydrophobicContact CB-CB 4.37Å; D505-R507 WeakPolarHBondContact OD1-CG 3.48Å; D505-R507 IonicContact OD1-CZ 3.95Å; D505-R507 IonicContact OD1-NE 2.67Å; D505-R507 PolarHBondContact OD1-NE 3.31Å; D505-R507 IonicContact OD1-NH2 3.57Å; D505-R507 IonicContact OD2-CZ 3.83Å; D505-R507 IonicContact OD2-NE 3.76Å; D505-R507 PolarHBondContact OD2-NE 2.98Å; D505-R507 IonicContact OD2-NH2 3.55Å; D505-R507 PolarHBondContact OD2-NH2 3.26Å
506I98.4Very high97.4Very high0 Ų021 Ų210%012%0.118CC..EExtended strand (participates in β ladder)trans-119.4116.5-171.8-48.2173.9000109.8A510 P512 I514 V527 V528 V529 L530 K534I506-A510 HydrophobicContact CG2-CB 3.73Å; I506-A510 WeakPolarHBondContact CG2-O 3.47Å; I506-P512 HydrophobicContact CD1-CG 3.7Å; I506-P512 HydrophobicContact CG1-CG 4.06Å; I506-P512 HydrophobicContact CG2-CG 4.21Å; I506-I514 HydrophobicContact CD1-CD1 3.56Å; I506-V527 HydrophobicContact CD1-CG1 4.33Å; I506-V528 PolarHBondContact N-O 3.09Å; I506-V529 HydrophobicContact CB-CG1 4.44Å; I506-V529 HydrophobicContact CB-CG2 4.45Å; I506-V529 HydrophobicContact CD1-CG2 4.07Å; I506-V529 WeakPolarHBondContact O-CA 3.49Å; I506-L530 PolarHBondContact O-N 2.98Å; I506-K534 WeakPolarHBondContact CG2-O 3.28Å
507R96.9Very high97.4Very high72 Ų7221 Ų2127%0.27212%0.118SC..EExtended strand (participates in β ladder)trans-134.6159.9-170.8-52.3-163.4-179.4-172.48.1114.5F482 L483 R484 D505 G509 A510 L530F482-R507 HydrophobicContact CE2-CG 4.37Å; L483-R507 PolarHBondContact O-N 3.32Å; R484-R507 WeakPolarHBondContact CA-O 3.36Å; R484-R507 HydrophobicContact CB-CB 4.25Å; R484-R507 HydrophobicContact CG-CB 3.77Å; D505-R507 WeakPolarHBondContact OD1-CG 3.48Å; D505-R507 IonicContact OD1-CZ 3.95Å; D505-R507 IonicContact OD1-NE 2.67Å; D505-R507 PolarHBondContact OD1-NE 3.31Å; D505-R507 IonicContact OD1-NH2 3.57Å; D505-R507 IonicContact OD2-CZ 3.83Å; D505-R507 IonicContact OD2-NE 3.76Å; D505-R507 PolarHBondContact OD2-NE 2.98Å; D505-R507 IonicContact OD2-NH2 3.55Å; D505-R507 PolarHBondContact OD2-NH2 3.26Å; R507-G509 PolarHBondContact O-N 2.8Å; R507-A510 WeakPolarHBondContact O-CB 3.43Å; R507-A510 PolarHBondContact O-N 3.05Å; R507-L530 VanDerWaalsContact CA-O 3.26Å; R507-L530 WeakPolarHBondContact CA-O 3.31Å; R507-L530 HydrophobicContact CG-CD1 4.05Å; R507-L530 HydrophobicContact CG-CG 3.96Å
508K94.9Very high97.4Very high95 Ų9524.4 Ų24.441%0.41313%0.132SC..THydrogen-bonded Turntrans44.862.2166.3-58-167.6173.4-179.90113R484 L485 S486 A510 L530 G531R484-K508 HydrophobicContact CG-CB 3.64Å; R484-K508 HydrophobicContact CG-CD 3.9Å; R484-K508 HydrophobicContact CG-CG 3.77Å; R484-K508 VanDerWaalsContact CZ-CE 3.49Å; R484-K508 VanDerWaalsContact CZ-NZ 3.27Å; L485-K508 VanDerWaalsContact CA-O 3.27Å; L485-K508 WeakPolarHBondContact CA-O 3.38Å; L485-K508 HydrophobicContact CD2-CB 4.03Å; L485-K508 HydrophobicContact CD2-CD 3.68Å; L485-K508 PolarHBondContact N-O 2.93Å; L485-K508 VanDerWaalsContact N-O 3.13Å; S486-K508 PolarHBondContact N-O 2.94Å; K508-A510 PolarHBondContact O-N 3Å; K508-L530 PolarHBondContact N-O 3.22Å; K508-G531 WeakPolarHBondContact CA-O 3.26Å; K508-G531 PolarHBondContact N-O 3.06Å
509G94.9Very high97.4Very high25 Ų2522.2 Ų22.226%0.25812%0.117SC..THydrogen-bonded Turntrans75.10.2176.400000116.2R507 N532R507-G509 PolarHBondContact O-N 2.8Å; G509-N532 WeakPolarHBondContact CA-O 3.4Å; G509-N532 PolarHBondContact N-O 2.93Å
510A98.1Very high97.5Very high0 Ų023.3 Ų23.30%012%0.122CC..  trans-58.2140.9173.900000111.3L483 A487 I506 R507 K508 K534L483-A510 HydrophobicContact CB-CB 3.92Å; A487-A510 HydrophobicContact CB-CB 4.45Å; A487-A510 CarbonylContact O-C 3.59Å; A487-A510 VanDerWaalsContact O-CA 3.23Å; A487-A510 WeakPolarHBondContact O-CA 3.34Å; A487-A510 WeakPolarHBondContact O-CB 3.4Å; I506-A510 HydrophobicContact CG2-CB 3.73Å; I506-A510 WeakPolarHBondContact CG2-O 3.47Å; R507-A510 WeakPolarHBondContact O-CB 3.43Å; R507-A510 PolarHBondContact O-N 3.05Å; K508-A510 PolarHBondContact O-N 3Å; A510-K534 CarbonylContact O-C 3.52Å; A510-K534 WeakPolarHBondContact O-CA 3.22Å; A510-K534 PolarHBondContact O-N 2.99Å
511N97.8Very high97.6Very high76 Ų7624.4 Ų24.441%0.40613%0.127SC..EExtended strand (participates in β ladder)trans-140.366-171.8-171.138.5000112.2A487 K534 G535A487-N511 PolarHBondContact O-N 2.9Å; N511-K534 HydrophobicContact CB-CB 4.05Å; N511-K534 WeakPolarHBondContact OD1-CB 3.26Å; N511-G535 VanDerWaalsContact OD1-CA 3.24Å; N511-G535 WeakPolarHBondContact OD1-CA 3.47Å; N511-G535 PolarHBondContact OD1-N 2.84Å
512P98.3Very high97.6Very high1 Ų123.4 Ų23.41%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-81.2157.1177.133.8-35.4000113L483 I506 I514 G535 S536L483-P512 HydrophobicContact CD1-CG 4.36Å; L483-P512 HydrophobicContact CD2-CB 3.88Å; L483-P512 HydrophobicContact CD2-CG 4.1Å; I506-P512 HydrophobicContact CD1-CG 3.7Å; I506-P512 HydrophobicContact CG1-CG 4.06Å; I506-P512 HydrophobicContact CG2-CG 4.21Å; P512-I514 HydrophobicContact CB-CG1 4.35Å; P512-I514 HydrophobicContact CG-CD1 4Å; P512-I514 HydrophobicContact CG-CG1 4.31Å; P512-G535 CarbonylContact O-C 3.54Å; P512-G535 WeakPolarHBondContact O-CA 3.43Å; P512-S536 PolarHBondContact O-N 3.04Å
513I98.7Very high97.5Very high11 Ų1127.5 Ų27.56%0.05614%0.144CC..EExtended strand (participates in β ladder)trans-100.2119.2168.5-57.1174.8000108E411 A412 L415 G489 L490 I491 L515E411-I513 HydrophobicContact CB-CD1 4.39Å; E411-I513 HydrophobicContact CG-CD1 4.13Å; A412-I513 HydrophobicContact CB-CD1 4.24Å; A412-I513 HydrophobicContact CB-CG2 4.2Å; L415-I513 HydrophobicContact CD1-CD1 4.17Å; G489-I513 PolarHBondContact O-N 3.04Å; L490-I513 CarbonylContact C-O 3.54Å; L490-I513 WeakPolarHBondContact CA-O 3.42Å; L490-I513 HydrophobicContact CD1-CB 4.25Å; L490-I513 HydrophobicContact CD1-CG2 4Å; I491-I513 PolarHBondContact N-O 3.48Å; I513-L515 HydrophobicContact CG2-CD1 3.83Å; I513-L515 HydrophobicContact CG2-CD2 3.84Å; I513-L515 HydrophobicContact CG2-CG 3.72Å
514I98.8Very high97.4Very high0 Ų031.5 Ų31.50%016%0.158CC..EExtended strand (participates in β ladder)trans-120.4106.2-172.1-61.9160.6000108.9I491 L504 I506 P512 N517 S536 V537 R538 N540I491-I514 HydrophobicContact CB-CG1 4.36Å; I491-I514 HydrophobicContact CD1-CG1 4.43Å; I491-I514 CarbonylContact O-C 3.52Å; I491-I514 WeakPolarHBondContact O-CA 3.36Å; L504-I514 HydrophobicContact CD1-CB 4.43Å; L504-I514 HydrophobicContact CD1-CD1 3.72Å; L504-I514 HydrophobicContact CD1-CG1 4.03Å; L504-I514 HydrophobicContact CD1-CG2 3.51Å; I506-I514 HydrophobicContact CD1-CD1 3.56Å; P512-I514 HydrophobicContact CB-CG1 4.35Å; P512-I514 HydrophobicContact CG-CD1 4Å; P512-I514 HydrophobicContact CG-CG1 4.31Å; I514-N517 VanDerWaalsContact CG2-ND2 3.31Å; I514-N517 WeakPolarHBondContact CG2-ND2 3.08Å; I514-S536 PolarHBondContact N-O 3.45Å; I514-V537 HydrophobicContact CD1-CG2 4.02Å; I514-R538 PolarHBondContact O-N 3.01Å; I514-N540 PolarHBondContact O-ND2 2.83Å
515L98.5Very high97.4Very high0 Ų031.5 Ų31.50%016%0.158CC..EExtended strand (participates in β ladder)trans-125.1133.1-169.2-52.5179000113.9L402 E405 L406 A412 L490 I491 A492 E493 I513 N517 R538L402-L515 HydrophobicContact CD1-CB 4.09Å; L402-L515 HydrophobicContact CD1-CD1 4.33Å; E405-L515 HydrophobicContact CB-CD1 4.13Å; L406-L515 HydrophobicContact CD2-CD1 4.44Å; A412-L515 HydrophobicContact CB-CD1 4Å; L490-L515 HydrophobicContact CD1-CD1 3.82Å; L490-L515 HydrophobicContact CD1-CG 4.12Å; I491-L515 PolarHBondContact O-N 2.98Å; A492-L515 WeakPolarHBondContact CA-O 3.48Å; A492-L515 HydrophobicContact CB-CB 4.03Å; A492-L515 WeakPolarHBondContact CB-O 3.48Å; E493-L515 PolarHBondContact N-O 3.43Å; E493-L515 VanDerWaalsContact N-O 3.13Å; I513-L515 HydrophobicContact CG2-CD1 3.83Å; I513-L515 HydrophobicContact CG2-CD2 3.84Å; I513-L515 HydrophobicContact CG2-CG 3.72Å; L515-N517 PolarHBondContact N-ND2 3.1Å; L515-N517 PolarHBondContact O-N 3.24Å; L515-N517 PolarHBondContact O-ND2 3.5Å; L515-N517 VanDerWaalsContact O-ND2 3.1Å; L515-R538 WeakPolarHBondContact CA-O 3.19Å; L515-R538 HydrophobicContact CD2-CB 3.7Å; L515-R538 HydrophobicContact CD2-CG 4.2Å
516C98.5Very high97.4Very high26 Ų2631.4 Ų31.418%0.17616%0.157CC..SBendtrans55.428.4166.5-52.60000114.7L400 L402 E493 R538 S539 N540L400-C516 PolarHBondContact O-SG 3.39Å; L400-C516 VanDerWaalsContact O-SG 3.32Å; L402-C516 VanDerWaalsContact CA-SG 3.6Å; L402-C516 HydrophobicContact CB-CB 4.35Å; L402-C516 PolarHBondContact N-SG 2.95Å; E493-C516 WeakPolarHBondContact CA-O 3.43Å; E493-C516 HydrophobicContact CG-CB 4.39Å; C516-R538 PolarHBondContact N-O 3.17Å; C516-S539 VanDerWaalsContact CA-O 3.24Å; C516-S539 WeakPolarHBondContact CA-O 3.01Å; C516-S539 PolarHBondContact N-O 3.35Å; C516-N540 PolarHBondContact N-OD1 3.33Å
517N98.8Very high97.4Very high0 Ų031.4 Ų31.40%016%0.157CC..  trans-86.4156.6176.2-56-82.5000110.7I491 A492 E493 N494 I514 L515 I519 N540 L541I491-N517 PolarHBondContact O-ND2 2.95Å; A492-N517 WeakPolarHBondContact CA-OD1 3.36Å; E493-N517 PolarHBondContact N-OD1 3.29Å; N494-N517 VanDerWaalsContact CB-OD1 3.31Å; N494-N517 WeakPolarHBondContact CB-OD1 3.38Å; N494-N517 PolarHBondContact N-OD1 3.08Å; N494-N517 PolarHBondContact ND2-OD1 3.1Å; N494-N517 CarbonylContact O-C 3.58Å; N494-N517 WeakPolarHBondContact O-CA 3.27Å; N494-N517 WeakPolarHBondContact O-CB 3.45Å; I514-N517 VanDerWaalsContact CG2-ND2 3.31Å; I514-N517 WeakPolarHBondContact CG2-ND2 3.08Å; L515-N517 PolarHBondContact N-ND2 3.1Å; L515-N517 PolarHBondContact O-N 3.24Å; L515-N517 PolarHBondContact O-ND2 3.5Å; L515-N517 VanDerWaalsContact O-ND2 3.1Å; N517-I519 HydrophobicContact CB-CD1 4.41Å; N517-I519 HydrophobicContact CB-CG1 4.12Å; N517-N540 VanDerWaalsContact CB-OD1 3.31Å; N517-N540 WeakPolarHBondContact CB-OD1 3.35Å; N517-N540 PolarHBondContact N-OD1 3.34Å; N517-N540 PolarHBondContact ND2-OD1 3.23Å; N517-N540 WeakPolarHBondContact O-CA 3.32Å; N517-L541 PolarHBondContact O-N 3.49Å
518K98.8Very high97.5Very high104 Ų10428.8 Ų28.845%0.45215%0.149SC..EExtended strand (participates in β ladder)trans-102.3118.3165.1-63.6179.5-177176.20108N494 I496 L541N494-K518 PolarHBondContact O-N 2.78Å; I496-K518 PolarHBondContact N-O 2.82Å; K518-L541 CarbonylContact C-O 3.43Å; K518-L541 WeakPolarHBondContact CA-O 3.27Å; K518-L541 HydrophobicContact CG-CB 4.39Å; K518-L541 HydrophobicContact CG-CD1 4.3Å
519I98.7Very high97.6Very high1 Ų124.3 Ų24.31%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-125.2102.9-176.9-52.6175.4000108.8I496 L504 N517 G526 V527 L541 I542 Y543 N545I496-I519 CarbonylContact O-C 3.55Å; I496-I519 VanDerWaalsContact O-CA 3.27Å; I496-I519 WeakPolarHBondContact O-CA 3.28Å; L504-I519 HydrophobicContact CD1-CD1 3.58Å; L504-I519 HydrophobicContact CG-CD1 4.14Å; N517-I519 HydrophobicContact CB-CD1 4.41Å; N517-I519 HydrophobicContact CB-CG1 4.12Å; I519-G526 WeakPolarHBondContact CG2-O 3.23Å; I519-V527 HydrophobicContact CD1-CG2 3.59Å; I519-L541 PolarHBondContact N-O 2.81Å; I519-I542 HydrophobicContact CB-CG1 4.36Å; I519-I542 HydrophobicContact CD1-CG1 4.49Å; I519-I542 VanDerWaalsContact O-CA 3.31Å; I519-I542 WeakPolarHBondContact O-CA 3.27Å; I519-Y543 PolarHBondContact O-N 3.01Å; I519-N545 PolarHBondContact O-ND2 3.21Å; I519-N545 VanDerWaalsContact O-ND2 3.16Å
520H98.4Very high97.6Very high24 Ų2424.5 Ų24.511%0.11113%0.125CC..EExtended strand (participates in β ladder)trans-148.8165.4-167.369.884.9000116.6N495 I496 H497 S498 G522 Y543 N545N495-H520 PolarHBondContact OD1-NE2 3.41Å; N495-H520 VanDerWaalsContact OD1-NE2 3.13Å; I496-H520 PolarHBondContact O-N 2.85Å; H497-H520 CarbonylContact C-O 3.51Å; H497-H520 WeakPolarHBondContact CA-O 3.01Å; H497-H520 WeakPolarHBondContact CB-CE1 3.34Å; H497-H520 WeakPolarHBondContact CB-O 3.42Å; H497-H520 AromaticContact CG-CE1 3.63Å; H497-H520 AromaticContact CG-NE2 3.91Å; S498-H520 PolarHBondContact N-O 2.9Å; H520-G522 PolarHBondContact O-N 3.37Å; H520-Y543 WeakPolarHBondContact CA-O 3.05Å; H520-Y543 HydrophobicContact CB-CD1 3.85Å; H520-Y543 HydrophobicContact CB-CD2 3.74Å; H520-Y543 HydrophobicContact CB-CE1 3.66Å; H520-Y543 HydrophobicContact CB-CE2 3.51Å; H520-Y543 HydrophobicContact CB-CG 3.89Å; H520-Y543 VanDerWaalsContact CB-CZ 3.48Å; H520-Y543 WeakPolarHBondContact CB-O 3.29Å; H520-Y543 AromaticContact CD2-CE1 3.91Å; H520-Y543 AromaticContact CD2-CZ 3.52Å; H520-Y543 PolarHBondContact CD2-OH 2.98Å; H520-Y543 AromaticContact CG-CE1 3.96Å; H520-Y543 AromaticContact CG-CE2 3.71Å; H520-Y543 AromaticContact CG-CZ 3.44Å; H520-Y543 VanDerWaalsContact CG-CZ 3.44Å; H520-Y543 PolarHBondContact NE2-OH 3.23Å; H520-N545 VanDerWaalsContact C-OD1 3.31Å
521S97.2Very high97.3Very high43 Ų4325.6 Ų25.630%0.30114%0.136SC..SBendtrans57.320.4171.1-54.10000114.3S498 Y543 N544 N545S498-S521 VanDerWaalsContact CA-O 3.28Å; S498-S521 WeakPolarHBondContact CA-O 3.28Å; S498-S521 PolarHBondContact N-O 2.84Å; S521-Y543 PolarHBondContact N-O 2.82Å; S521-N544 WeakPolarHBondContact CA-O 3.39Å; S521-N544 PolarHBondContact N-O 3.02Å; S521-N545 PolarHBondContact N-OD1 2.98Å
522G94Very high97.1Very high4 Ų426.5 Ų26.54%0.04114%0.141CC..  trans-73.2151.2176.100000112H520 R524 N545 K546H520-G522 PolarHBondContact O-N 3.37Å; G522-R524 VanDerWaalsContact C-N 3.28Å; G522-N545 PolarHBondContact N-OD1 2.85Å; G522-K546 PolarHBondContact O-N 3.2Å
523L94.1Very high97Very high90 Ų9026.4 Ų26.447%0.47114%0.14SC..SBendtrans-76.4-16.2177.1-62.7-170.7000113.3N499 K546N499-L523 PolarHBondContact O-N 3.4Å; L523-K546 HydrophobicContact CD2-CD 3.99Å; L523-K546 WeakPolarHBondContact O-CB 3.33Å
524R96.1Very high96.8Very high88 Ų8830 Ų3033%0.33216%0.155SC..SBendtrans-124.3-146169.8-62-160.9-159.31509.5110.9E501 G522 E547E501-R524 VanDerWaalsContact CG-CZ 3.49Å; E501-R524 PolarHBondContact O-N 2.82Å; E501-R524 IonicContact OE1-CZ 3.7Å; E501-R524 IonicContact OE1-NH1 3.78Å; E501-R524 PolarHBondContact OE1-NH1 3.44Å; E501-R524 IonicContact OE1-NH2 2.82Å; E501-R524 PolarHBondContact OE1-NH2 3.05Å; G522-R524 VanDerWaalsContact C-N 3.28Å; R524-E547 HydrophobicContact CB-CG 4.33Å; R524-E547 WeakPolarHBondContact CB-OE2 3.47Å; R524-E547 PolarHBondContact O-N 3.25Å
525S97.2Very high96.6Very high0 Ų030.2 Ų30.20%016%0.157CC..  trans-74.1148.8-176.2-630000112.3A502 G503 E547 A548A502-S525 WeakPolarHBondContact CA-O 3.42Å; G503-S525 PolarHBondContact N-O 3.34Å; S525-E547 PolarHBondContact N-OE2 2.83Å; S525-E547 WeakPolarHBondContact OG-CB 3.19Å; S525-E547 PolarHBondContact OG-OE2 2.68Å; S525-A548 CarbonylContact C-O 3.6Å; S525-A548 WeakPolarHBondContact CA-O 3.28Å; S525-A548 VanDerWaalsContact CB-O 3.26Å; S525-A548 WeakPolarHBondContact CB-O 3.34Å; S525-A548 PolarHBondContact OG-N 3.08Å
526G97.9Very high96.6Very high0 Ų031.2 Ų31.20%017%0.165CC..SBendtrans-65-57179.400000112.2G503 L504 I519 A548 G549G503-G526 VanDerWaalsContact CA-O 3.26Å; G503-G526 WeakPolarHBondContact CA-O 3.38Å; G503-G526 PolarHBondContact N-O 3.3Å; L504-G526 PolarHBondContact N-O 2.84Å; I519-G526 WeakPolarHBondContact CG2-O 3.23Å; G526-A548 PolarHBondContact N-O 2.89Å; G526-G549 CarbonylContact C-O 3.59Å; G526-G549 VanDerWaalsContact CA-O 3.28Å; G526-G549 WeakPolarHBondContact CA-O 3.26Å; G526-G549 PolarHBondContact N-O 3.05Å
527V98.7Very high96.6Very high0 Ų030 Ų300%016%0.156CC..EExtended strand (participates in β ladder)trans-124.2132.4174.9-1770000109.3L504 I506 I519 V529 V537 I542 G549 V550 Y551L504-V527 HydrophobicContact CB-CG1 4.28Å; L504-V527 HydrophobicContact CB-CG2 4.28Å; L504-V527 HydrophobicContact CD1-CG2 4.22Å; L504-V527 CarbonylContact O-C 3.53Å; L504-V527 WeakPolarHBondContact O-CA 3.42Å; I506-V527 HydrophobicContact CD1-CG1 4.33Å; I519-V527 HydrophobicContact CD1-CG2 3.59Å; V527-V529 HydrophobicContact CG1-CG2 4.23Å; V527-V537 HydrophobicContact CG1-CG2 4.27Å; V527-I542 HydrophobicContact CG2-CD1 4.14Å; V527-G549 PolarHBondContact N-O 3.45Å; V527-V550 HydrophobicContact CB-CG2 4.36Å; V527-V550 CarbonylContact O-C 3.48Å; V527-V550 WeakPolarHBondContact O-CA 3.19Å; V527-Y551 PolarHBondContact O-N 2.91Å
528V98.4Very high96.6Very high17 Ų1731 Ų3110%0.10316%0.16CC..EExtended strand (participates in β ladder)trans-119.5132.6175.9-177.50000109.9A502 L504 I506 L530 Y551 L553A502-V528 HydrophobicContact CB-CB 4.28Å; A502-V528 HydrophobicContact CB-CG2 3.66Å; L504-V528 PolarHBondContact O-N 3.45Å; I506-V528 PolarHBondContact N-O 3.09Å; V528-L530 HydrophobicContact CG1-CD2 3.79Å; V528-Y551 CarbonylContact C-O 3.57Å; V528-Y551 WeakPolarHBondContact CA-O 3.44Å; V528-L553 HydrophobicContact CG1-CD2 3.71Å
529V98.4Very high96.6Very high0 Ų026.3 Ų26.30%014%0.14CC..EExtended strand (participates in β ladder)trans-128.1114.7177.9-1690000109.6I506 V527 G533 Y551 I552 L553 P558I506-V529 HydrophobicContact CB-CG1 4.44Å; I506-V529 HydrophobicContact CB-CG2 4.45Å; I506-V529 HydrophobicContact CD1-CG2 4.07Å; I506-V529 WeakPolarHBondContact O-CA 3.49Å; V527-V529 HydrophobicContact CG1-CG2 4.23Å; V529-G533 VanDerWaalsContact CG1-O 3.28Å; V529-G533 WeakPolarHBondContact CG1-O 3.12Å; V529-Y551 PolarHBondContact N-O 3.23Å; V529-I552 WeakPolarHBondContact O-CA 3.23Å; V529-L553 PolarHBondContact O-N 2.97Å; V529-P558 HydrophobicContact CB-CG 4.17Å; V529-P558 HydrophobicContact CG1-CB 4.24Å; V529-P558 HydrophobicContact CG1-CG 4.15Å; V529-P558 HydrophobicContact CG2-CB 4.13Å; V529-P558 HydrophobicContact CG2-CG 3.99Å
530L95.3Very high96.6Very high30 Ų3026.3 Ų26.316%0.15714%0.14CC..EExtended strand (participates in β ladder)trans-146.4162.2-176.572.891.1000116.2I506 R507 K508 V528 G533 L553 F554I506-L530 PolarHBondContact O-N 2.98Å; R507-L530 VanDerWaalsContact CA-O 3.26Å; R507-L530 WeakPolarHBondContact CA-O 3.31Å; R507-L530 HydrophobicContact CG-CD1 4.05Å; R507-L530 HydrophobicContact CG-CG 3.96Å; K508-L530 PolarHBondContact N-O 3.22Å; V528-L530 HydrophobicContact CG1-CD2 3.79Å; L530-G533 PolarHBondContact O-N 3.19Å; L530-G533 VanDerWaalsContact O-N 3.12Å; L530-L553 WeakPolarHBondContact CA-O 3.48Å; L530-L553 HydrophobicContact CB-CD2 3.81Å; L530-L553 HydrophobicContact CB-CG 3.68Å; L530-L553 WeakPolarHBondContact CB-O 3.14Å; L530-L553 HydrophobicContact CD2-CD1 4.42Å; L530-L553 HydrophobicContact CD2-CD2 4.14Å; L530-L553 HydrophobicContact CD2-CG 4.3Å; L530-F554 HydrophobicContact CB-CD2 4.39Å
531G91Very high96.6Very high23 Ų2327.8 Ų27.824%0.23715%0.149CC..SBendtrans60.458.2175.400000112.1K508 G533 F554K508-G531 WeakPolarHBondContact CA-O 3.26Å; K508-G531 PolarHBondContact N-O 3.06Å; G531-G533 PolarHBondContact O-N 3.14Å; G531-G533 VanDerWaalsContact O-N 3.11Å; G531-F554 WeakPolarHBondContact CA-O 3.27Å; G531-F554 PolarHBondContact N-O 3.28Å
532N93.1Very high96.7Very high94 Ų9425.8 Ų25.850%0.50314%0.135SC..SBendtrans58.318.4-173.2-56.6-29.8000114.3G509 F554 S555G509-N532 WeakPolarHBondContact CA-O 3.4Å; G509-N532 PolarHBondContact N-O 2.93Å; N532-F554 PolarHBondContact N-O 2.95Å; N532-S555 WeakPolarHBondContact OD1-CB 3.41Å
533G96Very high96.9Very high0 Ų027.9 Ų27.90%014%0.142CC..  trans-57.5140168.100000110.8V529 L530 G531 G556 N557V529-G533 VanDerWaalsContact CG1-O 3.28Å; V529-G533 WeakPolarHBondContact CG1-O 3.12Å; L530-G533 PolarHBondContact O-N 3.19Å; L530-G533 VanDerWaalsContact O-N 3.12Å; G531-G533 PolarHBondContact O-N 3.14Å; G531-G533 VanDerWaalsContact O-N 3.11Å; G533-G556 WeakPolarHBondContact O-CA 3.46Å; G533-N557 PolarHBondContact O-N 2.92Å
534K95.1Very high97Very high86 Ų8626.7 Ų26.737%0.37414%0.136SC..  trans-114.4-151.6177.2-62-175.6178.8-176.60108.4I506 A510 N511I506-K534 WeakPolarHBondContact CG2-O 3.28Å; A510-K534 CarbonylContact O-C 3.52Å; A510-K534 WeakPolarHBondContact O-CA 3.22Å; A510-K534 PolarHBondContact O-N 2.99Å; N511-K534 HydrophobicContact CB-CB 4.05Å; N511-K534 WeakPolarHBondContact OD1-CB 3.26Å
535G95Very high97Very high4 Ų422.7 Ų22.74%0.04112%0.121CC..  trans118.3161.5175.700000113.1N511 P512 P558 V559N511-G535 VanDerWaalsContact OD1-CA 3.24Å; N511-G535 WeakPolarHBondContact OD1-CA 3.47Å; N511-G535 PolarHBondContact OD1-N 2.84Å; P512-G535 CarbonylContact O-C 3.54Å; P512-G535 WeakPolarHBondContact O-CA 3.43Å; G535-P558 WeakPolarHBondContact O-CA 3.49Å; G535-V559 PolarHBondContact O-N 3.42Å
536S98.1Very high97Very high22 Ų2227.7 Ų27.715%0.15414%0.143CC..EExtended strand (participates in β ladder)trans-118.9109.7179-170.10000109.3P512 I514 R538 V559P512-S536 PolarHBondContact O-N 3.04Å; I514-S536 PolarHBondContact N-O 3.45Å; S536-R538 WeakPolarHBondContact OG-CD 3.02Å; S536-R538 VanDerWaalsContact OG-CG 3.32Å; S536-R538 WeakPolarHBondContact OG-CG 3.08Å; S536-R538 PolarHBondContact OG-NE 2.85Å; S536-V559 CarbonylContact C-O 3.6Å; S536-V559 WeakPolarHBondContact CA-O 3.33Å
537V98.8Very high96.9Very high0 Ų031.2 Ų31.20%016%0.159CC..EExtended strand (participates in β ladder)trans-104.1103.3179.7-1750000107.7I514 V527 N540 I542 V559 V560 S561 N563I514-V537 HydrophobicContact CD1-CG2 4.02Å; V527-V537 HydrophobicContact CG1-CG2 4.27Å; V537-N540 WeakPolarHBondContact CG1-ND2 3.2Å; V537-I542 HydrophobicContact CG1-CD1 4.44Å; V537-V559 PolarHBondContact N-O 3.16Å; V537-V560 HydrophobicContact CB-CG2 4.49Å; V537-V560 WeakPolarHBondContact O-CA 3.24Å; V537-S561 PolarHBondContact O-N 2.95Å; V537-N563 PolarHBondContact O-ND2 2.87Å
538R98.5Very high96.8Very high22 Ų2231.4 Ų31.48%0.08316%0.161CC..EExtended strand (participates in β ladder)trans-131.9141.6-172.5-44.2-174.8-86.4116.6-2.9115.1E405 D409 I514 L515 C516 S536 N540 S561E405-R538 IonicContact OE1-NH1 3.15Å; E405-R538 IonicContact OE2-CZ 3.95Å; E405-R538 IonicContact OE2-NH1 3.32Å; E405-R538 PolarHBondContact OE2-NH1 2.93Å; D409-R538 IonicContact OD2-CZ 3.6Å; D409-R538 IonicContact OD2-NH2 2.71Å; D409-R538 PolarHBondContact OD2-NH2 2.88Å; I514-R538 PolarHBondContact O-N 3.01Å; L515-R538 WeakPolarHBondContact CA-O 3.19Å; L515-R538 HydrophobicContact CD2-CB 3.7Å; L515-R538 HydrophobicContact CD2-CG 4.2Å; C516-R538 PolarHBondContact N-O 3.17Å; S536-R538 WeakPolarHBondContact OG-CD 3.02Å; S536-R538 VanDerWaalsContact OG-CG 3.32Å; S536-R538 WeakPolarHBondContact OG-CG 3.08Å; S536-R538 PolarHBondContact OG-NE 2.85Å; R538-N540 PolarHBondContact N-ND2 3.38Å; R538-N540 VanDerWaalsContact N-ND2 3.13Å; R538-N540 PolarHBondContact O-N 3.39Å; R538-N540 PolarHBondContact O-ND2 3.49Å; R538-S561 WeakPolarHBondContact CA-O 3.37Å; R538-S561 WeakPolarHBondContact CD-OG 3.07Å; R538-S561 VanDerWaalsContact CG-OG 3.26Å; R538-S561 WeakPolarHBondContact CG-OG 3.38Å
539S98.4Very high96.8Very high5 Ų530.8 Ų30.84%0.03516%0.157CC..SBendtrans52.629175.2-64.50000114.9L400 E405 C516 S561 G562 N563L400-S539 PolarHBondContact N-OG 2.77Å; E405-S539 WeakPolarHBondContact OE1-CB 3.08Å; E405-S539 PolarHBondContact OE1-OG 3.07Å; C516-S539 VanDerWaalsContact CA-O 3.24Å; C516-S539 WeakPolarHBondContact CA-O 3.01Å; C516-S539 PolarHBondContact N-O 3.35Å; S539-S561 PolarHBondContact N-O 2.88Å; S539-S561 VanDerWaalsContact N-O 3.16Å; S539-G562 WeakPolarHBondContact CA-O 3.02Å; S539-N563 PolarHBondContact N-OD1 2.82Å
540N98.8Very high96.8Very high0 Ų030.8 Ų30.80%016%0.157CC..  trans-89.2154178-57.5-82000111.6I514 C516 N517 V537 R538 I542 N563 C564I514-N540 PolarHBondContact O-ND2 2.83Å; C516-N540 PolarHBondContact N-OD1 3.33Å; N517-N540 VanDerWaalsContact CB-OD1 3.31Å; N517-N540 WeakPolarHBondContact CB-OD1 3.35Å; N517-N540 PolarHBondContact N-OD1 3.34Å; N517-N540 PolarHBondContact ND2-OD1 3.23Å; N517-N540 WeakPolarHBondContact O-CA 3.32Å; V537-N540 WeakPolarHBondContact CG1-ND2 3.2Å; R538-N540 PolarHBondContact N-ND2 3.38Å; R538-N540 VanDerWaalsContact N-ND2 3.13Å; R538-N540 PolarHBondContact O-N 3.39Å; R538-N540 PolarHBondContact O-ND2 3.49Å; N540-I542 HydrophobicContact CB-CD1 4.37Å; N540-I542 HydrophobicContact CB-CG1 4.08Å; N540-N563 VanDerWaalsContact CB-OD1 3.3Å; N540-N563 WeakPolarHBondContact CB-OD1 3.37Å; N540-N563 PolarHBondContact N-OD1 3.42Å; N540-N563 PolarHBondContact ND2-OD1 2.85Å; N540-N563 WeakPolarHBondContact O-CA 3.48Å; N540-C564 PolarHBondContact O-N 3Å
541L98.6Very high97Very high56 Ų5632.2 Ų32.229%0.29316%0.161SC..EExtended strand (participates in β ladder)trans-100.4111.1167.7-60.2-178.4000108.5P399 N517 K518 I519 Y543 C564P399-L541 HydrophobicContact CG-CD2 3.93Å; N517-L541 PolarHBondContact O-N 3.49Å; K518-L541 CarbonylContact C-O 3.43Å; K518-L541 WeakPolarHBondContact CA-O 3.27Å; K518-L541 HydrophobicContact CG-CB 4.39Å; K518-L541 HydrophobicContact CG-CD1 4.3Å; I519-L541 PolarHBondContact N-O 2.81Å; L541-Y543 HydrophobicContact CB-CD1 4.35Å; L541-Y543 HydrophobicContact CB-CE1 4.41Å; L541-C564 HydrophobicContact CD2-CB 3.79Å
542I98.6Very high97.3Very high0 Ų031.1 Ų31.10%015%0.15CC..EExtended strand (participates in β ladder)trans-120.1112.3-176.6-52.9176.8000108.8I519 V527 V537 N540 G549 V550 C564 I565 F566I519-I542 HydrophobicContact CB-CG1 4.36Å; I519-I542 HydrophobicContact CD1-CG1 4.49Å; I519-I542 VanDerWaalsContact O-CA 3.31Å; I519-I542 WeakPolarHBondContact O-CA 3.27Å; V527-I542 HydrophobicContact CG2-CD1 4.14Å; V537-I542 HydrophobicContact CG1-CD1 4.44Å; N540-I542 HydrophobicContact CB-CD1 4.37Å; N540-I542 HydrophobicContact CB-CG1 4.08Å; I542-G549 WeakPolarHBondContact CG2-O 3.11Å; I542-V550 HydrophobicContact CD1-CG2 3.69Å; I542-C564 PolarHBondContact N-O 2.93Å; I542-I565 HydrophobicContact CB-CG1 4.29Å; I542-I565 HydrophobicContact CB-CG2 4.46Å; I542-I565 HydrophobicContact CD1-CG1 4.43Å; I542-I565 CarbonylContact O-C 3.46Å; I542-I565 VanDerWaalsContact O-CA 3.23Å; I542-I565 WeakPolarHBondContact O-CA 3.47Å; I542-F566 PolarHBondContact O-N 2.8Å
543Y98.3Very high97.5Very high49 Ų4927.5 Ų27.519%0.19213%0.131CC..EExtended strand (participates in β ladder)trans-153.2162.3-170.964.3-85.2000115.5I519 H520 S521 L541 N545 F566I519-Y543 PolarHBondContact O-N 3.01Å; H520-Y543 WeakPolarHBondContact CA-O 3.05Å; H520-Y543 HydrophobicContact CB-CD1 3.85Å; H520-Y543 HydrophobicContact CB-CD2 3.74Å; H520-Y543 HydrophobicContact CB-CE1 3.66Å; H520-Y543 HydrophobicContact CB-CE2 3.51Å; H520-Y543 HydrophobicContact CB-CG 3.89Å; H520-Y543 VanDerWaalsContact CB-CZ 3.48Å; H520-Y543 WeakPolarHBondContact CB-O 3.29Å; H520-Y543 AromaticContact CD2-CE1 3.91Å; H520-Y543 AromaticContact CD2-CZ 3.52Å; H520-Y543 PolarHBondContact CD2-OH 2.98Å; H520-Y543 AromaticContact CG-CE1 3.96Å; H520-Y543 AromaticContact CG-CE2 3.71Å; H520-Y543 AromaticContact CG-CZ 3.44Å; H520-Y543 VanDerWaalsContact CG-CZ 3.44Å; H520-Y543 PolarHBondContact NE2-OH 3.23Å; S521-Y543 PolarHBondContact N-O 2.82Å; L541-Y543 HydrophobicContact CB-CD1 4.35Å; L541-Y543 HydrophobicContact CB-CE1 4.41Å; Y543-N545 PolarHBondContact O-N 3.32Å; Y543-N545 PolarHBondContact O-ND2 2.79Å; Y543-F566 WeakPolarHBondContact CA-O 3.07Å; Y543-F566 WeakPolarHBondContact CB-O 3.49Å; Y543-F566 AromaticContact CD1-CE1 4Å; Y543-F566 HydrophobicContact CD1-CE1 4Å; Y543-F566 HydrophobicContact CD1-CE2 4.45Å; Y543-F566 AromaticContact CD1-CZ 3.71Å; Y543-F566 HydrophobicContact CD1-CZ 3.71Å; Y543-F566 HydrophobicContact CD2-CE2 4.27Å; Y543-F566 HydrophobicContact CD2-CZ 4.28Å; Y543-F566 HydrophobicContact CE1-CZ 4.48Å; Y543-F566 HydrophobicContact CG-CE1 4.09Å; Y543-F566 AromaticContact CG-CE2 3.89Å; Y543-F566 HydrophobicContact CG-CE2 3.89Å; Y543-F566 AromaticContact CG-CZ 3.6Å; Y543-F566 HydrophobicContact CG-CZ 3.6Å
544N96.9Very high97.4Very high65 Ų6532.7 Ų32.735%0.34815%0.153SC..SBendtrans53.823.6176.4-70.2-17.9000115.1S521 F566 Q567S521-N544 WeakPolarHBondContact CA-O 3.39Å; S521-N544 PolarHBondContact N-O 3.02Å; N544-F566 PolarHBondContact N-O 2.66Å; N544-Q567 WeakPolarHBondContact CA-O 3.5Å; N544-Q567 PolarHBondContact N-O 3.11Å; N544-Q567 WeakPolarHBondContact OD1-CB 3.05Å; N544-Q567 PolarHBondContact OD1-O 2.86Å; N544-Q567 VanDerWaalsContact OD1-O 3.13Å
545N96.5Very high97.4Very high3 Ų330.4 Ų30.42%0.01615%0.148CC..  trans-81.5146173.6-63.6-59.7000109.4I519 H520 S521 G522 Y543 G568 Q569I519-N545 PolarHBondContact O-ND2 3.21Å; I519-N545 VanDerWaalsContact O-ND2 3.16Å; H520-N545 VanDerWaalsContact C-OD1 3.31Å; S521-N545 PolarHBondContact N-OD1 2.98Å; G522-N545 PolarHBondContact N-OD1 2.85Å; Y543-N545 PolarHBondContact O-N 3.32Å; Y543-N545 PolarHBondContact O-ND2 2.79Å; N545-G568 WeakPolarHBondContact O-CA 3.25Å; N545-Q569 PolarHBondContact O-N 3.39Å
546K96.4Very high97.5Very high106 Ų10630.2 Ų30.246%0.46115%0.146SC..SBendtrans-72.7-31.6-176.9-72.3-166.2179.3-176.50113.5G522 L523 Q569G522-K546 PolarHBondContact O-N 3.2Å; L523-K546 HydrophobicContact CD2-CD 3.99Å; L523-K546 WeakPolarHBondContact O-CB 3.33Å; K546-Q569 WeakPolarHBondContact O-CB 3.5Å
547E95.9Very high97.4Very high73 Ų7332.2 Ų32.234%0.34116%0.155SC..SBendtrans-104.2-146.1172.3-62.3174.9177.900110.3R524 S525R524-E547 HydrophobicContact CB-CG 4.33Å; R524-E547 WeakPolarHBondContact CB-OE2 3.47Å; R524-E547 PolarHBondContact O-N 3.25Å; S525-E547 PolarHBondContact N-OE2 2.83Å; S525-E547 WeakPolarHBondContact OG-CB 3.19Å; S525-E547 PolarHBondContact OG-OE2 2.68Å
548A97Very high97.4Very high5 Ų532.2 Ų32.24%0.04116%0.155CC..  trans-70.5146.7-176.400000111.8S525 G526 A571 A574S525-A548 CarbonylContact C-O 3.6Å; S525-A548 WeakPolarHBondContact CA-O 3.28Å; S525-A548 VanDerWaalsContact CB-O 3.26Å; S525-A548 WeakPolarHBondContact CB-O 3.34Å; S525-A548 PolarHBondContact OG-N 3.08Å; G526-A548 PolarHBondContact N-O 2.89Å; A548-A571 WeakPolarHBondContact CA-O 3.49Å; A548-A574 HydrophobicContact CB-CB 3.86Å
549G98.1Very high97.4Very high3 Ų333.9 Ų33.93%0.03117%0.168CC..SBendtrans-59.6-52.3170.200000110.9G526 V527 I542 A571 G572G526-G549 CarbonylContact C-O 3.59Å; G526-G549 VanDerWaalsContact CA-O 3.28Å; G526-G549 WeakPolarHBondContact CA-O 3.26Å; G526-G549 PolarHBondContact N-O 3.05Å; V527-G549 PolarHBondContact N-O 3.45Å; I542-G549 WeakPolarHBondContact CG2-O 3.11Å; G549-A571 PolarHBondContact N-O 3.11Å; G549-G572 VanDerWaalsContact CA-O 3.25Å; G549-G572 WeakPolarHBondContact CA-O 3.48Å; G549-G572 PolarHBondContact N-O 2.81Å
550V98.7Very high97.4Very high0 Ų033.7 Ų33.70%017%0.166CC..EExtended strand (participates in β ladder)trans-126.3127.9171.7-178.40000109.4V527 I542 I552 V560 I565 G572 I573 A574V527-V550 HydrophobicContact CB-CG2 4.36Å; V527-V550 CarbonylContact O-C 3.48Å; V527-V550 WeakPolarHBondContact O-CA 3.19Å; I542-V550 HydrophobicContact CD1-CG2 3.69Å; V550-I552 HydrophobicContact CG1-CG1 4.23Å; V550-V560 HydrophobicContact CG1-CG2 4.25Å; V550-V560 HydrophobicContact CG2-CG1 4.47Å; V550-I565 HydrophobicContact CG2-CD1 3.97Å; V550-G572 PolarHBondContact N-O 3.12Å; V550-I573 HydrophobicContact CB-CG1 4.32Å; V550-I573 HydrophobicContact CB-CG2 4.31Å; V550-I573 CarbonylContact O-C 3.39Å; V550-I573 VanDerWaalsContact O-CA 3.32Å; V550-I573 WeakPolarHBondContact O-CA 3.32Å; V550-A574 PolarHBondContact O-N 3.4Å
