A0A087XGI3_POEFO Loading...

NADPH-dependent diflavin oxidoreductase 1

NADPH-dependent reductase which is a central component of the cytosolic iron-sulfur (Fe-S) protein assembly (CIA) machinery. Transfers electrons from NADPH via its FAD and FMN prosthetic groups to the [2Fe-2S] cluster of CIAPIN1, another key component of the CIA machinery. In turn, this reduced cluster provides electrons for assembly of cytosolic iron-sulfur cluster proteins. It can also reduce the [2Fe-2S] cluster of CISD1 and activate this protein implicated in Fe/S cluster repair. In vitro can fully activate methionine synthase/MTR in the presence of soluble cytochrome b5/CYB5A.

AlphaFold DB , UniProt , Accession A0A087XGI3, Species POEFO (Poecilia formosa, Amazon molly), Gene NDOR1, Length 594 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
1M53Low86.4Confident199 Ų19936.3 Ų36.398%0.9823%0.233SC*.  0140.90-76.5-175.9-85.900107.6
2A64.9Low87.1Confident94 Ų9434.3 Ų34.378%0.77722%0.221SC*.PPolyproline II helixtrans-60145.1172.500000109.7
3A71.1Confident87.4Confident49 Ų4937 Ų3741%0.40523%0.229SC..PPolyproline II helixtrans-60.3133.6176.900000110L33 V159 L160A3-L33 HydrophobicContact CB-CD1 4.33Å; A3-V159 HydrophobicContact CB-CG1 3.98Å; A3-L160 HydrophobicContact CB-CD2 3.79Å; A3-L160 HydrophobicContact CB-CG 4.37Å
4P84Confident87.4Confident13 Ų1340.5 Ų40.58%0.08425%0.25CS..PPolyproline II helixtrans-67.7158.1177.532.6-38.8000110L33 S52 L53 Y157P4-L33 WeakPolarHBondContact O-CD1 3.36Å; P4-S52 WeakPolarHBondContact CB-OG 3.18Å; P4-L53 HydrophobicContact CB-CB 4.22Å; P4-L53 HydrophobicContact CG-CB 4.31Å; P4-L53 HydrophobicContact CG-CD2 3.91Å; P4-Y157 HydrophobicContact CB-CE1 4.36Å; P4-Y157 VanDerWaalsContact CD-CD1 3.42Å; P4-Y157 HydrophobicContact CG-CD1 3.97Å; P4-Y157 HydrophobicContact CG-CD2 3.9Å; P4-Y157 HydrophobicContact CG-CE1 3.72Å; P4-Y157 HydrophobicContact CG-CE2 3.65Å; P4-Y157 HydrophobicContact CG-CG 4.05Å
5A91.6Very high87.6Confident32 Ų3238.3 Ų38.326%0.26424%0.239SC..PPolyproline II helixtrans-79.1130.8160.600000108.5K34A5-K34 CarbonylContact C-O 3.54Å; A5-K34 WeakPolarHBondContact CA-O 3.39Å; A5-K34 HydrophobicContact CB-CB 4.43Å; A5-K34 HydrophobicContact CB-CD 4.35Å; A5-K34 HydrophobicContact CB-CG 4.37Å
6L96.1Very high87.9Confident0 Ų038.5 Ų38.50%024%0.24CC..EExtended strand (participates in β ladder)trans-82.4127.8171.2173.962.8000109.6V8 V24 A28 L33 K34 V35 R36 L53 V55 F149 W150L6-V8 HydrophobicContact CD1-CG2 4.43Å; L6-V8 HydrophobicContact CD2-CG2 3.97Å; L6-V8 HydrophobicContact CG-CG2 3.93Å; L6-V24 HydrophobicContact CD2-CG1 4.2Å; L6-A28 HydrophobicContact CD2-CB 3.78Å; L6-L33 HydrophobicContact CB-CD2 3.75Å; L6-L33 HydrophobicContact CB-CG 4.23Å; L6-L33 HydrophobicContact CD2-CD2 4.18Å; L6-K34 PolarHBondContact N-O 2.94Å; L6-V35 HydrophobicContact CB-CB 4.39Å; L6-V35 HydrophobicContact CB-CG2 4.12Å; L6-V35 HydrophobicContact CD2-CG2 4.02Å; L6-V35 HydrophobicContact CG-CG2 4.01Å; L6-V35 CarbonylContact O-C 3.24Å; L6-V35 VanDerWaalsContact O-CA 3.23Å; L6-V35 WeakPolarHBondContact O-CA 3.46Å; L6-R36 PolarHBondContact O-N 2.85Å; L6-L53 HydrophobicContact CB-CD2 4.39Å; L6-L53 HydrophobicContact CD1-CD2 3.98Å; L6-L53 HydrophobicContact CD1-CG 3.78Å; L6-V55 HydrophobicContact CD1-CB 4.49Å; L6-V55 HydrophobicContact CD1-CG2 3.86Å; L6-F149 HydrophobicContact CD1-CZ 4.32Å; L6-W150 HydrophobicContact CD2-CH2 3.91Å
7L97.3Very high88.4Confident0 Ų036.2 Ų36.20%023%0.226CC..EExtended strand (participates in β ladder)trans-105.3125.9167177.466000109.4L9 R36 L38 Y43 E51 L53 V54 V55L7-L9 HydrophobicContact CD1-CD2 3.91Å; L7-L9 HydrophobicContact CD1-CG 4.39Å; L7-L9 HydrophobicContact CD2-CD1 3.97Å; L7-L9 HydrophobicContact CD2-CD2 4.03Å; L7-L9 HydrophobicContact CD2-CG 3.96Å; L7-L9 HydrophobicContact CG-CD1 4.45Å; L7-L9 HydrophobicContact CG-CD2 3.96Å; L7-L9 HydrophobicContact CG-CG 3.91Å; L7-R36 HydrophobicContact CD1-CB 3.89Å; L7-L38 HydrophobicContact CD1-CD1 4.19Å; L7-Y43 HydrophobicContact CD1-CE2 4.44Å; L7-Y43 HydrophobicContact CD2-CD2 4.07Å; L7-Y43 HydrophobicContact CD2-CE1 4.41Å; L7-Y43 HydrophobicContact CD2-CE2 3.46Å; L7-Y43 VanDerWaalsContact CD2-CE2 3.46Å; L7-E51 HydrophobicContact CD2-CG 3.86Å; L7-L53 PolarHBondContact N-O 3.27Å; L7-V54 HydrophobicContact CB-CG2 4.15Å; L7-V54 HydrophobicContact CD2-CG1 4.48Å; L7-V54 HydrophobicContact CD2-CG2 4.16Å; L7-V54 HydrophobicContact CG-CG1 4.47Å; L7-V54 CarbonylContact O-C 3.58Å; L7-V54 VanDerWaalsContact O-CA 3.24Å; L7-V54 WeakPolarHBondContact O-CA 3.29Å; L7-V55 PolarHBondContact O-N 3.3Å
8V98.1Very high88.8Confident0 Ų038.1 Ų38.10%023%0.231CC..EExtended strand (participates in β ladder)trans-110.7115.5173.6-169.20000108.3L6 A21 V24 V35 R36 V37 L38 V55 V57L6-V8 HydrophobicContact CD1-CG2 4.43Å; L6-V8 HydrophobicContact CD2-CG2 3.97Å; L6-V8 HydrophobicContact CG-CG2 3.93Å; V8-A21 HydrophobicContact CG1-CB 3.69Å; V8-V24 HydrophobicContact CG1-CB 4.32Å; V8-V24 HydrophobicContact CG1-CG1 4.41Å; V8-V24 HydrophobicContact CG2-CB 4.28Å; V8-V24 HydrophobicContact CG2-CG1 3.76Å; V8-V35 HydrophobicContact CG2-CG2 3.98Å; V8-R36 PolarHBondContact N-O 2.75Å; V8-V37 HydrophobicContact CB-CB 4.49Å; V8-V37 HydrophobicContact CB-CG1 4.29Å; V8-V37 HydrophobicContact CB-CG2 4.14Å; V8-V37 HydrophobicContact CG2-CG2 4.32Å; V8-V37 WeakPolarHBondContact O-CA 3.25Å; V8-L38 PolarHBondContact O-N 3.21Å; V8-V55 CarbonylContact C-O 3.41Å; V8-V55 WeakPolarHBondContact CA-O 3.43Å; V8-V55 HydrophobicContact CG1-CB 4.31Å; V8-V55 HydrophobicContact CG1-CG1 4.33Å; V8-V55 HydrophobicContact CG2-CB 4.46Å; V8-V57 HydrophobicContact CG1-CG2 4.12Å
9L98.4Very high89.1Confident0 Ų037.3 Ų37.30%023%0.226CC..EExtended strand (participates in β ladder)trans-108.9132.8179.3-64178.3000110.5L7 L38 L40 Y43 L48 V54 V55 F56 V57 F73L7-L9 HydrophobicContact CD1-CD2 3.91Å; L7-L9 HydrophobicContact CD1-CG 4.39Å; L7-L9 HydrophobicContact CD2-CD1 3.97Å; L7-L9 HydrophobicContact CD2-CD2 4.03Å; L7-L9 HydrophobicContact CD2-CG 3.96Å; L7-L9 HydrophobicContact CG-CD1 4.45Å; L7-L9 HydrophobicContact CG-CD2 3.96Å; L7-L9 HydrophobicContact CG-CG 3.91Å; L9-L38 WeakPolarHBondContact CA-O 3.41Å; L9-L38 HydrophobicContact CD2-CB 4Å; L9-L40 HydrophobicContact CB-CD2 3.6Å; L9-L40 HydrophobicContact CB-CG 4.08Å; L9-L40 HydrophobicContact CD1-CD2 3.92Å; L9-L40 HydrophobicContact CG-CD2 4.27Å; L9-Y43 HydrophobicContact CD1-CD1 3.88Å; L9-Y43 HydrophobicContact CD1-CE1 4.21Å; L9-Y43 HydrophobicContact CD1-CG 4.18Å; L9-Y43 HydrophobicContact CD2-CD1 4.29Å; L9-Y43 HydrophobicContact CD2-CD2 4Å; L9-Y43 HydrophobicContact CD2-CG 3.72Å; L9-L48 HydrophobicContact CD1-CD2 4.04Å; L9-V54 HydrophobicContact CD1-CG1 4.11Å; L9-V54 HydrophobicContact CG-CG1 4.26Å; L9-V55 PolarHBondContact N-O 3.14Å; L9-F56 HydrophobicContact CB-CD1 4.03Å; L9-F56 HydrophobicContact CB-CE1 4.22Å; L9-F56 HydrophobicContact CD1-CD1 4.34Å; L9-F56 HydrophobicContact CD1-CE1 3.67Å; L9-F56 HydrophobicContact CD1-CZ 4.33Å; L9-F56 HydrophobicContact CG-CE1 4.5Å; L9-F56 CarbonylContact O-C 3.57Å; L9-F56 WeakPolarHBondContact O-CA 3.23Å; L9-V57 PolarHBondContact O-N 2.97Å; L9-F73 HydrophobicContact CD1-CE2 4.3Å
10F98.2Very high89.5Confident12 Ų1235.8 Ų35.85%0.05322%0.217CC..EExtended strand (participates in β ladder)trans-126140.5-178.168.2-94.4000115.6Q18 A21 V37 L38 P39 L40 V57 N69F10-Q18 HydrophobicContact CD2-CB 3.73Å; F10-Q18 HydrophobicContact CD2-CG 4.24Å; F10-Q18 HydrophobicContact CE1-CG 4.18Å; F10-Q18 HydrophobicContact CE2-CB 3.56Å; F10-Q18 HydrophobicContact CE2-CG 3.65Å; F10-Q18 HydrophobicContact CG-CB 4.35Å; F10-Q18 HydrophobicContact CZ-CB 4.06Å; F10-Q18 HydrophobicContact CZ-CG 3.62Å; F10-A21 HydrophobicContact CB-CB 3.71Å; F10-A21 HydrophobicContact CD1-CB 3.86Å; F10-A21 HydrophobicContact CG-CB 4.07Å; F10-V37 HydrophobicContact CD1-CG1 4.03Å; F10-V37 HydrophobicContact CE1-CG1 4.09Å; F10-L38 VanDerWaalsContact CD1-O 3.23Å; F10-L38 WeakPolarHBondContact CD1-O 3.48Å; F10-L38 PolarHBondContact N-O 3.32Å; F10-L38 VanDerWaalsContact N-O 3.07Å; F10-P39 HydrophobicContact CD2-CB 4.38Å; F10-P39 HydrophobicContact CE1-CB 4.18Å; F10-P39 VanDerWaalsContact CE1-N 3.32Å; F10-P39 HydrophobicContact CE2-CB 3.69Å; F10-P39 HydrophobicContact CZ-CB 3.58Å; F10-P39 HydrophobicContact CZ-CG 4.24Å; F10-L40 PolarHBondContact O-N 2.76Å; F10-V57 CarbonylContact C-O 3.55Å; F10-V57 WeakPolarHBondContact CA-O 3.45Å; F10-V57 HydrophobicContact CB-CB 4.34Å; F10-V57 WeakPolarHBondContact CB-O 3.18Å; F10-N69 PolarHBondContact O-ND2 2.99Å
11G97.9Very high89.8Confident0 Ų034.1 Ų34.10%021%0.206CC..EExtended strand (participates in β ladder)trans-111.4110.516800000109.9A17 V57 S59 N69G11-A17 VanDerWaalsContact O-CB 3.26Å; G11-A17 WeakPolarHBondContact O-CB 3.45Å; G11-V57 PolarHBondContact N-O 2.89Å; G11-S59 PolarHBondContact O-N 2.81Å; G11-S59 PolarHBondContact O-OG 2.8Å; G11-N69 VanDerWaalsContact CA-OD1 3.3Å; G11-N69 WeakPolarHBondContact CA-OD1 3.21Å
12S95.2Very high91.8Very high13 Ų1327.5 Ų27.59%0.09117%0.173CC..  trans-134.6136.4-174.3-150.80000112.3G15 T16 A17 Q18 N69S12-G15 VanDerWaalsContact OG-C 3.23Å; S12-G15 WeakPolarHBondContact OG-CA 3.16Å; S12-G15 PolarHBondContact OG-N 3.35Å; S12-G15 VanDerWaalsContact OG-N 3.07Å; S12-T16 PolarHBondContact OG-N 3.09Å; S12-A17 PolarHBondContact OG-N 2.91Å; S12-Q18 PolarHBondContact OG-N 3.31Å; S12-N69 PolarHBondContact N-OD1 3.41Å; S12-N69 PolarHBondContact O-OD1 3.32Å
13Q90.1Very high93.2Very high69 Ų6923.8 Ų23.832%0.32214%0.139SC..SBendtrans-98.3-33.4174.4-167.364.750.100113T61 P67 D68Q13-T61 HydrophobicContact CB-CG2 3.57Å; Q13-T61 HydrophobicContact CG-CG2 3.87Å; Q13-P67 HydrophobicContact CB-CB 4.44Å; Q13-D68 PolarHBondContact NE2-OD2 3.01Å; Q13-D68 VanDerWaalsContact OE1-N 3.16Å; Q13-D68 PolarHBondContact OE1-OD2 2.84Å
14T87.6Confident94.5Very high86 Ų8621.4 Ų21.453%0.52812%0.12SC..SBendtrans-13117.3-174.856.10000112T16 R307T14-T16 PolarHBondContact O-N 2.91Å; T14-R307 PolarHBondContact O-NH2 3.47Å
15G90.8Very high95Very high8 Ų820.9 Ų20.98%0.08212%0.117CC..SBendtrans84-6.9176.500000115.8S12 Q18 D19 R307S12-G15 VanDerWaalsContact OG-C 3.23Å; S12-G15 WeakPolarHBondContact OG-CA 3.16Å; S12-G15 PolarHBondContact OG-N 3.35Å; S12-G15 VanDerWaalsContact OG-N 3.07Å; G15-Q18 WeakPolarHBondContact O-CB 3.21Å; G15-Q18 PolarHBondContact O-N 2.55Å; G15-D19 PolarHBondContact O-N 3.28Å; G15-R307 PolarHBondContact O-NH1 2.98Å
16T92.6Very high95.1Very high41 Ų4121 Ų2125%0.25211%0.11SC..Hα-helixtrans-63.3-49.1-177.1-46.80000111.6S12 T14 Q18 D19 T20 L97 R307S12-T16 PolarHBondContact OG-N 3.09Å; T14-T16 PolarHBondContact O-N 2.91Å; T16-Q18 VanDerWaalsContact C-N 3.25Å; T16-Q18 PolarHBondContact O-N 3.3Å; T16-D19 PolarHBondContact O-N 2.67Å; T16-T20 PolarHBondContact O-N 3.05Å; T16-T20 PolarHBondContact O-OG1 3.21Å; T16-L97 HydrophobicContact CG2-CD2 3.46Å; T16-L97 VanDerWaalsContact CG2-CD2 3.46Å; T16-R307 VanDerWaalsContact CA-CZ 3.42Å; T16-R307 VanDerWaalsContact N-NH2 3.13Å; T16-R307 PolarHBondContact OG1-NH2 3.47Å; T16-R307 VanDerWaalsContact OG1-NH2 3.16Å
17A96.3Very high94.9Very high0 Ų022.9 Ų22.90%012%0.119CC..Hα-helixtrans-62.9-30.9174.800000113.1G11 S12 A21 V57 L97G11-A17 VanDerWaalsContact O-CB 3.26Å; G11-A17 WeakPolarHBondContact O-CB 3.45Å; S12-A17 PolarHBondContact OG-N 2.91Å; A17-A21 VanDerWaalsContact O-CB 3.29Å; A17-A21 WeakPolarHBondContact O-CB 3.38Å; A17-A21 PolarHBondContact O-N 2.86Å; A17-V57 HydrophobicContact CB-CG1 4.09Å; A17-V57 WeakPolarHBondContact O-CG1 3.44Å; A17-L97 HydrophobicContact CB-CD1 3.93Å
18Q95.4Very high94.8Very high69 Ų6922.9 Ų22.932%0.32212%0.119SC..Hα-helixtrans-66.8-48176173.7179.4-1.900110.7F10 S12 G15 T16 T20 A21 Q22F10-Q18 HydrophobicContact CD2-CB 3.73Å; F10-Q18 HydrophobicContact CD2-CG 4.24Å; F10-Q18 HydrophobicContact CE1-CG 4.18Å; F10-Q18 HydrophobicContact CE2-CB 3.56Å; F10-Q18 HydrophobicContact CE2-CG 3.65Å; F10-Q18 HydrophobicContact CG-CB 4.35Å; F10-Q18 HydrophobicContact CZ-CB 4.06Å; F10-Q18 HydrophobicContact CZ-CG 3.62Å; S12-Q18 PolarHBondContact OG-N 3.31Å; G15-Q18 WeakPolarHBondContact O-CB 3.21Å; G15-Q18 PolarHBondContact O-N 2.55Å; T16-Q18 VanDerWaalsContact C-N 3.25Å; T16-Q18 PolarHBondContact O-N 3.3Å; Q18-T20 PolarHBondContact O-N 3.49Å; Q18-A21 WeakPolarHBondContact O-CB 3.2Å; Q18-A21 PolarHBondContact O-N 2.77Å; Q18-A21 VanDerWaalsContact O-N 3.15Å; Q18-Q22 WeakPolarHBondContact O-CG 3.27Å; Q18-Q22 PolarHBondContact O-N 2.83Å
19D94.9Very high94.5Very high24 Ų2426.7 Ų26.713%0.12814%0.137CC..Hα-helixtrans-61.5-43177.8175.464.4000112.2G15 T16 A21 Q22 R23 R307 S309G15-D19 PolarHBondContact O-N 3.28Å; T16-D19 PolarHBondContact O-N 2.67Å; D19-A21 VanDerWaalsContact C-N 3.35Å; D19-A21 PolarHBondContact O-N 3.33Å; D19-Q22 PolarHBondContact O-N 3.08Å; D19-R23 PolarHBondContact O-N 3.22Å; D19-R307 VanDerWaalsContact OD2-CD 3.22Å; D19-R307 WeakPolarHBondContact OD2-CD 3.49Å; D19-S309 WeakPolarHBondContact OD1-CB 3.33Å; D19-S309 PolarHBondContact OD1-OG 2.85Å; D19-S309 PolarHBondContact OD2-OG 2.86Å
20T96.4Very high94.2Very high7 Ų728.2 Ų28.24%0.04314%0.142CC..Hα-helixtrans-61.9-41.1173-55.20000111.9T16 Q18 R23 V24 V57 L95 I142T16-T20 PolarHBondContact O-N 3.05Å; T16-T20 PolarHBondContact O-OG1 3.21Å; Q18-T20 PolarHBondContact O-N 3.49Å; T20-R23 WeakPolarHBondContact O-CB 3.46Å; T20-R23 PolarHBondContact O-N 2.95Å; T20-V24 WeakPolarHBondContact O-CG2 3.33Å; T20-V24 PolarHBondContact O-N 3.14Å; T20-V57 HydrophobicContact CG2-CG1 3.97Å; T20-L95 HydrophobicContact CG2-CD2 3.6Å; T20-I142 HydrophobicContact CG2-CD1 3.99Å; T20-I142 HydrophobicContact CG2-CG2 4.08Å
21A97.2Very high93.8Very high0 Ų031.1 Ų31.10%015%0.153CC..Hα-helixtrans-64.7-39.8175.500000112.5V8 F10 A17 Q18 D19 R23 V24 G25 V37 V57V8-A21 HydrophobicContact CG1-CB 3.69Å; F10-A21 HydrophobicContact CB-CB 3.71Å; F10-A21 HydrophobicContact CD1-CB 3.86Å; F10-A21 HydrophobicContact CG-CB 4.07Å; A17-A21 VanDerWaalsContact O-CB 3.29Å; A17-A21 WeakPolarHBondContact O-CB 3.38Å; A17-A21 PolarHBondContact O-N 2.86Å; Q18-A21 WeakPolarHBondContact O-CB 3.2Å; Q18-A21 PolarHBondContact O-N 2.77Å; Q18-A21 VanDerWaalsContact O-N 3.15Å; D19-A21 VanDerWaalsContact C-N 3.35Å; D19-A21 PolarHBondContact O-N 3.33Å; A21-R23 VanDerWaalsContact C-N 3.31Å; A21-R23 PolarHBondContact O-N 3.39Å; A21-V24 WeakPolarHBondContact O-CB 3.43Å; A21-V24 PolarHBondContact O-N 2.79Å; A21-G25 PolarHBondContact O-N 2.94Å; A21-V37 HydrophobicContact CB-CG1 4.01Å; A21-V57 HydrophobicContact CB-CB 4.11Å; A21-V57 HydrophobicContact CB-CG2 4Å
22Q94.8Very high93.4Very high61 Ų6138.3 Ų38.329%0.28518%0.18SC..Hα-helixtrans-64.2-36.3173.2-71.3168.2-32.100111.2Q18 D19 G25 R26 V37Q18-Q22 WeakPolarHBondContact O-CG 3.27Å; Q18-Q22 PolarHBondContact O-N 2.83Å; D19-Q22 PolarHBondContact O-N 3.08Å; Q22-G25 CarbonylContact O-C 3.55Å; Q22-G25 WeakPolarHBondContact O-CA 3.46Å; Q22-G25 PolarHBondContact O-N 3.07Å; Q22-G25 VanDerWaalsContact O-N 3.16Å; Q22-R26 WeakPolarHBondContact O-CG 3.32Å; Q22-R26 PolarHBondContact O-N 2.88Å; Q22-V37 HydrophobicContact CG-CG1 4.42Å
23R94.4Very high93.3Very high15 Ų1538 Ų386%0.05718%0.177CC..Hα-helixtrans-60.9-43.9172.1-170178-177-139-15.6112D19 T20 A21 G25 R26 Q27 D139 D143 E312D19-R23 PolarHBondContact O-N 3.22Å; T20-R23 WeakPolarHBondContact O-CB 3.46Å; T20-R23 PolarHBondContact O-N 2.95Å; A21-R23 VanDerWaalsContact C-N 3.31Å; A21-R23 PolarHBondContact O-N 3.39Å; R23-G25 VanDerWaalsContact C-N 3.31Å; R23-G25 PolarHBondContact O-N 3.07Å; R23-R26 PolarHBondContact O-N 3.48Å; R23-Q27 WeakPolarHBondContact O-CG 3.42Å; R23-Q27 PolarHBondContact O-N 3.31Å; R23-D139 IonicContact NH1-OD1 3.61Å; R23-D139 PolarHBondContact NH1-OD1 3.19Å; R23-D143 IonicContact CZ-OD1 3.39Å; R23-D143 VanDerWaalsContact CZ-OD1 3.28Å; R23-D143 IonicContact NH1-OD1 3.82Å; R23-D143 PolarHBondContact NH1-OD1 3.24Å; R23-D143 IonicContact NH2-OD1 2.74Å; R23-D143 PolarHBondContact NH2-OD1 3.09Å; R23-E312 IonicContact CZ-OE1 3.54Å; R23-E312 IonicContact NE-OE1 3.65Å; R23-E312 PolarHBondContact NE-OE1 2.82Å; R23-E312 IonicContact NE-OE2 2.7Å; R23-E312 IonicContact NH2-OE1 2.7Å
24V96.6Very high93.3Very high0 Ų042 Ų420%019%0.194CC..Hα-helixtrans-59-45171.9179.70000110.5L6 V8 T20 A21 Q27 A28 V55 L146 W150L6-V24 HydrophobicContact CD2-CG1 4.2Å; V8-V24 HydrophobicContact CG1-CB 4.32Å; V8-V24 HydrophobicContact CG1-CG1 4.41Å; V8-V24 HydrophobicContact CG2-CB 4.28Å; V8-V24 HydrophobicContact CG2-CG1 3.76Å; T20-V24 WeakPolarHBondContact O-CG2 3.33Å; T20-V24 PolarHBondContact O-N 3.14Å; A21-V24 WeakPolarHBondContact O-CB 3.43Å; A21-V24 PolarHBondContact O-N 2.79Å; V24-Q27 PolarHBondContact O-N 3.06Å; V24-A28 PolarHBondContact O-N 3.38Å; V24-V55 HydrophobicContact CG1-CG1 4.47Å; V24-L146 HydrophobicContact CG2-CD2 3.7Å; V24-W150 HydrophobicContact CG1-CZ2 4.45Å
25G95Very high93.6Very high2 Ų239.3 Ų39.32%0.02118%0.177CC..Hα-helixtrans-57.1-48.817600000113.2A21 Q22 R23 Q27 A28 Q29A21-G25 PolarHBondContact O-N 2.94Å; Q22-G25 CarbonylContact O-C 3.55Å; Q22-G25 WeakPolarHBondContact O-CA 3.46Å; Q22-G25 PolarHBondContact O-N 3.07Å; Q22-G25 VanDerWaalsContact O-N 3.16Å; R23-G25 VanDerWaalsContact C-N 3.31Å; R23-G25 PolarHBondContact O-N 3.07Å; G25-Q27 PolarHBondContact O-N 2.8Å; G25-A28 WeakPolarHBondContact O-CB 3.43Å; G25-A28 PolarHBondContact O-N 2.98Å; G25-A28 VanDerWaalsContact O-N 3.16Å; G25-Q29 WeakPolarHBondContact O-CG 3.37Å; G25-Q29 PolarHBondContact O-N 3.47Å
26R93.2Very high93.8Very high34 Ų3443 Ų4313%0.12819%0.189CC..Hα-helixtrans-60.7-43176.3-69.3-170.4-58.5-87.82.3111.8Q22 R23 A28 Q29 R30 L172 E312Q22-R26 WeakPolarHBondContact O-CG 3.32Å; Q22-R26 PolarHBondContact O-N 2.88Å; R23-R26 PolarHBondContact O-N 3.48Å; R26-A28 VanDerWaalsContact C-N 3.27Å; R26-A28 PolarHBondContact O-N 3.01Å; R26-Q29 PolarHBondContact O-N 3.23Å; R26-R30 WeakPolarHBondContact O-CG 3.28Å; R26-R30 PolarHBondContact O-N 3.25Å; R26-L172 HydrophobicContact CB-CD1 3.63Å; R26-L172 HydrophobicContact CG-CD1 3.7Å; R26-E312 IonicContact NH2-OE2 3.97Å; R26-E312 PolarHBondContact NH2-OE2 2.9Å
27Q93.9Very high93.9Very high39 Ų3943.2 Ų43.218%0.18219%0.19CC..Hα-helixtrans-63.4-32.9176.4-74-175.70.800112.9R23 V24 G25 R31 W150R23-Q27 WeakPolarHBondContact O-CG 3.42Å; R23-Q27 PolarHBondContact O-N 3.31Å; V24-Q27 PolarHBondContact O-N 3.06Å; G25-Q27 PolarHBondContact O-N 2.8Å; Q27-R31 WeakPolarHBondContact O-CD 3.47Å; Q27-R31 WeakPolarHBondContact O-CG 3.44Å; Q27-R31 PolarHBondContact O-N 3.35Å; Q27-R31 PolarHBondContact O-NH1 2.93Å; Q27-W150 HydrophobicContact CB-CZ2 3.74Å
28A93.9Very high93.8Very high0 Ų045.4 Ų45.40%020%0.201CC..Hα-helixtrans-68.7-47172.800000111.7L6 V24 G25 R26 R30 R31 R32 L33 V35 W150L6-A28 HydrophobicContact CD2-CB 3.78Å; V24-A28 PolarHBondContact O-N 3.38Å; G25-A28 WeakPolarHBondContact O-CB 3.43Å; G25-A28 PolarHBondContact O-N 2.98Å; G25-A28 VanDerWaalsContact O-N 3.16Å; R26-A28 VanDerWaalsContact C-N 3.27Å; R26-A28 PolarHBondContact O-N 3.01Å; A28-R30 VanDerWaalsContact C-N 3.32Å; A28-R30 PolarHBondContact O-N 2.95Å; A28-R31 CarbonylContact O-C 3.59Å; A28-R31 WeakPolarHBondContact O-CA 3.34Å; A28-R31 PolarHBondContact O-N 3.45Å; A28-R32 PolarHBondContact O-N 3.28Å; A28-L33 HydrophobicContact CB-CB 4.23Å; A28-L33 HydrophobicContact CB-CD2 4.31Å; A28-L33 WeakPolarHBondContact O-CB 3.47Å; A28-L33 PolarHBondContact O-N 3.15Å; A28-V35 HydrophobicContact CB-CB 3.82Å; A28-V35 HydrophobicContact CB-CG1 4.03Å; A28-V35 HydrophobicContact CB-CG2 4.02Å; A28-W150 HydrophobicContact CB-CH2 3.68Å; A28-W150 HydrophobicContact CB-CZ2 4.27Å
29Q92.1Very high93.8Very high80 Ų8044 Ų4437%0.37420%0.198SC..Hα-helixtrans-59-42.6176.3-71.8173.5-32.400111.7G25 R26 R31 R32 V35 L172G25-Q29 WeakPolarHBondContact O-CG 3.37Å; G25-Q29 PolarHBondContact O-N 3.47Å; R26-Q29 PolarHBondContact O-N 3.23Å; Q29-R31 PolarHBondContact O-N 3.39Å; Q29-R32 WeakPolarHBondContact O-CA 3.5Å; Q29-R32 PolarHBondContact O-N 3.31Å; Q29-V35 HydrophobicContact CG-CG1 3.69Å; Q29-L172 HydrophobicContact CB-CD1 4.39Å; Q29-L172 HydrophobicContact CB-CD2 4.13Å
30R91.4Very high93.9Very high33 Ų3342.9 Ų42.913%0.12519%0.192CC..Hα-helixtrans-58.7-35.5173.8-71.9-160.1179.4-60.4-0.5112.6R26 A28 R32 P165 L166 R167 D168 E170 L172R26-R30 WeakPolarHBondContact O-CG 3.28Å; R26-R30 PolarHBondContact O-N 3.25Å; A28-R30 VanDerWaalsContact C-N 3.32Å; A28-R30 PolarHBondContact O-N 2.95Å; R30-R32 PolarHBondContact O-N 3.39Å; R30-P165 CarbonylContact O-C 3.52Å; R30-P165 VanDerWaalsContact O-CA 3.23Å; R30-P165 WeakPolarHBondContact O-CA 3.05Å; R30-P165 WeakPolarHBondContact O-CB 3.31Å; R30-L166 HydrophobicContact CB-CB 4.45Å; R30-L166 HydrophobicContact CG-CB 4.49Å; R30-L166 PolarHBondContact O-N 3.12Å; R30-R167 PolarHBondContact NH1-O 3.48Å; R30-D168 VanDerWaalsContact CZ-O 3.26Å; R30-D168 PolarHBondContact NH2-O 2.96Å; R30-E170 VanDerWaalsContact CZ-O 3.29Å; R30-E170 PolarHBondContact NH1-O 2.95Å; R30-E170 PolarHBondContact NH2-O 3.3Å; R30-L172 HydrophobicContact CG-CD1 4.38Å; R30-L172 HydrophobicContact CG-CD2 4.21Å
31R91.2Very high93.8Very high73 Ų7347 Ų4728%0.27521%0.214SC..THydrogen-bonded Turntrans-83.510.7174.9-68.9165.3176.967.24.3113.4Q27 A28 Q29 L33Q27-R31 WeakPolarHBondContact O-CD 3.47Å; Q27-R31 WeakPolarHBondContact O-CG 3.44Å; Q27-R31 PolarHBondContact O-N 3.35Å; Q27-R31 PolarHBondContact O-NH1 2.93Å; A28-R31 CarbonylContact O-C 3.59Å; A28-R31 WeakPolarHBondContact O-CA 3.34Å; A28-R31 PolarHBondContact O-N 3.45Å; Q29-R31 PolarHBondContact O-N 3.39Å; R31-L33 PolarHBondContact O-N 3.49Å; R31-L33 VanDerWaalsContact O-N 3.08Å
32R89.6Confident93.5Very high150 Ų15049.6 Ų49.657%0.56624%0.241SC*.THydrogen-bonded Turntrans53.326.5-175.5-51.4-165.3-171.8-99.91.8113.9A28 Q29 R30 V163 E164 L166A28-R32 PolarHBondContact O-N 3.28Å; Q29-R32 WeakPolarHBondContact O-CA 3.5Å; Q29-R32 PolarHBondContact O-N 3.31Å; R30-R32 PolarHBondContact O-N 3.39Å; R32-V163 HydrophobicContact CB-CG1 3.96Å; R32-V163 VanDerWaalsContact CD-CG1 3.48Å; R32-V163 HydrophobicContact CG-CG1 3.99Å; R32-E164 PolarHBondContact NE-O 3.28Å; R32-L166 VanDerWaalsContact NH2-CD2 3.3Å
33L91.3Very high93.5Very high6 Ų647.7 Ų47.73%0.03123%0.231CC..  trans-84.4127.7175-175.465.4000109.2A3 P4 L6 A28 R31 V35 W150 L160A3-L33 HydrophobicContact CB-CD1 4.33Å; P4-L33 WeakPolarHBondContact O-CD1 3.36Å; L6-L33 HydrophobicContact CB-CD2 3.75Å; L6-L33 HydrophobicContact CB-CG 4.23Å; L6-L33 HydrophobicContact CD2-CD2 4.18Å; A28-L33 HydrophobicContact CB-CB 4.23Å; A28-L33 HydrophobicContact CB-CD2 4.31Å; A28-L33 WeakPolarHBondContact O-CB 3.47Å; A28-L33 PolarHBondContact O-N 3.15Å; R31-L33 PolarHBondContact O-N 3.49Å; R31-L33 VanDerWaalsContact O-N 3.08Å; L33-V35 PolarHBondContact O-N 3.45Å; L33-W150 HydrophobicContact CD2-CH2 4.22Å; L33-W150 HydrophobicContact CD2-CZ3 3.93Å; L33-L160 HydrophobicContact CB-CD2 4.5Å; L33-L160 HydrophobicContact CD1-CD1 3.93Å; L33-L160 HydrophobicContact CD1-CD2 3.83Å
34K91.7Very high93.5Very high154 Ų15451.1 Ų51.167%0.6725%0.25SS*.  trans-60.9125.4173.5-175.1176.6-177.9178.20108.7A5 L6A5-K34 CarbonylContact C-O 3.54Å; A5-K34 WeakPolarHBondContact CA-O 3.39Å; A5-K34 HydrophobicContact CB-CB 4.43Å; A5-K34 HydrophobicContact CB-CD 4.35Å; A5-K34 HydrophobicContact CB-CG 4.37Å; L6-K34 PolarHBondContact N-O 2.94Å
35V93.6Very high93.4Very high29 Ų2951.9 Ų51.918%0.17626%0.255CS..EExtended strand (participates in β ladder)trans-135.1145.3-175.965.50000112.3L6 V8 A28 Q29 L33 V37L6-V35 HydrophobicContact CB-CB 4.39Å; L6-V35 HydrophobicContact CB-CG2 4.12Å; L6-V35 HydrophobicContact CD2-CG2 4.02Å; L6-V35 HydrophobicContact CG-CG2 4.01Å; L6-V35 CarbonylContact O-C 3.24Å; L6-V35 VanDerWaalsContact O-CA 3.23Å; L6-V35 WeakPolarHBondContact O-CA 3.46Å; V8-V35 HydrophobicContact CG2-CG2 3.98Å; A28-V35 HydrophobicContact CB-CB 3.82Å; A28-V35 HydrophobicContact CB-CG1 4.03Å; A28-V35 HydrophobicContact CB-CG2 4.02Å; Q29-V35 HydrophobicContact CG-CG1 3.69Å; L33-V35 PolarHBondContact O-N 3.45Å; V35-V37 HydrophobicContact CG2-CG2 4.22Å
36R94.4Very high93.4Very high86 Ų8653.7 Ų53.733%0.32527%0.27SS..EExtended strand (participates in β ladder)trans-123.4132.7166.7-65.9176.9-64.6166.53108.6L6 L7 V8 E51L6-R36 PolarHBondContact O-N 2.85Å; L7-R36 HydrophobicContact CD1-CB 3.89Å; V8-R36 PolarHBondContact N-O 2.75Å; R36-E51 IonicContact CZ-OE1 3.47Å; R36-E51 IonicContact NH1-OE1 2.68Å; R36-E51 IonicContact NH2-OE1 3.69Å; R36-E51 PolarHBondContact NH2-OE1 3.37Å; R36-E51 IonicContact NH2-OE2 3.83Å; R36-E51 PolarHBondContact NH2-OE2 2.81Å
37V94.7Very high93.5Very high45 Ų4555.6 Ų55.627%0.27328%0.282SS..EExtended strand (participates in β ladder)trans-117.7114.8175.8-173.30000107.9V8 F10 A21 Q22 V35V8-V37 HydrophobicContact CB-CB 4.49Å; V8-V37 HydrophobicContact CB-CG1 4.29Å; V8-V37 HydrophobicContact CB-CG2 4.14Å; V8-V37 HydrophobicContact CG2-CG2 4.32Å; V8-V37 WeakPolarHBondContact O-CA 3.25Å; F10-V37 HydrophobicContact CD1-CG1 4.03Å; F10-V37 HydrophobicContact CE1-CG1 4.09Å; A21-V37 HydrophobicContact CB-CG1 4.01Å; Q22-V37 HydrophobicContact CG-CG1 4.42Å; V35-V37 HydrophobicContact CG2-CG2 4.22Å
38L94.9Very high93.5Very high46 Ų4653.8 Ų53.824%0.24127%0.274CS..EExtended strand (participates in β ladder)trans-134.1144.3-172.9-63.9173000111.6L7 V8 L9 F10 Y43L7-L38 HydrophobicContact CD1-CD1 4.19Å; V8-L38 PolarHBondContact O-N 3.21Å; L9-L38 WeakPolarHBondContact CA-O 3.41Å; L9-L38 HydrophobicContact CD2-CB 4Å; F10-L38 VanDerWaalsContact CD1-O 3.23Å; F10-L38 WeakPolarHBondContact CD1-O 3.48Å; F10-L38 PolarHBondContact N-O 3.32Å; F10-L38 VanDerWaalsContact N-O 3.07Å; L38-Y43 HydrophobicContact CD1-CD2 4.08Å
39P95.1Very high93.6Very high40 Ų4059.2 Ų59.226%0.2630%0.302SS..EExtended strand (participates in β ladder)trans-67.8150.2167.932.4-35.6000109.7F10 D41 G42 Y43F10-P39 HydrophobicContact CD2-CB 4.38Å; F10-P39 HydrophobicContact CE1-CB 4.18Å; F10-P39 VanDerWaalsContact CE1-N 3.32Å; F10-P39 HydrophobicContact CE2-CB 3.69Å; F10-P39 HydrophobicContact CZ-CB 3.58Å; F10-P39 HydrophobicContact CZ-CG 4.24Å; P39-D41 WeakPolarHBondContact CB-OD1 3.48Å; P39-D41 PolarHBondContact O-N 2.82Å; P39-G42 PolarHBondContact O-N 3.42Å; P39-Y43 PolarHBondContact O-N 3.43Å
40L96.3Very high93.6Very high1 Ų159.8 Ų59.81%0.00532%0.315CS..THydrogen-bonded Turntrans-65-22.7-175.4-80.9164000114.4L9 F10 F56 N69 M70 F73L9-L40 HydrophobicContact CB-CD2 3.6Å; L9-L40 HydrophobicContact CB-CG 4.08Å; L9-L40 HydrophobicContact CD1-CD2 3.92Å; L9-L40 HydrophobicContact CG-CD2 4.27Å; F10-L40 PolarHBondContact O-N 2.76Å; L40-F56 HydrophobicContact CD2-CD1 4.31Å; L40-F56 HydrophobicContact CD2-CE1 4.33Å; L40-N69 CarbonylContact C-O 3.5Å; L40-N69 WeakPolarHBondContact CB-O 3.36Å; L40-M70 HydrophobicContact CB-CB 4.32Å; L40-M70 HydrophobicContact CB-CG 4.48Å; L40-M70 HydrophobicContact CD1-CB 3.95Å; L40-M70 HydrophobicContact CD1-CE 3.8Å; L40-M70 HydrophobicContact CD1-CG 3.57Å; L40-M70 HydrophobicContact CD1-SD 3.8Å; L40-F73 HydrophobicContact CB-CB 4.18Å; L40-F73 HydrophobicContact CB-CG 4.32Å; L40-F73 HydrophobicContact CD2-CB 4.4Å; L40-F73 HydrophobicContact CD2-CD1 3.77Å; L40-F73 HydrophobicContact CD2-CD2 3.56Å; L40-F73 HydrophobicContact CD2-CE1 3.82Å; L40-F73 HydrophobicContact CD2-CE2 3.6Å; L40-F73 HydrophobicContact CD2-CG 3.65Å; L40-F73 HydrophobicContact CD2-CZ 3.74Å
41D93.8Very high93.8Very high94 Ų9459.2 Ų59.250%0.50331%0.313SS..THydrogen-bonded Turntrans-87.9-13.3173.759.5-7.6000113.7P39 N69P39-D41 WeakPolarHBondContact CB-OD1 3.48Å; P39-D41 PolarHBondContact O-N 2.82Å; D41-N69 WeakPolarHBondContact CB-O 3.3Å; D41-N69 PolarHBondContact N-O 3.26Å; D41-N69 WeakPolarHBondContact OD2-CA 3.36Å; D41-N69 WeakPolarHBondContact OD2-CB 3.39Å
42G91.2Very high93.9Very high54 Ų5457.9 Ų57.956%0.55732%0.315SS*.SBendtrans-88.8-1.6169.100000113.8P39P39-G42 PolarHBondContact O-N 3.42Å
43Y94.7Very high94.3Very high20 Ų2050.8 Ų50.88%0.07829%0.289CS..SBendtrans-114.4132.4-178.7-175.7-95.8000112L7 L9 L38 P39 V45 D47 L48 E51 F73L7-Y43 HydrophobicContact CD1-CE2 4.44Å; L7-Y43 HydrophobicContact CD2-CD2 4.07Å; L7-Y43 HydrophobicContact CD2-CE1 4.41Å; L7-Y43 HydrophobicContact CD2-CE2 3.46Å; L7-Y43 VanDerWaalsContact CD2-CE2 3.46Å; L9-Y43 HydrophobicContact CD1-CD1 3.88Å; L9-Y43 HydrophobicContact CD1-CE1 4.21Å; L9-Y43 HydrophobicContact CD1-CG 4.18Å; L9-Y43 HydrophobicContact CD2-CD1 4.29Å; L9-Y43 HydrophobicContact CD2-CD2 4Å; L9-Y43 HydrophobicContact CD2-CG 3.72Å; L38-Y43 HydrophobicContact CD1-CD2 4.08Å; P39-Y43 PolarHBondContact O-N 3.43Å; Y43-V45 PolarHBondContact O-N 2.61Å; Y43-D47 WeakPolarHBondContact OH-CB 3.29Å; Y43-D47 PolarHBondContact OH-O 2.83Å; Y43-L48 HydrophobicContact CE1-CD2 3.75Å; Y43-L48 HydrophobicContact CE1-CG 3.85Å; Y43-L48 PolarHBondContact OH-N 3.19Å; Y43-E51 WeakPolarHBondContact OH-CG 3.35Å; Y43-E51 PolarHBondContact OH-OE1 2.83Å; Y43-F73 HydrophobicContact CD1-CE2 4.47Å
44N95.1Very high94.6Very high88 Ų8850.5 Ų50.547%0.47129%0.287SS..  trans-78103.6173.4174.122.7000110.3A46 D47N44-A46 PolarHBondContact O-N 3.39Å; N44-A46 PolarHBondContact OD1-N 3.48Å; N44-D47 WeakPolarHBondContact CB-OD2 3.04Å; N44-D47 VanDerWaalsContact ND2-CG 3.35Å; N44-D47 PolarHBondContact ND2-OD1 3.36Å; N44-D47 VanDerWaalsContact ND2-OD1 3.11Å; N44-D47 PolarHBondContact ND2-OD2 2.78Å; N44-D47 VanDerWaalsContact ND2-OD2 3.11Å; N44-D47 WeakPolarHBondContact O-CB 2.99Å; N44-D47 PolarHBondContact O-N 3.28Å
45V94.9Very high94.9Very high16 Ų1643.1 Ų43.110%0.09726%0.255CS..G310 helixtrans-52.4-25.4-179.463.70000114.9Y43 D47 L48 F73 F76Y43-V45 PolarHBondContact O-N 2.61Å; V45-D47 PolarHBondContact O-N 2.95Å; V45-L48 HydrophobicContact CG2-CD1 3.95Å; V45-L48 WeakPolarHBondContact O-CB 3.24Å; V45-L48 WeakPolarHBondContact O-CG 3.22Å; V45-L48 PolarHBondContact O-N 3.03Å; V45-F73 HydrophobicContact CB-CD2 3.7Å; V45-F73 HydrophobicContact CB-CE2 3.94Å; V45-F73 HydrophobicContact CG2-CD2 3.69Å; V45-F73 HydrophobicContact CG2-CE2 3.59Å; V45-F73 HydrophobicContact CG2-CG 4.33Å; V45-F73 HydrophobicContact CG2-CZ 4.15Å; V45-F76 HydrophobicContact CB-CD1 4.01Å; V45-F76 HydrophobicContact CB-CE1 4.42Å; V45-F76 HydrophobicContact CB-CG 4.4Å; V45-F76 HydrophobicContact CG1-CB 3.78Å; V45-F76 HydrophobicContact CG1-CD1 3.26Å; V45-F76 HydrophobicContact CG1-CD2 3.75Å; V45-F76 HydrophobicContact CG1-CE1 3.65Å; V45-F76 HydrophobicContact CG1-CE2 4.1Å; V45-F76 HydrophobicContact CG1-CG 3.32Å; V45-F76 HydrophobicContact CG1-CZ 4.05Å; V45-F76 HydrophobicContact CG2-CB 4.5Å; V45-F76 HydrophobicContact CG2-CD1 3.5Å; V45-F76 VanDerWaalsContact CG2-CD1 3.5Å; V45-F76 HydrophobicContact CG2-CE1 4Å; V45-F76 HydrophobicContact CG2-CG 4.25Å
46A93.8Very high95.2Very high40 Ų4041.8 Ų41.833%0.33125%0.247SC..G310 helixtrans-65.2-28176.300000112.4N44 L48 I49N44-A46 PolarHBondContact O-N 3.39Å; N44-A46 PolarHBondContact OD1-N 3.48Å; A46-L48 PolarHBondContact O-N 2.89Å; A46-I49 WeakPolarHBondContact O-CG1 3.45Å
47D95.1Very high95.4Very high73 Ų7337.7 Ų37.739%0.3923%0.231SC..G310 helixtrans-77.3-9.1-177.8-56.6-21.9000111.8Y43 N44 V45 I49 S50Y43-D47 WeakPolarHBondContact OH-CB 3.29Å; Y43-D47 PolarHBondContact OH-O 2.83Å; N44-D47 WeakPolarHBondContact CB-OD2 3.04Å; N44-D47 VanDerWaalsContact ND2-CG 3.35Å; N44-D47 PolarHBondContact ND2-OD1 3.36Å; N44-D47 VanDerWaalsContact ND2-OD1 3.11Å; N44-D47 PolarHBondContact ND2-OD2 2.78Å; N44-D47 VanDerWaalsContact ND2-OD2 3.11Å; N44-D47 WeakPolarHBondContact O-CB 2.99Å; N44-D47 PolarHBondContact O-N 3.28Å; V45-D47 PolarHBondContact O-N 2.95Å; D47-I49 PolarHBondContact O-N 2.74Å; D47-I49 VanDerWaalsContact O-N 3.08Å; D47-S50 PolarHBondContact O-N 3.24Å; D47-S50 PolarHBondContact O-OG 3.22Å