551Y98.4Very high97.4Very high60 Ų6034.6 Ų34.624%0.23517%0.173CC..EExtended strand (participates in β ladder)trans-119.7119.2179-161.3179.6000111.3V527 V528 V529 L553 A574 N576V527-Y551 PolarHBondContact O-N 2.91Å; V528-Y551 CarbonylContact C-O 3.57Å; V528-Y551 WeakPolarHBondContact CA-O 3.44Å; V529-Y551 PolarHBondContact N-O 3.23Å; Y551-L553 HydrophobicContact CD1-CD2 4.33Å; Y551-L553 HydrophobicContact CD2-CD2 4.12Å; Y551-L553 HydrophobicContact CE2-CB 4.35Å; Y551-L553 HydrophobicContact CE2-CD2 4.41Å; Y551-L553 HydrophobicContact CG-CD2 4.07Å; Y551-A574 HydrophobicContact CD2-CB 3.59Å; Y551-A574 WeakPolarHBondContact CD2-O 3.38Å; Y551-A574 HydrophobicContact CE2-CB 3.85Å; Y551-A574 HydrophobicContact CG-CB 4.27Å; Y551-N576 HydrophobicContact CE2-CB 3.96Å; Y551-N576 WeakPolarHBondContact CE2-ND2 3.17Å; Y551-N576 PolarHBondContact OH-ND2 2.94Å
552I98.6Very high97.4Very high0 Ų032.9 Ų32.90%017%0.168CC..EExtended strand (participates in β ladder)trans-112.7123179.1-48171.2000109.2V529 V550 G556 P558 A574 I575 N576 R580 I583V529-I552 WeakPolarHBondContact O-CA 3.23Å; V550-I552 HydrophobicContact CG1-CG1 4.23Å; I552-G556 WeakPolarHBondContact CG2-O 3.19Å; I552-P558 HydrophobicContact CD1-CG 3.55Å; I552-P558 HydrophobicContact CG1-CG 3.84Å; I552-P558 HydrophobicContact CG2-CG 4.38Å; I552-A574 PolarHBondContact N-O 2.88Å; I552-I575 HydrophobicContact CB-CG1 4.4Å; I552-I575 HydrophobicContact CB-CG2 4.5Å; I552-I575 HydrophobicContact CD1-CG1 4.09Å; I552-I575 WeakPolarHBondContact O-CA 3.26Å; I552-N576 PolarHBondContact O-N 2.81Å; I552-R580 WeakPolarHBondContact CG2-O 3.31Å; I552-I583 HydrophobicContact CD1-CD1 4.38Å
553L96.2Very high97.4Very high19 Ų1932.9 Ų32.910%0.09917%0.168CC..EExtended strand (participates in β ladder)trans-147.6165.3-177.663.4163.3000113V528 V529 L530 Y551 S555 G556 N576V528-L553 HydrophobicContact CG1-CD2 3.71Å; V529-L553 PolarHBondContact O-N 2.97Å; L530-L553 WeakPolarHBondContact CA-O 3.48Å; L530-L553 HydrophobicContact CB-CD2 3.81Å; L530-L553 HydrophobicContact CB-CG 3.68Å; L530-L553 WeakPolarHBondContact CB-O 3.14Å; L530-L553 HydrophobicContact CD2-CD1 4.42Å; L530-L553 HydrophobicContact CD2-CD2 4.14Å; L530-L553 HydrophobicContact CD2-CG 4.3Å; Y551-L553 HydrophobicContact CD1-CD2 4.33Å; Y551-L553 HydrophobicContact CD2-CD2 4.12Å; Y551-L553 HydrophobicContact CE2-CB 4.35Å; Y551-L553 HydrophobicContact CE2-CD2 4.41Å; Y551-L553 HydrophobicContact CG-CD2 4.07Å; L553-S555 PolarHBondContact O-N 2.74Å; L553-G556 PolarHBondContact O-N 2.7Å; L553-N576 VanDerWaalsContact CA-O 3.31Å; L553-N576 WeakPolarHBondContact CA-O 3.43Å
554F94.5Very high97.3Very high108 Ų10831.2 Ų31.247%0.47416%0.164SC..THydrogen-bonded Turntrans48.359.1175.5-56.7-59.1000113.3L530 G531 N532 G556 E577L530-F554 HydrophobicContact CB-CD2 4.39Å; G531-F554 WeakPolarHBondContact CA-O 3.27Å; G531-F554 PolarHBondContact N-O 3.28Å; N532-F554 PolarHBondContact N-O 2.95Å; F554-G556 PolarHBondContact O-N 3.46Å; F554-G556 VanDerWaalsContact O-N 3.11Å; F554-E577 WeakPolarHBondContact CA-O 3.42Å; F554-E577 HydrophobicContact CD1-CB 3.67Å; F554-E577 HydrophobicContact CD1-CG 4.18Å; F554-E577 HydrophobicContact CE1-CB 3.77Å; F554-E577 HydrophobicContact CE1-CG 3.74Å; F554-E577 HydrophobicContact CG-CB 4.34Å; F554-E577 HydrophobicContact CZ-CG 4.19Å; F554-E577 PolarHBondContact N-O 3.21Å
555S94.3Very high97.4Very high38 Ų3828.2 Ų28.227%0.26615%0.148SC..THydrogen-bonded Turntrans61.814.9179.5-53.60000115.8N532 L553 E577 N578N532-S555 WeakPolarHBondContact OD1-CB 3.41Å; L553-S555 PolarHBondContact O-N 2.74Å; S555-E577 PolarHBondContact N-O 3.04Å; S555-N578 WeakPolarHBondContact CA-O 3.3Å
556G97.3Very high97.5Very high0 Ų029.5 Ų29.50%015%0.153CC..  trans-54.5142.416700000111.2G533 I552 L553 F554 R580G533-G556 WeakPolarHBondContact O-CA 3.46Å; I552-G556 WeakPolarHBondContact CG2-O 3.19Å; L553-G556 PolarHBondContact O-N 2.7Å; F554-G556 PolarHBondContact O-N 3.46Å; F554-G556 VanDerWaalsContact O-N 3.11Å; G556-R580 CarbonylContact O-C 3.55Å; G556-R580 PolarHBondContact O-N 3.14Å; G556-R580 VanDerWaalsContact O-O 3.1Å
557N97.4Very high97.4Very high64 Ų6428.2 Ų28.234%0.34215%0.149SC..  trans-144.666.4-174.7-170.821.7000112.1G533 R580 G581G533-N557 PolarHBondContact O-N 2.92Å; N557-R580 HydrophobicContact CB-CB 4.28Å; N557-G581 VanDerWaalsContact OD1-CA 3.29Å; N557-G581 WeakPolarHBondContact OD1-CA 3.28Å; N557-G581 PolarHBondContact OD1-N 3.05Å
558P98.4Very high97.2Very high1 Ų124.9 Ų24.91%0.00613%0.134CC..  trans-82.9164.4178.135.2-35.2000112.6V529 G535 I552 V560 R580 G581 L582V529-P558 HydrophobicContact CB-CG 4.17Å; V529-P558 HydrophobicContact CG1-CB 4.24Å; V529-P558 HydrophobicContact CG1-CG 4.15Å; V529-P558 HydrophobicContact CG2-CB 4.13Å; V529-P558 HydrophobicContact CG2-CG 3.99Å; G535-P558 WeakPolarHBondContact O-CA 3.49Å; I552-P558 HydrophobicContact CD1-CG 3.55Å; I552-P558 HydrophobicContact CG1-CG 3.84Å; I552-P558 HydrophobicContact CG2-CG 4.38Å; P558-V560 HydrophobicContact CB-CG2 4.29Å; P558-V560 HydrophobicContact CG-CG2 4.04Å; P558-R580 WeakPolarHBondContact CD-O 3.34Å; P558-G581 WeakPolarHBondContact O-CA 3.32Å; P558-L582 PolarHBondContact O-N 3.47Å; P558-L582 VanDerWaalsContact O-N 3.12Å
559V98.5Very high97.1Very high57 Ų5730 Ų3035%0.34516%0.158SC..EExtended strand (participates in β ladder)trans-97.6122.8159.9179.90000108.1G535 S536 V537 L582G535-V559 PolarHBondContact O-N 3.42Å; S536-V559 CarbonylContact C-O 3.6Å; S536-V559 WeakPolarHBondContact CA-O 3.33Å; V537-V559 PolarHBondContact N-O 3.16Å; V559-L582 CarbonylContact C-O 3.57Å; V559-L582 WeakPolarHBondContact CA-O 3.35Å; V559-L582 HydrophobicContact CG2-CB 4.46Å
560V98.8Very high96.9Very high0 Ų031 Ų310%017%0.165CC..EExtended strand (participates in β ladder)trans-120.1108179.8-175.40000107.8V537 V550 P558 N563 I573 L582 I583 T584 N586V537-V560 HydrophobicContact CB-CG2 4.49Å; V537-V560 WeakPolarHBondContact O-CA 3.24Å; V550-V560 HydrophobicContact CG1-CG2 4.25Å; V550-V560 HydrophobicContact CG2-CG1 4.47Å; P558-V560 HydrophobicContact CB-CG2 4.29Å; P558-V560 HydrophobicContact CG-CG2 4.04Å; V560-N563 WeakPolarHBondContact CG1-ND2 3.45Å; V560-I573 HydrophobicContact CG1-CD1 4.3Å; V560-L582 PolarHBondContact N-O 3.48Å; V560-I583 HydrophobicContact CB-CG1 4.32Å; V560-I583 CarbonylContact O-C 3.6Å; V560-I583 WeakPolarHBondContact O-CA 3.12Å; V560-T584 PolarHBondContact O-N 3.45Å; V560-N586 PolarHBondContact O-ND2 3.38Å
561S98.4Very high96.8Very high19 Ų1931.3 Ų31.313%0.13317%0.168CC..EExtended strand (participates in β ladder)trans-139.9138.9-173.968.70000116.8V537 R538 S539 N563 T584V537-S561 PolarHBondContact O-N 2.95Å; R538-S561 WeakPolarHBondContact CA-O 3.37Å; R538-S561 WeakPolarHBondContact CD-OG 3.07Å; R538-S561 VanDerWaalsContact CG-OG 3.26Å; R538-S561 WeakPolarHBondContact CG-OG 3.38Å; S539-S561 PolarHBondContact N-O 2.88Å; S539-S561 VanDerWaalsContact N-O 3.16Å; S561-N563 PolarHBondContact N-ND2 3.23Å; S561-N563 PolarHBondContact O-N 3.14Å; S561-N563 PolarHBondContact O-ND2 2.79Å; S561-T584 WeakPolarHBondContact CA-O 3.34Å; S561-T584 WeakPolarHBondContact CB-O 3.29Å
562G97.5Very high96.7Very high20 Ų2028.5 Ų28.521%0.20616%0.157CC..SBendtrans66.415.8173.500000114.7S539 T584 E585 N586S539-G562 WeakPolarHBondContact CA-O 3.02Å; G562-T584 PolarHBondContact N-O 3.14Å; G562-E585 VanDerWaalsContact CA-O 3.27Å; G562-E585 WeakPolarHBondContact CA-O 3.36Å; G562-E585 PolarHBondContact N-O 3.01Å; G562-N586 PolarHBondContact N-OD1 2.87Å
563N98.6Very high96.7Very high0 Ų028.5 Ų28.50%016%0.157CC..  trans-84.1149.8179.7-54.5-81.9000110.8V537 S539 N540 V560 S561 I565 N586 V587V537-N563 PolarHBondContact O-ND2 2.87Å; S539-N563 PolarHBondContact N-OD1 2.82Å; N540-N563 VanDerWaalsContact CB-OD1 3.3Å; N540-N563 WeakPolarHBondContact CB-OD1 3.37Å; N540-N563 PolarHBondContact N-OD1 3.42Å; N540-N563 PolarHBondContact ND2-OD1 2.85Å; N540-N563 WeakPolarHBondContact O-CA 3.48Å; V560-N563 WeakPolarHBondContact CG1-ND2 3.45Å; S561-N563 PolarHBondContact N-ND2 3.23Å; S561-N563 PolarHBondContact O-N 3.14Å; S561-N563 PolarHBondContact O-ND2 2.79Å; N563-I565 HydrophobicContact CB-CG1 4.18Å; N563-N586 WeakPolarHBondContact CB-OD1 3.44Å; N563-N586 PolarHBondContact N-OD1 3.03Å; N563-N586 PolarHBondContact ND2-OD1 3.26Å; N563-N586 WeakPolarHBondContact O-CA 3.41Å; N563-V587 PolarHBondContact O-N 3.24Å
564C98Very high96.8Very high15 Ų1528 Ų2810%0.10116%0.155CC..EExtended strand (participates in β ladder)trans-101.1115.5164.8-68.70000109.6P399 N540 L541 I542 F566 V587P399-C564 VanDerWaalsContact CD-SG 3.59Å; P399-C564 HydrophobicContact CG-CB 4.29Å; P399-C564 WeakPolarHBondContact CG-SG 3.38Å; N540-C564 PolarHBondContact O-N 3Å; L541-C564 HydrophobicContact CD2-CB 3.79Å; I542-C564 PolarHBondContact N-O 2.93Å; C564-F566 HydrophobicContact CB-CD1 4.25Å; C564-F566 HydrophobicContact CB-CE1 4.4Å; C564-V587 CarbonylContact C-O 3.55Å; C564-V587 WeakPolarHBondContact CA-O 3.33Å
565I98.4Very high97Very high1 Ų122.8 Ų22.81%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-118110.7-176.8-51.7175.5000109.4I542 V550 N563 G572 I573 V587 I588 R589 N591I542-I565 HydrophobicContact CB-CG1 4.29Å; I542-I565 HydrophobicContact CB-CG2 4.46Å; I542-I565 HydrophobicContact CD1-CG1 4.43Å; I542-I565 CarbonylContact O-C 3.46Å; I542-I565 VanDerWaalsContact O-CA 3.23Å; I542-I565 WeakPolarHBondContact O-CA 3.47Å; V550-I565 HydrophobicContact CG2-CD1 3.97Å; N563-I565 HydrophobicContact CB-CG1 4.18Å; I565-G572 WeakPolarHBondContact CG2-O 3.4Å; I565-I573 HydrophobicContact CD1-CD1 3.76Å; I565-I573 HydrophobicContact CD1-CG1 3.55Å; I565-V587 PolarHBondContact N-O 3.23Å; I565-I588 HydrophobicContact CB-CG1 4.48Å; I565-I588 WeakPolarHBondContact O-CA 3.25Å; I565-R589 PolarHBondContact O-N 2.96Å; I565-N591 PolarHBondContact O-ND2 3.49Å
566F97.4Very high97Very high30 Ų3022 Ų2213%0.13213%0.125CC..EExtended strand (participates in β ladder)trans-149.9159.1-169.664.1-81.1000116.3I542 Y543 N544 C564 G568 R589I542-F566 PolarHBondContact O-N 2.8Å; Y543-F566 WeakPolarHBondContact CA-O 3.07Å; Y543-F566 WeakPolarHBondContact CB-O 3.49Å; Y543-F566 AromaticContact CD1-CE1 4Å; Y543-F566 HydrophobicContact CD1-CE1 4Å; Y543-F566 HydrophobicContact CD1-CE2 4.45Å; Y543-F566 AromaticContact CD1-CZ 3.71Å; Y543-F566 HydrophobicContact CD1-CZ 3.71Å; Y543-F566 HydrophobicContact CD2-CE2 4.27Å; Y543-F566 HydrophobicContact CD2-CZ 4.28Å; Y543-F566 HydrophobicContact CE1-CZ 4.48Å; Y543-F566 HydrophobicContact CG-CE1 4.09Å; Y543-F566 AromaticContact CG-CE2 3.89Å; Y543-F566 HydrophobicContact CG-CE2 3.89Å; Y543-F566 AromaticContact CG-CZ 3.6Å; Y543-F566 HydrophobicContact CG-CZ 3.6Å; N544-F566 PolarHBondContact N-O 2.66Å; C564-F566 HydrophobicContact CB-CD1 4.25Å; C564-F566 HydrophobicContact CB-CE1 4.4Å; F566-G568 PolarHBondContact O-N 3.17Å; F566-R589 WeakPolarHBondContact CA-O 3.07Å; F566-R589 HydrophobicContact CB-CG 3.75Å; F566-R589 WeakPolarHBondContact CB-O 3.43Å
567Q94.8Very high96.9Very high79 Ų7924.9 Ų24.937%0.36914%0.139SC..SBendtrans55.823.6174.4-65171.6-1100114.4N544 R589 E590 N591N544-Q567 WeakPolarHBondContact CA-O 3.5Å; N544-Q567 PolarHBondContact N-O 3.11Å; N544-Q567 WeakPolarHBondContact OD1-CB 3.05Å; N544-Q567 PolarHBondContact OD1-O 2.86Å; N544-Q567 VanDerWaalsContact OD1-O 3.13Å; Q567-R589 PolarHBondContact N-O 3.34Å; Q567-E590 VanDerWaalsContact CA-O 3.3Å; Q567-E590 WeakPolarHBondContact CA-O 3.43Å; Q567-E590 HydrophobicContact CG-CB 3.99Å; Q567-E590 WeakPolarHBondContact CG-OE2 3.26Å; Q567-E590 PolarHBondContact N-O 3.27Å; Q567-E590 PolarHBondContact NE2-OE2 3.3Å; Q567-N591 PolarHBondContact N-OD1 3.49Å
568G93Very high96.8Very high3 Ų326.2 Ų26.23%0.03115%0.146CC..  trans-73.2153.1170.900000112N545 F566 A570 N591 Q592N545-G568 WeakPolarHBondContact O-CA 3.25Å; F566-G568 PolarHBondContact O-N 3.17Å; G568-A570 VanDerWaalsContact C-N 3.32Å; G568-N591 WeakPolarHBondContact CA-OD1 3.21Å; G568-N591 PolarHBondContact N-OD1 2.74Å; G568-Q592 WeakPolarHBondContact O-CG 3.22Å; G568-Q592 PolarHBondContact O-N 2.94Å
569Q92.9Very high96.7Very high114 Ų11426.2 Ų26.253%0.53315%0.146SC..SBendtrans-83.2-8.3178.1-58.6-176.3300113.7N545 K546 Q592N545-Q569 PolarHBondContact O-N 3.39Å; K546-Q569 WeakPolarHBondContact O-CB 3.5Å; Q569-Q592 WeakPolarHBondContact O-CB 3.05Å
570A94.7Very high96.6Very high23 Ų2327.6 Ų27.619%0.1915%0.145CC..SBendtrans-123.8-146.3171.800000110.8G568 W593G568-A570 VanDerWaalsContact C-N 3.32Å; A570-W593 PolarHBondContact O-N 3.31Å
571A96.2Very high96.5Very high7 Ų727.8 Ų27.86%0.05815%0.147CC..  trans-71.2152179.200000112.2A548 G549 G594 D597A548-A571 WeakPolarHBondContact CA-O 3.49Å; G549-A571 PolarHBondContact N-O 3.11Å; A571-G594 WeakPolarHBondContact CA-O 3.08Å; A571-G594 WeakPolarHBondContact CB-O 3.02Å; A571-D597 HydrophobicContact CB-CB 4.08Å
572G97.7Very high96.5Very high0 Ų030 Ų300%016%0.157CC..SBendtrans-64.3-53.7171.500000111G549 V550 I565 G594 G595G549-G572 VanDerWaalsContact CA-O 3.25Å; G549-G572 WeakPolarHBondContact CA-O 3.48Å; G549-G572 PolarHBondContact N-O 2.81Å; V550-G572 PolarHBondContact N-O 3.12Å; I565-G572 WeakPolarHBondContact CG2-O 3.4Å; G572-G594 PolarHBondContact N-O 2.74Å; G572-G595 VanDerWaalsContact CA-O 3.25Å; G572-G595 WeakPolarHBondContact CA-O 3.43Å; G572-G595 PolarHBondContact N-O 2.84Å
573I98.6Very high96.5Very high0 Ų029.1 Ų29.10%015%0.147CC..EExtended strand (participates in β ladder)trans-127.9128.8173.4-53.8178.9000109.6V550 V560 I565 I575 I583 I588 G595 V596 D597V550-I573 HydrophobicContact CB-CG1 4.32Å; V550-I573 HydrophobicContact CB-CG2 4.31Å; V550-I573 CarbonylContact O-C 3.39Å; V550-I573 VanDerWaalsContact O-CA 3.32Å; V550-I573 WeakPolarHBondContact O-CA 3.32Å; V560-I573 HydrophobicContact CG1-CD1 4.3Å; I565-I573 HydrophobicContact CD1-CD1 3.76Å; I565-I573 HydrophobicContact CD1-CG1 3.55Å; I573-I575 HydrophobicContact CG2-CD1 3.68Å; I573-I575 HydrophobicContact CG2-CG1 4.27Å; I573-I583 HydrophobicContact CD1-CG2 3.55Å; I573-I583 HydrophobicContact CG2-CD1 4.07Å; I573-I588 HydrophobicContact CD1-CD1 3.62Å; I573-I588 HydrophobicContact CG1-CD1 3.91Å; I573-G595 PolarHBondContact N-O 2.83Å; I573-V596 HydrophobicContact CB-CG2 4.4Å; I573-V596 CarbonylContact O-C 3.58Å; I573-V596 VanDerWaalsContact O-CA 3.31Å; I573-V596 WeakPolarHBondContact O-CA 3.17Å; I573-D597 PolarHBondContact O-N 3.18Å
574A98.3Very high96.5Very high8 Ų830.1 Ų30.17%0.06615%0.154CC..EExtended strand (participates in β ladder)trans-113.5135173.800000110.7A548 V550 Y551 I552 D597A548-A574 HydrophobicContact CB-CB 3.86Å; V550-A574 PolarHBondContact O-N 3.4Å; Y551-A574 HydrophobicContact CD2-CB 3.59Å; Y551-A574 WeakPolarHBondContact CD2-O 3.38Å; Y551-A574 HydrophobicContact CE2-CB 3.85Å; Y551-A574 HydrophobicContact CG-CB 4.27Å; I552-A574 PolarHBondContact N-O 2.88Å; A574-D597 CarbonylContact C-O 3.52Å; A574-D597 WeakPolarHBondContact CA-O 3.05Å
575I98.2Very high96.4Very high0 Ų034 Ų340%017%0.171CC..EExtended strand (participates in β ladder)trans-130.1106.8178.9-54.294.2000108.9I552 I573 G579 I583 V596 D597 I598 R599 P604I552-I575 HydrophobicContact CB-CG1 4.4Å; I552-I575 HydrophobicContact CB-CG2 4.5Å; I552-I575 HydrophobicContact CD1-CG1 4.09Å; I552-I575 WeakPolarHBondContact O-CA 3.26Å; I573-I575 HydrophobicContact CG2-CD1 3.68Å; I573-I575 HydrophobicContact CG2-CG1 4.27Å; I575-G579 WeakPolarHBondContact CG2-O 2.94Å; I575-I583 HydrophobicContact CD1-CD1 3.82Å; I575-I583 HydrophobicContact CG1-CD1 4.12Å; I575-V596 HydrophobicContact CD1-CG1 3.76Å; I575-D597 PolarHBondContact N-O 3.07Å; I575-I598 HydrophobicContact CD1-CG1 4.24Å; I575-I598 WeakPolarHBondContact O-CA 3.2Å; I575-R599 PolarHBondContact O-N 2.9Å; I575-P604 HydrophobicContact CD1-CG 4.34Å; I575-P604 HydrophobicContact CG1-CB 4.36Å; I575-P604 HydrophobicContact CG1-CG 4.39Å; I575-P604 HydrophobicContact CG2-CG 4.5Å
576N94.9Very high96.4Very high21 Ų2134 Ų3411%0.11217%0.17CC..  trans-128.8170.2-174.8-68.6-19.8000112.1Y551 I552 L553 N578 G579 R599Y551-N576 HydrophobicContact CE2-CB 3.96Å; Y551-N576 WeakPolarHBondContact CE2-ND2 3.17Å; Y551-N576 PolarHBondContact OH-ND2 2.94Å; I552-N576 PolarHBondContact O-N 2.81Å; L553-N576 VanDerWaalsContact CA-O 3.31Å; L553-N576 WeakPolarHBondContact CA-O 3.43Å; N576-N578 PolarHBondContact O-N 3.05Å; N576-G579 WeakPolarHBondContact O-CA 3.36Å; N576-G579 PolarHBondContact O-N 3.33Å; N576-R599 WeakPolarHBondContact CA-O 3.5Å; N576-R599 WeakPolarHBondContact OD1-CB 3.05Å; N576-R599 PolarHBondContact OD1-N 3.21Å
577E94.5Very high96.4Very high60 Ų6032.7 Ų32.728%0.2817%0.165SC..THydrogen-bonded Turntrans48.256.6169-56.9-63.3167.900113.2F554 S555 G579 R600F554-E577 WeakPolarHBondContact CA-O 3.42Å; F554-E577 HydrophobicContact CD1-CB 3.67Å; F554-E577 HydrophobicContact CD1-CG 4.18Å; F554-E577 HydrophobicContact CE1-CB 3.77Å; F554-E577 HydrophobicContact CE1-CG 3.74Å; F554-E577 HydrophobicContact CG-CB 4.34Å; F554-E577 HydrophobicContact CZ-CG 4.19Å; F554-E577 PolarHBondContact N-O 3.21Å; S555-E577 PolarHBondContact N-O 3.04Å; E577-G579 PolarHBondContact O-N 2.68Å; E577-R600 WeakPolarHBondContact CA-O 3.21Å; E577-R600 PolarHBondContact N-O 2.96Å; E577-R600 WeakPolarHBondContact OE1-CD 3.15Å; E577-R600 IonicContact OE1-CZ 2.67Å; E577-R600 IonicContact OE1-NE 3.9Å; E577-R600 IonicContact OE1-NH1 2.87Å; E577-R600 PolarHBondContact OE1-NH1 3.41Å
578N94.8Very high96.6Very high93 Ų9329 Ų2950%0.49715%0.148SC..THydrogen-bonded Turntrans5921.6-176.4-47.7-60.2000115.1S555 N576 R600S555-N578 WeakPolarHBondContact CA-O 3.3Å; N576-N578 PolarHBondContact O-N 3.05Å; N578-R600 PolarHBondContact N-O 3.47Å; N578-R600 VanDerWaalsContact N-O 3.09Å
579G96.7Very high96.7Very high0 Ų032.6 Ų32.60%016%0.16CC..  trans-57.7143.6170.200000111.9I575 N576 E577 G602 D603I575-G579 WeakPolarHBondContact CG2-O 2.94Å; N576-G579 WeakPolarHBondContact O-CA 3.36Å; N576-G579 PolarHBondContact O-N 3.33Å; E577-G579 PolarHBondContact O-N 2.68Å; G579-G602 WeakPolarHBondContact O-CA 3.35Å; G579-D603 PolarHBondContact O-N 2.99Å
580R96.1Very high96.8Very high86 Ų8629.3 Ų29.333%0.32515%0.145SC..EExtended strand (participates in β ladder)trans-130.1-179.7-179.8-66.8-176.9-70.4-163.6-0.1109.3I552 G556 N557 P558 D603I552-R580 WeakPolarHBondContact CG2-O 3.31Å; G556-R580 CarbonylContact O-C 3.55Å; G556-R580 PolarHBondContact O-N 3.14Å; G556-R580 VanDerWaalsContact O-O 3.1Å; N557-R580 HydrophobicContact CB-CB 4.28Å; P558-R580 WeakPolarHBondContact CD-O 3.34Å; R580-D603 HydrophobicContact CG-CB 4.5Å
581G95.8Very high96.8Very high5 Ų528.3 Ų28.35%0.05214%0.136CC..EExtended strand (participates in β ladder)trans150.2159.3172.700000112.6N557 P558 I605N557-G581 VanDerWaalsContact OD1-CA 3.29Å; N557-G581 WeakPolarHBondContact OD1-CA 3.28Å; N557-G581 PolarHBondContact OD1-N 3.05Å; P558-G581 WeakPolarHBondContact O-CA 3.32Å; G581-I605 PolarHBondContact O-N 2.97Å
582L98.4Very high96.6Very high66 Ų6632.2 Ų32.235%0.34615%0.153SC..EExtended strand (participates in β ladder)trans-98.1110.517017762.7000108.6P558 V559 V560 T584 I605P558-L582 PolarHBondContact O-N 3.47Å; P558-L582 VanDerWaalsContact O-N 3.12Å; V559-L582 CarbonylContact C-O 3.57Å; V559-L582 WeakPolarHBondContact CA-O 3.35Å; V559-L582 HydrophobicContact CG2-CB 4.46Å; V560-L582 PolarHBondContact N-O 3.48Å; L582-T584 HydrophobicContact CG-CG2 4.39Å; L582-I605 HydrophobicContact CD1-CB 3.94Å; L582-I605 HydrophobicContact CD1-CG2 3.8Å
583I98.7Very high96.1Very high0 Ų040 Ų400%018%0.183CC..EExtended strand (participates in β ladder)trans-111.6104.7-178.4-58.3163.6000106.9I552 V560 I573 I575 N586 P604 I605 L606 K607 N609I552-I583 HydrophobicContact CD1-CD1 4.38Å; V560-I583 HydrophobicContact CB-CG1 4.32Å; V560-I583 CarbonylContact O-C 3.6Å; V560-I583 WeakPolarHBondContact O-CA 3.12Å; I573-I583 HydrophobicContact CD1-CG2 3.55Å; I573-I583 HydrophobicContact CG2-CD1 4.07Å; I575-I583 HydrophobicContact CD1-CD1 3.82Å; I575-I583 HydrophobicContact CG1-CD1 4.12Å; I583-N586 WeakPolarHBondContact CG2-ND2 3.42Å; I583-P604 HydrophobicContact CD1-CB 3.97Å; I583-I605 PolarHBondContact N-O 2.78Å; I583-L606 HydrophobicContact CB-CD2 3.76Å; I583-L606 HydrophobicContact CD1-CD2 3.83Å; I583-L606 HydrophobicContact CD1-CG 4.42Å; I583-L606 HydrophobicContact CG1-CD2 4.43Å; I583-L606 HydrophobicContact CG2-CD2 3.66Å; I583-L606 WeakPolarHBondContact O-CA 3.47Å; I583-K607 PolarHBondContact O-N 2.91Å; I583-N609 PolarHBondContact O-ND2 2.79Å
584T98.1Very high95.2Very high21 Ų2140.2 Ų40.213%0.12919%0.185CC..EExtended strand (participates in β ladder)trans-134.4140.1-170.5-169.50000114V560 S561 G562 L582 N586 K607V560-T584 PolarHBondContact O-N 3.45Å; S561-T584 WeakPolarHBondContact CA-O 3.34Å; S561-T584 WeakPolarHBondContact CB-O 3.29Å; G562-T584 PolarHBondContact N-O 3.14Å; L582-T584 HydrophobicContact CG-CG2 4.39Å; T584-N586 PolarHBondContact N-ND2 2.99Å; T584-N586 PolarHBondContact O-N 2.96Å; T584-N586 PolarHBondContact O-ND2 2.81Å; T584-N586 VanDerWaalsContact O-ND2 3.14Å; T584-K607 WeakPolarHBondContact CA-O 3.46Å; T584-K607 PolarHBondContact OG1-O 3.15Å
585E96.8Very high94.9Very high98 Ų9839.9 Ų39.946%0.45818%0.183SC..SBendtrans57.625172.3-58.6171.9-177.800114.5G562 K607 N608 N609G562-E585 VanDerWaalsContact CA-O 3.27Å; G562-E585 WeakPolarHBondContact CA-O 3.36Å; G562-E585 PolarHBondContact N-O 3.01Å; E585-K607 PolarHBondContact N-O 3.02Å; E585-K607 VanDerWaalsContact N-O 3.13Å; E585-N608 WeakPolarHBondContact CA-O 3.31Å; E585-N608 HydrophobicContact CG-CB 4.23Å; E585-N609 PolarHBondContact N-OD1 2.89Å
586N98.4Very high94.9Very high0 Ų039.9 Ų39.90%018%0.183CC..  trans-85.5149.4175.8-57.4-81.6000111V560 G562 N563 I583 T584 I588 N609 Y610V560-N586 PolarHBondContact O-ND2 3.38Å; G562-N586 PolarHBondContact N-OD1 2.87Å; N563-N586 WeakPolarHBondContact CB-OD1 3.44Å; N563-N586 PolarHBondContact N-OD1 3.03Å; N563-N586 PolarHBondContact ND2-OD1 3.26Å; N563-N586 WeakPolarHBondContact O-CA 3.41Å; I583-N586 WeakPolarHBondContact CG2-ND2 3.42Å; T584-N586 PolarHBondContact N-ND2 2.99Å; T584-N586 PolarHBondContact O-N 2.96Å; T584-N586 PolarHBondContact O-ND2 2.81Å; T584-N586 VanDerWaalsContact O-ND2 3.14Å; N586-I588 HydrophobicContact CB-CD1 4.49Å; N586-I588 HydrophobicContact CB-CG1 4.23Å; N586-N609 WeakPolarHBondContact CB-OD1 3.49Å; N586-N609 PolarHBondContact N-OD1 3.05Å; N586-N609 PolarHBondContact ND2-OD1 3.13Å; N586-N609 WeakPolarHBondContact O-CA 3.3Å; N586-Y610 PolarHBondContact O-N 3.49Å
587V97.8Very high95Very high3 Ų339.7 Ų39.72%0.01818%0.182CC..EExtended strand (participates in β ladder)trans-104.4111.2170.8-178.40000108.4T396 P397 N563 C564 I565T396-V587 HydrophobicContact CG2-CG1 3.94Å; P397-V587 WeakPolarHBondContact O-CG2 3.49Å; N563-V587 PolarHBondContact O-N 3.24Å; C564-V587 CarbonylContact C-O 3.55Å; C564-V587 WeakPolarHBondContact CA-O 3.33Å; I565-V587 PolarHBondContact N-O 3.23Å
588I98.1Very high95.2Very high1 Ų136.8 Ų36.81%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-117.2108.9-175.3-54.6173.9000108I565 I573 N586 N591 G595 V596 Y610 I611 C612I565-I588 HydrophobicContact CB-CG1 4.48Å; I565-I588 WeakPolarHBondContact O-CA 3.25Å; I573-I588 HydrophobicContact CD1-CD1 3.62Å; I573-I588 HydrophobicContact CG1-CD1 3.91Å; N586-I588 HydrophobicContact CB-CD1 4.49Å; N586-I588 HydrophobicContact CB-CG1 4.23Å; I588-N591 WeakPolarHBondContact CG2-ND2 3.25Å; I588-G595 WeakPolarHBondContact CG2-O 3.28Å; I588-V596 HydrophobicContact CD1-CG2 3.51Å; I588-Y610 PolarHBondContact N-O 2.81Å; I588-I611 HydrophobicContact CB-CG1 4.5Å; I588-I611 HydrophobicContact CD1-CG1 4.32Å; I588-I611 WeakPolarHBondContact O-CA 3.19Å; I588-C612 PolarHBondContact O-N 2.71Å
589R95.8Very high95.2Very high79 Ų7936.2 Ų36.230%0.29816%0.159SC..EExtended strand (participates in β ladder)trans-144.2156.3-172.867.5177.8176.2107.6-0.6116I565 F566 Q567 N591 C612I565-R589 PolarHBondContact O-N 2.96Å; F566-R589 WeakPolarHBondContact CA-O 3.07Å; F566-R589 HydrophobicContact CB-CG 3.75Å; F566-R589 WeakPolarHBondContact CB-O 3.43Å; Q567-R589 PolarHBondContact N-O 3.34Å; R589-N591 PolarHBondContact O-N 3.39Å; R589-N591 PolarHBondContact O-ND2 3.08Å; R589-C612 WeakPolarHBondContact CA-O 3.48Å; R589-C612 WeakPolarHBondContact CB-O 3.15Å
590E94.7Very high95Very high44 Ų4442.2 Ų42.221%0.20618%0.182CC..SBendtrans56.422.4171.9-61.5168.9-151.100114.4Q567 C612 Y613 Y615Q567-E590 VanDerWaalsContact CA-O 3.3Å; Q567-E590 WeakPolarHBondContact CA-O 3.43Å; Q567-E590 HydrophobicContact CG-CB 3.99Å; Q567-E590 WeakPolarHBondContact CG-OE2 3.26Å; Q567-E590 PolarHBondContact N-O 3.27Å; Q567-E590 PolarHBondContact NE2-OE2 3.3Å; E590-C612 PolarHBondContact N-O 3.48Å; E590-Y613 VanDerWaalsContact CA-O 3.29Å; E590-Y613 WeakPolarHBondContact CA-O 3.37Å; E590-Y613 PolarHBondContact N-O 3.16Å; E590-Y615 HydrophobicContact CB-CE2 4.29Å; E590-Y615 WeakPolarHBondContact O-CE2 3.48Å
591N94.1Very high94.7Very high2 Ų238.8 Ų38.81%0.01117%0.173CC..  trans-80.3145.1174-63.6-63.4000109.7I565 Q567 G568 I588 R589 Y615I565-N591 PolarHBondContact O-ND2 3.49Å; Q567-N591 PolarHBondContact N-OD1 3.49Å; G568-N591 WeakPolarHBondContact CA-OD1 3.21Å; G568-N591 PolarHBondContact N-OD1 2.74Å; I588-N591 WeakPolarHBondContact CG2-ND2 3.25Å; R589-N591 PolarHBondContact O-N 3.39Å; R589-N591 PolarHBondContact O-ND2 3.08Å; N591-Y615 WeakPolarHBondContact O-CD2 3.44Å; N591-Y615 PolarHBondContact O-N 2.9Å
592Q91.8Very high94.8Very high90 Ų9038.5 Ų38.542%0.42117%0.17SC..SBendtrans-68.6-35-173.7-67-58.3-41.500112.7G568 Q569G568-Q592 WeakPolarHBondContact O-CG 3.22Å; G568-Q592 PolarHBondContact O-N 2.94Å; Q569-Q592 WeakPolarHBondContact O-CB 3.05Å
593W87.3Confident94.6Very high162 Ų16238.2 Ų38.261%0.61417%0.169SC*.SBendtrans-107.5-166177.3-73.636000110.5A570 G595A570-W593 PolarHBondContact O-N 3.31Å; W593-G595 PolarHBondContact O-N 2.78Å
594G78.9Confident94.6Very high5 Ų538.2 Ų38.25%0.05217%0.169CC..  trans-48.7133.7-178.100000112.8A571 G572 V596 D617A571-G594 WeakPolarHBondContact CA-O 3.08Å; A571-G594 WeakPolarHBondContact CB-O 3.02Å; G572-G594 PolarHBondContact N-O 2.74Å; G594-V596 VanDerWaalsContact C-N 3.33Å; G594-V596 PolarHBondContact O-N 3.28Å; G594-D617 CarbonylContact C-O 3.51Å; G594-D617 WeakPolarHBondContact CA-O 3.22Å
595G92.6Very high94.6Very high2 Ų239.7 Ų39.72%0.02118%0.176CC..SBendtrans-55.1-50.817800000111.7G572 I573 I588 W593 D617 G618G572-G595 VanDerWaalsContact CA-O 3.25Å; G572-G595 WeakPolarHBondContact CA-O 3.43Å; G572-G595 PolarHBondContact N-O 2.84Å; I573-G595 PolarHBondContact N-O 2.83Å; I588-G595 WeakPolarHBondContact CG2-O 3.28Å; W593-G595 PolarHBondContact O-N 2.78Å; G595-D617 PolarHBondContact N-O 3.42Å; G595-G618 CarbonylContact C-O 3.54Å; G595-G618 WeakPolarHBondContact CA-O 3.46Å; G595-G618 PolarHBondContact N-O 3.29Å
596V98.3Very high94.7Very high0 Ų035 Ų350%015%0.154CC..EExtended strand (participates in β ladder)trans-126.7130.9169.6-178.50000109.8I573 I575 I588 G594 I598 L606 I611 G618 V619 V620I573-V596 HydrophobicContact CB-CG2 4.4Å; I573-V596 CarbonylContact O-C 3.58Å; I573-V596 VanDerWaalsContact O-CA 3.31Å; I573-V596 WeakPolarHBondContact O-CA 3.17Å; I575-V596 HydrophobicContact CD1-CG1 3.76Å; I588-V596 HydrophobicContact CD1-CG2 3.51Å; G594-V596 VanDerWaalsContact C-N 3.33Å; G594-V596 PolarHBondContact O-N 3.28Å; V596-I598 HydrophobicContact CG1-CG1 4.21Å; V596-L606 HydrophobicContact CG1-CD1 3.95Å; V596-L606 HydrophobicContact CG1-CD2 3.95Å; V596-L606 HydrophobicContact CG2-CD2 4.18Å; V596-I611 HydrophobicContact CB-CD1 4.49Å; V596-I611 HydrophobicContact CG2-CD1 3.73Å; V596-I611 HydrophobicContact CG2-CG1 4.44Å; V596-G618 PolarHBondContact N-O 3.37Å; V596-V619 CarbonylContact O-C 3.59Å; V596-V619 WeakPolarHBondContact O-CA 3.31Å; V596-V620 PolarHBondContact O-N 2.96Å
597D97.6Very high94.6Very high16 Ų1638.4 Ų38.49%0.08617%0.168CC..EExtended strand (participates in β ladder)trans-121.1119.3179.7-164.6-1.1000111.1A571 I573 A574 I575 R599A571-D597 HydrophobicContact CB-CB 4.08Å; I573-D597 PolarHBondContact O-N 3.18Å; A574-D597 CarbonylContact C-O 3.52Å; A574-D597 WeakPolarHBondContact CA-O 3.05Å; I575-D597 PolarHBondContact N-O 3.07Å; D597-R599 VanDerWaalsContact OD1-CG 3.26Å; D597-R599 WeakPolarHBondContact OD1-CG 3.43Å; D597-R599 IonicContact OD1-CZ 3.35Å; D597-R599 IonicContact OD1-NE 3.51Å; D597-R599 PolarHBondContact OD1-NE 3.18Å; D597-R599 IonicContact OD1-NH2 3.82Å; D597-R599 PolarHBondContact OD1-NH2 3.43Å; D597-R599 IonicContact OD2-CZ 3.96Å; D597-R599 IonicContact OD2-NE 3.57Å; D597-R599 PolarHBondContact OD2-NE 3.43Å; D597-R599 IonicContact OD2-NH2 3.41Å; D597-R599 PolarHBondContact OD2-NH2 3.08Å
598I97.6Very high94.6Very high0 Ų041.1 Ų41.10%018%0.183CC..EExtended strand (participates in β ladder)trans-117.7114.9-177.4-48170.1000108.7I575 V596 G602 P604 L606 V620 V621 G622 I629I575-I598 HydrophobicContact CD1-CG1 4.24Å; I575-I598 WeakPolarHBondContact O-CA 3.2Å; V596-I598 HydrophobicContact CG1-CG1 4.21Å; I598-G602 WeakPolarHBondContact CG2-O 3.28Å; I598-P604 HydrophobicContact CD1-CG 3.67Å; I598-P604 HydrophobicContact CG1-CG 3.99Å; I598-P604 HydrophobicContact CG2-CG 4.24Å; I598-L606 HydrophobicContact CD1-CD1 3.61Å; I598-L606 HydrophobicContact CG1-CD1 4.42Å; I598-V620 PolarHBondContact N-O 3.35Å; I598-V621 HydrophobicContact CD1-CG2 4.32Å; I598-V621 CarbonylContact O-C 3.45Å; I598-G622 PolarHBondContact O-N 3.36Å; I598-I629 HydrophobicContact CD1-CD1 4.46Å
599R94.8Very high94.6Very high80 Ų8041.1 Ų41.130%0.30218%0.183SC..  trans-140.2170.9-179.7-45.6-170179.2-158.75.4112.4I575 N576 D597 G601 G602I575-R599 PolarHBondContact O-N 2.9Å; N576-R599 WeakPolarHBondContact CA-O 3.5Å; N576-R599 WeakPolarHBondContact OD1-CB 3.05Å; N576-R599 PolarHBondContact OD1-N 3.21Å; D597-R599 VanDerWaalsContact OD1-CG 3.26Å; D597-R599 WeakPolarHBondContact OD1-CG 3.43Å; D597-R599 IonicContact OD1-CZ 3.35Å; D597-R599 IonicContact OD1-NE 3.51Å; D597-R599 PolarHBondContact OD1-NE 3.18Å; D597-R599 IonicContact OD1-NH2 3.82Å; D597-R599 PolarHBondContact OD1-NH2 3.43Å; D597-R599 IonicContact OD2-CZ 3.96Å; D597-R599 IonicContact OD2-NE 3.57Å; D597-R599 PolarHBondContact OD2-NE 3.43Å; D597-R599 IonicContact OD2-NH2 3.41Å; D597-R599 PolarHBondContact OD2-NH2 3.08Å; R599-G601 PolarHBondContact O-N 2.92Å; R599-G602 PolarHBondContact O-N 3.28Å
600R92.7Very high94.6Very high127 Ų12739.8 Ų39.848%0.47918%0.178SC..THydrogen-bonded Turntrans52.150.5165.9-55.6-175.5177.6-119.8-4.6112.8E577 N578 G602 E623E577-R600 WeakPolarHBondContact CA-O 3.21Å; E577-R600 PolarHBondContact N-O 2.96Å; E577-R600 WeakPolarHBondContact OE1-CD 3.15Å; E577-R600 IonicContact OE1-CZ 2.67Å; E577-R600 IonicContact OE1-NE 3.9Å; E577-R600 IonicContact OE1-NH1 2.87Å; E577-R600 PolarHBondContact OE1-NH1 3.41Å; N578-R600 PolarHBondContact N-O 3.47Å; N578-R600 VanDerWaalsContact N-O 3.09Å; R600-G602 VanDerWaalsContact C-N 3.32Å; R600-G602 PolarHBondContact O-N 3.23Å; R600-E623 PolarHBondContact N-O 2.93Å