48L95.1Very high95.5Very high2 Ų235.5 Ų35.51%0.0122%0.218CC..G310 helixtrans-55.5-28174.9-77.1179.7000113.3L9 Y43 V45 A46 S50 E51 V54 F56 F73 L77 L87L9-L48 HydrophobicContact CD1-CD2 4.04Å; Y43-L48 HydrophobicContact CE1-CD2 3.75Å; Y43-L48 HydrophobicContact CE1-CG 3.85Å; Y43-L48 PolarHBondContact OH-N 3.19Å; V45-L48 HydrophobicContact CG2-CD1 3.95Å; V45-L48 WeakPolarHBondContact O-CB 3.24Å; V45-L48 WeakPolarHBondContact O-CG 3.22Å; V45-L48 PolarHBondContact O-N 3.03Å; A46-L48 PolarHBondContact O-N 2.89Å; L48-S50 PolarHBondContact O-N 2.69Å; L48-E51 PolarHBondContact O-N 2.8Å; L48-V54 HydrophobicContact CD2-CG2 4.46Å; L48-F56 HydrophobicContact CD2-CZ 4.11Å; L48-F73 HydrophobicContact CD1-CE2 3.82Å; L48-F73 HydrophobicContact CD1-CZ 3.71Å; L48-F73 HydrophobicContact CG-CE2 4.39Å; L48-L77 HydrophobicContact CD1-CD1 4.26Å; L48-L87 HydrophobicContact CB-CD2 3.74Å
49I94.9Very high95.6Very high113 Ų11334 Ų3458%0.57921%0.212SC*.G310 helixtrans-66.4-21.1-179.369.9-177.7000112.5A46 D47 S86 L87A46-I49 WeakPolarHBondContact O-CG1 3.45Å; D47-I49 PolarHBondContact O-N 2.74Å; D47-I49 VanDerWaalsContact O-N 3.08Å; I49-S86 WeakPolarHBondContact CG2-O 3.49Å; I49-L87 HydrophobicContact CG2-CD2 4.31Å
50S93.8Very high95.6Very high92 Ų9233.6 Ų33.664%0.64321%0.209SC*.G310 helixtrans-101.6-1178.454.70000113.7D47 L48D47-S50 PolarHBondContact O-N 3.24Å; D47-S50 PolarHBondContact O-OG 3.22Å; L48-S50 PolarHBondContact O-N 2.69Å
51E94.9Very high95.2Very high21 Ų2134.9 Ų34.910%0.09822%0.216CC..  trans-87.5135.8176.9-60.1-64.3160.200110.9L7 R36 Y43 L48 V54 L90L7-E51 HydrophobicContact CD2-CG 3.86Å; R36-E51 IonicContact CZ-OE1 3.47Å; R36-E51 IonicContact NH1-OE1 2.68Å; R36-E51 IonicContact NH2-OE1 3.69Å; R36-E51 PolarHBondContact NH2-OE1 3.37Å; R36-E51 IonicContact NH2-OE2 3.83Å; R36-E51 PolarHBondContact NH2-OE2 2.81Å; Y43-E51 WeakPolarHBondContact OH-CG 3.35Å; Y43-E51 PolarHBondContact OH-OE1 2.83Å; L48-E51 PolarHBondContact O-N 2.8Å; E51-V54 HydrophobicContact CB-CG2 3.66Å; E51-V54 HydrophobicContact CG-CG2 4.25Å; E51-L90 HydrophobicContact CB-CD1 4.35Å
52S93.8Very high94.5Very high46 Ų4632.8 Ų32.832%0.32222%0.217SC..SBendtrans-93.7-34.2178.659.40000113.3P4 D91P4-S52 WeakPolarHBondContact CB-OG 3.18Å; S52-D91 WeakPolarHBondContact O-CB 3.22Å; S52-D91 PolarHBondContact O-N 3.49Å
53L96.4Very high93.7Very high0 Ų033.2 Ų33.20%020%0.204CC..EExtended strand (participates in β ladder)trans-138.4111.4-174.2-178.963000111.2P4 L6 L7 D91 L124 V153 Y157P4-L53 HydrophobicContact CB-CB 4.22Å; P4-L53 HydrophobicContact CG-CB 4.31Å; P4-L53 HydrophobicContact CG-CD2 3.91Å; L6-L53 HydrophobicContact CB-CD2 4.39Å; L6-L53 HydrophobicContact CD1-CD2 3.98Å; L6-L53 HydrophobicContact CD1-CG 3.78Å; L7-L53 PolarHBondContact N-O 3.27Å; L53-D91 VanDerWaalsContact CA-O 3.29Å; L53-D91 WeakPolarHBondContact CA-O 3.26Å; L53-D91 HydrophobicContact CD1-CB 4.21Å; L53-L124 HydrophobicContact CD1-CD1 3.45Å; L53-L124 VanDerWaalsContact CD1-CD1 3.45Å; L53-V153 HydrophobicContact CD2-CG2 4.42Å; L53-Y157 HydrophobicContact CD2-CE2 4.24Å
54V98.1Very high93.3Very high0 Ų032.5 Ų32.50%020%0.203CC..EExtended strand (participates in β ladder)trans-127.8133.7-178.4-174.40000112.6L7 L9 L48 E51 F56 L90 D91 C92 A93L7-V54 HydrophobicContact CB-CG2 4.15Å; L7-V54 HydrophobicContact CD2-CG1 4.48Å; L7-V54 HydrophobicContact CD2-CG2 4.16Å; L7-V54 HydrophobicContact CG-CG1 4.47Å; L7-V54 CarbonylContact O-C 3.58Å; L7-V54 VanDerWaalsContact O-CA 3.24Å; L7-V54 WeakPolarHBondContact O-CA 3.29Å; L9-V54 HydrophobicContact CD1-CG1 4.11Å; L9-V54 HydrophobicContact CG-CG1 4.26Å; L48-V54 HydrophobicContact CD2-CG2 4.46Å; E51-V54 HydrophobicContact CB-CG2 3.66Å; E51-V54 HydrophobicContact CG-CG2 4.25Å; V54-F56 HydrophobicContact CB-CE2 3.99Å; V54-F56 HydrophobicContact CB-CZ 4.31Å; V54-F56 HydrophobicContact CG1-CD1 4.45Å; V54-F56 HydrophobicContact CG1-CD2 3.97Å; V54-F56 HydrophobicContact CG1-CE1 4.02Å; V54-F56 HydrophobicContact CG1-CE2 3.5Å; V54-F56 VanDerWaalsContact CG1-CE2 3.5Å; V54-F56 HydrophobicContact CG1-CG 4.43Å; V54-F56 HydrophobicContact CG1-CZ 3.53Å; V54-L90 HydrophobicContact CB-CD1 3.8Å; V54-L90 HydrophobicContact CG2-CD1 3.34Å; V54-D91 PolarHBondContact N-O 2.85Å; V54-C92 HydrophobicContact CB-CB 4.24Å; V54-C92 CarbonylContact O-C 3.56Å; V54-C92 WeakPolarHBondContact O-CA 3.45Å; V54-C92 WeakPolarHBondContact O-CB 3.45Å; V54-A93 PolarHBondContact O-N 3.07Å
55V98.7Very high93.1Very high0 Ų032.3 Ų32.30%020%0.202CC..EExtended strand (participates in β ladder)trans-108.1124.9167.8173.90000109.5L6 L7 V8 L9 V24 V57 A93 W145 F149L6-V55 HydrophobicContact CD1-CB 4.49Å; L6-V55 HydrophobicContact CD1-CG2 3.86Å; L7-V55 PolarHBondContact O-N 3.3Å; V8-V55 CarbonylContact C-O 3.41Å; V8-V55 WeakPolarHBondContact CA-O 3.43Å; V8-V55 HydrophobicContact CG1-CB 4.31Å; V8-V55 HydrophobicContact CG1-CG1 4.33Å; V8-V55 HydrophobicContact CG2-CB 4.46Å; L9-V55 PolarHBondContact N-O 3.14Å; V24-V55 HydrophobicContact CG1-CG1 4.47Å; V55-V57 HydrophobicContact CG1-CG2 3.95Å; V55-A93 WeakPolarHBondContact CA-O 3.46Å; V55-A93 HydrophobicContact CG2-CB 4.34Å; V55-W145 HydrophobicContact CG1-CH2 4.05Å; V55-F149 HydrophobicContact CG2-CD2 4.33Å; V55-F149 HydrophobicContact CG2-CE1 4.04Å; V55-F149 HydrophobicContact CG2-CE2 3.48Å; V55-F149 VanDerWaalsContact CG2-CE2 3.48Å; V55-F149 HydrophobicContact CG2-CZ 3.31Å
56F98.8Very high93.1Very high0 Ų032.2 Ų32.20%020%0.202CC..EExtended strand (participates in β ladder)trans-101.4122.3174.4-63.8-86.7000110.5L9 L40 L48 V54 F73 C92 A93 V94 L95 L112 L116L9-F56 HydrophobicContact CB-CD1 4.03Å; L9-F56 HydrophobicContact CB-CE1 4.22Å; L9-F56 HydrophobicContact CD1-CD1 4.34Å; L9-F56 HydrophobicContact CD1-CE1 3.67Å; L9-F56 HydrophobicContact CD1-CZ 4.33Å; L9-F56 HydrophobicContact CG-CE1 4.5Å; L9-F56 CarbonylContact O-C 3.57Å; L9-F56 WeakPolarHBondContact O-CA 3.23Å; L40-F56 HydrophobicContact CD2-CD1 4.31Å; L40-F56 HydrophobicContact CD2-CE1 4.33Å; L48-F56 HydrophobicContact CD2-CZ 4.11Å; V54-F56 HydrophobicContact CB-CE2 3.99Å; V54-F56 HydrophobicContact CB-CZ 4.31Å; V54-F56 HydrophobicContact CG1-CD1 4.45Å; V54-F56 HydrophobicContact CG1-CD2 3.97Å; V54-F56 HydrophobicContact CG1-CE1 4.02Å; V54-F56 HydrophobicContact CG1-CE2 3.5Å; V54-F56 VanDerWaalsContact CG1-CE2 3.5Å; V54-F56 HydrophobicContact CG1-CG 4.43Å; V54-F56 HydrophobicContact CG1-CZ 3.53Å; F56-F73 HydrophobicContact CE1-CE1 4.23Å; F56-F73 HydrophobicContact CE1-CE2 4.43Å; F56-F73 AromaticContact CE1-CZ 3.63Å; F56-F73 HydrophobicContact CE1-CZ 3.63Å; F56-F73 HydrophobicContact CZ-CZ 4.33Å; F56-C92 HydrophobicContact CD2-CB 4.4Å; F56-C92 HydrophobicContact CE2-CB 4.1Å; F56-A93 PolarHBondContact N-O 3.02Å; F56-V94 HydrophobicContact CB-CG1 4.46Å; F56-V94 HydrophobicContact CB-CG2 4.29Å; F56-V94 HydrophobicContact CD2-CG2 4.33Å; F56-V94 WeakPolarHBondContact O-CA 3.21Å; F56-L95 PolarHBondContact O-N 3.13Å; F56-L112 HydrophobicContact CB-CD2 3.77Å; F56-L112 HydrophobicContact CD1-CD2 4.08Å; F56-L112 HydrophobicContact CG-CD2 3.96Å; F56-L116 HydrophobicContact CD2-CD1 3.67Å; F56-L116 HydrophobicContact CE2-CD1 3.61Å; F56-L116 HydrophobicContact CE2-CD2 4.03Å; F56-L116 HydrophobicContact CE2-CG 4.49Å; F56-L116 HydrophobicContact CG-CD1 4.42Å; F56-L116 HydrophobicContact CZ-CD1 4.32Å; F56-L116 HydrophobicContact CZ-CD2 4.11Å
57V98.7Very high93.1Very high0 Ų030.3 Ų30.30%019%0.186CC..EExtended strand (participates in β ladder)trans-116.1106176.8-170.20000109.4V8 L9 F10 G11 A17 T20 A21 V55 L95 L97V8-V57 HydrophobicContact CG1-CG2 4.12Å; L9-V57 PolarHBondContact O-N 2.97Å; F10-V57 CarbonylContact C-O 3.55Å; F10-V57 WeakPolarHBondContact CA-O 3.45Å; F10-V57 HydrophobicContact CB-CB 4.34Å; F10-V57 WeakPolarHBondContact CB-O 3.18Å; G11-V57 PolarHBondContact N-O 2.89Å; A17-V57 HydrophobicContact CB-CG1 4.09Å; A17-V57 WeakPolarHBondContact O-CG1 3.44Å; T20-V57 HydrophobicContact CG2-CG1 3.97Å; A21-V57 HydrophobicContact CB-CB 4.11Å; A21-V57 HydrophobicContact CB-CG2 4Å; V55-V57 HydrophobicContact CG1-CG2 3.95Å; V57-L95 WeakPolarHBondContact CA-O 3.35Å; V57-L95 HydrophobicContact CG1-CD2 4.45Å; V57-L97 HydrophobicContact CG1-CD1 3.53Å
58C97.7Very high92.9Very high0 Ų029.2 Ų29.20%018%0.18CC..EExtended strand (participates in β ladder)trans-128.9129.7-169.4-62.30000112.2M70 L95 G96 L97 V108C58-M70 HydrophobicContact CB-SD 4.3Å; C58-L95 PolarHBondContact N-O 3.04Å; C58-G96 WeakPolarHBondContact O-CA 3.26Å; C58-L97 PolarHBondContact O-N 3.43Å; C58-V108 HydrophobicContact CB-CG1 4.07Å
59S96.8Very high92.9Very high14 Ų1430.1 Ų30.110%0.09819%0.185CC..EExtended strand (participates in β ladder)trans-82.6159166.753.80000111.8G11 P67 L97G11-S59 PolarHBondContact O-N 2.81Å; G11-S59 PolarHBondContact O-OG 2.8Å; S59-P67 WeakPolarHBondContact O-CD 3.25Å; S59-P67 VanDerWaalsContact O-CG 3.3Å; S59-P67 WeakPolarHBondContact O-CG 3.4Å; S59-P67 WeakPolarHBondContact OG-CG 3.31Å; S59-L97 CarbonylContact C-O 3.48Å; S59-L97 VanDerWaalsContact CA-O 3.3Å; S59-L97 WeakPolarHBondContact CA-O 3.11Å
60T94.5Very high92.9Very high32 Ų3224.8 Ų24.820%0.19616%0.158CC..  trans-107.1136.5167.8-59.70000109.5L97 F107 V108T60-L97 PolarHBondContact N-O 2.78Å; T60-L97 VanDerWaalsContact N-O 3.1Å; T60-F107 HydrophobicContact CG2-CB 4.29Å; T60-F107 PolarHBondContact OG1-N 3.41Å; T60-V108 HydrophobicContact CG2-CG2 4.02Å; T60-V108 PolarHBondContact OG1-N 2.77Å
61T87.8Confident92.9Very high27 Ų2724.6 Ų24.617%0.16615%0.145CC..BIsolated β-bridgetrans-119.6160.5-177.869.10000111.9Q13 Q63 G64 D65 P67Q13-T61 HydrophobicContact CB-CG2 3.57Å; Q13-T61 HydrophobicContact CG-CG2 3.87Å; T61-Q63 PolarHBondContact O-N 2.84Å; T61-G64 PolarHBondContact O-N 3.28Å; T61-G64 VanDerWaalsContact O-N 3.08Å; T61-D65 PolarHBondContact N-O 3.14Å; T61-D65 PolarHBondContact O-N 2.94Å; T61-D65 PolarHBondContact OG1-O 2.77Å; T61-P67 HydrophobicContact CG2-CB 4.19Å; T61-P67 HydrophobicContact CG2-CG 3.97Å
62G79.1Confident92.8Very high50 Ų5028.5 Ų28.552%0.51517%0.167SC..THydrogen-bonded Turntrans49.6-128.1171.900000113G64G62-G64 VanDerWaalsContact C-N 3.31Å; G62-G64 PolarHBondContact O-N 2.81Å
63Q75.6Confident93Very high64 Ų6426.6 Ų26.630%0.29915%0.153SC..THydrogen-bonded Turntrans-96.153.9178.3-62.9-59.6-28.600110.9T61 K104T61-Q63 PolarHBondContact O-N 2.84Å; Q63-K104 WeakPolarHBondContact O-CD 3.48Å; Q63-K104 WeakPolarHBondContact O-CE 3.5Å; Q63-K104 PolarHBondContact O-NZ 3.49Å
64G86.4Confident93Very high5 Ų528.5 Ų28.55%0.05216%0.16CC..THydrogen-bonded Turntrans80.431.1179.100000114.3T61 G62 F107T61-G64 PolarHBondContact O-N 3.28Å; T61-G64 VanDerWaalsContact O-N 3.08Å; G62-G64 VanDerWaalsContact C-N 3.31Å; G62-G64 PolarHBondContact O-N 2.81Å; G64-F107 WeakPolarHBondContact O-CD1 3.4Å; G64-F107 WeakPolarHBondContact O-CE1 3.46Å
65D89.8Confident92.9Very high84 Ų8436.2 Ų36.245%0.44919%0.189SC..BIsolated β-bridgetrans-94.4147.9-179.3-63.9-55.6000111.6T61 V108T61-D65 PolarHBondContact N-O 3.14Å; T61-D65 PolarHBondContact O-N 2.94Å; T61-D65 PolarHBondContact OG1-O 2.77Å; D65-V108 WeakPolarHBondContact O-CG2 3.45Å
66P94.9Very high92.8Very high13 Ų1338.8 Ų38.88%0.08420%0.2CC..PPolyproline II helixtrans-65.514717229.8-34.9000110.7M70 K71 W74 V108P66-M70 HydrophobicContact CB-CB 4.35Å; P66-M70 HydrophobicContact CB-CG 4.14Å; P66-M70 HydrophobicContact CB-SD 4.04Å; P66-K71 HydrophobicContact CG-CG 4.26Å; P66-W74 HydrophobicContact CB-CB 4.44Å; P66-W74 HydrophobicContact CB-CD2 4.13Å; P66-W74 HydrophobicContact CB-CE3 4.23Å; P66-W74 HydrophobicContact CB-CG 4.24Å; P66-W74 HydrophobicContact CG-CB 4.32Å; P66-W74 HydrophobicContact CG-CD2 4.1Å; P66-W74 HydrophobicContact CG-CG 3.92Å; P66-V108 HydrophobicContact CB-CG1 4.37Å; P66-V108 HydrophobicContact CB-CG2 4.32Å
67P94.7Very high92.6Very high0 Ų039 Ų390%020%0.201CC..PPolyproline II helixtrans-53.8153.9172-25.435.4000112Q13 S59 T61 N69 M70 K71Q13-P67 HydrophobicContact CB-CB 4.44Å; S59-P67 WeakPolarHBondContact O-CD 3.25Å; S59-P67 VanDerWaalsContact O-CG 3.3Å; S59-P67 WeakPolarHBondContact O-CG 3.4Å; S59-P67 WeakPolarHBondContact OG-CG 3.31Å; T61-P67 HydrophobicContact CG2-CB 4.19Å; T61-P67 HydrophobicContact CG2-CG 3.97Å; P67-N69 VanDerWaalsContact C-N 3.3Å; P67-N69 PolarHBondContact O-N 2.84Å; P67-M70 WeakPolarHBondContact O-CB 3.44Å; P67-M70 PolarHBondContact O-N 3.15Å; P67-K71 PolarHBondContact O-N 2.87Å
68D91.2Very high92.5Very high50 Ų5042.3 Ų42.327%0.26722%0.216SC..G310 helixtrans-55.9-45.5-177.1-71.3-37.6000112.6Q13 M70 K71 K436Q13-D68 PolarHBondContact NE2-OD2 3.01Å; Q13-D68 VanDerWaalsContact OE1-N 3.16Å; Q13-D68 PolarHBondContact OE1-OD2 2.84Å; D68-M70 PolarHBondContact O-N 2.93Å; D68-K71 PolarHBondContact O-N 3.11Å; D68-K71 VanDerWaalsContact O-N 3.16Å; D68-K71 VanDerWaalsContact OD1-CE 3.32Å; D68-K71 WeakPolarHBondContact OD1-CE 3.44Å; D68-K71 IonicContact OD1-NZ 3.92Å; D68-K71 PolarHBondContact OD1-NZ 2.94Å; D68-K436 WeakPolarHBondContact OD1-CE 3.46Å; D68-K436 IonicContact OD1-NZ 2.82Å; D68-K436 PolarHBondContact OD1-NZ 3.29Å; D68-K436 IonicContact OD2-NZ 2.73Å; D68-K436 PolarHBondContact OD2-NZ 2.92Å
69N93.6Very high92.4Very high22 Ų2248 Ų4812%0.11824%0.238CC..G310 helixtrans-69.46.6178.484.3-33.3000114.1F10 G11 S12 L40 D41 P67F10-N69 PolarHBondContact O-ND2 2.99Å; G11-N69 VanDerWaalsContact CA-OD1 3.3Å; G11-N69 WeakPolarHBondContact CA-OD1 3.21Å; S12-N69 PolarHBondContact N-OD1 3.41Å; S12-N69 PolarHBondContact O-OD1 3.32Å; L40-N69 CarbonylContact C-O 3.5Å; L40-N69 WeakPolarHBondContact CB-O 3.36Å; D41-N69 WeakPolarHBondContact CB-O 3.3Å; D41-N69 PolarHBondContact N-O 3.26Å; D41-N69 WeakPolarHBondContact OD2-CA 3.36Å; D41-N69 WeakPolarHBondContact OD2-CB 3.39Å; P67-N69 VanDerWaalsContact C-N 3.3Å; P67-N69 PolarHBondContact O-N 2.84Å
70M95.3Very high92.3Very high0 Ų057.2 Ų57.20%028%0.276CS..G310 helixtrans-118.6-14.4176.1177.8177.5-160.800112.7L40 C58 P66 P67 D68 N72 F73 W74 V108 L112L40-M70 HydrophobicContact CB-CB 4.32Å; L40-M70 HydrophobicContact CB-CG 4.48Å; L40-M70 HydrophobicContact CD1-CB 3.95Å; L40-M70 HydrophobicContact CD1-CE 3.8Å; L40-M70 HydrophobicContact CD1-CG 3.57Å; L40-M70 HydrophobicContact CD1-SD 3.8Å; C58-M70 HydrophobicContact CB-SD 4.3Å; P66-M70 HydrophobicContact CB-CB 4.35Å; P66-M70 HydrophobicContact CB-CG 4.14Å; P66-M70 HydrophobicContact CB-SD 4.04Å; P67-M70 WeakPolarHBondContact O-CB 3.44Å; P67-M70 PolarHBondContact O-N 3.15Å; D68-M70 PolarHBondContact O-N 2.93Å; M70-N72 PolarHBondContact O-N 3.39Å; M70-F73 HydrophobicContact CE-CD1 4.42Å; M70-F73 PolarHBondContact O-N 2.92Å; M70-W74 HydrophobicContact CE-CE3 3.58Å; M70-W74 HydrophobicContact CE-CZ3 4.03Å; M70-W74 HydrophobicContact CG-CB 4.3Å; M70-W74 VanDerWaalsContact O-CB 3.31Å; M70-W74 WeakPolarHBondContact O-CB 3.34Å; M70-W74 PolarHBondContact O-N 2.87Å; M70-W74 HydrophobicContact SD-CE3 4.17Å; M70-V108 HydrophobicContact CE-CG1 4.12Å; M70-V108 HydrophobicContact SD-CG1 3.65Å; M70-L112 HydrophobicContact CE-CD1 4.19Å; M70-L112 HydrophobicContact CE-CD2 3.82Å; M70-L112 HydrophobicContact CE-CG 4.45Å
71K93.7Very high92.3Very high88 Ų8860.6 Ų60.638%0.38330%0.3SS..Hα-helixtrans-58-40.8-168.1-77.5177174.7170.40114.5P66 P67 D68 R75P66-K71 HydrophobicContact CG-CG 4.26Å; P67-K71 PolarHBondContact O-N 2.87Å; D68-K71 PolarHBondContact O-N 3.11Å; D68-K71 VanDerWaalsContact O-N 3.16Å; D68-K71 VanDerWaalsContact OD1-CE 3.32Å; D68-K71 WeakPolarHBondContact OD1-CE 3.44Å; D68-K71 IonicContact OD1-NZ 3.92Å; D68-K71 PolarHBondContact OD1-NZ 2.94Å; K71-R75 WeakPolarHBondContact O-CB 3.49Å; K71-R75 PolarHBondContact O-N 2.97Å
72N94.3Very high92.6Very high103 Ų10361.1 Ų61.155%0.55130%0.302SS*.Hα-helixtrans-68.6-48.5180-77.4-31.4000111.9M70 W74 R75 F76M70-N72 PolarHBondContact O-N 3.39Å; N72-W74 VanDerWaalsContact C-N 3.32Å; N72-W74 PolarHBondContact O-N 3.12Å; N72-R75 PolarHBondContact O-N 3.21Å; N72-R75 PolarHBondContact OD1-NH2 3.18Å; N72-F76 PolarHBondContact O-N 3.32Å
73F96.7Very high93.3Very high6 Ų662.8 Ų62.83%0.02630%0.304CS..Hα-helixtrans-55.3-48.6173.1-179.5-81.7000111.2L9 L40 Y43 V45 L48 F56 M70 R75 F76 L77 L112L9-F73 HydrophobicContact CD1-CE2 4.3Å; L40-F73 HydrophobicContact CB-CB 4.18Å; L40-F73 HydrophobicContact CB-CG 4.32Å; L40-F73 HydrophobicContact CD2-CB 4.4Å; L40-F73 HydrophobicContact CD2-CD1 3.77Å; L40-F73 HydrophobicContact CD2-CD2 3.56Å; L40-F73 HydrophobicContact CD2-CE1 3.82Å; L40-F73 HydrophobicContact CD2-CE2 3.6Å; L40-F73 HydrophobicContact CD2-CG 3.65Å; L40-F73 HydrophobicContact CD2-CZ 3.74Å; Y43-F73 HydrophobicContact CD1-CE2 4.47Å; V45-F73 HydrophobicContact CB-CD2 3.7Å; V45-F73 HydrophobicContact CB-CE2 3.94Å; V45-F73 HydrophobicContact CG2-CD2 3.69Å; V45-F73 HydrophobicContact CG2-CE2 3.59Å; V45-F73 HydrophobicContact CG2-CG 4.33Å; V45-F73 HydrophobicContact CG2-CZ 4.15Å; L48-F73 HydrophobicContact CD1-CE2 3.82Å; L48-F73 HydrophobicContact CD1-CZ 3.71Å; L48-F73 HydrophobicContact CG-CE2 4.39Å; F56-F73 HydrophobicContact CE1-CE1 4.23Å; F56-F73 HydrophobicContact CE1-CE2 4.43Å; F56-F73 AromaticContact CE1-CZ 3.63Å; F56-F73 HydrophobicContact CE1-CZ 3.63Å; F56-F73 HydrophobicContact CZ-CZ 4.33Å; M70-F73 HydrophobicContact CE-CD1 4.42Å; M70-F73 PolarHBondContact O-N 2.92Å; F73-R75 PolarHBondContact O-N 3.06Å; F73-F76 PolarHBondContact O-N 3.16Å; F73-L77 HydrophobicContact CE1-CB 4.43Å; F73-L77 HydrophobicContact CE1-CD2 3.85Å; F73-L77 HydrophobicContact CZ-CD2 4.38Å; F73-L77 WeakPolarHBondContact O-CB 3.32Å; F73-L77 PolarHBondContact O-N 2.87Å; F73-L112 HydrophobicContact CE1-CD1 4.32Å
74W96.2Very high94.1Very high41 Ų4163.3 Ų63.316%0.15532%0.319CS..Hα-helixtrans-56.9-51.1178.4-177.7-90.7000112.1P66 M70 N72 F76 L77 F78 V108 K111 L112P66-W74 HydrophobicContact CB-CB 4.44Å; P66-W74 HydrophobicContact CB-CD2 4.13Å; P66-W74 HydrophobicContact CB-CE3 4.23Å; P66-W74 HydrophobicContact CB-CG 4.24Å; P66-W74 HydrophobicContact CG-CB 4.32Å; P66-W74 HydrophobicContact CG-CD2 4.1Å; P66-W74 HydrophobicContact CG-CG 3.92Å; M70-W74 HydrophobicContact CE-CE3 3.58Å; M70-W74 HydrophobicContact CE-CZ3 4.03Å; M70-W74 HydrophobicContact CG-CB 4.3Å; M70-W74 VanDerWaalsContact O-CB 3.31Å; M70-W74 WeakPolarHBondContact O-CB 3.34Å; M70-W74 PolarHBondContact O-N 2.87Å; M70-W74 HydrophobicContact SD-CE3 4.17Å; N72-W74 VanDerWaalsContact C-N 3.32Å; N72-W74 PolarHBondContact O-N 3.12Å; W74-F76 VanDerWaalsContact C-N 3.29Å; W74-F76 PolarHBondContact O-N 2.92Å; W74-L77 PolarHBondContact O-N 2.75Å; W74-F78 AromaticContact CD2-CD2 3.94Å; W74-F78 HydrophobicContact CD2-CD2 3.94Å; W74-F78 AromaticContact CD2-CE2 3.77Å; W74-F78 HydrophobicContact CD2-CE2 3.77Å; W74-F78 AromaticContact CE2-CD2 3.89Å; W74-F78 AromaticContact CE2-CE2 3.68Å; W74-F78 HydrophobicContact CE3-CD2 4.36Å; W74-F78 AromaticContact CE3-CE2 3.8Å; W74-F78 HydrophobicContact CE3-CE2 3.8Å; W74-F78 HydrophobicContact CG-CD2 4.26Å; W74-F78 AromaticContact CH2-CE2 3.78Å; W74-F78 HydrophobicContact CH2-CE2 3.78Å; W74-F78 AromaticContact CH2-CZ 3.89Å; W74-F78 HydrophobicContact CH2-CZ 3.89Å; W74-F78 HydrophobicContact CZ2-CD2 4.32Å; W74-F78 AromaticContact CZ2-CE2 3.7Å; W74-F78 HydrophobicContact CZ2-CE2 3.7Å; W74-F78 AromaticContact CZ2-CZ 3.84Å; W74-F78 HydrophobicContact CZ2-CZ 3.84Å; W74-F78 AromaticContact CZ3-CE2 3.81Å; W74-F78 HydrophobicContact CZ3-CE2 3.81Å; W74-F78 HydrophobicContact CZ3-CZ 4.31Å; W74-F78 WeakPolarHBondContact O-CB 3.35Å; W74-F78 WeakPolarHBondContact O-CD2 3.17Å; W74-F78 PolarHBondContact O-N 2.63Å; W74-F78 VanDerWaalsContact O-N 3.11Å; W74-V108 HydrophobicContact CE3-CG1 4.28Å; W74-V108 HydrophobicContact CH2-CG1 4.27Å; W74-V108 HydrophobicContact CZ3-CB 4.41Å; W74-V108 HydrophobicContact CZ3-CG1 3.66Å; W74-K111 HydrophobicContact CH2-CB 3.58Å; W74-K111 HydrophobicContact CH2-CD 4.2Å; W74-K111 HydrophobicContact CZ2-CB 4.21Å; W74-K111 HydrophobicContact CZ2-CD 4.04Å; W74-L112 HydrophobicContact CZ3-CB 4.23Å
75R96.2Very high94.4Very high162 Ų16265 Ų6561%0.61134%0.337SS*.Hα-helixtrans-61-37.7179.6179.3173.553.4141-3.5112.2K71 N72 F73K71-R75 WeakPolarHBondContact O-CB 3.49Å; K71-R75 PolarHBondContact O-N 2.97Å; N72-R75 PolarHBondContact O-N 3.21Å; N72-R75 PolarHBondContact OD1-NH2 3.18Å; F73-R75 PolarHBondContact O-N 3.06Å
76F96.4Very high94.6Very high54 Ų5463 Ų6324%0.23733%0.329CS..Hα-helixtrans-68.1-52.6176.6-176.7-81.3000111.5V45 N72 F73 W74 F78 R79 L82V45-F76 HydrophobicContact CB-CD1 4.01Å; V45-F76 HydrophobicContact CB-CE1 4.42Å; V45-F76 HydrophobicContact CB-CG 4.4Å; V45-F76 HydrophobicContact CG1-CB 3.78Å; V45-F76 HydrophobicContact CG1-CD1 3.26Å; V45-F76 HydrophobicContact CG1-CD2 3.75Å; V45-F76 HydrophobicContact CG1-CE1 3.65Å; V45-F76 HydrophobicContact CG1-CE2 4.1Å; V45-F76 HydrophobicContact CG1-CG 3.32Å; V45-F76 HydrophobicContact CG1-CZ 4.05Å; V45-F76 HydrophobicContact CG2-CB 4.5Å; V45-F76 HydrophobicContact CG2-CD1 3.5Å; V45-F76 VanDerWaalsContact CG2-CD1 3.5Å; V45-F76 HydrophobicContact CG2-CE1 4Å; V45-F76 HydrophobicContact CG2-CG 4.25Å; N72-F76 PolarHBondContact O-N 3.32Å; F73-F76 PolarHBondContact O-N 3.16Å; W74-F76 VanDerWaalsContact C-N 3.29Å; W74-F76 PolarHBondContact O-N 2.92Å; F76-F78 PolarHBondContact O-N 2.87Å; F76-R79 VanDerWaalsContact O-CB 3.29Å; F76-R79 WeakPolarHBondContact O-CB 3.37Å; F76-R79 VanDerWaalsContact O-CG 3.24Å; F76-R79 WeakPolarHBondContact O-CG 3.4Å; F76-R79 PolarHBondContact O-N 2.95Å; F76-L82 HydrophobicContact CD1-CD1 4.34Å; F76-L82 HydrophobicContact CE1-CD1 4.25Å; F76-L82 HydrophobicContact CE1-CD2 4.12Å; F76-L82 HydrophobicContact CZ-CD2 4.39Å; F76-L82 WeakPolarHBondContact O-CD1 3.4Å
77L96Very high94.7Very high4 Ų462.7 Ų62.72%0.02133%0.327CS..Hα-helixtrans-61.9-30.3-174.7-165.872.5000112.2L48 F73 W74 R79 L82 L87 L112 R115 L116 L119L48-L77 HydrophobicContact CD1-CD1 4.26Å; F73-L77 HydrophobicContact CE1-CB 4.43Å; F73-L77 HydrophobicContact CE1-CD2 3.85Å; F73-L77 HydrophobicContact CZ-CD2 4.38Å; F73-L77 WeakPolarHBondContact O-CB 3.32Å; F73-L77 PolarHBondContact O-N 2.87Å; W74-L77 PolarHBondContact O-N 2.75Å; L77-R79 VanDerWaalsContact C-N 3.34Å; L77-R79 PolarHBondContact O-N 2.87Å; L77-L82 WeakPolarHBondContact O-CD1 3.37Å; L77-L87 HydrophobicContact CD1-CD1 4.44Å; L77-L112 HydrophobicContact CD2-CD1 3.45Å; L77-L112 VanDerWaalsContact CD2-CD1 3.45Å; L77-R115 HydrophobicContact CD2-CG 4.26Å; L77-R115 HydrophobicContact CG-CG 4.11Å; L77-R115 PolarHBondContact O-NE 3.37Å; L77-R115 PolarHBondContact O-NH2 3.4Å; L77-L116 HydrophobicContact CD2-CD2 4.13Å; L77-L119 HydrophobicContact CD1-CD1 3.53Å; L77-L119 HydrophobicContact CG-CD1 4Å
78F96.1Very high94.7Very high69 Ų6966.6 Ų66.630%0.30335%0.354SS..THydrogen-bonded Turntrans-86.16.6177.8-81.9-95.1000114.9W74 F76 K80 K111 R115W74-F78 AromaticContact CD2-CD2 3.94Å; W74-F78 HydrophobicContact CD2-CD2 3.94Å; W74-F78 AromaticContact CD2-CE2 3.77Å; W74-F78 HydrophobicContact CD2-CE2 3.77Å; W74-F78 AromaticContact CE2-CD2 3.89Å; W74-F78 AromaticContact CE2-CE2 3.68Å; W74-F78 HydrophobicContact CE3-CD2 4.36Å; W74-F78 AromaticContact CE3-CE2 3.8Å; W74-F78 HydrophobicContact CE3-CE2 3.8Å; W74-F78 HydrophobicContact CG-CD2 4.26Å; W74-F78 AromaticContact CH2-CE2 3.78Å; W74-F78 HydrophobicContact CH2-CE2 3.78Å; W74-F78 AromaticContact CH2-CZ 3.89Å; W74-F78 HydrophobicContact CH2-CZ 3.89Å; W74-F78 HydrophobicContact CZ2-CD2 4.32Å; W74-F78 AromaticContact CZ2-CE2 3.7Å; W74-F78 HydrophobicContact CZ2-CE2 3.7Å; W74-F78 AromaticContact CZ2-CZ 3.84Å; W74-F78 HydrophobicContact CZ2-CZ 3.84Å; W74-F78 AromaticContact CZ3-CE2 3.81Å; W74-F78 HydrophobicContact CZ3-CE2 3.81Å; W74-F78 HydrophobicContact CZ3-CZ 4.31Å; W74-F78 WeakPolarHBondContact O-CB 3.35Å; W74-F78 WeakPolarHBondContact O-CD2 3.17Å; W74-F78 PolarHBondContact O-N 2.63Å; W74-F78 VanDerWaalsContact O-N 3.11Å; F76-F78 PolarHBondContact O-N 2.87Å; F78-K80 PolarHBondContact O-N 2.88Å; F78-K111 HydrophobicContact CZ-CB 4.1Å; F78-R115 HydrophobicContact CD1-CG 4.31Å; F78-R115 HydrophobicContact CD2-CG 4.25Å; F78-R115 HydrophobicContact CE1-CB 3.95Å; F78-R115 HydrophobicContact CE1-CG 4.11Å; F78-R115 HydrophobicContact CE2-CB 4.02Å; F78-R115 HydrophobicContact CE2-CG 4.06Å; F78-R115 HydrophobicContact CG-CG 4.38Å; F78-R115 HydrophobicContact CZ-CB 3.6Å; F78-R115 HydrophobicContact CZ-CG 3.99Å
79R96.2Very high94.7Very high121 Ų12168.8 Ų68.846%0.45737%0.372SS..  trans-63.4125.9172.4-72.2173.3-179-177.6-0.1110.6F76 L77 S81 L82 R115F76-R79 VanDerWaalsContact O-CB 3.29Å; F76-R79 WeakPolarHBondContact O-CB 3.37Å; F76-R79 VanDerWaalsContact O-CG 3.24Å; F76-R79 WeakPolarHBondContact O-CG 3.4Å; F76-R79 PolarHBondContact O-N 2.95Å; L77-R79 VanDerWaalsContact C-N 3.34Å; L77-R79 PolarHBondContact O-N 2.87Å; R79-S81 PolarHBondContact O-N 3.44Å; R79-S81 VanDerWaalsContact O-N 3.16Å; R79-L82 HydrophobicContact CB-CG 4.21Å; R79-L82 PolarHBondContact O-N 3.11Å; R79-R115 PolarHBondContact O-NH2 3.27Å
80K93.5Very high94.8Very high207 Ų20767.8 Ų67.890%0.937%0.367SS*.THydrogen-bonded Turntrans-62.7-20.1178.3-66.2-176.1178.4-179.10113.7F78 L82F78-K80 PolarHBondContact O-N 2.88Å; K80-L82 VanDerWaalsContact C-N 3.29Å; K80-L82 PolarHBondContact O-N 3.27Å
81S94.6Very high94.8Very high102 Ų10269.9 Ų69.971%0.71338%0.378SS*.THydrogen-bonded Turntrans-76.7-9.6-179.959.80000114.4R79R79-S81 PolarHBondContact O-N 3.44Å; R79-S81 VanDerWaalsContact O-N 3.16Å
82L94.7Very high95Very high39 Ų3965.7 Ų65.720%0.20436%0.36CS..SBendtrans-73.2128.6179.3-65.2178.4000110.8F76 L77 R79 K80 L119F76-L82 HydrophobicContact CD1-CD1 4.34Å; F76-L82 HydrophobicContact CE1-CD1 4.25Å; F76-L82 HydrophobicContact CE1-CD2 4.12Å; F76-L82 HydrophobicContact CZ-CD2 4.39Å; F76-L82 WeakPolarHBondContact O-CD1 3.4Å; L77-L82 WeakPolarHBondContact O-CD1 3.37Å; R79-L82 HydrophobicContact CB-CG 4.21Å; R79-L82 PolarHBondContact O-N 3.11Å; K80-L82 VanDerWaalsContact C-N 3.29Å; K80-L82 PolarHBondContact O-N 3.27Å; L82-L119 HydrophobicContact CB-CD2 3.76Å; L82-L119 HydrophobicContact CD1-CD1 4.37Å
83P93.9Very high95.2Very high84 Ų8460.8 Ų60.855%0.54533%0.334SS..  trans-59.1143.3176.1-23.932.2000113.5G85 S86 L119P83-G85 PolarHBondContact O-N 2.89Å; P83-G85 VanDerWaalsContact O-N 3.1Å; P83-S86 WeakPolarHBondContact CD-OG 3.4Å; P83-S86 PolarHBondContact O-N 3.48Å; P83-S86 PolarHBondContact O-OG 2.92Å; P83-S86 VanDerWaalsContact O-OG 3.12Å; P83-L119 WeakPolarHBondContact O-CD2 3.38Å
84A91.3Very high95.3Very high75 Ų7560.6 Ų60.662%0.6233%0.333SS*.THydrogen-bonded Turntrans-68.1-8.3-176.500000115.1Q118 L119 G120A84-Q118 WeakPolarHBondContact CA-O 3.33Å; A84-L119 CarbonylContact C-O 3.54Å; A84-L119 CarbonylContact O-C 2.87Å; A84-L119 WeakPolarHBondContact O-CA 3.48Å; A84-L119 VanDerWaalsContact O-O 3.1Å; A84-G120 PolarHBondContact O-N 3.33Å; A84-G120 VanDerWaalsContact O-N 3.11Å
85G92.6Very high95.4Very high42 Ų4258.6 Ų58.643%0.43333%0.325SS..THydrogen-bonded Turntrans-11611.8177.100000113.7P83 L87 S88 L119P83-G85 PolarHBondContact O-N 2.89Å; P83-G85 VanDerWaalsContact O-N 3.1Å; G85-L87 PolarHBondContact O-N 3.21Å; G85-L87 VanDerWaalsContact O-N 3.09Å; G85-S88 WeakPolarHBondContact O-CB 3.47Å; G85-S88 PolarHBondContact O-N 2.95Å; G85-S88 VanDerWaalsContact O-N 3.14Å; G85-S88 PolarHBondContact O-OG 2.63Å; G85-L119 CarbonylContact C-O 3.59Å; G85-L119 VanDerWaalsContact C-O 3.24Å; G85-L119 WeakPolarHBondContact CA-O 3.44Å
86S94.3Very high95.5Very high40 Ų4050.9 Ų50.928%0.2830%0.296SS..THydrogen-bonded Turntrans-58.5-23-176.7-71.10000114.2I49 P83 L119I49-S86 WeakPolarHBondContact CG2-O 3.49Å; P83-S86 WeakPolarHBondContact CD-OG 3.4Å; P83-S86 PolarHBondContact O-N 3.48Å; P83-S86 PolarHBondContact O-OG 2.92Å; P83-S86 VanDerWaalsContact O-OG 3.12Å; S86-L119 PolarHBondContact N-O 3.24Å; S86-L119 VanDerWaalsContact N-O 3.13Å
87L96.7Very high95.6Very high7 Ų749 Ų494%0.03729%0.289CS..THydrogen-bonded Turntrans-11826.6-178.9-57.1-179.5000111.7L48 I49 L77 G85 C89 L90 L116 L119 G120 A121L48-L87 HydrophobicContact CB-CD2 3.74Å; I49-L87 HydrophobicContact CG2-CD2 4.31Å; L77-L87 HydrophobicContact CD1-CD1 4.44Å; G85-L87 PolarHBondContact O-N 3.21Å; G85-L87 VanDerWaalsContact O-N 3.09Å; L87-C89 PolarHBondContact O-N 2.94Å; L87-L90 HydrophobicContact CB-CB 4.11Å; L87-L90 HydrophobicContact CB-CD2 4.26Å; L87-L90 HydrophobicContact CD1-CD2 4.11Å; L87-L90 HydrophobicContact CD2-CD2 4.31Å; L87-L90 HydrophobicContact CG-CD2 4.46Å; L87-L90 WeakPolarHBondContact O-CB 3.18Å; L87-L90 PolarHBondContact O-N 3.16Å; L87-L116 HydrophobicContact CD1-CD2 3.77Å; L87-L119 HydrophobicContact CB-CB 4.3Å; L87-L119 HydrophobicContact CD1-CB 3.89Å; L87-L119 HydrophobicContact CD1-CD1 4.02Å; L87-L119 HydrophobicContact CG-CB 4.03Å; L87-L119 PolarHBondContact N-O 2.96Å; L87-G120 CarbonylContact O-C 3.6Å; L87-A121 HydrophobicContact CB-CB 4.01Å; L87-A121 VanDerWaalsContact O-CA 3.25Å; L87-A121 WeakPolarHBondContact O-CA 3.42Å; L87-A121 PolarHBondContact O-N 2.83Å
88S95.3Very high95.5Very high82 Ų8249.3 Ų49.357%0.57329%0.293SS*.THydrogen-bonded Turntrans-62.2-22.8-17857.60000114.7G85 G120G85-S88 WeakPolarHBondContact O-CB 3.47Å; G85-S88 PolarHBondContact O-N 2.95Å; G85-S88 VanDerWaalsContact O-N 3.14Å; G85-S88 PolarHBondContact O-OG 2.63Å; S88-G120 WeakPolarHBondContact CA-O 3.5Å
89C91.8Very high95.3Very high96 Ų9647.5 Ų47.565%0.64929%0.286SS*.THydrogen-bonded Turntrans-92.81.3177.1-59.70000113.4L87L87-C89 PolarHBondContact O-N 2.94Å
90L95.6Very high95Very high2 Ų244.7 Ų44.71%0.0129%0.285CS..  trans-96.1110.9-174.5176.161.5000111E51 V54 L87 C92 A121 A122E51-L90 HydrophobicContact CB-CD1 4.35Å; V54-L90 HydrophobicContact CB-CD1 3.8Å; V54-L90 HydrophobicContact CG2-CD1 3.34Å; L87-L90 HydrophobicContact CB-CB 4.11Å; L87-L90 HydrophobicContact CB-CD2 4.26Å; L87-L90 HydrophobicContact CD1-CD2 4.11Å; L87-L90 HydrophobicContact CD2-CD2 4.31Å; L87-L90 HydrophobicContact CG-CD2 4.46Å; L87-L90 WeakPolarHBondContact O-CB 3.18Å; L87-L90 PolarHBondContact O-N 3.16Å; L90-C92 HydrophobicContact CD1-CB 4.29Å; L90-C92 HydrophobicContact CD2-CB 4.33Å; L90-C92 HydrophobicContact CG-CB 4.06Å; L90-A121 HydrophobicContact CB-CB 4.26Å; L90-A121 HydrophobicContact CD2-CB 4.17Å; L90-A121 HydrophobicContact CG-CB 4.28Å; L90-A121 WeakPolarHBondContact O-CA 3.42Å; L90-A122 PolarHBondContact O-N 3.12Å
91D95.9Very high94.5Very high44 Ų4438.6 Ų38.624%0.23527%0.269CS..EExtended strand (participates in β ladder)trans-79.6128.6158.9-71.2-46.3000109S52 L53 V54 A122 L124 Y157S52-D91 WeakPolarHBondContact O-CB 3.22Å; S52-D91 PolarHBondContact O-N 3.49Å; L53-D91 VanDerWaalsContact CA-O 3.29Å; L53-D91 WeakPolarHBondContact CA-O 3.26Å; L53-D91 HydrophobicContact CD1-CB 4.21Å; V54-D91 PolarHBondContact N-O 2.85Å; D91-A122 WeakPolarHBondContact OD1-CB 3.28Å; D91-L124 HydrophobicContact CB-CD1 4.21Å; D91-L124 HydrophobicContact CB-CD2 3.85Å; D91-L124 HydrophobicContact CB-CG 4.08Å; D91-Y157 PolarHBondContact OD2-OH 2.9Å
92C97Very high93.9Very high0 Ų036.8 Ų36.80%025%0.247CC..EExtended strand (participates in β ladder)trans-148.4165.5177.857.20000114.9V54 F56 L90 A122 M123 L124V54-C92 HydrophobicContact CB-CB 4.24Å; V54-C92 CarbonylContact O-C 3.56Å; V54-C92 WeakPolarHBondContact O-CA 3.45Å; V54-C92 WeakPolarHBondContact O-CB 3.45Å; F56-C92 HydrophobicContact CD2-CB 4.4Å; F56-C92 HydrophobicContact CE2-CB 4.1Å; L90-C92 HydrophobicContact CD1-CB 4.29Å; L90-C92 HydrophobicContact CD2-CB 4.33Å; L90-C92 HydrophobicContact CG-CB 4.06Å; C92-A122 PolarHBondContact N-O 3.38Å; C92-M123 WeakPolarHBondContact O-CA 3.33Å; C92-M123 WeakPolarHBondContact SG-CE 3.34Å; C92-L124 PolarHBondContact O-N 3.19Å