601G91.6Very high94.8Very high13 Ų1337.7 Ų37.713%0.13417%0.169CC..THydrogen-bonded Turntrans81.72.6179.200000115.3R599 D603 R624R599-G601 PolarHBondContact O-N 2.92Å; G601-D603 PolarHBondContact O-N 3.26Å; G601-R624 VanDerWaalsContact CA-O 3.24Å; G601-R624 WeakPolarHBondContact CA-O 3.21Å; G601-R624 PolarHBondContact N-O 3.01Å
602G96.1Very high94.8Very high0 Ų037.6 Ų37.60%017%0.168CC..  trans-53.8134.217400000112G579 I598 R599 R600 R626G579-G602 WeakPolarHBondContact O-CA 3.35Å; I598-G602 WeakPolarHBondContact CG2-O 3.28Å; R599-G602 PolarHBondContact O-N 3.28Å; R600-G602 VanDerWaalsContact C-N 3.32Å; R600-G602 PolarHBondContact O-N 3.23Å; G602-R626 CarbonylContact O-C 3.59Å; G602-R626 WeakPolarHBondContact O-CA 3.27Å; G602-R626 PolarHBondContact O-N 3.28Å
603D95.9Very high95Very high59 Ų5937.8 Ų37.832%0.31617%0.165SC..EExtended strand (participates in β ladder)trans-138.567-174.6-170.126.3000111.5G579 R580 G601 R626 G627G579-D603 PolarHBondContact O-N 2.99Å; R580-D603 HydrophobicContact CG-CB 4.5Å; G601-D603 PolarHBondContact O-N 3.26Å; D603-R626 HydrophobicContact CB-CB 4.08Å; D603-R626 WeakPolarHBondContact OD1-CB 3.29Å; D603-G627 WeakPolarHBondContact OD1-CA 3.48Å; D603-G627 PolarHBondContact OD1-N 2.66Å
604P97.4Very high95.3Very high0 Ų030.2 Ų30.20%014%0.138CC..EExtended strand (participates in β ladder)trans-83.3166.8-179.234.9-36000113I575 I583 I598 L606 G627 L628I575-P604 HydrophobicContact CD1-CG 4.34Å; I575-P604 HydrophobicContact CG1-CB 4.36Å; I575-P604 HydrophobicContact CG1-CG 4.39Å; I575-P604 HydrophobicContact CG2-CG 4.5Å; I583-P604 HydrophobicContact CD1-CB 3.97Å; I598-P604 HydrophobicContact CD1-CG 3.67Å; I598-P604 HydrophobicContact CG1-CG 3.99Å; I598-P604 HydrophobicContact CG2-CG 4.24Å; P604-L606 HydrophobicContact CG-CD1 4.11Å; P604-L606 HydrophobicContact CG-CG 4.35Å; P604-G627 CarbonylContact O-C 3.55Å; P604-G627 WeakPolarHBondContact O-CA 3.28Å; P604-L628 PolarHBondContact O-N 3.33Å
605I98.3Very high96Very high53 Ų5334.9 Ų34.927%0.27215%0.154SC..EExtended strand (participates in β ladder)trans-106.4107.6162-52.6178.8000107.5G581 L582 I583 L628 R736G581-I605 PolarHBondContact O-N 2.97Å; L582-I605 HydrophobicContact CD1-CB 3.94Å; L582-I605 HydrophobicContact CD1-CG2 3.8Å; I583-I605 PolarHBondContact N-O 2.78Å; I605-L628 CarbonylContact C-O 3.53Å; I605-L628 WeakPolarHBondContact CA-O 3.32Å; I605-L628 HydrophobicContact CG2-CD2 4.4Å; I605-R736 VanDerWaalsContact CG1-NH2 3.33Å
606L98.1Very high96.2Very high0 Ų036.7 Ų36.70%017%0.167CC..EExtended strand (participates in β ladder)trans-99.9110.2175.5-73.2156000108.7I583 V596 I598 P604 L628 I629 E630 N632I583-L606 HydrophobicContact CB-CD2 3.76Å; I583-L606 HydrophobicContact CD1-CD2 3.83Å; I583-L606 HydrophobicContact CD1-CG 4.42Å; I583-L606 HydrophobicContact CG1-CD2 4.43Å; I583-L606 HydrophobicContact CG2-CD2 3.66Å; I583-L606 WeakPolarHBondContact O-CA 3.47Å; V596-L606 HydrophobicContact CG1-CD1 3.95Å; V596-L606 HydrophobicContact CG1-CD2 3.95Å; V596-L606 HydrophobicContact CG2-CD2 4.18Å; I598-L606 HydrophobicContact CD1-CD1 3.61Å; I598-L606 HydrophobicContact CG1-CD1 4.42Å; P604-L606 HydrophobicContact CG-CD1 4.11Å; P604-L606 HydrophobicContact CG-CG 4.35Å; L606-L628 PolarHBondContact N-O 3.1Å; L606-I629 HydrophobicContact CB-CG1 4.37Å; L606-I629 HydrophobicContact CD1-CG1 3.9Å; L606-I629 CarbonylContact O-C 3.52Å; L606-I629 WeakPolarHBondContact O-CA 3.42Å; L606-E630 PolarHBondContact O-N 2.57Å; L606-N632 PolarHBondContact O-ND2 2.94Å
607K97.9Very high96.1Very high70 Ų7037.8 Ų37.830%0.30417%0.173SC..EExtended strand (participates in β ladder)trans-128.8130.5-175-170169.1-176.3130.60113.4I583 T584 E585 N609 E630I583-K607 PolarHBondContact O-N 2.91Å; T584-K607 WeakPolarHBondContact CA-O 3.46Å; T584-K607 PolarHBondContact OG1-O 3.15Å; E585-K607 PolarHBondContact N-O 3.02Å; E585-K607 VanDerWaalsContact N-O 3.13Å; K607-N609 PolarHBondContact N-ND2 3.43Å; K607-N609 VanDerWaalsContact N-ND2 3.17Å; K607-N609 PolarHBondContact O-N 3.41Å; K607-N609 PolarHBondContact O-ND2 3.3Å; K607-E630 VanDerWaalsContact CA-O 3.27Å; K607-E630 WeakPolarHBondContact CA-O 3.31Å; K607-E630 IonicContact NZ-OE1 2.82Å; K607-E630 PolarHBondContact NZ-OE1 2.87Å; K607-E630 IonicContact NZ-OE2 3.19Å; K607-E630 PolarHBondContact NZ-OE2 3.47Å
608N96.4Very high96.1Very high61 Ų6137 Ų3733%0.32617%0.169SC..SBendtrans52.529.4172.2-57.4-22.3000114.8E585 E630 G631 N632E585-N608 WeakPolarHBondContact CA-O 3.31Å; E585-N608 HydrophobicContact CG-CB 4.23Å; N608-E630 PolarHBondContact N-O 2.79Å; N608-E630 VanDerWaalsContact N-O 3.1Å; N608-G631 WeakPolarHBondContact CA-O 3.47Å; N608-G631 PolarHBondContact OD1-O 3.45Å; N608-N632 PolarHBondContact N-OD1 3.33Å
609N97.9Very high96.1Very high0 Ų037 Ų370%017%0.169CC..  trans-85.2153.8177.1-58.4-81.4000110.9I583 E585 N586 K607 I611 N632 H633I583-N609 PolarHBondContact O-ND2 2.79Å; E585-N609 PolarHBondContact N-OD1 2.89Å; N586-N609 WeakPolarHBondContact CB-OD1 3.49Å; N586-N609 PolarHBondContact N-OD1 3.05Å; N586-N609 PolarHBondContact ND2-OD1 3.13Å; N586-N609 WeakPolarHBondContact O-CA 3.3Å; K607-N609 PolarHBondContact N-ND2 3.43Å; K607-N609 VanDerWaalsContact N-ND2 3.17Å; K607-N609 PolarHBondContact O-N 3.41Å; K607-N609 PolarHBondContact O-ND2 3.3Å; N609-I611 HydrophobicContact CB-CD1 4.5Å; N609-I611 HydrophobicContact CB-CG1 4.25Å; N609-N632 WeakPolarHBondContact CB-OD1 3.46Å; N609-N632 PolarHBondContact N-OD1 2.96Å; N609-N632 PolarHBondContact ND2-OD1 3.05Å; N609-N632 WeakPolarHBondContact O-CA 3.21Å; N609-H633 PolarHBondContact O-N 3.39Å
610Y97Very high96.2Very high51 Ų5133.6 Ų33.620%0.216%0.157CC..EExtended strand (participates in β ladder)trans-105.7108.8173.5-63.2-100.5000108.3P397 N586 I588 H633 Y635P397-Y610 VanDerWaalsContact CD-CE2 3.44Å; P397-Y610 HydrophobicContact CG-CD2 3.9Å; P397-Y610 HydrophobicContact CG-CE2 3.38Å; N586-Y610 PolarHBondContact O-N 3.49Å; I588-Y610 PolarHBondContact N-O 2.81Å; Y610-H633 HydrophobicContact CD1-CB 3.95Å; Y610-H633 HydrophobicContact CE1-CB 4.32Å; Y610-H633 AromaticContact CE1-CD2 3.89Å; Y610-H633 HydrophobicContact CG-CB 4.49Å; Y610-Y635 HydrophobicContact CD1-CE1 4.43Å
611I97.6Very high96.4Very high1 Ų127.6 Ų27.61%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-117.698.7-175-54174.7000107.8I588 V596 N609 G618 V619 H633 V634 Y635 N637I588-I611 HydrophobicContact CB-CG1 4.5Å; I588-I611 HydrophobicContact CD1-CG1 4.32Å; I588-I611 WeakPolarHBondContact O-CA 3.19Å; V596-I611 HydrophobicContact CB-CD1 4.49Å; V596-I611 HydrophobicContact CG2-CD1 3.73Å; V596-I611 HydrophobicContact CG2-CG1 4.44Å; N609-I611 HydrophobicContact CB-CD1 4.5Å; N609-I611 HydrophobicContact CB-CG1 4.25Å; I611-G618 WeakPolarHBondContact CG2-O 3.32Å; I611-V619 HydrophobicContact CD1-CG2 3.47Å; I611-V619 VanDerWaalsContact CD1-CG2 3.47Å; I611-H633 PolarHBondContact N-O 3.04Å; I611-V634 HydrophobicContact CB-CG1 4.47Å; I611-V634 HydrophobicContact CB-CG2 4.34Å; I611-V634 HydrophobicContact CD1-CG2 4.34Å; I611-V634 CarbonylContact O-C 3.54Å; I611-V634 VanDerWaalsContact O-CA 3.31Å; I611-V634 WeakPolarHBondContact O-CA 3.15Å; I611-Y635 PolarHBondContact O-N 3.11Å; I611-N637 PolarHBondContact O-ND2 3.03Å; I611-N637 VanDerWaalsContact O-ND2 3.15Å
612C95.6Very high96.4Very high0 Ų027 Ų270%013%0.128CC..EExtended strand (participates in β ladder)trans-146.5158.4-164.259.90000116.2I588 R589 E590 G614 Y635I588-C612 PolarHBondContact O-N 2.71Å; R589-C612 WeakPolarHBondContact CA-O 3.48Å; R589-C612 WeakPolarHBondContact CB-O 3.15Å; E590-C612 PolarHBondContact N-O 3.48Å; C612-G614 PolarHBondContact O-N 2.82Å; C612-Y635 WeakPolarHBondContact CA-O 3.22Å; C612-Y635 HydrophobicContact CB-CD1 3.71Å; C612-Y635 HydrophobicContact CB-CD2 3.86Å; C612-Y635 HydrophobicContact CB-CE1 3.41Å; C612-Y635 VanDerWaalsContact CB-CE1 3.41Å; C612-Y635 HydrophobicContact CB-CE2 3.59Å; C612-Y635 HydrophobicContact CB-CG 3.92Å; C612-Y635 WeakPolarHBondContact CB-O 3.37Å; C612-Y635 PolarHBondContact SG-OH 2.83Å
613Y94.6Very high96Very high93 Ų9329.3 Ų29.337%0.36514%0.139SC..SBendtrans53.925176.2-50.8-70.5000113.6E590 Y635 C636E590-Y613 VanDerWaalsContact CA-O 3.29Å; E590-Y613 WeakPolarHBondContact CA-O 3.37Å; E590-Y613 PolarHBondContact N-O 3.16Å; Y613-Y635 HydrophobicContact CD2-CE2 4.49Å; Y613-Y635 AromaticContact CE2-CE2 3.67Å; Y613-Y635 HydrophobicContact CE2-CE2 3.67Å; Y613-Y635 AromaticContact CZ-CE2 3.74Å; Y613-Y635 PolarHBondContact N-O 3.26Å; Y613-C636 VanDerWaalsContact CA-O 3.28Å; Y613-C636 WeakPolarHBondContact CA-O 3.49Å; Y613-C636 HydrophobicContact CD1-CB 3.48Å; Y613-C636 VanDerWaalsContact CD1-CB 3.48Å; Y613-C636 HydrophobicContact CE1-CB 3.41Å; Y613-C636 VanDerWaalsContact CE1-CB 3.41Å; Y613-C636 HydrophobicContact CG-CB 4.31Å; Y613-C636 PolarHBondContact N-O 2.78Å
614G94.1Very high95.7Very high3 Ų332.9 Ų32.93%0.03115%0.148CC..  trans-69.3150.217400000111.1C612 S616 N637 K638C612-G614 PolarHBondContact O-N 2.82Å; G614-S616 PolarHBondContact O-N 2.97Å; G614-N637 WeakPolarHBondContact CA-OD1 3.44Å; G614-N637 PolarHBondContact N-OD1 2.77Å; G614-K638 PolarHBondContact O-N 3.08Å
615Y95.1Very high95.5Very high103 Ų10332.9 Ų32.940%0.40415%0.148SC..SBendtrans-81-4.4177-67-82.4000113.3E590 N591 K638E590-Y615 HydrophobicContact CB-CE2 4.29Å; E590-Y615 WeakPolarHBondContact O-CE2 3.48Å; N591-Y615 WeakPolarHBondContact O-CD2 3.44Å; N591-Y615 PolarHBondContact O-N 2.9Å; Y615-K638 HydrophobicContact CD1-CD 3.92Å; Y615-K638 VanDerWaalsContact CD1-CE 3.48Å
616S95.4Very high95.3Very high40 Ų4034.9 Ų34.928%0.2815%0.152SC..SBendtrans-133.1-150.5178-1700000110.1G614 N637 G639G614-S616 PolarHBondContact O-N 2.97Å; S616-N637 WeakPolarHBondContact O-CB 3.34Å; S616-G639 PolarHBondContact O-N 2.83Å
617D96.9Very high95Very high23 Ų2335 Ų3512%0.12315%0.153CC..  trans-68.7152.4177.3-56.2-47.2000111.8G594 G595 V620 C640 W643G594-D617 CarbonylContact C-O 3.51Å; G594-D617 WeakPolarHBondContact CA-O 3.22Å; G595-D617 PolarHBondContact N-O 3.42Å; D617-V620 HydrophobicContact CB-CG2 3.78Å; D617-C640 CarbonylContact C-O 3.56Å; D617-C640 VanDerWaalsContact CA-O 3.22Å; D617-C640 WeakPolarHBondContact CA-O 3.37Å; D617-C640 WeakPolarHBondContact OD1-CB 3.41Å; D617-C640 PolarHBondContact OD1-N 2.91Å; D617-C640 PolarHBondContact OD1-SG 2.84Å; D617-W643 HydrophobicContact CB-CB 4.4Å
618G97.3Very high94.9Very high0 Ų032.4 Ų32.40%014%0.143CC..SBendtrans-70.2-63.5177.100000112.2G595 V596 I611 C640 G641G595-G618 CarbonylContact C-O 3.54Å; G595-G618 WeakPolarHBondContact CA-O 3.46Å; G595-G618 PolarHBondContact N-O 3.29Å; V596-G618 PolarHBondContact N-O 3.37Å; I611-G618 WeakPolarHBondContact CG2-O 3.32Å; G618-C640 PolarHBondContact N-O 3.18Å; G618-G641 CarbonylContact C-O 3.49Å; G618-G641 WeakPolarHBondContact CA-O 3.32Å; G618-G641 PolarHBondContact N-O 2.87Å
619V98.2Very high95Very high1 Ų129.6 Ų29.61%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-121127.7176.2-177.60000109.8V596 I611 V621 I629 V634 G641 V642 W643V596-V619 CarbonylContact O-C 3.59Å; V596-V619 WeakPolarHBondContact O-CA 3.31Å; I611-V619 HydrophobicContact CD1-CG2 3.47Å; I611-V619 VanDerWaalsContact CD1-CG2 3.47Å; V619-V621 HydrophobicContact CG1-CG2 4.26Å; V619-I629 HydrophobicContact CG1-CD1 4.11Å; V619-V634 HydrophobicContact CG2-CG2 4.2Å; V619-G641 PolarHBondContact N-O 2.8Å; V619-V642 HydrophobicContact CB-CG1 4.33Å; V619-V642 HydrophobicContact CB-CG2 4.18Å; V619-V642 CarbonylContact O-C 3.59Å; V619-V642 VanDerWaalsContact O-CA 3.32Å; V619-V642 WeakPolarHBondContact O-CA 3.4Å; V619-W643 PolarHBondContact O-N 2.87Å
620V97Very high94.9Very high8 Ų832.5 Ų32.55%0.04814%0.141CC..EExtended strand (participates in β ladder)trans-111.5122.6175.7-177.60000109.1V596 I598 D617 W643 M645V596-V620 PolarHBondContact O-N 2.96Å; I598-V620 PolarHBondContact N-O 3.35Å; D617-V620 HydrophobicContact CB-CG2 3.78Å; V620-W643 CarbonylContact C-O 3.58Å; V620-W643 WeakPolarHBondContact CA-O 3.42Å; V620-W643 HydrophobicContact CG2-CB 4.43Å; V620-M645 HydrophobicContact CG1-CE 3.83Å
621V96.3Very high94.8Very high0 Ų030.7 Ų30.70%014%0.138CC..EExtended strand (participates in β ladder)trans-110.986.4172.9-166.80000108.4I598 V619 I629 W643 V644 M645 S648 P650I598-V621 HydrophobicContact CD1-CG2 4.32Å; I598-V621 CarbonylContact O-C 3.45Å; V619-V621 HydrophobicContact CG1-CG2 4.26Å; V621-I629 HydrophobicContact CG2-CD1 3.99Å; V621-W643 PolarHBondContact N-O 2.8Å; V621-V644 HydrophobicContact CB-CG1 4.43Å; V621-V644 HydrophobicContact CB-CG2 4.38Å; V621-V644 HydrophobicContact CG2-CG2 4.4Å; V621-M645 PolarHBondContact O-N 2.83Å; V621-S648 PolarHBondContact O-OG 2.67Å; V621-S648 VanDerWaalsContact O-OG 3.12Å; V621-P650 HydrophobicContact CG1-CB 4.16Å; V621-P650 HydrophobicContact CG1-CG 4.19Å; V621-P650 HydrophobicContact CG2-CB 4.22Å; V621-P650 HydrophobicContact CG2-CG 4.39Å
622G92.1Very high94.8Very high0 Ų030.7 Ų30.70%014%0.138CC..  trans-78.5-179.9-18000000114.4I598 R624 G625 M645 S648I598-G622 PolarHBondContact O-N 3.36Å; G622-R624 PolarHBondContact O-N 3.02Å; G622-G625 VanDerWaalsContact O-CA 3.29Å; G622-G625 WeakPolarHBondContact O-CA 3.47Å; G622-G625 PolarHBondContact O-N 2.9Å; G622-M645 VanDerWaalsContact CA-SD 3.57Å; G622-S648 PolarHBondContact O-OG 3.25Å
623E87.6Confident94.8Very high50 Ų5032.1 Ų32.123%0.23415%0.145CC..THydrogen-bonded Turntrans-37.6126.2-172.4-170.3-160144.300113.9R600 G625 R670R600-E623 PolarHBondContact N-O 2.93Å; E623-G625 PolarHBondContact O-N 3.43Å; E623-G625 VanDerWaalsContact O-N 3.08Å; E623-R670 IonicContact OE1-NH1 3.7Å; E623-R670 IonicContact OE2-CZ 3.29Å; E623-R670 IonicContact OE2-NH1 2.93Å; E623-R670 IonicContact OE2-NH2 2.77Å; E623-R670 PolarHBondContact OE2-NH2 2.72Å
624R89.9Confident94.9Very high134 Ų13427.8 Ų27.851%0.50613%0.128SC..THydrogen-bonded Turntrans6012.1-179.4-68.6177.6-82.3150.9-6114.2G601 G622 S647G601-R624 VanDerWaalsContact CA-O 3.24Å; G601-R624 WeakPolarHBondContact CA-O 3.21Å; G601-R624 PolarHBondContact N-O 3.01Å; G622-R624 PolarHBondContact O-N 3.02Å; R624-S647 WeakPolarHBondContact CA-O 3.3Å
625G92.9Very high95Very high0 Ų027.7 Ų27.70%013%0.127CC..  trans-67.1141.1175.900000111.3G622 E623 S648 L649G622-G625 VanDerWaalsContact O-CA 3.29Å; G622-G625 WeakPolarHBondContact O-CA 3.47Å; G622-G625 PolarHBondContact O-N 2.9Å; E623-G625 PolarHBondContact O-N 3.43Å; E623-G625 VanDerWaalsContact O-N 3.08Å; G625-S648 CarbonylContact O-C 3.58Å; G625-S648 VanDerWaalsContact O-CA 3.23Å; G625-S648 WeakPolarHBondContact O-CA 3.32Å; G625-S648 WeakPolarHBondContact O-CB 3.27Å; G625-L649 PolarHBondContact O-N 2.67Å
626R92.8Very high95Very high94 Ų9424.2 Ų24.236%0.35512%0.117SC..  trans-131.7-160.5180-63-179.8178.6-89.9-0.3108.6G602 D603 L649G602-R626 CarbonylContact O-C 3.59Å; G602-R626 WeakPolarHBondContact O-CA 3.27Å; G602-R626 PolarHBondContact O-N 3.28Å; D603-R626 HydrophobicContact CB-CB 4.08Å; D603-R626 WeakPolarHBondContact OD1-CB 3.29Å; R626-L649 VanDerWaalsContact NH1-CD1 3.34Å
627G92.4Very high95Very high3 Ų322.3 Ų22.33%0.03110%0.104CC..  trans115.5159.1176.800000113.7D603 P604 Q651D603-G627 WeakPolarHBondContact OD1-CA 3.48Å; D603-G627 PolarHBondContact OD1-N 2.66Å; P604-G627 CarbonylContact O-C 3.55Å; P604-G627 WeakPolarHBondContact O-CA 3.28Å; G627-Q651 PolarHBondContact O-N 3.32Å
628L95.9Very high95Very high16 Ų1627 Ų278%0.08412%0.123CC..EExtended strand (participates in β ladder)trans-98.6121.1169.3173.864.9000108.5P604 I605 L606 E630 Q651 L653P604-L628 PolarHBondContact O-N 3.33Å; I605-L628 CarbonylContact C-O 3.53Å; I605-L628 WeakPolarHBondContact CA-O 3.32Å; I605-L628 HydrophobicContact CG2-CD2 4.4Å; L606-L628 PolarHBondContact N-O 3.1Å; L628-E630 HydrophobicContact CD1-CB 4.24Å; L628-E630 HydrophobicContact CD2-CB 4.32Å; L628-E630 HydrophobicContact CG-CB 4.06Å; L628-Q651 HydrophobicContact CD1-CB 3.9Å; L628-L653 HydrophobicContact CD1-CB 4.48Å; L628-L653 HydrophobicContact CD1-CD1 3.56Å; L628-L653 HydrophobicContact CD1-CG 3.82Å
629I97.8Very high95Very high2 Ų227.3 Ų27.31%0.0113%0.126CC..EExtended strand (participates in β ladder)trans-112.499.3176.4-56.9164.8000105.8I598 L606 V619 V621 N632 P650 Q651 L652 L653 N655I598-I629 HydrophobicContact CD1-CD1 4.46Å; L606-I629 HydrophobicContact CB-CG1 4.37Å; L606-I629 HydrophobicContact CD1-CG1 3.9Å; L606-I629 CarbonylContact O-C 3.52Å; L606-I629 WeakPolarHBondContact O-CA 3.42Å; V619-I629 HydrophobicContact CG1-CD1 4.11Å; V621-I629 HydrophobicContact CG2-CD1 3.99Å; I629-N632 WeakPolarHBondContact CG2-ND2 3.48Å; I629-P650 HydrophobicContact CD1-CB 4.23Å; I629-Q651 PolarHBondContact N-O 3.16Å; I629-L652 HydrophobicContact CB-CG 4.38Å; I629-L652 HydrophobicContact CD1-CG 4.3Å; I629-L652 CarbonylContact O-C 3.59Å; I629-L652 WeakPolarHBondContact O-CA 3.07Å; I629-L653 PolarHBondContact O-N 3.26Å; I629-N655 PolarHBondContact O-ND2 2.95Å; I629-N655 PolarHBondContact O-OD1 2.7Å
630E96.8Very high94.9Very high60 Ų6027.3 Ų27.328%0.2813%0.126SC..EExtended strand (participates in β ladder)trans-122.7128.1-170.7-173.2-169.2-171.200112.6L606 K607 N608 L628 N632 L653L606-E630 PolarHBondContact O-N 2.57Å; K607-E630 VanDerWaalsContact CA-O 3.27Å; K607-E630 WeakPolarHBondContact CA-O 3.31Å; K607-E630 IonicContact NZ-OE1 2.82Å; K607-E630 PolarHBondContact NZ-OE1 2.87Å; K607-E630 IonicContact NZ-OE2 3.19Å; K607-E630 PolarHBondContact NZ-OE2 3.47Å; N608-E630 PolarHBondContact N-O 2.79Å; N608-E630 VanDerWaalsContact N-O 3.1Å; L628-E630 HydrophobicContact CD1-CB 4.24Å; L628-E630 HydrophobicContact CD2-CB 4.32Å; L628-E630 HydrophobicContact CG-CB 4.06Å; E630-N632 PolarHBondContact N-ND2 2.94Å; E630-N632 VanDerWaalsContact N-ND2 3.14Å; E630-N632 PolarHBondContact O-N 3.34Å; E630-N632 VanDerWaalsContact O-N 3.09Å; E630-N632 PolarHBondContact O-ND2 3.42Å; E630-N632 VanDerWaalsContact O-ND2 3.13Å; E630-L653 CarbonylContact C-O 3.24Å; E630-L653 VanDerWaalsContact CA-O 3.24Å; E630-L653 WeakPolarHBondContact CA-O 3.06Å; E630-L653 HydrophobicContact CG-CB 4.28Å
631G95.4Very high94.9Very high14 Ų1426.9 Ų26.914%0.14412%0.124CC..SBendtrans63.418.4169.600000115.4N608 L653 G654 N655N608-G631 WeakPolarHBondContact CA-O 3.47Å; N608-G631 PolarHBondContact OD1-O 3.45Å; G631-L653 PolarHBondContact N-O 3.22Å; G631-G654 WeakPolarHBondContact CA-O 3.41Å; G631-N655 PolarHBondContact N-OD1 2.91Å
632N97.3Very high95Very high0 Ų027 Ų270%012%0.124CC..  trans-80.4150.2-178.5-56.9-83.5000111.4L606 N608 N609 I629 E630 V634 N655 Y656L606-N632 PolarHBondContact O-ND2 2.94Å; N608-N632 PolarHBondContact N-OD1 3.33Å; N609-N632 WeakPolarHBondContact CB-OD1 3.46Å; N609-N632 PolarHBondContact N-OD1 2.96Å; N609-N632 PolarHBondContact ND2-OD1 3.05Å; N609-N632 WeakPolarHBondContact O-CA 3.21Å; I629-N632 WeakPolarHBondContact CG2-ND2 3.48Å; E630-N632 PolarHBondContact N-ND2 2.94Å; E630-N632 VanDerWaalsContact N-ND2 3.14Å; E630-N632 PolarHBondContact O-N 3.34Å; E630-N632 VanDerWaalsContact O-N 3.09Å; E630-N632 PolarHBondContact O-ND2 3.42Å; E630-N632 VanDerWaalsContact O-ND2 3.13Å; N632-V634 HydrophobicContact CB-CG2 4.33Å; N632-N655 WeakPolarHBondContact CB-OD1 3.2Å; N632-N655 PolarHBondContact N-OD1 2.93Å; N632-N655 PolarHBondContact ND2-OD1 3.08Å; N632-N655 WeakPolarHBondContact O-CA 3Å; N632-Y656 PolarHBondContact O-N 3.2Å
633H95.6Very high95.2Very high31 Ų3130.2 Ų30.214%0.14414%0.136CC..EExtended strand (participates in β ladder)trans-103103.4175-63.7-92.4000109.3L386 N609 Y610 I611 Y635 Y656L386-H633 WeakPolarHBondContact CD2-ND1 3.24Å; N609-H633 PolarHBondContact O-N 3.39Å; Y610-H633 HydrophobicContact CD1-CB 3.95Å; Y610-H633 HydrophobicContact CE1-CB 4.32Å; Y610-H633 AromaticContact CE1-CD2 3.89Å; Y610-H633 HydrophobicContact CG-CB 4.49Å; I611-H633 PolarHBondContact N-O 3.04Å; H633-Y635 HydrophobicContact CB-CD1 4.25Å; H633-Y635 HydrophobicContact CB-CE1 4.38Å; H633-Y656 AromaticContact CE1-CD2 3.59Å; H633-Y656 AromaticContact ND1-CD2 3.8Å
634V97.2Very high95.5Very high1 Ų128 Ų281%0.00613%0.126CC..EExtended strand (participates in β ladder)trans-113.3104.3-176.5-171.70000109.6I611 V619 N632 G641 Y656 I657 I658 N660I611-V634 HydrophobicContact CB-CG1 4.47Å; I611-V634 HydrophobicContact CB-CG2 4.34Å; I611-V634 HydrophobicContact CD1-CG2 4.34Å; I611-V634 CarbonylContact O-C 3.54Å; I611-V634 VanDerWaalsContact O-CA 3.31Å; I611-V634 WeakPolarHBondContact O-CA 3.15Å; V619-V634 HydrophobicContact CG2-CG2 4.2Å; N632-V634 HydrophobicContact CB-CG2 4.33Å; V634-G641 VanDerWaalsContact CG1-O 3.23Å; V634-G641 WeakPolarHBondContact CG1-O 3.47Å; V634-Y656 PolarHBondContact N-O 2.98Å; V634-I657 HydrophobicContact CB-CG1 4.48Å; V634-I657 CarbonylContact O-C 3.57Å; V634-I657 WeakPolarHBondContact O-CA 3.46Å; V634-I658 PolarHBondContact O-N 2.88Å; V634-N660 PolarHBondContact O-ND2 3.06Å; V634-N660 VanDerWaalsContact O-ND2 3.14Å
635Y95.6Very high95.5Very high2 Ų224.2 Ų24.21%0.00812%0.115CC..EExtended strand (participates in β ladder)trans-149.6154.3-168.569.4-83.8000116.9P392 P393 Y610 I611 C612 Y613 H633 N637 I658P392-Y635 HydrophobicContact CB-CD2 3.84Å; P392-Y635 HydrophobicContact CB-CE2 4.14Å; P393-Y635 HydrophobicContact CB-CE1 4.48Å; P393-Y635 HydrophobicContact CG-CD1 4.25Å; P393-Y635 HydrophobicContact CG-CD2 4.45Å; P393-Y635 HydrophobicContact CG-CE1 4.14Å; P393-Y635 HydrophobicContact CG-CE2 4.33Å; P393-Y635 HydrophobicContact CG-CG 4.41Å; Y610-Y635 HydrophobicContact CD1-CE1 4.43Å; I611-Y635 PolarHBondContact O-N 3.11Å; C612-Y635 WeakPolarHBondContact CA-O 3.22Å; C612-Y635 HydrophobicContact CB-CD1 3.71Å; C612-Y635 HydrophobicContact CB-CD2 3.86Å; C612-Y635 HydrophobicContact CB-CE1 3.41Å; C612-Y635 VanDerWaalsContact CB-CE1 3.41Å; C612-Y635 HydrophobicContact CB-CE2 3.59Å; C612-Y635 HydrophobicContact CB-CG 3.92Å; C612-Y635 WeakPolarHBondContact CB-O 3.37Å; C612-Y635 PolarHBondContact SG-OH 2.83Å; Y613-Y635 HydrophobicContact CD2-CE2 4.49Å; Y613-Y635 AromaticContact CE2-CE2 3.67Å; Y613-Y635 HydrophobicContact CE2-CE2 3.67Å; Y613-Y635 AromaticContact CZ-CE2 3.74Å; Y613-Y635 PolarHBondContact N-O 3.26Å; H633-Y635 HydrophobicContact CB-CD1 4.25Å; H633-Y635 HydrophobicContact CB-CE1 4.38Å; Y635-N637 PolarHBondContact N-ND2 2.96Å; Y635-N637 PolarHBondContact O-N 3.2Å; Y635-N637 VanDerWaalsContact O-N 3.08Å; Y635-N637 PolarHBondContact O-ND2 2.86Å; Y635-I658 WeakPolarHBondContact CA-O 3.34Å; Y635-I658 WeakPolarHBondContact CB-O 3.31Å
636C94.9Very high94.7Very high29 Ų2924.9 Ų24.920%0.19612%0.12CC..SBendtrans5526.1177.6-65.10000114.7P392 Y613 I658 H659P392-C636 VanDerWaalsContact CB-SG 3.5Å; Y613-C636 VanDerWaalsContact CA-O 3.28Å; Y613-C636 WeakPolarHBondContact CA-O 3.49Å; Y613-C636 HydrophobicContact CD1-CB 3.48Å; Y613-C636 VanDerWaalsContact CD1-CB 3.48Å; Y613-C636 HydrophobicContact CE1-CB 3.41Å; Y613-C636 VanDerWaalsContact CE1-CB 3.41Å; Y613-C636 HydrophobicContact CG-CB 4.31Å; Y613-C636 PolarHBondContact N-O 2.78Å; C636-I658 PolarHBondContact N-O 2.9Å; C636-H659 WeakPolarHBondContact CA-O 3.49Å; C636-H659 PolarHBondContact N-O 2.9Å
637N96.4Very high94.2Very high1 Ų123.4 Ų23.41%0.00512%0.124CC..  trans-79.3143.6171.8-58.6-70.7000109.7I611 G614 S616 Y635 G639 N660 C661I611-N637 PolarHBondContact O-ND2 3.03Å; I611-N637 VanDerWaalsContact O-ND2 3.15Å; G614-N637 WeakPolarHBondContact CA-OD1 3.44Å; G614-N637 PolarHBondContact N-OD1 2.77Å; S616-N637 WeakPolarHBondContact O-CB 3.34Å; Y635-N637 PolarHBondContact N-ND2 2.96Å; Y635-N637 PolarHBondContact O-N 3.2Å; Y635-N637 VanDerWaalsContact O-N 3.08Å; Y635-N637 PolarHBondContact O-ND2 2.86Å; N637-G639 VanDerWaalsContact C-N 3.25Å; N637-G639 PolarHBondContact O-N 2.79Å; N637-N660 WeakPolarHBondContact CB-OD1 3.39Å; N637-N660 PolarHBondContact N-OD1 3Å; N637-N660 VanDerWaalsContact N-OD1 3.13Å; N637-N660 PolarHBondContact ND2-OD1 3.42Å; N637-C661 PolarHBondContact O-N 2.85Å
638K96.3Very high94.1Very high122 Ų12223.4 Ų23.453%0.5312%0.123SC..SBendtrans-68-25.1-179.7-70.5-166.4-179.1-173.40113.3G614 Y615 C661G614-K638 PolarHBondContact O-N 3.08Å; Y615-K638 HydrophobicContact CD1-CD 3.92Å; Y615-K638 VanDerWaalsContact CD1-CE 3.48Å; K638-C661 VanDerWaalsContact O-CB 3.31Å; K638-C661 WeakPolarHBondContact O-CB 3.2Å
639G95.9Very high93.8Very high6 Ų624 Ų246%0.06213%0.126CC..SBendtrans-93.4-143.5174.300000112.7S616 N637 M662S616-G639 PolarHBondContact O-N 2.83Å; N637-G639 VanDerWaalsContact C-N 3.25Å; N637-G639 PolarHBondContact O-N 2.79Å; G639-M662 PolarHBondContact O-N 3.39Å; G639-M662 VanDerWaalsContact O-N 3.12Å
640C96.6Very high93.6Very high0 Ų023.9 Ų23.90%013%0.125CC..  trans-74.2154.2171.5-50.70000110.5D617 G618 W643 Y663D617-C640 CarbonylContact C-O 3.56Å; D617-C640 VanDerWaalsContact CA-O 3.22Å; D617-C640 WeakPolarHBondContact CA-O 3.37Å; D617-C640 WeakPolarHBondContact OD1-CB 3.41Å; D617-C640 PolarHBondContact OD1-N 2.91Å; D617-C640 PolarHBondContact OD1-SG 2.84Å; G618-C640 PolarHBondContact N-O 3.18Å; C640-W643 VanDerWaalsContact SG-CE3 3.59Å; C640-Y663 CarbonylContact C-O 3.59Å; C640-Y663 WeakPolarHBondContact CA-O 3.2Å; C640-Y663 VanDerWaalsContact SG-CD2 3.57Å
641G97.1Very high93.5Very high0 Ų022.8 Ų22.80%012%0.121CC..SBendtrans-62.9-56.816600000110.3G618 V619 V634 N660 Y663 G664G618-G641 CarbonylContact C-O 3.49Å; G618-G641 WeakPolarHBondContact CA-O 3.32Å; G618-G641 PolarHBondContact N-O 2.87Å; V619-G641 PolarHBondContact N-O 2.8Å; V634-G641 VanDerWaalsContact CG1-O 3.23Å; V634-G641 WeakPolarHBondContact CG1-O 3.47Å; G641-N660 VanDerWaalsContact CA-CG 3.43Å; G641-N660 WeakPolarHBondContact CA-ND2 3.46Å; G641-Y663 PolarHBondContact N-O 3.4Å; G641-G664 CarbonylContact C-O 3.55Å; G641-G664 VanDerWaalsContact CA-O 3.26Å; G641-G664 WeakPolarHBondContact CA-O 3.45Å; G641-G664 PolarHBondContact N-O 3.23Å
642V97.9Very high93.5Very high2 Ų222.1 Ų22.11%0.01211%0.114CC..EExtended strand (participates in β ladder)trans-130.6131.9175.6-179.10000110.8V619 V644 L652 I657 G664 L665 A666V619-V642 HydrophobicContact CB-CG1 4.33Å; V619-V642 HydrophobicContact CB-CG2 4.18Å; V619-V642 CarbonylContact O-C 3.59Å; V619-V642 VanDerWaalsContact O-CA 3.32Å; V619-V642 WeakPolarHBondContact O-CA 3.4Å; V642-V644 HydrophobicContact CG1-CG2 4.04Å; V642-L652 HydrophobicContact CB-CD2 4.43Å; V642-L652 HydrophobicContact CG1-CD2 3.96Å; V642-L652 HydrophobicContact CG2-CD2 4.17Å; V642-I657 HydrophobicContact CG2-CD1 3.72Å; V642-I657 HydrophobicContact CG2-CG1 4.25Å; V642-G664 PolarHBondContact N-O 3.33Å; V642-L665 HydrophobicContact CB-CD1 3.54Å; V642-L665 HydrophobicContact CG1-CD1 3.56Å; V642-L665 CarbonylContact O-C 3.52Å; V642-L665 WeakPolarHBondContact O-CA 3.26Å; V642-A666 PolarHBondContact O-N 2.88Å
643W96.3Very high93.4Very high68 Ų6823.5 Ų23.526%0.25812%0.121SC..EExtended strand (participates in β ladder)trans-113.6124.7174.1-174.8-67.9000110.4D617 V619 V620 V621 C640 F668D617-W643 HydrophobicContact CB-CB 4.4Å; V619-W643 PolarHBondContact O-N 2.87Å; V620-W643 CarbonylContact C-O 3.58Å; V620-W643 WeakPolarHBondContact CA-O 3.42Å; V620-W643 HydrophobicContact CG2-CB 4.43Å; V621-W643 PolarHBondContact N-O 2.8Å; C640-W643 VanDerWaalsContact SG-CE3 3.59Å; W643-F668 AromaticContact CD2-CD2 3.92Å; W643-F668 HydrophobicContact CD2-CD2 3.92Å; W643-F668 AromaticContact CD2-CE2 3.83Å; W643-F668 HydrophobicContact CD2-CE2 3.83Å; W643-F668 AromaticContact CE2-CD2 3.35Å; W643-F668 AromaticContact CE2-CE2 3.61Å; W643-F668 HydrophobicContact CE3-CD2 4.31Å; W643-F668 AromaticContact CE3-CE2 3.74Å; W643-F668 HydrophobicContact CE3-CE2 3.74Å; W643-F668 AromaticContact CH2-CD2 3.7Å; W643-F668 HydrophobicContact CH2-CD2 3.7Å; W643-F668 HydrophobicContact CH2-CE1 4.37Å; W643-F668 AromaticContact CH2-CE2 3.22Å; W643-F668 HydrophobicContact CH2-CE2 3.22Å; W643-F668 HydrophobicContact CH2-CG 4.42Å; W643-F668 AromaticContact CH2-CZ 3.63Å; W643-F668 HydrophobicContact CH2-CZ 3.63Å; W643-F668 AromaticContact CZ2-CD2 3.24Å; W643-F668 HydrophobicContact CZ2-CD2 3.24Å; W643-F668 AromaticContact CZ2-CE2 3.32Å; W643-F668 HydrophobicContact CZ2-CE2 3.32Å; W643-F668 AromaticContact CZ2-CG 3.88Å; W643-F668 HydrophobicContact CZ2-CG 3.88Å; W643-F668 HydrophobicContact CZ2-CZ 4.05Å; W643-F668 HydrophobicContact CZ3-CD2 4.21Å; W643-F668 AromaticContact CZ3-CE2 3.45Å; W643-F668 HydrophobicContact CZ3-CE2 3.45Å; W643-F668 VanDerWaalsContact CZ3-CE2 3.45Å; W643-F668 AromaticContact CZ3-CZ 3.97Å; W643-F668 HydrophobicContact CZ3-CZ 3.97Å; W643-F668 AromaticContact NE1-CD2 3.8Å
644V94.8Very high93.3Very high4 Ų423.5 Ų23.52%0.02413%0.129CC..EExtended strand (participates in β ladder)trans-119124.7177.7-175.20000109.4V621 V642 P650 L665 A666 V667 F668V621-V644 HydrophobicContact CB-CG1 4.43Å; V621-V644 HydrophobicContact CB-CG2 4.38Å; V621-V644 HydrophobicContact CG2-CG2 4.4Å; V642-V644 HydrophobicContact CG1-CG2 4.04Å; V644-P650 HydrophobicContact CG1-CG 3.96Å; V644-P650 HydrophobicContact CG2-CG 4.13Å; V644-L665 HydrophobicContact CG2-CD1 4.11Å; V644-A666 PolarHBondContact N-O 2.8Å; V644-V667 HydrophobicContact CB-CG1 4.37Å; V644-V667 HydrophobicContact CB-CG2 4.31Å; V644-V667 HydrophobicContact CG1-CG1 4.42Å; V644-V667 CarbonylContact O-C 3.57Å; V644-V667 WeakPolarHBondContact O-CA 3.45Å; V644-F668 PolarHBondContact O-N 3.42Å
645M90.6Very high93.3Very high54 Ų5423.5 Ų23.527%0.26613%0.129SC..  trans-90.2168.2174.4-61-173.7-139.200112.1V620 V621 G622 S648 F668V620-M645 HydrophobicContact CG1-CE 3.83Å; V621-M645 PolarHBondContact O-N 2.83Å; G622-M645 VanDerWaalsContact CA-SD 3.57Å; M645-S648 WeakPolarHBondContact O-CB 3.07Å; M645-S648 PolarHBondContact O-N 2.82Å; M645-S648 PolarHBondContact O-OG 3.45Å; M645-S648 VanDerWaalsContact O-OG 3.1Å; M645-F668 CarbonylContact C-O 3.42Å; M645-F668 VanDerWaalsContact C-O 3.22Å; M645-F668 WeakPolarHBondContact CA-O 3.4Å
646S75.2Confident93.3Very high14 Ų1426.3 Ų26.310%0.09814%0.14CC..THydrogen-bonded Turntrans-58.8147174.8-139.10000111.4S648 F668 C669 E763S646-S648 PolarHBondContact O-N 2.87Å; S646-F668 PolarHBondContact N-O 3.36Å; S646-C669 PolarHBondContact OG-SG 2.57Å; S646-E763 PolarHBondContact OG-OE1 2.82Å
647S83Confident93.4Very high63 Ų6325 Ų2544%0.44113%0.131SC..THydrogen-bonded Turntrans69.513.2176.6-48.30000113R624 E763R624-S647 WeakPolarHBondContact CA-O 3.3Å; S647-E763 VanDerWaalsContact CA-OE1 3.27Å; S647-E763 WeakPolarHBondContact CA-OE1 3.31Å; S647-E763 WeakPolarHBondContact CA-OE2 3.34Å; S647-E763 PolarHBondContact N-OE1 3.08Å; S647-E763 PolarHBondContact N-OE2 3.24Å; S647-E763 PolarHBondContact OG-OE1 2.78Å
648S89.4Confident93.3Very high2 Ų225 Ų251%0.01413%0.131CC..  trans-93.4141.4173.8-57.60000110.2V621 G622 G625 M645 S646 P650V621-S648 PolarHBondContact O-OG 2.67Å; V621-S648 VanDerWaalsContact O-OG 3.12Å; G622-S648 PolarHBondContact O-OG 3.25Å; G625-S648 CarbonylContact O-C 3.58Å; G625-S648 VanDerWaalsContact O-CA 3.23Å; G625-S648 WeakPolarHBondContact O-CA 3.32Å; G625-S648 WeakPolarHBondContact O-CB 3.27Å; M645-S648 WeakPolarHBondContact O-CB 3.07Å; M645-S648 PolarHBondContact O-N 2.82Å; M645-S648 PolarHBondContact O-OG 3.45Å; M645-S648 VanDerWaalsContact O-OG 3.1Å; S646-S648 PolarHBondContact O-N 2.87Å; S648-P650 WeakPolarHBondContact O-CD 3.2Å