93A98.5Very high93.2Very high0 Ų040.6 Ų40.60%027%0.274CS..EExtended strand (participates in β ladder)trans-136.2147.9176.600000109.5V54 V55 F56 V125 W145 F149V54-A93 PolarHBondContact O-N 3.07Å; V55-A93 WeakPolarHBondContact CA-O 3.46Å; V55-A93 HydrophobicContact CG2-CB 4.34Å; F56-A93 PolarHBondContact N-O 3.02Å; A93-V125 HydrophobicContact CB-CG2 3.87Å; A93-W145 HydrophobicContact CB-CH2 3.74Å; A93-W145 HydrophobicContact CB-CZ2 3.6Å; A93-F149 HydrophobicContact CB-CD2 3.76Å; A93-F149 HydrophobicContact CB-CE2 3.94Å
94V98.8Very high93Very high1 Ų141 Ų411%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-125.4124.4-179-1760000109.6F56 A109 L112 Q113 L116 M123 V127 G128F56-V94 HydrophobicContact CB-CG1 4.46Å; F56-V94 HydrophobicContact CB-CG2 4.29Å; F56-V94 HydrophobicContact CD2-CG2 4.33Å; F56-V94 WeakPolarHBondContact O-CA 3.21Å; V94-A109 HydrophobicContact CG1-CB 4.02Å; V94-L112 HydrophobicContact CG1-CD2 4.32Å; V94-Q113 HydrophobicContact CB-CB 4.33Å; V94-Q113 HydrophobicContact CG2-CB 4.08Å; V94-L116 HydrophobicContact CG2-CD1 3.8Å; V94-M123 HydrophobicContact CG2-SD 4.45Å; V94-V127 HydrophobicContact CB-CG2 4.15Å; V94-V127 HydrophobicContact CG1-CG2 4.08Å; V94-V127 WeakPolarHBondContact O-CA 3.49Å; V94-G128 PolarHBondContact O-N 3.18Å
95L98.7Very high93.1Very high0 Ų039.8 Ų39.80%025%0.248CC..EExtended strand (participates in β ladder)trans-115.4116.6173.3-17861.1000109.2T20 F56 V57 C58 I142 W145T20-L95 HydrophobicContact CG2-CD2 3.6Å; F56-L95 PolarHBondContact O-N 3.13Å; V57-L95 WeakPolarHBondContact CA-O 3.35Å; V57-L95 HydrophobicContact CG1-CD2 4.45Å; C58-L95 PolarHBondContact N-O 3.04Å; L95-I142 HydrophobicContact CD1-CG1 4.31Å; L95-I142 HydrophobicContact CD2-CG1 4.14Å; L95-I142 HydrophobicContact CD2-CG2 4.04Å; L95-W145 HydrophobicContact CB-CE3 4.35Å; L95-W145 HydrophobicContact CB-CH2 3.94Å; L95-W145 HydrophobicContact CB-CZ2 4.06Å; L95-W145 HydrophobicContact CB-CZ3 4.09Å; L95-W145 HydrophobicContact CD1-CD2 4.03Å; L95-W145 HydrophobicContact CD1-CE3 4.21Å; L95-W145 HydrophobicContact CD1-CG 4.24Å; L95-W145 HydrophobicContact CD2-CE3 4.08Å; L95-W145 HydrophobicContact CD2-CZ3 4.14Å; L95-W145 HydrophobicContact CG-CE3 4.46Å
96G98.2Very high93.3Very high0 Ų037.8 Ų37.80%023%0.227CC..EExtended strand (participates in β ladder)trans-95.6137.6176.200000112C58 N106 A109 G128 A130C58-G96 WeakPolarHBondContact O-CA 3.26Å; G96-N106 WeakPolarHBondContact CA-OD1 3.38Å; G96-N106 PolarHBondContact O-OD1 3.33Å; G96-A109 VanDerWaalsContact CA-CB 3.4Å; G96-G128 WeakPolarHBondContact CA-O 3.42Å; G96-G128 PolarHBondContact N-O 3.18Å; G96-A130 VanDerWaalsContact O-CB 3.29Å; G96-A130 WeakPolarHBondContact O-CB 3.47Å; G96-A130 PolarHBondContact O-N 3.25Å
97L97.4Very high93.5Very high14 Ų1438.6 Ų38.67%0.07323%0.226CC..EExtended strand (participates in β ladder)trans-109.7117.6166.5-65.887.9000108.8T16 A17 V57 C58 S59 T60 N106T16-L97 HydrophobicContact CG2-CD2 3.46Å; T16-L97 VanDerWaalsContact CG2-CD2 3.46Å; A17-L97 HydrophobicContact CB-CD1 3.93Å; V57-L97 HydrophobicContact CG1-CD1 3.53Å; C58-L97 PolarHBondContact O-N 3.43Å; S59-L97 CarbonylContact C-O 3.48Å; S59-L97 VanDerWaalsContact CA-O 3.3Å; S59-L97 WeakPolarHBondContact CA-O 3.11Å; T60-L97 PolarHBondContact N-O 2.78Å; T60-L97 VanDerWaalsContact N-O 3.1Å; L97-N106 PolarHBondContact N-OD1 3.47Å
98G95.2Very high93.5Very high11 Ų1138.2 Ų38.211%0.11322%0.224CC..EExtended strand (participates in β ladder)trans-140.2-179.1-178.800000112.3N106 A130 D131 D132G98-N106 PolarHBondContact N-ND2 3.4Å; G98-N106 PolarHBondContact N-OD1 2.9Å; G98-A130 PolarHBondContact N-O 3.16Å; G98-D131 WeakPolarHBondContact O-CA 3.29Å; G98-D132 PolarHBondContact O-N 2.82Å
99D91.3Very high93.7Very high31 Ų3134.3 Ų34.317%0.16620%0.197CC..  trans-136118.6179.7178.2-32.3000107.3S101 Y102 D131 D132 Q133D99-S101 VanDerWaalsContact CG-OG 3.27Å; D99-S101 PolarHBondContact O-N 2.97Å; D99-S101 WeakPolarHBondContact OD1-CA 3.39Å; D99-S101 WeakPolarHBondContact OD1-CB 3.36Å; D99-S101 PolarHBondContact OD1-N 3.21Å; D99-S101 PolarHBondContact OD1-OG 3.16Å; D99-S101 PolarHBondContact OD2-OG 3.49Å; D99-Y102 HydrophobicContact CB-CD2 3.82Å; D99-Y102 HydrophobicContact CB-CE2 4.25Å; D99-Y102 PolarHBondContact O-N 3.44Å; D99-D131 WeakPolarHBondContact CA-OD1 3.46Å; D99-D132 HydrophobicContact CB-CB 4.33Å; D99-Q133 VanDerWaalsContact CG-NE2 3.28Å; D99-Q133 WeakPolarHBondContact OD1-CG 3.44Å; D99-Q133 PolarHBondContact OD1-NE2 3.16Å; D99-Q133 VanDerWaalsContact OD1-NE2 3.17Å; D99-Q133 PolarHBondContact OD2-NE2 3.41Å
100S90.8Very high94Very high62 Ų6233.2 Ų33.243%0.43418%0.181SC..THydrogen-bonded Turntrans-71.5-9.6-176.4590000114.3Y102 D131S100-Y102 PolarHBondContact O-N 3.44Å; S100-D131 WeakPolarHBondContact CB-OD2 3.43Å; S100-D131 PolarHBondContact N-OD1 3.47Å; S100-D131 PolarHBondContact OG-OD1 3.04Å; S100-D131 PolarHBondContact OG-OD2 2.77Å
101S83.1Confident94.1Very high79 Ų7937.2 Ų37.255%0.55220%0.198SC*.THydrogen-bonded Turntrans-69.5-17.7169.274.30000112.7D99D99-S101 VanDerWaalsContact CG-OG 3.27Å; D99-S101 PolarHBondContact O-N 2.97Å; D99-S101 WeakPolarHBondContact OD1-CA 3.39Å; D99-S101 WeakPolarHBondContact OD1-CB 3.36Å; D99-S101 PolarHBondContact OD1-N 3.21Å; D99-S101 PolarHBondContact OD1-OG 3.16Å; D99-S101 PolarHBondContact OD2-OG 3.49Å
102Y82Confident94.2Very high64 Ų6435.1 Ų35.125%0.25119%0.187SC..SBendtrans-92.4137.1175.4-70.9-101.3000111.3D99 S100 K104 F105D99-Y102 HydrophobicContact CB-CD2 3.82Å; D99-Y102 HydrophobicContact CB-CE2 4.25Å; D99-Y102 PolarHBondContact O-N 3.44Å; S100-Y102 PolarHBondContact O-N 3.44Å; Y102-K104 PolarHBondContact O-N 2.98Å; Y102-K104 VanDerWaalsContact O-N 3.09Å; Y102-F105 PolarHBondContact O-N 3.35Å
103P80Confident94.2Very high119 Ų11937.5 Ų37.577%0.77320%0.198SC*.THydrogen-bonded Turntrans-56.5-32.6179.7-27.434.4000114.2F105P103-F105 PolarHBondContact O-N 3.37Å
104K88.9Confident94.2Very high91 Ų9143.9 Ų43.940%0.39623%0.226SC..THydrogen-bonded Turntrans-97.652.2179.8-68.9-172.7-165.6166.50112.4Q63 Y102 N106 F107Q63-K104 WeakPolarHBondContact O-CD 3.48Å; Q63-K104 WeakPolarHBondContact O-CE 3.5Å; Q63-K104 PolarHBondContact O-NZ 3.49Å; Y102-K104 PolarHBondContact O-N 2.98Å; Y102-K104 VanDerWaalsContact O-N 3.09Å; K104-N106 PolarHBondContact O-N 2.95Å; K104-F107 HydrophobicContact CB-CB 3.94Å; K104-F107 HydrophobicContact CB-CG 4.34Å; K104-F107 HydrophobicContact CD-CD2 4.42Å; K104-F107 HydrophobicContact CD-CG 4.43Å; K104-F107 WeakPolarHBondContact O-CB 3.35Å; K104-F107 PolarHBondContact O-N 2.87Å
105F93.9Very high94.1Very high50 Ų5045.2 Ų45.222%0.21923%0.231CC..THydrogen-bonded Turntrans-52.7121.7177.7175.7-122.1000113Y102 P103 F107 K110 L129 D131Y102-F105 PolarHBondContact O-N 3.35Å; P103-F105 PolarHBondContact O-N 3.37Å; F105-F107 PolarHBondContact O-N 3.37Å; F105-F107 VanDerWaalsContact O-N 3.12Å; F105-K110 WeakPolarHBondContact O-CE 3.27Å; F105-K110 PolarHBondContact O-NZ 3.05Å; F105-L129 HydrophobicContact CE1-CB 4.28Å; F105-L129 HydrophobicContact CZ-CB 4.37Å; F105-D131 HydrophobicContact CE2-CB 3.86Å; F105-D131 HydrophobicContact CZ-CB 3.91Å
106N96.9Very high94.1Very high0 Ų045.2 Ų45.20%023%0.231CC..THydrogen-bonded Turntrans51.829.6179.3-89.7-67.5000114.9G96 L97 G98 K104 V108 A109 K110 L129 A130G96-N106 WeakPolarHBondContact CA-OD1 3.38Å; G96-N106 PolarHBondContact O-OD1 3.33Å; L97-N106 PolarHBondContact N-OD1 3.47Å; G98-N106 PolarHBondContact N-ND2 3.4Å; G98-N106 PolarHBondContact N-OD1 2.9Å; K104-N106 PolarHBondContact O-N 2.95Å; N106-V108 VanDerWaalsContact C-N 3.3Å; N106-V108 PolarHBondContact O-N 2.87Å; N106-A109 PolarHBondContact O-N 2.96Å; N106-K110 WeakPolarHBondContact O-CG 3.24Å; N106-K110 PolarHBondContact O-N 3.47Å; N106-K110 VanDerWaalsContact O-N 3.08Å; N106-L129 HydrophobicContact CB-CB 4.48Å; N106-L129 HydrophobicContact CB-CD2 3.67Å; N106-A130 PolarHBondContact ND2-O 3.34Å
107F97.1Very high94.1Very high57 Ų5748.7 Ų48.725%0.2525%0.251CS..Hα-helixtrans-60.5-37.9-171.8-177.4-101.2000113.7T60 G64 K104 F105 K111T60-F107 HydrophobicContact CG2-CB 4.29Å; T60-F107 PolarHBondContact OG1-N 3.41Å; G64-F107 WeakPolarHBondContact O-CD1 3.4Å; G64-F107 WeakPolarHBondContact O-CE1 3.46Å; K104-F107 HydrophobicContact CB-CB 3.94Å; K104-F107 HydrophobicContact CB-CG 4.34Å; K104-F107 HydrophobicContact CD-CD2 4.42Å; K104-F107 HydrophobicContact CD-CG 4.43Å; K104-F107 WeakPolarHBondContact O-CB 3.35Å; K104-F107 PolarHBondContact O-N 2.87Å; F105-F107 PolarHBondContact O-N 3.37Å; F105-F107 VanDerWaalsContact O-N 3.12Å; F107-K111 HydrophobicContact CD1-CD 4.07Å; F107-K111 HydrophobicContact CE1-CD 3.53Å; F107-K111 HydrophobicContact CE1-CG 4.43Å; F107-K111 HydrophobicContact CE2-CD 4.24Å; F107-K111 HydrophobicContact CZ-CD 3.66Å; F107-K111 HydrophobicContact CZ-CG 4.44Å; F107-K111 WeakPolarHBondContact O-CB 3.22Å; F107-K111 PolarHBondContact O-N 3.12Å
108V97.6Very high94.1Very high0 Ų053.5 Ų53.50%027%0.274CS..Hα-helixtrans-63.7-51-179.8174.20000110.5C58 T60 D65 P66 M70 W74 N106 K110 K111 L112C58-V108 HydrophobicContact CB-CG1 4.07Å; T60-V108 HydrophobicContact CG2-CG2 4.02Å; T60-V108 PolarHBondContact OG1-N 2.77Å; D65-V108 WeakPolarHBondContact O-CG2 3.45Å; P66-V108 HydrophobicContact CB-CG1 4.37Å; P66-V108 HydrophobicContact CB-CG2 4.32Å; M70-V108 HydrophobicContact CE-CG1 4.12Å; M70-V108 HydrophobicContact SD-CG1 3.65Å; W74-V108 HydrophobicContact CE3-CG1 4.28Å; W74-V108 HydrophobicContact CH2-CG1 4.27Å; W74-V108 HydrophobicContact CZ3-CB 4.41Å; W74-V108 HydrophobicContact CZ3-CG1 3.66Å; N106-V108 VanDerWaalsContact C-N 3.3Å; N106-V108 PolarHBondContact O-N 2.87Å; V108-K110 PolarHBondContact O-N 3.16Å; V108-K111 PolarHBondContact O-N 3.42Å; V108-L112 VanDerWaalsContact O-CB 3.28Å; V108-L112 WeakPolarHBondContact O-CB 3.38Å; V108-L112 PolarHBondContact O-N 2.89Å
109A98Very high94.2Very high0 Ų053 Ų530%027%0.269CS..Hα-helixtrans-62.2-45179.300000112.3V94 G96 N106 K111 L112 Q113 V127V94-A109 HydrophobicContact CG1-CB 4.02Å; G96-A109 VanDerWaalsContact CA-CB 3.4Å; N106-A109 PolarHBondContact O-N 2.96Å; A109-K111 VanDerWaalsContact C-N 3.33Å; A109-K111 PolarHBondContact O-N 3.38Å; A109-L112 PolarHBondContact O-N 2.81Å; A109-Q113 WeakPolarHBondContact O-CB 3.38Å; A109-Q113 PolarHBondContact O-N 2.91Å; A109-V127 HydrophobicContact CB-CG2 4.27Å
110K98.1Very high94.5Very high72 Ų7253 Ų5331%0.31328%0.276SS..Hα-helixtrans-59-42.9176.8-71169.8-179.6168.90112.1F105 N106 V108 K114 L129F105-K110 WeakPolarHBondContact O-CE 3.27Å; F105-K110 PolarHBondContact O-NZ 3.05Å; N106-K110 WeakPolarHBondContact O-CG 3.24Å; N106-K110 PolarHBondContact O-N 3.47Å; N106-K110 VanDerWaalsContact O-N 3.08Å; V108-K110 PolarHBondContact O-N 3.16Å; K110-K114 WeakPolarHBondContact O-CG 3.43Å; K110-K114 PolarHBondContact O-N 3.11Å; K110-L129 HydrophobicContact CG-CD2 3.89Å
111K98.1Very high94.8Very high87 Ų8750.4 Ų50.438%0.37826%0.258SS..Hα-helixtrans-72.9-40.8178.3-91.1-167.9169.9-177.90112.4W74 F78 F107 V108 A109 K114 R115W74-K111 HydrophobicContact CH2-CB 3.58Å; W74-K111 HydrophobicContact CH2-CD 4.2Å; W74-K111 HydrophobicContact CZ2-CB 4.21Å; W74-K111 HydrophobicContact CZ2-CD 4.04Å; F78-K111 HydrophobicContact CZ-CB 4.1Å; F107-K111 HydrophobicContact CD1-CD 4.07Å; F107-K111 HydrophobicContact CE1-CD 3.53Å; F107-K111 HydrophobicContact CE1-CG 4.43Å; F107-K111 HydrophobicContact CE2-CD 4.24Å; F107-K111 HydrophobicContact CZ-CD 3.66Å; F107-K111 HydrophobicContact CZ-CG 4.44Å; F107-K111 WeakPolarHBondContact O-CB 3.22Å; F107-K111 PolarHBondContact O-N 3.12Å; V108-K111 PolarHBondContact O-N 3.42Å; A109-K111 VanDerWaalsContact C-N 3.33Å; A109-K111 PolarHBondContact O-N 3.38Å; K111-K114 PolarHBondContact O-N 3.13Å; K111-R115 WeakPolarHBondContact O-CB 3.46Å; K111-R115 PolarHBondContact O-N 2.87Å
112L98.1Very high95.5Very high0 Ų048.7 Ų48.70%025%0.249CC..Hα-helixtrans-59.3-50.4177.2178.761.9000110.5F56 M70 F73 W74 L77 V94 V108 A109 K114 R115 L116F56-L112 HydrophobicContact CB-CD2 3.77Å; F56-L112 HydrophobicContact CD1-CD2 4.08Å; F56-L112 HydrophobicContact CG-CD2 3.96Å; M70-L112 HydrophobicContact CE-CD1 4.19Å; M70-L112 HydrophobicContact CE-CD2 3.82Å; M70-L112 HydrophobicContact CE-CG 4.45Å; F73-L112 HydrophobicContact CE1-CD1 4.32Å; W74-L112 HydrophobicContact CZ3-CB 4.23Å; L77-L112 HydrophobicContact CD2-CD1 3.45Å; L77-L112 VanDerWaalsContact CD2-CD1 3.45Å; V94-L112 HydrophobicContact CG1-CD2 4.32Å; V108-L112 VanDerWaalsContact O-CB 3.28Å; V108-L112 WeakPolarHBondContact O-CB 3.38Å; V108-L112 PolarHBondContact O-N 2.89Å; A109-L112 PolarHBondContact O-N 2.81Å; L112-K114 PolarHBondContact O-N 3.21Å; L112-R115 PolarHBondContact O-N 3.2Å; L112-L116 HydrophobicContact CD1-CD1 4.16Å; L112-L116 HydrophobicContact CD1-CG 4.17Å; L112-L116 HydrophobicContact CG-CD1 3.9Å; L112-L116 HydrophobicContact CG-CG 4.36Å; L112-L116 WeakPolarHBondContact O-CG 3.48Å; L112-L116 PolarHBondContact O-N 3Å
113Q98Very high96.2Very high49 Ų4948.2 Ų48.223%0.22925%0.249CC..Hα-helixtrans-56.9-49178.3177.9-95.4-16.500111.8V94 A109 R115 L116 V117 M123 V127V94-Q113 HydrophobicContact CB-CB 4.33Å; V94-Q113 HydrophobicContact CG2-CB 4.08Å; A109-Q113 WeakPolarHBondContact O-CB 3.38Å; A109-Q113 PolarHBondContact O-N 2.91Å; Q113-R115 VanDerWaalsContact C-N 3.26Å; Q113-R115 PolarHBondContact O-N 3.43Å; Q113-L116 PolarHBondContact O-N 3.38Å; Q113-V117 WeakPolarHBondContact O-CG2 3.43Å; Q113-V117 PolarHBondContact O-N 3.41Å; Q113-V117 VanDerWaalsContact O-N 3.09Å; Q113-M123 HydrophobicContact CG-CG 4.34Å; Q113-M123 HydrophobicContact CG-SD 3.7Å; Q113-V127 HydrophobicContact CB-CB 4.47Å; Q113-V127 HydrophobicContact CG-CB 4.27Å
114K97.8Very high97Very high135 Ų13543.4 Ų43.459%0.58722%0.217SC*.Hα-helixtrans-56.7-41.4174.9-73.7178.1-178.8-1740112.2K110 K111 L112 Q118K110-K114 WeakPolarHBondContact O-CG 3.43Å; K110-K114 PolarHBondContact O-N 3.11Å; K111-K114 PolarHBondContact O-N 3.13Å; L112-K114 PolarHBondContact O-N 3.21Å; K114-Q118 VanDerWaalsContact O-CG 3.25Å; K114-Q118 WeakPolarHBondContact O-CG 3.29Å; K114-Q118 PolarHBondContact O-N 2.96Å
115R97.8Very high97.4Very high29 Ų2939.7 Ų39.711%0.10920%0.202CC..Hα-helixtrans-70.8-38.9-178.7-176.355.7178.8164.45.1112.5L77 F78 R79 K111 L112 Q113 Q118 L119L77-R115 HydrophobicContact CD2-CG 4.26Å; L77-R115 HydrophobicContact CG-CG 4.11Å; L77-R115 PolarHBondContact O-NE 3.37Å; L77-R115 PolarHBondContact O-NH2 3.4Å; F78-R115 HydrophobicContact CD1-CG 4.31Å; F78-R115 HydrophobicContact CD2-CG 4.25Å; F78-R115 HydrophobicContact CE1-CB 3.95Å; F78-R115 HydrophobicContact CE1-CG 4.11Å; F78-R115 HydrophobicContact CE2-CB 4.02Å; F78-R115 HydrophobicContact CE2-CG 4.06Å; F78-R115 HydrophobicContact CG-CG 4.38Å; F78-R115 HydrophobicContact CZ-CB 3.6Å; F78-R115 HydrophobicContact CZ-CG 3.99Å; R79-R115 PolarHBondContact O-NH2 3.27Å; K111-R115 WeakPolarHBondContact O-CB 3.46Å; K111-R115 PolarHBondContact O-N 2.87Å; L112-R115 PolarHBondContact O-N 3.2Å; Q113-R115 VanDerWaalsContact C-N 3.26Å; Q113-R115 PolarHBondContact O-N 3.43Å; R115-Q118 WeakPolarHBondContact O-CB 3.33Å; R115-Q118 PolarHBondContact O-N 3.1Å; R115-L119 HydrophobicContact CG-CD1 4.32Å; R115-L119 WeakPolarHBondContact O-CG 3.48Å; R115-L119 PolarHBondContact O-N 2.75Å; R115-L119 VanDerWaalsContact O-N 3.16Å
116L98.1Very high97.6Very high0 Ų042.6 Ų42.60%023%0.226CC..Hα-helixtrans-61.7-45.4175.5-70.8168.4000111.1F56 L77 L87 V94 L112 Q113 Q118 L119 G120 A121 M123F56-L116 HydrophobicContact CD2-CD1 3.67Å; F56-L116 HydrophobicContact CE2-CD1 3.61Å; F56-L116 HydrophobicContact CE2-CD2 4.03Å; F56-L116 HydrophobicContact CE2-CG 4.49Å; F56-L116 HydrophobicContact CG-CD1 4.42Å; F56-L116 HydrophobicContact CZ-CD1 4.32Å; F56-L116 HydrophobicContact CZ-CD2 4.11Å; L77-L116 HydrophobicContact CD2-CD2 4.13Å; L87-L116 HydrophobicContact CD1-CD2 3.77Å; V94-L116 HydrophobicContact CG2-CD1 3.8Å; L112-L116 HydrophobicContact CD1-CD1 4.16Å; L112-L116 HydrophobicContact CD1-CG 4.17Å; L112-L116 HydrophobicContact CG-CD1 3.9Å; L112-L116 HydrophobicContact CG-CG 4.36Å; L112-L116 WeakPolarHBondContact O-CG 3.48Å; L112-L116 PolarHBondContact O-N 3Å; Q113-L116 PolarHBondContact O-N 3.38Å; L116-Q118 VanDerWaalsContact C-N 3.35Å; L116-Q118 PolarHBondContact O-N 2.94Å; L116-L119 CarbonylContact O-C 3.55Å; L116-L119 PolarHBondContact O-N 3.5Å; L116-G120 PolarHBondContact O-N 3.4Å; L116-A121 HydrophobicContact CB-CB 4.12Å; L116-A121 WeakPolarHBondContact O-CB 3.26Å; L116-A121 PolarHBondContact O-N 3.48Å; L116-A121 VanDerWaalsContact O-N 3.07Å; L116-M123 HydrophobicContact CB-CE 4.01Å
117V97.6Very high97.7Very high72 Ų7244.3 Ų44.344%0.43624%0.236SC..Hα-helixtrans-61.8-41.6175.2173.90000111.6Q113 L119 G120 M123Q113-V117 WeakPolarHBondContact O-CG2 3.43Å; Q113-V117 PolarHBondContact O-N 3.41Å; Q113-V117 VanDerWaalsContact O-N 3.09Å; V117-L119 PolarHBondContact O-N 3.19Å; V117-G120 PolarHBondContact O-N 2.78Å; V117-M123 HydrophobicContact CG2-CE 4.09Å; V117-M123 HydrophobicContact CG2-CG 3.65Å; V117-M123 HydrophobicContact CG2-SD 4.3Å
118Q97.2Very high97.7Very high115 Ų11541.7 Ų41.754%0.53723%0.225SC..Hα-helixtrans-61.8-22.3174.7-75.9171.40.300114A84 K114 R115 L116A84-Q118 WeakPolarHBondContact CA-O 3.33Å; K114-Q118 VanDerWaalsContact O-CG 3.25Å; K114-Q118 WeakPolarHBondContact O-CG 3.29Å; K114-Q118 PolarHBondContact O-N 2.96Å; R115-Q118 WeakPolarHBondContact O-CB 3.33Å; R115-Q118 PolarHBondContact O-N 3.1Å; L116-Q118 VanDerWaalsContact C-N 3.35Å; L116-Q118 PolarHBondContact O-N 2.94Å
119L97.7Very high97.8Very high2 Ų244.2 Ų44.21%0.0124%0.239CC..THydrogen-bonded Turntrans-95.93.3177.2-67.3173.3000112.5L77 L82 P83 A84 G85 S86 L87 R115 L116 V117L77-L119 HydrophobicContact CD1-CD1 3.53Å; L77-L119 HydrophobicContact CG-CD1 4Å; L82-L119 HydrophobicContact CB-CD2 3.76Å; L82-L119 HydrophobicContact CD1-CD1 4.37Å; P83-L119 WeakPolarHBondContact O-CD2 3.38Å; A84-L119 CarbonylContact C-O 3.54Å; A84-L119 CarbonylContact O-C 2.87Å; A84-L119 WeakPolarHBondContact O-CA 3.48Å; A84-L119 VanDerWaalsContact O-O 3.1Å; G85-L119 CarbonylContact C-O 3.59Å; G85-L119 VanDerWaalsContact C-O 3.24Å; G85-L119 WeakPolarHBondContact CA-O 3.44Å; S86-L119 PolarHBondContact N-O 3.24Å; S86-L119 VanDerWaalsContact N-O 3.13Å; L87-L119 HydrophobicContact CB-CB 4.3Å; L87-L119 HydrophobicContact CD1-CB 3.89Å; L87-L119 HydrophobicContact CD1-CD1 4.02Å; L87-L119 HydrophobicContact CG-CB 4.03Å; L87-L119 PolarHBondContact N-O 2.96Å; R115-L119 HydrophobicContact CG-CD1 4.32Å; R115-L119 WeakPolarHBondContact O-CG 3.48Å; R115-L119 PolarHBondContact O-N 2.75Å; R115-L119 VanDerWaalsContact O-N 3.16Å; L116-L119 CarbonylContact O-C 3.55Å; L116-L119 PolarHBondContact O-N 3.5Å; V117-L119 PolarHBondContact O-N 3.19Å
120G97.4Very high97.7Very high31 Ų3144.2 Ų44.232%0.3224%0.239SC..THydrogen-bonded Turntrans100.5-0.2172.900000115.2A84 L87 S88 L116 V117A84-G120 PolarHBondContact O-N 3.33Å; A84-G120 VanDerWaalsContact O-N 3.11Å; L87-G120 CarbonylContact O-C 3.6Å; S88-G120 WeakPolarHBondContact CA-O 3.5Å; L116-G120 PolarHBondContact O-N 3.4Å; V117-G120 PolarHBondContact O-N 2.78Å
121A97.7Very high97.5Very high7 Ų742.1 Ų42.16%0.05823%0.231CC..PPolyproline II helixtrans-68.9140.7-178.200000112.3L87 L90 L116 M123L87-A121 HydrophobicContact CB-CB 4.01Å; L87-A121 VanDerWaalsContact O-CA 3.25Å; L87-A121 WeakPolarHBondContact O-CA 3.42Å; L87-A121 PolarHBondContact O-N 2.83Å; L90-A121 HydrophobicContact CB-CB 4.26Å; L90-A121 HydrophobicContact CD2-CB 4.17Å; L90-A121 HydrophobicContact CG-CB 4.28Å; L90-A121 WeakPolarHBondContact O-CA 3.42Å; L116-A121 HydrophobicContact CB-CB 4.12Å; L116-A121 WeakPolarHBondContact O-CB 3.26Å; L116-A121 PolarHBondContact O-N 3.48Å; L116-A121 VanDerWaalsContact O-N 3.07Å; A121-M123 HydrophobicContact CB-CE 4.2Å
122A96.7Very high97.2Very high43 Ų4342.7 Ų42.736%0.35524%0.238SC..EExtended strand (participates in β ladder)trans-87.7124.317700000110.6L90 D91 C92L90-A122 PolarHBondContact O-N 3.12Å; D91-A122 WeakPolarHBondContact OD1-CB 3.28Å; C92-A122 PolarHBondContact N-O 3.38Å
123M97.7Very high96.7Very high54 Ų5447.4 Ų47.427%0.26626%0.26SS..EExtended strand (participates in β ladder)trans-83119.1175.5-64.9-64.4102.800110.2C92 V94 Q113 L116 V117 A121C92-M123 WeakPolarHBondContact O-CA 3.33Å; C92-M123 WeakPolarHBondContact SG-CE 3.34Å; V94-M123 HydrophobicContact CG2-SD 4.45Å; Q113-M123 HydrophobicContact CG-CG 4.34Å; Q113-M123 HydrophobicContact CG-SD 3.7Å; L116-M123 HydrophobicContact CB-CE 4.01Å; V117-M123 HydrophobicContact CG2-CE 4.09Å; V117-M123 HydrophobicContact CG2-CG 3.65Å; V117-M123 HydrophobicContact CG2-SD 4.3Å; A121-M123 HydrophobicContact CB-CE 4.2Å
124L96.9Very high96.2Very high17 Ų1749.2 Ų49.29%0.08927%0.268CS..SBendtrans-71.5-39.1178.6-67.1-173.9000112.9L53 D91 C92 F149 K152 V153 L156L53-L124 HydrophobicContact CD1-CD1 3.45Å; L53-L124 VanDerWaalsContact CD1-CD1 3.45Å; D91-L124 HydrophobicContact CB-CD1 4.21Å; D91-L124 HydrophobicContact CB-CD2 3.85Å; D91-L124 HydrophobicContact CB-CG 4.08Å; C92-L124 PolarHBondContact O-N 3.19Å; L124-F149 HydrophobicContact CD1-CE2 4.06Å; L124-K152 HydrophobicContact CB-CG 4.23Å; L124-K152 HydrophobicContact CD2-CG 4.38Å; L124-V153 HydrophobicContact CD1-CG2 4.27Å; L124-L156 HydrophobicContact CD2-CD1 3.3Å
125V97.9Very high95.4Very high13 Ų1349.7 Ų49.78%0.07928%0.277CS..SBendtrans-138.9158.4-179.4-67.80000109.7A93 W145 F149 K152A93-V125 HydrophobicContact CB-CG2 3.87Å; V125-W145 HydrophobicContact CG2-CZ2 3.74Å; V125-F149 HydrophobicContact CG2-CB 4.44Å; V125-K152 HydrophobicContact CG1-CB 4.44Å
126P97.9Very high94.5Very high111 Ų11151.5 Ų51.572%0.72129%0.289SS*.PPolyproline II helixtrans-54151.7170-25.435.4000112.1G128 W145P126-G128 PolarHBondContact O-N 3.07Å; P126-W145 PolarHBondContact O-NE1 2.89Å
127V98Very high93.9Very high37 Ų3752.2 Ų52.222%0.22430%0.296CS..PPolyproline II helixtrans-59.2125.2176.459.60000110.1V94 A109 Q113 L129V94-V127 HydrophobicContact CB-CG2 4.15Å; V94-V127 HydrophobicContact CG1-CG2 4.08Å; V94-V127 WeakPolarHBondContact O-CA 3.49Å; A109-V127 HydrophobicContact CB-CG2 4.27Å; Q113-V127 HydrophobicContact CB-CB 4.47Å; Q113-V127 HydrophobicContact CG-CB 4.27Å; V127-L129 HydrophobicContact CG1-CD2 4.06Å; V127-L129 HydrophobicContact CG1-CG 4.29Å; V127-L129 HydrophobicContact CG2-CD2 3.84Å
128G98.1Very high93.6Very high2 Ų250 Ų502%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-75.6127.7172.700000109.4V94 G96 P126 W145V94-G128 PolarHBondContact O-N 3.18Å; G96-G128 WeakPolarHBondContact CA-O 3.42Å; G96-G128 PolarHBondContact N-O 3.18Å; P126-G128 PolarHBondContact O-N 3.07Å; G128-W145 VanDerWaalsContact CA-CD1 3.5Å
129L98.1Very high93.3Very high53 Ų5345.8 Ų45.828%0.27726%0.264SS..EExtended strand (participates in β ladder)trans-118.273.4-179.4-57.1178.3000109.5F105 N106 K110 V127F105-L129 HydrophobicContact CE1-CB 4.28Å; F105-L129 HydrophobicContact CZ-CB 4.37Å; N106-L129 HydrophobicContact CB-CB 4.48Å; N106-L129 HydrophobicContact CB-CD2 3.67Å; K110-L129 HydrophobicContact CG-CD2 3.89Å; V127-L129 HydrophobicContact CG1-CD2 4.06Å; V127-L129 HydrophobicContact CG1-CG 4.29Å; V127-L129 HydrophobicContact CG2-CD2 3.84Å
130A97.2Very high92.9Very high0 Ų047 Ų470%027%0.274CS..EExtended strand (participates in β ladder)trans-67.6143.3-179.700000111.2G96 G98 N106 P138 V141 I142G96-A130 VanDerWaalsContact O-CB 3.29Å; G96-A130 WeakPolarHBondContact O-CB 3.47Å; G96-A130 PolarHBondContact O-N 3.25Å; G98-A130 PolarHBondContact N-O 3.16Å; N106-A130 PolarHBondContact ND2-O 3.34Å; A130-P138 HydrophobicContact CB-CB 3.87Å; A130-P138 WeakPolarHBondContact CB-O 3.37Å; A130-V141 HydrophobicContact CB-CB 4.15Å; A130-I142 HydrophobicContact CB-CD1 4.48Å; A130-I142 HydrophobicContact CB-CG1 4.07Å
131D94.6Very high92.8Very high28 Ų2847.7 Ų47.715%0.1527%0.272CS..EExtended strand (participates in β ladder)trans-124.8121.7-175.5-170.76.3000111.1G98 D99 S100 F105 Q133 H134 G137G98-D131 WeakPolarHBondContact O-CA 3.29Å; D99-D131 WeakPolarHBondContact CA-OD1 3.46Å; S100-D131 WeakPolarHBondContact CB-OD2 3.43Å; S100-D131 PolarHBondContact N-OD1 3.47Å; S100-D131 PolarHBondContact OG-OD1 3.04Å; S100-D131 PolarHBondContact OG-OD2 2.77Å; F105-D131 HydrophobicContact CE2-CB 3.86Å; F105-D131 HydrophobicContact CZ-CB 3.91Å; D131-Q133 PolarHBondContact O-N 2.88Å; D131-Q133 PolarHBondContact OD1-N 3.07Å; D131-H134 HydrophobicContact CB-CB 4.34Å; D131-H134 WeakPolarHBondContact O-CB 3.4Å; D131-H134 PolarHBondContact O-N 2.78Å; D131-G137 CarbonylContact O-C 3.5Å
132D90.6Very high92.7Very high98 Ų9847.4 Ų47.452%0.52427%0.27SS..THydrogen-bonded Turntrans-68-20.8176-15452.2000112.5G98 D99G98-D132 PolarHBondContact O-N 2.82Å; D99-D132 HydrophobicContact CB-CB 4.33Å
133Q88.3Confident92.5Very high100 Ų10046.9 Ų46.947%0.46726%0.261SS..THydrogen-bonded Turntrans-85.7-7.2177.8-59.1-60.7-46.700113.6D99 D131D99-Q133 VanDerWaalsContact CG-NE2 3.28Å; D99-Q133 WeakPolarHBondContact OD1-CG 3.44Å; D99-Q133 PolarHBondContact OD1-NE2 3.16Å; D99-Q133 VanDerWaalsContact OD1-NE2 3.17Å; D99-Q133 PolarHBondContact OD2-NE2 3.41Å; D131-Q133 PolarHBondContact O-N 2.88Å; D131-Q133 PolarHBondContact OD1-N 3.07Å
134H88Confident92.4Very high87 Ų8747.3 Ų47.340%0.40327%0.268SS..SBendtrans-65.2145.4178.4-170.3-84.2000110.2D131 L136 G137 A140D131-H134 HydrophobicContact CB-CB 4.34Å; D131-H134 WeakPolarHBondContact O-CB 3.4Å; D131-H134 PolarHBondContact O-N 2.78Å; H134-L136 PolarHBondContact ND1-N 2.71Å; H134-L136 PolarHBondContact O-N 2.82Å; H134-G137 WeakPolarHBondContact O-CA 3.17Å; H134-G137 PolarHBondContact O-N 2.89Å; H134-A140 VanDerWaalsContact CE1-CB 3.41Å; H134-A140 WeakPolarHBondContact CE1-CB 3.38Å; H134-A140 VanDerWaalsContact ND1-CB 3.29Å; H134-A140 WeakPolarHBondContact ND1-CB 3.39Å
135D80.5Confident92.5Very high144 Ų14447.4 Ų47.477%0.7727%0.267SS*.THydrogen-bonded Turntrans-58.3-38.5-178.3-75.4-28.3000112.3G137 Q340D135-G137 VanDerWaalsContact C-N 3.3Å; D135-Q340 PolarHBondContact O-NE2 3.47Å
136L78.1Confident92.4Very high68 Ų6847 Ų4736%0.35626%0.264SS..THydrogen-bonded Turntrans-81.7-5.5173.6-57.6180000112.8H134 A140 R336H134-L136 PolarHBondContact ND1-N 2.71Å; H134-L136 PolarHBondContact O-N 2.82Å; L136-A140 HydrophobicContact CB-CB 4.09Å; L136-R336 HydrophobicContact CD2-CG 4.31Å; L136-R336 PolarHBondContact O-NE 3.17Å; L136-R336 PolarHBondContact O-NH2 2.55Å
137G86.1Confident92.3Very high14 Ų1447.3 Ų47.314%0.14426%0.256CS..  trans73.9-167.8-172.600000113.1D131 H134 D135 D139 A140D131-G137 CarbonylContact O-C 3.5Å; H134-G137 WeakPolarHBondContact O-CA 3.17Å; H134-G137 PolarHBondContact O-N 2.89Å; D135-G137 VanDerWaalsContact C-N 3.3Å; G137-D139 VanDerWaalsContact C-N 3.31Å; G137-D139 PolarHBondContact O-N 3.43Å; G137-A140 WeakPolarHBondContact O-CB 3.5Å; G137-A140 PolarHBondContact O-N 3.28Å; G137-A140 VanDerWaalsContact O-N 3.17Å
138P91.1Very high92.3Very high25 Ų2548.2 Ų48.216%0.16226%0.264CS..THydrogen-bonded Turntrans-64.3-30.4-167.924.6-34.8000113.8A130 A140 V141 I142A130-P138 HydrophobicContact CB-CB 3.87Å; A130-P138 WeakPolarHBondContact CB-O 3.37Å; P138-A140 PolarHBondContact O-N 3.49Å; P138-A140 VanDerWaalsContact O-N 3.15Å; P138-V141 PolarHBondContact O-N 3.36Å; P138-V141 VanDerWaalsContact O-N 3.08Å; P138-I142 HydrophobicContact CB-CD1 3.96Å; P138-I142 WeakPolarHBondContact O-CG1 3.49Å; P138-I142 PolarHBondContact O-N 3.37Å
139D89.8Confident92.2Very high27 Ų2748.1 Ų48.114%0.14426%0.263CS..Hα-helixtrans-73.2-1.8179.8-19-114.2000115.7R23 G137 V141 I142 D143 R336R23-D139 IonicContact NH1-OD1 3.61Å; R23-D139 PolarHBondContact NH1-OD1 3.19Å; G137-D139 VanDerWaalsContact C-N 3.31Å; G137-D139 PolarHBondContact O-N 3.43Å; D139-V141 PolarHBondContact O-N 2.99Å; D139-I142 HydrophobicContact CB-CB 3.97Å; D139-I142 HydrophobicContact CB-CD1 4.43Å; D139-I142 PolarHBondContact O-N 3.17Å; D139-D143 WeakPolarHBondContact O-CB 3.25Å; D139-D143 PolarHBondContact O-N 3.26Å; D139-D143 VanDerWaalsContact O-N 3.08Å; D139-R336 VanDerWaalsContact CA-NH2 3.3Å; D139-R336 IonicContact OD2-CZ 3.56Å; D139-R336 IonicContact OD2-NH1 2.87Å; D139-R336 IonicContact OD2-NH2 3.45Å; D139-R336 PolarHBondContact OD2-NH2 3.1Å
140A90.2Very high92.1Very high27 Ų2746 Ų4622%0.22325%0.252CS..Hα-helixtrans-54.3-32.3162.300000112H134 L136 G137 P138 P144H134-A140 VanDerWaalsContact CE1-CB 3.41Å; H134-A140 WeakPolarHBondContact CE1-CB 3.38Å; H134-A140 VanDerWaalsContact ND1-CB 3.29Å; H134-A140 WeakPolarHBondContact ND1-CB 3.39Å; L136-A140 HydrophobicContact CB-CB 4.09Å; G137-A140 WeakPolarHBondContact O-CB 3.5Å; G137-A140 PolarHBondContact O-N 3.28Å; G137-A140 VanDerWaalsContact O-N 3.17Å; P138-A140 PolarHBondContact O-N 3.49Å; P138-A140 VanDerWaalsContact O-N 3.15Å; A140-P144 WeakPolarHBondContact O-CD 3.24Å; A140-P144 VanDerWaalsContact O-CG 3.32Å; A140-P144 WeakPolarHBondContact O-CG 3.15Å
141V95.5Very high92Very high46 Ų4650.9 Ų50.928%0.27927%0.274SS..Hα-helixtrans-100.4-40.3175.7177.60000111.1A130 P138 D139 D143 P144 W145A130-V141 HydrophobicContact CB-CB 4.15Å; P138-V141 PolarHBondContact O-N 3.36Å; P138-V141 VanDerWaalsContact O-N 3.08Å; D139-V141 PolarHBondContact O-N 2.99Å; V141-D143 PolarHBondContact O-N 3.11Å; V141-P144 WeakPolarHBondContact O-CD 3.46Å; V141-P144 WeakPolarHBondContact O-CG 3.32Å; V141-W145 WeakPolarHBondContact O-CB 3.48Å; V141-W145 PolarHBondContact O-N 3.24Å; V141-W145 VanDerWaalsContact O-N 3.08Å
142I95.1Very high92Very high1 Ų153.8 Ų53.81%0.00529%0.285CS..Hα-helixtrans-61.4-45.8-174.8-56.8168.3000111.3T20 L95 A130 P138 D139 W145 L146T20-I142 HydrophobicContact CG2-CD1 3.99Å; T20-I142 HydrophobicContact CG2-CG2 4.08Å; L95-I142 HydrophobicContact CD1-CG1 4.31Å; L95-I142 HydrophobicContact CD2-CG1 4.14Å; L95-I142 HydrophobicContact CD2-CG2 4.04Å; A130-I142 HydrophobicContact CB-CD1 4.48Å; A130-I142 HydrophobicContact CB-CG1 4.07Å; P138-I142 HydrophobicContact CB-CD1 3.96Å; P138-I142 WeakPolarHBondContact O-CG1 3.49Å; P138-I142 PolarHBondContact O-N 3.37Å; D139-I142 HydrophobicContact CB-CB 3.97Å; D139-I142 HydrophobicContact CB-CD1 4.43Å; D139-I142 PolarHBondContact O-N 3.17Å; I142-W145 PolarHBondContact O-N 2.8Å; I142-L146 HydrophobicContact CG2-CD1 3.59Å; I142-L146 HydrophobicContact CG2-CG 3.93Å; I142-L146 WeakPolarHBondContact O-CB 3.24Å; I142-L146 VanDerWaalsContact O-CG 3.24Å; I142-L146 WeakPolarHBondContact O-CG 3.27Å; I142-L146 PolarHBondContact O-N 3.31Å
143D93.1Very high92.1Very high32 Ų3249.1 Ų49.117%0.17126%0.261CS..Hα-helixtrans-61.7-56.5-175.8-69.6-22.8000113.2R23 D139 V141 W145 L146 Q147 R308 R336R23-D143 IonicContact CZ-OD1 3.39Å; R23-D143 VanDerWaalsContact CZ-OD1 3.28Å; R23-D143 IonicContact NH1-OD1 3.82Å; R23-D143 PolarHBondContact NH1-OD1 3.24Å; R23-D143 IonicContact NH2-OD1 2.74Å; R23-D143 PolarHBondContact NH2-OD1 3.09Å; D139-D143 WeakPolarHBondContact O-CB 3.25Å; D139-D143 PolarHBondContact O-N 3.26Å; D139-D143 VanDerWaalsContact O-N 3.08Å; V141-D143 PolarHBondContact O-N 3.11Å; D143-W145 VanDerWaalsContact C-N 3.26Å; D143-W145 PolarHBondContact O-N 2.78Å; D143-L146 PolarHBondContact O-N 3.08Å; D143-Q147 PolarHBondContact O-N 3.17Å; D143-R308 VanDerWaalsContact CG-NH1 3.32Å; D143-R308 IonicContact OD1-CZ 3.49Å; D143-R308 IonicContact OD1-NH1 3.68Å; D143-R308 PolarHBondContact OD1-NH1 3.02Å; D143-R308 VanDerWaalsContact OD1-NH1 3.12Å; D143-R308 IonicContact OD1-NH2 2.66Å; D143-R308 IonicContact OD2-CZ 2.67Å; D143-R308 IonicContact OD2-NH1 3.82Å; D143-R308 PolarHBondContact OD2-NH1 3Å; D143-R308 IonicContact OD2-NH2 3.71Å; D143-R336 IonicContact OD2-NH1 3.51Å; D143-R336 PolarHBondContact OD2-NH1 3.45Å
144P95.6Very high92.2Very high64 Ų6447 Ų4742%0.41625%0.252SS..Hα-helixtrans-64.7-31.9177.624.9-34000112.2A140 V141 Q147 S148A140-P144 WeakPolarHBondContact O-CD 3.24Å; A140-P144 VanDerWaalsContact O-CG 3.32Å; A140-P144 WeakPolarHBondContact O-CG 3.15Å; V141-P144 WeakPolarHBondContact O-CD 3.46Å; V141-P144 WeakPolarHBondContact O-CG 3.32Å; P144-Q147 PolarHBondContact O-N 3.24Å; P144-S148 PolarHBondContact O-N 3.46Å; P144-S148 PolarHBondContact O-OG 3.41Å
145W97.8Very high92.4Very high18 Ų1848 Ų487%0.06826%0.264CS..Hα-helixtrans-65.7-43.1176.3-175.791.4000112.3V55 A93 L95 V125 P126 G128 V141 I142 D143 Q147 S148 F149V55-W145 HydrophobicContact CG1-CH2 4.05Å; A93-W145 HydrophobicContact CB-CH2 3.74Å; A93-W145 HydrophobicContact CB-CZ2 3.6Å; L95-W145 HydrophobicContact CB-CE3 4.35Å; L95-W145 HydrophobicContact CB-CH2 3.94Å; L95-W145 HydrophobicContact CB-CZ2 4.06Å; L95-W145 HydrophobicContact CB-CZ3 4.09Å; L95-W145 HydrophobicContact CD1-CD2 4.03Å; L95-W145 HydrophobicContact CD1-CE3 4.21Å; L95-W145 HydrophobicContact CD1-CG 4.24Å; L95-W145 HydrophobicContact CD2-CE3 4.08Å; L95-W145 HydrophobicContact CD2-CZ3 4.14Å; L95-W145 HydrophobicContact CG-CE3 4.46Å; V125-W145 HydrophobicContact CG2-CZ2 3.74Å; P126-W145 PolarHBondContact O-NE1 2.89Å; G128-W145 VanDerWaalsContact CA-CD1 3.5Å; V141-W145 WeakPolarHBondContact O-CB 3.48Å; V141-W145 PolarHBondContact O-N 3.24Å; V141-W145 VanDerWaalsContact O-N 3.08Å; I142-W145 PolarHBondContact O-N 2.8Å; D143-W145 VanDerWaalsContact C-N 3.26Å; D143-W145 PolarHBondContact O-N 2.78Å; W145-Q147 VanDerWaalsContact C-N 3.32Å; W145-S148 PolarHBondContact O-N 2.76Å; W145-F149 HydrophobicContact CE3-CB 4.46Å; W145-F149 HydrophobicContact CZ3-CB 4.29Å; W145-F149 HydrophobicContact CZ3-CG 4.47Å; W145-F149 WeakPolarHBondContact O-CB 3.42Å; W145-F149 PolarHBondContact O-N 3Å
146L96.6Very high92.7Very high4 Ų443.9 Ų43.92%0.02124%0.242CC..Hα-helixtrans-63.5-40.5175.3-73174.7000111.2V24 I142 D143 F149 W150V24-L146 HydrophobicContact CG2-CD2 3.7Å; I142-L146 HydrophobicContact CG2-CD1 3.59Å; I142-L146 HydrophobicContact CG2-CG 3.93Å; I142-L146 WeakPolarHBondContact O-CB 3.24Å; I142-L146 VanDerWaalsContact O-CG 3.24Å; I142-L146 WeakPolarHBondContact O-CG 3.27Å; I142-L146 PolarHBondContact O-N 3.31Å; D143-L146 PolarHBondContact O-N 3.08Å; L146-F149 PolarHBondContact O-N 2.6Å; L146-W150 PolarHBondContact O-N 3.18Å
147Q95.8Very high93.1Very high119 Ų11941.9 Ų41.956%0.55623%0.23SC*.Hα-helixtrans-57.4-53.9174.4-177.7-178.1-1100110.9D143 P144 W145 F149 W150 E151D143-Q147 PolarHBondContact O-N 3.17Å; P144-Q147 PolarHBondContact O-N 3.24Å; W145-Q147 VanDerWaalsContact C-N 3.32Å; Q147-F149 VanDerWaalsContact C-N 3.29Å; Q147-F149 PolarHBondContact O-N 3.23Å; Q147-W150 PolarHBondContact O-N 2.91Å; Q147-E151 WeakPolarHBondContact CG-OE1 3.43Å; Q147-E151 PolarHBondContact NE2-OE1 2.93Å; Q147-E151 WeakPolarHBondContact O-CG 3.48Å; Q147-E151 PolarHBondContact O-N 2.9Å
148S97.6Very high93Very high56 Ų5644.8 Ų44.839%0.39225%0.246SC..Hα-helixtrans-60.9-37.4178.3-61.50000112.9P144 W145 K152P144-S148 PolarHBondContact O-N 3.46Å; P144-S148 PolarHBondContact O-OG 3.41Å; W145-S148 PolarHBondContact O-N 2.76Å; S148-K152 WeakPolarHBondContact O-CB 3.38Å; S148-K152 PolarHBondContact O-N 2.86Å; S148-K152 VanDerWaalsContact O-N 3.1Å
149F97.4Very high92.6Very high0 Ų046 Ų460%025%0.253CS..Hα-helixtrans-61.5-50.1175.9169.7-102.2000111.3L6 V55 A93 L124 V125 W145 L146 Q147 K152 V153L6-F149 HydrophobicContact CD1-CZ 4.32Å; V55-F149 HydrophobicContact CG2-CD2 4.33Å; V55-F149 HydrophobicContact CG2-CE1 4.04Å; V55-F149 HydrophobicContact CG2-CE2 3.48Å; V55-F149 VanDerWaalsContact CG2-CE2 3.48Å; V55-F149 HydrophobicContact CG2-CZ 3.31Å; A93-F149 HydrophobicContact CB-CD2 3.76Å; A93-F149 HydrophobicContact CB-CE2 3.94Å; L124-F149 HydrophobicContact CD1-CE2 4.06Å; V125-F149 HydrophobicContact CG2-CB 4.44Å; W145-F149 HydrophobicContact CE3-CB 4.46Å; W145-F149 HydrophobicContact CZ3-CB 4.29Å; W145-F149 HydrophobicContact CZ3-CG 4.47Å; W145-F149 WeakPolarHBondContact O-CB 3.42Å; W145-F149 PolarHBondContact O-N 3Å; L146-F149 PolarHBondContact O-N 2.6Å; Q147-F149 VanDerWaalsContact C-N 3.29Å; Q147-F149 PolarHBondContact O-N 3.23Å; F149-K152 PolarHBondContact O-N 2.82Å; F149-V153 HydrophobicContact CD1-CG2 4.45Å; F149-V153 HydrophobicContact CD2-CG2 4.25Å; F149-V153 HydrophobicContact CE1-CG2 3.99Å; F149-V153 HydrophobicContact CE2-CG2 3.77Å; F149-V153 HydrophobicContact CZ-CG2 3.62Å; F149-V153 WeakPolarHBondContact O-CG2 3.49Å; F149-V153 PolarHBondContact O-N 3.23Å
150W95.1Very high92.2Very high9 Ų945.5 Ų45.53%0.03425%0.25CS..Hα-helixtrans-67.7-39.4-179.4-71.6120.5000112.8L6 V24 Q27 A28 L33 L146 Q147 K152 V153 L154L6-W150 HydrophobicContact CD2-CH2 3.91Å; V24-W150 HydrophobicContact CG1-CZ2 4.45Å; Q27-W150 HydrophobicContact CB-CZ2 3.74Å; A28-W150 HydrophobicContact CB-CH2 3.68Å; A28-W150 HydrophobicContact CB-CZ2 4.27Å; L33-W150 HydrophobicContact CD2-CH2 4.22Å; L33-W150 HydrophobicContact CD2-CZ3 3.93Å; L146-W150 PolarHBondContact O-N 3.18Å; Q147-W150 PolarHBondContact O-N 2.91Å; W150-K152 VanDerWaalsContact C-N 3.26Å; W150-K152 PolarHBondContact O-N 3.3Å; W150-V153 HydrophobicContact CE3-CB 4.23Å; W150-V153 HydrophobicContact CE3-CG1 4.12Å; W150-V153 HydrophobicContact CZ3-CG1 4.18Å; W150-V153 PolarHBondContact O-N 3.43Å; W150-L154 WeakPolarHBondContact O-CB 3.26Å; W150-L154 VanDerWaalsContact O-CG 3.29Å; W150-L154 WeakPolarHBondContact O-CG 3.34Å; W150-L154 PolarHBondContact O-N 2.96Å
151E94.8Very high91.5Very high101 Ų10148 Ų4847%0.47227%0.266SS..Hα-helixtrans-55-44.7172.3-74.6170.2-177.400110.7Q147 V155Q147-E151 WeakPolarHBondContact CG-OE1 3.43Å; Q147-E151 PolarHBondContact NE2-OE1 2.93Å; Q147-E151 WeakPolarHBondContact O-CG 3.48Å; Q147-E151 PolarHBondContact O-N 2.9Å; E151-V155 WeakPolarHBondContact O-CG2 3.42Å; E151-V155 PolarHBondContact O-N 3Å; E151-V155 VanDerWaalsContact O-N 3.17Å
152K94.9Very high90.8Very high89 Ų8953.6 Ų53.639%0.38729%0.289SS..Hα-helixtrans-67.7-41.8178.3-167.863.8173.6178.80112.9L124 V125 S148 F149 W150 V155 L156L124-K152 HydrophobicContact CB-CG 4.23Å; L124-K152 HydrophobicContact CD2-CG 4.38Å; V125-K152 HydrophobicContact CG1-CB 4.44Å; S148-K152 WeakPolarHBondContact O-CB 3.38Å; S148-K152 PolarHBondContact O-N 2.86Å; S148-K152 VanDerWaalsContact O-N 3.1Å; F149-K152 PolarHBondContact O-N 2.82Å; W150-K152 VanDerWaalsContact C-N 3.26Å; W150-K152 PolarHBondContact O-N 3.3Å; K152-V155 PolarHBondContact O-N 3.07Å; K152-L156 HydrophobicContact CG-CD1 4.27Å; K152-L156 WeakPolarHBondContact O-CG 3.18Å; K152-L156 PolarHBondContact O-N 3.19Å
153V92.8Very high90.2Very high0 Ų056.4 Ų56.40%031%0.306CS..Hα-helixtrans-61.9-43.5177.3165.80000111L53 L124 F149 W150 V155 L156 Y157 L160L53-V153 HydrophobicContact CD2-CG2 4.42Å; L124-V153 HydrophobicContact CD1-CG2 4.27Å; F149-V153 HydrophobicContact CD1-CG2 4.45Å; F149-V153 HydrophobicContact CD2-CG2 4.25Å; F149-V153 HydrophobicContact CE1-CG2 3.99Å; F149-V153 HydrophobicContact CE2-CG2 3.77Å; F149-V153 HydrophobicContact CZ-CG2 3.62Å; F149-V153 WeakPolarHBondContact O-CG2 3.49Å; F149-V153 PolarHBondContact O-N 3.23Å; W150-V153 HydrophobicContact CE3-CB 4.23Å; W150-V153 HydrophobicContact CE3-CG1 4.12Å; W150-V153 HydrophobicContact CZ3-CG1 4.18Å; W150-V153 PolarHBondContact O-N 3.43Å; V153-V155 VanDerWaalsContact C-N 3.31Å; V153-V155 PolarHBondContact O-N 2.89Å; V153-L156 PolarHBondContact O-N 3.28Å; V153-Y157 HydrophobicContact CG1-CD2 4.17Å; V153-Y157 WeakPolarHBondContact O-CD2 3.34Å; V153-Y157 PolarHBondContact O-N 3.44Å; V153-L160 HydrophobicContact CG1-CD1 3.87Å
154L90.6Very high89.8Confident57 Ų5762.7 Ų62.730%0.29834%0.335SS..Hα-helixtrans-65-34.9178.1-69.3172.4000112.2W150 Y157 P158 L160W150-L154 WeakPolarHBondContact O-CB 3.26Å; W150-L154 VanDerWaalsContact O-CG 3.29Å; W150-L154 WeakPolarHBondContact O-CG 3.34Å; W150-L154 PolarHBondContact O-N 2.96Å; L154-Y157 CarbonylContact O-C 3.4Å; L154-P158 WeakPolarHBondContact O-CA 3.42Å; L154-L160 HydrophobicContact CD2-CB 3.81Å
155V91.3Very high89.4Confident106 Ų10663.2 Ų63.264%0.64234%0.338SS*.Hα-helixtrans-67.4-40.8173.8169.90000111.9E151 K152 V153E151-V155 WeakPolarHBondContact O-CG2 3.42Å; E151-V155 PolarHBondContact O-N 3Å; E151-V155 VanDerWaalsContact O-N 3.17Å; K152-V155 PolarHBondContact O-N 3.07Å; V153-V155 VanDerWaalsContact C-N 3.31Å; V153-V155 PolarHBondContact O-N 2.89Å
156L88.5Confident88.9Confident59 Ų5963.7 Ų63.731%0.30934%0.342SS..Hα-helixtrans-75.8-31.3-179.3-71.1174.6000113L124 K152 V153 P158L124-L156 HydrophobicContact CD2-CD1 3.3Å; K152-L156 HydrophobicContact CG-CD1 4.27Å; K152-L156 WeakPolarHBondContact O-CG 3.18Å; K152-L156 PolarHBondContact O-N 3.19Å; V153-L156 PolarHBondContact O-N 3.28Å; L156-P158 VanDerWaalsContact C-CD 3.48Å; L156-P158 WeakPolarHBondContact O-CD 3.37Å
157Y85.9Confident88.3Confident25 Ų2571.4 Ų71.410%0.09837%0.371CS..  trans-126.272.9-179.9-51-73.9000111P4 L53 D91 V153 L154 V159 L160P4-Y157 HydrophobicContact CB-CE1 4.36Å; P4-Y157 VanDerWaalsContact CD-CD1 3.42Å; P4-Y157 HydrophobicContact CG-CD1 3.97Å; P4-Y157 HydrophobicContact CG-CD2 3.9Å; P4-Y157 HydrophobicContact CG-CE1 3.72Å; P4-Y157 HydrophobicContact CG-CE2 3.65Å; P4-Y157 HydrophobicContact CG-CG 4.05Å; L53-Y157 HydrophobicContact CD2-CE2 4.24Å; D91-Y157 PolarHBondContact OD2-OH 2.9Å; V153-Y157 HydrophobicContact CG1-CD2 4.17Å; V153-Y157 WeakPolarHBondContact O-CD2 3.34Å; V153-Y157 PolarHBondContact O-N 3.44Å; L154-Y157 CarbonylContact O-C 3.4Å; Y157-V159 PolarHBondContact O-N 2.55Å; Y157-L160 WeakPolarHBondContact O-CB 3.4Å; Y157-L160 PolarHBondContact O-N 3.41Å
158P83.8Confident87.4Confident76 Ų7672 Ų7249%0.49438%0.378SS..G310 helixtrans-56.9-23.8-176.3-27.135.5000114.8L154 L156 L160 S161L154-P158 WeakPolarHBondContact O-CA 3.42Å; L156-P158 VanDerWaalsContact C-CD 3.48Å; L156-P158 WeakPolarHBondContact O-CD 3.37Å; P158-L160 PolarHBondContact O-N 3.39Å; P158-L160 VanDerWaalsContact O-N 3.14Å; P158-S161 WeakPolarHBondContact O-CA 3.43Å; P158-S161 VanDerWaalsContact O-CB 3.27Å; P158-S161 WeakPolarHBondContact O-CB 3.44Å; P158-S161 PolarHBondContact O-N 3.39Å
159V82.4Confident86.2Confident51 Ų5172.2 Ų72.231%0.30937%0.374SS..G310 helixtrans-56.7-26174.470.20000112.9A3 Y157 S161 E162A3-V159 HydrophobicContact CB-CG1 3.98Å; Y157-V159 PolarHBondContact O-N 2.55Å; V159-S161 VanDerWaalsContact C-N 3.3Å; V159-E162 PolarHBondContact O-N 2.72Å
160L80.8Confident85.6Confident15 Ų1576.1 Ų76.18%0.07939%0.393CS..G310 helixtrans-72.8-23.6175.2-65.1176000112.8A3 L33 V153 L154 Y157 P158 E162A3-L160 HydrophobicContact CB-CD2 3.79Å; A3-L160 HydrophobicContact CB-CG 4.37Å; L33-L160 HydrophobicContact CB-CD2 4.5Å; L33-L160 HydrophobicContact CD1-CD1 3.93Å; L33-L160 HydrophobicContact CD1-CD2 3.83Å; V153-L160 HydrophobicContact CG1-CD1 3.87Å; L154-L160 HydrophobicContact CD2-CB 3.81Å; Y157-L160 WeakPolarHBondContact O-CB 3.4Å; Y157-L160 PolarHBondContact O-N 3.41Å; P158-L160 PolarHBondContact O-N 3.39Å; P158-L160 VanDerWaalsContact O-N 3.14Å; L160-E162 VanDerWaalsContact C-N 3.31Å
161S77.1Confident85.2Confident79 Ų7978.4 Ų78.455%0.55241%0.409SS*.THydrogen-bonded Turntrans-78.4-18.5175.5-53.30000112.4P158 V159 V163P158-S161 WeakPolarHBondContact O-CA 3.43Å; P158-S161 VanDerWaalsContact O-CB 3.27Å; P158-S161 WeakPolarHBondContact O-CB 3.44Å; P158-S161 PolarHBondContact O-N 3.39Å; V159-S161 VanDerWaalsContact C-N 3.3Å; S161-V163 VanDerWaalsContact C-N 3.33Å
162E79.7Confident85Confident164 Ų16474.4 Ų74.477%0.76639%0.391SS*.SBendtrans-83.2-12.5177.7-62178.4179.100112.5V159 L160V159-E162 PolarHBondContact O-N 2.72Å; L160-E162 VanDerWaalsContact C-N 3.31Å
163V82.6Confident84.7Confident61 Ų6174.6 Ų74.637%0.3740%0.401SS..SBendtrans-101.2122.8-178.8179.30000109.5R32 S161 P165R32-V163 HydrophobicContact CB-CG1 3.96Å; R32-V163 VanDerWaalsContact CD-CG1 3.48Å; R32-V163 HydrophobicContact CG-CG1 3.99Å; S161-V163 VanDerWaalsContact C-N 3.33Å; V163-P165 WeakPolarHBondContact O-CD 3.2Å
164E85.3Confident84.6Confident163 Ų16375.5 Ų75.576%0.76241%0.407SS*.PPolyproline II helixtrans-66121.7177.1-164.5173.9-170.600110.3R32R32-E164 PolarHBondContact NE-O 3.28Å
165P86.4Confident84.6Confident76 Ų7674.8 Ų74.849%0.49441%0.406SS..PPolyproline II helixtrans-68.5155.5179.529.3-34.3000110.8R30 V163R30-P165 CarbonylContact O-C 3.52Å; R30-P165 VanDerWaalsContact O-CA 3.23Å; R30-P165 WeakPolarHBondContact O-CA 3.05Å; R30-P165 WeakPolarHBondContact O-CB 3.31Å; V163-P165 WeakPolarHBondContact O-CD 3.2Å
166L87.5Confident84.7Confident28 Ų2871.2 Ų71.215%0.14738%0.382CS..PPolyproline II helixtrans-61.7145.3166.2-59175.3000109.3R30 R32 E170 L172R30-L166 HydrophobicContact CB-CB 4.45Å; R30-L166 HydrophobicContact CG-CB 4.49Å; R30-L166 PolarHBondContact O-N 3.12Å; R32-L166 VanDerWaalsContact NH2-CD2 3.3Å; L166-E170 WeakPolarHBondContact CD2-OE2 3.34Å; L166-L172 HydrophobicContact CD1-CD2 3.74Å
167R83.7Confident84.9Confident165 Ų16570 Ų7062%0.62338%0.377SS*.PPolyproline II helixtrans-64152.6175.9-61.9167.551153.6-0.9110.2R30 D169 E170R30-R167 PolarHBondContact NH1-O 3.48Å; R167-D169 WeakPolarHBondContact CB-OD1 3.48Å; R167-D169 IonicContact CZ-OD1 2.94Å; R167-D169 IonicContact CZ-OD2 3.28Å; R167-D169 IonicContact NE-OD1 3.92Å; R167-D169 PolarHBondContact NE-OD1 2.7Å; R167-D169 IonicContact NE-OD2 3.73Å; R167-D169 IonicContact NH2-OD1 2.67Å; R167-D169 PolarHBondContact NH2-OD1 2.81Å; R167-D169 IonicContact NH2-OD2 2.79Å; R167-D169 PolarHBondContact NH2-OD2 3.37Å; R167-D169 PolarHBondContact O-N 3.38Å; R167-E170 HydrophobicContact CB-CB 4.32Å; R167-E170 PolarHBondContact O-N 2.65Å
168D76.9Confident85.3Confident133 Ų13369.4 Ų69.471%0.71138%0.375SS*.THydrogen-bonded Turntrans-66.4-26.1-179.6-75.3-26.2000113.1R30R30-D168 VanDerWaalsContact CZ-O 3.26Å; R30-D168 PolarHBondContact NH2-O 2.96Å
169D73.9Confident85.8Confident59 Ų5969.8 Ų69.832%0.31637%0.37SS..THydrogen-bonded Turntrans-88.8-8.5178.362.4-21000113.8R167R167-D169 WeakPolarHBondContact CB-OD1 3.48Å; R167-D169 IonicContact CZ-OD1 2.94Å; R167-D169 IonicContact CZ-OD2 3.28Å; R167-D169 IonicContact NE-OD1 3.92Å; R167-D169 PolarHBondContact NE-OD1 2.7Å; R167-D169 IonicContact NE-OD2 3.73Å; R167-D169 IonicContact NH2-OD1 2.67Å; R167-D169 PolarHBondContact NH2-OD1 2.81Å; R167-D169 IonicContact NH2-OD2 2.79Å; R167-D169 PolarHBondContact NH2-OD2 3.37Å; R167-D169 PolarHBondContact O-N 3.38Å
170E84.1Confident86.3Confident82 Ų8271.4 Ų71.438%0.38337%0.373SS..SBendtrans-74.4128.3177.5-170.2178.2164.800110.4R30 L166 R167 L172R30-E170 VanDerWaalsContact CZ-O 3.29Å; R30-E170 PolarHBondContact NH1-O 2.95Å; R30-E170 PolarHBondContact NH2-O 3.3Å; L166-E170 WeakPolarHBondContact CD2-OE2 3.34Å; R167-E170 HydrophobicContact CB-CB 4.32Å; R167-E170 PolarHBondContact O-N 2.65Å; E170-L172 PolarHBondContact O-N 2.76Å
171P86.2Confident86.8Confident58 Ų5873.7 Ų73.738%0.37739%0.385SS..PPolyproline II helixtrans-70.4126.9179.627.3-33.1000111A316 V317P171-A316 HydrophobicContact CB-CB 4.39Å; P171-V317 HydrophobicContact CB-CG1 4.44Å
172L90Very high87.2Confident17 Ų1776.9 Ų76.99%0.08940%0.396CS..PPolyproline II helixtrans-70.6152.6171-66.2173.9000110.2R26 Q29 R30 L166 E170 R368R26-L172 HydrophobicContact CB-CD1 3.63Å; R26-L172 HydrophobicContact CG-CD1 3.7Å; Q29-L172 HydrophobicContact CB-CD1 4.39Å; Q29-L172 HydrophobicContact CB-CD2 4.13Å; R30-L172 HydrophobicContact CG-CD1 4.38Å; R30-L172 HydrophobicContact CG-CD2 4.21Å; L166-L172 HydrophobicContact CD1-CD2 3.74Å; E170-L172 PolarHBondContact O-N 2.76Å; L172-R368 PolarHBondContact O-NH1 2.94Å
173P89.7Confident86.4Confident93 Ų9378.5 Ų78.560%0.60440%0.403SS*.PPolyproline II helixtrans-61.6140.3175.723.5-31.4000110.7
174P91.4Very high85Confident18 Ų1885.3 Ų85.312%0.11743%0.428CS..PPolyproline II helixtrans-65.6152.7178.626.7-32.3000111.1Y176 N277 D367 R368 D371P174-Y176 PolarHBondContact O-N 3.03Å; P174-N277 VanDerWaalsContact O-CB 3.31Å; P174-N277 WeakPolarHBondContact O-CB 3.29Å; P174-N277 PolarHBondContact O-ND2 2.88Å; P174-D367 HydrophobicContact CB-CB 3.99Å; P174-D367 WeakPolarHBondContact CB-O 3.16Å; P174-D367 HydrophobicContact CG-CB 3.81Å; P174-R368 HydrophobicContact CB-CG 4.25Å; P174-D371 VanDerWaalsContact CA-OD2 3.31Å; P174-D371 WeakPolarHBondContact CA-OD2 3.49Å
175S89.9Confident83.5Confident42 Ų4282.4 Ų82.429%0.29442%0.422SS..SBendtrans-67.5-26.9178.6-62.80000112.9N277 D371S175-N277 PolarHBondContact O-N 2.93Å; S175-D371 WeakPolarHBondContact CB-OD1 3.44Å; S175-D371 PolarHBondContact N-OD2 2.69Å; S175-D371 PolarHBondContact OG-OD1 3.24Å
176Y92.2Very high81.5Confident32 Ų3286.9 Ų86.913%0.12544%0.441CS..EExtended strand (participates in β ladder)trans-137.9154.5-177.3-55.1-83.8000110.9P174 T275 P276 P281 V282 D367 L370P174-Y176 PolarHBondContact O-N 3.03Å; Y176-T275 CarbonylContact C-O 3.54Å; Y176-T275 WeakPolarHBondContact CA-O 3.48Å; Y176-P276 HydrophobicContact CD1-CB 4.14Å; Y176-P276 HydrophobicContact CE1-CB 4.17Å; Y176-P281 PolarHBondContact OH-O 2.7Å; Y176-V282 HydrophobicContact CD1-CG2 4.48Å; Y176-V282 HydrophobicContact CE1-CG2 4.48Å; Y176-D367 WeakPolarHBondContact O-CB 3.48Å; Y176-L370 HydrophobicContact CD2-CB 3.95Å; Y176-L370 HydrophobicContact CD2-CD1 3.6Å; Y176-L370 HydrophobicContact CD2-CG 4.43Å; Y176-L370 HydrophobicContact CE2-CB 4.35Å; Y176-L370 HydrophobicContact CE2-CD1 4.17Å; Y176-L370 HydrophobicContact CG-CD1 3.95Å
177T93.7Very high79.5Confident33 Ų3394.4 Ų94.420%0.20248%0.476CS..EExtended strand (participates in β ladder)trans-112.8128.4169.7-56.10000109T275 N277T177-T275 PolarHBondContact N-O 3.18Å; T177-T275 PolarHBondContact O-N 2.86Å; T177-N277 VanDerWaalsContact OG1-CG 3.32Å; T177-N277 PolarHBondContact OG1-ND2 3.48Å; T177-N277 PolarHBondContact OG1-OD1 3.15Å
178L93.9Very high77.4Confident12 Ų1293.2 Ų93.26%0.06348%0.482CS..EExtended strand (participates in β ladder)trans-93.1114.3176.2-83.272.2000109.3F180 F272 L274 P366 D367L178-F180 HydrophobicContact CB-CE2 4.17Å; L178-F180 HydrophobicContact CD2-CZ 4.42Å; L178-F272 HydrophobicContact CB-CB 4.49Å; L178-F272 HydrophobicContact CB-CD2 4.25Å; L178-F272 HydrophobicContact CB-CG 4.49Å; L178-F272 HydrophobicContact CD2-CD1 4.25Å; L178-F272 HydrophobicContact CD2-CD2 3.8Å; L178-F272 HydrophobicContact CD2-CE1 4.3Å; L178-F272 HydrophobicContact CD2-CE2 3.85Å; L178-F272 HydrophobicContact CD2-CG 4.02Å; L178-F272 HydrophobicContact CD2-CZ 4.11Å; L178-F272 HydrophobicContact CG-CD2 3.64Å; L178-F272 HydrophobicContact CG-CE2 3.91Å; L178-F272 HydrophobicContact CG-CG 4.19Å; L178-L274 HydrophobicContact CD1-CD2 3.34Å; L178-L274 HydrophobicContact CG-CD2 3.6Å; L178-P366 HydrophobicContact CD2-CB 4.05Å; L178-D367 WeakPolarHBondContact CB-OD1 3.27Å; L178-D367 PolarHBondContact N-OD1 2.81Å
179H94.1Very high75.7Confident85 Ų8591.7 Ų91.739%0.39448%0.479SS..EExtended strand (participates in β ladder)trans-97.5101.9174.8-57.4-71.9000109.7F272 T273 T275H179-F272 CarbonylContact O-C 3.57Å; H179-F272 WeakPolarHBondContact O-CA 3.36Å; H179-F272 WeakPolarHBondContact O-CB 3.47Å; H179-T273 PolarHBondContact N-O 2.82Å; H179-T273 PolarHBondContact O-N 3.01Å; H179-T275 PolarHBondContact CD2-OG1 3.39Å; H179-T275 WeakPolarHBondContact NE2-CB 3.44Å; H179-T275 PolarHBondContact NE2-OG1 3.25Å
180F93.5Very high74Confident84 Ų8495.6 Ų95.637%0.36850%0.496SS..EExtended strand (participates in β ladder)trans-68.4138.6175.6-73.5-88.1000111.2L178 L266 R271 F272 V292 P366L178-F180 HydrophobicContact CB-CE2 4.17Å; L178-F180 HydrophobicContact CD2-CZ 4.42Å; F180-L266 HydrophobicContact CZ-CD2 4.49Å; F180-R271 CarbonylContact C-O 3.56Å; F180-R271 WeakPolarHBondContact CA-O 3.36Å; F180-F272 HydrophobicContact CD1-CB 4.09Å; F180-F272 HydrophobicContact CE1-CB 4.26Å; F180-F272 HydrophobicContact CE1-CD1 4.32Å; F180-F272 HydrophobicContact CG-CB 4.31Å; F180-V292 HydrophobicContact CE1-CG2 3.74Å; F180-V292 HydrophobicContact CZ-CG2 4.23Å; F180-P366 HydrophobicContact CE2-CB 3.93Å; F180-P366 HydrophobicContact CE2-CG 4.03Å; F180-P366 HydrophobicContact CZ-CB 4.2Å; F180-P366 HydrophobicContact CZ-CG 4.36Å
181L92.1Very high71.6Confident64 Ų64102.9 Ų102.934%0.33552%0.52SS..PPolyproline II helixtrans-96139.2-178-57.6179.3000110.2R271 T273 P289L181-R271 HydrophobicContact CD1-CB 4.35Å; L181-R271 PolarHBondContact N-O 2.99Å; L181-T273 HydrophobicContact CD1-CG2 4.39Å; L181-T273 HydrophobicContact CD2-CG2 4.36Å; L181-P289 HydrophobicContact CD1-CB 3.63Å; L181-P289 HydrophobicContact CD1-CG 4.2Å
182D84.3Confident69.4Low145 Ų145106.3 Ų106.378%0.77553%0.533SS*.PPolyproline II helixtrans-67.9143.5171.6-65.4-35.6000110.9K184 T185D182-K184 PolarHBondContact O-N 2.82Å; D182-T185 PolarHBondContact O-OG1 2.8Å
183E63.7Low66.6Low198 Ų198108 Ų10893%0.92556%0.556SS**THydrogen-bonded Turntrans-55.2-0.8-171.3-64.3-177.2149.100116.6
184K52.6Low64Low204 Ų204109.9 Ų109.989%0.88757%0.565SS**THydrogen-bonded Turntrans-106.418.7-172.6-66.5-171.7179.2178.80115.8D182D182-K184 PolarHBondContact O-N 2.82Å
185T53.8Low61.7Low103 Ų103113.7 Ų113.763%0.63259%0.585SS**SBendtrans-96.6125.9174.624.40000112.2D182D182-T185 PolarHBondContact O-OG1 2.8Å
186D44.5Very low59.7Low169 Ų169117.6 Ų117.690%0.90461%0.609SS**  trans-46.3132.4-171.3-96.9-40000114.5N188D186-N188 PolarHBondContact O-N 2.9Å; D186-N188 VanDerWaalsContact O-N 3.13Å
187Q46Very low57.8Low186 Ų186122.9 Ų122.987%0.86964%0.64SS**  trans-68.2104.5174.1-62177.15.300109.3P189Q187-P189 WeakPolarHBondContact O-CD 3.49Å
188N39.4Very low56.2Low140 Ų140125 Ų12575%0.74964%0.644SS**  trans-102.8102152.5-129-5.1000107D186 E190D186-N188 PolarHBondContact O-N 2.9Å; D186-N188 VanDerWaalsContact O-N 3.13Å; N188-E190 PolarHBondContact O-N 2.93Å
189P40Very low55Low101 Ų101128.7 Ų128.766%0.65667%0.668SS**  trans-56.913416822.7-29.5000107.8Q187 R191Q187-P189 WeakPolarHBondContact O-CD 3.49Å; P189-R191 PolarHBondContact O-N 2.93Å
190E40Very low54.3Low142 Ų142129 Ų12966%0.66468%0.676SS**  trans-48110.4175.9-70.3-175.6154.900109.1N188 I192 P287N188-E190 PolarHBondContact O-N 2.93Å; E190-I192 VanDerWaalsContact C-N 3.31Å; E190-I192 PolarHBondContact O-N 3.26Å; E190-P287 WeakPolarHBondContact OE1-CB 3.49Å
191R32.8Very low53.8Low235 Ų235125.5 Ų125.589%0.88766%0.662SS**  trans-69.898.4163.2-74.4-176.2178.4-176.9-0.2106P189 G193P189-R191 PolarHBondContact O-N 2.93Å; R191-G193 PolarHBondContact O-N 2.96Å
192I39.2Very low53.4Low129 Ų129124.4 Ų124.466%0.66266%0.66SS**  trans-64.288.2158-58.5173.4000105.2E190 T194E190-I192 VanDerWaalsContact C-N 3.31Å; E190-I192 PolarHBondContact O-N 3.26Å; I192-T194 PolarHBondContact O-N 3.41Å; I192-T194 VanDerWaalsContact O-N 3.17Å
193G32.6Very low53.2Low54 Ų54122.4 Ų122.456%0.55765%0.645SS**  trans-61.1116.8172.200000108.5R191 D195R191-G193 PolarHBondContact O-N 2.96Å; G193-D195 PolarHBondContact O-N 2.9Å
194T35.5Very low53.8Low132 Ų132118 Ų11881%0.8164%0.636SS**  trans-71.283.7160.946.90000107.2I192 P196I192-T194 PolarHBondContact O-N 3.41Å; I192-T194 VanDerWaalsContact O-N 3.17Å; T194-P196 WeakPolarHBondContact O-CD 3.37Å
195D43Very low55.2Low98 Ų98110 Ų11052%0.52461%0.606SS.*  trans-75.3117.3170-165.1-15.4000108.4G193 D197 R198G193-D195 PolarHBondContact O-N 2.9Å; D195-D197 PolarHBondContact O-N 2.84Å; D195-D197 PolarHBondContact OD1-N 3.46Å; D195-D197 VanDerWaalsContact OD1-N 3.15Å; D195-R198 WeakPolarHBondContact O-CB 3.22Å; D195-R198 PolarHBondContact O-N 3.42Å
196P47Very low56.7Low124 Ų124107.3 Ų107.381%0.80559%0.588SS**THydrogen-bonded Turntrans-65.7-14.3177.325.1-32000113.5T194T194-P196 WeakPolarHBondContact O-CD 3.37Å
197D52.3Low59Low143 Ų143100.3 Ų100.377%0.76555%0.549SS*.THydrogen-bonded Turntrans-100.227.4176.1-99.8-12.1000113.2D195 P199D195-D197 PolarHBondContact O-N 2.84Å; D195-D197 PolarHBondContact OD1-N 3.46Å; D195-D197 VanDerWaalsContact OD1-N 3.15Å; D197-P199 WeakPolarHBondContact O-CD 3.35Å
198R60.2Low61.3Low77 Ų7793.7 Ų93.729%0.29152%0.523SS..PPolyproline II helixtrans-58.6122.4-174.9-155.8170.7-175.7174.30.5111.3D195 N237D195-R198 WeakPolarHBondContact O-CB 3.22Å; D195-R198 PolarHBondContact O-N 3.42Å; R198-N237 PolarHBondContact O-ND2 3.47Å
199P69.4Low64.1Low89 Ų8987 Ų8758%0.57849%0.487SS*.PPolyproline II helixtrans-63.4155.7177.725.7-33.5000110.7D197D197-P199 WeakPolarHBondContact O-CD 3.35Å
200V78.9Confident66.8Low92 Ų9287.1 Ų87.156%0.55847%0.474SS*.PPolyproline II helixtrans-52.6128.7178.3179.80000109.5N237V200-N237 HydrophobicContact CG2-CB 4.32Å
201P83.7Confident69.6Low10 Ų1080.6 Ų80.67%0.06544%0.444CS..PPolyproline II helixtrans-53.6140.3-178.3-29.735.4000112.9S205 F207 S236 I238 W434P201-S205 CarbonylContact C-O 3.59Å; P201-S205 WeakPolarHBondContact CA-O 3.19Å; P201-F207 HydrophobicContact CB-CB 3.76Å; P201-F207 HydrophobicContact CG-CB 3.49Å; P201-F207 VanDerWaalsContact CG-CB 3.49Å; P201-F207 HydrophobicContact CG-CD2 4.35Å; P201-F207 HydrophobicContact CG-CG 4.16Å; P201-S236 WeakPolarHBondContact CD-O 3.4Å; P201-I238 HydrophobicContact CB-CD1 4.42Å; P201-I238 HydrophobicContact CB-CG1 4.42Å; P201-I238 HydrophobicContact CG-CD1 4.03Å; P201-I238 HydrophobicContact CG-CG1 3.85Å; P201-W434 HydrophobicContact CB-CB 4.04Å
202S83.3Confident72.7Confident42 Ų4271.9 Ų71.929%0.29442%0.415SS..BIsolated β-bridgetrans-144.1178.7-176.174.60000110.4S204 S205S202-S204 PolarHBondContact O-N 3.44Å; S202-S204 PolarHBondContact OG-N 3.1Å; S202-S204 PolarHBondContact OG-OG 3.06Å; S202-S205 PolarHBondContact N-O 3Å; S202-S205 CarbonylContact O-C 3.58Å; S202-S205 PolarHBondContact O-N 2.98Å; S202-S205 PolarHBondContact OG-N 3.47Å
203E79.8Confident75.5Confident102 Ų10267.6 Ų67.648%0.47740%0.396SS..THydrogen-bonded Turntrans-58.4-28.4175.5-171.9-178.9161.500113.4R285 W434E203-R285 IonicContact OE1-NH1 3.54Å; E203-W434 HydrophobicContact CB-CZ2 3.96Å; E203-W434 HydrophobicContact CG-CH2 4.4Å; E203-W434 HydrophobicContact CG-CZ2 4.03Å
204S75.4Confident78.6Confident105 Ų10566.4 Ų66.473%0.73438%0.377SS*.THydrogen-bonded Turntrans-90.6-14.417755.90000113.8S202S202-S204 PolarHBondContact O-N 3.44Å; S202-S204 PolarHBondContact OG-N 3.1Å; S202-S204 PolarHBondContact OG-OG 3.06Å
205S82.1Confident81.6Confident37 Ų3767.7 Ų67.726%0.25937%0.367SS..BIsolated β-bridgetrans-141.490.8179.8-175.90000110P201 S202P201-S205 CarbonylContact C-O 3.59Å; P201-S205 WeakPolarHBondContact CA-O 3.19Å; S202-S205 PolarHBondContact N-O 3Å; S202-S205 CarbonylContact O-C 3.58Å; S202-S205 PolarHBondContact O-N 2.98Å; S202-S205 PolarHBondContact OG-N 3.47Å
206L86.1Confident84.2Confident46 Ų4667 Ų6724%0.24136%0.357CS..  trans-75.6147.6-175.3-54176.6000111.5R249 P432 W434L206-R249 HydrophobicContact CD1-CB 4.44Å; L206-P432 HydrophobicContact CB-CB 4.1Å; L206-P432 HydrophobicContact CD1-CB 3.87Å; L206-W434 HydrophobicContact CD2-CD2 4.22Å; L206-W434 HydrophobicContact CD2-CE3 3.33Å; L206-W434 HydrophobicContact CD2-CH2 4.1Å; L206-W434 HydrophobicContact CD2-CZ3 3.28Å
207F92.5Very high86.6Confident22 Ų2262.9 Ų62.910%0.09633%0.33CS..EExtended strand (participates in β ladder)trans-98.6119.7170.8-176-105.9000111P201 A209 I233 S236 I238 P432 L433P201-F207 HydrophobicContact CB-CB 3.76Å; P201-F207 HydrophobicContact CG-CB 3.49Å; P201-F207 VanDerWaalsContact CG-CB 3.49Å; P201-F207 HydrophobicContact CG-CD2 4.35Å; P201-F207 HydrophobicContact CG-CG 4.16Å; F207-A209 HydrophobicContact CD1-CB 3.81Å; F207-A209 HydrophobicContact CE1-CB 3.87Å; F207-A209 PolarHBondContact O-N 2.94Å; F207-I233 HydrophobicContact CE1-CB 4.44Å; F207-I233 HydrophobicContact CE1-CG2 4.47Å; F207-S236 VanDerWaalsContact CE2-CB 3.44Å; F207-I238 HydrophobicContact CB-CD1 4.28Å; F207-I238 HydrophobicContact CD1-CD1 4.2Å; F207-I238 HydrophobicContact CG-CD1 4.37Å; F207-P432 CarbonylContact O-C 3.6Å; F207-P432 WeakPolarHBondContact O-CA 3.41Å; F207-L433 WeakPolarHBondContact CB-O 3.34Å; F207-L433 HydrophobicContact CD1-CD1 4.43Å; F207-L433 PolarHBondContact N-O 3.25Å; F207-L433 PolarHBondContact O-N 3.31Å
208P94.6Very high88.7Confident48 Ų4856.5 Ų56.531%0.31230%0.296SS..EExtended strand (participates in β ladder)trans-76.585.1174.931.6-33.1000109.8L430P208-L430 HydrophobicContact CB-CB 4.09Å; P208-L430 HydrophobicContact CB-CD1 4.32Å
209A96.9Very high90.5Very high0 Ų055.8 Ų55.80%030%0.298CS..EExtended strand (participates in β ladder)trans-74.7132.6-178.300000111.3F207 M211 F231 I233 L430 V431 L433F207-A209 HydrophobicContact CD1-CB 3.81Å; F207-A209 HydrophobicContact CE1-CB 3.87Å; F207-A209 PolarHBondContact O-N 2.94Å; A209-M211 PolarHBondContact O-N 3.28Å; A209-F231 HydrophobicContact CB-CB 4.13Å; A209-F231 HydrophobicContact CB-CD1 4.34Å; A209-I233 HydrophobicContact CB-CG2 4.45Å; A209-L430 WeakPolarHBondContact O-CA 3.38Å; A209-V431 PolarHBondContact N-O 3.1Å; A209-V431 PolarHBondContact O-N 3.32Å; A209-L433 HydrophobicContact CB-CD1 4.12Å; A209-L433 HydrophobicContact CB-CD2 3.44Å; A209-L433 VanDerWaalsContact CB-CD2 3.44Å; A209-L433 HydrophobicContact CB-CG 3.64Å
210R97.9Very high91.7Very high103 Ų10356.2 Ų56.239%0.38930%0.3SS..EExtended strand (participates in β ladder)trans-73.8123.6176.8-174.8175.362.9103.7-1.2110L212 F231 D232 E428 V429 L430R210-L212 PolarHBondContact O-N 3.46Å; R210-F231 WeakPolarHBondContact O-CA 3.4Å; R210-D232 HydrophobicContact CB-CB 4.24Å; R210-D232 IonicContact CZ-OD2 3.45Å; R210-D232 IonicContact NE-OD2 2.84Å; R210-D232 IonicContact NH2-OD2 3.28Å; R210-D232 PolarHBondContact NH2-OD2 3.43Å; R210-D232 PolarHBondContact O-N 2.97Å; R210-E428 HydrophobicContact CG-CG 4.3Å; R210-V429 CarbonylContact C-O 3.58Å; R210-V429 WeakPolarHBondContact CA-O 3.34Å; R210-L430 HydrophobicContact CB-CD2 4.13Å
211M98.4Very high92.5Very high4 Ų456.6 Ų56.62%0.0230%0.303CS..EExtended strand (participates in β ladder)trans-73.9118173.7-174-179.4-71.500109.4A209 N214 D230 F231 L419 L422 P424 V429 V431A209-M211 PolarHBondContact O-N 3.28Å; M211-N214 HydrophobicContact SD-CB 3.83Å; M211-D230 CarbonylContact C-O 3.49Å; M211-F231 HydrophobicContact CB-CD1 4.17Å; M211-F231 HydrophobicContact CB-CE1 4.04Å; M211-F231 HydrophobicContact CE-CE1 3.68Å; M211-F231 HydrophobicContact CE-CZ 3.93Å; M211-F231 HydrophobicContact CG-CD1 4.48Å; M211-F231 HydrophobicContact CG-CE1 4.13Å; M211-L419 HydrophobicContact CE-CD2 4.06Å; M211-L422 HydrophobicContact CE-CB 4.08Å; M211-L422 HydrophobicContact CE-CD1 3.73Å; M211-L422 HydrophobicContact SD-CB 4.09Å; M211-P424 HydrophobicContact CB-CB 4.48Å; M211-P424 HydrophobicContact CG-CB 4.35Å; M211-P424 HydrophobicContact CG-CG 4.23Å; M211-P424 VanDerWaalsContact O-CB 3.24Å; M211-P424 WeakPolarHBondContact O-CB 3.44Å; M211-P424 HydrophobicContact SD-CG 4.31Å; M211-V429 HydrophobicContact CB-CB 4.1Å; M211-V429 HydrophobicContact CB-CG1 3.98Å; M211-V429 PolarHBondContact N-O 3.16Å; M211-V429 HydrophobicContact SD-CG1 4.44Å; M211-V431 HydrophobicContact CE-CG2 3.87Å
212L98.1Very high93Very high52 Ų5256.9 Ų56.927%0.27230%0.304SS..EExtended strand (participates in β ladder)trans-86.6-36.9179.5-63.4-179.7000112.3R210 D230 D232 R393R210-L212 PolarHBondContact O-N 3.46Å; L212-D230 HydrophobicContact CB-CB 4.21Å; L212-D230 PolarHBondContact N-O 3.03Å; L212-D232 HydrophobicContact CD1-CB 4.05Å; L212-D232 HydrophobicContact CD2-CB 3.97Å; L212-D232 HydrophobicContact CG-CB 3.99Å; L212-R393 HydrophobicContact CD1-CG 4.22Å
213S98.2Very high93.4Very high40 Ų4060.7 Ų60.728%0.2832%0.315SS..EExtended strand (participates in β ladder)trans-154.7149.6179.272.20000111.8L229 D230S213-L229 WeakPolarHBondContact O-CA 3.41Å; S213-D230 PolarHBondContact N-O 3.3Å; S213-D230 PolarHBondContact O-N 2.98Å; S213-D230 WeakPolarHBondContact OG-CB 3.4Å