649L89.6Confident93.3Very high28 Ų2820.7 Ų20.715%0.14711%0.113CC..  trans-128.960.2-176.7-65.7169.8000111.2G625 R626G625-L649 PolarHBondContact O-N 2.67Å; R626-L649 VanDerWaalsContact NH1-CD1 3.34Å
650P93.3Very high93.3Very high0 Ų020.5 Ų20.50%011%0.11CC..  trans-74.3154.6177.132.5-35.3000112V621 I629 V644 S648 L652 L743V621-P650 HydrophobicContact CG1-CB 4.16Å; V621-P650 HydrophobicContact CG1-CG 4.19Å; V621-P650 HydrophobicContact CG2-CB 4.22Å; V621-P650 HydrophobicContact CG2-CG 4.39Å; I629-P650 HydrophobicContact CD1-CB 4.23Å; V644-P650 HydrophobicContact CG1-CG 3.96Å; V644-P650 HydrophobicContact CG2-CG 4.13Å; S648-P650 WeakPolarHBondContact O-CD 3.2Å; P650-L652 HydrophobicContact CB-CD1 3.88Å; P650-L652 HydrophobicContact CG-CD1 3.8Å; P650-L743 PolarHBondContact O-N 2.92Å; P650-L743 VanDerWaalsContact O-N 3.15Å
651Q94.3Very high93.3Very high38 Ų3824.3 Ų24.318%0.17814%0.136CC..EExtended strand (participates in β ladder)trans-109.7114.3164.5-65.4-174.3-29.700109.6G627 L628 I629 I739 L743G627-Q651 PolarHBondContact O-N 3.32Å; L628-Q651 HydrophobicContact CD1-CB 3.9Å; I629-Q651 PolarHBondContact N-O 3.16Å; Q651-I739 HydrophobicContact CG-CD1 3.74Å; Q651-I739 VanDerWaalsContact NE2-CG1 3.32Å; Q651-L743 WeakPolarHBondContact CA-O 3.13Å; Q651-L743 HydrophobicContact CG-CB 4.47Å
652L96.1Very high93.2Very high0 Ų028.2 Ų28.20%016%0.156CC..EExtended strand (participates in β ladder)trans-105.3107.2177.1-6799.4000109.5I629 V642 P650 L665 L743 M744 E745 N747I629-L652 HydrophobicContact CB-CG 4.38Å; I629-L652 HydrophobicContact CD1-CG 4.3Å; I629-L652 CarbonylContact O-C 3.59Å; I629-L652 WeakPolarHBondContact O-CA 3.07Å; V642-L652 HydrophobicContact CB-CD2 4.43Å; V642-L652 HydrophobicContact CG1-CD2 3.96Å; V642-L652 HydrophobicContact CG2-CD2 4.17Å; P650-L652 HydrophobicContact CB-CD1 3.88Å; P650-L652 HydrophobicContact CG-CD1 3.8Å; L652-L665 HydrophobicContact CD2-CD1 4.32Å; L652-L743 PolarHBondContact N-O 2.98Å; L652-M744 HydrophobicContact CB-CG 4.38Å; L652-M744 HydrophobicContact CD1-CE 4.45Å; L652-M744 HydrophobicContact CD1-CG 4.1Å; L652-M744 CarbonylContact O-C 3.56Å; L652-M744 WeakPolarHBondContact O-CA 3.06Å; L652-E745 PolarHBondContact O-N 3.45Å; L652-N747 PolarHBondContact O-ND2 2.93Å
653L95.3Very high93.1Very high28 Ų2830.5 Ų30.515%0.14716%0.164CC..EExtended strand (participates in β ladder)trans-119.7119.9-175.8-52.8-174.9000111.2L628 I629 E630 G631 N655 L743 E745L628-L653 HydrophobicContact CD1-CB 4.48Å; L628-L653 HydrophobicContact CD1-CD1 3.56Å; L628-L653 HydrophobicContact CD1-CG 3.82Å; I629-L653 PolarHBondContact O-N 3.26Å; E630-L653 CarbonylContact C-O 3.24Å; E630-L653 VanDerWaalsContact CA-O 3.24Å; E630-L653 WeakPolarHBondContact CA-O 3.06Å; E630-L653 HydrophobicContact CG-CB 4.28Å; G631-L653 PolarHBondContact N-O 3.22Å; L653-N655 VanDerWaalsContact C-N 3.27Å; L653-N655 PolarHBondContact N-ND2 2.54Å; L653-N655 PolarHBondContact O-N 3.27Å; L653-N655 VanDerWaalsContact O-N 3.16Å; L653-N655 PolarHBondContact O-ND2 3.09Å; L653-L743 HydrophobicContact CD2-CD2 4.16Å; L653-L743 HydrophobicContact CD2-CG 4.47Å; L653-E745 CarbonylContact C-O 3.59Å; L653-E745 VanDerWaalsContact CA-O 3.29Å; L653-E745 WeakPolarHBondContact CA-O 3.25Å; L653-E745 HydrophobicContact CD2-CB 3.73Å
654G94.2Very high93.1Very high31 Ų3127.2 Ų27.232%0.3215%0.152SC..SBendtrans64.223.4168.400000115.9G631 E745 G746 N747G631-G654 WeakPolarHBondContact CA-O 3.41Å; G654-E745 PolarHBondContact N-O 3.01Å; G654-G746 WeakPolarHBondContact CA-O 2.73Å; G654-N747 PolarHBondContact N-OD1 3.1Å
655N96.9Very high93.2Very high2 Ų227.2 Ų27.21%0.01115%0.152CC..  trans-82.4150.7-178-57.2-80.5000112.1I629 G631 N632 L653 I657 N747 C748I629-N655 PolarHBondContact O-ND2 2.95Å; I629-N655 PolarHBondContact O-OD1 2.7Å; G631-N655 PolarHBondContact N-OD1 2.91Å; N632-N655 WeakPolarHBondContact CB-OD1 3.2Å; N632-N655 PolarHBondContact N-OD1 2.93Å; N632-N655 PolarHBondContact ND2-OD1 3.08Å; N632-N655 WeakPolarHBondContact O-CA 3Å; L653-N655 VanDerWaalsContact C-N 3.27Å; L653-N655 PolarHBondContact N-ND2 2.54Å; L653-N655 PolarHBondContact O-N 3.27Å; L653-N655 VanDerWaalsContact O-N 3.16Å; L653-N655 PolarHBondContact O-ND2 3.09Å; N655-I657 HydrophobicContact CB-CD1 4.47Å; N655-I657 HydrophobicContact CB-CG1 4.19Å; N655-N747 WeakPolarHBondContact CB-OD1 3.2Å; N655-N747 PolarHBondContact N-OD1 3.33Å; N655-N747 PolarHBondContact ND2-OD1 3.18Å; N655-N747 WeakPolarHBondContact O-CA 3.32Å; N655-C748 PolarHBondContact O-N 2.98Å
656Y95.4Very high93.4Very high61 Ų6124.7 Ų24.724%0.23914%0.139CC..EExtended strand (participates in β ladder)trans-102.1100.7172.8-63-90.3000109.4L386 N632 H633 V634 C748L386-Y656 HydrophobicContact CB-CD1 3.9Å; L386-Y656 HydrophobicContact CB-CE1 4.1Å; L386-Y656 HydrophobicContact CD2-CD1 4.23Å; L386-Y656 HydrophobicContact CD2-CG 4.16Å; N632-Y656 PolarHBondContact O-N 3.2Å; H633-Y656 AromaticContact CE1-CD2 3.59Å; H633-Y656 AromaticContact ND1-CD2 3.8Å; V634-Y656 PolarHBondContact N-O 2.98Å; Y656-C748 HydrophobicContact CD1-CB 4.04Å; Y656-C748 HydrophobicContact CE1-CB 4.48Å
657I96.9Very high94.3Very high0 Ų024.4 Ų24.40%014%0.137CC..EExtended strand (participates in β ladder)trans-108.887.7-177.3-52.6169.4000108.5V634 V642 N655 G664 C748 V749 S750 N752V634-I657 HydrophobicContact CB-CG1 4.48Å; V634-I657 CarbonylContact O-C 3.57Å; V634-I657 WeakPolarHBondContact O-CA 3.46Å; V642-I657 HydrophobicContact CG2-CD1 3.72Å; V642-I657 HydrophobicContact CG2-CG1 4.25Å; N655-I657 HydrophobicContact CB-CD1 4.47Å; N655-I657 HydrophobicContact CB-CG1 4.19Å; I657-G664 WeakPolarHBondContact CG2-O 3.34Å; I657-C748 PolarHBondContact N-O 2.96Å; I657-V749 HydrophobicContact CB-CG2 4.42Å; I657-V749 HydrophobicContact CD1-CG2 4.36Å; I657-V749 WeakPolarHBondContact O-CA 3.35Å; I657-S750 PolarHBondContact O-N 3.48Å; I657-S750 VanDerWaalsContact O-N 3.09Å; I657-N752 PolarHBondContact O-ND2 3.02Å; I657-N752 VanDerWaalsContact O-ND2 3.1Å
658I95.1Very high94.5Very high1 Ų123.1 Ų23.11%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-128.5149.4-164.165.4177.1000113.4L386 P393 V634 Y635 C636 N660 S750L386-I658 HydrophobicContact CD2-CD1 4Å; L386-I658 HydrophobicContact CG-CD1 4.19Å; P393-I658 HydrophobicContact CG-CD1 4.31Å; V634-I658 PolarHBondContact O-N 2.88Å; Y635-I658 WeakPolarHBondContact CA-O 3.34Å; Y635-I658 WeakPolarHBondContact CB-O 3.31Å; C636-I658 PolarHBondContact N-O 2.9Å; I658-N660 PolarHBondContact O-N 3.06Å; I658-N660 VanDerWaalsContact O-N 3.09Å; I658-N660 PolarHBondContact O-ND2 2.86Å; I658-S750 CarbonylContact C-O 3.58Å; I658-S750 WeakPolarHBondContact CA-O 3.35Å
659H94.9Very high93.4Very high32 Ų3224.5 Ų24.515%0.14813%0.133CC..SBendtrans57.325.9171.2-64.2-76.3000115.3S389 P390 C636 S750 Y751S389-H659 PolarHBondContact O-NE2 3.04Å; P390-H659 PolarHBondContact O-CE1 2.57Å; C636-H659 WeakPolarHBondContact CA-O 3.49Å; C636-H659 PolarHBondContact N-O 2.9Å; H659-S750 PolarHBondContact N-O 2.75Å; H659-Y751 WeakPolarHBondContact CA-O 3.16Å; H659-Y751 WeakPolarHBondContact CE1-CB 3.33Å; H659-Y751 AromaticContact CE1-CD1 3.97Å; H659-Y751 AromaticContact CE1-CG 3.53Å; H659-Y751 WeakPolarHBondContact ND1-CB 3.34Å; H659-Y751 AromaticContact NE2-CD2 3.78Å; H659-Y751 AromaticContact NE2-CG 3.79Å
660N96.5Very high91.6Very high2 Ų231.1 Ų31.11%0.01116%0.156CC..  trans-83146.9173.8-57.1-79.6000110V634 N637 G641 I658 M662 N752 G753V634-N660 PolarHBondContact O-ND2 3.06Å; V634-N660 VanDerWaalsContact O-ND2 3.14Å; N637-N660 WeakPolarHBondContact CB-OD1 3.39Å; N637-N660 PolarHBondContact N-OD1 3Å; N637-N660 VanDerWaalsContact N-OD1 3.13Å; N637-N660 PolarHBondContact ND2-OD1 3.42Å; G641-N660 VanDerWaalsContact CA-CG 3.43Å; G641-N660 WeakPolarHBondContact CA-ND2 3.46Å; I658-N660 PolarHBondContact O-N 3.06Å; I658-N660 VanDerWaalsContact O-N 3.09Å; I658-N660 PolarHBondContact O-ND2 2.86Å; N660-M662 VanDerWaalsContact C-N 3.31Å; N660-M662 PolarHBondContact O-N 3.4Å; N660-N752 WeakPolarHBondContact CB-OD1 3.43Å; N660-N752 PolarHBondContact N-OD1 3.34Å; N660-N752 PolarHBondContact ND2-OD1 3.2Å; N660-N752 CarbonylContact O-C 3.57Å; N660-N752 VanDerWaalsContact O-CA 3.31Å; N660-N752 WeakPolarHBondContact O-CA 3.49Å; N660-G753 PolarHBondContact O-N 2.89Å
661C96.1Very high89Confident80 Ų8040 Ų4054%0.54120%0.195SC..SBendtrans-71.6-23.6-170.2-65.90000113.9N637 K638 G753N637-C661 PolarHBondContact O-N 2.85Å; K638-C661 VanDerWaalsContact O-CB 3.31Å; K638-C661 WeakPolarHBondContact O-CB 3.2Å; C661-G753 WeakPolarHBondContact O-CA 3.45Å
662M95.4Very high86.2Confident83 Ų8344.3 Ų44.341%0.40922%0.219SC..SBendtrans-110.5-126.9177.5-59.5-168.972.700111.5G639 N660 G753 A754G639-M662 PolarHBondContact O-N 3.39Å; G639-M662 VanDerWaalsContact O-N 3.12Å; N660-M662 VanDerWaalsContact C-N 3.31Å; N660-M662 PolarHBondContact O-N 3.4Å; M662-G753 PolarHBondContact O-N 3.32Å; M662-A754 WeakPolarHBondContact O-CB 3.23Å; M662-A754 PolarHBondContact O-N 3.28Å
663Y96.9Very high83.4Confident49 Ų4948.6 Ų48.619%0.19225%0.247CC..  trans-74.6146179.3-49.5-62.4000110.1C640 G641 A666 F668 A754 V755 Y758C640-Y663 CarbonylContact C-O 3.59Å; C640-Y663 WeakPolarHBondContact CA-O 3.2Å; C640-Y663 VanDerWaalsContact SG-CD2 3.57Å; G641-Y663 PolarHBondContact N-O 3.4Å; Y663-A666 HydrophobicContact CD2-CB 3.83Å; Y663-A666 HydrophobicContact CG-CB 4.18Å; Y663-F668 HydrophobicContact CE2-CZ 4.33Å; Y663-A754 HydrophobicContact CD1-CB 3.71Å; Y663-A754 HydrophobicContact CE1-CB 3.85Å; Y663-V755 VanDerWaalsContact CA-O 3.3Å; Y663-V755 WeakPolarHBondContact CA-O 3.38Å; Y663-V755 HydrophobicContact CD1-CB 3.85Å; Y663-V755 HydrophobicContact CD1-CG2 3.88Å; Y663-V755 HydrophobicContact CE1-CB 4.36Å; Y663-V755 HydrophobicContact CE1-CG2 3.87Å; Y663-Y758 HydrophobicContact CD1-CD2 4.3Å; Y663-Y758 HydrophobicContact CD1-CG 4.31Å; Y663-Y758 AromaticContact CE1-CD2 3.86Å; Y663-Y758 HydrophobicContact CE1-CD2 3.86Å; Y663-Y758 HydrophobicContact CE1-CE2 4.42Å; Y663-Y758 HydrophobicContact CE1-CG 4.22Å
664G95.8Very high80.5Confident0 Ų054.4 Ų54.40%028%0.278CS..SBendtrans-62.6-59.2166.400000109.8G641 V642 I657 N752 V755 G756G641-G664 CarbonylContact C-O 3.55Å; G641-G664 VanDerWaalsContact CA-O 3.26Å; G641-G664 WeakPolarHBondContact CA-O 3.45Å; G641-G664 PolarHBondContact N-O 3.23Å; V642-G664 PolarHBondContact N-O 3.33Å; I657-G664 WeakPolarHBondContact CG2-O 3.34Å; G664-N752 VanDerWaalsContact CA-CG 3.48Å; G664-V755 PolarHBondContact N-O 3.12Å; G664-G756 CarbonylContact C-O 3.58Å; G664-G756 WeakPolarHBondContact CA-O 3.16Å; G664-G756 PolarHBondContact N-O 3.09Å
665L97Very high77.6Confident4 Ų459.8 Ų59.82%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-135.1126.4179.1175.556.4000110V642 V644 L652 M744 G756 L757 Y758V642-L665 HydrophobicContact CB-CD1 3.54Å; V642-L665 HydrophobicContact CG1-CD1 3.56Å; V642-L665 CarbonylContact O-C 3.52Å; V642-L665 WeakPolarHBondContact O-CA 3.26Å; V644-L665 HydrophobicContact CG2-CD1 4.11Å; L652-L665 HydrophobicContact CD2-CD1 4.32Å; L665-M744 HydrophobicContact CD1-CE 3.87Å; L665-M744 HydrophobicContact CD2-CE 3.41Å; L665-M744 VanDerWaalsContact CD2-CE 3.41Å; L665-M744 HydrophobicContact CD2-CG 3.97Å; L665-M744 HydrophobicContact CD2-SD 3.26Å; L665-M744 WeakPolarHBondContact CD2-SD 3.45Å; L665-M744 HydrophobicContact CG-CE 3.77Å; L665-M744 HydrophobicContact CG-SD 4.16Å; L665-G756 PolarHBondContact N-O 2.91Å; L665-L757 HydrophobicContact CB-CD1 4.23Å; L665-L757 HydrophobicContact CD2-CD1 4.06Å; L665-L757 HydrophobicContact CG-CD1 3.86Å; L665-L757 CarbonylContact O-C 3.56Å; L665-L757 WeakPolarHBondContact O-CA 2.98Å; L665-Y758 PolarHBondContact O-N 3.2Å
666A95.1Very high74.7Confident0 Ų066.1 Ų66.10%033%0.332CS..EExtended strand (participates in β ladder)trans-124.2132.5-179.700000111.5V642 V644 Y663 F668 Y758V642-A666 PolarHBondContact O-N 2.88Å; V644-A666 PolarHBondContact N-O 2.8Å; Y663-A666 HydrophobicContact CD2-CB 3.83Å; Y663-A666 HydrophobicContact CG-CB 4.18Å; A666-F668 HydrophobicContact CB-CD2 4.1Å; A666-F668 HydrophobicContact CB-CE2 3.38Å; A666-F668 HydrophobicContact CB-CZ 4.07Å; A666-Y758 CarbonylContact C-O 3.57Å; A666-Y758 WeakPolarHBondContact CA-O 3.21Å; A666-Y758 HydrophobicContact CB-CD1 4.45Å
667V93.1Very high71.7Confident9 Ų972.3 Ų72.36%0.05536%0.363CS..EExtended strand (participates in β ladder)trans-122.2115.7-179.4-170.80000109.1V644 M744 L757 Y758 K760 L765V644-V667 HydrophobicContact CB-CG1 4.37Å; V644-V667 HydrophobicContact CB-CG2 4.31Å; V644-V667 HydrophobicContact CG1-CG1 4.42Å; V644-V667 CarbonylContact O-C 3.57Å; V644-V667 WeakPolarHBondContact O-CA 3.45Å; V667-M744 HydrophobicContact CG2-CE 3.46Å; V667-M744 VanDerWaalsContact CG2-CE 3.46Å; V667-L757 HydrophobicContact CG2-CD1 4.44Å; V667-Y758 PolarHBondContact N-O 2.82Å; V667-K760 CarbonylContact O-C 3.47Å; V667-K760 PolarHBondContact O-N 2.84Å; V667-L765 HydrophobicContact CG2-CD2 4.17Å
668F87.9Confident68.6Low35 Ų3577.1 Ų77.115%0.15440%0.402CS..EExtended strand (participates in β ladder)trans-121.4142.7-174.1-66.8-86.2000113W643 V644 M645 S646 Y663 A666 Y758 K760W643-F668 AromaticContact CD2-CD2 3.92Å; W643-F668 HydrophobicContact CD2-CD2 3.92Å; W643-F668 AromaticContact CD2-CE2 3.83Å; W643-F668 HydrophobicContact CD2-CE2 3.83Å; W643-F668 AromaticContact CE2-CD2 3.35Å; W643-F668 AromaticContact CE2-CE2 3.61Å; W643-F668 HydrophobicContact CE3-CD2 4.31Å; W643-F668 AromaticContact CE3-CE2 3.74Å; W643-F668 HydrophobicContact CE3-CE2 3.74Å; W643-F668 AromaticContact CH2-CD2 3.7Å; W643-F668 HydrophobicContact CH2-CD2 3.7Å; W643-F668 HydrophobicContact CH2-CE1 4.37Å; W643-F668 AromaticContact CH2-CE2 3.22Å; W643-F668 HydrophobicContact CH2-CE2 3.22Å; W643-F668 HydrophobicContact CH2-CG 4.42Å; W643-F668 AromaticContact CH2-CZ 3.63Å; W643-F668 HydrophobicContact CH2-CZ 3.63Å; W643-F668 AromaticContact CZ2-CD2 3.24Å; W643-F668 HydrophobicContact CZ2-CD2 3.24Å; W643-F668 AromaticContact CZ2-CE2 3.32Å; W643-F668 HydrophobicContact CZ2-CE2 3.32Å; W643-F668 AromaticContact CZ2-CG 3.88Å; W643-F668 HydrophobicContact CZ2-CG 3.88Å; W643-F668 HydrophobicContact CZ2-CZ 4.05Å; W643-F668 HydrophobicContact CZ3-CD2 4.21Å; W643-F668 AromaticContact CZ3-CE2 3.45Å; W643-F668 HydrophobicContact CZ3-CE2 3.45Å; W643-F668 VanDerWaalsContact CZ3-CE2 3.45Å; W643-F668 AromaticContact CZ3-CZ 3.97Å; W643-F668 HydrophobicContact CZ3-CZ 3.97Å; W643-F668 AromaticContact NE1-CD2 3.8Å; V644-F668 PolarHBondContact O-N 3.42Å; M645-F668 CarbonylContact C-O 3.42Å; M645-F668 VanDerWaalsContact C-O 3.22Å; M645-F668 WeakPolarHBondContact CA-O 3.4Å; S646-F668 PolarHBondContact N-O 3.36Å; Y663-F668 HydrophobicContact CE2-CZ 4.33Å; A666-F668 HydrophobicContact CB-CD2 4.1Å; A666-F668 HydrophobicContact CB-CE2 3.38Å; A666-F668 HydrophobicContact CB-CZ 4.07Å; F668-Y758 HydrophobicContact CD1-CE1 4.06Å; F668-Y758 AromaticContact CE1-CD1 3.93Å; F668-Y758 HydrophobicContact CE1-CD1 3.93Å; F668-Y758 AromaticContact CE1-CE1 3.33Å; F668-Y758 HydrophobicContact CE1-CE1 3.33Å; F668-Y758 HydrophobicContact CE2-CD1 4.49Å; F668-Y758 AromaticContact CZ-CD1 3.85Å; F668-Y758 HydrophobicContact CZ-CD1 3.85Å; F668-Y758 AromaticContact CZ-CE1 3.69Å; F668-Y758 HydrophobicContact CZ-CE1 3.69Å; F668-K760 CarbonylContact C-O 3.56Å; F668-K760 WeakPolarHBondContact CA-O 3.46Å; F668-K760 HydrophobicContact CD1-CB 4.23Å
669C64.9Low65.4Low32 Ų3288.2 Ų88.222%0.21644%0.444CS..PPolyproline II helixtrans-81.9160.7166.2-100.30000113.3S646 K760 S761 S762S646-C669 PolarHBondContact OG-SG 2.57Å; C669-K760 PolarHBondContact N-O 2.93Å; C669-S761 WeakPolarHBondContact SG-CA 3.23Å; C669-S761 PolarHBondContact SG-OG 2.83Å; C669-S762 PolarHBondContact SG-N 3.15Å
670R53.1Low62.2Low166 Ų16696.4 Ų96.463%0.62648%0.482SS*.PPolyproline II helixtrans-66.1141.7159.5-96.2-172.4168.1153.64.1108.8E623E623-R670 IonicContact OE1-NH1 3.7Å; E623-R670 IonicContact OE2-CZ 3.29Å; E623-R670 IonicContact OE2-NH1 2.93Å; E623-R670 IonicContact OE2-NH2 2.77Å; E623-R670 PolarHBondContact OE2-NH2 2.72Å
671K38.6Very low58.9Low188 Ų18899.5 Ų99.582%0.81752%0.515SS*.PPolyproline II helixtrans-64.3131159.5-165.4175.4-178.4-179.50106.7
672D34.3Very low55.6Low128 Ų128103.3 Ų103.368%0.68453%0.53SS*.PPolyproline II helixtrans-51.9141.4-179.1-72.1-47.9000111D674D672-D674 PolarHBondContact O-N 3Å
673P37.7Very low52.3Low90 Ų90111.3 Ų111.358%0.58456%0.556SS**SBendtrans-66.2-10.7176.2-6.117.2000113.8N675 I676P673-N675 PolarHBondContact O-N 3.33Å; P673-I676 PolarHBondContact O-N 3.13Å; P673-I676 VanDerWaalsContact O-N 3.08Å
674D34.1Very low49.1Very low149 Ų149114.8 Ų114.880%0.79759%0.585SS**THydrogen-bonded Turntrans-73.322.8-171.5-64.9-17.2000114.6D672D672-D674 PolarHBondContact O-N 3Å
675N34.1Very low45.8Very low144 Ų144118 Ų11877%0.7762%0.617SS**THydrogen-bonded Turntrans-129.522.8167.6-119.4-3000112.7P673P673-N675 PolarHBondContact O-N 3.33Å
676I36.4Very low42.5Very low136 Ų136126.6 Ų126.670%0.69766%0.657SS**  trans-111.167.1170.2-48.3176.3000108.9P673P673-I676 PolarHBondContact O-N 3.13Å; P673-I676 VanDerWaalsContact O-N 3.08Å
677E31Very low39.1Very low191 Ų191135.3 Ų135.389%0.89370%0.698SS**SBendtrans-118.2126141.9-77.4-167.3161.600107.2
678A32.4Very low35.9Very low100 Ų100138.7 Ų138.783%0.82674%0.735SS**SBendtrans80.761.4-178.300000118.3
679R27.3Very low32.8Very low234 Ų234146.7 Ų146.788%0.88378%0.775SS**  trans-169.389.9132.1-112.6171.6163.8174.3-5.1111.5
680E29.5Very low30.9Very low204 Ų204149 Ų14995%0.95380%0.804SS**  trans-63.4132.6153.4-78.5178.6137.800108.9
681G26.9Very low29.6Very low68 Ų68144.5 Ų144.570%0.70181%0.81SS**  trans146.2110165.500000116.1
682N25.3Very low28.9Very low160 Ų160143 Ų14386%0.85681%0.811SS**  trans73.9100.4149.4-74.618.8000121.6
683W26.7Very low28.5Very low250 Ų250143.3 Ų143.395%0.94782%0.817SS**  trans-65.3129.6137.2-64.696.2000109.6G685W683-G685 PolarHBondContact O-N 3.06Å
684P29.1Very low27.9Very low123 Ų123143.8 Ų143.880%0.79983%0.828SS**  trans-87.399.8169.818.5-5.1000109.9
685G27.1Very low27.4Very low66 Ų66145 Ų14568%0.6884%0.835SS**  trans-70.2148.7138.200000109.4W683W683-G685 PolarHBondContact O-N 3.06Å
686Q27.2Very low27Very low185 Ų185141.6 Ų141.686%0.86483%0.834SS**  trans-20.5135.3150.7-107.7171-34.300112.6
687E24.9Very low26.4Very low184 Ų184143.3 Ų143.386%0.8684%0.839SS**  cis-165.6171.148.4-63.3-171.5140.400111.4
688G25.6Very low26Very low80 Ų80144.3 Ų144.383%0.82584%0.835SS**  trans163.682.6156.100000115.5
689M23.1Very low25.6Very low202 Ų202151.2 Ų151.2100%0.99584%0.839SS**  trans-102.4123.4152.9-143.6-158.1-162.300107.1
690G25.5Very low25.4Very low80 Ų80143.9 Ų143.983%0.82584%0.837SS**  trans13485.7162.100000117.4
691G24.9Very low25.1Very low73 Ų73141 Ų14175%0.75383%0.832SS**  trans19126.9139.900000123.6
692D24.4Very low25Very low155 Ų155143.7 Ų143.783%0.82984%0.835SS**  72.8109.7130-69.2-17000124.1
693V25.1Very low24.9Very low136 Ų136145.3 Ų145.382%0.82484%0.837SS**  54.8113.8125.6-1680000120.2
694A24.6Very low24.8Very low99 Ų99137 Ų13782%0.81883%0.829SS**  177.8145.5113.900000114.1
695N24.4Very low24.6Very low175 Ų175140.6 Ų140.694%0.93684%0.836SS**  trans-60.9158.8178.8-79.2-30.9000116.5
696G24.5Very low24.4Very low73 Ų73141.6 Ų141.675%0.75384%0.837SS**  trans133.4106.3134.500000119.4
697E24Very low24.3Very low171 Ų171144.2 Ų144.280%0.79984%0.839SS**  trans19.5135.3147-60.6-169.5132.600125.4
698R23.8Very low24.3Very low212 Ų212144.7 Ų144.780%0.884%0.841SS**  trans67.1128.1134.6-75.8-177.6-178.1-169.72.7123.8
699R23.4Very low24.3Very low246 Ų246144.9 Ų144.993%0.92884%0.843SS**  trans63.8132.3140.1-82.7-172177.4-162.1-0.8120.5
700G22.9Very low24.3Very low80 Ų80143.1 Ų143.183%0.82583%0.832SS**  trans142.7141.5144.800000115.6
701V23.9Very low24.4Very low142 Ų142146 Ų14686%0.86182%0.824SS**  trans-88.1155.9-171.4-176.60000111.9
702V24.1Very low24.3Very low126 Ų126150 Ų15076%0.76483%0.828SS**  trans132.4138141.9-178.60000114.6
703E23.2Very low24.6Very low193 Ų193149.9 Ų149.990%0.90282%0.821SS**  trans-40.7154.8-175.6-59.7167.4154.900120.3
704G24.7Very low24.8Very low75 Ų75150 Ų15077%0.77382%0.817SS**  trans148.784.2156.600000117.6
705E25.2Very low25Very low200 Ų200154.5 Ų154.594%0.93582%0.821SS**  trans28.7119.1149.4-59.8-173.6149.200123.5
706A23.7Very low25.4Very low86 Ų86153.2 Ų153.271%0.71181%0.809SS**  131.8111.811400000118.1
707R24.1Very low25.6Very low241 Ų241153.3 Ų153.391%0.90981%0.81SS**  trans72.8134.1148-58.7177.7177.3-176.7-0.8116.7
708E25.5Very low25.8Very low194 Ų194153.8 Ų153.891%0.90781%0.812SS**  cis-146148.224.7-61.7172.2149.800106.7
709G24.3Very low26.1Very low83 Ų83150.8 Ų150.886%0.85681%0.811SS**  cis121.540.727.500000111.8
710Q24.6Very low26.3Very low165 Ų165149.8 Ų149.877%0.77181%0.814SS**  trans-111.7123.8178.7-129.9179.9-39.200111.7
711E26.2Very low26.8Very low141 Ų141148.8 Ų148.866%0.65980%0.798SS**  trans64.990.5151.5-67.9169-141.500119.8
712N24.1Very low27Very low156 Ų156153.6 Ų153.683%0.83480%0.801SS**  trans-102.996.5153.4-89.3-13.7000110.1N714N712-N714 PolarHBondContact O-N 3.04Å
713F29.6Very low27.3Very low153 Ų153156.9 Ų156.967%0.67181%0.808SS**  trans-8943.3160.1-98.4-75.7000110.9
714N29.6Very low27.7Very low138 Ų138152.4 Ų152.474%0.73880%0.798SS**  trans-133.979.3-178-81.2-21000111.1N712N712-N714 PolarHBondContact O-N 3.04Å
715E28.2Very low28Very low195 Ų195155.9 Ų155.991%0.91180%0.799SS**  trans-144.1106.2147.3-79-166.6166.800108.5
716E33.1Very low28.4Very low148 Ų148154.1 Ų154.169%0.69280%0.795SS**  trans14358.2158.1-78.1-173.8-169.900110.1R484R484-E716 IonicContact CZ-OE2 3.76Å; R484-E716 IonicContact NH1-OE1 3.81Å; R484-E716 PolarHBondContact NH1-OE1 3.13Å; R484-E716 IonicContact NH1-OE2 2.76Å; R484-E716 PolarHBondContact NH1-OE2 3Å; R484-E716 IonicContact NH2-OE2 3.33Å
717G30.1Very low29Very low75 Ų75158 Ų15877%0.77380%0.804SS**  trans-87.198.4147.500000107.5
718E28.1Very low29.5Very low180 Ų180151.2 Ų151.284%0.84179%0.794SS**  trans179.9136.8145-101.1173.2-163.600110.4
719L28.5Very low29.9Very low149 Ų149148.1 Ų148.178%0.7878%0.779SS**  trans79.161.9170.2-70.2141.8000118.2A721L719-A721 VanDerWaalsContact C-N 3.34Å; L719-A721 PolarHBondContact O-N 3.06Å
720F29.2Very low30.5Very low225 Ų225148.7 Ų148.799%0.98776%0.762SS**  trans-79.484.4140.4-90.4-88.1000109.1
721A32.8Very low30.9Very low59 Ų59149.3 Ų149.349%0.48877%0.765SS.*  trans-171.7116.9164.800000106.8L719L719-A721 VanDerWaalsContact C-N 3.34Å; L719-A721 PolarHBondContact O-N 3.06Å
722W29.2Very low31.3Very low244 Ų244151.4 Ų151.492%0.92477%0.767SS**  trans91.591.1168.4-56.443.9000115.4
723E29.1Very low31.9Very low194 Ų194151.6 Ų151.691%0.90776%0.763SS**  trans-167.160.1133.6-102.4174.8-162.300107.2
724S31.1Very low32.2Very low99 Ų99148.1 Ų148.169%0.69276%0.758SS**  trans-77.7131.7143.644.40000105.9
725D32.1Very low32.4Very low149 Ų149146.2 Ų146.280%0.79776%0.761SS**SBendtrans111.448.3173.3-51.2-19.1000116.1
726L32.8Very low33.6Very low163 Ų163141.5 Ų141.585%0.85374%0.735SS**  trans-144.128.1149.3-79.5-175.5000113.4S728L726-S728 PolarHBondContact O-N 3Å
727D35.9Very low34.2Very low166 Ų166144.9 Ų144.989%0.88874%0.741SS**  trans-95.187.9171.8-74.3-29.1000110.3
728S34.4Very low35.2Very low100 Ų100147.1 Ų147.170%0.69975%0.745SS**SBendtrans-1476.5165.160.40000116.8L726L726-S728 PolarHBondContact O-N 3Å
729E34.2Very low36.9Very low128 Ų128140.5 Ų140.560%0.59872%0.715SS**SBendtrans-115.2-9.8177.9-72.6-74.1168.900114.8R732E729-R732 IonicContact OE1-NH2 3.6Å; E729-R732 IonicContact OE2-CZ 2.58Å; E729-R732 IonicContact OE2-NE 3.64Å; E729-R732 IonicContact OE2-NH2 3.44Å; E729-R732 PolarHBondContact OE2-NH2 3.13Å
730D36.7Very low39Very low95 Ų95138.4 Ų138.451%0.50871%0.713SS.*G310 helixtrans-89.81.8-177.5-101.6-10.3000114.7R732D730-R732 PolarHBondContact O-N 3.22Å
731E34.1Very low41.5Very low178 Ų178129.2 Ų129.283%0.83268%0.675SS**G310 helixtrans-69.4-10.5173.8-75.7-158.1154.400113.9H733E731-H733 VanDerWaalsContact C-N 3.27Å; E731-H733 PolarHBondContact O-N 3.09Å
732R35.1Very low44.2Very low185 Ų185126.8 Ų126.870%0.69866%0.655SS**G310 helixtrans-74.1-8.3-175.3-63.3-169-154.9-167.28.9115.1E729 D730E729-R732 IonicContact OE1-NH2 3.6Å; E729-R732 IonicContact OE2-CZ 2.58Å; E729-R732 IonicContact OE2-NE 3.64Å; E729-R732 IonicContact OE2-NH2 3.44Å; E729-R732 PolarHBondContact OE2-NH2 3.13Å; D730-R732 PolarHBondContact O-N 3.22Å
733H35.6Very low47.2Very low161 Ų161116.7 Ų116.775%0.74562%0.619SS**G310 helixtrans-115.9-2.7-179.1-63.494.2000115.1E731E731-H733 VanDerWaalsContact C-N 3.27Å; E731-H733 PolarHBondContact O-N 3.09Å
734S36.4Very low50.3Low80 Ų80107.5 Ų107.556%0.55958%0.576SS**  trans-101.233.7175.4-69.90000113R736S734-R736 PolarHBondContact O-N 2.93Å
735A33.7Very low53.3Low98 Ų98107 Ų10781%0.8156%0.563SS**  trans-67.120.1171.700000114.1
736R53.3Low56.2Low96 Ų96101.5 Ų101.536%0.36254%0.541SS..SBendtrans-92.9115.1173.8-66.2-177.4179.5176.6-1.7107.7I605 S734I605-R736 VanDerWaalsContact CG1-NH2 3.33Å; S734-R736 PolarHBondContact O-N 2.93Å
737R46.9Very low59.3Low218 Ų21893.8 Ų93.882%0.82350%0.501SS*.  trans-50.4149.4173.1-70.3-177.5177.1-179.6-1.3110I739R737-I739 PolarHBondContact O-N 2.94Å
738S51Low62.1Low122 Ų12286 Ų8685%0.85346%0.46SS*.  trans-53.9113.8174.246.80000110.6
739I63Low65.1Low42 Ų4281.3 Ų81.322%0.21543%0.427CS..  trans-84.9117.3177.3-59155000107Q651 R737 V741Q651-I739 HydrophobicContact CG-CD1 3.74Å; Q651-I739 VanDerWaalsContact NE2-CG1 3.32Å; R737-I739 PolarHBondContact O-N 2.94Å; I739-V741 WeakPolarHBondContact CG2-O 3.18Å
740S72.8Confident68Low105 Ų10575.2 Ų75.273%0.73440%0.398SS*.  trans-99.4-10.4178.562.40000113.6
741V82.4Confident70.8Confident31 Ų3173 Ų7319%0.18838%0.383CS..SBendtrans-143.2136.1-174.2-175.10000109.5I739 A764 N766I739-V741 WeakPolarHBondContact CG2-O 3.18Å; V741-A764 HydrophobicContact CG1-CB 3.82Å; V741-A764 VanDerWaalsContact CG1-O 3.31Å; V741-A764 WeakPolarHBondContact CG1-O 3.2Å; V741-A764 HydrophobicContact CG2-CB 4.18Å; V741-N766 HydrophobicContact CG1-CB 4.35Å
742A88.8Confident73.7Confident8 Ų864.5 Ų64.57%0.06634%0.343CS..EExtended strand (participates in β ladder)trans-62.1136.8173.900000110.8L765 N766A742-L765 HydrophobicContact CB-CD1 3.95Å; A742-N766 PolarHBondContact O-N 3.39Å; A742-N766 VanDerWaalsContact O-N 3.11Å
743L92.2Very high76.6Confident32 Ų3257.4 Ų57.417%0.16833%0.328CS..EExtended strand (participates in β ladder)trans-124.2130.8-173.8176.964.5000110.8P650 Q651 L652 L653 E745 N766 F768P650-L743 PolarHBondContact O-N 2.92Å; P650-L743 VanDerWaalsContact O-N 3.15Å; Q651-L743 WeakPolarHBondContact CA-O 3.13Å; Q651-L743 HydrophobicContact CG-CB 4.47Å; L652-L743 PolarHBondContact N-O 2.98Å; L653-L743 HydrophobicContact CD2-CD2 4.16Å; L653-L743 HydrophobicContact CD2-CG 4.47Å; L743-E745 HydrophobicContact CD1-CB 4.39Å; L743-E745 HydrophobicContact CG-CB 4.41Å; L743-N766 HydrophobicContact CD1-CB 3.96Å; L743-F768 HydrophobicContact CD1-CD2 3.8Å; L743-F768 HydrophobicContact CD1-CE2 4.37Å
744M94.4Very high79.5Confident2 Ų250.9 Ų50.91%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-125.4107174.2-61.3167.4178.300108.2L652 L665 V667 L757 L765 N766 V767 F768 N770L652-M744 HydrophobicContact CB-CG 4.38Å; L652-M744 HydrophobicContact CD1-CE 4.45Å; L652-M744 HydrophobicContact CD1-CG 4.1Å; L652-M744 CarbonylContact O-C 3.56Å; L652-M744 WeakPolarHBondContact O-CA 3.06Å; L665-M744 HydrophobicContact CD1-CE 3.87Å; L665-M744 HydrophobicContact CD2-CE 3.41Å; L665-M744 VanDerWaalsContact CD2-CE 3.41Å; L665-M744 HydrophobicContact CD2-CG 3.97Å; L665-M744 HydrophobicContact CD2-SD 3.26Å; L665-M744 WeakPolarHBondContact CD2-SD 3.45Å; L665-M744 HydrophobicContact CG-CE 3.77Å; L665-M744 HydrophobicContact CG-SD 4.16Å; V667-M744 HydrophobicContact CG2-CE 3.46Å; V667-M744 VanDerWaalsContact CG2-CE 3.46Å; M744-L757 HydrophobicContact CE-CD1 4.5Å; M744-L757 HydrophobicContact SD-CD1 4.1Å; M744-L765 HydrophobicContact CE-CD1 3.71Å; M744-L765 HydrophobicContact CE-CD2 4.29Å; M744-L765 HydrophobicContact CG-CD1 4.38Å; M744-L765 HydrophobicContact SD-CD1 3.87Å; M744-L765 HydrophobicContact SD-CD2 4.24Å; M744-L765 HydrophobicContact SD-CG 4.46Å; M744-N766 PolarHBondContact N-O 2.95Å; M744-V767 HydrophobicContact CB-CG1 4.44Å; M744-V767 HydrophobicContact CB-CG2 4.45Å; M744-V767 CarbonylContact O-C 3.59Å; M744-V767 WeakPolarHBondContact O-CA 3.17Å; M744-V767 HydrophobicContact SD-CG2 4.01Å; M744-F768 PolarHBondContact O-N 3.09Å; M744-N770 PolarHBondContact O-ND2 2.89Å
745E94.3Very high82.4Confident89 Ų8947.8 Ų47.842%0.41628%0.279SS..EExtended strand (participates in β ladder)trans-130.1132.2-175.4-171.5175.6-175.700112.9L652 L653 G654 L743 N747 F768L652-E745 PolarHBondContact O-N 3.45Å; L653-E745 CarbonylContact C-O 3.59Å; L653-E745 VanDerWaalsContact CA-O 3.29Å; L653-E745 WeakPolarHBondContact CA-O 3.25Å; L653-E745 HydrophobicContact CD2-CB 3.73Å; G654-E745 PolarHBondContact N-O 3.01Å; L743-E745 HydrophobicContact CD1-CB 4.39Å; L743-E745 HydrophobicContact CG-CB 4.41Å; E745-N747 PolarHBondContact N-ND2 3.32Å; E745-N747 VanDerWaalsContact N-ND2 3.2Å; E745-N747 PolarHBondContact O-N 3Å; E745-N747 VanDerWaalsContact O-N 3.11Å; E745-N747 PolarHBondContact O-ND2 2.96Å; E745-F768 WeakPolarHBondContact CA-O 3.32Å; E745-F768 HydrophobicContact CB-CB 4.46Å; E745-F768 HydrophobicContact CG-CB 4.14Å
746G93.2Very high85.3Confident33 Ų3343.1 Ų43.134%0.3424%0.241SC..SBendtrans65.815.1172.100000115.3G654 F768 A769 N770G654-G746 WeakPolarHBondContact CA-O 2.73Å; G746-F768 PolarHBondContact N-O 2.76Å; G746-A769 WeakPolarHBondContact CA-O 3.46Å; G746-N770 PolarHBondContact N-OD1 2.94Å
747N96.1Very high87.4Confident0 Ų038.5 Ų38.50%022%0.224CC..  trans-79.1151.1-179.4-53.9-82.6000111.1L652 G654 N655 E745 V749 N770 L771L652-N747 PolarHBondContact O-ND2 2.93Å; G654-N747 PolarHBondContact N-OD1 3.1Å; N655-N747 WeakPolarHBondContact CB-OD1 3.2Å; N655-N747 PolarHBondContact N-OD1 3.33Å; N655-N747 PolarHBondContact ND2-OD1 3.18Å; N655-N747 WeakPolarHBondContact O-CA 3.32Å; E745-N747 PolarHBondContact N-ND2 3.32Å; E745-N747 VanDerWaalsContact N-ND2 3.2Å; E745-N747 PolarHBondContact O-N 3Å; E745-N747 VanDerWaalsContact O-N 3.11Å; E745-N747 PolarHBondContact O-ND2 2.96Å; N747-V749 HydrophobicContact CB-CG2 4.44Å; N747-N770 WeakPolarHBondContact CA-OD1 3.29Å; N747-N770 VanDerWaalsContact CB-OD1 3.24Å; N747-N770 WeakPolarHBondContact CB-OD1 3.31Å; N747-N770 PolarHBondContact N-OD1 3.1Å; N747-N770 PolarHBondContact ND2-OD1 2.83Å; N747-N770 CarbonylContact O-C 3.54Å; N747-N770 VanDerWaalsContact O-CA 3.31Å; N747-N770 WeakPolarHBondContact O-CA 3.46Å; N747-N770 WeakPolarHBondContact O-CB 3.43Å; N747-L771 PolarHBondContact O-N 3.4Å