214N98.2Very high94.1Very high29 Ų2959.1 Ų59.116%0.15531%0.308CS..EExtended strand (participates in β ladder)trans-134.788174.8-173.4-6.9000109.4M211 R227 L229 L419 L422 P424M211-N214 HydrophobicContact SD-CB 3.83Å; N214-R227 PolarHBondContact ND2-NH1 3.29Å; N214-R227 WeakPolarHBondContact OD1-CD 3.44Å; N214-R227 PolarHBondContact OD1-NH1 2.85Å; N214-L229 HydrophobicContact CB-CD2 4.05Å; N214-L229 VanDerWaalsContact CG-CD2 3.46Å; N214-L229 WeakPolarHBondContact OD1-CD2 3.47Å; N214-L419 PolarHBondContact ND2-O 2.81Å; N214-L422 PolarHBondContact ND2-O 3.4Å; N214-P424 HydrophobicContact CB-CG 4.39Å
215R97.3Very high95.2Very high158 Ų15855.8 Ų55.860%0.59628%0.282SS*.EExtended strand (participates in β ladder)trans-113.8125.2-170-172.6179.466.3173.5-0.8112.1V217 R227 L228R215-V217 PolarHBondContact O-N 3.46Å; R215-R227 CarbonylContact O-C 3.49Å; R215-R227 WeakPolarHBondContact O-CA 3.19Å; R215-L228 PolarHBondContact N-O 2.86Å; R215-L228 VanDerWaalsContact N-O 3.07Å; R215-L228 PolarHBondContact O-N 3.26Å
216R97.4Very high95.9Very high85 Ų8554 Ų5432%0.32127%0.27SS..EExtended strand (participates in β ladder)trans-63.8126.3167.2-174.8171.7-179.1-179.91110.3T218 D219 P220 H222 D225 V226R216-T218 WeakPolarHBondContact CG-O 3.18Å; R216-T218 WeakPolarHBondContact CG-OG1 3.46Å; R216-T218 PolarHBondContact NE-OG1 2.93Å; R216-D219 PolarHBondContact NH2-O 2.94Å; R216-P220 PolarHBondContact NH1-O 3.36Å; R216-P220 VanDerWaalsContact NH1-O 3.14Å; R216-P220 PolarHBondContact NH2-O 3.14Å; R216-H222 PolarHBondContact NH2-O 3.08Å; R216-D225 WeakPolarHBondContact CD-OD1 3.2Å; R216-D225 WeakPolarHBondContact CG-OD1 3.4Å; R216-D225 IonicContact NE-OD1 3.73Å; R216-V226 CarbonylContact C-O 3.49Å; R216-V226 WeakPolarHBondContact CA-O 3.09Å
217V97.2Very high96.5Very high37 Ų3754.2 Ų54.222%0.22427%0.267CS..  trans-106.40.7-179.8-63.70000113.4R215 V226 L228 L397 Y491R215-V217 PolarHBondContact O-N 3.46Å; V217-V226 HydrophobicContact CG2-CB 4.15Å; V217-V226 HydrophobicContact CG2-CG1 3.91Å; V217-V226 VanDerWaalsContact CG2-O 3.31Å; V217-V226 WeakPolarHBondContact CG2-O 3.32Å; V217-V226 PolarHBondContact N-O 2.84Å; V217-L228 HydrophobicContact CG1-CB 3.63Å; V217-L397 HydrophobicContact CG2-CD1 3.78Å; V217-Y491 HydrophobicContact CB-CD1 4.47Å; V217-Y491 HydrophobicContact CG2-CD1 3.79Å; V217-Y491 HydrophobicContact CG2-CE1 4.13Å
218T97.4Very high96.8Very high9 Ų953.6 Ų53.66%0.05527%0.265CS..SBendtrans-99.2153.7169.842.20000110.3R216 Q224 V226 K488 D489 Y491R216-T218 WeakPolarHBondContact CG-O 3.18Å; R216-T218 WeakPolarHBondContact CG-OG1 3.46Å; R216-T218 PolarHBondContact NE-OG1 2.93Å; T218-Q224 PolarHBondContact OG1-O 3.09Å; T218-V226 HydrophobicContact CG2-CB 3.83Å; T218-V226 HydrophobicContact CG2-CG2 3.92Å; T218-V226 PolarHBondContact OG1-N 3.12Å; T218-K488 WeakPolarHBondContact CA-O 3.22Å; T218-D489 HydrophobicContact CG2-CB 3.97Å; T218-Y491 HydrophobicContact CG2-CE1 3.77Å
219D96.6Very high97Very high61 Ų6151.3 Ų51.333%0.32625%0.25SC..  trans-56.1140.4169.2-179.4-92000110.7R216 T221 H222 K488R216-D219 PolarHBondContact NH2-O 2.94Å; D219-T221 PolarHBondContact O-N 3.1Å; D219-T221 VanDerWaalsContact O-N 3.09Å; D219-T221 WeakPolarHBondContact OD1-CA 3.3Å; D219-T221 VanDerWaalsContact OD1-CB 3.23Å; D219-T221 WeakPolarHBondContact OD1-CB 3.49Å; D219-T221 WeakPolarHBondContact OD1-CG2 3.34Å; D219-T221 PolarHBondContact OD1-N 3.42Å; D219-T221 PolarHBondContact OD1-OG1 3.44Å; D219-H222 WeakPolarHBondContact O-CB 3.4Å; D219-H222 PolarHBondContact O-N 3.14Å; D219-K488 HydrophobicContact CB-CB 4.05Å; D219-K488 HydrophobicContact CB-CG 4.1Å; D219-K488 PolarHBondContact N-O 3.37Å
220P95.4Very high97.1Very high98 Ų9851.4 Ų51.464%0.63625%0.25SS*.THydrogen-bonded Turntrans-53.8-31.2-179.3-30.237.1000114.8R216 H222R216-P220 PolarHBondContact NH1-O 3.36Å; R216-P220 VanDerWaalsContact NH1-O 3.14Å; R216-P220 PolarHBondContact NH2-O 3.14Å; P220-H222 VanDerWaalsContact C-N 3.33Å
221T95.4Very high97.1Very high101 Ų10146.5 Ų46.562%0.6223%0.232SC*.THydrogen-bonded Turntrans-82.5-8.9179.176.10000113.3D219 K488D219-T221 PolarHBondContact O-N 3.1Å; D219-T221 VanDerWaalsContact O-N 3.09Å; D219-T221 WeakPolarHBondContact OD1-CA 3.3Å; D219-T221 VanDerWaalsContact OD1-CB 3.23Å; D219-T221 WeakPolarHBondContact OD1-CB 3.49Å; D219-T221 WeakPolarHBondContact OD1-CG2 3.34Å; D219-T221 PolarHBondContact OD1-N 3.42Å; D219-T221 PolarHBondContact OD1-OG1 3.44Å; T221-K488 PolarHBondContact OG1-NZ 3.11Å
222H95.6Very high97.1Very high15 Ų1548 Ų487%0.06924%0.24CC..SBendtrans-67.6139.1175.5-162.673.8000110.6R216 D219 P220 Q224 K488 D489R216-H222 PolarHBondContact NH2-O 3.08Å; D219-H222 WeakPolarHBondContact O-CB 3.4Å; D219-H222 PolarHBondContact O-N 3.14Å; P220-H222 VanDerWaalsContact C-N 3.33Å; H222-Q224 VanDerWaalsContact C-N 3.27Å; H222-Q224 PolarHBondContact CD2-O 3.16Å; H222-Q224 PolarHBondContact O-N 2.98Å; H222-K488 HydrophobicContact CB-CB 4.26Å; H222-D489 IonicContact CE1-OD1 3.49Å; H222-D489 PolarHBondContact CE1-OD1 3.25Å; H222-D489 IonicContact CE1-OD2 3.51Å; H222-D489 IonicContact NE2-OD2 3.58Å
223F91.8Very high97Very high123 Ų12345.7 Ų45.754%0.53923%0.228SC..SBendtrans-64.6-29.9-173.680.7-73000113.4R484F223-R484 VanDerWaalsContact CE1-NE 3.35Å; F223-R484 VanDerWaalsContact CZ-NH1 3.32Å; F223-R484 VanDerWaalsContact CZ-NH2 3.27Å
224Q94.6Very high96.8Very high69 Ų6946.8 Ų46.832%0.32224%0.235SC..SBendtrans-104.4125.2-179.9-171166.434.500109.7T218 H222 V226 A399T218-Q224 PolarHBondContact OG1-O 3.09Å; H222-Q224 VanDerWaalsContact C-N 3.27Å; H222-Q224 PolarHBondContact CD2-O 3.16Å; H222-Q224 PolarHBondContact O-N 2.98Å; Q224-V226 HydrophobicContact CG-CG2 3.93Å; Q224-A399 HydrophobicContact CG-CB 4.5Å
225D96.8Very high96.4Very high35 Ų3548.7 Ų48.719%0.18726%0.262CS..  trans-79.1119.6167.9-177.3-2.2000108R216 R227 V400R216-D225 WeakPolarHBondContact CD-OD1 3.2Å; R216-D225 WeakPolarHBondContact CG-OD1 3.4Å; R216-D225 IonicContact NE-OD1 3.73Å; D225-R227 VanDerWaalsContact OD1-CG 3.26Å; D225-R227 WeakPolarHBondContact OD1-CG 3.27Å; D225-R227 IonicContact OD1-NE 3.43Å; D225-R227 PolarHBondContact OD1-NE 2.72Å; D225-R227 IonicContact OD2-CZ 3.54Å; D225-R227 IonicContact OD2-NE 3.04Å; D225-R227 PolarHBondContact OD2-NE 3Å; D225-R227 IonicContact OD2-NH2 3.13Å; D225-R227 PolarHBondContact OD2-NH2 3.06Å; D225-R227 VanDerWaalsContact OD2-NH2 3.13Å; D225-V400 HydrophobicContact CB-CB 4.09Å; D225-V400 HydrophobicContact CB-CG2 3.97Å; D225-V400 PolarHBondContact O-N 2.94Å
226V98Very high96Very high0 Ų041.4 Ų41.40%024%0.235CC..EExtended strand (participates in β ladder)trans-123.3132173-175.90000107.6R216 V217 T218 Q224 L397 L398 A399 T457 Y491R216-V226 CarbonylContact C-O 3.49Å; R216-V226 WeakPolarHBondContact CA-O 3.09Å; V217-V226 HydrophobicContact CG2-CB 4.15Å; V217-V226 HydrophobicContact CG2-CG1 3.91Å; V217-V226 VanDerWaalsContact CG2-O 3.31Å; V217-V226 WeakPolarHBondContact CG2-O 3.32Å; V217-V226 PolarHBondContact N-O 2.84Å; T218-V226 HydrophobicContact CG2-CB 3.83Å; T218-V226 HydrophobicContact CG2-CG2 3.92Å; T218-V226 PolarHBondContact OG1-N 3.12Å; Q224-V226 HydrophobicContact CG-CG2 3.93Å; V226-L397 HydrophobicContact CG1-CD1 3.74Å; V226-L397 HydrophobicContact CG1-CG 4.1Å; V226-L398 CarbonylContact C-O 3.6Å; V226-L398 VanDerWaalsContact CA-O 3.25Å; V226-L398 WeakPolarHBondContact CA-O 3.41Å; V226-L398 WeakPolarHBondContact CG1-O 3.35Å; V226-A399 HydrophobicContact CG2-CB 4.03Å; V226-T457 HydrophobicContact CG1-CG2 4.07Å; V226-Y491 HydrophobicContact CB-CE1 4.21Å; V226-Y491 HydrophobicContact CG1-CE1 4.17Å; V226-Y491 HydrophobicContact CG2-CE1 4.48Å; V226-Y491 WeakPolarHBondContact CG2-OH 3.48Å
227R98.2Very high95.7Very high50 Ų5042 Ų4219%0.18925%0.245CC..EExtended strand (participates in β ladder)trans-123145.8-173.6-53.7-157.5178.4-176.74.7111.9N214 R215 D225 L229 L397 L398 V400 A420N214-R227 PolarHBondContact ND2-NH1 3.29Å; N214-R227 WeakPolarHBondContact OD1-CD 3.44Å; N214-R227 PolarHBondContact OD1-NH1 2.85Å; R215-R227 CarbonylContact O-C 3.49Å; R215-R227 WeakPolarHBondContact O-CA 3.19Å; D225-R227 VanDerWaalsContact OD1-CG 3.26Å; D225-R227 WeakPolarHBondContact OD1-CG 3.27Å; D225-R227 IonicContact OD1-NE 3.43Å; D225-R227 PolarHBondContact OD1-NE 2.72Å; D225-R227 IonicContact OD2-CZ 3.54Å; D225-R227 IonicContact OD2-NE 3.04Å; D225-R227 PolarHBondContact OD2-NE 3Å; D225-R227 IonicContact OD2-NH2 3.13Å; D225-R227 PolarHBondContact OD2-NH2 3.06Å; D225-R227 VanDerWaalsContact OD2-NH2 3.13Å; R227-L229 HydrophobicContact CB-CD2 4.14Å; R227-L397 CarbonylContact O-C 3.56Å; R227-L397 WeakPolarHBondContact O-CA 3.24Å; R227-L398 PolarHBondContact N-O 2.99Å; R227-L398 PolarHBondContact O-N 3.17Å; R227-V400 HydrophobicContact CG-CG2 4.37Å; R227-A420 VanDerWaalsContact CZ-O 3.24Å; R227-A420 PolarHBondContact NH1-O 2.62Å; R227-A420 PolarHBondContact NH2-O 2.87Å
228L98.6Very high95.6Very high9 Ų940.8 Ų40.85%0.04724%0.237CC..EExtended strand (participates in β ladder)trans-100.8113.6165-176.169.1000107.5R215 V217 Q395 V396 F492R215-L228 PolarHBondContact N-O 2.86Å; R215-L228 VanDerWaalsContact N-O 3.07Å; R215-L228 PolarHBondContact O-N 3.26Å; V217-L228 HydrophobicContact CG1-CB 3.63Å; L228-Q395 HydrophobicContact CD1-CB 4.15Å; L228-V396 WeakPolarHBondContact CA-O 3.39Å; L228-F492 HydrophobicContact CD1-CE1 3.98Å; L228-F492 HydrophobicContact CD1-CZ 4.02Å; L228-F492 HydrophobicContact CD2-CE1 3.99Å
229L98.6Very high95.4Very high0 Ų047.7 Ų47.70%027%0.269CS..EExtended strand (participates in β ladder)trans-96.4145.8175.1-48.9-178.6000109S213 N214 R227 F231 Q395 V396 L398 L419S213-L229 WeakPolarHBondContact O-CA 3.41Å; N214-L229 HydrophobicContact CB-CD2 4.05Å; N214-L229 VanDerWaalsContact CG-CD2 3.46Å; N214-L229 WeakPolarHBondContact OD1-CD2 3.47Å; R227-L229 HydrophobicContact CB-CD2 4.14Å; L229-F231 HydrophobicContact CB-CE2 3.71Å; L229-F231 HydrophobicContact CB-CZ 3.96Å; L229-F231 HydrophobicContact CD1-CE2 4.29Å; L229-F231 HydrophobicContact CD1-CZ 4.05Å; L229-Q395 CarbonylContact O-C 3.46Å; L229-Q395 WeakPolarHBondContact O-CA 3.35Å; L229-V396 HydrophobicContact CB-CB 4.34Å; L229-V396 PolarHBondContact N-O 3.05Å; L229-V396 PolarHBondContact O-N 3.18Å; L229-L398 HydrophobicContact CD1-CB 4.37Å; L229-L398 HydrophobicContact CD1-CD2 3.92Å; L229-L419 HydrophobicContact CD1-CB 3.93Å; L229-L419 HydrophobicContact CD1-CD1 3.83Å; L229-L419 HydrophobicContact CD1-CD2 4.22Å; L229-L419 HydrophobicContact CD1-CG 4.21Å
230D98.4Very high95.3Very high2 Ų245.4 Ų45.41%0.01126%0.256CS..EExtended strand (participates in β ladder)trans-132.4130.2178.9-158.9-43.6000110.1M211 L212 S213 R393 Q395M211-D230 CarbonylContact C-O 3.49Å; L212-D230 HydrophobicContact CB-CB 4.21Å; L212-D230 PolarHBondContact N-O 3.03Å; S213-D230 PolarHBondContact N-O 3.3Å; S213-D230 PolarHBondContact O-N 2.98Å; S213-D230 WeakPolarHBondContact OG-CB 3.4Å; D230-R393 IonicContact OD1-CZ 3.59Å; D230-R393 IonicContact OD1-NE 2.95Å; D230-R393 PolarHBondContact OD1-NE 2.83Å; D230-R393 IonicContact OD1-NH2 3.39Å; D230-R393 PolarHBondContact OD1-NH2 3.34Å; D230-R393 IonicContact OD2-CZ 3.23Å; D230-R393 VanDerWaalsContact OD2-CZ 3.23Å; D230-R393 IonicContact OD2-NE 3.28Å; D230-R393 PolarHBondContact OD2-NE 3.2Å; D230-R393 IonicContact OD2-NH2 2.61Å; D230-R393 PolarHBondContact OD2-NH2 3.15Å; D230-Q395 HydrophobicContact CB-CG 4.24Å; D230-Q395 PolarHBondContact OD2-NE2 3.17Å
231F98.5Very high95.3Very high0 Ų043.7 Ų43.70%025%0.246CC..EExtended strand (participates in β ladder)trans-124.7135.7-175.1-60.4-77.3000110.9A209 R210 M211 L229 I248 R393 L394 V396 L419 V431 L433A209-F231 HydrophobicContact CB-CB 4.13Å; A209-F231 HydrophobicContact CB-CD1 4.34Å; R210-F231 WeakPolarHBondContact O-CA 3.4Å; M211-F231 HydrophobicContact CB-CD1 4.17Å; M211-F231 HydrophobicContact CB-CE1 4.04Å; M211-F231 HydrophobicContact CE-CE1 3.68Å; M211-F231 HydrophobicContact CE-CZ 3.93Å; M211-F231 HydrophobicContact CG-CD1 4.48Å; M211-F231 HydrophobicContact CG-CE1 4.13Å; L229-F231 HydrophobicContact CB-CE2 3.71Å; L229-F231 HydrophobicContact CB-CZ 3.96Å; L229-F231 HydrophobicContact CD1-CE2 4.29Å; L229-F231 HydrophobicContact CD1-CZ 4.05Å; F231-I248 HydrophobicContact CE2-CD1 4.2Å; F231-I248 HydrophobicContact CZ-CD1 4.25Å; F231-R393 WeakPolarHBondContact O-CA 3.46Å; F231-L394 HydrophobicContact CB-CB 4.49Å; F231-L394 HydrophobicContact CD2-CD2 4.17Å; F231-L394 WeakPolarHBondContact CD2-O 3.41Å; F231-L394 PolarHBondContact N-O 3.38Å; F231-L394 PolarHBondContact O-N 3.48Å; F231-V396 HydrophobicContact CE2-CB 4.47Å; F231-V396 HydrophobicContact CE2-CG2 4.11Å; F231-L419 HydrophobicContact CZ-CD2 4.39Å; F231-V431 HydrophobicContact CD1-CB 4.3Å; F231-V431 HydrophobicContact CE1-CB 3.72Å; F231-V431 HydrophobicContact CE1-CG1 3.95Å; F231-V431 HydrophobicContact CE1-CG2 3.77Å; F231-V431 HydrophobicContact CZ-CG1 4.3Å; F231-L433 HydrophobicContact CB-CD2 4.23Å; F231-L433 HydrophobicContact CD1-CD2 4.24Å; F231-L433 HydrophobicContact CD2-CD2 4.24Å; F231-L433 HydrophobicContact CG-CD2 3.98Å
232D97.8Very high95.3Very high34 Ų3439.3 Ų39.318%0.18222%0.22CC..EExtended strand (participates in β ladder)trans-82.3121.3168.5-169.3-8.1000109.4R210 L212 S234R210-D232 HydrophobicContact CB-CB 4.24Å; R210-D232 IonicContact CZ-OD2 3.45Å; R210-D232 IonicContact NE-OD2 2.84Å; R210-D232 IonicContact NH2-OD2 3.28Å; R210-D232 PolarHBondContact NH2-OD2 3.43Å; R210-D232 PolarHBondContact O-N 2.97Å; L212-D232 HydrophobicContact CD1-CB 4.05Å; L212-D232 HydrophobicContact CD2-CB 3.97Å; L212-D232 HydrophobicContact CG-CB 3.99Å; D232-S234 WeakPolarHBondContact OD1-CB 3.43Å; D232-S234 PolarHBondContact OD1-N 3.14Å; D232-S234 PolarHBondContact OD1-OG 3.37Å
233I96.3Very high95.2Very high5 Ų538.6 Ų38.63%0.02622%0.217CC..  trans-114.618.8177.860.4160.7000111.9F207 A209 S236 I238 F240 L387 S392 L394 L433F207-I233 HydrophobicContact CE1-CB 4.44Å; F207-I233 HydrophobicContact CE1-CG2 4.47Å; A209-I233 HydrophobicContact CB-CG2 4.45Å; I233-S236 VanDerWaalsContact O-CB 3.25Å; I233-S236 WeakPolarHBondContact O-CB 3.45Å; I233-S236 PolarHBondContact O-N 2.8Å; I233-S236 PolarHBondContact O-OG 3.38Å; I233-I238 HydrophobicContact CB-CD1 4.47Å; I233-I238 HydrophobicContact CD1-CB 4.11Å; I233-I238 HydrophobicContact CD1-CG2 4.02Å; I233-I238 HydrophobicContact CG2-CD1 4.31Å; I233-F240 HydrophobicContact CD1-CD1 4.31Å; I233-F240 HydrophobicContact CD1-CE1 3.74Å; I233-L387 HydrophobicContact CD1-CD2 4.11Å; I233-S392 WeakPolarHBondContact CG1-O 3.35Å; I233-S392 PolarHBondContact N-O 3.49Å; I233-L394 HydrophobicContact CG2-CB 4.12Å; I233-L433 HydrophobicContact CG2-CD1 4.35Å
234S94.4Very high95.4Very high62 Ų6233.4 Ų33.443%0.43420%0.195SC..THydrogen-bonded Turntrans-57.8138.9175-56.60000111.2D232 S236 S392D232-S234 WeakPolarHBondContact OD1-CB 3.43Å; D232-S234 PolarHBondContact OD1-N 3.14Å; D232-S234 PolarHBondContact OD1-OG 3.37Å; S234-S236 PolarHBondContact O-N 3.04Å; S234-S392 WeakPolarHBondContact OG-CB 3.21Å
235G89.5Confident95.5Very high69 Ų6931 Ų3171%0.71119%0.185SC*.THydrogen-bonded Turntrans72.64.3-179.100000115.4
236S90.2Very high95.5Very high5 Ų529.4 Ų29.44%0.03518%0.176CC..SBendtrans-89.7-14.9-18071.20000114.6P201 F207 I233 S234 I238P201-S236 WeakPolarHBondContact CD-O 3.4Å; F207-S236 VanDerWaalsContact CE2-CB 3.44Å; I233-S236 VanDerWaalsContact O-CB 3.25Å; I233-S236 WeakPolarHBondContact O-CB 3.45Å; I233-S236 PolarHBondContact O-N 2.8Å; I233-S236 PolarHBondContact O-OG 3.38Å; S234-S236 PolarHBondContact O-N 3.04Å; S236-I238 PolarHBondContact O-N 2.87Å; S236-I238 VanDerWaalsContact OG-CB 3.24Å; S236-I238 WeakPolarHBondContact OG-CB 3.25Å; S236-I238 WeakPolarHBondContact OG-CD1 3.47Å; S236-I238 VanDerWaalsContact OG-CG1 3.23Å; S236-I238 WeakPolarHBondContact OG-CG1 3.46Å; S236-I238 PolarHBondContact OG-N 3.37Å
237N90.7Very high95.4Very high98 Ų9830.3 Ų30.352%0.52418%0.181SC..  trans5514.5-166.8-60.8-38.7000114.5R198 V200 Q239R198-N237 PolarHBondContact O-ND2 3.47Å; V200-N237 HydrophobicContact CG2-CB 4.32Å; N237-Q239 PolarHBondContact O-N 3.2Å
238I93.9Very high95.4Very high11 Ų1128 Ų286%0.05617%0.172CC..  trans-65.5125.8175.9-68.9169.7000109P201 F207 I233 S236 F240 L433 V435P201-I238 HydrophobicContact CB-CD1 4.42Å; P201-I238 HydrophobicContact CB-CG1 4.42Å; P201-I238 HydrophobicContact CG-CD1 4.03Å; P201-I238 HydrophobicContact CG-CG1 3.85Å; F207-I238 HydrophobicContact CB-CD1 4.28Å; F207-I238 HydrophobicContact CD1-CD1 4.2Å; F207-I238 HydrophobicContact CG-CD1 4.37Å; I233-I238 HydrophobicContact CB-CD1 4.47Å; I233-I238 HydrophobicContact CD1-CB 4.11Å; I233-I238 HydrophobicContact CD1-CG2 4.02Å; I233-I238 HydrophobicContact CG2-CD1 4.31Å; S236-I238 PolarHBondContact O-N 2.87Å; S236-I238 VanDerWaalsContact OG-CB 3.24Å; S236-I238 WeakPolarHBondContact OG-CB 3.25Å; S236-I238 WeakPolarHBondContact OG-CD1 3.47Å; S236-I238 VanDerWaalsContact OG-CG1 3.23Å; S236-I238 WeakPolarHBondContact OG-CG1 3.46Å; S236-I238 PolarHBondContact OG-N 3.37Å; I238-F240 HydrophobicContact CG2-CD1 4.1Å; I238-L433 HydrophobicContact CD1-CD1 3.85Å; I238-V435 HydrophobicContact CG2-CB 4.05Å; I238-V435 HydrophobicContact CG2-CG2 3.5Å
239Q93.7Very high95.2Very high155 Ų15528.5 Ų28.572%0.72417%0.173SC*.  trans-119138.3172.6-65.5-68.4-14.200108.7N237N237-Q239 PolarHBondContact O-N 3.2Å
240F95.4Very high95.1Very high12 Ų1228.6 Ų28.65%0.05317%0.174CC..  trans-152152.7177.867.2-102.9000111.7I233 I238 D244 I383 S385 L387 L394 V435I233-F240 HydrophobicContact CD1-CD1 4.31Å; I233-F240 HydrophobicContact CD1-CE1 3.74Å; I238-F240 HydrophobicContact CG2-CD1 4.1Å; F240-D244 HydrophobicContact CB-CB 4.17Å; F240-I383 HydrophobicContact CB-CD1 3.96Å; F240-I383 HydrophobicContact CD1-CD1 4.2Å; F240-I383 HydrophobicContact CD2-CD1 3.89Å; F240-I383 HydrophobicContact CD2-CG2 4.01Å; F240-I383 HydrophobicContact CE2-CD1 4.43Å; F240-I383 HydrophobicContact CE2-CG2 3.59Å; F240-I383 HydrophobicContact CG-CD1 3.77Å; F240-I383 HydrophobicContact CZ-CG2 4Å; F240-S385 WeakPolarHBondContact CE2-O 3.39Å; F240-L387 HydrophobicContact CD1-CD1 3.88Å; F240-L387 HydrophobicContact CD1-CD2 4.12Å; F240-L387 HydrophobicContact CD1-CG 3.91Å; F240-L387 HydrophobicContact CD2-CD1 4.46Å; F240-L387 HydrophobicContact CD2-CG 4.1Å; F240-L387 HydrophobicContact CE1-CD1 4.05Å; F240-L387 HydrophobicContact CE1-CD2 3.43Å; F240-L387 VanDerWaalsContact CE1-CD2 3.43Å; F240-L387 HydrophobicContact CE1-CG 3.6Å; F240-L387 HydrophobicContact CE2-CD2 4.3Å; F240-L387 HydrophobicContact CE2-CG 3.77Å; F240-L387 HydrophobicContact CG-CD1 4.1Å; F240-L387 HydrophobicContact CG-CG 4.15Å; F240-L387 HydrophobicContact CZ-CD1 4.4Å; F240-L387 HydrophobicContact CZ-CD2 3.53Å; F240-L387 HydrophobicContact CZ-CG 3.52Å; F240-L387 WeakPolarHBondContact O-CD1 3.5Å; F240-L394 HydrophobicContact CD1-CD1 4.22Å; F240-L394 HydrophobicContact CE1-CB 4.11Å; F240-L394 HydrophobicContact CE1-CD1 3.94Å; F240-L394 HydrophobicContact CE1-CG 4.12Å; F240-L394 HydrophobicContact CZ-CB 4.36Å; F240-L394 HydrophobicContact CZ-CG 4.35Å; F240-V435 HydrophobicContact CB-CG1 3.83Å; F240-V435 HydrophobicContact CD1-CG2 4.39Å
241S95.3Very high95Very high63 Ų6329.7 Ų29.744%0.44118%0.179SC..  trans-117165.7173.5-64.10000110.7G243 D244S241-G243 PolarHBondContact O-N 3.04Å; S241-D244 PolarHBondContact N-OD2 2.92Å; S241-D244 WeakPolarHBondContact O-CB 3.39Å; S241-D244 PolarHBondContact O-N 3.34Å
242A94.6Very high94.9Very high9 Ų930 Ų307%0.07418%0.181CC..THydrogen-bonded Turntrans-52.3131.5171.400000111.6F442 A464 A465 E468A242-F442 HydrophobicContact CB-CD2 3.87Å; A242-F442 HydrophobicContact CB-CE2 3.86Å; A242-F442 WeakPolarHBondContact O-CD2 3.23Å; A242-F442 WeakPolarHBondContact O-CE2 3.24Å; A242-A464 HydrophobicContact CB-CB 4.25Å; A242-A465 VanDerWaalsContact CB-CA 3.4Å; A242-A465 HydrophobicContact CB-CB 3.86Å; A242-E468 HydrophobicContact CB-CB 4.47Å; A242-E468 WeakPolarHBondContact CB-OE2 3.49Å; A242-E468 PolarHBondContact N-OE2 3.12Å
243G94Very high94.8Very high0 Ų030.6 Ų30.60%019%0.188CC..THydrogen-bonded Turntrans94.1-5.8-175.500000114.6S241 G438S241-G243 PolarHBondContact O-N 3.04Å; G243-G438 VanDerWaalsContact O-CA 3.22Å; G243-G438 WeakPolarHBondContact O-CA 3.03Å
244D96.3Very high94.7Very high13 Ų1334 Ų347%0.0720%0.203CC..  trans-78.6162.5170.4-69.7-23.9000112.8F240 S241 I383 V435 R437 G438 R441F240-D244 HydrophobicContact CB-CB 4.17Å; S241-D244 PolarHBondContact N-OD2 2.92Å; S241-D244 WeakPolarHBondContact O-CB 3.39Å; S241-D244 PolarHBondContact O-N 3.34Å; D244-I383 HydrophobicContact CB-CD1 4.2Å; D244-I383 WeakPolarHBondContact O-CG1 3.5Å; D244-I383 PolarHBondContact O-N 3.16Å; D244-I383 VanDerWaalsContact O-N 3.12Å; D244-V435 HydrophobicContact CB-CG1 4.1Å; D244-R437 VanDerWaalsContact OD1-CA 3.24Å; D244-R437 WeakPolarHBondContact OD1-CA 3.37Å; D244-G438 PolarHBondContact OD1-N 2.84Å; D244-R441 IonicContact OD1-NH1 2.65Å; D244-R441 PolarHBondContact OD1-NH1 3.43Å
245V95.8Very high94.8Very high20 Ų2036.6 Ų36.612%0.12121%0.213CC..EExtended strand (participates in β ladder)trans-124.6132.3-169.2174.70000109.3F381 K436V245-F381 WeakPolarHBondContact CA-O 3.37Å; V245-F381 WeakPolarHBondContact CG1-O 3.43Å; V245-K436 PolarHBondContact N-O 3.17Å; V245-K436 PolarHBondContact O-N 2.97Å
246V97.4Very high95.1Very high0 Ų034.7 Ų34.70%019%0.186CC..EExtended strand (participates in β ladder)trans-89.4135.7169.866.20000109.6I248 S380 F381 I383 L394 V396 L433 W434V246-I248 HydrophobicContact CG1-CD1 4.49Å; V246-I248 HydrophobicContact CG1-CG1 4.47Å; V246-I248 HydrophobicContact CG2-CG1 4.2Å; V246-S380 CarbonylContact O-C 3.49Å; V246-S380 WeakPolarHBondContact O-CA 3.19Å; V246-F381 HydrophobicContact CG1-CB 3.96Å; V246-F381 WeakPolarHBondContact CG1-O 3.1Å; V246-F381 PolarHBondContact N-O 2.94Å; V246-F381 PolarHBondContact O-N 3.23Å; V246-I383 HydrophobicContact CB-CD1 4.4Å; V246-I383 HydrophobicContact CB-CG1 4.03Å; V246-I383 HydrophobicContact CG1-CG1 4.28Å; V246-L394 HydrophobicContact CB-CD1 4.07Å; V246-L394 HydrophobicContact CB-CD2 4.05Å; V246-L394 HydrophobicContact CG1-CD2 3.94Å; V246-L394 HydrophobicContact CG2-CD1 3.95Å; V246-L394 HydrophobicContact CG2-CD2 4.1Å; V246-V396 HydrophobicContact CG1-CG2 3.57Å; V246-L433 HydrophobicContact CG2-CB 3.95Å; V246-L433 HydrophobicContact CG2-CD1 4.23Å; V246-L433 HydrophobicContact CG2-CD2 4.2Å; V246-L433 HydrophobicContact CG2-CG 4.37Å; V246-W434 WeakPolarHBondContact CG2-O 3.32Å
247L96.5Very high95.4Very high20 Ų2034.5 Ų34.511%0.10519%0.185CC..EExtended strand (participates in β ladder)trans-102.1126.3168.8-70.599.9000108.4P378 R379 L433 W434 K436L247-P378 HydrophobicContact CB-CB 4.29Å; L247-P378 HydrophobicContact CD2-CB 4.21Å; L247-P378 HydrophobicContact CD2-CG 3.98Å; L247-R379 WeakPolarHBondContact CA-O 3.47Å; L247-L433 WeakPolarHBondContact O-CA 3.29Å; L247-L433 WeakPolarHBondContact O-CB 3.11Å; L247-W434 HydrophobicContact CB-CD2 3.74Å; L247-W434 HydrophobicContact CB-CE3 3.95Å; L247-W434 HydrophobicContact CB-CG 4.45Å; L247-W434 HydrophobicContact CB-CH2 3.9Å; L247-W434 HydrophobicContact CB-CZ2 3.63Å; L247-W434 HydrophobicContact CB-CZ3 4.01Å; L247-W434 HydrophobicContact CD2-CH2 4.38Å; L247-W434 HydrophobicContact CD2-CZ2 3.7Å; L247-W434 HydrophobicContact CG-CZ2 4.14Å; L247-W434 PolarHBondContact N-O 3.43Å; L247-W434 PolarHBondContact O-N 3.45Å; L247-K436 HydrophobicContact CD1-CB 3.43Å; L247-K436 VanDerWaalsContact CD1-CB 3.43Å; L247-K436 HydrophobicContact CD1-CD 4.23Å; L247-K436 HydrophobicContact CD1-CG 4.48Å
248I97.4Very high95.7Very high0 Ų034 Ų340%018%0.179CC..EExtended strand (participates in β ladder)trans-116128.2179-64.3178.5000108.3F231 V246 P250 P378 R379 F381 V396 W418 L419 V431 L433F231-I248 HydrophobicContact CE2-CD1 4.2Å; F231-I248 HydrophobicContact CZ-CD1 4.25Å; V246-I248 HydrophobicContact CG1-CD1 4.49Å; V246-I248 HydrophobicContact CG1-CG1 4.47Å; V246-I248 HydrophobicContact CG2-CG1 4.2Å; I248-P250 WeakPolarHBondContact O-CD 3.38Å; I248-P378 CarbonylContact O-C 3.58Å; I248-P378 WeakPolarHBondContact O-CA 3.39Å; I248-R379 PolarHBondContact N-O 2.98Å; I248-R379 PolarHBondContact O-N 3.34Å; I248-F381 HydrophobicContact CB-CD2 4.49Å; I248-F381 HydrophobicContact CB-CE2 4.29Å; I248-F381 HydrophobicContact CD1-CD2 3.87Å; I248-F381 HydrophobicContact CD1-CE2 4.06Å; I248-F381 HydrophobicContact CG1-CD2 4.26Å; I248-F381 HydrophobicContact CG1-CE2 4.47Å; I248-V396 HydrophobicContact CD1-CG2 4.46Å; I248-W418 HydrophobicContact CG2-CZ3 3.73Å; I248-L419 HydrophobicContact CD1-CD1 4.01Å; I248-L419 HydrophobicContact CG2-CD1 4.32Å; I248-L419 HydrophobicContact CG2-CD2 4.29Å; I248-V431 HydrophobicContact CG2-CG1 3.61Å; I248-L433 HydrophobicContact CG1-CB 4.11Å
249R94.7Very high95.9Very high20 Ų2037.7 Ų37.78%0.07519%0.193CC..  trans-92.3114.1175.7-169.8170.4-179.2121.90.6110L206 R298 E375 W418 P432 W434L206-R249 HydrophobicContact CD1-CB 4.44Å; R249-R298 PolarHBondContact NE-O 3.25Å; R249-R298 PolarHBondContact NH2-O 3.32Å; R249-E375 IonicContact CZ-OE1 2.55Å; R249-E375 VanDerWaalsContact CZ-OE1 3.22Å; R249-E375 IonicContact NH1-OE1 2.7Å; R249-E375 PolarHBondContact NH1-OE1 2.71Å; R249-E375 IonicContact NH2-OE1 3.9Å; R249-E375 PolarHBondContact NH2-OE1 2.92Å; R249-W418 WeakPolarHBondContact O-CH2 3.38Å; R249-W418 WeakPolarHBondContact O-CZ3 3.48Å; R249-P432 HydrophobicContact CB-CB 4.4Å; R249-P432 PolarHBondContact N-O 3.12Å; R249-W434 HydrophobicContact CB-CZ3 4.48Å
250P96.4Very high96.1Very high3 Ų330.3 Ų30.32%0.01916%0.158CC..  trans-82.3175.2-179.138.2-38.4000112.3I248 I376 L414 C415 W418I248-P250 WeakPolarHBondContact O-CD 3.38Å; P250-I376 HydrophobicContact CG-CG2 3.58Å; P250-L414 HydrophobicContact CB-CD2 4.46Å; P250-L414 HydrophobicContact CB-CG 4.12Å; P250-L414 HydrophobicContact CG-CD2 3.89Å; P250-L414 HydrophobicContact CG-CG 4.03Å; P250-C415 HydrophobicContact CB-CB 3.68Å; P250-C415 HydrophobicContact CG-CB 3.87Å; P250-W418 HydrophobicContact CB-CD2 4.33Å; P250-W418 HydrophobicContact CB-CE3 3.77Å; P250-W418 HydrophobicContact CB-CZ3 4.26Å
251Q95.9Very high96.1Very high25 Ų2530 Ų3012%0.11716%0.157CC..  trans-131.6151.6176.8-63.2173-16.800109.5E297 R298 L414 W418Q251-E297 CarbonylContact C-O 3.52Å; Q251-E297 VanDerWaalsContact CA-O 3.26Å; Q251-E297 WeakPolarHBondContact CA-O 3.32Å; Q251-E297 HydrophobicContact CB-CG 4.12Å; Q251-R298 HydrophobicContact CG-CG 4.18Å; Q251-L414 WeakPolarHBondContact O-CD1 3.18Å; Q251-W418 HydrophobicContact CB-CZ2 4.46Å; Q251-W418 HydrophobicContact CG-CZ2 4.11Å
252N97.1Very high96.2Very high5 Ų533.8 Ų33.83%0.02717%0.168CC..  trans-68.6158.1171.6-68.6-50.6000111.1V257 V296 E297 L300 V302 L414N252-V257 HydrophobicContact CB-CG2 4.23Å; N252-V296 PolarHBondContact ND2-O 2.97Å; N252-E297 PolarHBondContact N-O 3.15Å; N252-L300 PolarHBondContact ND2-O 2.74Å; N252-V302 HydrophobicContact CB-CG2 4.44Å; N252-L414 WeakPolarHBondContact OD1-CD1 3.49Å
253S94.9Very high96.3Very high48 Ų4835.4 Ų35.434%0.33618%0.175SC..  trans-72.9151.3174.973.30000111D255 D256 V257S253-D255 PolarHBondContact O-N 3.06Å; S253-D256 PolarHBondContact O-N 2.9Å; S253-D256 PolarHBondContact OG-N 2.94Å; S253-D256 PolarHBondContact OG-OD2 3.38Å; S253-V257 WeakPolarHBondContact O-CG2 3.39Å; S253-V257 PolarHBondContact O-N 3.06Å
254E94.9Very high96.4Very high75 Ų7536.1 Ų36.135%0.3518%0.179SC..Hα-helixtrans-54.5-39.9174.6-179.563-158.200111.4D256 V257 Q258 R293E254-D256 PolarHBondContact O-N 3.04Å; E254-V257 PolarHBondContact O-N 2.83Å; E254-Q258 HydrophobicContact CG-CG 4.48Å; E254-Q258 WeakPolarHBondContact O-CB 3.42Å; E254-Q258 VanDerWaalsContact O-CG 3.32Å; E254-Q258 WeakPolarHBondContact O-CG 3.43Å; E254-Q258 PolarHBondContact O-N 3.01Å; E254-Q258 PolarHBondContact OE1-NE2 3.02Å; E254-R293 IonicContact OE1-CZ 3.73Å; E254-R293 IonicContact OE1-NH1 2.79Å; E254-R293 PolarHBondContact OE1-NH1 2.82Å; E254-R293 IonicContact OE1-NH2 3.23Å; E254-R293 IonicContact OE2-NH1 2.8Å; E254-R293 PolarHBondContact OE2-NH1 2.9Å
255D95.1Very high96.3Very high117 Ų11744.8 Ų44.863%0.62621%0.211SC*.Hα-helixtrans-60.8-42.3176.9-66.5-14.8000112.2S253 R259S253-D255 PolarHBondContact O-N 3.06Å; D255-R259 VanDerWaalsContact O-CB 3.27Å; D255-R259 WeakPolarHBondContact O-CB 3.13Å; D255-R259 PolarHBondContact O-N 3.29Å
256D95.9Very high96.3Very high29 Ų2945.2 Ų45.216%0.15521%0.212CC..Hα-helixtrans-70.8-37.3178.9-64.9-40.8000111.1S253 E254 F260 V302 L351 R409S253-D256 PolarHBondContact O-N 2.9Å; S253-D256 PolarHBondContact OG-N 2.94Å; S253-D256 PolarHBondContact OG-OD2 3.38Å; E254-D256 PolarHBondContact O-N 3.04Å; D256-F260 VanDerWaalsContact O-CB 3.24Å; D256-F260 WeakPolarHBondContact O-CB 3.26Å; D256-F260 PolarHBondContact O-N 3.24Å; D256-V302 HydrophobicContact CB-CG2 4.3Å; D256-L351 HydrophobicContact CB-CD2 3.8Å; D256-R409 IonicContact OD1-NH2 2.6Å
257V97.7Very high96.2Very high1 Ų148.5 Ų48.51%0.00623%0.23CC..Hα-helixtrans-62.2-48.9174.5174.20000110.6N252 S253 E254 F260 C261 R293 V296 E297N252-V257 HydrophobicContact CB-CG2 4.23Å; S253-V257 WeakPolarHBondContact O-CG2 3.39Å; S253-V257 PolarHBondContact O-N 3.06Å; E254-V257 PolarHBondContact O-N 2.83Å; V257-F260 PolarHBondContact O-N 3.08Å; V257-C261 PolarHBondContact O-N 3.33Å; V257-C261 PolarHBondContact O-SG 3.2Å; V257-R293 HydrophobicContact CG1-CG 4.39Å; V257-V296 HydrophobicContact CB-CG1 4.35Å; V257-V296 HydrophobicContact CG1-CB 4.33Å; V257-V296 HydrophobicContact CG1-CG1 4.35Å; V257-V296 HydrophobicContact CG2-CB 4.45Å; V257-V296 HydrophobicContact CG2-CG1 4.05Å; V257-E297 HydrophobicContact CG2-CB 3.98Å
258Q97.4Very high96.2Very high87 Ų8749 Ų4941%0.40723%0.234SC..Hα-helixtrans-62-47178.7-72.6178.29.400111.4E254 F260 C261 Q262E254-Q258 HydrophobicContact CG-CG 4.48Å; E254-Q258 WeakPolarHBondContact O-CB 3.42Å; E254-Q258 VanDerWaalsContact O-CG 3.32Å; E254-Q258 WeakPolarHBondContact O-CG 3.43Å; E254-Q258 PolarHBondContact O-N 3.01Å; E254-Q258 PolarHBondContact OE1-NE2 3.02Å; Q258-F260 VanDerWaalsContact C-N 3.32Å; Q258-F260 PolarHBondContact O-N 2.84Å; Q258-C261 PolarHBondContact O-N 2.89Å; Q258-Q262 WeakPolarHBondContact O-CB 3.32Å; Q258-Q262 VanDerWaalsContact O-CG 3.24Å; Q258-Q262 WeakPolarHBondContact O-CG 3.35Å; Q258-Q262 PolarHBondContact O-N 3.06Å
259R96.9Very high96.1Very high90 Ų9054.1 Ų54.134%0.3426%0.258SS..Hα-helixtrans-61.6-41.1177.9-179.2175.1177161.70.5111.9D255 Q262 L263 L351D255-R259 VanDerWaalsContact O-CB 3.27Å; D255-R259 WeakPolarHBondContact O-CB 3.13Å; D255-R259 PolarHBondContact O-N 3.29Å; R259-Q262 PolarHBondContact O-N 2.8Å; R259-L263 HydrophobicContact CG-CD1 4.17Å; R259-L263 WeakPolarHBondContact O-CG 3.41Å; R259-L263 PolarHBondContact O-N 3.09Å; R259-L351 HydrophobicContact CB-CD2 4.28Å; R259-L351 HydrophobicContact CG-CD1 4.22Å; R259-L351 HydrophobicContact CG-CD2 4.26Å; R259-L351 HydrophobicContact CG-CG 4.35Å