748C95.5Very high89.8Confident4 Ų429.5 Ų29.53%0.02719%0.19CC..EExtended strand (participates in β ladder)trans-108.4114.4172.9-169.60000109.6A387 N655 Y656 I657 S750A387-C748 VanDerWaalsContact CA-SG 3.52Å; A387-C748 HydrophobicContact CB-CB 4.45Å; A387-C748 WeakPolarHBondContact CB-SG 3.29Å; N655-C748 PolarHBondContact O-N 2.98Å; Y656-C748 HydrophobicContact CD1-CB 4.04Å; Y656-C748 HydrophobicContact CE1-CB 4.48Å; I657-C748 PolarHBondContact N-O 2.96Å; C748-S750 PolarHBondContact SG-OG 3.14Å
749V96.9Very high91.9Very high1 Ų123.7 Ų23.71%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-119.595.4-175.6-170.70000109.5I657 N747 N752 G756 L771 M772 N773 N775I657-V749 HydrophobicContact CB-CG2 4.42Å; I657-V749 HydrophobicContact CD1-CG2 4.36Å; I657-V749 WeakPolarHBondContact O-CA 3.35Å; N747-V749 HydrophobicContact CB-CG2 4.44Å; V749-N752 WeakPolarHBondContact CG1-ND2 3.46Å; V749-G756 WeakPolarHBondContact CG1-O 3.47Å; V749-L771 PolarHBondContact N-O 2.97Å; V749-M772 HydrophobicContact CB-CG 4.22Å; V749-M772 VanDerWaalsContact O-CA 3.32Å; V749-M772 WeakPolarHBondContact O-CA 3.32Å; V749-N773 PolarHBondContact O-N 2.76Å; V749-N775 PolarHBondContact O-ND2 3.43Å
750S95.1Very high93.3Very high0 Ų025.9 Ų25.90%016%0.157CC..EExtended strand (participates in β ladder)trans-134.4147.4-160.9-46.80000113.8A387 I657 I658 H659 C748 N752 N773A387-S750 PolarHBondContact O-OG 2.77Å; I657-S750 PolarHBondContact O-N 3.48Å; I657-S750 VanDerWaalsContact O-N 3.09Å; I658-S750 CarbonylContact C-O 3.58Å; I658-S750 WeakPolarHBondContact CA-O 3.35Å; H659-S750 PolarHBondContact N-O 2.75Å; C748-S750 PolarHBondContact SG-OG 3.14Å; S750-N752 PolarHBondContact N-ND2 3.28Å; S750-N752 PolarHBondContact O-N 3.41Å; S750-N752 PolarHBondContact O-ND2 3.22Å; S750-N773 WeakPolarHBondContact CA-O 3.14Å; S750-N773 WeakPolarHBondContact CB-OD1 3.26Å; S750-N773 PolarHBondContact OG-OD1 3.46Å
751Y95.3Very high93.9Very high47 Ų4721 Ų2118%0.18412%0.123CC..SBendtrans56.524.3172.6-57.1-85.3000115.1A387 S388 S389 H659 N773 R774A387-Y751 WeakPolarHBondContact O-CE2 3.42Å; S388-Y751 VanDerWaalsContact C-OH 3.26Å; S388-Y751 PolarHBondContact O-OH 2.79Å; S388-Y751 VanDerWaalsContact O-OH 3.05Å; S389-Y751 WeakPolarHBondContact O-CE2 3.49Å; H659-Y751 WeakPolarHBondContact CA-O 3.16Å; H659-Y751 WeakPolarHBondContact CE1-CB 3.33Å; H659-Y751 AromaticContact CE1-CD1 3.97Å; H659-Y751 AromaticContact CE1-CG 3.53Å; H659-Y751 WeakPolarHBondContact ND1-CB 3.34Å; H659-Y751 AromaticContact NE2-CD2 3.78Å; H659-Y751 AromaticContact NE2-CG 3.79Å; Y751-N773 PolarHBondContact N-O 3.48Å; Y751-N773 VanDerWaalsContact N-O 3.13Å; Y751-R774 VanDerWaalsContact CA-O 3.29Å; Y751-R774 WeakPolarHBondContact CA-O 3.4Å; Y751-R774 HydrophobicContact CD1-CB 3.87Å; Y751-R774 HydrophobicContact CE1-CB 3.79Å; Y751-R774 VanDerWaalsContact CE1-CD 3.48Å; Y751-R774 HydrophobicContact CE1-CG 4.28Å; Y751-R774 HydrophobicContact CG-CB 4.35Å; Y751-R774 VanDerWaalsContact CZ-CD 3.46Å; Y751-R774 VanDerWaalsContact OH-CD 3.26Å; Y751-R774 WeakPolarHBondContact OH-CD 3.47Å
752N96.8Very high94Very high0 Ų021.1 Ų21.10%013%0.125CC..  trans-82.1149.9178.2-56.8-78.5000110.9I657 N660 G664 V749 S750 A754 N775 C776I657-N752 PolarHBondContact O-ND2 3.02Å; I657-N752 VanDerWaalsContact O-ND2 3.1Å; N660-N752 WeakPolarHBondContact CB-OD1 3.43Å; N660-N752 PolarHBondContact N-OD1 3.34Å; N660-N752 PolarHBondContact ND2-OD1 3.2Å; N660-N752 CarbonylContact O-C 3.57Å; N660-N752 VanDerWaalsContact O-CA 3.31Å; N660-N752 WeakPolarHBondContact O-CA 3.49Å; G664-N752 VanDerWaalsContact CA-CG 3.48Å; V749-N752 WeakPolarHBondContact CG1-ND2 3.46Å; S750-N752 PolarHBondContact N-ND2 3.28Å; S750-N752 PolarHBondContact O-N 3.41Å; S750-N752 PolarHBondContact O-ND2 3.22Å; N752-A754 VanDerWaalsContact C-N 3.26Å; N752-A754 PolarHBondContact O-N 3.13Å; N752-N775 VanDerWaalsContact CB-OD1 3.32Å; N752-N775 WeakPolarHBondContact CB-OD1 3.32Å; N752-N775 PolarHBondContact N-OD1 2.97Å; N752-N775 PolarHBondContact ND2-OD1 3.41Å; N752-N775 WeakPolarHBondContact O-CA 3.35Å; N752-C776 PolarHBondContact O-N 2.8Å
753G95.4Very high93.9Very high37 Ų3723.1 Ų23.138%0.38113%0.133SC..SBendtrans-71.8-11.3-171.300000115.5N660 C661 M662 C776N660-G753 PolarHBondContact O-N 2.89Å; C661-G753 WeakPolarHBondContact O-CA 3.45Å; M662-G753 PolarHBondContact O-N 3.32Å; G753-C776 VanDerWaalsContact O-CB 3.29Å; G753-C776 WeakPolarHBondContact O-CB 3.35Å
754A95.8Very high93.7Very high24 Ų2422.5 Ų22.520%0.19813%0.133CC..SBendtrans-130.5-128174.700000111.3M662 Y663 N752 G777M662-A754 WeakPolarHBondContact O-CB 3.23Å; M662-A754 PolarHBondContact O-N 3.28Å; Y663-A754 HydrophobicContact CD1-CB 3.71Å; Y663-A754 HydrophobicContact CE1-CB 3.85Å; N752-A754 VanDerWaalsContact C-N 3.26Å; N752-A754 PolarHBondContact O-N 3.13Å; A754-G777 VanDerWaalsContact O-CA 3.3Å; A754-G777 WeakPolarHBondContact O-CA 3.33Å; A754-G777 PolarHBondContact O-N 3.5Å
755V96.5Very high93.6Very high14 Ų1422.6 Ų22.69%0.08513%0.133CC..  trans-79.1145.4-180-165.40000110.5Y663 G664 L757 Y758 P778 A781Y663-V755 VanDerWaalsContact CA-O 3.3Å; Y663-V755 WeakPolarHBondContact CA-O 3.38Å; Y663-V755 HydrophobicContact CD1-CB 3.85Å; Y663-V755 HydrophobicContact CD1-CG2 3.88Å; Y663-V755 HydrophobicContact CE1-CB 4.36Å; Y663-V755 HydrophobicContact CE1-CG2 3.87Å; G664-V755 PolarHBondContact N-O 3.12Å; V755-L757 VanDerWaalsContact CG1-O 3.24Å; V755-L757 WeakPolarHBondContact CG1-O 3.01Å; V755-Y758 HydrophobicContact CG2-CD2 4.25Å; V755-P778 WeakPolarHBondContact CA-O 3.39Å; V755-P778 HydrophobicContact CG1-CB 4.41Å; V755-P778 WeakPolarHBondContact CG1-O 3.32Å; V755-A781 HydrophobicContact CG1-CB 3.81Å; V755-A781 HydrophobicContact CG2-CB 4.41Å
756G96.4Very high93.6Very high0 Ų019.8 Ų19.80%012%0.121CC..SBendtrans-60.8-68.3168.800000111.2G664 L665 V749 P778 G779G664-G756 CarbonylContact C-O 3.58Å; G664-G756 WeakPolarHBondContact CA-O 3.16Å; G664-G756 PolarHBondContact N-O 3.09Å; L665-G756 PolarHBondContact N-O 2.91Å; V749-G756 WeakPolarHBondContact CG1-O 3.47Å; G756-P778 PolarHBondContact N-O 3.06Å; G756-P778 VanDerWaalsContact N-O 3.08Å; G756-G779 CarbonylContact C-O 3.58Å; G756-G779 VanDerWaalsContact CA-O 3.28Å; G756-G779 WeakPolarHBondContact CA-O 3.3Å; G756-G779 PolarHBondContact N-O 2.78Å
757L97.5Very high93.7Very high0 Ų018.3 Ų18.30%011%0.105CC..EExtended strand (participates in β ladder)trans-114.1119.7173.3172.364.2000111.3L665 V667 M744 V755 V759 V767 M772 G779 V780 A781 L791L665-L757 HydrophobicContact CB-CD1 4.23Å; L665-L757 HydrophobicContact CD2-CD1 4.06Å; L665-L757 HydrophobicContact CG-CD1 3.86Å; L665-L757 CarbonylContact O-C 3.56Å; L665-L757 WeakPolarHBondContact O-CA 2.98Å; V667-L757 HydrophobicContact CG2-CD1 4.44Å; M744-L757 HydrophobicContact CE-CD1 4.5Å; M744-L757 HydrophobicContact SD-CD1 4.1Å; V755-L757 VanDerWaalsContact CG1-O 3.24Å; V755-L757 WeakPolarHBondContact CG1-O 3.01Å; L757-V759 HydrophobicContact CD1-CG2 3.94Å; L757-V759 HydrophobicContact CD2-CG2 4.14Å; L757-V759 HydrophobicContact CG-CG2 3.87Å; L757-V767 HydrophobicContact CD2-CG1 4.02Å; L757-V767 HydrophobicContact CD2-CG2 3.85Å; L757-M772 HydrophobicContact CB-CE 3.63Å; L757-M772 HydrophobicContact CB-SD 3.85Å; L757-M772 HydrophobicContact CD2-CE 3.88Å; L757-M772 HydrophobicContact CG-CE 4.37Å; L757-G779 PolarHBondContact N-O 2.89Å; L757-V780 HydrophobicContact CB-CG1 4.37Å; L757-V780 HydrophobicContact CB-CG2 4.28Å; L757-V780 HydrophobicContact CD2-CG1 4.08Å; L757-V780 HydrophobicContact CG-CG1 4.31Å; L757-V780 CarbonylContact O-C 3.53Å; L757-V780 WeakPolarHBondContact O-CA 2.82Å; L757-A781 PolarHBondContact O-N 2.8Å; L757-L791 HydrophobicContact CD2-CD2 4.21Å
758Y96.9Very high93.6Very high28 Ų2820.6 Ų20.611%0.1112%0.115CC..EExtended strand (participates in β ladder)trans-109.4122.3174.9-177.5-85000110.6Y663 L665 A666 V667 F668 V755 K760 L783Y663-Y758 HydrophobicContact CD1-CD2 4.3Å; Y663-Y758 HydrophobicContact CD1-CG 4.31Å; Y663-Y758 AromaticContact CE1-CD2 3.86Å; Y663-Y758 HydrophobicContact CE1-CD2 3.86Å; Y663-Y758 HydrophobicContact CE1-CE2 4.42Å; Y663-Y758 HydrophobicContact CE1-CG 4.22Å; L665-Y758 PolarHBondContact O-N 3.2Å; A666-Y758 CarbonylContact C-O 3.57Å; A666-Y758 WeakPolarHBondContact CA-O 3.21Å; A666-Y758 HydrophobicContact CB-CD1 4.45Å; V667-Y758 PolarHBondContact N-O 2.82Å; F668-Y758 HydrophobicContact CD1-CE1 4.06Å; F668-Y758 AromaticContact CE1-CD1 3.93Å; F668-Y758 HydrophobicContact CE1-CD1 3.93Å; F668-Y758 AromaticContact CE1-CE1 3.33Å; F668-Y758 HydrophobicContact CE1-CE1 3.33Å; F668-Y758 HydrophobicContact CE2-CD1 4.49Å; F668-Y758 AromaticContact CZ-CD1 3.85Å; F668-Y758 HydrophobicContact CZ-CD1 3.85Å; F668-Y758 AromaticContact CZ-CE1 3.69Å; F668-Y758 HydrophobicContact CZ-CE1 3.69Å; V755-Y758 HydrophobicContact CG2-CD2 4.25Å; Y758-K760 HydrophobicContact CD1-CB 4.49Å; Y758-K760 HydrophobicContact CE1-CB 3.67Å; Y758-L783 HydrophobicContact CE2-CD1 3.48Å; Y758-L783 VanDerWaalsContact CE2-CD1 3.48Å; Y758-L783 HydrophobicContact CE2-CG 4.16Å; Y758-L783 WeakPolarHBondContact OH-CD1 3.5Å
759V94.9Very high93.5Very high1 Ų121.5 Ų21.51%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-122.4116.1-179.6-175.20000110.2L757 L765 A781 V782 L783L757-V759 HydrophobicContact CD1-CG2 3.94Å; L757-V759 HydrophobicContact CD2-CG2 4.14Å; L757-V759 HydrophobicContact CG-CG2 3.87Å; V759-L765 HydrophobicContact CG1-CD2 4.33Å; V759-L765 HydrophobicContact CG2-CD2 3.76Å; V759-A781 PolarHBondContact N-O 3.17Å; V759-V782 HydrophobicContact CB-CB 4.46Å; V759-V782 HydrophobicContact CB-CG1 4.24Å; V759-V782 HydrophobicContact CB-CG2 4.25Å; V759-V782 HydrophobicContact CG1-CG1 4.31Å; V759-V782 HydrophobicContact CG2-CG2 4.41Å; V759-L783 PolarHBondContact O-N 3.36Å
760K92.8Very high93.5Very high88 Ų8821.6 Ų21.638%0.38312%0.123SC..EExtended strand (participates in β ladder)trans-132.664.8169.5-169.9-179.3-179.2174.90108.3V667 F668 C669 Y758 Q784V667-K760 CarbonylContact O-C 3.47Å; V667-K760 PolarHBondContact O-N 2.84Å; F668-K760 CarbonylContact C-O 3.56Å; F668-K760 WeakPolarHBondContact CA-O 3.46Å; F668-K760 HydrophobicContact CD1-CB 4.23Å; C669-K760 PolarHBondContact N-O 2.93Å; Y758-K760 HydrophobicContact CD1-CB 4.49Å; Y758-K760 HydrophobicContact CE1-CB 3.67Å; K760-Q784 CarbonylContact C-O 3.56Å; K760-Q784 HydrophobicContact CB-CB 4.48Å; K760-Q784 HydrophobicContact CG-CB 3.77Å
761S85.6Confident93.5Very high3 Ų321.6 Ų21.62%0.02112%0.123CC..  trans-143.3133-174.4-179.80000112.5C669 E763 Q784 S785C669-S761 WeakPolarHBondContact SG-CA 3.23Å; C669-S761 PolarHBondContact SG-OG 2.83Å; S761-E763 PolarHBondContact O-N 3.11Å; S761-E763 PolarHBondContact OG-N 2.88Å; S761-Q784 CarbonylContact C-O 3.6Å; S761-Q784 PolarHBondContact N-O 3.06Å; S761-S785 VanDerWaalsContact O-CA 3.25Å; S761-S785 WeakPolarHBondContact O-CA 3.42Å
762S84.4Confident93.5Very high33 Ų3319.5 Ų19.523%0.23112%0.115CC..SBendtrans-74.2-3.9173.3-670000114C669 T786 Q787C669-S762 PolarHBondContact SG-N 3.15Å; S762-T786 WeakPolarHBondContact CA-OG1 3.33Å; S762-T786 WeakPolarHBondContact CB-OG1 3.39Å; S762-T786 PolarHBondContact O-OG1 2.68Å; S762-T786 VanDerWaalsContact O-OG1 3.11Å; S762-T786 PolarHBondContact OG-OG1 2.81Å; S762-Q787 VanDerWaalsContact O-CB 3.31Å; S762-Q787 WeakPolarHBondContact O-CB 3.29Å; S762-Q787 VanDerWaalsContact O-CG 3.26Å; S762-Q787 WeakPolarHBondContact O-CG 3.41Å; S762-Q787 PolarHBondContact O-N 3.14Å
763E86.6Confident93.5Very high50 Ų5019.5 Ų19.523%0.23412%0.115CC..SBendtrans-90153.5-179.2-69.7169.9-160.400112.1S646 S647 S761S646-E763 PolarHBondContact OG-OE1 2.82Å; S647-E763 VanDerWaalsContact CA-OE1 3.27Å; S647-E763 WeakPolarHBondContact CA-OE1 3.31Å; S647-E763 WeakPolarHBondContact CA-OE2 3.34Å; S647-E763 PolarHBondContact N-OE1 3.08Å; S647-E763 PolarHBondContact N-OE2 3.24Å; S647-E763 PolarHBondContact OG-OE1 2.78Å; S761-E763 PolarHBondContact O-N 3.11Å; S761-E763 PolarHBondContact OG-N 2.88Å
764A88.3Confident93.4Very high19 Ų1923.1 Ų23.116%0.15712%0.118CC..  trans-6413817500000110.5V741 Q787V741-A764 HydrophobicContact CG1-CB 3.82Å; V741-A764 VanDerWaalsContact CG1-O 3.31Å; V741-A764 WeakPolarHBondContact CG1-O 3.2Å; V741-A764 HydrophobicContact CG2-CB 4.18Å; A764-Q787 HydrophobicContact CB-CB 4.22Å
765L91.8Very high93.5Very high4 Ų422 Ų222%0.02111%0.109CC..EExtended strand (participates in β ladder)trans-136.5135.2179.7179.163.9000110.7V667 A742 M744 V759 V767 L788 T789 R790V667-L765 HydrophobicContact CG2-CD2 4.17Å; A742-L765 HydrophobicContact CB-CD1 3.95Å; M744-L765 HydrophobicContact CE-CD1 3.71Å; M744-L765 HydrophobicContact CE-CD2 4.29Å; M744-L765 HydrophobicContact CG-CD1 4.38Å; M744-L765 HydrophobicContact SD-CD1 3.87Å; M744-L765 HydrophobicContact SD-CD2 4.24Å; M744-L765 HydrophobicContact SD-CG 4.46Å; V759-L765 HydrophobicContact CG1-CD2 4.33Å; V759-L765 HydrophobicContact CG2-CD2 3.76Å; L765-V767 HydrophobicContact CD1-CG2 4.47Å; L765-V767 HydrophobicContact CD2-CG2 3.92Å; L765-V767 HydrophobicContact CG-CG2 3.82Å; L765-L788 PolarHBondContact N-O 3.46Å; L765-T789 HydrophobicContact CB-CG2 4.3Å; L765-T789 HydrophobicContact CD2-CG2 4.39Å; L765-T789 WeakPolarHBondContact O-CA 3.29Å; L765-R790 PolarHBondContact O-N 3.44Å
766N93.4Very high93.5Very high30 Ų3025.3 Ų25.316%0.1613%0.131CC..EExtended strand (participates in β ladder)trans-116.5116.2-179.2-83-14.5000110.2V741 A742 L743 M744 F768 R790V741-N766 HydrophobicContact CG1-CB 4.35Å; A742-N766 PolarHBondContact O-N 3.39Å; A742-N766 VanDerWaalsContact O-N 3.11Å; L743-N766 HydrophobicContact CD1-CB 3.96Å; M744-N766 PolarHBondContact N-O 2.95Å; N766-F768 HydrophobicContact CB-CD2 4.01Å; N766-F768 HydrophobicContact CB-CE2 3.58Å; N766-R790 PolarHBondContact OD1-NH1 3.02Å
767V95.6Very high93.4Very high1 Ų125.6 Ų25.61%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-124.3103.5-176.8-171.70000109.3M744 L757 L765 N770 M772 R790 L791 V792 N794M744-V767 HydrophobicContact CB-CG1 4.44Å; M744-V767 HydrophobicContact CB-CG2 4.45Å; M744-V767 CarbonylContact O-C 3.59Å; M744-V767 WeakPolarHBondContact O-CA 3.17Å; M744-V767 HydrophobicContact SD-CG2 4.01Å; L757-V767 HydrophobicContact CD2-CG1 4.02Å; L757-V767 HydrophobicContact CD2-CG2 3.85Å; L765-V767 HydrophobicContact CD1-CG2 4.47Å; L765-V767 HydrophobicContact CD2-CG2 3.92Å; L765-V767 HydrophobicContact CG-CG2 3.82Å; V767-N770 WeakPolarHBondContact CG1-ND2 3.48Å; V767-M772 HydrophobicContact CG1-CE 4.02Å; V767-R790 PolarHBondContact N-O 3.25Å; V767-L791 HydrophobicContact CB-CD2 3.52Å; V767-L791 HydrophobicContact CG1-CD2 4.01Å; V767-L791 HydrophobicContact CG2-CD2 3.59Å; V767-V792 PolarHBondContact O-N 3.01Å; V767-N794 PolarHBondContact O-ND2 2.88Å
768F94.1Very high93.4Very high49 Ų4926.7 Ų26.722%0.21514%0.141CC..EExtended strand (participates in β ladder)trans-119.3132.2-171.2-71.2-83.1000112.5L743 M744 E745 G746 N766 N770 V792L743-F768 HydrophobicContact CD1-CD2 3.8Å; L743-F768 HydrophobicContact CD1-CE2 4.37Å; M744-F768 PolarHBondContact O-N 3.09Å; E745-F768 WeakPolarHBondContact CA-O 3.32Å; E745-F768 HydrophobicContact CB-CB 4.46Å; E745-F768 HydrophobicContact CG-CB 4.14Å; G746-F768 PolarHBondContact N-O 2.76Å; N766-F768 HydrophobicContact CB-CD2 4.01Å; N766-F768 HydrophobicContact CB-CE2 3.58Å; F768-N770 PolarHBondContact N-ND2 3.23Å; F768-N770 PolarHBondContact O-N 3.12Å; F768-N770 PolarHBondContact O-ND2 2.87Å; F768-V792 WeakPolarHBondContact CA-O 3.24Å; F768-V792 HydrophobicContact CD1-CB 3.49Å; F768-V792 VanDerWaalsContact CD1-CB 3.49Å; F768-V792 HydrophobicContact CD1-CG1 3.84Å; F768-V792 HydrophobicContact CD1-CG2 4.24Å; F768-V792 HydrophobicContact CE1-CB 3.4Å; F768-V792 HydrophobicContact CE1-CG1 3.72Å; F768-V792 HydrophobicContact CE1-CG2 3.65Å; F768-V792 HydrophobicContact CZ-CB 4.38Å; F768-V792 HydrophobicContact CZ-CG2 4.24Å
769A94.2Very high93.3Very high23 Ų2325.3 Ų25.319%0.1914%0.136CC..SBendtrans54.830.9168.300000115.4L372 G746 V792 T793 N794L372-A769 WeakPolarHBondContact CD1-O 3.33Å; G746-A769 WeakPolarHBondContact CA-O 3.46Å; A769-V792 PolarHBondContact N-O 3.07Å; A769-T793 VanDerWaalsContact CA-O 3.31Å; A769-T793 WeakPolarHBondContact CA-O 3.38Å; A769-T793 PolarHBondContact N-OG1 3.04Å; A769-N794 PolarHBondContact N-OD1 2.79Å
770N95.8Very high93.5Very high2 Ų225.4 Ų25.41%0.01114%0.136CC..  trans-89.3146.2178.1-56.7-86.3000110.8M744 G746 N747 V767 F768 M772 N794 C795M744-N770 PolarHBondContact O-ND2 2.89Å; G746-N770 PolarHBondContact N-OD1 2.94Å; N747-N770 WeakPolarHBondContact CA-OD1 3.29Å; N747-N770 VanDerWaalsContact CB-OD1 3.24Å; N747-N770 WeakPolarHBondContact CB-OD1 3.31Å; N747-N770 PolarHBondContact N-OD1 3.1Å; N747-N770 PolarHBondContact ND2-OD1 2.83Å; N747-N770 CarbonylContact O-C 3.54Å; N747-N770 VanDerWaalsContact O-CA 3.31Å; N747-N770 WeakPolarHBondContact O-CA 3.46Å; N747-N770 WeakPolarHBondContact O-CB 3.43Å; V767-N770 WeakPolarHBondContact CG1-ND2 3.48Å; F768-N770 PolarHBondContact N-ND2 3.23Å; F768-N770 PolarHBondContact O-N 3.12Å; F768-N770 PolarHBondContact O-ND2 2.87Å; N770-M772 HydrophobicContact CB-CE 4.1Å; N770-N794 WeakPolarHBondContact CB-OD1 3.38Å; N770-N794 PolarHBondContact N-OD1 2.88Å; N770-N794 PolarHBondContact ND2-OD1 2.84Å; N770-N794 VanDerWaalsContact ND2-OD1 3.08Å; N770-N794 CarbonylContact O-C 3.55Å; N770-N794 WeakPolarHBondContact O-CA 3.28Å; N770-N794 WeakPolarHBondContact O-CB 3.39Å; N770-C795 PolarHBondContact O-N 3.46Å
771L95.6Very high93.7Very high0 Ų021.5 Ų21.50%012%0.121CC..EExtended strand (participates in β ladder)trans-97.8124.9169.7174.962.8000109L375 L376 A387 N747 V749 N773 C795 V797L375-L771 HydrophobicContact CB-CD2 3.65Å; L375-L771 HydrophobicContact CD1-CB 4.15Å; L375-L771 HydrophobicContact CD1-CD2 4.16Å; L376-L771 HydrophobicContact CD1-CD1 4.31Å; L376-L771 HydrophobicContact CD2-CD1 4.16Å; L376-L771 HydrophobicContact CD2-CD2 3.81Å; L376-L771 HydrophobicContact CG-CD1 4.35Å; L376-L771 HydrophobicContact CG-CD2 4.13Å; A387-L771 HydrophobicContact CB-CD2 4.06Å; N747-L771 PolarHBondContact O-N 3.4Å; V749-L771 PolarHBondContact N-O 2.97Å; L771-N773 HydrophobicContact CD1-CB 4.31Å; L771-C795 WeakPolarHBondContact CA-O 3.18Å; L771-C795 HydrophobicContact CD1-CB 3.94Å; L771-V797 HydrophobicContact CD1-CG1 3.98Å
772M96.1Very high94.2Very high3 Ų321.4 Ų21.42%0.01512%0.12CC..EExtended strand (participates in β ladder)trans-127.5102.4176.3-58-178.4-173.500109.4V749 L757 V767 N770 V780 C795 I796 V797 N799V749-M772 HydrophobicContact CB-CG 4.22Å; V749-M772 VanDerWaalsContact O-CA 3.32Å; V749-M772 WeakPolarHBondContact O-CA 3.32Å; L757-M772 HydrophobicContact CB-CE 3.63Å; L757-M772 HydrophobicContact CB-SD 3.85Å; L757-M772 HydrophobicContact CD2-CE 3.88Å; L757-M772 HydrophobicContact CG-CE 4.37Å; V767-M772 HydrophobicContact CG1-CE 4.02Å; N770-M772 HydrophobicContact CB-CE 4.1Å; M772-V780 HydrophobicContact CE-CG2 4.12Å; M772-V780 HydrophobicContact SD-CG2 3.33Å; M772-V780 WeakPolarHBondContact SD-CG2 3.46Å; M772-C795 PolarHBondContact N-O 3.11Å; M772-I796 HydrophobicContact CB-CG1 4.41Å; M772-I796 WeakPolarHBondContact O-CA 3.22Å; M772-V797 PolarHBondContact O-N 2.95Å; M772-N799 PolarHBondContact O-ND2 2.87Å; M772-N799 VanDerWaalsContact O-ND2 3.09Å
773N94.9Very high94.6Very high0 Ų022.7 Ų22.70%012%0.124CC..EExtended strand (participates in β ladder)trans-135.5149.6-173.370.6-27.8000114.8L376 A387 V749 S750 Y751 L771 N775 V797L376-N773 VanDerWaalsContact CD2-ND2 3.28Å; L376-N773 WeakPolarHBondContact CD2-ND2 3.34Å; A387-N773 PolarHBondContact O-ND2 2.9Å; A387-N773 VanDerWaalsContact O-ND2 3.14Å; A387-N773 PolarHBondContact O-OD1 2.86Å; V749-N773 PolarHBondContact O-N 2.76Å; S750-N773 WeakPolarHBondContact CA-O 3.14Å; S750-N773 WeakPolarHBondContact CB-OD1 3.26Å; S750-N773 PolarHBondContact OG-OD1 3.46Å; Y751-N773 PolarHBondContact N-O 3.48Å; Y751-N773 VanDerWaalsContact N-O 3.13Å; L771-N773 HydrophobicContact CD1-CB 4.31Å; N773-N775 PolarHBondContact O-N 2.82Å; N773-N775 PolarHBondContact O-ND2 2.77Å; N773-V797 WeakPolarHBondContact CA-O 3.47Å; N773-V797 HydrophobicContact CB-CG1 3.52Å; N773-V797 VanDerWaalsContact CB-O 3.25Å; N773-V797 WeakPolarHBondContact CB-O 3.35Å
774R94.9Very high94.8Very high114 Ų11424 Ų2443%0.4313%0.13SC..SBendtrans54.227.4171.5-62.2179.8177.6-95.3-1.8114.7Y751 V797 E798 N799Y751-R774 VanDerWaalsContact CA-O 3.29Å; Y751-R774 WeakPolarHBondContact CA-O 3.4Å; Y751-R774 HydrophobicContact CD1-CB 3.87Å; Y751-R774 HydrophobicContact CE1-CB 3.79Å; Y751-R774 VanDerWaalsContact CE1-CD 3.48Å; Y751-R774 HydrophobicContact CE1-CG 4.28Å; Y751-R774 HydrophobicContact CG-CB 4.35Å; Y751-R774 VanDerWaalsContact CZ-CD 3.46Å; Y751-R774 VanDerWaalsContact OH-CD 3.26Å; Y751-R774 WeakPolarHBondContact OH-CD 3.47Å; R774-V797 PolarHBondContact N-O 3.45Å; R774-E798 WeakPolarHBondContact CA-O 3.26Å; R774-E798 HydrophobicContact CG-CB 3.87Å; R774-E798 IonicContact CZ-OE1 2.8Å; R774-E798 IonicContact CZ-OE2 2.89Å; R774-E798 PolarHBondContact N-O 2.84Å; R774-E798 IonicContact NE-OE2 3.21Å; R774-E798 PolarHBondContact NE-OE2 2.89Å; R774-E798 IonicContact NH2-OE1 3.62Å; R774-E798 PolarHBondContact NH2-OE1 2.78Å; R774-E798 IonicContact NH2-OE2 2.65Å; R774-E798 PolarHBondContact NH2-OE2 2.82Å; R774-N799 PolarHBondContact N-OD1 2.97Å
775N96.8Very high94.7Very high1 Ų123.1 Ų23.11%0.00512%0.123CC..  trans-77.2147.5169.9-57-76.3000109.2V749 N752 N773 G777 N799 G800V749-N775 PolarHBondContact O-ND2 3.43Å; N752-N775 VanDerWaalsContact CB-OD1 3.32Å; N752-N775 WeakPolarHBondContact CB-OD1 3.32Å; N752-N775 PolarHBondContact N-OD1 2.97Å; N752-N775 PolarHBondContact ND2-OD1 3.41Å; N752-N775 WeakPolarHBondContact O-CA 3.35Å; N773-N775 PolarHBondContact O-N 2.82Å; N773-N775 PolarHBondContact O-ND2 2.77Å; N775-G777 VanDerWaalsContact C-N 3.28Å; N775-G777 PolarHBondContact O-N 2.87Å; N775-N799 WeakPolarHBondContact CB-OD1 3.41Å; N775-N799 PolarHBondContact N-OD1 2.91Å; N775-N799 VanDerWaalsContact N-OD1 3.11Å; N775-N799 PolarHBondContact ND2-OD1 3.2Å; N775-G800 PolarHBondContact O-N 2.94Å
776C96.2Very high94.4Very high82 Ų8226.6 Ų26.655%0.55414%0.144SC*.SBendtrans-66.6-29.7-176.7-65.60000113.1N752 G753N752-C776 PolarHBondContact O-N 2.8Å; G753-C776 VanDerWaalsContact O-CB 3.29Å; G753-C776 WeakPolarHBondContact O-CB 3.35Å
777G95.8Very high94.2Very high7 Ų730.4 Ų30.47%0.07216%0.161CC..SBendtrans-96.2-157176.400000113A754 N775 G800 R801A754-G777 VanDerWaalsContact O-CA 3.3Å; A754-G777 WeakPolarHBondContact O-CA 3.33Å; A754-G777 PolarHBondContact O-N 3.5Å; N775-G777 VanDerWaalsContact C-N 3.28Å; N775-G777 PolarHBondContact O-N 2.87Å; G777-G800 PolarHBondContact O-N 3.43Å; G777-R801 PolarHBondContact O-N 2.73Å
778P96.3Very high94Very high22 Ų2232.9 Ų32.914%0.14317%0.174CC..  trans-65.2156.5171-21.734.1000112.6V755 G756 R801 G802V755-P778 WeakPolarHBondContact CA-O 3.39Å; V755-P778 HydrophobicContact CG1-CB 4.41Å; V755-P778 WeakPolarHBondContact CG1-O 3.32Å; G756-P778 PolarHBondContact N-O 3.06Å; G756-P778 VanDerWaalsContact N-O 3.08Å; P778-R801 HydrophobicContact CG-CB 4.01Å; P778-G802 CarbonylContact C-O 3.56Å; P778-G802 WeakPolarHBondContact CA-O 3.34Å; P778-G802 WeakPolarHBondContact CB-O 3.32Å
779G96.4Very high94Very high0 Ų030.6 Ų30.60%016%0.164CC..SBendtrans-64.1-50.9171.600000111.6G756 L757 G802 G803G756-G779 CarbonylContact C-O 3.58Å; G756-G779 VanDerWaalsContact CA-O 3.28Å; G756-G779 WeakPolarHBondContact CA-O 3.3Å; G756-G779 PolarHBondContact N-O 2.78Å; L757-G779 PolarHBondContact N-O 2.89Å; G779-G802 PolarHBondContact N-O 3.47Å; G779-G802 VanDerWaalsContact N-O 3.12Å; G779-G803 CarbonylContact C-O 3.54Å; G779-G803 WeakPolarHBondContact CA-O 3.44Å; G779-G803 PolarHBondContact N-O 2.81Å
780V98Very high94.1Very high2 Ų233.5 Ų33.51%0.01217%0.17CC..EExtended strand (participates in β ladder)trans-131.5134.5176.1-176.10000110.5L757 M772 V782 L791 I796 G803 V804 T805L757-V780 HydrophobicContact CB-CG1 4.37Å; L757-V780 HydrophobicContact CB-CG2 4.28Å; L757-V780 HydrophobicContact CD2-CG1 4.08Å; L757-V780 HydrophobicContact CG-CG1 4.31Å; L757-V780 CarbonylContact O-C 3.53Å; L757-V780 WeakPolarHBondContact O-CA 2.82Å; M772-V780 HydrophobicContact CE-CG2 4.12Å; M772-V780 HydrophobicContact SD-CG2 3.33Å; M772-V780 WeakPolarHBondContact SD-CG2 3.46Å; V780-V782 HydrophobicContact CG1-CG2 4.08Å; V780-L791 HydrophobicContact CG1-CD1 3.78Å; V780-I796 HydrophobicContact CG2-CD1 3.64Å; V780-I796 HydrophobicContact CG2-CG1 4.4Å; V780-G803 PolarHBondContact N-O 3.14Å; V780-V804 HydrophobicContact CB-CG1 4.41Å; V780-V804 HydrophobicContact CB-CG2 4.28Å; V780-V804 CarbonylContact O-C 3.47Å; V780-V804 WeakPolarHBondContact O-CA 3.44Å; V780-T805 PolarHBondContact O-N 3.03Å
781A97.3Very high94.1Very high7 Ų733.5 Ų33.56%0.05817%0.17CC..EExtended strand (participates in β ladder)trans-128.8117.4170.200000110.6V755 L757 V759 L783 T805V755-A781 HydrophobicContact CG1-CB 3.81Å; V755-A781 HydrophobicContact CG2-CB 4.41Å; L757-A781 PolarHBondContact O-N 2.8Å; V759-A781 PolarHBondContact N-O 3.17Å; A781-L783 HydrophobicContact CB-CD2 4.39Å; A781-T805 CarbonylContact C-O 3.58Å; A781-T805 WeakPolarHBondContact CA-O 3.31Å
782V95.8Very high94.1Very high0 Ų034.6 Ų34.60%018%0.176CC..EExtended strand (participates in β ladder)trans-109.4103.8174.3-173.40000108.3V759 V780 T805 V806 E807 C810 V812V759-V782 HydrophobicContact CB-CB 4.46Å; V759-V782 HydrophobicContact CB-CG1 4.24Å; V759-V782 HydrophobicContact CB-CG2 4.25Å; V759-V782 HydrophobicContact CG1-CG1 4.31Å; V759-V782 HydrophobicContact CG2-CG2 4.41Å; V780-V782 HydrophobicContact CG1-CG2 4.08Å; V782-T805 PolarHBondContact N-O 3.49Å; V782-V806 HydrophobicContact CB-CG2 4.39Å; V782-V806 WeakPolarHBondContact O-CA 3.44Å; V782-E807 PolarHBondContact O-N 2.87Å; V782-C810 HydrophobicContact CG1-CB 4.23Å; V782-V812 HydrophobicContact CB-CG2 4.19Å; V782-V812 HydrophobicContact CG1-CG2 3.82Å; V782-V812 HydrophobicContact CG2-CG2 4.27Å
783L93.3Very high94.1Very high60 Ų6036.6 Ų36.631%0.31419%0.189SC..EExtended strand (participates in β ladder)trans-100.3-24.2-174.7-54.4-169.6000113.5Y758 V759 A781 E807Y758-L783 HydrophobicContact CE2-CD1 3.48Å; Y758-L783 VanDerWaalsContact CE2-CD1 3.48Å; Y758-L783 HydrophobicContact CE2-CG 4.16Å; Y758-L783 WeakPolarHBondContact OH-CD1 3.5Å; V759-L783 PolarHBondContact O-N 3.36Å; A781-L783 HydrophobicContact CB-CD2 4.39Å; L783-E807 HydrophobicContact CB-CG 4.27Å; L783-E807 HydrophobicContact CD2-CG 3.46Å; L783-E807 VanDerWaalsContact CD2-CG 3.46Å; L783-E807 HydrophobicContact CG-CG 4.44Å
784Q89.7Confident94.2Very high77 Ų7736.7 Ų36.736%0.3619%0.189SC..EExtended strand (participates in β ladder)trans-150.7122.3176.3-176.3179-11.500108.6K760 S761 C810K760-Q784 CarbonylContact C-O 3.56Å; K760-Q784 HydrophobicContact CB-CB 4.48Å; K760-Q784 HydrophobicContact CG-CB 3.77Å; S761-Q784 CarbonylContact C-O 3.6Å; S761-Q784 PolarHBondContact N-O 3.06Å; Q784-C810 VanDerWaalsContact CA-SG 3.55Å; Q784-C810 PolarHBondContact N-SG 3.36Å
785S87.6Confident94.2Very high1 Ų131.2 Ų31.21%0.00717%0.169CC..  trans-159.597.2177.2-164.40000112.8S761 Q787 T789 C810 R811S761-S785 VanDerWaalsContact O-CA 3.25Å; S761-S785 WeakPolarHBondContact O-CA 3.42Å; S785-Q787 PolarHBondContact OG-O 3.25Å; S785-T789 PolarHBondContact OG-OG1 2.93Å; S785-C810 PolarHBondContact N-SG 3.25Å; S785-C810 CarbonylContact O-C 3.6Å; S785-C810 VanDerWaalsContact O-CA 3.31Å; S785-C810 WeakPolarHBondContact O-CA 3.45Å; S785-R811 PolarHBondContact O-N 2.86Å
786T85.7Confident94.2Very high77 Ų7731.3 Ų31.347%0.47217%0.169SC..SBendtrans-80.5-35.6179.861.60000112.5S762 R811S762-T786 WeakPolarHBondContact CA-OG1 3.33Å; S762-T786 WeakPolarHBondContact CB-OG1 3.39Å; S762-T786 PolarHBondContact O-OG1 2.68Å; S762-T786 VanDerWaalsContact O-OG1 3.11Å; S762-T786 PolarHBondContact OG-OG1 2.81Å; T786-R811 WeakPolarHBondContact O-CD 3.37Å
787Q88.8Confident94.2Very high110 Ų11027.5 Ų27.551%0.51414%0.144SC..SBendtrans-86.7167166.5-68.4-162.612.700111.6S762 A764 S785 T789S762-Q787 VanDerWaalsContact O-CB 3.31Å; S762-Q787 WeakPolarHBondContact O-CB 3.29Å; S762-Q787 VanDerWaalsContact O-CG 3.26Å; S762-Q787 WeakPolarHBondContact O-CG 3.41Å; S762-Q787 PolarHBondContact O-N 3.14Å; A764-Q787 HydrophobicContact CB-CB 4.22Å; S785-Q787 PolarHBondContact OG-O 3.25Å; Q787-T789 PolarHBondContact O-N 3.16Å
788L90.9Very high94.1Very high54 Ų5429.9 Ų29.928%0.28315%0.153SC..PPolyproline II helixtrans-72.8118.8-173.8-178.160.4000111.6L765 R790 E813L765-L788 PolarHBondContact N-O 3.46Å; L788-R790 HydrophobicContact CD2-CG 4.03Å; L788-R790 HydrophobicContact CG-CG 3.94Å; L788-E813 HydrophobicContact CD1-CB 4.04Å
789T94.3Very high94.1Very high0 Ų028.9 Ų28.90%015%0.146CC..EExtended strand (participates in β ladder)trans-91.6117.8164.8-65.30000109.6L765 S785 Q787 L791 R811 V812 E813L765-T789 HydrophobicContact CB-CG2 4.3Å; L765-T789 HydrophobicContact CD2-CG2 4.39Å; L765-T789 WeakPolarHBondContact O-CA 3.29Å; S785-T789 PolarHBondContact OG-OG1 2.93Å; Q787-T789 PolarHBondContact O-N 3.16Å; T789-L791 HydrophobicContact CG2-CD2 3.99Å; T789-L791 HydrophobicContact CG2-CG 4.27Å; T789-R811 PolarHBondContact N-O 3.31Å; T789-V812 WeakPolarHBondContact O-CA 3.31Å; T789-E813 PolarHBondContact O-N 3.34Å
790R95.5Very high94Very high85 Ų8530.6 Ų30.632%0.32116%0.164SC..EExtended strand (participates in β ladder)trans-100.2117.7178.8-63.6-171.1-176.883.3-2.6110.4L765 N766 V767 L788 V792 E813L765-R790 PolarHBondContact O-N 3.44Å; N766-R790 PolarHBondContact OD1-NH1 3.02Å; V767-R790 PolarHBondContact N-O 3.25Å; L788-R790 HydrophobicContact CD2-CG 4.03Å; L788-R790 HydrophobicContact CG-CG 3.94Å; R790-V792 HydrophobicContact CB-CG2 4.22Å; R790-E813 HydrophobicContact CG-CB 4.46Å; R790-E813 IonicContact NE-OE2 3.52Å
791L96.5Very high93.8Very high2 Ų238.5 Ų38.51%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-110.7101.3172.9-53.1178.6000107.6L757 V767 V780 T789 V804 V812 E813 L814 R815 N817L757-L791 HydrophobicContact CD2-CD2 4.21Å; V767-L791 HydrophobicContact CB-CD2 3.52Å; V767-L791 HydrophobicContact CG1-CD2 4.01Å; V767-L791 HydrophobicContact CG2-CD2 3.59Å; V780-L791 HydrophobicContact CG1-CD1 3.78Å; T789-L791 HydrophobicContact CG2-CD2 3.99Å; T789-L791 HydrophobicContact CG2-CG 4.27Å; L791-V804 HydrophobicContact CD1-CG1 4.38Å; L791-V812 HydrophobicContact CD1-CG1 4.16Å; L791-V812 HydrophobicContact CG-CG1 4.41Å; L791-E813 PolarHBondContact N-O 3.12Å; L791-L814 HydrophobicContact CB-CD2 3.7Å; L791-L814 HydrophobicContact CD1-CD2 3.45Å; L791-L814 VanDerWaalsContact CD1-CD2 3.45Å; L791-L814 HydrophobicContact CG-CD2 3.99Å; L791-L814 WeakPolarHBondContact O-CA 3.29Å; L791-R815 PolarHBondContact O-N 3.45Å; L791-N817 PolarHBondContact O-ND2 3.38Å; L791-N817 PolarHBondContact O-OD1 3.24Å