260F97.6Very high96.1Very high0 Ų055 Ų550%027%0.268CS..Hα-helixtrans-60-51.5175.8-178.7-90.2000111D256 V257 Q258 Q262 L263 L264 L266 V296 L300 V302 L351 L354 L369 I373D256-F260 VanDerWaalsContact O-CB 3.24Å; D256-F260 WeakPolarHBondContact O-CB 3.26Å; D256-F260 PolarHBondContact O-N 3.24Å; V257-F260 PolarHBondContact O-N 3.08Å; Q258-F260 VanDerWaalsContact C-N 3.32Å; Q258-F260 PolarHBondContact O-N 2.84Å; F260-Q262 VanDerWaalsContact C-N 3.3Å; F260-Q262 PolarHBondContact O-N 2.97Å; F260-L263 PolarHBondContact O-N 3.36Å; F260-L264 HydrophobicContact CD1-CD1 4Å; F260-L264 HydrophobicContact CD2-CD1 3.79Å; F260-L264 HydrophobicContact CE1-CD1 3.79Å; F260-L264 HydrophobicContact CE1-CD2 4.46Å; F260-L264 HydrophobicContact CE2-CD1 3.53Å; F260-L264 HydrophobicContact CG-CD1 4.01Å; F260-L264 HydrophobicContact CZ-CD1 3.55Å; F260-L264 HydrophobicContact CZ-CD2 4.07Å; F260-L264 HydrophobicContact CZ-CG 4.47Å; F260-L264 WeakPolarHBondContact O-CD1 3.49Å; F260-L264 PolarHBondContact O-N 2.91Å; F260-L264 VanDerWaalsContact O-N 3.17Å; F260-L266 HydrophobicContact CE1-CD1 4.28Å; F260-V296 HydrophobicContact CB-CG1 4Å; F260-V296 HydrophobicContact CD1-CB 4.27Å; F260-V296 HydrophobicContact CD1-CG1 3.78Å; F260-V296 HydrophobicContact CD1-CG2 3.4Å; F260-V296 HydrophobicContact CE1-CG1 4.44Å; F260-V296 HydrophobicContact CE1-CG2 3.5Å; F260-V296 VanDerWaalsContact CE1-CG2 3.5Å; F260-V296 HydrophobicContact CG-CG1 3.87Å; F260-V296 HydrophobicContact CG-CG2 4.31Å; F260-V296 HydrophobicContact CZ-CG2 4.48Å; F260-L300 HydrophobicContact CZ-CD1 4.34Å; F260-V302 HydrophobicContact CD2-CB 4.47Å; F260-V302 HydrophobicContact CD2-CG1 3.7Å; F260-V302 HydrophobicContact CE2-CG1 4Å; F260-V302 HydrophobicContact CG-CG1 4.3Å; F260-L351 HydrophobicContact CB-CD1 3.8Å; F260-L351 HydrophobicContact CD2-CD1 4.02Å; F260-L351 HydrophobicContact CG-CD1 4.43Å; F260-L354 HydrophobicContact CD2-CD1 4.17Å; F260-L354 HydrophobicContact CE2-CD1 3.82Å; F260-L369 HydrophobicContact CE1-CD1 4.42Å; F260-L369 HydrophobicContact CZ-CD1 4.32Å; F260-L369 HydrophobicContact CZ-CD2 4.05Å; F260-I373 HydrophobicContact CE2-CD1 3.38Å; F260-I373 HydrophobicContact CZ-CD1 3.75Å
261C97Very high96Very high5 Ų561.3 Ų61.33%0.03429%0.291CS..Hα-helixtrans-60.2-39.8179.4-65.10000111.9V257 Q258 R265 L266V257-C261 PolarHBondContact O-N 3.33Å; V257-C261 PolarHBondContact O-SG 3.2Å; Q258-C261 PolarHBondContact O-N 2.89Å; C261-R265 CarbonylContact O-C 3.54Å; C261-R265 WeakPolarHBondContact O-CA 3.49Å; C261-R265 PolarHBondContact O-N 3.18Å; C261-L266 WeakPolarHBondContact CB-O 3.41Å; C261-L266 PolarHBondContact O-N 3.29Å
262Q96.7Very high95.9Very high142 Ų14260.2 Ų60.266%0.66429%0.286SS*.Hα-helixtrans-62.8-44.1175.8-74168.94.400112.9Q258 R259 F260 R265Q258-Q262 WeakPolarHBondContact O-CB 3.32Å; Q258-Q262 VanDerWaalsContact O-CG 3.24Å; Q258-Q262 WeakPolarHBondContact O-CG 3.35Å; Q258-Q262 PolarHBondContact O-N 3.06Å; R259-Q262 PolarHBondContact O-N 2.8Å; F260-Q262 VanDerWaalsContact C-N 3.3Å; F260-Q262 PolarHBondContact O-N 2.97Å; Q262-R265 PolarHBondContact O-N 3.16Å
263L96.4Very high95.8Very high43 Ų4362.4 Ų62.423%0.22530%0.299CS..Hα-helixtrans-64-41.4-179.2-74.7169.6000112.1R259 F260 L351 L354 A355 T361R259-L263 HydrophobicContact CG-CD1 4.17Å; R259-L263 WeakPolarHBondContact O-CG 3.41Å; R259-L263 PolarHBondContact O-N 3.09Å; F260-L263 PolarHBondContact O-N 3.36Å; L263-L351 HydrophobicContact CD1-CD1 3.75Å; L263-L354 HydrophobicContact CD1-CB 4.29Å; L263-A355 HydrophobicContact CD1-CB 3.99Å; L263-A355 HydrophobicContact CD2-CB 4.11Å; L263-T361 HydrophobicContact CB-CG2 4.1Å
264L95.6Very high95.7Very high16 Ų1661 Ų618%0.08429%0.288CS..Hα-helixtrans-92.22.5-179.9-68.397.2000114F260 L266 L354 T361 L364 L369F260-L264 HydrophobicContact CD1-CD1 4Å; F260-L264 HydrophobicContact CD2-CD1 3.79Å; F260-L264 HydrophobicContact CE1-CD1 3.79Å; F260-L264 HydrophobicContact CE1-CD2 4.46Å; F260-L264 HydrophobicContact CE2-CD1 3.53Å; F260-L264 HydrophobicContact CG-CD1 4.01Å; F260-L264 HydrophobicContact CZ-CD1 3.55Å; F260-L264 HydrophobicContact CZ-CD2 4.07Å; F260-L264 HydrophobicContact CZ-CG 4.47Å; F260-L264 WeakPolarHBondContact O-CD1 3.49Å; F260-L264 PolarHBondContact O-N 2.91Å; F260-L264 VanDerWaalsContact O-N 3.17Å; L264-L266 HydrophobicContact CB-CD1 3.9Å; L264-L266 HydrophobicContact CB-CG 3.92Å; L264-L266 HydrophobicContact CD2-CD1 4.41Å; L264-L266 PolarHBondContact O-N 3.32Å; L264-L354 HydrophobicContact CD1-CD1 4.2Å; L264-T361 HydrophobicContact CD1-CG2 4.5Å; L264-T361 HydrophobicContact CG-CG2 4.24Å; L264-L364 HydrophobicContact CD2-CB 4.46Å; L264-L364 HydrophobicContact CD2-CD2 3.81Å; L264-L364 HydrophobicContact CD2-CG 4.31Å; L264-L369 HydrophobicContact CD2-CD2 3.52Å
265R95.6Very high95.5Very high194 Ų19460.4 Ų60.473%0.73229%0.29SS*.THydrogen-bonded Turntrans54.738.1-177.4-52.3174.9-177.8166.13112.8C261 Q262C261-R265 CarbonylContact O-C 3.54Å; C261-R265 WeakPolarHBondContact O-CA 3.49Å; C261-R265 PolarHBondContact O-N 3.18Å; Q262-R265 PolarHBondContact O-N 3.16Å
266L95.3Very high95.3Very high29 Ų2957.2 Ų57.215%0.15228%0.275CS..  trans-94.7141.7176.1-63.7171.8000110F180 F260 C261 L264 V292 P366 L369F180-L266 HydrophobicContact CZ-CD2 4.49Å; F260-L266 HydrophobicContact CE1-CD1 4.28Å; C261-L266 WeakPolarHBondContact CB-O 3.41Å; C261-L266 PolarHBondContact O-N 3.29Å; L264-L266 HydrophobicContact CB-CD1 3.9Å; L264-L266 HydrophobicContact CB-CG 3.92Å; L264-L266 HydrophobicContact CD2-CD1 4.41Å; L264-L266 PolarHBondContact O-N 3.32Å; L266-V292 HydrophobicContact CB-CG1 4.05Å; L266-V292 HydrophobicContact CD1-CG1 4.18Å; L266-P366 HydrophobicContact CD2-CG 3.83Å; L266-L369 HydrophobicContact CD1-CD1 4.07Å
267D95.3Very high94.8Very high70 Ų7059.5 Ų59.537%0.37429%0.288SS..  trans-83.1123167.2163.136.4000109.6E269 S270 V292D267-E269 PolarHBondContact O-N 3.27Å; D267-E269 PolarHBondContact OD1-N 3.03Å; D267-S270 WeakPolarHBondContact CB-OG 3.32Å; D267-S270 WeakPolarHBondContact O-CB 3.46Å; D267-S270 PolarHBondContact O-N 2.74Å; D267-S270 PolarHBondContact OD2-N 2.86Å; D267-S270 PolarHBondContact OD2-OG 3.4Å; D267-V292 WeakPolarHBondContact O-CB 3.4Å; D267-V292 WeakPolarHBondContact O-CG2 3.13Å
268P95.6Very high93.8Very high31 Ų3162.5 Ų62.520%0.20131%0.308CS..THydrogen-bonded Turntrans-61.5-26.9-179.924.1-34.4000113.7R293P268-R293 HydrophobicContact CB-CB 4.1Å; P268-R293 VanDerWaalsContact O-CB 3.25Å; P268-R293 WeakPolarHBondContact O-CB 3.22Å; P268-R293 PolarHBondContact O-N 2.97Å
269E95.4Very high92.5Very high106 Ų10665.8 Ų65.850%0.49533%0.329SS..THydrogen-bonded Turntrans-88-16.2-177.1-58-50.3130.600113.2D267 R271 R293D267-E269 PolarHBondContact O-N 3.27Å; D267-E269 PolarHBondContact OD1-N 3.03Å; E269-R271 PolarHBondContact O-N 2.85Å; E269-R293 IonicContact OE1-CZ 2.92Å; E269-R293 VanDerWaalsContact OE1-CZ 3.23Å; E269-R293 IonicContact OE1-NE 3.78Å; E269-R293 PolarHBondContact OE1-NE 3.35Å; E269-R293 IonicContact OE1-NH2 2.71Å; E269-R293 PolarHBondContact OE1-NH2 2.85Å
270S94.7Very high91.3Very high40 Ų4062.9 Ų62.928%0.2832%0.324SS..  trans-56.7135.8175.1-75.50000111.6D267 S291 V292D267-S270 WeakPolarHBondContact CB-OG 3.32Å; D267-S270 WeakPolarHBondContact O-CB 3.46Å; D267-S270 PolarHBondContact O-N 2.74Å; D267-S270 PolarHBondContact OD2-N 2.86Å; D267-S270 PolarHBondContact OD2-OG 3.4Å; S270-S291 WeakPolarHBondContact O-CA 3.37Å; S270-V292 PolarHBondContact O-N 2.71Å
271R94.9Very high90.2Very high135 Ų13567.9 Ų67.951%0.50936%0.356SS..EExtended strand (participates in β ladder)trans-108.6146-177.1-67.5178.3175.9-113.2-0.8110.7F180 L181 E269 P289 C290F180-R271 CarbonylContact C-O 3.56Å; F180-R271 WeakPolarHBondContact CA-O 3.36Å; L181-R271 HydrophobicContact CD1-CB 4.35Å; L181-R271 PolarHBondContact N-O 2.99Å; E269-R271 PolarHBondContact O-N 2.85Å; R271-P289 HydrophobicContact CB-CB 4.44Å; R271-C290 CarbonylContact C-O 3.55Å; R271-C290 VanDerWaalsContact CA-O 3.26Å; R271-C290 WeakPolarHBondContact CA-O 3.33Å
272F94.3Very high89.5Confident2 Ų268.4 Ų68.41%0.00936%0.36CS..EExtended strand (participates in β ladder)trans-140.7160.117965.9-88.3000112.4L178 H179 F180 L274 C290 V292 L295L178-F272 HydrophobicContact CB-CB 4.49Å; L178-F272 HydrophobicContact CB-CD2 4.25Å; L178-F272 HydrophobicContact CB-CG 4.49Å; L178-F272 HydrophobicContact CD2-CD1 4.25Å; L178-F272 HydrophobicContact CD2-CD2 3.8Å; L178-F272 HydrophobicContact CD2-CE1 4.3Å; L178-F272 HydrophobicContact CD2-CE2 3.85Å; L178-F272 HydrophobicContact CD2-CG 4.02Å; L178-F272 HydrophobicContact CD2-CZ 4.11Å; L178-F272 HydrophobicContact CG-CD2 3.64Å; L178-F272 HydrophobicContact CG-CE2 3.91Å; L178-F272 HydrophobicContact CG-CG 4.19Å; H179-F272 CarbonylContact O-C 3.57Å; H179-F272 WeakPolarHBondContact O-CA 3.36Å; H179-F272 WeakPolarHBondContact O-CB 3.47Å; F180-F272 HydrophobicContact CD1-CB 4.09Å; F180-F272 HydrophobicContact CE1-CB 4.26Å; F180-F272 HydrophobicContact CE1-CD1 4.32Å; F180-F272 HydrophobicContact CG-CB 4.31Å; F272-L274 HydrophobicContact CD2-CD2 4.15Å; F272-L274 HydrophobicContact CD2-CG 4.04Å; F272-L274 HydrophobicContact CE2-CD1 4.08Å; F272-L274 HydrophobicContact CE2-CD2 3.88Å; F272-L274 HydrophobicContact CE2-CG 3.73Å; F272-C290 HydrophobicContact CD1-CB 4.49Å; F272-C290 VanDerWaalsContact CD1-O 3.28Å; F272-C290 WeakPolarHBondContact CD1-O 3.49Å; F272-C290 HydrophobicContact CD2-CB 4.49Å; F272-C290 HydrophobicContact CE1-CB 3.94Å; F272-C290 HydrophobicContact CE2-CB 3.95Å; F272-C290 HydrophobicContact CZ-CB 3.63Å; F272-C290 PolarHBondContact N-O 3.06Å; F272-C290 PolarHBondContact O-N 3Å; F272-V292 HydrophobicContact CD1-CG2 4.39Å; F272-V292 HydrophobicContact CE1-CG2 4.48Å; F272-L295 HydrophobicContact CE1-CB 4.21Å; F272-L295 HydrophobicContact CE1-CD2 4.13Å; F272-L295 HydrophobicContact CZ-CB 4.05Å; F272-L295 HydrophobicContact CZ-CD1 4.43Å; F272-L295 HydrophobicContact CZ-CD2 3.81Å; F272-L295 HydrophobicContact CZ-CG 4.31Å
273T94.1Very high88.7Confident50 Ų5062.5 Ų62.531%0.30733%0.333SS..EExtended strand (participates in β ladder)trans-112.9158.1162.762.30000110.1H179 L181 P289H179-T273 PolarHBondContact N-O 2.82Å; H179-T273 PolarHBondContact O-N 3.01Å; L181-T273 HydrophobicContact CD1-CG2 4.39Å; L181-T273 HydrophobicContact CD2-CG2 4.36Å; T273-P289 HydrophobicContact CG2-CB 4.38Å
274L92.6Very high87.7Confident20 Ų2065.2 Ų65.211%0.10536%0.362CS..EExtended strand (participates in β ladder)trans-112.2131.2-177.8-73.3168.5000110.5L178 F272 V282 L286 L370L178-L274 HydrophobicContact CD1-CD2 3.34Å; L178-L274 HydrophobicContact CG-CD2 3.6Å; F272-L274 HydrophobicContact CD2-CD2 4.15Å; F272-L274 HydrophobicContact CD2-CG 4.04Å; F272-L274 HydrophobicContact CE2-CD1 4.08Å; F272-L274 HydrophobicContact CE2-CD2 3.88Å; F272-L274 HydrophobicContact CE2-CG 3.73Å; L274-V282 HydrophobicContact CB-CG1 3.68Å; L274-V282 HydrophobicContact CB-CG2 4.18Å; L274-V282 HydrophobicContact CD1-CG1 3.89Å; L274-V282 HydrophobicContact CG-CG1 4.45Å; L274-L286 HydrophobicContact CD1-CD1 3.49Å; L274-L286 VanDerWaalsContact CD1-CD1 3.49Å; L274-L370 HydrophobicContact CD1-CD1 4.11Å; L274-L370 HydrophobicContact CD2-CD1 3.97Å
275T91.2Very high87Confident62 Ų6268.8 Ų68.838%0.3837%0.374SS..EExtended strand (participates in β ladder)trans-115129.7168.3-53.80000108.8Y176 T177 H179Y176-T275 CarbonylContact C-O 3.54Å; Y176-T275 WeakPolarHBondContact CA-O 3.48Å; T177-T275 PolarHBondContact N-O 3.18Å; T177-T275 PolarHBondContact O-N 2.86Å; H179-T275 PolarHBondContact CD2-OG1 3.39Å; H179-T275 WeakPolarHBondContact NE2-CB 3.44Å; H179-T275 PolarHBondContact NE2-OG1 3.25Å
276P90.4Very high86.6Confident50 Ų5059.8 Ų59.833%0.32534%0.341SS..EExtended strand (participates in β ladder)trans-76.8137.1176.732.7-31.4000110.4Y176 S278 A280 V282Y176-P276 HydrophobicContact CD1-CB 4.14Å; Y176-P276 HydrophobicContact CE1-CB 4.17Å; P276-S278 VanDerWaalsContact C-N 3.3Å; P276-A280 WeakPolarHBondContact CB-O 3.39Å; P276-V282 HydrophobicContact CB-CG2 4.33Å; P276-V282 HydrophobicContact CG-CG2 4.11Å
277N86.4Confident86.1Confident77 Ų7759.7 Ų59.741%0.41234%0.342SS..SBendtrans-90.20.4176.5-65.6-22.9000112.6P174 S175 T177P174-N277 VanDerWaalsContact O-CB 3.31Å; P174-N277 WeakPolarHBondContact O-CB 3.29Å; P174-N277 PolarHBondContact O-ND2 2.88Å; S175-N277 PolarHBondContact O-N 2.93Å; T177-N277 VanDerWaalsContact OG1-CG 3.32Å; T177-N277 PolarHBondContact OG1-ND2 3.48Å; T177-N277 PolarHBondContact OG1-OD1 3.15Å
278S75.9Confident85.7Confident63 Ų6363.9 Ų63.944%0.44135%0.353SS..SBendtrans-138179.3177.366.20000109.7P276 A280P276-S278 VanDerWaalsContact C-N 3.3Å; S278-A280 PolarHBondContact O-N 3.06Å; S278-A280 WeakPolarHBondContact OG-CB 3.38Å; S278-A280 PolarHBondContact OG-N 2.57Å
279D70.6Confident85.5Confident157 Ų15764.9 Ų64.984%0.8436%0.359SS*.SBendtrans-66.54.6174.3-62-33000113.5
280A70.9Confident85.4Confident28 Ų2860 Ų6023%0.23134%0.336CS..PPolyproline II helixtrans-70.4134.5177.300000111.6P276 S278P276-A280 WeakPolarHBondContact CB-O 3.39Å; S278-A280 PolarHBondContact O-N 3.06Å; S278-A280 WeakPolarHBondContact OG-CB 3.38Å; S278-A280 PolarHBondContact OG-N 2.57Å
281P76.4Confident85.4Confident105 Ų10559.1 Ų59.168%0.68233%0.33SS*.PPolyproline II helixtrans-70.2142.1174.829.6-33.8000110.7Y176Y176-P281 PolarHBondContact OH-O 2.7Å
282V80.3Confident85.5Confident17 Ų1752.8 Ų52.810%0.10331%0.307CS..PPolyproline II helixtrans-58.9136.8169.7174.10000109.4Y176 L274 P276 A284 R288Y176-V282 HydrophobicContact CD1-CG2 4.48Å; Y176-V282 HydrophobicContact CE1-CG2 4.48Å; L274-V282 HydrophobicContact CB-CG1 3.68Å; L274-V282 HydrophobicContact CB-CG2 4.18Å; L274-V282 HydrophobicContact CD1-CG1 3.89Å; L274-V282 HydrophobicContact CG-CG1 4.45Å; P276-V282 HydrophobicContact CB-CG2 4.33Å; P276-V282 HydrophobicContact CG-CG2 4.11Å; V282-A284 PolarHBondContact O-N 2.96Å; V282-A284 VanDerWaalsContact O-N 3.08Å; V282-R288 PolarHBondContact O-NH2 2.86Å
283P81.6Confident85.6Confident18 Ų1855.7 Ų55.712%0.11732%0.318CS..PPolyproline II helixtrans-50.2119-180-28.935.2000112.1R285 L286 Y299P283-R285 PolarHBondContact O-N 3.12Å; P283-R285 VanDerWaalsContact O-N 3.14Å; P283-L286 HydrophobicContact CB-CD1 4.12Å; P283-L286 HydrophobicContact CB-CG 4.28Å; P283-L286 HydrophobicContact CG-CD1 4.25Å; P283-L286 PolarHBondContact O-N 3.32Å; P283-Y299 HydrophobicContact CB-CE2 4.08Å; P283-Y299 WeakPolarHBondContact CB-OH 3.26Å; P283-Y299 WeakPolarHBondContact CG-OH 3.34Å
284A75.6Confident85.7Confident100 Ų10055.5 Ų55.583%0.82631%0.313SS*.THydrogen-bonded Turntrans-63.7-21.2-175.800000113.2V282V282-A284 PolarHBondContact O-N 2.96Å; V282-A284 VanDerWaalsContact O-N 3.08Å
285R80.2Confident85.9Confident90 Ų9054.8 Ų54.834%0.3431%0.309SS..THydrogen-bonded Turntrans-84-15.1-176.8-69-174.2-75.2-94.4-1.4114.3E203 P283 E375E203-R285 IonicContact OE1-NH1 3.54Å; P283-R285 PolarHBondContact O-N 3.12Å; P283-R285 VanDerWaalsContact O-N 3.14Å; R285-E375 IonicContact CZ-OE1 2.81Å; R285-E375 IonicContact CZ-OE2 3.2Å; R285-E375 IonicContact NE-OE1 3.62Å; R285-E375 PolarHBondContact NE-OE1 3.47Å; R285-E375 IonicContact NE-OE2 3.64Å; R285-E375 IonicContact NH2-OE1 3.01Å; R285-E375 PolarHBondContact NH2-OE1 3.46Å; R285-E375 IonicContact NH2-OE2 3.88Å; R285-E375 PolarHBondContact NH2-OE2 2.91Å
286L86Confident86.2Confident5 Ų551.8 Ų51.83%0.02629%0.291CS..SBendtrans-82.7127177.3-71.6174.3000109.2L274 P283 L295 Y299 L370L274-L286 HydrophobicContact CD1-CD1 3.49Å; L274-L286 VanDerWaalsContact CD1-CD1 3.49Å; P283-L286 HydrophobicContact CB-CD1 4.12Å; P283-L286 HydrophobicContact CB-CG 4.28Å; P283-L286 HydrophobicContact CG-CD1 4.25Å; P283-L286 PolarHBondContact O-N 3.32Å; L286-L295 HydrophobicContact CD1-CD1 4.2Å; L286-L295 HydrophobicContact CD2-CD1 4.04Å; L286-Y299 HydrophobicContact CD1-CD2 4.46Å; L286-Y299 HydrophobicContact CD1-CE1 4.49Å; L286-Y299 HydrophobicContact CD1-CE2 4.41Å; L286-Y299 HydrophobicContact CD1-CG 4.5Å; L286-Y299 HydrophobicContact CD2-CD1 4.33Å; L286-Y299 HydrophobicContact CD2-CD2 3.62Å; L286-Y299 HydrophobicContact CD2-CE2 4.3Å; L286-Y299 HydrophobicContact CD2-CG 3.63Å; L286-Y299 HydrophobicContact CG-CD2 3.85Å; L286-Y299 HydrophobicContact CG-CE2 4.02Å; L286-Y299 HydrophobicContact CG-CG 4.2Å; L286-L370 HydrophobicContact CD1-CD2 4.44Å
287P86.4Confident86.5Confident27 Ų2751.2 Ų51.218%0.17528%0.284CS..  trans-61.7156.8175.826-32.4000110.3E190 P289 C290 H294E190-P287 WeakPolarHBondContact OE1-CB 3.49Å; P287-P289 CarbonylContact C-O 3.55Å; P287-P289 CarbonylContact O-C 3.39Å; P287-C290 HydrophobicContact CG-CB 4.19Å; P287-C290 VanDerWaalsContact O-CB 3.27Å; P287-C290 WeakPolarHBondContact O-CB 3.43Å; P287-C290 PolarHBondContact O-N 2.74Å; P287-H294 VanDerWaalsContact CD-NE2 3.33Å; P287-H294 WeakPolarHBondContact CD-NE2 3.23Å
288R86.7Confident86.9Confident159 Ų15952.3 Ų52.360%0.628%0.282SS*.SBendtrans-131.1105.1-178.9-60.5-173.1-165.9178.99.6108.9V282V282-R288 PolarHBondContact O-NH2 2.86Å
289P90.7Very high87.8Confident51 Ų5150.6 Ų50.633%0.33127%0.266SS..SBendcis-73.7154.91.831.5-35.7000114L181 R271 T273 P287L181-P289 HydrophobicContact CD1-CB 3.63Å; L181-P289 HydrophobicContact CD1-CG 4.2Å; R271-P289 HydrophobicContact CB-CB 4.44Å; T273-P289 HydrophobicContact CG2-CB 4.38Å; P287-P289 CarbonylContact C-O 3.55Å; P287-P289 CarbonylContact O-C 3.39Å
290C92.7Very high89Confident3 Ų343.1 Ų43.12%0.0223%0.226CC..EExtended strand (participates in β ladder)trans-105.2142.9175.7-167.30000110.4R271 F272 P287R271-C290 CarbonylContact C-O 3.55Å; R271-C290 VanDerWaalsContact CA-O 3.26Å; R271-C290 WeakPolarHBondContact CA-O 3.33Å; F272-C290 HydrophobicContact CD1-CB 4.49Å; F272-C290 VanDerWaalsContact CD1-O 3.28Å; F272-C290 WeakPolarHBondContact CD1-O 3.49Å; F272-C290 HydrophobicContact CD2-CB 4.49Å; F272-C290 HydrophobicContact CE1-CB 3.94Å; F272-C290 HydrophobicContact CE2-CB 3.95Å; F272-C290 HydrophobicContact CZ-CB 3.63Å; F272-C290 PolarHBondContact N-O 3.06Å; F272-C290 PolarHBondContact O-N 3Å; P287-C290 HydrophobicContact CG-CB 4.19Å; P287-C290 VanDerWaalsContact O-CB 3.27Å; P287-C290 WeakPolarHBondContact O-CB 3.43Å; P287-C290 PolarHBondContact O-N 2.74Å
291S95.9Very high90.2Very high22 Ų2243.2 Ų43.215%0.15422%0.223CC..EExtended strand (participates in β ladder)trans-89.7154167.865.30000111.5S270 R293 H294 L295S270-S291 WeakPolarHBondContact O-CA 3.37Å; S291-R293 VanDerWaalsContact C-N 3.25Å; S291-R293 PolarHBondContact O-N 2.98Å; S291-H294 PolarHBondContact O-N 3.04Å; S291-H294 VanDerWaalsContact O-N 3.14Å; S291-H294 WeakPolarHBondContact OG-CB 3.38Å; S291-H294 PolarHBondContact OG-N 2.79Å; S291-H294 VanDerWaalsContact OG-N 3.13Å; S291-L295 PolarHBondContact O-N 3.22Å
292V96.7Very high91.2Very high3 Ų338.3 Ų38.32%0.01819%0.191CC..Hα-helixtrans-56.7-42.9172.3174.60000110.5F180 L266 D267 S270 F272 H294 L295 V296F180-V292 HydrophobicContact CE1-CG2 3.74Å; F180-V292 HydrophobicContact CZ-CG2 4.23Å; L266-V292 HydrophobicContact CB-CG1 4.05Å; L266-V292 HydrophobicContact CD1-CG1 4.18Å; D267-V292 WeakPolarHBondContact O-CB 3.4Å; D267-V292 WeakPolarHBondContact O-CG2 3.13Å; S270-V292 PolarHBondContact O-N 2.71Å; F272-V292 HydrophobicContact CD1-CG2 4.39Å; F272-V292 HydrophobicContact CE1-CG2 4.48Å; V292-H294 VanDerWaalsContact C-N 3.35Å; V292-H294 PolarHBondContact O-N 3.04Å; V292-L295 WeakPolarHBondContact O-CB 3.25Å; V292-L295 PolarHBondContact O-N 2.73Å; V292-V296 HydrophobicContact CG1-CG2 4.23Å; V292-V296 WeakPolarHBondContact O-CG2 3.2Å; V292-V296 PolarHBondContact O-N 2.91Å
293R97.2Very high91.8Very high63 Ų6339 Ų3924%0.23820%0.199CC..Hα-helixtrans-53.5-50174-178.5-176.8-64.8-87.9-1.8111.7E254 V257 P268 E269 S291 L295 V296 E297E254-R293 IonicContact OE1-CZ 3.73Å; E254-R293 IonicContact OE1-NH1 2.79Å; E254-R293 PolarHBondContact OE1-NH1 2.82Å; E254-R293 IonicContact OE1-NH2 3.23Å; E254-R293 IonicContact OE2-NH1 2.8Å; E254-R293 PolarHBondContact OE2-NH1 2.9Å; V257-R293 HydrophobicContact CG1-CG 4.39Å; P268-R293 HydrophobicContact CB-CB 4.1Å; P268-R293 VanDerWaalsContact O-CB 3.25Å; P268-R293 WeakPolarHBondContact O-CB 3.22Å; P268-R293 PolarHBondContact O-N 2.97Å; E269-R293 IonicContact OE1-CZ 2.92Å; E269-R293 VanDerWaalsContact OE1-CZ 3.23Å; E269-R293 IonicContact OE1-NE 3.78Å; E269-R293 PolarHBondContact OE1-NE 3.35Å; E269-R293 IonicContact OE1-NH2 2.71Å; E269-R293 PolarHBondContact OE1-NH2 2.85Å; S291-R293 VanDerWaalsContact C-N 3.25Å; S291-R293 PolarHBondContact O-N 2.98Å; R293-L295 PolarHBondContact O-N 3.33Å; R293-V296 PolarHBondContact O-N 2.82Å; R293-E297 WeakPolarHBondContact O-CB 3.34Å; R293-E297 PolarHBondContact O-N 2.9Å
294H95.5Very high92.4Very high46 Ų4639 Ų3921%0.21320%0.2CC..Hα-helixtrans-63.6-43.2-179.1-175107.7000111.8P287 S291 V292 V296 R298P287-H294 VanDerWaalsContact CD-NE2 3.33Å; P287-H294 WeakPolarHBondContact CD-NE2 3.23Å; S291-H294 PolarHBondContact O-N 3.04Å; S291-H294 VanDerWaalsContact O-N 3.14Å; S291-H294 WeakPolarHBondContact OG-CB 3.38Å; S291-H294 PolarHBondContact OG-N 2.79Å; S291-H294 VanDerWaalsContact OG-N 3.13Å; V292-H294 VanDerWaalsContact C-N 3.35Å; V292-H294 PolarHBondContact O-N 3.04Å; H294-V296 PolarHBondContact O-N 2.83Å; H294-R298 WeakPolarHBondContact O-CB 3.46Å; H294-R298 PolarHBondContact O-N 2.81Å
295L96.6Very high93.3Very high4 Ų436.1 Ų36.12%0.02117%0.172CC..Iπ-helixtrans-55.5-50.7176.5175.167.6000110.8F272 L286 S291 V292 R293 Y299 L300 L369 L370F272-L295 HydrophobicContact CE1-CB 4.21Å; F272-L295 HydrophobicContact CE1-CD2 4.13Å; F272-L295 HydrophobicContact CZ-CB 4.05Å; F272-L295 HydrophobicContact CZ-CD1 4.43Å; F272-L295 HydrophobicContact CZ-CD2 3.81Å; F272-L295 HydrophobicContact CZ-CG 4.31Å; L286-L295 HydrophobicContact CD1-CD1 4.2Å; L286-L295 HydrophobicContact CD2-CD1 4.04Å; S291-L295 PolarHBondContact O-N 3.22Å; V292-L295 WeakPolarHBondContact O-CB 3.25Å; V292-L295 PolarHBondContact O-N 2.73Å; R293-L295 PolarHBondContact O-N 3.33Å; L295-Y299 HydrophobicContact CD1-CD1 4.06Å; L295-Y299 HydrophobicContact CD1-CG 4.41Å; L295-Y299 CarbonylContact O-C 3.59Å; L295-Y299 WeakPolarHBondContact O-CA 3.27Å; L295-Y299 VanDerWaalsContact O-CB 3.24Å; L295-Y299 WeakPolarHBondContact O-CB 3.3Å; L295-Y299 PolarHBondContact O-N 3.13Å; L295-Y299 VanDerWaalsContact O-N 3.08Å; L295-L300 HydrophobicContact CD1-CD1 4.29Å; L295-L300 HydrophobicContact CD1-CD2 4.27Å; L295-L300 HydrophobicContact CD1-CG 4.01Å; L295-L300 HydrophobicContact CD2-CD1 4.1Å; L295-L300 HydrophobicContact CG-CD1 3.82Å; L295-L300 HydrophobicContact CG-CG 3.97Å; L295-L300 PolarHBondContact O-N 3.33Å; L295-L369 HydrophobicContact CD2-CD1 4.43Å; L295-L370 HydrophobicContact CD1-CD2 3.99Å
296V97.6Very high94Very high0 Ų032.2 Ų32.20%016%0.158CC..Iπ-helixtrans-74.7-43-176.4-175.40000111.3N252 V257 F260 V292 R293 H294 L300 V302N252-V296 PolarHBondContact ND2-O 2.97Å; V257-V296 HydrophobicContact CB-CG1 4.35Å; V257-V296 HydrophobicContact CG1-CB 4.33Å; V257-V296 HydrophobicContact CG1-CG1 4.35Å; V257-V296 HydrophobicContact CG2-CB 4.45Å; V257-V296 HydrophobicContact CG2-CG1 4.05Å; F260-V296 HydrophobicContact CB-CG1 4Å; F260-V296 HydrophobicContact CD1-CB 4.27Å; F260-V296 HydrophobicContact CD1-CG1 3.78Å; F260-V296 HydrophobicContact CD1-CG2 3.4Å; F260-V296 HydrophobicContact CE1-CG1 4.44Å; F260-V296 HydrophobicContact CE1-CG2 3.5Å; F260-V296 VanDerWaalsContact CE1-CG2 3.5Å; F260-V296 HydrophobicContact CG-CG1 3.87Å; F260-V296 HydrophobicContact CG-CG2 4.31Å; F260-V296 HydrophobicContact CZ-CG2 4.48Å; V292-V296 HydrophobicContact CG1-CG2 4.23Å; V292-V296 WeakPolarHBondContact O-CG2 3.2Å; V292-V296 PolarHBondContact O-N 2.91Å; R293-V296 PolarHBondContact O-N 2.82Å; H294-V296 PolarHBondContact O-N 2.83Å; V296-L300 HydrophobicContact CG2-CD1 4.46Å; V296-V302 HydrophobicContact CG1-CG1 4.09Å
297E96.9Very high94.2Very high38 Ų3835.7 Ų35.718%0.17817%0.171CC..Iπ-helixtrans-66.3-41.5-176.8-176.3-169.9-135.200112.2Q251 N252 V257 R293Q251-E297 CarbonylContact C-O 3.52Å; Q251-E297 VanDerWaalsContact CA-O 3.26Å; Q251-E297 WeakPolarHBondContact CA-O 3.32Å; Q251-E297 HydrophobicContact CB-CG 4.12Å; N252-E297 PolarHBondContact N-O 3.15Å; V257-E297 HydrophobicContact CG2-CB 3.98Å; R293-E297 WeakPolarHBondContact O-CB 3.34Å; R293-E297 PolarHBondContact O-N 2.9Å
298R94.7Very high94.4Very high100 Ų10035.9 Ų35.938%0.37717%0.168SC..Iπ-helixtrans-118.9-13.9-164.2-52.6-166.2177-152.8-5.2115.3R249 Q251 H294R249-R298 PolarHBondContact NE-O 3.25Å; R249-R298 PolarHBondContact NH2-O 3.32Å; Q251-R298 HydrophobicContact CG-CG 4.18Å; H294-R298 WeakPolarHBondContact O-CB 3.46Å; H294-R298 PolarHBondContact O-N 2.81Å
299Y94.3Very high94.6Very high26 Ų2628.7 Ų28.710%0.10214%0.143CC..Iπ-helixtrans-117.9-49.3-174.4-164.8-88.3000113.1P283 L286 L295 L370 E375 I376P283-Y299 HydrophobicContact CB-CE2 4.08Å; P283-Y299 WeakPolarHBondContact CB-OH 3.26Å; P283-Y299 WeakPolarHBondContact CG-OH 3.34Å; L286-Y299 HydrophobicContact CD1-CD2 4.46Å; L286-Y299 HydrophobicContact CD1-CE1 4.49Å; L286-Y299 HydrophobicContact CD1-CE2 4.41Å; L286-Y299 HydrophobicContact CD1-CG 4.5Å; L286-Y299 HydrophobicContact CD2-CD1 4.33Å; L286-Y299 HydrophobicContact CD2-CD2 3.62Å; L286-Y299 HydrophobicContact CD2-CE2 4.3Å; L286-Y299 HydrophobicContact CD2-CG 3.63Å; L286-Y299 HydrophobicContact CG-CD2 3.85Å; L286-Y299 HydrophobicContact CG-CE2 4.02Å; L286-Y299 HydrophobicContact CG-CG 4.2Å; L295-Y299 HydrophobicContact CD1-CD1 4.06Å; L295-Y299 HydrophobicContact CD1-CG 4.41Å; L295-Y299 CarbonylContact O-C 3.59Å; L295-Y299 WeakPolarHBondContact O-CA 3.27Å; L295-Y299 VanDerWaalsContact O-CB 3.24Å; L295-Y299 WeakPolarHBondContact O-CB 3.3Å; L295-Y299 PolarHBondContact O-N 3.13Å; L295-Y299 VanDerWaalsContact O-N 3.08Å; Y299-L370 HydrophobicContact CD1-CD2 3.91Å; Y299-L370 HydrophobicContact CE1-CD2 3.53Å; Y299-E375 HydrophobicContact CD1-CG 4.38Å; Y299-E375 HydrophobicContact CD2-CG 4.17Å; Y299-E375 HydrophobicContact CE1-CB 4.21Å; Y299-E375 HydrophobicContact CE1-CG 4.17Å; Y299-E375 HydrophobicContact CE2-CG 3.98Å; Y299-E375 HydrophobicContact CG-CG 4.37Å; Y299-E375 CarbonylContact O-C 3.57Å; Y299-E375 WeakPolarHBondContact O-CA 2.82Å; Y299-E375 WeakPolarHBondContact O-CG 3.12Å; Y299-I376 PolarHBondContact O-N 3.48Å
300L96.5Very high94.8Very high0 Ų026.5 Ų26.50%013%0.128CC..BIsolated β-bridgetrans-85.6126.5-175.8-61.5-179000112.8N252 F260 L295 V296 V302 L369 L370 I373 I376N252-L300 PolarHBondContact ND2-O 2.74Å; F260-L300 HydrophobicContact CZ-CD1 4.34Å; L295-L300 HydrophobicContact CD1-CD1 4.29Å; L295-L300 HydrophobicContact CD1-CD2 4.27Å; L295-L300 HydrophobicContact CD1-CG 4.01Å; L295-L300 HydrophobicContact CD2-CD1 4.1Å; L295-L300 HydrophobicContact CG-CD1 3.82Å; L295-L300 HydrophobicContact CG-CG 3.97Å; L295-L300 PolarHBondContact O-N 3.33Å; V296-L300 HydrophobicContact CG2-CD1 4.46Å; L300-V302 VanDerWaalsContact C-N 3.34Å; L300-V302 HydrophobicContact CB-CG1 4.24Å; L300-V302 PolarHBondContact O-N 3.3Å; L300-L369 HydrophobicContact CD1-CB 4.35Å; L300-L370 HydrophobicContact CD2-CD2 4.12Å; L300-I373 HydrophobicContact CB-CB 4.48Å; L300-I373 HydrophobicContact CB-CG2 3.83Å; L300-I373 HydrophobicContact CD1-CD1 4.41Å; L300-I373 HydrophobicContact CD2-CB 4.15Å; L300-I373 HydrophobicContact CD2-CG2 4.31Å; L300-I376 WeakPolarHBondContact O-CG1 3.33Å
301D96.3Very high95Very high31 Ų3126.3 Ų26.317%0.16613%0.127CC..  trans-84.176.1175.4-164.9-9.8000111A303 A304 P374 I376D301-A303 PolarHBondContact O-N 3.13Å; D301-A303 PolarHBondContact OD1-N 3.33Å; D301-A304 HydrophobicContact CB-CB 4.01Å; D301-A304 WeakPolarHBondContact O-CB 3.39Å; D301-A304 PolarHBondContact O-N 2.98Å; D301-A304 VanDerWaalsContact O-N 3.1Å; D301-A304 PolarHBondContact OD1-N 3.45Å; D301-P374 HydrophobicContact CB-CG 4.4Å; D301-P374 PolarHBondContact N-O 3.26Å; D301-I376 HydrophobicContact CB-CG1 3.89Å
302V96.4Very high94.8Very high1 Ų127.5 Ų27.51%0.00613%0.13CC..THydrogen-bonded Turntrans-68.2-15.3178.7-54.90000112.9N252 D256 F260 V296 L300 A350 L351 I373N252-V302 HydrophobicContact CB-CG2 4.44Å; D256-V302 HydrophobicContact CB-CG2 4.3Å; F260-V302 HydrophobicContact CD2-CB 4.47Å; F260-V302 HydrophobicContact CD2-CG1 3.7Å; F260-V302 HydrophobicContact CE2-CG1 4Å; F260-V302 HydrophobicContact CG-CG1 4.3Å; V296-V302 HydrophobicContact CG1-CG1 4.09Å; L300-V302 VanDerWaalsContact C-N 3.34Å; L300-V302 HydrophobicContact CB-CG1 4.24Å; L300-V302 PolarHBondContact O-N 3.3Å; V302-A350 PolarHBondContact O-N 3.01Å; V302-L351 HydrophobicContact CB-CB 4.31Å; V302-L351 PolarHBondContact O-N 3.41Å; V302-I373 HydrophobicContact CG1-CG2 4.48Å
303A94.2Very high94.6Very high32 Ų3229.2 Ų29.226%0.26414%0.139SC..THydrogen-bonded Turntrans-89.7-6.817500000113D301 T349D301-A303 PolarHBondContact O-N 3.13Å; D301-A303 PolarHBondContact OD1-N 3.33Å; A303-T349 WeakPolarHBondContact O-CG2 3.46Å
304A94Very high94.5Very high18 Ų1826.2 Ų26.215%0.14913%0.127CC..SBendtrans-60.4146.3175.800000110.9D301 P306 T349 A350 P374D301-A304 HydrophobicContact CB-CB 4.01Å; D301-A304 WeakPolarHBondContact O-CB 3.39Å; D301-A304 PolarHBondContact O-N 2.98Å; D301-A304 VanDerWaalsContact O-N 3.1Å; D301-A304 PolarHBondContact OD1-N 3.45Å; A304-P306 VanDerWaalsContact O-CD 3.26Å; A304-P306 WeakPolarHBondContact O-CD 3.39Å; A304-T349 CarbonylContact O-C 3.59Å; A304-T349 WeakPolarHBondContact O-CA 3.45Å; A304-A350 PolarHBondContact O-N 3.38Å; A304-P374 HydrophobicContact CB-CG 3.95Å
305V93.8Very high94.4Very high39 Ų3924.1 Ų24.124%0.23612%0.118CC..PPolyproline II helixtrans-75.4116.7167.5-1800000107.3R307 R347V305-R307 PolarHBondContact O-N 3.27Å; V305-R347 HydrophobicContact CG2-CB 4.05Å
306P94.1Very high94.2Very high8 Ų824.8 Ų24.85%0.05212%0.124CC..PPolyproline II helixtrans-59.5136.2-177.2-29.238.9000112.7A304 F310 F311 R348 A350 V353A304-P306 VanDerWaalsContact O-CD 3.26Å; A304-P306 WeakPolarHBondContact O-CD 3.39Å; P306-F310 HydrophobicContact CB-CB 3.75Å; P306-F310 HydrophobicContact CB-CD1 3.66Å; P306-F310 HydrophobicContact CB-CD2 4.15Å; P306-F310 HydrophobicContact CB-CE1 4.25Å; P306-F310 HydrophobicContact CB-CG 3.61Å; P306-F310 HydrophobicContact CG-CD1 4.14Å; P306-F310 HydrophobicContact CG-CD2 4.48Å; P306-F310 HydrophobicContact CG-CE1 4.23Å; P306-F310 HydrophobicContact CG-CG 4.28Å; P306-F310 HydrophobicContact CG-CZ 4.47Å; P306-F311 HydrophobicContact CB-CE2 3.78Å; P306-F311 HydrophobicContact CB-CZ 4.08Å; P306-R348 VanDerWaalsContact CD-O 3.25Å; P306-R348 WeakPolarHBondContact CD-O 3.49Å; P306-A350 VanDerWaalsContact CG-CA 3.43Å; P306-A350 HydrophobicContact CG-CB 3.87Å; P306-V353 HydrophobicContact CG-CB 4.46Å; P306-V353 HydrophobicContact CG-CG2 3.95Å
307R90.7Very high93.9Very high78 Ų7826 Ų2629%0.29413%0.132SC..PPolyproline II helixtrans-82.3167.2170.6-63.5-179.1-174.2139.12.6110T14 G15 T16 D19 V305 S309 F310 F311T14-R307 PolarHBondContact O-NH2 3.47Å; G15-R307 PolarHBondContact O-NH1 2.98Å; T16-R307 VanDerWaalsContact CA-CZ 3.42Å; T16-R307 VanDerWaalsContact N-NH2 3.13Å; T16-R307 PolarHBondContact OG1-NH2 3.47Å; T16-R307 VanDerWaalsContact OG1-NH2 3.16Å; D19-R307 VanDerWaalsContact OD2-CD 3.22Å; D19-R307 WeakPolarHBondContact OD2-CD 3.49Å; V305-R307 PolarHBondContact O-N 3.27Å; R307-S309 PolarHBondContact O-N 2.9Å; R307-S309 VanDerWaalsContact O-N 3.14Å; R307-F310 WeakPolarHBondContact O-CB 3.31Å; R307-F310 PolarHBondContact O-N 3.07Å; R307-F311 WeakPolarHBondContact O-CD2 3.31Å
308R90.6Very high93.7Very high31 Ų3124.6 Ų24.612%0.11713%0.127CC..Hα-helixtrans-51.4-39178-177.1175.5172.9-175.2-0.7113.2D143 F310 F311 E312 C331 L339D143-R308 VanDerWaalsContact CG-NH1 3.32Å; D143-R308 IonicContact OD1-CZ 3.49Å; D143-R308 IonicContact OD1-NH1 3.68Å; D143-R308 PolarHBondContact OD1-NH1 3.02Å; D143-R308 VanDerWaalsContact OD1-NH1 3.12Å; D143-R308 IonicContact OD1-NH2 2.66Å; D143-R308 IonicContact OD2-CZ 2.67Å; D143-R308 IonicContact OD2-NH1 3.82Å; D143-R308 PolarHBondContact OD2-NH1 3Å; D143-R308 IonicContact OD2-NH2 3.71Å; R308-F310 PolarHBondContact O-N 3.19Å; R308-F311 WeakPolarHBondContact O-CB 3.48Å; R308-F311 PolarHBondContact O-N 3.08Å; R308-E312 HydrophobicContact CG-CG 4.34Å; R308-E312 IonicContact NE-OE1 3.12Å; R308-E312 PolarHBondContact O-N 3.24Å; R308-C331 PolarHBondContact NE-O 3.28Å; R308-C331 PolarHBondContact NH2-O 3.49Å; R308-L339 HydrophobicContact CB-CD2 4.44Å
309S92Very high93.4Very high9 Ų924 Ų246%0.06313%0.134CC..Hα-helixtrans-55.2-34.4176540000114D19 R307 F311 E312 L313D19-S309 WeakPolarHBondContact OD1-CB 3.33Å; D19-S309 PolarHBondContact OD1-OG 2.85Å; D19-S309 PolarHBondContact OD2-OG 2.86Å; R307-S309 PolarHBondContact O-N 2.9Å; R307-S309 VanDerWaalsContact O-N 3.14Å; S309-F311 VanDerWaalsContact C-N 3.35Å; S309-E312 PolarHBondContact O-N 3.38Å; S309-L313 WeakPolarHBondContact O-CB 3.33Å; S309-L313 VanDerWaalsContact O-CG 3.26Å; S309-L313 WeakPolarHBondContact O-CG 3.47Å; S309-L313 PolarHBondContact O-N 3.43Å