792V95.7Very high93.6Very high22 Ų2238.7 Ų38.713%0.13320%0.196CC..EExtended strand (participates in β ladder)trans-124.8131.4-171.3-179.50000111.3V767 F768 A769 R790 N794 R815V767-V792 PolarHBondContact O-N 3.01Å; F768-V792 WeakPolarHBondContact CA-O 3.24Å; F768-V792 HydrophobicContact CD1-CB 3.49Å; F768-V792 VanDerWaalsContact CD1-CB 3.49Å; F768-V792 HydrophobicContact CD1-CG1 3.84Å; F768-V792 HydrophobicContact CD1-CG2 4.24Å; F768-V792 HydrophobicContact CE1-CB 3.4Å; F768-V792 HydrophobicContact CE1-CG1 3.72Å; F768-V792 HydrophobicContact CE1-CG2 3.65Å; F768-V792 HydrophobicContact CZ-CB 4.38Å; F768-V792 HydrophobicContact CZ-CG2 4.24Å; A769-V792 PolarHBondContact N-O 3.07Å; R790-V792 HydrophobicContact CB-CG2 4.22Å; V792-N794 PolarHBondContact N-ND2 2.9Å; V792-N794 PolarHBondContact O-N 3.19Å; V792-N794 VanDerWaalsContact O-N 3.12Å; V792-N794 PolarHBondContact O-ND2 2.85Å; V792-R815 CarbonylContact C-O 3.59Å; V792-R815 WeakPolarHBondContact CA-O 3.28Å; V792-R815 HydrophobicContact CG2-CB 4.26Å
793T95.3Very high93.6Very high45 Ų4538.7 Ų38.728%0.27620%0.196SC..SBendtrans55.927174.856.90000115A769 R815 G816 N817 P936A769-T793 VanDerWaalsContact CA-O 3.31Å; A769-T793 WeakPolarHBondContact CA-O 3.38Å; A769-T793 PolarHBondContact N-OG1 3.04Å; T793-R815 PolarHBondContact N-O 3.23Å; T793-G816 WeakPolarHBondContact CA-O 3.44Å; T793-N817 PolarHBondContact N-OD1 2.96Å; T793-P936 WeakPolarHBondContact O-CB 3.23Å; T793-P936 WeakPolarHBondContact O-CG 3.44Å
794N96.7Very high93.8Very high2 Ų235.9 Ų35.91%0.01118%0.181CC..  trans-81.4155.1175.6-56.4-75.4000111.1V767 A769 N770 V792 I796 N817 G818V767-N794 PolarHBondContact O-ND2 2.88Å; A769-N794 PolarHBondContact N-OD1 2.79Å; N770-N794 WeakPolarHBondContact CB-OD1 3.38Å; N770-N794 PolarHBondContact N-OD1 2.88Å; N770-N794 PolarHBondContact ND2-OD1 2.84Å; N770-N794 VanDerWaalsContact ND2-OD1 3.08Å; N770-N794 CarbonylContact O-C 3.55Å; N770-N794 WeakPolarHBondContact O-CA 3.28Å; N770-N794 WeakPolarHBondContact O-CB 3.39Å; V792-N794 PolarHBondContact N-ND2 2.9Å; V792-N794 PolarHBondContact O-N 3.19Å; V792-N794 VanDerWaalsContact O-N 3.12Å; V792-N794 PolarHBondContact O-ND2 2.85Å; N794-I796 HydrophobicContact CB-CG1 4.48Å; N794-N817 WeakPolarHBondContact CB-OD1 3.36Å; N794-N817 PolarHBondContact N-OD1 3.12Å; N794-N817 PolarHBondContact ND2-OD1 3.08Å; N794-N817 VanDerWaalsContact ND2-OD1 3.1Å; N794-N817 CarbonylContact O-C 3.51Å; N794-N817 VanDerWaalsContact O-CA 3.31Å; N794-N817 WeakPolarHBondContact O-CA 3.24Å; N794-N817 WeakPolarHBondContact O-CB 3.49Å; N794-G818 PolarHBondContact O-N 3.28Å
795C96.1Very high94.2Very high0 Ų033.1 Ų33.10%017%0.17CC..EExtended strand (participates in β ladder)trans-112.5115.5171.2-176.10000109.1H370 L372 N770 L771 M772 G818 P936H370-C795 PolarHBondContact CE1-SG 2.69Å; L372-C795 HydrophobicContact CB-CB 4.22Å; L372-C795 HydrophobicContact CD1-CB 3.8Å; N770-C795 PolarHBondContact O-N 3.46Å; L771-C795 WeakPolarHBondContact CA-O 3.18Å; L771-C795 HydrophobicContact CD1-CB 3.94Å; M772-C795 PolarHBondContact N-O 3.11Å; C795-G818 CarbonylContact C-O 3.57Å; C795-G818 WeakPolarHBondContact CA-O 3.3Å; C795-P936 HydrophobicContact CB-CG 4.19Å
796I96.9Very high94.6Very high3 Ų333.1 Ų33.12%0.01517%0.17CC..EExtended strand (participates in β ladder)trans-120103.1-175.5-57.6169.8000108.2M772 V780 N794 N799 V804 G818 I819 Y820 N822M772-I796 HydrophobicContact CB-CG1 4.41Å; M772-I796 WeakPolarHBondContact O-CA 3.22Å; V780-I796 HydrophobicContact CG2-CD1 3.64Å; V780-I796 HydrophobicContact CG2-CG1 4.4Å; N794-I796 HydrophobicContact CB-CG1 4.48Å; I796-N799 WeakPolarHBondContact CG2-ND2 3.08Å; I796-V804 HydrophobicContact CD1-CG2 3.33Å; I796-G818 PolarHBondContact N-O 2.82Å; I796-I819 HydrophobicContact CB-CG1 4.41Å; I796-I819 HydrophobicContact CD1-CG1 4.43Å; I796-I819 CarbonylContact O-C 3.57Å; I796-I819 VanDerWaalsContact O-CA 3.32Å; I796-I819 WeakPolarHBondContact O-CA 3.27Å; I796-Y820 PolarHBondContact O-N 3.12Å; I796-N822 PolarHBondContact O-ND2 2.86Å
797V95.1Very high95Very high2 Ų232.5 Ų32.51%0.01216%0.161CC..EExtended strand (participates in β ladder)trans-137.1139.1-163.460.50000113.7Y367 L376 L771 M772 N773 R774 N799 Y820Y367-V797 HydrophobicContact CE2-CG2 4.32Å; L376-V797 HydrophobicContact CD1-CG1 4.12Å; L771-V797 HydrophobicContact CD1-CG1 3.98Å; M772-V797 PolarHBondContact O-N 2.95Å; N773-V797 WeakPolarHBondContact CA-O 3.47Å; N773-V797 HydrophobicContact CB-CG1 3.52Å; N773-V797 VanDerWaalsContact CB-O 3.25Å; N773-V797 WeakPolarHBondContact CB-O 3.35Å; R774-V797 PolarHBondContact N-O 3.45Å; V797-N799 VanDerWaalsContact C-N 3.27Å; V797-N799 PolarHBondContact N-ND2 3.33Å; V797-N799 PolarHBondContact O-N 3.09Å; V797-N799 VanDerWaalsContact O-N 3.16Å; V797-N799 PolarHBondContact O-ND2 2.97Å; V797-Y820 CarbonylContact C-O 3.58Å; V797-Y820 WeakPolarHBondContact CA-O 3.34Å
798E94.3Very high95Very high57 Ų5733 Ų3327%0.26616%0.162SC..SBendtrans56.631.7172.1-65.3170.1150.800114.9R774 Y820 E821R774-E798 WeakPolarHBondContact CA-O 3.26Å; R774-E798 HydrophobicContact CG-CB 3.87Å; R774-E798 IonicContact CZ-OE1 2.8Å; R774-E798 IonicContact CZ-OE2 2.89Å; R774-E798 PolarHBondContact N-O 2.84Å; R774-E798 IonicContact NE-OE2 3.21Å; R774-E798 PolarHBondContact NE-OE2 2.89Å; R774-E798 IonicContact NH2-OE1 3.62Å; R774-E798 PolarHBondContact NH2-OE1 2.78Å; R774-E798 IonicContact NH2-OE2 2.65Å; R774-E798 PolarHBondContact NH2-OE2 2.82Å; E798-Y820 PolarHBondContact N-O 2.97Å; E798-E821 WeakPolarHBondContact CA-O 3.38Å; E798-E821 HydrophobicContact CG-CB 4.08Å
799N96.6Very high94.9Very high0 Ų037.4 Ų37.40%019%0.186CC..  trans-81.9149.2175.6-59-81.9000111.2M772 R774 N775 I796 V797 R801 N822 S823M772-N799 PolarHBondContact O-ND2 2.87Å; M772-N799 VanDerWaalsContact O-ND2 3.09Å; R774-N799 PolarHBondContact N-OD1 2.97Å; N775-N799 WeakPolarHBondContact CB-OD1 3.41Å; N775-N799 PolarHBondContact N-OD1 2.91Å; N775-N799 VanDerWaalsContact N-OD1 3.11Å; N775-N799 PolarHBondContact ND2-OD1 3.2Å; I796-N799 WeakPolarHBondContact CG2-ND2 3.08Å; V797-N799 VanDerWaalsContact C-N 3.27Å; V797-N799 PolarHBondContact N-ND2 3.33Å; V797-N799 PolarHBondContact O-N 3.09Å; V797-N799 VanDerWaalsContact O-N 3.16Å; V797-N799 PolarHBondContact O-ND2 2.97Å; N799-R801 PolarHBondContact O-N 3.37Å; N799-R801 VanDerWaalsContact O-N 3.14Å; N799-N822 VanDerWaalsContact CB-OD1 3.29Å; N799-N822 WeakPolarHBondContact CB-OD1 3.35Å; N799-N822 PolarHBondContact N-OD1 3.47Å; N799-N822 PolarHBondContact ND2-OD1 3.35Å; N799-S823 PolarHBondContact O-N 3.34Å; N799-S823 PolarHBondContact O-OG 3.08Å
800G94.2Very high94.8Very high37 Ų3737.4 Ų37.438%0.38119%0.186SC..SBendtrans-68.7-10.7-172.700000115.2N775 G777 S823N775-G800 PolarHBondContact O-N 2.94Å; G777-G800 PolarHBondContact O-N 3.43Å; G800-S823 WeakPolarHBondContact O-CB 3.31Å
801R94.4Very high94.6Very high168 Ų16840.3 Ų40.363%0.63420%0.197SC*.SBendtrans-129.9-140171.4-63.1-175174.2-105.92110.8G777 P778 N799 N822 S823 G824G777-R801 PolarHBondContact O-N 2.73Å; P778-R801 HydrophobicContact CG-CB 4.01Å; N799-R801 PolarHBondContact O-N 3.37Å; N799-R801 VanDerWaalsContact O-N 3.14Å; R801-N822 WeakPolarHBondContact O-CB 3.28Å; R801-S823 PolarHBondContact O-N 2.81Å; R801-G824 PolarHBondContact O-N 3.39Å
802G92.8Very high94.6Very high10 Ų1040.2 Ų40.210%0.10320%0.196CC..  trans-71.3161.1-179.900000113.3P778 G779 H825P778-G802 CarbonylContact C-O 3.56Å; P778-G802 WeakPolarHBondContact CA-O 3.34Å; P778-G802 WeakPolarHBondContact CB-O 3.32Å; G779-G802 PolarHBondContact N-O 3.47Å; G779-G802 VanDerWaalsContact N-O 3.12Å; G802-H825 CarbonylContact C-O 3.58Å; G802-H825 WeakPolarHBondContact CA-O 3.4Å
803G95.7Very high94.6Very high0 Ų040.8 Ų40.80%020%0.198CC..SBendtrans-69.3-67.2173.800000111.2G779 V780 H825 G826G779-G803 CarbonylContact C-O 3.54Å; G779-G803 WeakPolarHBondContact CA-O 3.44Å; G779-G803 PolarHBondContact N-O 2.81Å; V780-G803 PolarHBondContact N-O 3.14Å; G803-H825 PolarHBondContact N-O 2.87Å; G803-G826 CarbonylContact C-O 3.59Å; G803-G826 VanDerWaalsContact CA-O 3.28Å; G803-G826 WeakPolarHBondContact CA-O 3.21Å; G803-G826 PolarHBondContact N-O 2.89Å
804V97.8Very high94.7Very high1 Ų138.7 Ų38.71%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-125128.9178.7-179.10000110.4V780 L791 I796 V806 L814 I819 G826 V827 R828V780-V804 HydrophobicContact CB-CG1 4.41Å; V780-V804 HydrophobicContact CB-CG2 4.28Å; V780-V804 CarbonylContact O-C 3.47Å; V780-V804 WeakPolarHBondContact O-CA 3.44Å; L791-V804 HydrophobicContact CD1-CG1 4.38Å; I796-V804 HydrophobicContact CD1-CG2 3.33Å; V804-V806 HydrophobicContact CG1-CG2 4.07Å; V804-L814 HydrophobicContact CG1-CD1 4.08Å; V804-L814 HydrophobicContact CG1-CD2 4.08Å; V804-I819 HydrophobicContact CG2-CD1 3.78Å; V804-G826 PolarHBondContact N-O 3.07Å; V804-V827 HydrophobicContact CB-CG1 4.48Å; V804-V827 HydrophobicContact CB-CG2 4.42Å; V804-V827 CarbonylContact O-C 3.2Å; V804-V827 WeakPolarHBondContact O-CA 3.46Å; V804-R828 PolarHBondContact O-N 3.1Å
805T96.8Very high94.6Very high19 Ų1944.1 Ų44.112%0.11721%0.205CC..EExtended strand (participates in β ladder)trans-119129.8172.3-57.80000109.9V780 A781 V782 R828V780-T805 PolarHBondContact O-N 3.03Å; A781-T805 CarbonylContact C-O 3.58Å; A781-T805 WeakPolarHBondContact CA-O 3.31Å; V782-T805 PolarHBondContact N-O 3.49Å; T805-R828 CarbonylContact C-O 3.52Å; T805-R828 WeakPolarHBondContact CA-O 3.44Å
806V95.9Very high94.6Very high1 Ų144.7 Ų44.71%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-127.7122.9176.4-178.10000109V782 V804 C810 V812 R828 F829 S830V782-V806 HydrophobicContact CB-CG2 4.39Å; V782-V806 WeakPolarHBondContact O-CA 3.44Å; V804-V806 HydrophobicContact CG1-CG2 4.07Å; V806-C810 HydrophobicContact CG1-CB 3.67Å; V806-V812 HydrophobicContact CG1-CB 4.21Å; V806-V812 HydrophobicContact CG1-CG2 3.62Å; V806-V812 HydrophobicContact CG2-CB 4.23Å; V806-V812 HydrophobicContact CG2-CG1 4.17Å; V806-V812 HydrophobicContact CG2-CG2 4.03Å; V806-R828 PolarHBondContact N-O 3.12Å; V806-F829 HydrophobicContact CB-CD2 3.86Å; V806-F829 HydrophobicContact CB-CE2 4.19Å; V806-F829 HydrophobicContact CB-CG 4.31Å; V806-F829 HydrophobicContact CG1-CD2 4.24Å; V806-F829 HydrophobicContact CG1-CE2 4.11Å; V806-F829 HydrophobicContact CG1-CZ 4.43Å; V806-F829 HydrophobicContact CG2-CD2 3.77Å; V806-F829 HydrophobicContact CG2-CE2 4Å; V806-S830 PolarHBondContact O-N 3Å
807E94.3Very high94.6Very high64 Ų6444.6 Ų44.630%0.29921%0.21SC..  trans-81.1172.7178.8-71.6-61.3156.300113.3V782 L783 C810 S830 G831V782-E807 PolarHBondContact O-N 2.87Å; L783-E807 HydrophobicContact CB-CG 4.27Å; L783-E807 HydrophobicContact CD2-CG 3.46Å; L783-E807 VanDerWaalsContact CD2-CG 3.46Å; L783-E807 HydrophobicContact CG-CG 4.44Å; E807-C810 WeakPolarHBondContact O-CB 3.29Å; E807-S830 CarbonylContact O-C 3.54Å; E807-G831 WeakPolarHBondContact O-CA 3.3Å; E807-G831 PolarHBondContact O-N 2.83Å
808K89.6Confident94.7Very high121 Ų12144.5 Ų44.553%0.52621%0.209SC..THydrogen-bonded Turntrans-56.1153.3173.5-64.5179.6-177.4175.50111.1C810 S830K808-C810 PolarHBondContact O-N 2.92Å; K808-S830 WeakPolarHBondContact CA-O 3.31Å
809D87.4Confident94.8Very high146 Ų14641.8 Ų41.878%0.78120%0.197SC*.THydrogen-bonded Turntrans59.59.8178.2-53-46000116.2
810C92.2Very high94.7Very high0 Ų041.8 Ų41.80%020%0.197CC..  trans-87.8143.7173.8-65.10000111.9V782 Q784 S785 V806 E807 K808 V812 G831 S832V782-C810 HydrophobicContact CG1-CB 4.23Å; Q784-C810 VanDerWaalsContact CA-SG 3.55Å; Q784-C810 PolarHBondContact N-SG 3.36Å; S785-C810 PolarHBondContact N-SG 3.25Å; S785-C810 CarbonylContact O-C 3.6Å; S785-C810 VanDerWaalsContact O-CA 3.31Å; S785-C810 WeakPolarHBondContact O-CA 3.45Å; V806-C810 HydrophobicContact CG1-CB 3.67Å; E807-C810 WeakPolarHBondContact O-CB 3.29Å; K808-C810 PolarHBondContact O-N 2.92Å; C810-V812 HydrophobicContact CB-CG2 4.31Å; C810-G831 CarbonylContact O-C 3.54Å; C810-G831 WeakPolarHBondContact O-CA 3.47Å; C810-S832 PolarHBondContact O-N 2.82Å
811R93.3Very high94.7Very high146 Ų14642.4 Ų42.455%0.55119%0.19SC*.EExtended strand (participates in β ladder)trans-106.5105.8172.7-67-166178.7175-1.1111.2S785 T786 T789 S832S785-R811 PolarHBondContact O-N 2.86Å; T786-R811 WeakPolarHBondContact O-CD 3.37Å; T789-R811 PolarHBondContact N-O 3.31Å; R811-S832 WeakPolarHBondContact CA-O 3.45Å
812V95.2Very high94.7Very high0 Ų034.4 Ų34.40%016%0.159CC..EExtended strand (participates in β ladder)trans-130.9135.6-174-177.30000112.1V782 T789 L791 V806 C810 L814 F829 S832 G833 Q834V782-V812 HydrophobicContact CB-CG2 4.19Å; V782-V812 HydrophobicContact CG1-CG2 3.82Å; V782-V812 HydrophobicContact CG2-CG2 4.27Å; T789-V812 WeakPolarHBondContact O-CA 3.31Å; L791-V812 HydrophobicContact CD1-CG1 4.16Å; L791-V812 HydrophobicContact CG-CG1 4.41Å; V806-V812 HydrophobicContact CG1-CB 4.21Å; V806-V812 HydrophobicContact CG1-CG2 3.62Å; V806-V812 HydrophobicContact CG2-CB 4.23Å; V806-V812 HydrophobicContact CG2-CG1 4.17Å; V806-V812 HydrophobicContact CG2-CG2 4.03Å; C810-V812 HydrophobicContact CB-CG2 4.31Å; V812-L814 HydrophobicContact CG1-CD2 3.77Å; V812-L814 HydrophobicContact CG1-CG 4.23Å; V812-F829 HydrophobicContact CB-CE2 4Å; V812-F829 HydrophobicContact CB-CZ 4.39Å; V812-F829 HydrophobicContact CG1-CE2 4.45Å; V812-S832 PolarHBondContact N-O 2.82Å; V812-S832 VanDerWaalsContact N-O 3.11Å; V812-G833 WeakPolarHBondContact O-CA 3.31Å; V812-Q834 PolarHBondContact O-N 2.84Å; V812-Q834 VanDerWaalsContact O-N 3.15Å
813E96.1Very high94.8Very high35 Ų3537.5 Ų37.516%0.16418%0.179CC..EExtended strand (participates in β ladder)trans-110.6114.4168.7-179-178-179.200109.3L788 T789 R790 L791 R815 Q834L788-E813 HydrophobicContact CD1-CB 4.04Å; T789-E813 PolarHBondContact O-N 3.34Å; R790-E813 HydrophobicContact CG-CB 4.46Å; R790-E813 IonicContact NE-OE2 3.52Å; L791-E813 PolarHBondContact N-O 3.12Å; E813-R815 HydrophobicContact CG-CB 4.45Å; E813-Q834 CarbonylContact C-O 3.56Å; E813-Q834 WeakPolarHBondContact CA-O 3.24Å
814L96.7Very high94.7Very high1 Ų138.4 Ų38.41%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-99.7109.5170-55.7-174.9000108.8L791 V804 V812 V827 Q834 I835 V836 N838L791-L814 HydrophobicContact CB-CD2 3.7Å; L791-L814 HydrophobicContact CD1-CD2 3.45Å; L791-L814 VanDerWaalsContact CD1-CD2 3.45Å; L791-L814 HydrophobicContact CG-CD2 3.99Å; L791-L814 WeakPolarHBondContact O-CA 3.29Å; V804-L814 HydrophobicContact CG1-CD1 4.08Å; V804-L814 HydrophobicContact CG1-CD2 4.08Å; V812-L814 HydrophobicContact CG1-CD2 3.77Å; V812-L814 HydrophobicContact CG1-CG 4.23Å; L814-V827 HydrophobicContact CD1-CG1 3.7Å; L814-V827 HydrophobicContact CD1-CG2 4.21Å; L814-Q834 PolarHBondContact N-O 2.98Å; L814-I835 HydrophobicContact CB-CG2 4.34Å; L814-I835 HydrophobicContact CD1-CG1 4.12Å; L814-I835 HydrophobicContact CD1-CG2 4.35Å; L814-I835 HydrophobicContact CG-CG1 4.48Å; L814-I835 WeakPolarHBondContact O-CA 3.41Å; L814-V836 PolarHBondContact O-N 2.84Å; L814-N838 PolarHBondContact O-ND2 3.2Å
815R96.3Very high94.5Very high116 Ų11640 Ų4044%0.43820%0.196SC..EExtended strand (participates in β ladder)trans-131129.2179.5-169.3175.1177.1-174.8-3.4114.5L791 V792 T793 E813 N817 V836 E837L791-R815 PolarHBondContact O-N 3.45Å; V792-R815 CarbonylContact C-O 3.59Å; V792-R815 WeakPolarHBondContact CA-O 3.28Å; V792-R815 HydrophobicContact CG2-CB 4.26Å; T793-R815 PolarHBondContact N-O 3.23Å; E813-R815 HydrophobicContact CG-CB 4.45Å; R815-N817 PolarHBondContact N-ND2 3.34Å; R815-N817 VanDerWaalsContact N-ND2 3.12Å; R815-N817 PolarHBondContact O-N 3.04Å; R815-N817 PolarHBondContact O-ND2 2.86Å; R815-V836 VanDerWaalsContact CA-O 3.24Å; R815-V836 WeakPolarHBondContact CA-O 3.37Å; R815-V836 HydrophobicContact CG-CB 4.48Å; R815-E837 IonicContact NE-OE2 3.99Å; R815-E837 IonicContact NH2-OE2 3.66Å
816G95Very high94.4Very high11 Ų1139.1 Ų39.111%0.11319%0.191CC..SBendtrans70.413170.300000114.9T793 V836 E837 N838T793-G816 WeakPolarHBondContact CA-O 3.44Å; G816-V836 PolarHBondContact N-O 3Å; G816-E837 WeakPolarHBondContact CA-O 3.39Å; G816-E837 PolarHBondContact N-O 3.36Å; G816-N838 PolarHBondContact N-OD1 3.35Å
817N97.3Very high94.4Very high1 Ų139 Ų391%0.00519%0.19CC..  trans-82.8151.8-175.4-54.1-80.5000111.5L791 T793 N794 R815 I819 N838 D839L791-N817 PolarHBondContact O-ND2 3.38Å; L791-N817 PolarHBondContact O-OD1 3.24Å; T793-N817 PolarHBondContact N-OD1 2.96Å; N794-N817 WeakPolarHBondContact CB-OD1 3.36Å; N794-N817 PolarHBondContact N-OD1 3.12Å; N794-N817 PolarHBondContact ND2-OD1 3.08Å; N794-N817 VanDerWaalsContact ND2-OD1 3.1Å; N794-N817 CarbonylContact O-C 3.51Å; N794-N817 VanDerWaalsContact O-CA 3.31Å; N794-N817 WeakPolarHBondContact O-CA 3.24Å; N794-N817 WeakPolarHBondContact O-CB 3.49Å; R815-N817 PolarHBondContact N-ND2 3.34Å; R815-N817 VanDerWaalsContact N-ND2 3.12Å; R815-N817 PolarHBondContact O-N 3.04Å; R815-N817 PolarHBondContact O-ND2 2.86Å; N817-I819 HydrophobicContact CB-CG1 4.38Å; N817-N838 VanDerWaalsContact CB-OD1 3.29Å; N817-N838 WeakPolarHBondContact CB-OD1 3.44Å; N817-N838 PolarHBondContact N-OD1 3.17Å; N817-N838 PolarHBondContact ND2-OD1 2.89Å; N817-N838 WeakPolarHBondContact O-CA 3.44Å; N817-D839 PolarHBondContact O-N 3.38Å
818G96.5Very high94.5Very high0 Ų040.6 Ų40.60%019%0.194CC..EExtended strand (participates in β ladder)trans-106121.9166.300000110.3N794 C795 I796 R935N794-G818 PolarHBondContact O-N 3.28Å; C795-G818 CarbonylContact C-O 3.57Å; C795-G818 WeakPolarHBondContact CA-O 3.3Å; I796-G818 PolarHBondContact N-O 2.82Å; G818-R935 WeakPolarHBondContact CA-O 3.39Å
819I97Very high94.8Very high0 Ų034.9 Ų34.90%017%0.169CC..EExtended strand (participates in β ladder)trans-125.8104.3-175.1-54.8176000108.7I796 V804 N817 N822 G826 V827 D839 V840 V841 N843I796-I819 HydrophobicContact CB-CG1 4.41Å; I796-I819 HydrophobicContact CD1-CG1 4.43Å; I796-I819 CarbonylContact O-C 3.57Å; I796-I819 VanDerWaalsContact O-CA 3.32Å; I796-I819 WeakPolarHBondContact O-CA 3.27Å; V804-I819 HydrophobicContact CG2-CD1 3.78Å; N817-I819 HydrophobicContact CB-CG1 4.38Å; I819-N822 WeakPolarHBondContact CG2-ND2 3.38Å; I819-G826 WeakPolarHBondContact CG2-O 3Å; I819-V827 HydrophobicContact CD1-CG2 3.43Å; I819-V827 VanDerWaalsContact CD1-CG2 3.43Å; I819-D839 PolarHBondContact N-O 2.91Å; I819-V840 HydrophobicContact CB-CG1 4.43Å; I819-V840 HydrophobicContact CB-CG2 4.37Å; I819-V840 HydrophobicContact CD1-CG2 4.29Å; I819-V840 CarbonylContact O-C 3.48Å; I819-V840 WeakPolarHBondContact O-CA 3.28Å; I819-V841 PolarHBondContact O-N 3.18Å; I819-N843 PolarHBondContact O-ND2 3.23Å
820Y94.4Very high95Very high0 Ų028.5 Ų28.50%014%0.135CC..EExtended strand (participates in β ladder)trans-128.7137.9-161.8-55-58.3000112.9Y367 I796 V797 E798 N822 D839 V841 R935Y367-Y820 AromaticContact CD1-CD1 3.83Å; Y367-Y820 HydrophobicContact CD1-CD1 3.83Å; Y367-Y820 HydrophobicContact CD1-CE1 4.39Å; Y367-Y820 HydrophobicContact CD1-CG 4.03Å; Y367-Y820 HydrophobicContact CD2-CD1 4.19Å; Y367-Y820 AromaticContact CD2-CD2 3.72Å; Y367-Y820 HydrophobicContact CD2-CD2 3.72Å; Y367-Y820 HydrophobicContact CD2-CE2 4.07Å; Y367-Y820 AromaticContact CD2-CG 3.77Å; Y367-Y820 HydrophobicContact CD2-CG 3.77Å; Y367-Y820 HydrophobicContact CE1-CD1 4.31Å; Y367-Y820 HydrophobicContact CE1-CG 4.17Å; Y367-Y820 HydrophobicContact CE2-CD2 4.04Å; Y367-Y820 AromaticContact CE2-CG 3.97Å; Y367-Y820 HydrophobicContact CE2-CG 3.97Å; Y367-Y820 AromaticContact CG-CD1 3.73Å; Y367-Y820 HydrophobicContact CG-CD1 3.73Å; Y367-Y820 HydrophobicContact CG-CD2 4.1Å; Y367-Y820 AromaticContact CG-CE1 3.97Å; Y367-Y820 HydrophobicContact CG-CE1 3.97Å; Y367-Y820 HydrophobicContact CG-CE2 4.3Å; Y367-Y820 AromaticContact CG-CG 3.8Å; Y367-Y820 HydrophobicContact CG-CG 3.8Å; I796-Y820 PolarHBondContact O-N 3.12Å; V797-Y820 CarbonylContact C-O 3.58Å; V797-Y820 WeakPolarHBondContact CA-O 3.34Å; E798-Y820 PolarHBondContact N-O 2.97Å; Y820-N822 PolarHBondContact O-N 2.94Å; Y820-N822 PolarHBondContact O-ND2 3.48Å; Y820-D839 HydrophobicContact CE1-CB 3.98Å; Y820-D839 WeakPolarHBondContact OH-CB 3.42Å; Y820-V841 WeakPolarHBondContact CA-O 3.07Å; Y820-V841 HydrophobicContact CD1-CB 3.8Å; Y820-V841 HydrophobicContact CE1-CB 3.97Å; Y820-V841 HydrophobicContact CE1-CG2 4.29Å; Y820-R935 VanDerWaalsContact CE2-O 3.27Å; Y820-R935 WeakPolarHBondContact CE2-O 3.46Å; Y820-R935 PolarHBondContact OH-N 3.08Å; Y820-R935 PolarHBondContact OH-O 2.86Å
821E93.4Very high94.9Very high50 Ų5028.6 Ų28.623%0.23414%0.137CC..SBendtrans52.730164.6-60.1-167.9-154.600116.2K364 Y367 E798 V841 S842K364-E821 WeakPolarHBondContact CE-OE1 3.09Å; K364-E821 IonicContact NZ-OE1 2.78Å; K364-E821 PolarHBondContact NZ-OE1 2.8Å; K364-E821 IonicContact NZ-OE2 3.59Å; K364-E821 PolarHBondContact NZ-OE2 2.84Å; Y367-E821 HydrophobicContact CE1-CG 3.81Å; Y367-E821 WeakPolarHBondContact CE1-OE1 3.49Å; Y367-E821 VanDerWaalsContact OH-CG 3.3Å; Y367-E821 WeakPolarHBondContact OH-CG 3.43Å; Y367-E821 PolarHBondContact OH-OE1 2.89Å; E798-E821 WeakPolarHBondContact CA-O 3.38Å; E798-E821 HydrophobicContact CG-CB 4.08Å; E821-V841 PolarHBondContact N-O 3.12Å; E821-V841 VanDerWaalsContact N-O 3.14Å; E821-S842 WeakPolarHBondContact CA-O 3.21Å
822N95.3Very high94.9Very high0 Ų023 Ų230%012%0.12CC..  trans-81.3144175.2-56.4-82.9000109.7I796 N799 R801 I819 Y820 G824 N843 C844I796-N822 PolarHBondContact O-ND2 2.86Å; N799-N822 VanDerWaalsContact CB-OD1 3.29Å; N799-N822 WeakPolarHBondContact CB-OD1 3.35Å; N799-N822 PolarHBondContact N-OD1 3.47Å; N799-N822 PolarHBondContact ND2-OD1 3.35Å; R801-N822 WeakPolarHBondContact O-CB 3.28Å; I819-N822 WeakPolarHBondContact CG2-ND2 3.38Å; Y820-N822 PolarHBondContact O-N 2.94Å; Y820-N822 PolarHBondContact O-ND2 3.48Å; N822-G824 PolarHBondContact O-N 2.83Å; N822-G824 VanDerWaalsContact O-N 3.1Å; N822-N843 VanDerWaalsContact CB-OD1 3.27Å; N822-N843 WeakPolarHBondContact CB-OD1 3.07Å; N822-N843 PolarHBondContact N-OD1 2.88Å; N822-N843 PolarHBondContact ND2-OD1 3.31Å; N822-N843 WeakPolarHBondContact O-CA 3.13Å; N822-C844 PolarHBondContact O-N 3.37Å
823S94.6Very high94.7Very high75 Ų7524 Ų2452%0.52413%0.13SC..SBendtrans-68.1-9.5-175-56.60000114.3N799 G800 R801 C844N799-S823 PolarHBondContact O-N 3.34Å; N799-S823 PolarHBondContact O-OG 3.08Å; G800-S823 WeakPolarHBondContact O-CB 3.31Å; R801-S823 PolarHBondContact O-N 2.81Å; S823-C844 WeakPolarHBondContact O-CB 3.27Å
824G93.2Very high94.7Very high19 Ų1925.8 Ų25.820%0.19614%0.138CC..SBendtrans-119.4-149.5176.800000113.4R801 N822 C844 G845R801-G824 PolarHBondContact O-N 3.39Å; N822-G824 PolarHBondContact O-N 2.83Å; N822-G824 VanDerWaalsContact O-N 3.1Å; G824-C844 PolarHBondContact O-N 2.85Å; G824-G845 PolarHBondContact O-N 3.36Å
825H93.6Very high94.7Very high35 Ų3525.8 Ų25.816%0.16214%0.138CC..  trans-63.8145.6173-53.1-61.9000111.2G802 G803 R828 Y846G802-H825 CarbonylContact C-O 3.58Å; G802-H825 WeakPolarHBondContact CA-O 3.4Å; G803-H825 PolarHBondContact N-O 2.87Å; H825-R828 PolarHBondContact CD2-NH2 2.89Å; H825-R828 PolarHBondContact NE2-NH2 2.76Å; H825-Y846 CarbonylContact C-O 3.52Å; H825-Y846 WeakPolarHBondContact CA-O 3.4Å; H825-Y846 WeakPolarHBondContact CB-O 3.3Å; H825-Y846 AromaticContact CE1-CD2 3.2Å; H825-Y846 WeakPolarHBondContact CE1-CD2 3.37Å; H825-Y846 AromaticContact CE1-CE2 3.8Å; H825-Y846 AromaticContact CE1-CG 3.91Å; H825-Y846 WeakPolarHBondContact ND1-CB 3.43Å; H825-Y846 AromaticContact ND1-CD2 3.37Å; H825-Y846 WeakPolarHBondContact ND1-CD2 3.47Å; H825-Y846 AromaticContact ND1-CG 3.66Å; H825-Y846 PolarHBondContact ND1-N 3.1Å
826G94.6Very high94.7Very high0 Ų020.9 Ų20.90%012%0.121CC..SBendtrans-63.4-57171.300000110.7G803 V804 I819 Y846 G847G803-G826 CarbonylContact C-O 3.59Å; G803-G826 VanDerWaalsContact CA-O 3.28Å; G803-G826 WeakPolarHBondContact CA-O 3.21Å; G803-G826 PolarHBondContact N-O 2.89Å; V804-G826 PolarHBondContact N-O 3.07Å; I819-G826 WeakPolarHBondContact CG2-O 3Å; G826-Y846 PolarHBondContact N-O 2.88Å; G826-G847 CarbonylContact C-O 3.53Å; G826-G847 VanDerWaalsContact CA-O 3.31Å; G826-G847 WeakPolarHBondContact CA-O 3.46Å; G826-G847 PolarHBondContact N-O 2.91Å
827V97Very high94.7Very high0 Ų022.9 Ų22.90%013%0.128CC..EExtended strand (participates in β ladder)trans-131.5126.2175.1-176.80000109.9V804 L814 I819 F829 I835 V840 G847 I848 Q849V804-V827 HydrophobicContact CB-CG1 4.48Å; V804-V827 HydrophobicContact CB-CG2 4.42Å; V804-V827 CarbonylContact O-C 3.2Å; V804-V827 WeakPolarHBondContact O-CA 3.46Å; L814-V827 HydrophobicContact CD1-CG1 3.7Å; L814-V827 HydrophobicContact CD1-CG2 4.21Å; I819-V827 HydrophobicContact CD1-CG2 3.43Å; I819-V827 VanDerWaalsContact CD1-CG2 3.43Å; V827-F829 HydrophobicContact CG1-CB 4.27Å; V827-I835 HydrophobicContact CG1-CD1 4.08Å; V827-V840 HydrophobicContact CG2-CG2 4.23Å; V827-G847 PolarHBondContact N-O 3.21Å; V827-I848 HydrophobicContact CB-CG1 4.35Å; V827-I848 HydrophobicContact CB-CG2 4.32Å; V827-I848 CarbonylContact O-C 3.41Å; V827-I848 WeakPolarHBondContact O-CA 3.12Å; V827-Q849 PolarHBondContact O-N 2.78Å
828R95.8Very high94.6Very high97 Ų9722.8 Ų22.837%0.36613%0.127SC..EExtended strand (participates in β ladder)trans-111.6120165.2177.2-177.9-70.7166.6-4.2108.5V804 T805 V806 H825 Q849V804-R828 PolarHBondContact O-N 3.1Å; T805-R828 CarbonylContact C-O 3.52Å; T805-R828 WeakPolarHBondContact CA-O 3.44Å; V806-R828 PolarHBondContact N-O 3.12Å; H825-R828 PolarHBondContact CD2-NH2 2.89Å; H825-R828 PolarHBondContact NE2-NH2 2.76Å; R828-Q849 CarbonylContact C-O 3.46Å; R828-Q849 WeakPolarHBondContact CA-O 3.29Å
829F95.6Very high94.6Very high0 Ų022.8 Ų22.80%013%0.127CC..EExtended strand (participates in β ladder)trans-131.4114.4-170.7-162.8-80.5000112.3V806 V812 V827 G831 I835 Q849 V850 S851 I856V806-F829 HydrophobicContact CB-CD2 3.86Å; V806-F829 HydrophobicContact CB-CE2 4.19Å; V806-F829 HydrophobicContact CB-CG 4.31Å; V806-F829 HydrophobicContact CG1-CD2 4.24Å; V806-F829 HydrophobicContact CG1-CE2 4.11Å; V806-F829 HydrophobicContact CG1-CZ 4.43Å; V806-F829 HydrophobicContact CG2-CD2 3.77Å; V806-F829 HydrophobicContact CG2-CE2 4Å; V812-F829 HydrophobicContact CB-CE2 4Å; V812-F829 HydrophobicContact CB-CZ 4.39Å; V812-F829 HydrophobicContact CG1-CE2 4.45Å; V827-F829 HydrophobicContact CG1-CB 4.27Å; F829-G831 VanDerWaalsContact CE1-C 3.42Å; F829-G831 WeakPolarHBondContact CE1-O 3.36Å; F829-I835 HydrophobicContact CB-CD1 4.02Å; F829-I835 HydrophobicContact CD2-CD1 3.86Å; F829-I835 HydrophobicContact CD2-CG1 4.13Å; F829-I835 HydrophobicContact CE2-CD1 4.5Å; F829-I835 HydrophobicContact CE2-CG1 4.31Å; F829-I835 HydrophobicContact CG-CD1 3.94Å; F829-Q849 PolarHBondContact N-O 3.39Å; F829-V850 VanDerWaalsContact O-CA 3.3Å; F829-V850 WeakPolarHBondContact O-CA 3.17Å; F829-S851 PolarHBondContact O-N 2.86Å; F829-I856 HydrophobicContact CD1-CD1 3.79Å; F829-I856 HydrophobicContact CD1-CG1 4.16Å; F829-I856 HydrophobicContact CE1-CD1 3.31Å; F829-I856 HydrophobicContact CE1-CG1 4.05Å; F829-I856 HydrophobicContact CE2-CD1 4.36Å; F829-I856 HydrophobicContact CG-CD1 4.48Å; F829-I856 HydrophobicContact CZ-CD1 3.66Å
830S92.8Very high94.5Very high12 Ų1222.8 Ų22.88%0.08413%0.127CC..  trans-117.30.1177.4-56.30000114.6V806 E807 K808 S851V806-S830 PolarHBondContact O-N 3Å; E807-S830 CarbonylContact O-C 3.54Å; K808-S830 WeakPolarHBondContact CA-O 3.31Å; S830-S851 WeakPolarHBondContact CA-O 3.37Å; S830-S851 WeakPolarHBondContact CB-O 3.41Å; S830-S851 PolarHBondContact OG-OG 3.48Å
831G89.9Confident94.5Very high3 Ų322.8 Ų22.83%0.03113%0.127CC..SBendtrans-90.3-153.9-178.200000114.1E807 C810 F829 S853E807-G831 WeakPolarHBondContact O-CA 3.3Å; E807-G831 PolarHBondContact O-N 2.83Å; C810-G831 CarbonylContact O-C 3.54Å; C810-G831 WeakPolarHBondContact O-CA 3.47Å; F829-G831 VanDerWaalsContact CE1-C 3.42Å; F829-G831 WeakPolarHBondContact CE1-O 3.36Å; G831-S853 VanDerWaalsContact O-CB 3.31Å; G831-S853 WeakPolarHBondContact O-CB 3.5Å; G831-S853 PolarHBondContact O-OG 2.88Å
832S91.9Very high94.3Very high28 Ų2821.1 Ų21.120%0.19612%0.121CC..EExtended strand (participates in β ladder)trans-119.2151.2171.660.10000110.3C810 R811 V812 T854C810-S832 PolarHBondContact O-N 2.82Å; R811-S832 WeakPolarHBondContact CA-O 3.45Å; V812-S832 PolarHBondContact N-O 2.82Å; V812-S832 VanDerWaalsContact N-O 3.11Å; S832-T854 WeakPolarHBondContact CB-O 3.5Å
833G92.3Very high94.1Very high20 Ų2021.1 Ų21.121%0.20612%0.121CC..EExtended strand (participates in β ladder)trans138.5-142.3179.100000114.2V812 D855 I856 K857V812-G833 WeakPolarHBondContact O-CA 3.31Å; G833-D855 PolarHBondContact N-O 3.42Å; G833-I856 WeakPolarHBondContact O-CA 3.26Å; G833-I856 VanDerWaalsContact O-CD1 3.27Å; G833-I856 WeakPolarHBondContact O-CD1 3.39Å; G833-K857 PolarHBondContact O-N 3.12Å
834Q95Very high93.8Very high74 Ų7420.4 Ų20.435%0.34612%0.115SC..EExtended strand (participates in β ladder)trans-141.1138.1-170.3-46.5-174.15.500112.2V812 E813 L814 V836 K857V812-Q834 PolarHBondContact O-N 2.84Å; V812-Q834 VanDerWaalsContact O-N 3.15Å; E813-Q834 CarbonylContact C-O 3.56Å; E813-Q834 WeakPolarHBondContact CA-O 3.24Å; L814-Q834 PolarHBondContact N-O 2.98Å; Q834-V836 HydrophobicContact CB-CG2 3.71Å; Q834-K857 CarbonylContact C-O 3.51Å; Q834-K857 WeakPolarHBondContact CA-O 3.32Å; Q834-K857 HydrophobicContact CB-CB 4.32Å; Q834-K857 HydrophobicContact CG-CB 4.15Å; Q834-K857 HydrophobicContact CG-CD 4.3Å
835I96.6Very high93.5Very high0 Ų020.2 Ų20.20%011%0.113CC..EExtended strand (participates in β ladder)trans-118.794.5170.9-52.2175.6000106.2L814 V827 F829 N838 I848 I856 K857 V858 V859 N861L814-I835 HydrophobicContact CB-CG2 4.34Å; L814-I835 HydrophobicContact CD1-CG1 4.12Å; L814-I835 HydrophobicContact CD1-CG2 4.35Å; L814-I835 HydrophobicContact CG-CG1 4.48Å; L814-I835 WeakPolarHBondContact O-CA 3.41Å; V827-I835 HydrophobicContact CG1-CD1 4.08Å; F829-I835 HydrophobicContact CB-CD1 4.02Å; F829-I835 HydrophobicContact CD2-CD1 3.86Å; F829-I835 HydrophobicContact CD2-CG1 4.13Å; F829-I835 HydrophobicContact CE2-CD1 4.5Å; F829-I835 HydrophobicContact CE2-CG1 4.31Å; F829-I835 HydrophobicContact CG-CD1 3.94Å; I835-N838 WeakPolarHBondContact CG2-ND2 3.32Å; I835-I848 HydrophobicContact CD1-CG2 3.99Å; I835-I848 HydrophobicContact CG2-CD1 4.25Å; I835-I856 HydrophobicContact CD1-CD1 4.38Å; I835-I856 HydrophobicContact CG1-CD1 4.11Å; I835-K857 PolarHBondContact N-O 3.09Å; I835-V858 HydrophobicContact CB-CG2 4.48Å; I835-V858 HydrophobicContact CD1-CG2 4.29Å; I835-V858 CarbonylContact O-C 3.58Å; I835-V858 WeakPolarHBondContact O-CA 3.29Å; I835-V859 PolarHBondContact O-N 3.36Å; I835-N861 PolarHBondContact O-ND2 2.82Å
836V95.9Very high93.4Very high14 Ų1420.8 Ų20.89%0.08511%0.114CC..EExtended strand (participates in β ladder)trans-122.2130.6-168.5-175.80000110.2L814 R815 G816 Q834 N838 V859L814-V836 PolarHBondContact O-N 2.84Å; R815-V836 VanDerWaalsContact CA-O 3.24Å; R815-V836 WeakPolarHBondContact CA-O 3.37Å; R815-V836 HydrophobicContact CG-CB 4.48Å; G816-V836 PolarHBondContact N-O 3Å; Q834-V836 HydrophobicContact CB-CG2 3.71Å; V836-N838 VanDerWaalsContact C-N 3.33Å; V836-N838 PolarHBondContact N-ND2 2.78Å; V836-N838 PolarHBondContact O-N 2.85Å; V836-N838 PolarHBondContact O-ND2 3Å; V836-N838 VanDerWaalsContact O-ND2 3.08Å; V836-V859 CarbonylContact C-O 3.47Å; V836-V859 VanDerWaalsContact CA-O 3.28Å; V836-V859 WeakPolarHBondContact CA-O 3.35Å; V836-V859 HydrophobicContact CG1-CB 4.39Å; V836-V859 HydrophobicContact CG2-CB 4.28Å