310F95.2Very high93.4Very high4 Ų424 Ų242%0.01814%0.138CC..Hα-helixtrans-61.9-45.4175.9-179.5-84.1000110.9P306 R307 R308 L313 L314 A350 V353 L354 L372 I373P306-F310 HydrophobicContact CB-CB 3.75Å; P306-F310 HydrophobicContact CB-CD1 3.66Å; P306-F310 HydrophobicContact CB-CD2 4.15Å; P306-F310 HydrophobicContact CB-CE1 4.25Å; P306-F310 HydrophobicContact CB-CG 3.61Å; P306-F310 HydrophobicContact CG-CD1 4.14Å; P306-F310 HydrophobicContact CG-CD2 4.48Å; P306-F310 HydrophobicContact CG-CE1 4.23Å; P306-F310 HydrophobicContact CG-CG 4.28Å; P306-F310 HydrophobicContact CG-CZ 4.47Å; R307-F310 WeakPolarHBondContact O-CB 3.31Å; R307-F310 PolarHBondContact O-N 3.07Å; R308-F310 PolarHBondContact O-N 3.19Å; F310-L313 PolarHBondContact O-N 2.94Å; F310-L314 HydrophobicContact CD1-CD1 3.83Å; F310-L314 HydrophobicContact CD1-CG 4.27Å; F310-L314 HydrophobicContact CE1-CD1 3.26Å; F310-L314 HydrophobicContact CE1-CG 4.01Å; F310-L314 HydrophobicContact CZ-CD1 3.94Å; F310-L314 HydrophobicContact CZ-CG 4.5Å; F310-L314 WeakPolarHBondContact O-CG 3.44Å; F310-L314 PolarHBondContact O-N 3.06Å; F310-A350 HydrophobicContact CE2-CB 3.95Å; F310-A350 HydrophobicContact CZ-CB 4.2Å; F310-V353 HydrophobicContact CD1-CG1 4.37Å; F310-V353 HydrophobicContact CE1-CB 4.04Å; F310-V353 HydrophobicContact CE1-CG1 3.65Å; F310-L354 HydrophobicContact CZ-CD2 3.96Å; F310-L354 HydrophobicContact CZ-CG 4.1Å; F310-L372 HydrophobicContact CB-CD1 4.35Å; F310-L372 HydrophobicContact CD1-CD1 4.38Å; F310-L372 HydrophobicContact CD2-CD1 3.51Å; F310-L372 HydrophobicContact CD2-CD2 4.41Å; F310-L372 HydrophobicContact CD2-CG 3.61Å; F310-L372 WeakPolarHBondContact CD2-O 3.37Å; F310-L372 HydrophobicContact CE2-CD1 3.81Å; F310-L372 HydrophobicContact CE2-CD2 3.87Å; F310-L372 HydrophobicContact CE2-CG 3.53Å; F310-L372 HydrophobicContact CG-CD1 3.8Å; F310-L372 HydrophobicContact CG-CG 4.4Å; F310-L372 HydrophobicContact CZ-CD1 4.36Å; F310-L372 HydrophobicContact CZ-CD2 4.21Å; F310-L372 HydrophobicContact CZ-CG 4.28Å; F310-L372 WeakPolarHBondContact O-CD1 3.32Å; F310-I373 HydrophobicContact CE2-CG1 4.18Å
311F95.3Very high93.3Very high0 Ų028.6 Ų28.60%016%0.163CC..Hα-helixtrans-68.5-37.9177.2-59.5-85.3000111.5P306 R307 R308 S309 L313 L314 A315 L327 F330 C331 L339 Y342 C343 V353P306-F311 HydrophobicContact CB-CE2 3.78Å; P306-F311 HydrophobicContact CB-CZ 4.08Å; R307-F311 WeakPolarHBondContact O-CD2 3.31Å; R308-F311 WeakPolarHBondContact O-CB 3.48Å; R308-F311 PolarHBondContact O-N 3.08Å; S309-F311 VanDerWaalsContact C-N 3.35Å; F311-L313 VanDerWaalsContact C-N 3.32Å; F311-L313 PolarHBondContact O-N 2.8Å; F311-L314 PolarHBondContact O-N 3.24Å; F311-A315 WeakPolarHBondContact O-CB 3.36Å; F311-A315 PolarHBondContact O-N 3.19Å; F311-L327 HydrophobicContact CB-CD2 4.49Å; F311-L327 HydrophobicContact CD1-CD2 3.85Å; F311-F330 HydrophobicContact CD1-CB 4.48Å; F311-F330 AromaticContact CD1-CD2 3.72Å; F311-F330 HydrophobicContact CD1-CD2 3.72Å; F311-F330 HydrophobicContact CD1-CE2 4.43Å; F311-F330 AromaticContact CE1-CD2 3.93Å; F311-F330 HydrophobicContact CE1-CD2 3.93Å; F311-F330 HydrophobicContact CE1-CE2 4.27Å; F311-F330 HydrophobicContact CG-CB 4.45Å; F311-F330 HydrophobicContact CG-CD2 4.48Å; F311-C331 VanDerWaalsContact CB-SG 3.59Å; F311-L339 HydrophobicContact CD2-CD1 3.83Å; F311-L339 HydrophobicContact CE1-CD1 4.18Å; F311-L339 HydrophobicContact CE2-CD1 3.38Å; F311-L339 HydrophobicContact CG-CD1 4.4Å; F311-L339 HydrophobicContact CZ-CD1 3.58Å; F311-Y342 HydrophobicContact CE1-CD1 4.32Å; F311-Y342 AromaticContact CE1-CE1 3.93Å; F311-Y342 HydrophobicContact CE1-CE1 3.93Å; F311-Y342 HydrophobicContact CZ-CD1 4.45Å; F311-Y342 HydrophobicContact CZ-CE1 4.28Å; F311-C343 HydrophobicContact CE2-CB 4.42Å; F311-C343 HydrophobicContact CZ-CB 3.98Å; F311-V353 HydrophobicContact CD1-CG1 4.42Å; F311-V353 HydrophobicContact CE1-CG1 3.72Å; F311-V353 HydrophobicContact CE1-CG2 4.3Å; F311-V353 HydrophobicContact CZ-CG1 4.33Å; F311-V353 HydrophobicContact CZ-CG2 4.19Å
312E92.5Very high93.3Very high46 Ų4634 Ų3422%0.21519%0.191CC..Hα-helixtrans-59.6-44.3174.9-69.1174.7172.700110.7R23 R26 R308 S309 A316 C331R23-E312 IonicContact CZ-OE1 3.54Å; R23-E312 IonicContact NE-OE1 3.65Å; R23-E312 PolarHBondContact NE-OE1 2.82Å; R23-E312 IonicContact NE-OE2 2.7Å; R23-E312 IonicContact NH2-OE1 2.7Å; R26-E312 IonicContact NH2-OE2 3.97Å; R26-E312 PolarHBondContact NH2-OE2 2.9Å; R308-E312 HydrophobicContact CG-CG 4.34Å; R308-E312 IonicContact NE-OE1 3.12Å; R308-E312 PolarHBondContact O-N 3.24Å; S309-E312 PolarHBondContact O-N 3.38Å; E312-A316 PolarHBondContact O-N 2.8Å; E312-C331 VanDerWaalsContact CA-SG 3.55Å; E312-C331 HydrophobicContact CG-CB 3.95Å; E312-C331 WeakPolarHBondContact CG-SG 3.34Å; E312-C331 PolarHBondContact N-SG 2.72Å
313L93Very high93.2Very high39 Ų3934.8 Ų34.820%0.20419%0.194CC..Hα-helixtrans-71.3-39.3-179.8-70.5173.3000112.6S309 F310 F311 A316 D371 L372S309-L313 WeakPolarHBondContact O-CB 3.33Å; S309-L313 VanDerWaalsContact O-CG 3.26Å; S309-L313 WeakPolarHBondContact O-CG 3.47Å; S309-L313 PolarHBondContact O-N 3.43Å; F310-L313 PolarHBondContact O-N 2.94Å; F311-L313 VanDerWaalsContact C-N 3.32Å; F311-L313 PolarHBondContact O-N 2.8Å; L313-A316 PolarHBondContact O-N 3.42Å; L313-D371 HydrophobicContact CD1-CB 4.49Å; L313-D371 WeakPolarHBondContact CD1-O 3.39Å; L313-L372 HydrophobicContact CB-CD1 3.79Å; L313-L372 HydrophobicContact CD1-CD1 4.34Å
314L94.4Very high93.3Very high0 Ų036.3 Ų36.30%019%0.193CC..Hα-helixtrans-64.5-41.2173.5-76.6-174.4000112F310 F311 A316 V317 A318 L327 V353 L354 T360 L364 L372F310-L314 HydrophobicContact CD1-CD1 3.83Å; F310-L314 HydrophobicContact CD1-CG 4.27Å; F310-L314 HydrophobicContact CE1-CD1 3.26Å; F310-L314 HydrophobicContact CE1-CG 4.01Å; F310-L314 HydrophobicContact CZ-CD1 3.94Å; F310-L314 HydrophobicContact CZ-CG 4.5Å; F310-L314 WeakPolarHBondContact O-CG 3.44Å; F310-L314 PolarHBondContact O-N 3.06Å; F311-L314 PolarHBondContact O-N 3.24Å; L314-A316 PolarHBondContact O-N 3.33Å; L314-V317 VanDerWaalsContact O-CG2 3.3Å; L314-V317 WeakPolarHBondContact O-CG2 3.41Å; L314-V317 PolarHBondContact O-N 3.1Å; L314-V317 VanDerWaalsContact O-N 3.12Å; L314-A318 PolarHBondContact O-N 3.01Å; L314-A318 VanDerWaalsContact O-N 3.15Å; L314-L327 HydrophobicContact CB-CD1 3.87Å; L314-L327 HydrophobicContact CB-CD2 4.17Å; L314-L327 HydrophobicContact CD1-CD2 4.35Å; L314-V353 HydrophobicContact CD1-CG1 4.35Å; L314-L354 HydrophobicContact CD1-CD2 4.37Å; L314-L354 HydrophobicContact CD2-CD2 4.22Å; L314-T360 HydrophobicContact CB-CG2 4.25Å; L314-T360 HydrophobicContact CD2-CG2 4.22Å; L314-T360 WeakPolarHBondContact O-CG2 3.47Å; L314-L364 HydrophobicContact CD2-CD1 4.46Å; L314-L364 HydrophobicContact CD2-CD2 4.39Å; L314-L372 HydrophobicContact CD2-CD1 4.24Å; L314-L372 HydrophobicContact CD2-CD2 3.8Å; L314-L372 HydrophobicContact CG-CD1 4.06Å; L314-L372 HydrophobicContact CG-CD2 4.41Å
315A93.9Very high93.3Very high3 Ų340.1 Ų40.13%0.02521%0.211CC..Hα-helixtrans-58.2-36.9179.600000112.2F311 V317 A318 L327 L328F311-A315 WeakPolarHBondContact O-CB 3.36Å; F311-A315 PolarHBondContact O-N 3.19Å; A315-V317 PolarHBondContact O-N 3.08Å; A315-A318 PolarHBondContact O-N 3.19Å; A315-L327 HydrophobicContact CB-CB 3.73Å; A315-L328 HydrophobicContact CB-CD2 3.77Å; A315-L328 HydrophobicContact CB-CG 4.05Å
316A91.1Very high93.4Very high17 Ų1741.8 Ų41.814%0.1422%0.215CC..THydrogen-bonded Turntrans-70.2-15.7-178.700000114.3P171 E312 L313 L314P171-A316 HydrophobicContact CB-CB 4.39Å; E312-A316 PolarHBondContact O-N 2.8Å; L313-A316 PolarHBondContact O-N 3.42Å; L314-A316 PolarHBondContact O-N 3.33Å
317V91.3Very high93.5Very high26 Ų2641.4 Ų41.416%0.15821%0.213CC..THydrogen-bonded Turntrans-112.81.1176.9-58.80000112.7P171 L314 A315 T319 T360 L364P171-V317 HydrophobicContact CB-CG1 4.44Å; L314-V317 VanDerWaalsContact O-CG2 3.3Å; L314-V317 WeakPolarHBondContact O-CG2 3.41Å; L314-V317 PolarHBondContact O-N 3.1Å; L314-V317 VanDerWaalsContact O-N 3.12Å; A315-V317 PolarHBondContact O-N 3.08Å; V317-T319 PolarHBondContact O-N 2.91Å; V317-T360 HydrophobicContact CG2-CG2 4.06Å; V317-L364 HydrophobicContact CG2-CD1 4.22Å
318A92.9Very high93.6Very high9 Ų941.1 Ų41.17%0.07422%0.217CC..  trans-71.9118.9-178.100000111.7L314 A315 R324 L327 T360L314-A318 PolarHBondContact O-N 3.01Å; L314-A318 VanDerWaalsContact O-N 3.15Å; A315-A318 PolarHBondContact O-N 3.19Å; A318-R324 HydrophobicContact CB-CB 3.65Å; A318-R324 HydrophobicContact CB-CG 4.08Å; A318-L327 HydrophobicContact CB-CD1 4.17Å; A318-T360 HydrophobicContact CB-CG2 3.85Å; A318-T360 WeakPolarHBondContact CB-OG1 3.36Å
319T89Confident93.8Very high86 Ų8642.6 Ų42.653%0.52823%0.225SC..  trans-86.2-28.8177.854.10000112.7V317 E363V317-T319 PolarHBondContact O-N 2.91Å; T319-E363 HydrophobicContact CG2-CB 4.37Å; T319-E363 HydrophobicContact CG2-CG 3.83Å
320S94.4Very high93.9Very high27 Ų2742.3 Ų42.319%0.18922%0.223CC..SBendtrans-84121.8175.9173.60000111.1L322 E323 R324S320-L322 VanDerWaalsContact C-N 3.27Å; S320-L322 PolarHBondContact O-N 3.49Å; S320-E323 PolarHBondContact O-N 2.78Å; S320-E323 VanDerWaalsContact O-N 3.15Å; S320-R324 WeakPolarHBondContact O-CB 3.04Å; S320-R324 PolarHBondContact O-N 3.07Å
321D93.9Very high93.6Very high97 Ų9743 Ų4352%0.51923%0.227SC..Hα-helixtrans-53.8-42.8177.3-64.7-14.6000112.3E323 R324 D325D321-E323 PolarHBondContact O-N 2.77Å; D321-R324 PolarHBondContact O-N 3.12Å; D321-R324 IonicContact OD1-CZ 3.22Å; D321-R324 IonicContact OD1-NH1 2.82Å; D321-R324 PolarHBondContact OD1-NH1 2.94Å; D321-R324 IonicContact OD1-NH2 2.72Å; D321-R324 PolarHBondContact OD1-NH2 3.37Å; D321-D325 VanDerWaalsContact O-CB 3.32Å; D321-D325 WeakPolarHBondContact O-CB 3.28Å; D321-D325 PolarHBondContact O-N 2.93Å
322L95.8Very high93.3Very high145 Ų14544.7 Ų44.776%0.75924%0.24SC*.Hα-helixtrans-58.9-48.6178.1-173.391.3000113S320 K326S320-L322 VanDerWaalsContact C-N 3.27Å; S320-L322 PolarHBondContact O-N 3.49Å; L322-K326 WeakPolarHBondContact O-CB 3.4Å; L322-K326 PolarHBondContact O-N 3.37Å
323E96.3Very high92.8Very high17 Ų1747.4 Ų47.48%0.07926%0.261CS..Hα-helixtrans-70.1-42-179.7-71.3-169.1-17700110.3S320 D321 K326 L327 F357 P358 L359 T360S320-E323 PolarHBondContact O-N 2.78Å; S320-E323 VanDerWaalsContact O-N 3.15Å; D321-E323 PolarHBondContact O-N 2.77Å; E323-K326 PolarHBondContact O-N 3.42Å; E323-L327 WeakPolarHBondContact O-CB 3.4Å; E323-L327 WeakPolarHBondContact O-CD1 3.48Å; E323-L327 WeakPolarHBondContact O-CG 3.47Å; E323-L327 PolarHBondContact O-N 3.5Å; E323-F357 HydrophobicContact CB-CD1 3.9Å; E323-F357 HydrophobicContact CB-CE1 4.44Å; E323-F357 HydrophobicContact CG-CD1 3.9Å; E323-P358 WeakPolarHBondContact OE1-CD 3.46Å; E323-L359 WeakPolarHBondContact OE1-CB 3.47Å; E323-L359 PolarHBondContact OE1-N 3.16Å; E323-L359 VanDerWaalsContact OE1-N 3.12Å; E323-L359 PolarHBondContact OE2-N 3.33Å; E323-T360 WeakPolarHBondContact OE2-CB 3.45Å; E323-T360 PolarHBondContact OE2-N 2.91Å; E323-T360 PolarHBondContact OE2-OG1 2.79Å
324R94.9Very high92.5Very high64 Ų6449.6 Ų49.624%0.24229%0.285CS..Hα-helixtrans-58.7-51.2176.6-171.5172.966.5-119.8-3.5111.5A318 S320 D321 K326 L327 L328A318-R324 HydrophobicContact CB-CB 3.65Å; A318-R324 HydrophobicContact CB-CG 4.08Å; S320-R324 WeakPolarHBondContact O-CB 3.04Å; S320-R324 PolarHBondContact O-N 3.07Å; D321-R324 PolarHBondContact O-N 3.12Å; D321-R324 IonicContact OD1-CZ 3.22Å; D321-R324 IonicContact OD1-NH1 2.82Å; D321-R324 PolarHBondContact OD1-NH1 2.94Å; D321-R324 IonicContact OD1-NH2 2.72Å; D321-R324 PolarHBondContact OD1-NH2 3.37Å; R324-K326 PolarHBondContact O-N 2.77Å; R324-L327 PolarHBondContact O-N 2.75Å; R324-L328 HydrophobicContact CG-CD1 3.97Å; R324-L328 HydrophobicContact CG-CG 4.33Å; R324-L328 WeakPolarHBondContact O-CB 3.34Å; R324-L328 VanDerWaalsContact O-CG 3.29Å; R324-L328 WeakPolarHBondContact O-CG 3.49Å; R324-L328 PolarHBondContact O-N 3.06Å
325D94.6Very high92.2Very high97 Ų9749.6 Ų49.652%0.51929%0.285SS..Hα-helixtrans-60.1-38.6179.6-72.2-9.6000111D321 L328 E329D321-D325 VanDerWaalsContact O-CB 3.32Å; D321-D325 WeakPolarHBondContact O-CB 3.28Å; D321-D325 PolarHBondContact O-N 2.93Å; D325-L328 PolarHBondContact O-N 3.48Å; D325-E329 WeakPolarHBondContact O-CB 3.44Å; D325-E329 PolarHBondContact O-N 2.72Å
326K95.9Very high91.8Very high75 Ų7550.7 Ų50.733%0.32629%0.288SS..Hα-helixtrans-68.9-41.7177.5-171.458.3179.2176.30112.8L322 E323 R324 E329 F330 F357L322-K326 WeakPolarHBondContact O-CB 3.4Å; L322-K326 PolarHBondContact O-N 3.37Å; E323-K326 PolarHBondContact O-N 3.42Å; R324-K326 PolarHBondContact O-N 2.77Å; K326-E329 VanDerWaalsContact CD-OE2 3.29Å; K326-E329 WeakPolarHBondContact CD-OE2 3.42Å; K326-E329 IonicContact NZ-OE1 2.76Å; K326-E329 IonicContact NZ-OE2 3.34Å; K326-E329 PolarHBondContact NZ-OE2 3.11Å; K326-E329 WeakPolarHBondContact O-CB 3.26Å; K326-E329 PolarHBondContact O-N 3.17Å; K326-F330 HydrophobicContact CD-CE1 4.43Å; K326-F330 HydrophobicContact CD-CZ 4.24Å; K326-F330 VanDerWaalsContact CE-CZ 3.48Å; K326-F330 HydrophobicContact CG-CE2 4.15Å; K326-F330 HydrophobicContact CG-CZ 4.18Å; K326-F330 WeakPolarHBondContact O-CD2 3.45Å; K326-F330 WeakPolarHBondContact O-CG 3.34Å; K326-F330 PolarHBondContact O-N 3.4Å; K326-F330 VanDerWaalsContact O-N 3.15Å; K326-F357 HydrophobicContact CB-CE1 4.21Å; K326-F357 HydrophobicContact CG-CE1 4.19Å; K326-F357 HydrophobicContact CG-CZ 4.15Å
327L95.7Very high91.6Very high0 Ų054.4 Ų54.40%031%0.306CS..Hα-helixtrans-65.3-41.9175.9-68165.1000110.9F311 L314 A315 A318 E323 R324 F330 C331 F357 T360F311-L327 HydrophobicContact CB-CD2 4.49Å; F311-L327 HydrophobicContact CD1-CD2 3.85Å; L314-L327 HydrophobicContact CB-CD1 3.87Å; L314-L327 HydrophobicContact CB-CD2 4.17Å; L314-L327 HydrophobicContact CD1-CD2 4.35Å; A315-L327 HydrophobicContact CB-CB 3.73Å; A318-L327 HydrophobicContact CB-CD1 4.17Å; E323-L327 WeakPolarHBondContact O-CB 3.4Å; E323-L327 WeakPolarHBondContact O-CD1 3.48Å; E323-L327 WeakPolarHBondContact O-CG 3.47Å; E323-L327 PolarHBondContact O-N 3.5Å; R324-L327 PolarHBondContact O-N 2.75Å; L327-F330 PolarHBondContact O-N 2.67Å; L327-C331 PolarHBondContact O-N 3.1Å; L327-C331 PolarHBondContact O-SG 3.42Å; L327-F357 HydrophobicContact CD1-CD1 4.19Å; L327-F357 HydrophobicContact CD1-CE1 4.41Å; L327-F357 HydrophobicContact CD2-CD1 4.06Å; L327-F357 HydrophobicContact CD2-CD2 4.03Å; L327-F357 HydrophobicContact CD2-CE1 3.8Å; L327-F357 HydrophobicContact CD2-CE2 3.77Å; L327-F357 HydrophobicContact CD2-CG 4.17Å; L327-F357 HydrophobicContact CD2-CZ 3.66Å; L327-F357 HydrophobicContact CG-CD1 4Å; L327-F357 HydrophobicContact CG-CE1 3.74Å; L327-F357 HydrophobicContact CG-CZ 4.07Å; L327-T360 HydrophobicContact CD1-CG2 4.2Å
328L93.7Very high91.7Very high72 Ų7256.5 Ų56.538%0.37731%0.314SS..Hα-helixtrans-65-38.7174.6-70.7176.1000112.1A315 R324 D325 F330 C331 S332A315-L328 HydrophobicContact CB-CD2 3.77Å; A315-L328 HydrophobicContact CB-CG 4.05Å; R324-L328 HydrophobicContact CG-CD1 3.97Å; R324-L328 HydrophobicContact CG-CG 4.33Å; R324-L328 WeakPolarHBondContact O-CB 3.34Å; R324-L328 VanDerWaalsContact O-CG 3.29Å; R324-L328 WeakPolarHBondContact O-CG 3.49Å; R324-L328 PolarHBondContact O-N 3.06Å; D325-L328 PolarHBondContact O-N 3.48Å; L328-F330 PolarHBondContact O-N 2.91Å; L328-C331 CarbonylContact O-C 3.57Å; L328-C331 WeakPolarHBondContact O-CA 3.33Å; L328-C331 PolarHBondContact O-N 3.28Å; L328-S332 PolarHBondContact O-N 3.06Å; L328-S332 VanDerWaalsContact O-N 3.08Å
329E94Very high91.6Very high62 Ų6256.7 Ų56.729%0.2931%0.314SS..Hα-helixtrans-56-51.9173.2-173.6-169.117700109.7D325 K326 C331 S332 G335 Q338D325-E329 WeakPolarHBondContact O-CB 3.44Å; D325-E329 PolarHBondContact O-N 2.72Å; K326-E329 VanDerWaalsContact CD-OE2 3.29Å; K326-E329 WeakPolarHBondContact CD-OE2 3.42Å; K326-E329 IonicContact NZ-OE1 2.76Å; K326-E329 IonicContact NZ-OE2 3.34Å; K326-E329 PolarHBondContact NZ-OE2 3.11Å; K326-E329 WeakPolarHBondContact O-CB 3.26Å; K326-E329 PolarHBondContact O-N 3.17Å; E329-C331 PolarHBondContact O-N 3.47Å; E329-C331 VanDerWaalsContact O-N 3.12Å; E329-S332 WeakPolarHBondContact O-CB 3.49Å; E329-S332 PolarHBondContact O-N 2.8Å; E329-S332 PolarHBondContact O-OG 3.43Å; E329-G335 VanDerWaalsContact O-CA 3.23Å; E329-G335 WeakPolarHBondContact O-CA 3.33Å; E329-Q338 VanDerWaalsContact OE1-CD 3.31Å; E329-Q338 WeakPolarHBondContact OE1-CG 3.4Å; E329-Q338 PolarHBondContact OE1-NE2 2.91Å
330F93.7Very high91.6Very high3 Ų353.8 Ų53.81%0.01329%0.294CS..Hα-helixtrans-57.6-28.5177-67.5-31.2000113.8F311 K326 L327 L328 S332 Q338 L339 Y342 F357F311-F330 HydrophobicContact CD1-CB 4.48Å; F311-F330 AromaticContact CD1-CD2 3.72Å; F311-F330 HydrophobicContact CD1-CD2 3.72Å; F311-F330 HydrophobicContact CD1-CE2 4.43Å; F311-F330 AromaticContact CE1-CD2 3.93Å; F311-F330 HydrophobicContact CE1-CD2 3.93Å; F311-F330 HydrophobicContact CE1-CE2 4.27Å; F311-F330 HydrophobicContact CG-CB 4.45Å; F311-F330 HydrophobicContact CG-CD2 4.48Å; K326-F330 HydrophobicContact CD-CE1 4.43Å; K326-F330 HydrophobicContact CD-CZ 4.24Å; K326-F330 VanDerWaalsContact CE-CZ 3.48Å; K326-F330 HydrophobicContact CG-CE2 4.15Å; K326-F330 HydrophobicContact CG-CZ 4.18Å; K326-F330 WeakPolarHBondContact O-CD2 3.45Å; K326-F330 WeakPolarHBondContact O-CG 3.34Å; K326-F330 PolarHBondContact O-N 3.4Å; K326-F330 VanDerWaalsContact O-N 3.15Å; L327-F330 PolarHBondContact O-N 2.67Å; L328-F330 PolarHBondContact O-N 2.91Å; F330-S332 VanDerWaalsContact C-N 3.35Å; F330-Q338 HydrophobicContact CD1-CB 4.16Å; F330-Q338 HydrophobicContact CE1-CB 3.97Å; F330-L339 HydrophobicContact CB-CB 4.11Å; F330-L339 HydrophobicContact CB-CD1 4.13Å; F330-L339 HydrophobicContact CB-CG 4.48Å; F330-L339 HydrophobicContact CD1-CB 3.96Å; F330-L339 HydrophobicContact CG-CB 4.27Å; F330-L339 HydrophobicContact CG-CD1 4.2Å; F330-L339 WeakPolarHBondContact O-CD2 3.4Å; F330-Y342 HydrophobicContact CE1-CD1 4.42Å; F330-Y342 HydrophobicContact CE1-CG 4.13Å; F330-Y342 AromaticContact CE2-CD1 3.66Å; F330-Y342 HydrophobicContact CE2-CD1 3.66Å; F330-Y342 HydrophobicContact CE2-CD2 4.38Å; F330-Y342 AromaticContact CE2-CE1 3.86Å; F330-Y342 HydrophobicContact CE2-CE1 3.86Å; F330-Y342 AromaticContact CE2-CG 3.96Å; F330-Y342 HydrophobicContact CE2-CG 3.96Å; F330-Y342 AromaticContact CZ-CD1 3.61Å; F330-Y342 HydrophobicContact CZ-CD1 3.61Å; F330-Y342 AromaticContact CZ-CD2 3.79Å; F330-Y342 HydrophobicContact CZ-CD2 3.79Å; F330-Y342 HydrophobicContact CZ-CE1 4.18Å; F330-Y342 HydrophobicContact CZ-CE2 4.34Å; F330-Y342 AromaticContact CZ-CG 3.41Å; F330-Y342 HydrophobicContact CZ-CG 3.41Å; F330-Y342 VanDerWaalsContact CZ-CG 3.41Å; F330-F357 HydrophobicContact CD2-CZ 4.46Å; F330-F357 HydrophobicContact CE2-CE2 4.25Å; F330-F357 AromaticContact CE2-CZ 3.82Å; F330-F357 HydrophobicContact CE2-CZ 3.82Å
331C90.3Very high91.5Very high17 Ų1755.3 Ų55.312%0.11531%0.308CS..THydrogen-bonded Turntrans-85.7-5.4177.2-60.40000113.3R308 F311 E312 L327 L328 E329R308-C331 PolarHBondContact NE-O 3.28Å; R308-C331 PolarHBondContact NH2-O 3.49Å; F311-C331 VanDerWaalsContact CB-SG 3.59Å; E312-C331 VanDerWaalsContact CA-SG 3.55Å; E312-C331 HydrophobicContact CG-CB 3.95Å; E312-C331 WeakPolarHBondContact CG-SG 3.34Å; E312-C331 PolarHBondContact N-SG 2.72Å; L327-C331 PolarHBondContact O-N 3.1Å; L327-C331 PolarHBondContact O-SG 3.42Å; L328-C331 CarbonylContact O-C 3.57Å; L328-C331 WeakPolarHBondContact O-CA 3.33Å; L328-C331 PolarHBondContact O-N 3.28Å; E329-C331 PolarHBondContact O-N 3.47Å; E329-C331 VanDerWaalsContact O-N 3.12Å
332S87.9Confident91.5Very high37 Ų3752.7 Ų52.726%0.25929%0.291SS..SBendtrans-90.4155-179.1760000111.7L328 E329 F330 A334 G335L328-S332 PolarHBondContact O-N 3.06Å; L328-S332 VanDerWaalsContact O-N 3.08Å; E329-S332 WeakPolarHBondContact O-CB 3.49Å; E329-S332 PolarHBondContact O-N 2.8Å; E329-S332 PolarHBondContact O-OG 3.43Å; F330-S332 VanDerWaalsContact C-N 3.35Å; S332-A334 PolarHBondContact O-N 3.39Å; S332-G335 PolarHBondContact O-N 2.93Å; S332-G335 PolarHBondContact OG-N 2.68Å
333P82.9Confident91.3Very high102 Ų10245.8 Ų45.866%0.66226%0.255SS*.SBendtrans-56.2-36.5171.1-25.735.1000113.1R336P333-R336 WeakPolarHBondContact O-CB 3.22Å
334A85.9Confident91Very high86 Ų8648.1 Ų48.171%0.71127%0.268SS*.THydrogen-bonded Turntrans-75-26.7-179.100000113.5S332 R336 Q338S332-A334 PolarHBondContact O-N 3.39Å; A334-R336 VanDerWaalsContact C-N 3.33Å; A334-Q338 PolarHBondContact O-OE1 2.66Å
335G88.4Confident90.7Very high0 Ų052 Ų520%028%0.283CS..THydrogen-bonded Turntrans-90.59.3-178.800000115E329 S332 Q338 L339E329-G335 VanDerWaalsContact O-CA 3.23Å; E329-G335 WeakPolarHBondContact O-CA 3.33Å; S332-G335 PolarHBondContact O-N 2.93Å; S332-G335 PolarHBondContact OG-N 2.68Å; G335-Q338 WeakPolarHBondContact O-CB 3.24Å; G335-Q338 PolarHBondContact O-N 3.18Å; G335-Q338 PolarHBondContact O-OE1 2.87Å; G335-L339 PolarHBondContact O-N 3.39Å
336R85Confident90.6Very high25 Ų2547.6 Ų47.69%0.09426%0.26CS..Hα-helixtrans-68-39.6-172.6-166.4158.9-169.3137.84113.3L136 D139 D143 P333 A334 Q338 L339 Q340L136-R336 HydrophobicContact CD2-CG 4.31Å; L136-R336 PolarHBondContact O-NE 3.17Å; L136-R336 PolarHBondContact O-NH2 2.55Å; D139-R336 VanDerWaalsContact CA-NH2 3.3Å; D139-R336 IonicContact OD2-CZ 3.56Å; D139-R336 IonicContact OD2-NH1 2.87Å; D139-R336 IonicContact OD2-NH2 3.45Å; D139-R336 PolarHBondContact OD2-NH2 3.1Å; D143-R336 IonicContact OD2-NH1 3.51Å; D143-R336 PolarHBondContact OD2-NH1 3.45Å; P333-R336 WeakPolarHBondContact O-CB 3.22Å; A334-R336 VanDerWaalsContact C-N 3.33Å; R336-Q338 VanDerWaalsContact C-N 3.29Å; R336-Q338 PolarHBondContact O-N 3.38Å; R336-L339 PolarHBondContact O-N 2.74Å; R336-Q340 WeakPolarHBondContact O-CG 3.19Å; R336-Q340 PolarHBondContact O-N 2.87Å
337D87.9Confident90.5Very high96 Ų9650.1 Ų50.151%0.51327%0.267SS..Hα-helixtrans-65.4-37.3174.8-77.9-24.2000111.2Q340 A341D337-Q340 PolarHBondContact O-N 2.82Å; D337-A341 VanDerWaalsContact O-CB 3.31Å; D337-A341 WeakPolarHBondContact O-CB 3.48Å; D337-A341 PolarHBondContact O-N 2.92Å
338Q91.8Very high90.4Very high69 Ų6951.6 Ų51.632%0.32227%0.273SS..Hα-helixtrans-64.2-44.9173.7-63.487.7-35.300110.5E329 F330 A334 G335 R336 Q340 A341 Y342E329-Q338 VanDerWaalsContact OE1-CD 3.31Å; E329-Q338 WeakPolarHBondContact OE1-CG 3.4Å; E329-Q338 PolarHBondContact OE1-NE2 2.91Å; F330-Q338 HydrophobicContact CD1-CB 4.16Å; F330-Q338 HydrophobicContact CE1-CB 3.97Å; A334-Q338 PolarHBondContact O-OE1 2.66Å; G335-Q338 WeakPolarHBondContact O-CB 3.24Å; G335-Q338 PolarHBondContact O-N 3.18Å; G335-Q338 PolarHBondContact O-OE1 2.87Å; R336-Q338 VanDerWaalsContact C-N 3.29Å; R336-Q338 PolarHBondContact O-N 3.38Å; Q338-Q340 VanDerWaalsContact C-N 3.34Å; Q338-Q340 PolarHBondContact O-N 3.31Å; Q338-A341 PolarHBondContact O-N 3.39Å; Q338-Y342 WeakPolarHBondContact O-CB 3.37Å; Q338-Y342 PolarHBondContact O-N 3.25Å
339L92Very high90.5Very high13 Ų1349.5 Ų49.57%0.06826%0.263CS..Hα-helixtrans-61.1-42.2175.7175.658.3000111.2R308 F311 F330 G335 R336 Y342 C343R308-L339 HydrophobicContact CB-CD2 4.44Å; F311-L339 HydrophobicContact CD2-CD1 3.83Å; F311-L339 HydrophobicContact CE1-CD1 4.18Å; F311-L339 HydrophobicContact CE2-CD1 3.38Å; F311-L339 HydrophobicContact CG-CD1 4.4Å; F311-L339 HydrophobicContact CZ-CD1 3.58Å; F330-L339 HydrophobicContact CB-CB 4.11Å; F330-L339 HydrophobicContact CB-CD1 4.13Å; F330-L339 HydrophobicContact CB-CG 4.48Å; F330-L339 HydrophobicContact CD1-CB 3.96Å; F330-L339 HydrophobicContact CG-CB 4.27Å; F330-L339 HydrophobicContact CG-CD1 4.2Å; F330-L339 WeakPolarHBondContact O-CD2 3.4Å; G335-L339 PolarHBondContact O-N 3.39Å; R336-L339 PolarHBondContact O-N 2.74Å; L339-Y342 PolarHBondContact O-N 3.15Å; L339-C343 HydrophobicContact CD1-CB 3.74Å; L339-C343 WeakPolarHBondContact O-CA 3.21Å; L339-C343 WeakPolarHBondContact O-CB 3.46Å; L339-C343 PolarHBondContact O-N 3.02Å
340Q89.3Confident90.7Very high25 Ų2546.6 Ų46.612%0.11725%0.25CC..Iπ-helixtrans-65.8-43176.6-74.6-173.411.300113.3D135 R336 D337 Q338 Y342 D344 R345D135-Q340 PolarHBondContact O-NE2 3.47Å; R336-Q340 WeakPolarHBondContact O-CG 3.19Å; R336-Q340 PolarHBondContact O-N 2.87Å; D337-Q340 PolarHBondContact O-N 2.82Å; Q338-Q340 VanDerWaalsContact C-N 3.34Å; Q338-Q340 PolarHBondContact O-N 3.31Å; Q340-Y342 VanDerWaalsContact C-N 3.3Å; Q340-D344 WeakPolarHBondContact CA-OD2 3.22Å; Q340-D344 HydrophobicContact CG-CB 4.49Å; Q340-D344 PolarHBondContact O-N 3.2Å; Q340-R345 HydrophobicContact CB-CG 4.46Å; Q340-R345 WeakPolarHBondContact O-CB 3.24Å; Q340-R345 WeakPolarHBondContact O-CG 3.45Å; Q340-R345 PolarHBondContact O-N 3.19Å
341A91.3Very high90.8Very high59 Ų5946.7 Ų46.749%0.48825%0.251SS..Iπ-helixtrans-65.8-38.2178.400000111.3D337 Q338 P346D337-A341 VanDerWaalsContact O-CB 3.31Å; D337-A341 WeakPolarHBondContact O-CB 3.48Å; D337-A341 PolarHBondContact O-N 2.92Å; Q338-A341 PolarHBondContact O-N 3.39Å; A341-P346 WeakPolarHBondContact O-CD 3.34Å
342Y93.8Very high91.1Very high42 Ų4247 Ų4717%0.16525%0.25CC..Iπ-helixtrans-72.9-63.5176.5178.6-96000110.5F311 F330 Q338 L339 Q340 P346 R348 V353 D356 F357F311-Y342 HydrophobicContact CE1-CD1 4.32Å; F311-Y342 AromaticContact CE1-CE1 3.93Å; F311-Y342 HydrophobicContact CE1-CE1 3.93Å; F311-Y342 HydrophobicContact CZ-CD1 4.45Å; F311-Y342 HydrophobicContact CZ-CE1 4.28Å; F330-Y342 HydrophobicContact CE1-CD1 4.42Å; F330-Y342 HydrophobicContact CE1-CG 4.13Å; F330-Y342 AromaticContact CE2-CD1 3.66Å; F330-Y342 HydrophobicContact CE2-CD1 3.66Å; F330-Y342 HydrophobicContact CE2-CD2 4.38Å; F330-Y342 AromaticContact CE2-CE1 3.86Å; F330-Y342 HydrophobicContact CE2-CE1 3.86Å; F330-Y342 AromaticContact CE2-CG 3.96Å; F330-Y342 HydrophobicContact CE2-CG 3.96Å; F330-Y342 AromaticContact CZ-CD1 3.61Å; F330-Y342 HydrophobicContact CZ-CD1 3.61Å; F330-Y342 AromaticContact CZ-CD2 3.79Å; F330-Y342 HydrophobicContact CZ-CD2 3.79Å; F330-Y342 HydrophobicContact CZ-CE1 4.18Å; F330-Y342 HydrophobicContact CZ-CE2 4.34Å; F330-Y342 AromaticContact CZ-CG 3.41Å; F330-Y342 HydrophobicContact CZ-CG 3.41Å; F330-Y342 VanDerWaalsContact CZ-CG 3.41Å; Q338-Y342 WeakPolarHBondContact O-CB 3.37Å; Q338-Y342 PolarHBondContact O-N 3.25Å; L339-Y342 PolarHBondContact O-N 3.15Å; Q340-Y342 VanDerWaalsContact C-N 3.3Å; Y342-P346 WeakPolarHBondContact O-CG 3.37Å; Y342-R348 VanDerWaalsContact CD1-NH1 3.33Å; Y342-R348 PolarHBondContact O-NH1 2.92Å; Y342-V353 HydrophobicContact CE1-CG2 3.99Å; Y342-D356 WeakPolarHBondContact OH-CB 3.04Å; Y342-D356 PolarHBondContact OH-OD2 3.12Å; Y342-D356 VanDerWaalsContact OH-OD2 3.06Å; Y342-F357 HydrophobicContact CE1-CE2 4.28Å; Y342-F357 AromaticContact CZ-CE2 3.9Å; Y342-F357 WeakPolarHBondContact OH-CE2 3.47Å
343C92.9Very high91.5Very high0 Ų045.2 Ų45.20%024%0.238CC..Iπ-helixtrans-95.6-62.1-167.4-164.90000113.6F311 L339 P346 R347 R348F311-C343 HydrophobicContact CE2-CB 4.42Å; F311-C343 HydrophobicContact CZ-CB 3.98Å; L339-C343 HydrophobicContact CD1-CB 3.74Å; L339-C343 WeakPolarHBondContact O-CA 3.21Å; L339-C343 WeakPolarHBondContact O-CB 3.46Å; L339-C343 PolarHBondContact O-N 3.02Å; C343-P346 WeakPolarHBondContact O-CD 3.36Å; C343-R347 WeakPolarHBondContact O-CA 3.46Å; C343-R347 PolarHBondContact O-N 3.47Å; C343-R348 PolarHBondContact O-N 3.27Å
344D89.3Confident92.2Very high66 Ų6640.4 Ų40.435%0.35321%0.206SC..Iπ-helixtrans-69.6-51.7-162.3-59.5-57.3000113.6Q340 R347Q340-D344 WeakPolarHBondContact CA-OD2 3.22Å; Q340-D344 HydrophobicContact CG-CB 4.49Å; Q340-D344 PolarHBondContact O-N 3.2Å; D344-R347 VanDerWaalsContact O-CD 3.31Å; D344-R347 WeakPolarHBondContact O-CD 3.29Å; D344-R347 WeakPolarHBondContact O-CG 3.46Å; D344-R347 PolarHBondContact O-N 3.42Å; D344-R347 VanDerWaalsContact O-N 3.12Å
345R88.8Confident92.7Very high145 Ų14537.5 Ų37.555%0.54718%0.182SC..THydrogen-bonded Turntrans-62.2-45.5-178-65.5176.5-171.2170.54.8112.5Q340 R347Q340-R345 HydrophobicContact CB-CG 4.46Å; Q340-R345 WeakPolarHBondContact O-CB 3.24Å; Q340-R345 WeakPolarHBondContact O-CG 3.45Å; Q340-R345 PolarHBondContact O-N 3.19Å; R345-R347 VanDerWaalsContact C-N 3.28Å
346P92.1Very high93.1Very high6 Ų641.2 Ų41.24%0.03920%0.202CC..THydrogen-bonded Turntrans-80.6-7.9174.930.1-33.6000114A341 Y342 C343 T405 L407A341-P346 WeakPolarHBondContact O-CD 3.34Å; Y342-P346 WeakPolarHBondContact O-CG 3.37Å; C343-P346 WeakPolarHBondContact O-CD 3.36Å; P346-T405 WeakPolarHBondContact O-CB 3.22Å; P346-T405 WeakPolarHBondContact O-CG2 3.34Å; P346-T405 PolarHBondContact O-OG1 3.31Å; P346-L407 HydrophobicContact CB-CD1 3.75Å; P346-L407 HydrophobicContact CB-CD2 4.39Å; P346-L407 HydrophobicContact CB-CG 3.67Å
347R93Very high93.7Very high128 Ų12840.7 Ų40.748%0.48320%0.201SC..THydrogen-bonded Turntrans58.350.8-175.8-55.4-80-76.6-167.9-2.5110.7V305 C343 D344 R345 Y403 R411V305-R347 HydrophobicContact CG2-CB 4.05Å; C343-R347 WeakPolarHBondContact O-CA 3.46Å; C343-R347 PolarHBondContact O-N 3.47Å; D344-R347 VanDerWaalsContact O-CD 3.31Å; D344-R347 WeakPolarHBondContact O-CD 3.29Å; D344-R347 WeakPolarHBondContact O-CG 3.46Å; D344-R347 PolarHBondContact O-N 3.42Å; D344-R347 VanDerWaalsContact O-N 3.12Å; R345-R347 VanDerWaalsContact C-N 3.28Å; R347-Y403 HydrophobicContact CG-CE2 4.37Å; R347-Y403 WeakPolarHBondContact CG-OH 3.19Å; R347-Y403 PolarHBondContact NE-OH 2.74Å; R347-R411 HydrophobicContact CB-CG 4.3Å; R347-R411 WeakPolarHBondContact O-CD 3.41Å; R347-R411 PolarHBondContact O-NH1 2.73Å
348R95.1Very high94.1Very high31 Ų3139.6 Ų39.612%0.11720%0.199CC..  trans-65.6134.9175.9-170.4176.7-79.7102.114.7108.8P306 Y342 C343 E352 V353 D356P306-R348 VanDerWaalsContact CD-O 3.25Å; P306-R348 WeakPolarHBondContact CD-O 3.49Å; Y342-R348 VanDerWaalsContact CD1-NH1 3.33Å; Y342-R348 PolarHBondContact O-NH1 2.92Å; C343-R348 PolarHBondContact O-N 3.27Å; R348-E352 WeakPolarHBondContact CA-OE2 3.43Å; R348-E352 HydrophobicContact CG-CB 3.54Å; R348-V353 HydrophobicContact CG-CG2 3.96Å; R348-D356 WeakPolarHBondContact CD-OD2 3.17Å; R348-D356 IonicContact CZ-OD2 3.4Å; R348-D356 IonicContact NE-OD2 3.21Å; R348-D356 PolarHBondContact NE-OD2 3.19Å
349T95.9Very high94.2Very high27 Ų2740.8 Ų40.817%0.16621%0.207CC..  trans-86.4159.4-176.859.80000111.5A303 A304 L351 E352 V353A303-T349 WeakPolarHBondContact O-CG2 3.46Å; A304-T349 CarbonylContact O-C 3.59Å; A304-T349 WeakPolarHBondContact O-CA 3.45Å; T349-L351 PolarHBondContact O-N 3.06Å; T349-E352 PolarHBondContact N-OE2 3.44Å; T349-E352 PolarHBondContact O-N 2.95Å; T349-E352 VanDerWaalsContact O-N 3.09Å; T349-E352 VanDerWaalsContact OG1-CG 3.29Å; T349-E352 WeakPolarHBondContact OG1-CG 3.44Å; T349-E352 PolarHBondContact OG1-N 3.31Å; T349-E352 PolarHBondContact OG1-OE2 3.15Å; T349-V353 WeakPolarHBondContact O-CG2 3.4Å; T349-V353 PolarHBondContact O-N 2.84Å
350A96.6Very high94.4Very high2 Ų240.2 Ų40.22%0.01720%0.204CC..Hα-helixtrans-53.7-43.917400000111.6V302 A304 P306 F310 E352 V353 L354V302-A350 PolarHBondContact O-N 3.01Å; A304-A350 PolarHBondContact O-N 3.38Å; P306-A350 VanDerWaalsContact CG-CA 3.43Å; P306-A350 HydrophobicContact CG-CB 3.87Å; F310-A350 HydrophobicContact CE2-CB 3.95Å; F310-A350 HydrophobicContact CZ-CB 4.2Å; A350-E352 VanDerWaalsContact C-N 3.31Å; A350-E352 PolarHBondContact O-N 3.28Å; A350-V353 PolarHBondContact O-N 2.81Å; A350-V353 VanDerWaalsContact O-N 3.16Å; A350-L354 WeakPolarHBondContact O-CG 3.42Å; A350-L354 PolarHBondContact O-N 3.23Å