837E95Very high93.2Very high52 Ų5220.8 Ų20.824%0.24311%0.114CC..SBendtrans56.144.8170.3-67.7165.9179.600112.8R815 G816 V859 R860 R935R815-E837 IonicContact NE-OE2 3.99Å; R815-E837 IonicContact NH2-OE2 3.66Å; G816-E837 WeakPolarHBondContact CA-O 3.39Å; G816-E837 PolarHBondContact N-O 3.36Å; E837-V859 PolarHBondContact N-O 2.86Å; E837-R860 WeakPolarHBondContact CA-O 3.38Å; E837-R860 HydrophobicContact CG-CB 4.03Å; E837-R860 IonicContact OE1-NH1 3.39Å; E837-R935 VanDerWaalsContact CA-CZ 3.49Å; E837-R935 VanDerWaalsContact CA-NH2 3.34Å; E837-R935 VanDerWaalsContact CB-NH2 3.29Å; E837-R935 WeakPolarHBondContact O-CD 3.4Å; E837-R935 PolarHBondContact O-NE 2.88Å; E837-R935 PolarHBondContact O-NH1 2.9Å; E837-R935 VanDerWaalsContact O-NH1 3.13Å
838N96.6Very high93.2Very high0 Ų020.8 Ų20.80%011%0.114CC..  trans-104.9151.8173.4-54.7-82.6000111.6L814 G816 N817 I835 V836 V840 N861 R862 R935L814-N838 PolarHBondContact O-ND2 3.2Å; G816-N838 PolarHBondContact N-OD1 3.35Å; N817-N838 VanDerWaalsContact CB-OD1 3.29Å; N817-N838 WeakPolarHBondContact CB-OD1 3.44Å; N817-N838 PolarHBondContact N-OD1 3.17Å; N817-N838 PolarHBondContact ND2-OD1 2.89Å; N817-N838 WeakPolarHBondContact O-CA 3.44Å; I835-N838 WeakPolarHBondContact CG2-ND2 3.32Å; V836-N838 VanDerWaalsContact C-N 3.33Å; V836-N838 PolarHBondContact N-ND2 2.78Å; V836-N838 PolarHBondContact O-N 2.85Å; V836-N838 PolarHBondContact O-ND2 3Å; V836-N838 VanDerWaalsContact O-ND2 3.08Å; N838-V840 HydrophobicContact CB-CG2 4.32Å; N838-N861 WeakPolarHBondContact CB-OD1 3.31Å; N838-N861 PolarHBondContact N-OD1 3.15Å; N838-N861 PolarHBondContact ND2-OD1 2.99Å; N838-N861 CarbonylContact O-C 3.59Å; N838-N861 VanDerWaalsContact O-CA 3.28Å; N838-N861 WeakPolarHBondContact O-CA 3.42Å; N838-R862 PolarHBondContact O-N 3.11Å; N838-R935 PolarHBondContact O-NH1 3.22Å; N838-R935 VanDerWaalsContact O-NH1 3.12Å
839D95.9Very high93.1Very high0 Ų017.2 Ų17.20%010%0.102CC..EExtended strand (participates in β ladder)trans-104121.3168.7-66.1-8.8000108.3N817 I819 Y820 R862 R935N817-D839 PolarHBondContact O-N 3.38Å; I819-D839 PolarHBondContact N-O 2.91Å; Y820-D839 HydrophobicContact CE1-CB 3.98Å; Y820-D839 WeakPolarHBondContact OH-CB 3.42Å; D839-R862 WeakPolarHBondContact CA-O 3.27Å; D839-R862 VanDerWaalsContact CG-NH2 3.28Å; D839-R862 IonicContact OD1-CZ 3.52Å; D839-R862 IonicContact OD1-NE 3.55Å; D839-R862 PolarHBondContact OD1-NE 2.94Å; D839-R862 IonicContact OD1-NH2 3.81Å; D839-R862 PolarHBondContact OD1-NH2 3.3Å; D839-R862 VanDerWaalsContact OD1-NH2 3.1Å; D839-R862 IonicContact OD2-CZ 2.79Å; D839-R862 IonicContact OD2-NE 3.5Å; D839-R862 IonicContact OD2-NH2 3.78Å; D839-R862 PolarHBondContact OD2-NH2 2.91Å; D839-R935 HydrophobicContact CB-CB 4.18Å; D839-R935 WeakPolarHBondContact OD1-CD 3.27Å; D839-R935 IonicContact OD1-CZ 3.78Å; D839-R935 IonicContact OD1-NE 2.82Å; D839-R935 IonicContact OD1-NH1 2.91Å; D839-R935 PolarHBondContact OD1-NH1 3.39Å; D839-R935 VanDerWaalsContact OD2-CB 3.32Å; D839-R935 WeakPolarHBondContact OD2-CB 3.42Å; D839-R935 VanDerWaalsContact OD2-CG 3.32Å; D839-R935 WeakPolarHBondContact OD2-CG 3.45Å; D839-R935 PolarHBondContact OD2-N 2.88Å
840V95.6Very high93Very high0 Ų017.2 Ų17.20%010%0.102CC..EExtended strand (participates in β ladder)trans-127.892.6-176.3-172.70000108.5I819 V827 N838 N843 G847 I848 R862 V863 Q864I819-V840 HydrophobicContact CB-CG1 4.43Å; I819-V840 HydrophobicContact CB-CG2 4.37Å; I819-V840 HydrophobicContact CD1-CG2 4.29Å; I819-V840 CarbonylContact O-C 3.48Å; I819-V840 WeakPolarHBondContact O-CA 3.28Å; V827-V840 HydrophobicContact CG2-CG2 4.23Å; N838-V840 HydrophobicContact CB-CG2 4.32Å; V840-N843 WeakPolarHBondContact CG1-ND2 3.31Å; V840-G847 VanDerWaalsContact CG1-O 3.3Å; V840-G847 WeakPolarHBondContact CG1-O 3.1Å; V840-I848 HydrophobicContact CG2-CD1 4.37Å; V840-I848 HydrophobicContact CG2-CG1 4.24Å; V840-R862 PolarHBondContact N-O 2.87Å; V840-V863 HydrophobicContact CB-CG1 4.24Å; V840-V863 HydrophobicContact CB-CG2 4.36Å; V840-V863 CarbonylContact O-C 3.45Å; V840-V863 VanDerWaalsContact O-CA 3.31Å; V840-V863 WeakPolarHBondContact O-CA 3.37Å; V840-Q864 PolarHBondContact O-N 2.88Å
841V93.1Very high92.9Very high0 Ų018 Ų180%011%0.107CC..EExtended strand (participates in β ladder)trans-127.8137.1-162.9169.60000111.5I365 I819 Y820 E821 N843 Q864I365-V841 HydrophobicContact CB-CG1 3.8Å; I365-V841 HydrophobicContact CG2-CG1 4.3Å; I819-V841 PolarHBondContact O-N 3.18Å; Y820-V841 WeakPolarHBondContact CA-O 3.07Å; Y820-V841 HydrophobicContact CD1-CB 3.8Å; Y820-V841 HydrophobicContact CE1-CB 3.97Å; Y820-V841 HydrophobicContact CE1-CG2 4.29Å; E821-V841 PolarHBondContact N-O 3.12Å; E821-V841 VanDerWaalsContact N-O 3.14Å; V841-N843 VanDerWaalsContact C-N 3.25Å; V841-N843 PolarHBondContact N-ND2 2.9Å; V841-N843 PolarHBondContact O-N 2.91Å; V841-N843 VanDerWaalsContact O-N 3.16Å; V841-N843 PolarHBondContact O-ND2 3.12Å; V841-Q864 CarbonylContact C-O 3.59Å; V841-Q864 WeakPolarHBondContact CA-O 3.33Å; V841-Q864 HydrophobicContact CB-CB 4.44Å; V841-Q864 HydrophobicContact CG1-CB 4.31Å; V841-Q864 HydrophobicContact CG2-CB 4.18Å
842S89.6Confident92.3Very high14 Ų1419.8 Ų19.810%0.09812%0.122CC..EExtended strand (participates in β ladder)trans58.426.4172.6-54.90000115.9K364 E821 Q864K364-S842 WeakPolarHBondContact CG-OG 3.36Å; E821-S842 WeakPolarHBondContact CA-O 3.21Å; S842-Q864 PolarHBondContact N-O 3.48Å
843N90.6Very high91.5Very high0 Ų018.5 Ų18.50%011%0.113CC..EExtended strand (participates in β ladder)trans-78.3142.4171.9-58.5-83000110.1I819 N822 V840 V841 G845 A866I819-N843 PolarHBondContact O-ND2 3.23Å; N822-N843 VanDerWaalsContact CB-OD1 3.27Å; N822-N843 WeakPolarHBondContact CB-OD1 3.07Å; N822-N843 PolarHBondContact N-OD1 2.88Å; N822-N843 PolarHBondContact ND2-OD1 3.31Å; N822-N843 WeakPolarHBondContact O-CA 3.13Å; V840-N843 WeakPolarHBondContact CG1-ND2 3.31Å; V841-N843 VanDerWaalsContact C-N 3.25Å; V841-N843 PolarHBondContact N-ND2 2.9Å; V841-N843 PolarHBondContact O-N 2.91Å; V841-N843 VanDerWaalsContact O-N 3.16Å; V841-N843 PolarHBondContact O-ND2 3.12Å; N843-G845 VanDerWaalsContact C-N 3.31Å; N843-G845 PolarHBondContact O-N 2.98Å; N843-A866 VanDerWaalsContact O-CB 3.27Å; N843-A866 WeakPolarHBondContact O-CB 3.36Å; N843-A866 PolarHBondContact O-N 3.24Å
844C88.9Confident90.3Very high61 Ų6122.4 Ų22.441%0.41213%0.132SC..SBendtrans-74.1-16-172-61.80000114.4N822 S823 G824 Q867N822-C844 PolarHBondContact O-N 3.37Å; S823-C844 WeakPolarHBondContact O-CB 3.27Å; G824-C844 PolarHBondContact O-N 2.85Å; C844-Q867 WeakPolarHBondContact O-CB 3.38Å
845G88.1Confident89.7Confident14 Ų1424 Ų2414%0.14414%0.143CC..SBendtrans-105.3-162.7171.200000112.9G824 N843 G847 Q867G824-G845 PolarHBondContact O-N 3.36Å; N843-G845 VanDerWaalsContact C-N 3.31Å; N843-G845 PolarHBondContact O-N 2.98Å; G845-G847 PolarHBondContact O-N 2.93Å; G845-Q867 CarbonylContact C-O 3.56Å
846Y91.1Very high89.5Confident48 Ų4824 Ų2419%0.18814%0.143CC..  trans-46.8137.6169-56.9-51.6000112.4H825 G826 Q849 C869 A872 K895H825-Y846 CarbonylContact C-O 3.52Å; H825-Y846 WeakPolarHBondContact CA-O 3.4Å; H825-Y846 WeakPolarHBondContact CB-O 3.3Å; H825-Y846 AromaticContact CE1-CD2 3.2Å; H825-Y846 WeakPolarHBondContact CE1-CD2 3.37Å; H825-Y846 AromaticContact CE1-CE2 3.8Å; H825-Y846 AromaticContact CE1-CG 3.91Å; H825-Y846 WeakPolarHBondContact ND1-CB 3.43Å; H825-Y846 AromaticContact ND1-CD2 3.37Å; H825-Y846 WeakPolarHBondContact ND1-CD2 3.47Å; H825-Y846 AromaticContact ND1-CG 3.66Å; H825-Y846 PolarHBondContact ND1-N 3.1Å; G826-Y846 PolarHBondContact N-O 2.88Å; Y846-Q849 HydrophobicContact CD2-CB 4.13Å; Y846-Q849 HydrophobicContact CD2-CG 4.2Å; Y846-C869 VanDerWaalsContact CA-O 3.28Å; Y846-C869 WeakPolarHBondContact CA-O 3.48Å; Y846-C869 HydrophobicContact CD1-CB 3.58Å; Y846-C869 HydrophobicContact CE1-CB 3.81Å; Y846-A872 HydrophobicContact CD1-CB 4.38Å; Y846-A872 HydrophobicContact CG-CB 4.43Å; Y846-K895 HydrophobicContact CE1-CD 4.33Å; Y846-K895 PolarHBondContact OH-NZ 3.02Å
847G91.1Very high89.3Confident0 Ų027.5 Ų27.50%016%0.158CC..SBendtrans-60.4-64173.400000110.2G826 V827 V840 G845 C869 G870G826-G847 CarbonylContact C-O 3.53Å; G826-G847 VanDerWaalsContact CA-O 3.31Å; G826-G847 WeakPolarHBondContact CA-O 3.46Å; G826-G847 PolarHBondContact N-O 2.91Å; V827-G847 PolarHBondContact N-O 3.21Å; V840-G847 VanDerWaalsContact CG1-O 3.3Å; V840-G847 WeakPolarHBondContact CG1-O 3.1Å; G845-G847 PolarHBondContact O-N 2.93Å; G847-C869 PolarHBondContact N-O 2.65Å; G847-G870 CarbonylContact C-O 3.38Å; G847-G870 VanDerWaalsContact CA-O 3.26Å; G847-G870 WeakPolarHBondContact CA-O 3.16Å; G847-G870 PolarHBondContact N-O 2.74Å
848I95.3Very high89.3Confident0 Ų025 Ų250%015%0.146CC..EExtended strand (participates in β ladder)trans-127.2118.2173.3-54.2176.1000108.9V827 I835 V840 V850 V858 N861 V863 G870 I871 A872V827-I848 HydrophobicContact CB-CG1 4.35Å; V827-I848 HydrophobicContact CB-CG2 4.32Å; V827-I848 CarbonylContact O-C 3.41Å; V827-I848 WeakPolarHBondContact O-CA 3.12Å; I835-I848 HydrophobicContact CD1-CG2 3.99Å; I835-I848 HydrophobicContact CG2-CD1 4.25Å; V840-I848 HydrophobicContact CG2-CD1 4.37Å; V840-I848 HydrophobicContact CG2-CG1 4.24Å; I848-V850 HydrophobicContact CG2-CG2 3.99Å; I848-V858 HydrophobicContact CD1-CG1 4.17Å; I848-N861 HydrophobicContact CD1-CB 4.05Å; I848-V863 HydrophobicContact CD1-CG2 3.65Å; I848-V863 HydrophobicContact CG1-CG2 4.07Å; I848-G870 PolarHBondContact N-O 2.84Å; I848-I871 HydrophobicContact CB-CG1 4.23Å; I848-I871 HydrophobicContact CD1-CG1 4.45Å; I848-I871 CarbonylContact O-C 3.59Å; I848-I871 VanDerWaalsContact O-CA 3.28Å; I848-I871 WeakPolarHBondContact O-CA 3.28Å; I848-A872 PolarHBondContact O-N 3.25Å
849Q94.2Very high89.2Confident22 Ų2225.5 Ų25.510%0.10315%0.149CC..EExtended strand (participates in β ladder)trans-105.9123.6171.4-179.5-177.438.200108.6V827 R828 F829 Y846 L874V827-Q849 PolarHBondContact O-N 2.78Å; R828-Q849 CarbonylContact C-O 3.46Å; R828-Q849 WeakPolarHBondContact CA-O 3.29Å; F829-Q849 PolarHBondContact N-O 3.39Å; Y846-Q849 HydrophobicContact CD2-CB 4.13Å; Y846-Q849 HydrophobicContact CD2-CG 4.2Å; Q849-L874 HydrophobicContact CG-CD1 3.97Å
850V92.8Very high89.2Confident0 Ų031.3 Ų31.30%017%0.171CC..EExtended strand (participates in β ladder)trans-117.3127.3174-175.80000108.7F829 I848 I856 V858 A872 L873 L874 V877F829-V850 VanDerWaalsContact O-CA 3.3Å; F829-V850 WeakPolarHBondContact O-CA 3.17Å; I848-V850 HydrophobicContact CG2-CG2 3.99Å; V850-I856 HydrophobicContact CG1-CG1 4.42Å; V850-I856 HydrophobicContact CG1-CG2 3.98Å; V850-V858 HydrophobicContact CG2-CG2 4.21Å; V850-A872 PolarHBondContact N-O 2.88Å; V850-L873 HydrophobicContact CB-CD2 3.79Å; V850-L873 HydrophobicContact CG1-CD2 4.5Å; V850-L873 HydrophobicContact CG2-CD2 4.06Å; V850-L874 PolarHBondContact O-N 2.78Å; V850-V877 HydrophobicContact CG1-CG1 3.85Å; V850-V877 HydrophobicContact CG1-CG2 4.1Å
851S90.7Very high89.1Confident27 Ų2731.3 Ų31.319%0.18917%0.171CC..EExtended strand (participates in β ladder)trans-138.2138.7-178.1480000113.6F829 S830 S853 L874F829-S851 PolarHBondContact O-N 2.86Å; S830-S851 WeakPolarHBondContact CA-O 3.37Å; S830-S851 WeakPolarHBondContact CB-O 3.41Å; S830-S851 PolarHBondContact OG-OG 3.48Å; S851-S853 PolarHBondContact O-N 3.35Å; S851-S853 VanDerWaalsContact O-N 3.12Å; S851-L874 VanDerWaalsContact CA-O 3.23Å; S851-L874 WeakPolarHBondContact CA-O 3.43Å
852A78.8Confident89.2Confident42 Ų4232 Ų3235%0.34717%0.173SC..SBendtrans47.942.5173.400000114.4L874 P876A852-L874 PolarHBondContact N-O 2.87Å; A852-P876 WeakPolarHBondContact CA-O 3.47Å
853S73.8Confident89.3Confident1 Ų131.3 Ų31.31%0.00717%0.168CC..  trans-107.7136-170.7174.50000112G831 S851 I856 P876 V877 K878G831-S853 VanDerWaalsContact O-CB 3.31Å; G831-S853 WeakPolarHBondContact O-CB 3.5Å; G831-S853 PolarHBondContact O-OG 2.88Å; S851-S853 PolarHBondContact O-N 3.35Å; S851-S853 VanDerWaalsContact O-N 3.12Å; S853-I856 WeakPolarHBondContact OG-CB 3.47Å; S853-P876 PolarHBondContact N-O 3.23Å; S853-V877 WeakPolarHBondContact O-CA 3.35Å; S853-K878 PolarHBondContact O-N 3.3Å
854T67.7Low89.4Confident101 Ų10131.4 Ų31.462%0.6217%0.169SC*.EExtended strand (participates in β ladder)trans-109.9115.3176.160.40000109.7S832S832-T854 WeakPolarHBondContact CB-O 3.5Å
855D83.5Confident89.1Confident107 Ų10728.5 Ų28.557%0.57215%0.149SC*.EExtended strand (participates in β ladder)trans66.667.8-179.1-16224.6000115.3G833 K878G833-D855 PolarHBondContact N-O 3.42Å; D855-K878 WeakPolarHBondContact CA-O 3.38Å; D855-K878 PolarHBondContact N-O 2.78Å
856I90.9Very high88.9Confident1 Ų129.1 Ų29.11%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-109.2137.4174.3-17556.2000112.2F829 G833 I835 V850 S853 V858 V877 K878 G879 V880F829-I856 HydrophobicContact CD1-CD1 3.79Å; F829-I856 HydrophobicContact CD1-CG1 4.16Å; F829-I856 HydrophobicContact CE1-CD1 3.31Å; F829-I856 HydrophobicContact CE1-CG1 4.05Å; F829-I856 HydrophobicContact CE2-CD1 4.36Å; F829-I856 HydrophobicContact CG-CD1 4.48Å; F829-I856 HydrophobicContact CZ-CD1 3.66Å; G833-I856 WeakPolarHBondContact O-CA 3.26Å; G833-I856 VanDerWaalsContact O-CD1 3.27Å; G833-I856 WeakPolarHBondContact O-CD1 3.39Å; I835-I856 HydrophobicContact CD1-CD1 4.38Å; I835-I856 HydrophobicContact CG1-CD1 4.11Å; V850-I856 HydrophobicContact CG1-CG1 4.42Å; V850-I856 HydrophobicContact CG1-CG2 3.98Å; S853-I856 WeakPolarHBondContact OG-CB 3.47Å; I856-V858 HydrophobicContact CG1-CG2 4Å; I856-V877 HydrophobicContact CG2-CG1 3.65Å; I856-K878 PolarHBondContact N-O 3.07Å; I856-K878 VanDerWaalsContact N-O 3.12Å; I856-G879 CarbonylContact O-C 3.6Å; I856-G879 WeakPolarHBondContact O-CA 3.4Å; I856-V880 PolarHBondContact O-N 2.67Å
857K93.2Very high88.2Confident88 Ų8833 Ų3338%0.38317%0.173SC..EExtended strand (participates in β ladder)trans-113.9114172.7-61.8-178.7-175.5174.20110.3G833 Q834 I835 V859 V880G833-K857 PolarHBondContact O-N 3.12Å; Q834-K857 CarbonylContact C-O 3.51Å; Q834-K857 WeakPolarHBondContact CA-O 3.32Å; Q834-K857 HydrophobicContact CB-CB 4.32Å; Q834-K857 HydrophobicContact CG-CB 4.15Å; Q834-K857 HydrophobicContact CG-CD 4.3Å; I835-K857 PolarHBondContact N-O 3.09Å; K857-V859 HydrophobicContact CB-CG2 3.98Å; K857-V880 WeakPolarHBondContact CA-O 3.42Å
858V94.6Very high87.8Confident0 Ų033.4 Ų33.40%018%0.177CC..EExtended strand (participates in β ladder)trans-108.8101.1175-173.10000108.5I835 I848 V850 I856 N861 I871 V880 V881 H882 N884I835-V858 HydrophobicContact CB-CG2 4.48Å; I835-V858 HydrophobicContact CD1-CG2 4.29Å; I835-V858 CarbonylContact O-C 3.58Å; I835-V858 WeakPolarHBondContact O-CA 3.29Å; I848-V858 HydrophobicContact CD1-CG1 4.17Å; V850-V858 HydrophobicContact CG2-CG2 4.21Å; I856-V858 HydrophobicContact CG1-CG2 4Å; V858-N861 WeakPolarHBondContact CG1-ND2 3.39Å; V858-I871 HydrophobicContact CG1-CD1 4.27Å; V858-V880 PolarHBondContact N-O 3.16Å; V858-V881 HydrophobicContact CB-CB 4.44Å; V858-V881 HydrophobicContact CB-CG1 4.25Å; V858-V881 HydrophobicContact CB-CG2 4.09Å; V858-V881 HydrophobicContact CG1-CG1 4.47Å; V858-V881 HydrophobicContact CG2-CG2 4.26Å; V858-V881 CarbonylContact O-C 3.52Å; V858-V881 WeakPolarHBondContact O-CA 3.08Å; V858-H882 PolarHBondContact O-N 2.97Å; V858-N884 PolarHBondContact O-ND2 3.16Å
859V94.7Very high87.3Confident9 Ų933.6 Ų33.66%0.05518%0.178CC..EExtended strand (participates in β ladder)trans-130.8129.8-163.1-175.40000112.4I835 V836 E837 K857 N861 H882I835-V859 PolarHBondContact O-N 3.36Å; V836-V859 CarbonylContact C-O 3.47Å; V836-V859 VanDerWaalsContact CA-O 3.28Å; V836-V859 WeakPolarHBondContact CA-O 3.35Å; V836-V859 HydrophobicContact CG1-CB 4.39Å; V836-V859 HydrophobicContact CG2-CB 4.28Å; E837-V859 PolarHBondContact N-O 2.86Å; K857-V859 HydrophobicContact CB-CG2 3.98Å; V859-N861 PolarHBondContact N-ND2 2.92Å; V859-N861 VanDerWaalsContact N-ND2 3.18Å; V859-N861 PolarHBondContact O-N 3.18Å; V859-N861 VanDerWaalsContact O-N 3.12Å; V859-N861 PolarHBondContact O-ND2 2.9Å; V859-H882 WeakPolarHBondContact CA-O 3.28Å; V859-H882 WeakPolarHBondContact CG1-CE1 3.44Å; V859-H882 WeakPolarHBondContact CG1-NE2 3.2Å; V859-H882 VanDerWaalsContact CG2-CD2 3.47Å; V859-H882 WeakPolarHBondContact CG2-CD2 3.17Å; V859-H882 WeakPolarHBondContact CG2-NE2 3.41Å
860R94.2Very high87Confident123 Ų12332.5 Ų32.546%0.46417%0.173SC..SBendtrans54.931.6171.5-63.2176.1-162.6125.35.4114.8E837 H882 D883 N884E837-R860 WeakPolarHBondContact CA-O 3.38Å; E837-R860 HydrophobicContact CG-CB 4.03Å; E837-R860 IonicContact OE1-NH1 3.39Å; R860-H882 PolarHBondContact N-O 2.88Å; R860-H882 VanDerWaalsContact N-O 3.17Å; R860-D883 VanDerWaalsContact CA-O 3.29Å; R860-D883 WeakPolarHBondContact CA-O 3.35Å; R860-D883 HydrophobicContact CG-CB 3.89Å; R860-N884 PolarHBondContact N-OD1 2.76Å
861N95.4Very high87Confident0 Ų032.5 Ų32.50%017%0.173CC..  trans-85.1145.6174.3-56.1-76.8000110.5I835 N838 I848 V858 V859 V863 N884 I885I835-N861 PolarHBondContact O-ND2 2.82Å; N838-N861 WeakPolarHBondContact CB-OD1 3.31Å; N838-N861 PolarHBondContact N-OD1 3.15Å; N838-N861 PolarHBondContact ND2-OD1 2.99Å; N838-N861 CarbonylContact O-C 3.59Å; N838-N861 VanDerWaalsContact O-CA 3.28Å; N838-N861 WeakPolarHBondContact O-CA 3.42Å; I848-N861 HydrophobicContact CD1-CB 4.05Å; V858-N861 WeakPolarHBondContact CG1-ND2 3.39Å; V859-N861 PolarHBondContact N-ND2 2.92Å; V859-N861 VanDerWaalsContact N-ND2 3.18Å; V859-N861 PolarHBondContact O-N 3.18Å; V859-N861 VanDerWaalsContact O-N 3.12Å; V859-N861 PolarHBondContact O-ND2 2.9Å; N861-V863 HydrophobicContact CB-CG2 4.02Å; N861-N884 VanDerWaalsContact CB-OD1 3.31Å; N861-N884 WeakPolarHBondContact CB-OD1 3.47Å; N861-N884 PolarHBondContact N-OD1 2.83Å; N861-N884 PolarHBondContact ND2-OD1 2.8Å; N861-N884 CarbonylContact O-C 3.54Å; N861-N884 WeakPolarHBondContact O-CA 3.43Å; N861-I885 PolarHBondContact O-N 2.81Å
862R93.7Very high87.1Confident13 Ų1331.3 Ų31.35%0.04917%0.165CC..EExtended strand (participates in β ladder)trans-107.4113.1173-68.3-172.5-65-164.44.5107.7N838 D839 V840 I885 F887 L929 P932 P933N838-R862 PolarHBondContact O-N 3.11Å; D839-R862 WeakPolarHBondContact CA-O 3.27Å; D839-R862 VanDerWaalsContact CG-NH2 3.28Å; D839-R862 IonicContact OD1-CZ 3.52Å; D839-R862 IonicContact OD1-NE 3.55Å; D839-R862 PolarHBondContact OD1-NE 2.94Å; D839-R862 IonicContact OD1-NH2 3.81Å; D839-R862 PolarHBondContact OD1-NH2 3.3Å; D839-R862 VanDerWaalsContact OD1-NH2 3.1Å; D839-R862 IonicContact OD2-CZ 2.79Å; D839-R862 IonicContact OD2-NE 3.5Å; D839-R862 IonicContact OD2-NH2 3.78Å; D839-R862 PolarHBondContact OD2-NH2 2.91Å; V840-R862 PolarHBondContact N-O 2.87Å; R862-I885 WeakPolarHBondContact CA-O 3.41Å; R862-I885 HydrophobicContact CG-CB 4.4Å; R862-I885 HydrophobicContact CG-CD1 4.48Å; R862-F887 HydrophobicContact CB-CE2 4.09Å; R862-F887 HydrophobicContact CG-CE2 4.42Å; R862-L929 HydrophobicContact CB-CD2 4.37Å; R862-P932 PolarHBondContact NH1-O 3.42Å; R862-P932 PolarHBondContact NH2-O 3.12Å; R862-P933 PolarHBondContact NH2-O 3.19Å
863V93.1Very high87.7Confident0 Ų029.3 Ų29.30%015%0.148CC..EExtended strand (participates in β ladder)trans-125.4128.2-169.3-171.30000110.3V840 I848 N861 G870 I871 I885 L886 F887V840-V863 HydrophobicContact CB-CG1 4.24Å; V840-V863 HydrophobicContact CB-CG2 4.36Å; V840-V863 CarbonylContact O-C 3.45Å; V840-V863 VanDerWaalsContact O-CA 3.31Å; V840-V863 WeakPolarHBondContact O-CA 3.37Å; I848-V863 HydrophobicContact CD1-CG2 3.65Å; I848-V863 HydrophobicContact CG1-CG2 4.07Å; N861-V863 HydrophobicContact CB-CG2 4.02Å; V863-G870 WeakPolarHBondContact CG1-O 3.33Å; V863-I871 HydrophobicContact CG2-CG1 4.39Å; V863-I885 PolarHBondContact N-O 2.87Å; V863-L886 HydrophobicContact CB-CD2 3.73Å; V863-L886 HydrophobicContact CG2-CD2 4.11Å; V863-L886 WeakPolarHBondContact O-CA 3.48Å; V863-F887 PolarHBondContact O-N 2.81Å
864Q90.9Very high88.3Confident2 Ų231.3 Ų31.31%0.00916%0.159CC..EExtended strand (participates in β ladder)trans-133105.1171.2-169.7-169.624.500109.1Y363 I365 V840 V841 S842 F887 Q888Y363-Q864 PolarHBondContact O-NE2 3.23Å; I365-Q864 VanDerWaalsContact CB-OE1 3.24Å; I365-Q864 HydrophobicContact CD1-CB 3.9Å; I365-Q864 HydrophobicContact CD1-CG 4.13Å; I365-Q864 VanDerWaalsContact N-OE1 3.13Å; V840-Q864 PolarHBondContact O-N 2.88Å; V841-Q864 CarbonylContact C-O 3.59Å; V841-Q864 WeakPolarHBondContact CA-O 3.33Å; V841-Q864 HydrophobicContact CB-CB 4.44Å; V841-Q864 HydrophobicContact CG1-CB 4.31Å; V841-Q864 HydrophobicContact CG2-CB 4.18Å; S842-Q864 PolarHBondContact N-O 3.48Å; Q864-F887 HydrophobicContact CB-CB 4.03Å; Q864-F887 HydrophobicContact CG-CB 3.97Å; Q864-Q888 PolarHBondContact NE2-O 3.4Å
865P84.4Confident89.1Confident0 Ų027.9 Ų27.90%014%0.143CC..EExtended strand (participates in β ladder)trans-73142.4172.132.3-33.7000109.7G868 G889 L897P865-G868 WeakPolarHBondContact CG-O 3.4Å; P865-G889 WeakPolarHBondContact O-CA 3.03Å; P865-L897 HydrophobicContact CG-CD2 3.86Å
866A82.9Confident89Confident28 Ų2827.5 Ų27.523%0.23115%0.147CC..SBendtrans-72.7-46.916600000109.6N843 H890N843-A866 VanDerWaalsContact O-CB 3.27Å; N843-A866 WeakPolarHBondContact O-CB 3.36Å; N843-A866 PolarHBondContact O-N 3.24Å; A866-H890 PolarHBondContact O-N 2.9Å
867Q75.9Confident88.7Confident130 Ų13027.4 Ų27.461%0.60715%0.146SC*.SBendtrans-135.9144.8173.1-55.3175.3-5.100109.7C844 G845C844-Q867 WeakPolarHBondContact O-CB 3.38Å; G845-Q867 CarbonylContact C-O 3.56Å
868G82.9Confident88.3Confident7 Ų729.7 Ų29.77%0.07216%0.156CC..SBendtrans91.5-173.4179.200000115.7P865 N893P865-G868 WeakPolarHBondContact CG-O 3.4Å; G868-N893 PolarHBondContact N-ND2 2.99Å; G868-N893 PolarHBondContact N-OD1 3.49Å; G868-N893 PolarHBondContact O-ND2 3.22Å; G868-N893 PolarHBondContact O-OD1 3.18Å
869C86Confident87.9Confident4 Ų430 Ų303%0.02716%0.16CC..  trans-68.2146.5-179.6-50.80000112.7Y846 G847 A872 P896 H899Y846-C869 VanDerWaalsContact CA-O 3.28Å; Y846-C869 WeakPolarHBondContact CA-O 3.48Å; Y846-C869 HydrophobicContact CD1-CB 3.58Å; Y846-C869 HydrophobicContact CE1-CB 3.81Å; G847-C869 PolarHBondContact N-O 2.65Å; C869-A872 HydrophobicContact CB-CB 4.13Å; C869-P896 WeakPolarHBondContact CA-O 3.25Å; C869-P896 WeakPolarHBondContact CB-O 3.27Å; C869-P896 PolarHBondContact SG-O 3.07Å; C869-H899 HydrophobicContact CB-CB 4.45Å
870G87.3Confident87.7Confident0 Ų031.9 Ų31.90%017%0.171CC..SBendtrans-68.2-60.2173.300000110.8G847 I848 V863 L897G847-G870 CarbonylContact C-O 3.38Å; G847-G870 VanDerWaalsContact CA-O 3.26Å; G847-G870 WeakPolarHBondContact CA-O 3.16Å; G847-G870 PolarHBondContact N-O 2.74Å; I848-G870 PolarHBondContact N-O 2.84Å; V863-G870 WeakPolarHBondContact CG1-O 3.33Å; G870-L897 CarbonylContact C-O 3.59Å; G870-L897 WeakPolarHBondContact CA-O 3.39Å; G870-L897 PolarHBondContact N-O 3.32Å
871I92.8Very high87.5Confident0 Ų026 Ų260%015%0.149CC..EExtended strand (participates in β ladder)trans-122.3127170.4-60.6177.8000108.6I848 V858 V863 L873 V881 N884 L886 L897 L898 H899I848-I871 HydrophobicContact CB-CG1 4.23Å; I848-I871 HydrophobicContact CD1-CG1 4.45Å; I848-I871 CarbonylContact O-C 3.59Å; I848-I871 VanDerWaalsContact O-CA 3.28Å; I848-I871 WeakPolarHBondContact O-CA 3.28Å; V858-I871 HydrophobicContact CG1-CD1 4.27Å; V863-I871 HydrophobicContact CG2-CG1 4.39Å; I871-L873 HydrophobicContact CG2-CD2 4.2Å; I871-V881 HydrophobicContact CD1-CG1 4.26Å; I871-N884 HydrophobicContact CD1-CB 3.96Å; I871-L886 HydrophobicContact CD1-CD2 3.68Å; I871-L886 HydrophobicContact CG1-CD2 3.69Å; I871-L897 PolarHBondContact N-O 3.09Å; I871-L898 HydrophobicContact CB-CD1 3.77Å; I871-L898 HydrophobicContact CG2-CD1 3.98Å; I871-L898 CarbonylContact O-C 3.6Å; I871-L898 WeakPolarHBondContact O-CA 3.18Å; I871-H899 PolarHBondContact O-N 3.04Å
872A91.8Very high87.4Confident1 Ų128.2 Ų28.21%0.00816%0.159CC..EExtended strand (participates in β ladder)trans-122.1125.8175.600000110.7Y846 I848 V850 C869 L874 H899Y846-A872 HydrophobicContact CD1-CB 4.38Å; Y846-A872 HydrophobicContact CG-CB 4.43Å; I848-A872 PolarHBondContact O-N 3.25Å; V850-A872 PolarHBondContact N-O 2.88Å; C869-A872 HydrophobicContact CB-CB 4.13Å; A872-L874 HydrophobicContact CB-CD2 4.48Å; A872-L874 HydrophobicContact CB-CG 4.45Å; A872-H899 HydrophobicContact CB-CB 4.34Å
873L91.4Very high87.4Confident1 Ų130.2 Ų30.21%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-107.1107.3174.7-52.7-176.3000109.4V850 I871 V877 V881 H899 T900 D901 C907 L909V850-L873 HydrophobicContact CB-CD2 3.79Å; V850-L873 HydrophobicContact CG1-CD2 4.5Å; V850-L873 HydrophobicContact CG2-CD2 4.06Å; I871-L873 HydrophobicContact CG2-CD2 4.2Å; L873-V877 HydrophobicContact CB-CG2 4.5Å; L873-V881 HydrophobicContact CD1-CG2 4.02Å; L873-V881 HydrophobicContact CD2-CG2 4.14Å; L873-H899 PolarHBondContact N-O 2.92Å; L873-T900 HydrophobicContact CB-CG2 4.21Å; L873-T900 HydrophobicContact CD1-CG2 3.76Å; L873-T900 HydrophobicContact CG-CG2 4.15Å; L873-D901 PolarHBondContact O-N 2.95Å; L873-C907 HydrophobicContact CD1-CB 4.17Å; L873-C907 VanDerWaalsContact CD1-SG 3.55Å; L873-L909 HydrophobicContact CD1-CD2 4.24Å
874L88.1Confident87.4Confident43 Ų4330.2 Ų30.223%0.22517%0.171CC..EExtended strand (participates in β ladder)trans-112.9125.5-171.7-54.7176.4000111.6Q849 V850 S851 A852 A872 D901Q849-L874 HydrophobicContact CG-CD1 3.97Å; V850-L874 PolarHBondContact O-N 2.78Å; S851-L874 VanDerWaalsContact CA-O 3.23Å; S851-L874 WeakPolarHBondContact CA-O 3.43Å; A852-L874 PolarHBondContact N-O 2.87Å; A872-L874 HydrophobicContact CB-CD2 4.48Å; A872-L874 HydrophobicContact CB-CG 4.45Å; L874-D901 VanDerWaalsContact CA-OD2 3.27Å; L874-D901 WeakPolarHBondContact CA-OD2 3.26Å
875G83.3Confident87.4Confident29 Ų2933 Ų3330%0.29919%0.185SC..SBendtrans69.6-167.8-173.800000114V877 D901 N904G875-V877 PolarHBondContact O-N 3.48Å; G875-V877 VanDerWaalsContact O-N 3.12Å; G875-D901 PolarHBondContact N-OD2 3.02Å; G875-N904 PolarHBondContact O-ND2 3.12Å; G875-N904 PolarHBondContact O-OD1 3.27Å
876P82.1Confident87.7Confident98 Ų9833 Ų3364%0.63619%0.185SC*.SBendtrans-70.1110.7-175.828.5-33.6000110.8A852 S853A852-P876 WeakPolarHBondContact CA-O 3.47Å; S853-P876 PolarHBondContact N-O 3.23Å
877V84.3Confident87.9Confident0 Ų032.4 Ų32.40%018%0.177CC..  trans-118.5119.9177.11790000108.4V850 S853 I856 L873 G875 N904 T906 C907V850-V877 HydrophobicContact CG1-CG1 3.85Å; V850-V877 HydrophobicContact CG1-CG2 4.1Å; S853-V877 WeakPolarHBondContact O-CA 3.35Å; I856-V877 HydrophobicContact CG2-CG1 3.65Å; L873-V877 HydrophobicContact CB-CG2 4.5Å; G875-V877 PolarHBondContact O-N 3.48Å; G875-V877 VanDerWaalsContact O-N 3.12Å; V877-N904 PolarHBondContact N-OD1 2.82Å; V877-N904 PolarHBondContact O-OD1 3.31Å; V877-T906 PolarHBondContact O-OG1 2.82Å; V877-C907 WeakPolarHBondContact O-CB 3.15Å; V877-C907 PolarHBondContact O-N 2.57Å
878K85.1Confident88.2Confident135 Ų13528.6 Ų28.659%0.58716%0.16SC*.EExtended strand (participates in β ladder)trans-102.8114.3172.7-174.2179.1-179.6-179.70108.5S853 D855 I856S853-K878 PolarHBondContact O-N 3.3Å; D855-K878 WeakPolarHBondContact CA-O 3.38Å; D855-K878 PolarHBondContact N-O 2.78Å; I856-K878 PolarHBondContact N-O 3.07Å; I856-K878 VanDerWaalsContact N-O 3.12Å
879G85.6Confident88Confident8 Ų828.3 Ų28.38%0.08216%0.157CC..EExtended strand (participates in β ladder)trans173.7-176.3-17400000114.7I856 C907 V908I856-G879 CarbonylContact O-C 3.6Å; I856-G879 WeakPolarHBondContact O-CA 3.4Å; G879-C907 WeakPolarHBondContact O-CA 3.31Å; G879-C907 PolarHBondContact O-SG 2.77Å; G879-V908 PolarHBondContact O-N 3.49Å
880V90.1Very high87.5Confident47 Ų4732 Ų3229%0.28517%0.173SC..EExtended strand (participates in β ladder)trans-124.1124.8177.2-169.30000109.3I856 K857 V858 H882 V908I856-V880 PolarHBondContact O-N 2.67Å; K857-V880 WeakPolarHBondContact CA-O 3.42Å; V858-V880 PolarHBondContact N-O 3.16Å; V880-H882 HydrophobicContact CG1-CB 4.14Å; V880-V908 WeakPolarHBondContact CA-O 3.38Å; V880-V908 HydrophobicContact CG1-CB 4.45Å
881V91.4Very high86.6Confident1 Ų134.9 Ų34.91%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-111.4105172.2-1790000107.4V858 I871 L873 N884 V908 L909 R910 N912V858-V881 HydrophobicContact CB-CB 4.44Å; V858-V881 HydrophobicContact CB-CG1 4.25Å; V858-V881 HydrophobicContact CB-CG2 4.09Å; V858-V881 HydrophobicContact CG1-CG1 4.47Å; V858-V881 HydrophobicContact CG2-CG2 4.26Å; V858-V881 CarbonylContact O-C 3.52Å; V858-V881 WeakPolarHBondContact O-CA 3.08Å; I871-V881 HydrophobicContact CD1-CG1 4.26Å; L873-V881 HydrophobicContact CD1-CG2 4.02Å; L873-V881 HydrophobicContact CD2-CG2 4.14Å; V881-N884 WeakPolarHBondContact CG1-ND2 3.26Å; V881-V908 PolarHBondContact N-O 3.47Å; V881-L909 HydrophobicContact CB-CD2 3.62Å; V881-L909 HydrophobicContact CG1-CD2 3.92Å; V881-L909 HydrophobicContact CG2-CD2 4.18Å; V881-L909 WeakPolarHBondContact O-CA 3.32Å; V881-R910 PolarHBondContact O-N 2.96Å; V881-N912 PolarHBondContact O-ND2 2.83Å
882H92.8Very high85.5Confident46 Ų4642.1 Ų42.121%0.21323%0.226CC..EExtended strand (participates in β ladder)trans-141.6152.5-175.277.195.1000116.4V858 V859 R860 V880 N884 R910V858-H882 PolarHBondContact O-N 2.97Å; V859-H882 WeakPolarHBondContact CA-O 3.28Å; V859-H882 WeakPolarHBondContact CG1-CE1 3.44Å; V859-H882 WeakPolarHBondContact CG1-NE2 3.2Å; V859-H882 VanDerWaalsContact CG2-CD2 3.47Å; V859-H882 WeakPolarHBondContact CG2-CD2 3.17Å; V859-H882 WeakPolarHBondContact CG2-NE2 3.41Å; R860-H882 PolarHBondContact N-O 2.88Å; R860-H882 VanDerWaalsContact N-O 3.17Å; V880-H882 HydrophobicContact CG1-CB 4.14Å; H882-N884 PolarHBondContact N-ND2 3.32Å; H882-N884 PolarHBondContact O-N 2.86Å; H882-N884 VanDerWaalsContact O-N 3.12Å; H882-N884 PolarHBondContact O-ND2 2.8Å; H882-N884 VanDerWaalsContact O-ND2 3.16Å; H882-R910 WeakPolarHBondContact CA-O 3.43Å; H882-R910 HydrophobicContact CB-CB 4.05Å; H882-R910 VanDerWaalsContact CB-O 3.29Å; H882-R910 WeakPolarHBondContact CB-O 3.33Å
883D92.6Very high84.7Confident55 Ų5543.5 Ų43.529%0.29423%0.233SC..SBendtrans54.127.3178-55-43.8000114R860 R910 N911R860-D883 VanDerWaalsContact CA-O 3.29Å; R860-D883 WeakPolarHBondContact CA-O 3.35Å; R860-D883 HydrophobicContact CG-CB 3.89Å; D883-R910 PolarHBondContact N-O 2.77Å; D883-R910 VanDerWaalsContact N-O 3.16Å; D883-N911 WeakPolarHBondContact CA-O 3.31Å; D883-N911 WeakPolarHBondContact OD1-CB 3.45Å; D883-N911 PolarHBondContact OD1-ND2 2.9Å
884N93.2Very high83.8Confident0 Ų053.3 Ų53.30%028%0.276CS..  trans-84.7146176.4-56.5-79.4000110.8V858 R860 N861 I871 V881 H882 N912 S913V858-N884 PolarHBondContact O-ND2 3.16Å; R860-N884 PolarHBondContact N-OD1 2.76Å; N861-N884 VanDerWaalsContact CB-OD1 3.31Å; N861-N884 WeakPolarHBondContact CB-OD1 3.47Å; N861-N884 PolarHBondContact N-OD1 2.83Å; N861-N884 PolarHBondContact ND2-OD1 2.8Å; N861-N884 CarbonylContact O-C 3.54Å; N861-N884 WeakPolarHBondContact O-CA 3.43Å; I871-N884 HydrophobicContact CD1-CB 3.96Å; V881-N884 WeakPolarHBondContact CG1-ND2 3.26Å; H882-N884 PolarHBondContact N-ND2 3.32Å; H882-N884 PolarHBondContact O-N 2.86Å; H882-N884 VanDerWaalsContact O-N 3.12Å; H882-N884 PolarHBondContact O-ND2 2.8Å; H882-N884 VanDerWaalsContact O-ND2 3.16Å; N884-N912 WeakPolarHBondContact CB-OD1 3.33Å; N884-N912 PolarHBondContact N-OD1 2.81Å; N884-N912 VanDerWaalsContact N-OD1 3.09Å; N884-N912 PolarHBondContact ND2-OD1 2.8Å; N884-N912 CarbonylContact O-C 3.6Å; N884-N912 WeakPolarHBondContact O-CA 3.33Å; N884-S913 PolarHBondContact O-N 2.98Å
885I91.9Very high83.5Confident60 Ų6056.5 Ų56.531%0.30829%0.288SS..EExtended strand (participates in β ladder)trans-109.5117.6177-54.4174.8000108N861 R862 V863 F887 L915N861-I885 PolarHBondContact O-N 2.81Å; R862-I885 WeakPolarHBondContact CA-O 3.41Å; R862-I885 HydrophobicContact CG-CB 4.4Å; R862-I885 HydrophobicContact CG-CD1 4.48Å; V863-I885 PolarHBondContact N-O 2.87Å; I885-F887 HydrophobicContact CB-CE2 4.28Å; I885-F887 HydrophobicContact CG2-CD2 4.29Å; I885-F887 HydrophobicContact CG2-CE1 4.09Å; I885-F887 HydrophobicContact CG2-CE2 3.66Å; I885-F887 HydrophobicContact CG2-CZ 3.56Å; I885-L915 HydrophobicContact CG2-CD1 3.65Å; I885-L915 HydrophobicContact CG2-CG 4.3Å
886L90.6Very high83.5Confident0 Ų058.2 Ų58.20%029%0.294CS..EExtended strand (participates in β ladder)trans-110.1113.3-177.4-54179.7000109.4V863 I871 L897 L898 S913 I914 L915V863-L886 HydrophobicContact CB-CD2 3.73Å; V863-L886 HydrophobicContact CG2-CD2 4.11Å; V863-L886 WeakPolarHBondContact O-CA 3.48Å; I871-L886 HydrophobicContact CD1-CD2 3.68Å; I871-L886 HydrophobicContact CG1-CD2 3.69Å; L886-L897 HydrophobicContact CB-CB 4.31Å; L886-L897 HydrophobicContact CD1-CB 4.38Å; L886-L898 HydrophobicContact CD1-CB 3.94Å; L886-L898 HydrophobicContact CD1-CD1 4.38Å; L886-S913 PolarHBondContact N-O 2.84Å; L886-I914 HydrophobicContact CB-CG1 4.4Å; L886-I914 HydrophobicContact CD1-CG1 4.23Å; L886-L915 PolarHBondContact O-N 3.29Å
887F87.4Confident83.6Confident16 Ų1654.2 Ų54.27%0.0727%0.267CS..EExtended strand (participates in β ladder)trans-92.5140.8176.7-57.1-88.9000109.6I365 R862 V863 Q864 I885 L897 L915 W927I365-F887 HydrophobicContact CD1-CB 3.73Å; I365-F887 HydrophobicContact CD1-CD1 3.88Å; I365-F887 HydrophobicContact CD1-CD2 3.61Å; I365-F887 HydrophobicContact CD1-CE1 4.34Å; I365-F887 HydrophobicContact CD1-CE2 4.13Å; I365-F887 HydrophobicContact CD1-CG 3.46Å; I365-F887 VanDerWaalsContact CD1-CG 3.46Å; I365-F887 HydrophobicContact CD1-CZ 4.46Å; R862-F887 HydrophobicContact CB-CE2 4.09Å; R862-F887 HydrophobicContact CG-CE2 4.42Å; V863-F887 PolarHBondContact O-N 2.81Å; Q864-F887 HydrophobicContact CB-CB 4.03Å; Q864-F887 HydrophobicContact CG-CB 3.97Å; I885-F887 HydrophobicContact CB-CE2 4.28Å; I885-F887 HydrophobicContact CG2-CD2 4.29Å; I885-F887 HydrophobicContact CG2-CE1 4.09Å; I885-F887 HydrophobicContact CG2-CE2 3.66Å; I885-F887 HydrophobicContact CG2-CZ 3.56Å; F887-L897 WeakPolarHBondContact O-CD2 3.46Å; F887-L915 HydrophobicContact CD1-CB 4.24Å; F887-L915 HydrophobicContact CD1-CD1 3.73Å; F887-L915 HydrophobicContact CE1-CD1 3.44Å; F887-L915 VanDerWaalsContact CE1-CD1 3.44Å; F887-L915 HydrophobicContact CZ-CD1 4.2Å; F887-W927 HydrophobicContact CB-CD2 4.02Å; F887-W927 HydrophobicContact CB-CE3 3.72Å; F887-W927 HydrophobicContact CB-CZ3 4.08Å; F887-W927 HydrophobicContact CD1-CB 3.75Å; F887-W927 AromaticContact CD1-CD1 3.83Å; F887-W927 AromaticContact CD1-CD2 3.55Å; F887-W927 HydrophobicContact CD1-CD2 3.55Å; F887-W927 HydrophobicContact CD1-CE3 4.08Å; F887-W927 AromaticContact CD1-CG 3.42Å; F887-W927 HydrophobicContact CD1-CG 3.42Å; F887-W927 VanDerWaalsContact CD1-CG 3.42Å; F887-W927 HydrophobicContact CE1-CB 3.91Å; F887-W927 HydrophobicContact CE1-CD2 4.47Å; F887-W927 AromaticContact CE1-CG 3.9Å; F887-W927 HydrophobicContact CE1-CG 3.9Å; F887-W927 HydrophobicContact CG-CD2 4.23Å; F887-W927 HydrophobicContact CG-CE3 4.32Å; F887-W927 HydrophobicContact CG-CG 4.42Å
888Q82.3Confident83.9Confident50 Ų5056.2 Ų56.223%0.23428%0.278CS..  trans-63.9142.6175.4166178.428.100111Q864 L897 L915 W927Q864-Q888 PolarHBondContact NE2-O 3.4Å; Q888-L897 HydrophobicContact CB-CD1 4.02Å; Q888-L915 PolarHBondContact N-O 3.32Å; Q888-W927 HydrophobicContact CB-CH2 3.51Å; Q888-W927 HydrophobicContact CB-CZ2 4.2Å; Q888-W927 HydrophobicContact CB-CZ3 4.36Å; Q888-W927 HydrophobicContact CG-CH2 4.32Å; Q888-W927 VanDerWaalsContact N-CH2 3.31Å; Q888-W927 VanDerWaalsContact O-CH2 3.3Å; Q888-W927 WeakPolarHBondContact O-CH2 3.3Å; Q888-W927 WeakPolarHBondContact O-CZ3 3.19Å
889G77.1Confident84Confident1 Ų152.8 Ų52.81%0.0126%0.263CS..  trans-83.7-148.3178.100000112.1P865P865-G889 WeakPolarHBondContact O-CA 3.03Å
890H76.3Confident84Confident80 Ų8055.4 Ų55.437%0.3728%0.278SS..  trans-54.2142.8169.5-163.9-103.6000111.1A866 E892 N893A866-H890 PolarHBondContact O-N 2.9Å; H890-E892 IonicContact CE1-OE2 2.76Å; H890-E892 PolarHBondContact CE1-OE2 3.03Å; H890-E892 WeakPolarHBondContact ND1-CB 3.44Å; H890-E892 PolarHBondContact ND1-N 3.41Å; H890-E892 IonicContact ND1-OE2 3.42Å; H890-E892 PolarHBondContact O-N 2.81Å; H890-E892 VanDerWaalsContact O-N 3.12Å; H890-N893 WeakPolarHBondContact O-CB 3.39Å; H890-N893 PolarHBondContact O-N 2.79Å
891P68.6Low83.7Confident62 Ų6255.9 Ų55.940%0.40328%0.279SS..THydrogen-bonded Turntrans-57.5-28.1-178.9-26.434.4000114.5Y363 N893Y363-P891 HydrophobicContact CD1-CG 4.04Å; Y363-P891 HydrophobicContact CD2-CG 3.9Å; Y363-P891 HydrophobicContact CE1-CG 3.52Å; Y363-P891 HydrophobicContact CE2-CG 3.34Å; Y363-P891 HydrophobicContact CG-CG 4.22Å; Y363-P891 WeakPolarHBondContact OH-CG 3.28Å; P891-N893 PolarHBondContact O-N 2.84Å
892E69.3Low82.4Confident152 Ų15261.3 Ų61.371%0.7132%0.324SS*.THydrogen-bonded Turntrans-76.3-7177.7-60.8177.2163.700113.1H890 K894H890-E892 IonicContact CE1-OE2 2.76Å; H890-E892 PolarHBondContact CE1-OE2 3.03Å; H890-E892 WeakPolarHBondContact ND1-CB 3.44Å; H890-E892 PolarHBondContact ND1-N 3.41Å; H890-E892 IonicContact ND1-OE2 3.42Å; H890-E892 PolarHBondContact O-N 2.81Å; H890-E892 VanDerWaalsContact O-N 3.12Å; E892-K894 PolarHBondContact O-N 3.31Å
893N75.3Confident80.9Confident30 Ų3062.3 Ų62.316%0.1635%0.347CS..  trans-71.897.8176.5-172.86.5000110.6G868 H890 P891 K895G868-N893 PolarHBondContact N-ND2 2.99Å; G868-N893 PolarHBondContact N-OD1 3.49Å; G868-N893 PolarHBondContact O-ND2 3.22Å; G868-N893 PolarHBondContact O-OD1 3.18Å; H890-N893 WeakPolarHBondContact O-CB 3.39Å; H890-N893 PolarHBondContact O-N 2.79Å; P891-N893 PolarHBondContact O-N 2.84Å; N893-K895 VanDerWaalsContact C-N 3.3Å; N893-K895 PolarHBondContact OD1-N 2.77Å
894K72.4Confident79.9Confident206 Ų20660.5 Ų60.590%0.89634%0.337SS*.  trans-79.4-7.9178.7-63.9177.3-175.5172.60113.7E892E892-K894 PolarHBondContact O-N 3.31Å
895K80.9Confident78.4Confident110 Ų11069.4 Ų69.448%0.47838%0.379SS..SBendtrans-79.2146.2-176.8-61.8-152.7-171.9177.30111.7Y846 N893Y846-K895 HydrophobicContact CE1-CD 4.33Å; Y846-K895 PolarHBondContact OH-NZ 3.02Å; N893-K895 VanDerWaalsContact C-N 3.3Å; N893-K895 PolarHBondContact OD1-N 2.77Å
896P84.6Confident77.5Confident66 Ų6670.5 Ų70.543%0.42939%0.388SS..  trans-65.5141.7178.527.7-35.4000111.6C869 L898 H899C869-P896 WeakPolarHBondContact CA-O 3.25Å; C869-P896 WeakPolarHBondContact CB-O 3.27Å; C869-P896 PolarHBondContact SG-O 3.07Å; P896-L898 VanDerWaalsContact C-N 3.28Å; P896-L898 PolarHBondContact O-N 3.47Å; P896-H899 HydrophobicContact CG-CB 4.13Å
897L84.9Confident77.1Confident14 Ų1471.4 Ų71.47%0.07339%0.394CS..SBendtrans-69.3-26.5178.9-72.8168.6000113.2P865 G870 I871 L886 F887 Q888 I914P865-L897 HydrophobicContact CG-CD2 3.86Å; G870-L897 CarbonylContact C-O 3.59Å; G870-L897 WeakPolarHBondContact CA-O 3.39Å; G870-L897 PolarHBondContact N-O 3.32Å; I871-L897 PolarHBondContact N-O 3.09Å; L886-L897 HydrophobicContact CB-CB 4.31Å; L886-L897 HydrophobicContact CD1-CB 4.38Å; F887-L897 WeakPolarHBondContact O-CD2 3.46Å; Q888-L897 HydrophobicContact CB-CD1 4.02Å; L897-I914 HydrophobicContact CB-CG2 4.33Å; L897-I914 HydrophobicContact CD1-CG2 3.51Å
898L88.6Confident77Confident42 Ų4273.2 Ų73.222%0.2241%0.406CS..EExtended strand (participates in β ladder)trans-128.1117.8172.4-174.963.5000108.1I871 L886 P896 L909 I914I871-L898 HydrophobicContact CB-CD1 3.77Å; I871-L898 HydrophobicContact CG2-CD1 3.98Å; I871-L898 CarbonylContact O-C 3.6Å; I871-L898 WeakPolarHBondContact O-CA 3.18Å; L886-L898 HydrophobicContact CD1-CB 3.94Å; L886-L898 HydrophobicContact CD1-CD1 4.38Å; P896-L898 VanDerWaalsContact C-N 3.28Å; P896-L898 PolarHBondContact O-N 3.47Å; L898-L909 HydrophobicContact CD1-CD2 4.24Å; L898-L909 HydrophobicContact CD2-CD1 4.25Å; L898-L909 HydrophobicContact CD2-CD2 4.1Å; L898-I914 HydrophobicContact CB-CD1 4.42Å
899H88.3Confident77.2Confident63 Ų6374.2 Ų74.229%0.29241%0.413SS..EExtended strand (participates in β ladder)trans-119.7136179.4179.272.6000110.9C869 I871 A872 L873 P896 D901C869-H899 HydrophobicContact CB-CB 4.45Å; I871-H899 PolarHBondContact O-N 3.04Å; A872-H899 HydrophobicContact CB-CB 4.34Å; L873-H899 PolarHBondContact N-O 2.92Å; P896-H899 HydrophobicContact CG-CB 4.13Å; H899-D901 IonicContact CD2-OD1 3.87Å; H899-D901 IonicContact CE1-OD1 3.07Å; H899-D901 IonicContact NE2-OD1 3.83Å; H899-D901 PolarHBondContact NE2-OD1 2.9Å
900T85Confident77.6Confident62 Ų6281.8 Ų81.838%0.3844%0.441SS..EExtended strand (participates in β ladder)trans-137.6127.7175.354.90000110.5L873 L909L873-T900 HydrophobicContact CB-CG2 4.21Å; L873-T900 HydrophobicContact CD1-CG2 3.76Å; L873-T900 HydrophobicContact CG-CG2 4.15Å; T900-L909 HydrophobicContact CG2-CD1 3.8Å
901D83.8Confident78Confident57 Ų5784 Ų8431%0.30546%0.456SS..  trans-64.5149.1176.2-71.7-9.1000112.5L873 L874 G875 H899 G903 N904L873-D901 PolarHBondContact O-N 2.95Å; L874-D901 VanDerWaalsContact CA-OD2 3.27Å; L874-D901 WeakPolarHBondContact CA-OD2 3.26Å; G875-D901 PolarHBondContact N-OD2 3.02Å; H899-D901 IonicContact CD2-OD1 3.87Å; H899-D901 IonicContact CE1-OD1 3.07Å; H899-D901 IonicContact NE2-OD1 3.83Å; H899-D901 PolarHBondContact NE2-OD1 2.9Å; D901-G903 PolarHBondContact O-N 2.94Å; D901-N904 WeakPolarHBondContact O-CB 3.33Å; D901-N904 PolarHBondContact O-N 3.07Å; D901-N904 VanDerWaalsContact O-N 3.16Å
902A64.5Low78.9Confident115 Ų11582.6 Ų82.695%0.9545%0.445SS*.THydrogen-bonded Turntrans-64.4-6.8-17100000115.6
903G62.1Low79.8Confident68 Ų6878.4 Ų78.470%0.70143%0.432SS*.THydrogen-bonded Turntrans-108.210.8177.600000115.1D901 E905D901-G903 PolarHBondContact O-N 2.94Å; G903-E905 PolarHBondContact O-N 3.45Å
904N70.2Confident80.3Confident17 Ų1780.4 Ų80.49%0.09144%0.443CS..  trans-96.250.4-167.5-136.9-7.9000114.3G875 V877 D901 T906 C907G875-N904 PolarHBondContact O-ND2 3.12Å; G875-N904 PolarHBondContact O-OD1 3.27Å; V877-N904 PolarHBondContact N-OD1 2.82Å; V877-N904 PolarHBondContact O-OD1 3.31Å; D901-N904 WeakPolarHBondContact O-CB 3.33Å; D901-N904 PolarHBondContact O-N 3.07Å; D901-N904 VanDerWaalsContact O-N 3.16Å; N904-T906 PolarHBondContact O-N 3.11Å; N904-C907 PolarHBondContact O-N 3.2Å
905E63.4Low80.9Confident187 Ų18774 Ų7487%0.87442%0.417SS*.THydrogen-bonded Turntrans-67.5-16.6-175.8-61.3-174.4172.900114G903G903-E905 PolarHBondContact O-N 3.45Å
906T72.4Confident80.7Confident83 Ų8377.1 Ų77.151%0.50943%0.426SS..THydrogen-bonded Turntrans-88.1-5.3-175.759.60000114.5V877 N904V877-T906 PolarHBondContact O-OG1 2.82Å; N904-T906 PolarHBondContact O-N 3.11Å
907C81.3Confident79.8Confident18 Ų1878.2 Ų78.212%0.12243%0.425CS..EExtended strand (participates in β ladder)trans-99126.9178.1-1620000111.4L873 V877 G879 N904L873-C907 HydrophobicContact CD1-CB 4.17Å; L873-C907 VanDerWaalsContact CD1-SG 3.55Å; V877-C907 WeakPolarHBondContact O-CB 3.15Å; V877-C907 PolarHBondContact O-N 2.57Å; G879-C907 WeakPolarHBondContact O-CA 3.31Å; G879-C907 PolarHBondContact O-SG 2.77Å; N904-C907 PolarHBondContact O-N 3.2Å
908V84.9Confident78.4Confident54 Ų5483.9 Ų83.933%0.32746%0.455SS..EExtended strand (participates in β ladder)trans-96.8112.4-178.3178.70000110.3G879 V880 V881 R910G879-V908 PolarHBondContact O-N 3.49Å; V880-V908 WeakPolarHBondContact CA-O 3.38Å; V880-V908 HydrophobicContact CG1-CB 4.45Å; V881-V908 PolarHBondContact N-O 3.47Å; V908-R910 HydrophobicContact CG1-CG 3.79Å; V908-R910 VanDerWaalsContact CG1-NE 3.27Å
909L86.5Confident76.7Confident72 Ų7288.9 Ų88.938%0.37748%0.482SS..EExtended strand (participates in β ladder)trans-91.9121.4171.9-64.4168000110.2L873 V881 L898 T900L873-L909 HydrophobicContact CD1-CD2 4.24Å; V881-L909 HydrophobicContact CB-CD2 3.62Å; V881-L909 HydrophobicContact CG1-CD2 3.92Å; V881-L909 HydrophobicContact CG2-CD2 4.18Å; V881-L909 WeakPolarHBondContact O-CA 3.32Å; L898-L909 HydrophobicContact CD1-CD2 4.24Å; L898-L909 HydrophobicContact CD2-CD1 4.25Å; L898-L909 HydrophobicContact CD2-CD2 4.1Å; T900-L909 HydrophobicContact CG2-CD1 3.8Å
910R85.6Confident74.5Confident160 Ų16089.9 Ų89.960%0.60450%0.496SS*.EExtended strand (participates in β ladder)trans-138.9135.5178-72.3176.5-176.8170.23.7112.1V881 H882 D883 V908 N912V881-R910 PolarHBondContact O-N 2.96Å; H882-R910 WeakPolarHBondContact CA-O 3.43Å; H882-R910 HydrophobicContact CB-CB 4.05Å; H882-R910 VanDerWaalsContact CB-O 3.29Å; H882-R910 WeakPolarHBondContact CB-O 3.33Å; D883-R910 PolarHBondContact N-O 2.77Å; D883-R910 VanDerWaalsContact N-O 3.16Å; V908-R910 HydrophobicContact CG1-CG 3.79Å; V908-R910 VanDerWaalsContact CG1-NE 3.27Å; R910-N912 PolarHBondContact O-N 2.87Å; R910-N912 PolarHBondContact O-ND2 3.39Å
911N85.2Confident72.6Confident127 Ų12791.3 Ų91.368%0.67952%0.523SS*.SBendtrans53.829169.9-62-7.6000116.2D883D883-N911 WeakPolarHBondContact CA-O 3.31Å; D883-N911 WeakPolarHBondContact OD1-CB 3.45Å; D883-N911 PolarHBondContact OD1-ND2 2.9Å
912N88.8Confident70.4Confident32 Ų3292.4 Ų92.417%0.17154%0.54CS..  trans-81.1124.5174.4-60.1-67000109.7V881 N884 R910V881-N912 PolarHBondContact O-ND2 2.83Å; N884-N912 WeakPolarHBondContact CB-OD1 3.33Å; N884-N912 PolarHBondContact N-OD1 2.81Å; N884-N912 VanDerWaalsContact N-OD1 3.09Å; N884-N912 PolarHBondContact ND2-OD1 2.8Å; N884-N912 CarbonylContact O-C 3.6Å; N884-N912 WeakPolarHBondContact O-CA 3.33Å; R910-N912 PolarHBondContact O-N 2.87Å; R910-N912 PolarHBondContact O-ND2 3.39Å
913S87.7Confident69.3Low63 Ų6392.8 Ų92.844%0.44154%0.535SS..EExtended strand (participates in β ladder)trans-98.1126.3-176.2-62.80000110.7N884 L886N884-S913 PolarHBondContact O-N 2.98Å; L886-S913 PolarHBondContact N-O 2.84Å
914I86Confident68.4Low73 Ų7394 Ų9437%0.37453%0.533SS..EExtended strand (participates in β ladder)trans-107.8118.4178-60177.3000108.9L886 L897 L898 R916L886-I914 HydrophobicContact CB-CG1 4.4Å; L886-I914 HydrophobicContact CD1-CG1 4.23Å; L897-I914 HydrophobicContact CB-CG2 4.33Å; L897-I914 HydrophobicContact CD1-CG2 3.51Å; L898-I914 HydrophobicContact CB-CD1 4.42Å; I914-R916 HydrophobicContact CG2-CG 4.21Å
915L83.5Confident67.4Low70 Ų7097.8 Ų97.837%0.36656%0.559SS.*EExtended strand (participates in β ladder)trans-105.4113.2-179.6-59.5176.7000109.4I885 L886 F887 Q888 W927I885-L915 HydrophobicContact CG2-CD1 3.65Å; I885-L915 HydrophobicContact CG2-CG 4.3Å; L886-L915 PolarHBondContact O-N 3.29Å; F887-L915 HydrophobicContact CD1-CB 4.24Å; F887-L915 HydrophobicContact CD1-CD1 3.73Å; F887-L915 HydrophobicContact CE1-CD1 3.44Å; F887-L915 VanDerWaalsContact CE1-CD1 3.44Å; F887-L915 HydrophobicContact CZ-CD1 4.2Å; Q888-L915 PolarHBondContact N-O 3.32Å; L915-W927 HydrophobicContact CB-CZ2 4.5Å; L915-W927 VanDerWaalsContact O-CZ2 3.29Å; L915-W927 WeakPolarHBondContact O-CZ2 3.41Å
916R78Confident67.2Low177 Ų17792.6 Ų92.667%0.66854%0.541SS*.  trans-108150.3177.6-64.1-174.4-177.2-179.40.4110.5I914 N918I914-R916 HydrophobicContact CG2-CG 4.21Å; R916-N918 PolarHBondContact O-N 3.5Å
917F65.6Low67.1Low89 Ų8991.3 Ų91.339%0.3953%0.527SS..  trans-71.3119.4176.3-163.3-93.7000109.5L361 Y363 N919L361-F917 HydrophobicContact CD2-CZ 4.42Å; Y363-F917 HydrophobicContact CE1-CD2 4.47Å; Y363-F917 HydrophobicContact CE1-CG 4.45Å; F917-N919 WeakPolarHBondContact CE1-OD1 3.36Å
918N56.1Low66.6Low132 Ų13293.4 Ų93.471%0.70654%0.539SS*.  trans-98116.8174.8-113.62.2000108.9R916 S920R916-N918 PolarHBondContact O-N 3.5Å; N918-S920 PolarHBondContact O-N 2.92Å
919N51.2Low66.5Low148 Ų14891 Ų9179%0.79152%0.524SS*.  trans-68.317.7179.3-104-3.6000114.6F917 G921F917-N919 WeakPolarHBondContact CE1-OD1 3.36Å; N919-G921 PolarHBondContact O-N 3.17Å
920S42.9Very low65.7Low84 Ų8493.7 Ų93.759%0.58754%0.535SS*.SBendtrans-88.679.2-177.461.70000111.4N918 A922N918-S920 PolarHBondContact O-N 2.92Å; S920-A922 PolarHBondContact O-N 2.92Å
921G44.7Very low65.2Low92 Ų9293.3 Ų93.395%0.94855%0.545SS*.SBendtrans4210.1143.100000123N919N919-G921 PolarHBondContact O-N 3.17Å
922A37.1Very low65Low79 Ų7989.8 Ų89.865%0.65353%0.529SS*.SBendtrans-127.7139.1-179.900000110.2S920 S924S920-A922 PolarHBondContact O-N 2.92Å; A922-S924 PolarHBondContact O-N 3.47Å
923S42.8Very low64.9Low123 Ų12391.3 Ų91.386%0.8654%0.541SS*.  trans-64.460.8-173.262.20000114.7
924S42.7Very low65Low93 Ų9388.8 Ų88.865%0.6552%0.523SS*.PPolyproline II helixtrans-74.6129.2163.750.60000108.7A922A922-S924 PolarHBondContact O-N 3.47Å
925P48.1Very low65.3Low97 Ų9786.2 Ų86.263%0.6351%0.509SS*.PPolyproline II helixtrans-58.9151.8178.523.9-31.6000110.6
926P60.2Low65.6Low78 Ų7883 Ų8351%0.50649%0.492SS..PPolyproline II helixtrans-50.9145.716724.3-32.9000108.4V928P926-V928 WeakPolarHBondContact O-CG2 3.14Å; P926-V928 PolarHBondContact O-N 2.8Å; P926-V928 VanDerWaalsContact O-N 3.08Å
927W70.3Confident65.9Low56 Ų5678.8 Ų78.821%0.21248%0.482CS..PPolyproline II helixtrans-51.7123.8-177.5-60.5-46.1000110.5I365 F887 Q888 L915I365-W927 HydrophobicContact CD1-CB 3.94Å; I365-W927 HydrophobicContact CD1-CE3 4.25Å; I365-W927 HydrophobicContact CG1-CB 3.78Å; I365-W927 HydrophobicContact CG1-CE3 4.27Å; F887-W927 HydrophobicContact CB-CD2 4.02Å; F887-W927 HydrophobicContact CB-CE3 3.72Å; F887-W927 HydrophobicContact CB-CZ3 4.08Å; F887-W927 HydrophobicContact CD1-CB 3.75Å; F887-W927 AromaticContact CD1-CD1 3.83Å; F887-W927 AromaticContact CD1-CD2 3.55Å; F887-W927 HydrophobicContact CD1-CD2 3.55Å; F887-W927 HydrophobicContact CD1-CE3 4.08Å; F887-W927 AromaticContact CD1-CG 3.42Å; F887-W927 HydrophobicContact CD1-CG 3.42Å; F887-W927 VanDerWaalsContact CD1-CG 3.42Å; F887-W927 HydrophobicContact CE1-CB 3.91Å; F887-W927 HydrophobicContact CE1-CD2 4.47Å; F887-W927 AromaticContact CE1-CG 3.9Å; F887-W927 HydrophobicContact CE1-CG 3.9Å; F887-W927 HydrophobicContact CG-CD2 4.23Å; F887-W927 HydrophobicContact CG-CE3 4.32Å; F887-W927 HydrophobicContact CG-CG 4.42Å; Q888-W927 HydrophobicContact CB-CH2 3.51Å; Q888-W927 HydrophobicContact CB-CZ2 4.2Å; Q888-W927 HydrophobicContact CB-CZ3 4.36Å; Q888-W927 HydrophobicContact CG-CH2 4.32Å; Q888-W927 VanDerWaalsContact N-CH2 3.31Å; Q888-W927 VanDerWaalsContact O-CH2 3.3Å; Q888-W927 WeakPolarHBondContact O-CH2 3.3Å; Q888-W927 WeakPolarHBondContact O-CZ3 3.19Å; L915-W927 HydrophobicContact CB-CZ2 4.5Å; L915-W927 VanDerWaalsContact O-CZ2 3.29Å; L915-W927 WeakPolarHBondContact O-CZ2 3.41Å
928V71.9Confident65.5Low63 Ų6378 Ų7838%0.38249%0.492SS..  trans-119.4140178.8-1620000109.3P926 E930P926-V928 WeakPolarHBondContact O-CG2 3.14Å; P926-V928 PolarHBondContact O-N 2.8Å; P926-V928 VanDerWaalsContact O-N 3.08Å; V928-E930 HydrophobicContact CB-CG 3.9Å; V928-E930 HydrophobicContact CG1-CG 3.61Å; V928-E930 PolarHBondContact O-N 2.96Å
929L81.3Confident65.2Low3 Ų376.9 Ų76.92%0.01650%0.495CS..  trans-7962.4170-55.4170.1000109.4I365 R862 P932 P933 P934I365-L929 HydrophobicContact CG2-CD1 3.77Å; I365-L929 HydrophobicContact CG2-CD2 3.95Å; I365-L929 HydrophobicContact CG2-CG 3.44Å; I365-L929 VanDerWaalsContact CG2-CG 3.44Å; R862-L929 HydrophobicContact CB-CD2 4.37Å; L929-P932 CarbonylContact C-O 3.55Å; L929-P932 VanDerWaalsContact O-O 3.13Å; L929-P933 CarbonylContact O-C 3.22Å; L929-P933 WeakPolarHBondContact O-CA 3.2Å; L929-P934 HydrophobicContact CB-CB 4.33Å; L929-P934 HydrophobicContact CB-CG 3.93Å; L929-P934 HydrophobicContact CD1-CB 3.87Å; L929-P934 HydrophobicContact CD1-CG 4.17Å; L929-P934 VanDerWaalsContact O-CD 3.23Å; L929-P934 WeakPolarHBondContact O-CD 3.37Å
930E70.1Confident64.2Low129 Ų12974.2 Ų74.260%0.60349%0.487SS*.  trans-83.7-37.3-177.6-81.3178-177.400113.1V928 P932V928-E930 HydrophobicContact CB-CG 3.9Å; V928-E930 HydrophobicContact CG1-CG 3.61Å; V928-E930 PolarHBondContact O-N 2.96Å; E930-P932 CarbonylContact C-O 3.57Å; E930-P932 CarbonylContact O-C 3.56Å
931N75.3Confident64Low151 Ų15176.3 Ų76.381%0.80750%0.499SS*.SBendtrans-136.698.1-172.8-73-59.2000111.9
932P81.9Confident63.1Low53 Ų5377.6 Ų77.634%0.34449%0.489SS..SBendcis-70.4166.2-5.628.7-34.6000113.3R862 L929 E930 L937R862-P932 PolarHBondContact NH1-O 3.42Å; R862-P932 PolarHBondContact NH2-O 3.12Å; L929-P932 CarbonylContact C-O 3.55Å; L929-P932 VanDerWaalsContact O-O 3.13Å; E930-P932 CarbonylContact C-O 3.57Å; E930-P932 CarbonylContact O-C 3.56Å; P932-L937 HydrophobicContact CB-CD2 4.25Å
933P86.8Confident62.9Low64 Ų6477.5 Ų77.542%0.41650%0.495SS..PPolyproline II helixtrans-58.6169.3174.920.9-30.1000112.8R862 L929 R935 L937R862-P933 PolarHBondContact NH2-O 3.19Å; L929-P933 CarbonylContact O-C 3.22Å; L929-P933 WeakPolarHBondContact O-CA 3.2Å; P933-R935 PolarHBondContact O-N 2.83Å; P933-L937 HydrophobicContact CG-CD2 3.77Å
934P89.1Confident62.1Low11 Ų1177.4 Ų77.47%0.07149%0.485CS..SBendtrans-55.8136.8176-18.528.4000111.6Y367 H369 H370 L929Y367-P934 WeakPolarHBondContact O-CB 3.36Å; H369-P934 HydrophobicContact CB-CG 4.44Å; H370-P934 WeakPolarHBondContact CA-O 3.44Å; H370-P934 HydrophobicContact CB-CB 4.13Å; L929-P934 HydrophobicContact CB-CB 4.33Å; L929-P934 HydrophobicContact CB-CG 3.93Å; L929-P934 HydrophobicContact CD1-CB 3.87Å; L929-P934 HydrophobicContact CD1-CG 4.17Å; L929-P934 VanDerWaalsContact O-CD 3.23Å; L929-P934 WeakPolarHBondContact O-CD 3.37Å
935R91.8Very high61.3Low19 Ų1977.2 Ų77.27%0.07248%0.483CS..SBendtrans-82.8156.4178.8-67.6176.1-177.4138.1-13.6111.4H370 G818 Y820 E837 N838 D839 P933 L937H370-R935 VanDerWaalsContact CB-O 3.27Å; H370-R935 WeakPolarHBondContact CB-O 3.18Å; G818-R935 WeakPolarHBondContact CA-O 3.39Å; Y820-R935 VanDerWaalsContact CE2-O 3.27Å; Y820-R935 WeakPolarHBondContact CE2-O 3.46Å; Y820-R935 PolarHBondContact OH-N 3.08Å; Y820-R935 PolarHBondContact OH-O 2.86Å; E837-R935 VanDerWaalsContact CA-CZ 3.49Å; E837-R935 VanDerWaalsContact CA-NH2 3.34Å; E837-R935 VanDerWaalsContact CB-NH2 3.29Å; E837-R935 WeakPolarHBondContact O-CD 3.4Å; E837-R935 PolarHBondContact O-NE 2.88Å; E837-R935 PolarHBondContact O-NH1 2.9Å; E837-R935 VanDerWaalsContact O-NH1 3.13Å; N838-R935 PolarHBondContact O-NH1 3.22Å; N838-R935 VanDerWaalsContact O-NH1 3.12Å; D839-R935 HydrophobicContact CB-CB 4.18Å; D839-R935 WeakPolarHBondContact OD1-CD 3.27Å; D839-R935 IonicContact OD1-CZ 3.78Å; D839-R935 IonicContact OD1-NE 2.82Å; D839-R935 IonicContact OD1-NH1 2.91Å; D839-R935 PolarHBondContact OD1-NH1 3.39Å; D839-R935 VanDerWaalsContact OD2-CB 3.32Å; D839-R935 WeakPolarHBondContact OD2-CB 3.42Å; D839-R935 VanDerWaalsContact OD2-CG 3.32Å; D839-R935 WeakPolarHBondContact OD2-CG 3.45Å; D839-R935 PolarHBondContact OD2-N 2.88Å; P933-R935 PolarHBondContact O-N 2.83Å; R935-L937 HydrophobicContact CG-CD2 4.31Å; R935-L937 HydrophobicContact CG-CG 4.38Å
936P89.1Confident60.5Low3 Ų379 Ų792%0.01950%0.498CS..SBendcis-65.7146.7-6.329-36.6000112.3G371 L372 T793 C795G371-P936 WeakPolarHBondContact CA-O 2.98Å; G371-P936 PolarHBondContact N-O 3Å; L372-P936 HydrophobicContact CB-CG 4.29Å; L372-P936 HydrophobicContact CD1-CG 3.83Å; L372-P936 HydrophobicContact CG-CG 3.78Å; T793-P936 WeakPolarHBondContact O-CB 3.23Å; T793-P936 WeakPolarHBondContact O-CG 3.44Å; C795-P936 HydrophobicContact CB-CG 4.19Å
937L84.6Confident59Low87 Ų8779.7 Ų79.746%0.45551%0.505SS..PPolyproline II helixtrans-69.5139.1179.9-58.6175000109.7P932 P933 R935 S939P932-L937 HydrophobicContact CB-CD2 4.25Å; P933-L937 HydrophobicContact CG-CD2 3.77Å; R935-L937 HydrophobicContact CG-CD2 4.31Å; R935-L937 HydrophobicContact CG-CG 4.38Å; L937-S939 PolarHBondContact O-N 2.9Å
938A58.9Low56.9Low74 Ų7484 Ų8461%0.61253%0.527SS*.PPolyproline II helixtrans-60.5119.9176.500000110.3S940A938-S940 PolarHBondContact O-N 2.87Å
939S49.8Very low54.9Low108 Ų10891.4 Ų91.476%0.75555%0.55SS*.  trans-71.7105.9152.846.40000106.2L937 P941L937-S939 PolarHBondContact O-N 2.9Å; S939-P941 WeakPolarHBondContact O-CD 3.39Å
940S28.7Very low52.5Low91 Ų9195.8 Ų95.864%0.63658%0.579SS**  trans-56.2127175.747.90000110.4A938 T942A938-S940 PolarHBondContact O-N 2.87Å; S940-T942 PolarHBondContact O-N 3.31Å
941P38.8Very low50.7Low128 Ų12894.8 Ų94.883%0.83159%0.586SS**  trans-84.392.4171.332.2-28.1000108.4S939S939-P941 WeakPolarHBondContact O-CD 3.39Å
942T26.6Very low48.5Very low119 Ų11998.8 Ų98.873%0.7359%0.59SS**  trans-108.3110.8164.647.70000108.5S940S940-T942 PolarHBondContact O-N 3.31Å
943G32.8Very low46Very low77 Ų77103.8 Ų103.879%0.79461%0.613SS**  trans-19.6121-173.600000118
944L26.5Very low43.2Very low122 Ų122104.8 Ų104.864%0.63964%0.635SS**  trans-135.5125.3150.6-80.8168.6000108.5P950L944-P950 HydrophobicContact CD1-CG 3.57Å
945S25Very low40.3Very low89 Ų89110.7 Ų110.762%0.62266%0.664SS**  trans-42.8147.7167.4-174.80000111.2S947S945-S947 PolarHBondContact O-N 3.47Å
946S30.9Very low37.1Very low134 Ų134115.7 Ų115.794%0.93770%0.702SS**THydrogen-bonded Turntrans-62.627.4-179.349.40000115.6
947S29.5Very low34.2Very low93 Ų93122.5 Ų122.565%0.6574%0.736SS**THydrogen-bonded Turntrans-130.80.6-176.961.30000115.9S945S945-S947 PolarHBondContact O-N 3.47Å
948Q26.4Very low31.5Very low146 Ų146125 Ų12568%0.68275%0.754SS**  trans-144.9104.6174.3-68.5-173.5-6.200112.1P950Q948-P950 WeakPolarHBondContact O-CD 3.5Å
949Y30.3Very low29.9Very low218 Ų218127.8 Ų127.886%0.85576%0.764SS**  trans-71.1121.5168-84.4-93.5000110.6
950P29.2Very low29Very low95 Ų95134.1 Ų134.162%0.61777%0.771SS**  trans-88.5120.3170.4-2.322.2000111.2L944 Q948 R952L944-P950 HydrophobicContact CD1-CG 3.57Å; Q948-P950 WeakPolarHBondContact O-CD 3.5Å; P950-R952 VanDerWaalsContact C-N 3.31Å; P950-R952 PolarHBondContact O-N 3.47Å
951S33.1Very low29Very low109 Ų109136.1 Ų136.176%0.76278%0.779SS**  trans-69.656.6175.344.10000115.1
952R28.3Very low28.6Very low235 Ų235133.5 Ų133.589%0.88778%0.776SS**  trans-134.269.6175.3-73.8-167.1178.5-168.11.4114.2P950P950-R952 VanDerWaalsContact C-N 3.31Å; P950-R952 PolarHBondContact O-N 3.47Å
953L30.6Very low28.8Very low157 Ų157131.9 Ų131.982%0.82278%0.775SS**SBendtrans-114.5112.3141.9-91156.2000106I955L953-I955 VanDerWaalsContact C-N 3.29Å; L953-I955 PolarHBondContact O-N 3.2Å
954G26.8Very low28.6Very low85 Ų85132.9 Ų132.988%0.87678%0.775SS**  trans-62.989-179.700000110.7S956G954-S956 PolarHBondContact O-N 3.29Å
955I28.3Very low28.8Very low136 Ų136133.7 Ų133.770%0.69779%0.785SS**  trans-69.3110.7157.1-55.3171.2000104.4L953 M957L953-I955 VanDerWaalsContact C-N 3.29Å; L953-I955 PolarHBondContact O-N 3.2Å; I955-M957 HydrophobicContact CB-CG 4.19Å; I955-M957 HydrophobicContact CG2-CG 3.46Å; I955-M957 VanDerWaalsContact CG2-CG 3.46Å; I955-M957 PolarHBondContact O-N 2.94Å
956S26.2Very low29.1Very low124 Ų124138 Ų13887%0.86780%0.795SS**  trans-64.379.3162171.90000107.6G954G954-S956 PolarHBondContact O-N 3.29Å
957M27.1Very low29.3Very low146 Ų146137.7 Ų137.772%0.71979%0.793SS**  trans-75.6121.2166.8-76-138-8500107.3I955 T959I955-M957 HydrophobicContact CB-CG 4.19Å; I955-M957 HydrophobicContact CG2-CG 3.46Å; I955-M957 VanDerWaalsContact CG2-CG 3.46Å; I955-M957 PolarHBondContact O-N 2.94Å; M957-T959 PolarHBondContact O-N 3.16Å
958T27.5Very low29.9Very low138 Ų138136.4 Ų136.485%0.84779%0.794SS**  trans-45.5109.2154.69.60000108R960T958-R960 VanDerWaalsContact C-N 3.32Å; T958-R960 PolarHBondContact O-N 3.14Å
959T25.8Very low30.1Very low133 Ų133136 Ų13682%0.81681%0.806SS**  trans-62.993.2173.17.60000108.1M957 V961M957-T959 PolarHBondContact O-N 3.16Å; T959-V961 PolarHBondContact O-N 2.79Å
960R31.3Very low30.3Very low242 Ų242134.4 Ų134.491%0.91381%0.806SS**  trans-72.4103153-86.6-170.8175.8176.4-0.3106.3T958 G962T958-R960 VanDerWaalsContact C-N 3.32Å; T958-R960 PolarHBondContact O-N 3.14Å; R960-G962 PolarHBondContact O-N 3.29Å
961V28.2Very low30.6Very low132 Ų132135.7 Ų135.780%0.882%0.817SS**  trans-66.1100.7166.7179.20000106.8T959T959-V961 PolarHBondContact O-N 2.79Å
962G30.4Very low30.6Very low73 Ų73134 Ų13475%0.75382%0.817SS**  trans-84.1107.8165.900000108.3R960R960-G962 PolarHBondContact O-N 3.29Å
963A30Very low31Very low86 Ų86128.5 Ų128.571%0.71181%0.814SS**  trans-74.9128.5166.400000108.5V965A963-V965 PolarHBondContact O-N 3.12Å
964A29.6Very low31Very low98 Ų98129.9 Ų129.981%0.8182%0.819SS**  trans-68.3119.2168.100000108.3E966A964-E966 PolarHBondContact O-N 2.97Å
965V29.9Very low31.1Very low138 Ų138134.8 Ų134.884%0.83682%0.817SS**  trans-88.599.4166.5-178.70000106A963A963-V965 PolarHBondContact O-N 3.12Å
966E31.7Very low30.9Very low181 Ų181134.1 Ų134.185%0.84682%0.823SS**  trans-61.1140163.7-81.7-175.4159.400109.1A964 G968A964-E966 PolarHBondContact O-N 2.97Å; E966-G968 PolarHBondContact O-N 2.83Å
967S36.1Very low30.9Very low127 Ų127132.8 Ų132.889%0.88881%0.813SS**SBendtrans-56.5117-175.352.40000112.4
968G41.5Very low30.9Very low65 Ų65133.6 Ų133.667%0.6782%0.819SS**  trans123.391.5156.100000115E966E966-G968 PolarHBondContact O-N 2.83Å
969C29.6Very low30.9Very low139 Ų139138.1 Ų138.194%0.93984%0.837SS**  trans-162.2125.2147.2-97.60000110.6
970H35.3Very low31.2Very low184 Ų184138.4 Ų138.485%0.85284%0.838SS**  trans-81.1147.5176.5-76.3-79.2000111.9
971S36Very low31.2Very low121 Ų121132.9 Ų132.985%0.84683%0.834SS**SBendtrans55.1117.8154.860.20000120
972G31.9Very low31.4Very low74 Ų74133 Ų13376%0.76384%0.836SS**  trans102.8111.9149.400000114.8
973S36.9Very low31.4Very low119 Ų119136.5 Ų136.583%0.83284%0.841SS**  trans0.5140.5163.9-500000118.8
974M30.9Very low31.5Very low187 Ų187139.7 Ų139.792%0.92185%0.849SS**  -173.9146124.9-91.5-87.2-86.400114.5
975F28Very low31.6Very low188 Ų188142.5 Ų142.583%0.82585%0.851SS**  trans-31.7146.4168.9-147.6-105.6000117.7
976C25.2Very low31.8Very low122 Ų122142.8 Ų142.882%0.82485%0.852SS**  trans-138.2127.5162.9-160.60000111
977S25.6Very low31.8Very low96 Ų96139.8 Ų139.867%0.67185%0.853SS**  trans-95.8139.1174.3162.40000109.2
978I27Very low31.4Very low162 Ų162140.9 Ų140.983%0.83185%0.85SS**  trans-102.9124176.8-54.4172.8000107.8
979L28.9Very low30.5Very low234 Ų234147.8 Ų147.8100%1.22587%0.866SS**  trans-88.40162.7-92166.8000109.9

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