351L96.6Very high94.7Very high5 Ų539.1 Ų39.13%0.02620%0.199CC..Hα-helixtrans-61.1-37.1177.5-173.559.3000113.6D256 R259 F260 L263 V302 T349 A355D256-L351 HydrophobicContact CB-CD2 3.8Å; R259-L351 HydrophobicContact CB-CD2 4.28Å; R259-L351 HydrophobicContact CG-CD1 4.22Å; R259-L351 HydrophobicContact CG-CD2 4.26Å; R259-L351 HydrophobicContact CG-CG 4.35Å; F260-L351 HydrophobicContact CB-CD1 3.8Å; F260-L351 HydrophobicContact CD2-CD1 4.02Å; F260-L351 HydrophobicContact CG-CD1 4.43Å; L263-L351 HydrophobicContact CD1-CD1 3.75Å; V302-L351 HydrophobicContact CB-CB 4.31Å; V302-L351 PolarHBondContact O-N 3.41Å; T349-L351 PolarHBondContact O-N 3.06Å; L351-A355 PolarHBondContact O-N 3.14Å
352E96.4Very high94.8Very high22 Ų2237.6 Ų37.610%0.10319%0.187CC..Hα-helixtrans-72-38.3174.7-73.6165.2148.200111.8R348 T349 A350 A355 D356 R411R348-E352 WeakPolarHBondContact CA-OE2 3.43Å; R348-E352 HydrophobicContact CG-CB 3.54Å; T349-E352 PolarHBondContact N-OE2 3.44Å; T349-E352 PolarHBondContact O-N 2.95Å; T349-E352 VanDerWaalsContact O-N 3.09Å; T349-E352 VanDerWaalsContact OG1-CG 3.29Å; T349-E352 WeakPolarHBondContact OG1-CG 3.44Å; T349-E352 PolarHBondContact OG1-N 3.31Å; T349-E352 PolarHBondContact OG1-OE2 3.15Å; A350-E352 VanDerWaalsContact C-N 3.31Å; A350-E352 PolarHBondContact O-N 3.28Å; E352-A355 WeakPolarHBondContact O-CB 3.48Å; E352-A355 PolarHBondContact O-N 3.37Å; E352-D356 WeakPolarHBondContact O-CB 3.49Å; E352-D356 VanDerWaalsContact O-CG 3.27Å; E352-D356 PolarHBondContact O-N 3.32Å; E352-R411 VanDerWaalsContact CD-NH1 3.26Å; E352-R411 IonicContact OE1-CZ 2.71Å; E352-R411 IonicContact OE1-NH1 3.75Å; E352-R411 PolarHBondContact OE1-NH1 3.3Å; E352-R411 IonicContact OE1-NH2 2.68Å; E352-R411 PolarHBondContact OE1-NH2 2.72Å; E352-R411 IonicContact OE2-CZ 2.76Å; E352-R411 IonicContact OE2-NH1 3.55Å; E352-R411 PolarHBondContact OE2-NH1 2.65Å; E352-R411 IonicContact OE2-NH2 2.86Å
353V97.3Very high94.6Very high0 Ų040.7 Ų40.70%020%0.203CC..Hα-helixtrans-63.1-43.4175.41790000110.8P306 F310 F311 L314 Y342 R348 T349 A350 A355 D356 F357P306-V353 HydrophobicContact CG-CB 4.46Å; P306-V353 HydrophobicContact CG-CG2 3.95Å; F310-V353 HydrophobicContact CD1-CG1 4.37Å; F310-V353 HydrophobicContact CE1-CB 4.04Å; F310-V353 HydrophobicContact CE1-CG1 3.65Å; F311-V353 HydrophobicContact CD1-CG1 4.42Å; F311-V353 HydrophobicContact CE1-CG1 3.72Å; F311-V353 HydrophobicContact CE1-CG2 4.3Å; F311-V353 HydrophobicContact CZ-CG1 4.33Å; F311-V353 HydrophobicContact CZ-CG2 4.19Å; L314-V353 HydrophobicContact CD1-CG1 4.35Å; Y342-V353 HydrophobicContact CE1-CG2 3.99Å; R348-V353 HydrophobicContact CG-CG2 3.96Å; T349-V353 WeakPolarHBondContact O-CG2 3.4Å; T349-V353 PolarHBondContact O-N 2.84Å; A350-V353 PolarHBondContact O-N 2.81Å; A350-V353 VanDerWaalsContact O-N 3.16Å; V353-A355 PolarHBondContact O-N 3.04Å; V353-D356 PolarHBondContact O-N 3.05Å; V353-D356 VanDerWaalsContact O-N 3.08Å; V353-F357 HydrophobicContact CG1-CD2 3.72Å; V353-F357 HydrophobicContact CG1-CE2 3.94Å; V353-F357 WeakPolarHBondContact O-CD2 3.42Å; V353-F357 PolarHBondContact O-N 2.94Å
354L97.1Very high94.7Very high1 Ų141.3 Ų41.31%0.00521%0.206CC..Hα-helixtrans-58.8-38.1174.1-66.8173.2000111.9F260 L263 L264 F310 L314 A350 F357 T361 L364 L372 I373F260-L354 HydrophobicContact CD2-CD1 4.17Å; F260-L354 HydrophobicContact CE2-CD1 3.82Å; L263-L354 HydrophobicContact CD1-CB 4.29Å; L264-L354 HydrophobicContact CD1-CD1 4.2Å; F310-L354 HydrophobicContact CZ-CD2 3.96Å; F310-L354 HydrophobicContact CZ-CG 4.1Å; L314-L354 HydrophobicContact CD1-CD2 4.37Å; L314-L354 HydrophobicContact CD2-CD2 4.22Å; A350-L354 WeakPolarHBondContact O-CG 3.42Å; A350-L354 PolarHBondContact O-N 3.23Å; L354-F357 CarbonylContact O-C 3.59Å; L354-T361 WeakPolarHBondContact CA-OG1 3.48Å; L354-T361 HydrophobicContact CB-CG2 3.95Å; L354-T361 HydrophobicContact CD2-CG2 4.15Å; L354-T361 WeakPolarHBondContact O-CB 3.33Å; L354-T361 PolarHBondContact O-OG1 3.28Å; L354-L364 HydrophobicContact CD2-CD2 4.25Å; L354-L372 HydrophobicContact CD2-CD2 4.41Å; L354-I373 HydrophobicContact CD1-CD1 4.43Å
355A96.9Very high94.8Very high25 Ų2543 Ų4321%0.20721%0.211CC..Hα-helixtrans-69.2-33.3174.900000113.6L263 L351 E352 V353 F357L263-A355 HydrophobicContact CD1-CB 3.99Å; L263-A355 HydrophobicContact CD2-CB 4.11Å; L351-A355 PolarHBondContact O-N 3.14Å; E352-A355 WeakPolarHBondContact O-CB 3.48Å; E352-A355 PolarHBondContact O-N 3.37Å; V353-A355 PolarHBondContact O-N 3.04Å; A355-F357 VanDerWaalsContact C-N 3.32Å
356D96.6Very high95.1Very high79 Ų7937.7 Ų37.742%0.42220%0.196SC..Hα-helixtrans-77-18.2-179.9-71.4-14.6000112.4Y342 R348 E352 V353 P358Y342-D356 WeakPolarHBondContact OH-CB 3.04Å; Y342-D356 PolarHBondContact OH-OD2 3.12Å; Y342-D356 VanDerWaalsContact OH-OD2 3.06Å; R348-D356 WeakPolarHBondContact CD-OD2 3.17Å; R348-D356 IonicContact CZ-OD2 3.4Å; R348-D356 IonicContact NE-OD2 3.21Å; R348-D356 PolarHBondContact NE-OD2 3.19Å; E352-D356 WeakPolarHBondContact O-CB 3.49Å; E352-D356 VanDerWaalsContact O-CG 3.27Å; E352-D356 PolarHBondContact O-N 3.32Å; V353-D356 PolarHBondContact O-N 3.05Å; V353-D356 VanDerWaalsContact O-N 3.08Å; D356-P358 WeakPolarHBondContact O-CD 3.35Å
357F97.1Very high95.2Very high13 Ų1339 Ų396%0.05720%0.203CC..SBendtrans-119.765175.3-67.3-81.8000111.5E323 K326 L327 F330 Y342 V353 L354 A355 L359 T361E323-F357 HydrophobicContact CB-CD1 3.9Å; E323-F357 HydrophobicContact CB-CE1 4.44Å; E323-F357 HydrophobicContact CG-CD1 3.9Å; K326-F357 HydrophobicContact CB-CE1 4.21Å; K326-F357 HydrophobicContact CG-CE1 4.19Å; K326-F357 HydrophobicContact CG-CZ 4.15Å; L327-F357 HydrophobicContact CD1-CD1 4.19Å; L327-F357 HydrophobicContact CD1-CE1 4.41Å; L327-F357 HydrophobicContact CD2-CD1 4.06Å; L327-F357 HydrophobicContact CD2-CD2 4.03Å; L327-F357 HydrophobicContact CD2-CE1 3.8Å; L327-F357 HydrophobicContact CD2-CE2 3.77Å; L327-F357 HydrophobicContact CD2-CG 4.17Å; L327-F357 HydrophobicContact CD2-CZ 3.66Å; L327-F357 HydrophobicContact CG-CD1 4Å; L327-F357 HydrophobicContact CG-CE1 3.74Å; L327-F357 HydrophobicContact CG-CZ 4.07Å; F330-F357 HydrophobicContact CD2-CZ 4.46Å; F330-F357 HydrophobicContact CE2-CE2 4.25Å; F330-F357 AromaticContact CE2-CZ 3.82Å; F330-F357 HydrophobicContact CE2-CZ 3.82Å; Y342-F357 HydrophobicContact CE1-CE2 4.28Å; Y342-F357 AromaticContact CZ-CE2 3.9Å; Y342-F357 WeakPolarHBondContact OH-CE2 3.47Å; V353-F357 HydrophobicContact CG1-CD2 3.72Å; V353-F357 HydrophobicContact CG1-CE2 3.94Å; V353-F357 WeakPolarHBondContact O-CD2 3.42Å; V353-F357 PolarHBondContact O-N 2.94Å; L354-F357 CarbonylContact O-C 3.59Å; A355-F357 VanDerWaalsContact C-N 3.32Å; F357-L359 PolarHBondContact O-N 2.68Å; F357-T361 WeakPolarHBondContact O-CB 3.27Å; F357-T361 PolarHBondContact O-N 3.22Å; F357-T361 PolarHBondContact O-OG1 3.18Å
358P95.5Very high95.2Very high73 Ų7334.9 Ų34.947%0.47419%0.187SC..Hα-helixtrans-68.5-31.2-169.128.1-36.6000113.8E323 D356 A362E323-P358 WeakPolarHBondContact OE1-CD 3.46Å; D356-P358 WeakPolarHBondContact O-CD 3.35Å; P358-A362 WeakPolarHBondContact O-CB 3.36Å; P358-A362 PolarHBondContact O-N 3.41Å
359L95.4Very high95.1Very high95 Ų9533.5 Ų33.550%0.49718%0.182SC..Hα-helixtrans-72.1-46.2-179.3-59.3177000110.4E323 F357 T361 A362 E363E323-L359 WeakPolarHBondContact OE1-CB 3.47Å; E323-L359 PolarHBondContact OE1-N 3.16Å; E323-L359 VanDerWaalsContact OE1-N 3.12Å; E323-L359 PolarHBondContact OE2-N 3.33Å; F357-L359 PolarHBondContact O-N 2.68Å; L359-T361 VanDerWaalsContact C-N 3.35Å; L359-A362 PolarHBondContact O-N 2.95Å; L359-E363 WeakPolarHBondContact O-CG 3.28Å
360T95.4Very high95Very high0 Ų033.5 Ų33.50%018%0.181CC..Hα-helixtrans-64.1-41174.9-56.90000111.3L314 V317 A318 E323 L327 A362 E363 L364L314-T360 HydrophobicContact CB-CG2 4.25Å; L314-T360 HydrophobicContact CD2-CG2 4.22Å; L314-T360 WeakPolarHBondContact O-CG2 3.47Å; V317-T360 HydrophobicContact CG2-CG2 4.06Å; A318-T360 HydrophobicContact CB-CG2 3.85Å; A318-T360 WeakPolarHBondContact CB-OG1 3.36Å; E323-T360 WeakPolarHBondContact OE2-CB 3.45Å; E323-T360 PolarHBondContact OE2-N 2.91Å; E323-T360 PolarHBondContact OE2-OG1 2.79Å; L327-T360 HydrophobicContact CD1-CG2 4.2Å; T360-A362 VanDerWaalsContact C-N 3.32Å; T360-A362 PolarHBondContact O-N 3.48Å; T360-E363 PolarHBondContact O-N 3.49Å; T360-L364 PolarHBondContact O-N 3.04Å
361T95.9Very high94.7Very high2 Ų235.4 Ų35.41%0.01219%0.191CC..Hα-helixtrans-65.2-35.4179.8-63.70000112.4L263 L264 L354 F357 L359 E363 L364L263-T361 HydrophobicContact CB-CG2 4.1Å; L264-T361 HydrophobicContact CD1-CG2 4.5Å; L264-T361 HydrophobicContact CG-CG2 4.24Å; L354-T361 WeakPolarHBondContact CA-OG1 3.48Å; L354-T361 HydrophobicContact CB-CG2 3.95Å; L354-T361 HydrophobicContact CD2-CG2 4.15Å; L354-T361 WeakPolarHBondContact O-CB 3.33Å; L354-T361 PolarHBondContact O-OG1 3.28Å; F357-T361 WeakPolarHBondContact O-CB 3.27Å; F357-T361 PolarHBondContact O-N 3.22Å; F357-T361 PolarHBondContact O-OG1 3.18Å; L359-T361 VanDerWaalsContact C-N 3.35Å; T361-E363 PolarHBondContact O-N 3.37Å; T361-L364 WeakPolarHBondContact O-CB 3.49Å; T361-L364 PolarHBondContact O-N 2.93Å
362A92Very high94.6Very high28 Ų2835.7 Ų35.723%0.23119%0.192CC..Hα-helixtrans-66.8-23.1177.500000113.5P358 L359 T360P358-A362 WeakPolarHBondContact O-CB 3.36Å; P358-A362 PolarHBondContact O-N 3.41Å; L359-A362 PolarHBondContact O-N 2.95Å; T360-A362 VanDerWaalsContact C-N 3.32Å; T360-A362 PolarHBondContact O-N 3.48Å
363E90.9Very high94.5Very high107 Ų10734.9 Ų34.950%0.519%0.188SC..THydrogen-bonded Turntrans-95.9-0178.9-57.8-61136.800112.5T319 L359 T360 T361 E365T319-E363 HydrophobicContact CG2-CB 4.37Å; T319-E363 HydrophobicContact CG2-CG 3.83Å; L359-E363 WeakPolarHBondContact O-CG 3.28Å; T360-E363 PolarHBondContact O-N 3.49Å; T361-E363 PolarHBondContact O-N 3.37Å; E363-E365 PolarHBondContact O-N 2.6Å
364L93.8Very high94.3Very high12 Ų1237.6 Ų37.66%0.06321%0.206CC..  trans-74.6110.1-177.1-176.164.3000111.2L264 L314 V317 L354 T360 T361 R368 L369 L372L264-L364 HydrophobicContact CD2-CB 4.46Å; L264-L364 HydrophobicContact CD2-CD2 3.81Å; L264-L364 HydrophobicContact CD2-CG 4.31Å; L314-L364 HydrophobicContact CD2-CD1 4.46Å; L314-L364 HydrophobicContact CD2-CD2 4.39Å; V317-L364 HydrophobicContact CG2-CD1 4.22Å; L354-L364 HydrophobicContact CD2-CD2 4.25Å; T360-L364 PolarHBondContact O-N 3.04Å; T361-L364 WeakPolarHBondContact O-CB 3.49Å; T361-L364 PolarHBondContact O-N 2.93Å; L364-R368 HydrophobicContact CD1-CB 4Å; L364-L369 HydrophobicContact CD2-CD2 3.99Å; L364-L369 HydrophobicContact CG-CD2 4.44Å; L364-L372 HydrophobicContact CD1-CD2 4.18Å; L364-L372 HydrophobicContact CD2-CD2 3.44Å; L364-L372 VanDerWaalsContact CD2-CD2 3.44Å; L364-L372 HydrophobicContact CG-CD2 4.47Å
365E93.1Very high94.1Very high101 Ų10139 Ų3947%0.47221%0.213SC..  trans-66.1141177.3-63.8174.8143.500112.4E363 D367 R368E363-E365 PolarHBondContact O-N 2.6Å; E365-D367 PolarHBondContact O-N 2.71Å; E365-D367 VanDerWaalsContact O-N 3.12Å; E365-R368 PolarHBondContact O-N 2.68Å; E365-R368 IonicContact OE2-NE 3.66Å; E365-R368 PolarHBondContact OE2-NE 2.6Å; E365-R368 IonicContact OE2-NH2 3.33Å
366P93.8Very high93.9Very high34 Ų3437.9 Ų37.922%0.22120%0.203CC..G310 helixtrans-56.1-30.2178.7-27.736.2000114.5L178 F180 L266 R368 L369L178-P366 HydrophobicContact CD2-CB 4.05Å; F180-P366 HydrophobicContact CE2-CB 3.93Å; F180-P366 HydrophobicContact CE2-CG 4.03Å; F180-P366 HydrophobicContact CZ-CB 4.2Å; F180-P366 HydrophobicContact CZ-CG 4.36Å; L266-P366 HydrophobicContact CD2-CG 3.83Å; P366-R368 PolarHBondContact O-N 3.32Å; P366-R368 VanDerWaalsContact O-N 3.16Å; P366-L369 WeakPolarHBondContact O-CB 3.24Å; P366-L369 VanDerWaalsContact O-CG 3.24Å; P366-L369 WeakPolarHBondContact O-CG 3.43Å; P366-L369 PolarHBondContact O-N 3.07Å
367D93.8Very high93.7Very high35 Ų3537.5 Ų37.519%0.18720%0.199CC..G310 helixtrans-59.5-25.3178.5-67.7-5.8000113.1P174 Y176 L178 E365P174-D367 HydrophobicContact CB-CB 3.99Å; P174-D367 WeakPolarHBondContact CB-O 3.16Å; P174-D367 HydrophobicContact CG-CB 3.81Å; Y176-D367 WeakPolarHBondContact O-CB 3.48Å; L178-D367 WeakPolarHBondContact CB-OD1 3.27Å; L178-D367 PolarHBondContact N-OD1 2.81Å; E365-D367 PolarHBondContact O-N 2.71Å; E365-D367 VanDerWaalsContact O-N 3.12Å
368R93Very high93.5Very high41 Ų4138.4 Ų38.416%0.15521%0.206CC..G310 helixtrans-89.9-7.9-176.6-60.2-174.1-176.4-89.7-1.7113.5L172 P174 L364 E365 P366 L370 D371 L372L172-R368 PolarHBondContact O-NH1 2.94Å; P174-R368 HydrophobicContact CB-CG 4.25Å; L364-R368 HydrophobicContact CD1-CB 4Å; E365-R368 PolarHBondContact O-N 2.68Å; E365-R368 IonicContact OE2-NE 3.66Å; E365-R368 PolarHBondContact OE2-NE 2.6Å; E365-R368 IonicContact OE2-NH2 3.33Å; P366-R368 PolarHBondContact O-N 3.32Å; P366-R368 VanDerWaalsContact O-N 3.16Å; R368-L370 VanDerWaalsContact C-N 3.33Å; R368-L370 PolarHBondContact O-N 3.42Å; R368-D371 PolarHBondContact O-N 3.19Å; R368-D371 VanDerWaalsContact O-N 3.14Å; R368-L372 VanDerWaalsContact O-CB 3.31Å; R368-L372 WeakPolarHBondContact O-CB 3.31Å; R368-L372 PolarHBondContact O-N 2.89Å
369L94.3Very high93.5Very high2 Ų240.6 Ų40.61%0.0121%0.205CC..Hα-helixtrans-62.5-38.8-173.3-64.2-177.9000113.2F260 L264 L266 L295 L300 L364 P366 D371 L372 I373F260-L369 HydrophobicContact CE1-CD1 4.42Å; F260-L369 HydrophobicContact CZ-CD1 4.32Å; F260-L369 HydrophobicContact CZ-CD2 4.05Å; L264-L369 HydrophobicContact CD2-CD2 3.52Å; L266-L369 HydrophobicContact CD1-CD1 4.07Å; L295-L369 HydrophobicContact CD2-CD1 4.43Å; L300-L369 HydrophobicContact CD1-CB 4.35Å; L364-L369 HydrophobicContact CD2-CD2 3.99Å; L364-L369 HydrophobicContact CG-CD2 4.44Å; P366-L369 WeakPolarHBondContact O-CB 3.24Å; P366-L369 VanDerWaalsContact O-CG 3.24Å; P366-L369 WeakPolarHBondContact O-CG 3.43Å; P366-L369 PolarHBondContact O-N 3.07Å; L369-D371 VanDerWaalsContact C-N 3.29Å; L369-D371 PolarHBondContact O-N 3.01Å; L369-L372 PolarHBondContact O-N 3.15Å; L369-I373 PolarHBondContact O-N 3.38Å
370L92.6Very high93.5Very high26 Ų2639.1 Ų39.114%0.13620%0.203CC..Hα-helixtrans-73.9-20.8179.7-67.3175.2000113.2Y176 L274 L286 L295 Y299 L300 R368Y176-L370 HydrophobicContact CD2-CB 3.95Å; Y176-L370 HydrophobicContact CD2-CD1 3.6Å; Y176-L370 HydrophobicContact CD2-CG 4.43Å; Y176-L370 HydrophobicContact CE2-CB 4.35Å; Y176-L370 HydrophobicContact CE2-CD1 4.17Å; Y176-L370 HydrophobicContact CG-CD1 3.95Å; L274-L370 HydrophobicContact CD1-CD1 4.11Å; L274-L370 HydrophobicContact CD2-CD1 3.97Å; L286-L370 HydrophobicContact CD1-CD2 4.44Å; L295-L370 HydrophobicContact CD1-CD2 3.99Å; Y299-L370 HydrophobicContact CD1-CD2 3.91Å; Y299-L370 HydrophobicContact CE1-CD2 3.53Å; L300-L370 HydrophobicContact CD2-CD2 4.12Å; R368-L370 VanDerWaalsContact C-N 3.33Å; R368-L370 PolarHBondContact O-N 3.42Å
371D91.2Very high93.5Very high42 Ų4240.5 Ų40.523%0.22521%0.209CC..Hα-helixtrans-86.4-32.2173.8-66.6-39.2000111.8P174 S175 L313 R368 L369P174-D371 VanDerWaalsContact CA-OD2 3.31Å; P174-D371 WeakPolarHBondContact CA-OD2 3.49Å; S175-D371 WeakPolarHBondContact CB-OD1 3.44Å; S175-D371 PolarHBondContact N-OD2 2.69Å; S175-D371 PolarHBondContact OG-OD1 3.24Å; L313-D371 HydrophobicContact CD1-CB 4.49Å; L313-D371 WeakPolarHBondContact CD1-O 3.39Å; R368-D371 PolarHBondContact O-N 3.19Å; R368-D371 VanDerWaalsContact O-N 3.14Å; L369-D371 VanDerWaalsContact C-N 3.29Å; L369-D371 PolarHBondContact O-N 3.01Å
372L93.8Very high93.6Very high12 Ų1241 Ų416%0.06321%0.212CC..Hα-helixtrans-84.7-49.6-174.6-175.969000112.4F310 L313 L314 L354 L364 R368 L369F310-L372 HydrophobicContact CB-CD1 4.35Å; F310-L372 HydrophobicContact CD1-CD1 4.38Å; F310-L372 HydrophobicContact CD2-CD1 3.51Å; F310-L372 HydrophobicContact CD2-CD2 4.41Å; F310-L372 HydrophobicContact CD2-CG 3.61Å; F310-L372 WeakPolarHBondContact CD2-O 3.37Å; F310-L372 HydrophobicContact CE2-CD1 3.81Å; F310-L372 HydrophobicContact CE2-CD2 3.87Å; F310-L372 HydrophobicContact CE2-CG 3.53Å; F310-L372 HydrophobicContact CG-CD1 3.8Å; F310-L372 HydrophobicContact CG-CG 4.4Å; F310-L372 HydrophobicContact CZ-CD1 4.36Å; F310-L372 HydrophobicContact CZ-CD2 4.21Å; F310-L372 HydrophobicContact CZ-CG 4.28Å; F310-L372 WeakPolarHBondContact O-CD1 3.32Å; L313-L372 HydrophobicContact CB-CD1 3.79Å; L313-L372 HydrophobicContact CD1-CD1 4.34Å; L314-L372 HydrophobicContact CD2-CD1 4.24Å; L314-L372 HydrophobicContact CD2-CD2 3.8Å; L314-L372 HydrophobicContact CG-CD1 4.06Å; L314-L372 HydrophobicContact CG-CD2 4.41Å; L354-L372 HydrophobicContact CD2-CD2 4.41Å; L364-L372 HydrophobicContact CD1-CD2 4.18Å; L364-L372 HydrophobicContact CD2-CD2 3.44Å; L364-L372 VanDerWaalsContact CD2-CD2 3.44Å; L364-L372 HydrophobicContact CG-CD2 4.47Å; R368-L372 VanDerWaalsContact O-CB 3.31Å; R368-L372 WeakPolarHBondContact O-CB 3.31Å; R368-L372 PolarHBondContact O-N 2.89Å; L369-L372 PolarHBondContact O-N 3.15Å
373I94.9Very high93.9Very high4 Ų439.7 Ų39.72%0.02120%0.202CC..SBendtrans-105.1123.3-170.6-57.7169.7000109.2F260 L300 V302 F310 L354 L369F260-I373 HydrophobicContact CE2-CD1 3.38Å; F260-I373 HydrophobicContact CZ-CD1 3.75Å; L300-I373 HydrophobicContact CB-CB 4.48Å; L300-I373 HydrophobicContact CB-CG2 3.83Å; L300-I373 HydrophobicContact CD1-CD1 4.41Å; L300-I373 HydrophobicContact CD2-CB 4.15Å; L300-I373 HydrophobicContact CD2-CG2 4.31Å; V302-I373 HydrophobicContact CG1-CG2 4.48Å; F310-I373 HydrophobicContact CE2-CG1 4.18Å; L354-I373 HydrophobicContact CD1-CD1 4.43Å; L369-I373 PolarHBondContact O-N 3.38Å
374P93.4Very high94.2Very high58 Ų5834.6 Ų34.638%0.37718%0.178SC..  trans-67160.3-177.828.3-34.7000111.7D301 A304D301-P374 HydrophobicContact CB-CG 4.4Å; D301-P374 PolarHBondContact N-O 3.26Å; A304-P374 HydrophobicContact CB-CG 3.95Å
375E92.7Very high94.4Very high30 Ų3034 Ų3414%0.1418%0.175CC..BIsolated β-bridgetrans-72140.6173.2-175.3-176.4172.400111.9R249 R285 Y299 Q377R249-E375 IonicContact CZ-OE1 2.55Å; R249-E375 VanDerWaalsContact CZ-OE1 3.22Å; R249-E375 IonicContact NH1-OE1 2.7Å; R249-E375 PolarHBondContact NH1-OE1 2.71Å; R249-E375 IonicContact NH2-OE1 3.9Å; R249-E375 PolarHBondContact NH2-OE1 2.92Å; R285-E375 IonicContact CZ-OE1 2.81Å; R285-E375 IonicContact CZ-OE2 3.2Å; R285-E375 IonicContact NE-OE1 3.62Å; R285-E375 PolarHBondContact NE-OE1 3.47Å; R285-E375 IonicContact NE-OE2 3.64Å; R285-E375 IonicContact NH2-OE1 3.01Å; R285-E375 PolarHBondContact NH2-OE1 3.46Å; R285-E375 IonicContact NH2-OE2 3.88Å; R285-E375 PolarHBondContact NH2-OE2 2.91Å; Y299-E375 HydrophobicContact CD1-CG 4.38Å; Y299-E375 HydrophobicContact CD2-CG 4.17Å; Y299-E375 HydrophobicContact CE1-CB 4.21Å; Y299-E375 HydrophobicContact CE1-CG 4.17Å; Y299-E375 HydrophobicContact CE2-CG 3.98Å; Y299-E375 HydrophobicContact CG-CG 4.37Å; Y299-E375 CarbonylContact O-C 3.57Å; Y299-E375 WeakPolarHBondContact O-CA 2.82Å; Y299-E375 WeakPolarHBondContact O-CG 3.12Å; E375-Q377 PolarHBondContact O-N 3.05Å; E375-Q377 VanDerWaalsContact O-N 3.08Å; E375-Q377 PolarHBondContact O-NE2 2.89Å
376I93.8Very high94.6Very high1 Ų129.3 Ų29.31%0.00515%0.153CC..  trans-54.1113.4168.4-62.9177.1000109.8P250 Y299 L300 D301 L414P250-I376 HydrophobicContact CG-CG2 3.58Å; Y299-I376 PolarHBondContact O-N 3.48Å; L300-I376 WeakPolarHBondContact O-CG1 3.33Å; D301-I376 HydrophobicContact CB-CG1 3.89Å; I376-L414 HydrophobicContact CD1-CD2 4.45Å; I376-L414 HydrophobicContact CG1-CD2 4.37Å; I376-L414 HydrophobicContact CG2-CD2 4.04Å
377Q91.9Very high94.8Very high72 Ų7229.1 Ų29.134%0.33615%0.15SC..PPolyproline II helixtrans-79.9139.8175.4-60.7-57.7-57.400110.8E375E375-Q377 PolarHBondContact O-N 3.05Å; E375-Q377 VanDerWaalsContact O-N 3.08Å; E375-Q377 PolarHBondContact O-NE2 2.89Å
378P93.3Very high94.9Very high32 Ų3232.5 Ų32.521%0.20816%0.163CC..PPolyproline II helixtrans-65148.6172.330.6-36.7000110.8L247 I248 W434L247-P378 HydrophobicContact CB-CB 4.29Å; L247-P378 HydrophobicContact CD2-CB 4.21Å; L247-P378 HydrophobicContact CD2-CG 3.98Å; I248-P378 CarbonylContact O-C 3.58Å; I248-P378 WeakPolarHBondContact O-CA 3.39Å; P378-W434 HydrophobicContact CB-CH2 3.38Å; P378-W434 HydrophobicContact CB-CZ2 4.14Å; P378-W434 HydrophobicContact CB-CZ3 4.01Å; P378-W434 HydrophobicContact CG-CH2 3.59Å; P378-W434 HydrophobicContact CG-CZ2 4.01Å
379R94.9Very high95.1Very high118 Ų11833.9 Ų33.945%0.44518%0.176SC..EExtended strand (participates in β ladder)trans-102.9128.4174.8-164.865.2-179179.60.3110.7L247 I248 F381 C415 S594L247-R379 WeakPolarHBondContact CA-O 3.47Å; I248-R379 PolarHBondContact N-O 2.98Å; I248-R379 PolarHBondContact O-N 3.34Å; R379-F381 HydrophobicContact CB-CE2 3.93Å; R379-F381 HydrophobicContact CB-CZ 4.11Å; R379-F381 HydrophobicContact CG-CE1 4.23Å; R379-F381 HydrophobicContact CG-CE2 3.91Å; R379-F381 HydrophobicContact CG-CZ 3.65Å; R379-C415 HydrophobicContact CB-CB 3.84Å; R379-C415 HydrophobicContact CG-CB 4.36Å; R379-S594 PolarHBondContact NH2-O 3.4Å
380S94.3Very high95.2Very high64 Ų6435.6 Ų35.645%0.44819%0.185SC..EExtended strand (participates in β ladder)trans-81.6137.1174.853.90000112V246V246-S380 CarbonylContact O-C 3.49Å; V246-S380 WeakPolarHBondContact O-CA 3.19Å
381F96.8Very high95.3Very high29 Ų2938.8 Ų38.813%0.12721%0.207CC..EExtended strand (participates in β ladder)trans-133.8135.2169.5-59.1-80.1000110.6V245 V246 I248 R379 I383 V396 L398 L419V245-F381 WeakPolarHBondContact CA-O 3.37Å; V245-F381 WeakPolarHBondContact CG1-O 3.43Å; V246-F381 HydrophobicContact CG1-CB 3.96Å; V246-F381 WeakPolarHBondContact CG1-O 3.1Å; V246-F381 PolarHBondContact N-O 2.94Å; V246-F381 PolarHBondContact O-N 3.23Å; I248-F381 HydrophobicContact CB-CD2 4.49Å; I248-F381 HydrophobicContact CB-CE2 4.29Å; I248-F381 HydrophobicContact CD1-CD2 3.87Å; I248-F381 HydrophobicContact CD1-CE2 4.06Å; I248-F381 HydrophobicContact CG1-CD2 4.26Å; I248-F381 HydrophobicContact CG1-CE2 4.47Å; R379-F381 HydrophobicContact CB-CE2 3.93Å; R379-F381 HydrophobicContact CB-CZ 4.11Å; R379-F381 HydrophobicContact CG-CE1 4.23Å; R379-F381 HydrophobicContact CG-CE2 3.91Å; R379-F381 HydrophobicContact CG-CZ 3.65Å; F381-I383 PolarHBondContact O-N 2.85Å; F381-V396 HydrophobicContact CB-CG1 3.61Å; F381-V396 HydrophobicContact CB-CG2 4.37Å; F381-V396 HydrophobicContact CD1-CG1 4.02Å; F381-V396 HydrophobicContact CD2-CG1 4.25Å; F381-V396 HydrophobicContact CG-CG1 3.7Å; F381-L398 HydrophobicContact CD1-CD1 4.2Å; F381-L398 HydrophobicContact CE1-CD1 3.3Å; F381-L398 HydrophobicContact CZ-CD1 3.64Å; F381-L419 HydrophobicContact CE2-CD1 4.17Å; F381-L419 HydrophobicContact CZ-CD1 4.37Å
382S97.1Very high95.5Very high13 Ų1339.3 Ų39.39%0.09121%0.214CC..EExtended strand (participates in β ladder)trans-62.9130.2170.7-48.50000109.4A384 E591S382-A384 PolarHBondContact O-N 2.98Å; S382-E591 PolarHBondContact OG-OE1 3.14Å
383I98.2Very high95.7Very high1 Ų143 Ų431%0.00523%0.227CC..BIsolated β-bridgetrans-69.1132.9-178.8-62.1170.4000109.1F240 D244 V246 F381 L394 V435 A464F240-I383 HydrophobicContact CB-CD1 3.96Å; F240-I383 HydrophobicContact CD1-CD1 4.2Å; F240-I383 HydrophobicContact CD2-CD1 3.89Å; F240-I383 HydrophobicContact CD2-CG2 4.01Å; F240-I383 HydrophobicContact CE2-CD1 4.43Å; F240-I383 HydrophobicContact CE2-CG2 3.59Å; F240-I383 HydrophobicContact CG-CD1 3.77Å; F240-I383 HydrophobicContact CZ-CG2 4Å; D244-I383 HydrophobicContact CB-CD1 4.2Å; D244-I383 WeakPolarHBondContact O-CG1 3.5Å; D244-I383 PolarHBondContact O-N 3.16Å; D244-I383 VanDerWaalsContact O-N 3.12Å; V246-I383 HydrophobicContact CB-CD1 4.4Å; V246-I383 HydrophobicContact CB-CG1 4.03Å; V246-I383 HydrophobicContact CG1-CG1 4.28Å; F381-I383 PolarHBondContact O-N 2.85Å; I383-L394 HydrophobicContact CD1-CD1 3.99Å; I383-L394 HydrophobicContact CD1-CG 4.46Å; I383-L394 HydrophobicContact CG1-CD1 4.3Å; I383-L394 HydrophobicContact CG1-CD2 4.49Å; I383-L394 HydrophobicContact CG1-CG 4.36Å; I383-L394 HydrophobicContact CG2-CG 4.13Å; I383-V435 HydrophobicContact CD1-CG1 3.98Å; I383-V435 HydrophobicContact CD1-CG2 3.99Å; I383-A464 WeakPolarHBondContact O-CB 3.18Å
384A98.1Very high95.8Very high0 Ų042.8 Ų42.80%023%0.226CC..  trans-101.43.8-173.600000114.4S382 Q395 L397 A460 R463S382-A384 PolarHBondContact O-N 2.98Å; A384-Q395 HydrophobicContact CB-CB 4.46Å; A384-Q395 WeakPolarHBondContact CB-O 3.49Å; A384-Q395 PolarHBondContact N-O 3.13Å; A384-L397 HydrophobicContact CB-CB 4.36Å; A384-A460 WeakPolarHBondContact CA-O 3.37Å; A384-A460 HydrophobicContact CB-CB 4.02Å; A384-R463 PolarHBondContact O-NH1 2.91Å
385S98.1Very high96.1Very high0 Ų040.7 Ų40.70%021%0.211CC..SBendtrans-128.2164.1179.156.30000112.3F240 R393 Q395 A464F240-S385 WeakPolarHBondContact CE2-O 3.39Å; S385-R393 PolarHBondContact OG-O 3.5Å; S385-Q395 PolarHBondContact OG-N 3.4Å; S385-A464 WeakPolarHBondContact O-CB 3.18Å
386S97.5Very high96.3Very high1 Ų139.3 Ų39.31%0.00721%0.205CC..  trans-111.9136.7169.1179.10000111.3K388 V389 L390 E468S386-K388 PolarHBondContact O-N 2.89Å; S386-K388 PolarHBondContact OG-N 2.81Å; S386-V389 PolarHBondContact O-N 3.08Å; S386-V389 VanDerWaalsContact O-N 3.11Å; S386-L390 PolarHBondContact O-N 2.83Å; S386-E468 WeakPolarHBondContact OG-CB 3.4Å
387L96.9Very high96.6Very high30 Ų3039.7 Ų39.716%0.15721%0.207CC..THydrogen-bonded Turntrans-59.1-23.7171.7-73.2-179.9000113.2I233 F240 V389I233-L387 HydrophobicContact CD1-CD2 4.11Å; F240-L387 HydrophobicContact CD1-CD1 3.88Å; F240-L387 HydrophobicContact CD1-CD2 4.12Å; F240-L387 HydrophobicContact CD1-CG 3.91Å; F240-L387 HydrophobicContact CD2-CD1 4.46Å; F240-L387 HydrophobicContact CD2-CG 4.1Å; F240-L387 HydrophobicContact CE1-CD1 4.05Å; F240-L387 HydrophobicContact CE1-CD2 3.43Å; F240-L387 VanDerWaalsContact CE1-CD2 3.43Å; F240-L387 HydrophobicContact CE1-CG 3.6Å; F240-L387 HydrophobicContact CE2-CD2 4.3Å; F240-L387 HydrophobicContact CE2-CG 3.77Å; F240-L387 HydrophobicContact CG-CD1 4.1Å; F240-L387 HydrophobicContact CG-CG 4.15Å; F240-L387 HydrophobicContact CZ-CD1 4.4Å; F240-L387 HydrophobicContact CZ-CD2 3.53Å; F240-L387 HydrophobicContact CZ-CG 3.52Å; F240-L387 WeakPolarHBondContact O-CD1 3.5Å; L387-V389 VanDerWaalsContact C-N 3.31Å
388K95.8Very high96.8Very high107 Ų10736.4 Ų36.447%0.46519%0.191SC..THydrogen-bonded Turntrans-73.2-24.6178.4-57.1-163.5-172.9-178.10113.2S386 E468 S471 E472S386-K388 PolarHBondContact O-N 2.89Å; S386-K388 PolarHBondContact OG-N 2.81Å; K388-E468 HydrophobicContact CD-CG 3.76Å; K388-E468 WeakPolarHBondContact CE-OE1 3.43Å; K388-E468 HydrophobicContact CG-CG 4.21Å; K388-E468 IonicContact NZ-OE1 3.54Å; K388-S471 WeakPolarHBondContact CB-OG 3.33Å; K388-S471 WeakPolarHBondContact CD-OG 3.45Å; K388-E472 HydrophobicContact CD-CG 4.44Å; K388-E472 IonicContact NZ-OE1 3.95Å; K388-E472 PolarHBondContact NZ-OE1 3.3Å
389V96.6Very high97Very high70 Ų7035.8 Ų35.842%0.42419%0.189SC..THydrogen-bonded Turntrans-103.5-38.2179.9178.10000111S386 L387 P391 Q467S386-V389 PolarHBondContact O-N 3.08Å; S386-V389 VanDerWaalsContact O-N 3.11Å; L387-V389 VanDerWaalsContact C-N 3.31Å; V389-P391 WeakPolarHBondContact O-CD 3.45Å; V389-Q467 HydrophobicContact CB-CB 4.28Å; V389-Q467 HydrophobicContact CG2-CB 3.74Å; V389-Q467 HydrophobicContact CG2-CG 4.34Å; V389-Q467 WeakPolarHBondContact CG2-O 3.19Å
390L96.7Very high97.1Very high38 Ų3831 Ų3120%0.19917%0.173CC..SBendtrans-123.582.3178.7-61.5176000109.9S386 S392 R393 Q395S386-L390 PolarHBondContact O-N 2.83Å; L390-S392 PolarHBondContact O-N 3.18Å; L390-R393 HydrophobicContact CB-CB 4.03Å; L390-R393 PolarHBondContact O-N 2.85Å; L390-Q395 HydrophobicContact CD1-CG 4.38Å
391P95.8Very high97.1Very high92 Ų9231.2 Ų31.260%0.59717%0.171SC*.THydrogen-bonded Turntrans-56.5138176.7-24.634.5000111.3V389 R393V389-P391 WeakPolarHBondContact O-CD 3.45Å; P391-R393 PolarHBondContact O-N 3.31Å
392S94.9Very high96.9Very high54 Ų5438.4 Ų38.438%0.37820%0.198SC..THydrogen-bonded Turntrans56.319.8179.3-51.40000115.6I233 S234 L390I233-S392 WeakPolarHBondContact CG1-O 3.35Å; I233-S392 PolarHBondContact N-O 3.49Å; S234-S392 WeakPolarHBondContact OG-CB 3.21Å; L390-S392 PolarHBondContact O-N 3.18Å
393R97.4Very high96.6Very high88 Ų8842 Ų4233%0.33221%0.21SC..EExtended strand (participates in β ladder)trans-125.6138.9176.7-66.617774.1160.99.6112.1L212 D230 F231 S385 L390 P391L212-R393 HydrophobicContact CD1-CG 4.22Å; D230-R393 IonicContact OD1-CZ 3.59Å; D230-R393 IonicContact OD1-NE 2.95Å; D230-R393 PolarHBondContact OD1-NE 2.83Å; D230-R393 IonicContact OD1-NH2 3.39Å; D230-R393 PolarHBondContact OD1-NH2 3.34Å; D230-R393 IonicContact OD2-CZ 3.23Å; D230-R393 VanDerWaalsContact OD2-CZ 3.23Å; D230-R393 IonicContact OD2-NE 3.28Å; D230-R393 PolarHBondContact OD2-NE 3.2Å; D230-R393 IonicContact OD2-NH2 2.61Å; D230-R393 PolarHBondContact OD2-NH2 3.15Å; F231-R393 WeakPolarHBondContact O-CA 3.46Å; S385-R393 PolarHBondContact OG-O 3.5Å; L390-R393 HydrophobicContact CB-CB 4.03Å; L390-R393 PolarHBondContact O-N 2.85Å; P391-R393 PolarHBondContact O-N 3.31Å
394L98.1Very high96.1Very high0 Ų052.2 Ų52.20%025%0.248CC..EExtended strand (participates in β ladder)trans-123121.8178.7-171.4156.9000109F231 I233 F240 V246 I383 V396 V435F231-L394 HydrophobicContact CB-CB 4.49Å; F231-L394 HydrophobicContact CD2-CD2 4.17Å; F231-L394 WeakPolarHBondContact CD2-O 3.41Å; F231-L394 PolarHBondContact N-O 3.38Å; F231-L394 PolarHBondContact O-N 3.48Å; I233-L394 HydrophobicContact CG2-CB 4.12Å; F240-L394 HydrophobicContact CD1-CD1 4.22Å; F240-L394 HydrophobicContact CE1-CB 4.11Å; F240-L394 HydrophobicContact CE1-CD1 3.94Å; F240-L394 HydrophobicContact CE1-CG 4.12Å; F240-L394 HydrophobicContact CZ-CB 4.36Å; F240-L394 HydrophobicContact CZ-CG 4.35Å; V246-L394 HydrophobicContact CB-CD1 4.07Å; V246-L394 HydrophobicContact CB-CD2 4.05Å; V246-L394 HydrophobicContact CG1-CD2 3.94Å; V246-L394 HydrophobicContact CG2-CD1 3.95Å; V246-L394 HydrophobicContact CG2-CD2 4.1Å; I383-L394 HydrophobicContact CD1-CD1 3.99Å; I383-L394 HydrophobicContact CD1-CG 4.46Å; I383-L394 HydrophobicContact CG1-CD1 4.3Å; I383-L394 HydrophobicContact CG1-CD2 4.49Å; I383-L394 HydrophobicContact CG1-CG 4.36Å; I383-L394 HydrophobicContact CG2-CG 4.13Å; L394-V396 HydrophobicContact CD2-CG2 3.75Å; L394-V435 HydrophobicContact CD1-CG2 3.76Å
395Q98.6Very high95.5Very high15 Ų1553.8 Ų53.87%0.0726%0.258CS..EExtended strand (participates in β ladder)trans-108.2144.2177.6-65.3-177-25.300112.1L228 L229 D230 A384 S385 L390L228-Q395 HydrophobicContact CD1-CB 4.15Å; L229-Q395 CarbonylContact O-C 3.46Å; L229-Q395 WeakPolarHBondContact O-CA 3.35Å; D230-Q395 HydrophobicContact CB-CG 4.24Å; D230-Q395 PolarHBondContact OD2-NE2 3.17Å; A384-Q395 HydrophobicContact CB-CB 4.46Å; A384-Q395 WeakPolarHBondContact CB-O 3.49Å; A384-Q395 PolarHBondContact N-O 3.13Å; S385-Q395 PolarHBondContact OG-N 3.4Å; L390-Q395 HydrophobicContact CD1-CG 4.38Å
396V98.5Very high94.7Very high0 Ų063 Ų630%030%0.298CS..EExtended strand (participates in β ladder)trans-127.5129.4177.3175.90000109.8L228 L229 F231 V246 I248 F381 L394 L398L228-V396 WeakPolarHBondContact CA-O 3.39Å; L229-V396 HydrophobicContact CB-CB 4.34Å; L229-V396 PolarHBondContact N-O 3.05Å; L229-V396 PolarHBondContact O-N 3.18Å; F231-V396 HydrophobicContact CE2-CB 4.47Å; F231-V396 HydrophobicContact CE2-CG2 4.11Å; V246-V396 HydrophobicContact CG1-CG2 3.57Å; I248-V396 HydrophobicContact CD1-CG2 4.46Å; F381-V396 HydrophobicContact CB-CG1 3.61Å; F381-V396 HydrophobicContact CB-CG2 4.37Å; F381-V396 HydrophobicContact CD1-CG1 4.02Å; F381-V396 HydrophobicContact CD2-CG1 4.25Å; F381-V396 HydrophobicContact CG-CG1 3.7Å; L394-V396 HydrophobicContact CD2-CG2 3.75Å; V396-L398 HydrophobicContact CG1-CB 4.4Å
397L98.3Very high93.8Very high9 Ų965.1 Ų65.15%0.04731%0.309CS..EExtended strand (participates in β ladder)trans-95.3106.3170.1-176.371000109.4V217 V226 R227 A384 T457 V459 A460 Y491 F492V217-L397 HydrophobicContact CG2-CD1 3.78Å; V226-L397 HydrophobicContact CG1-CD1 3.74Å; V226-L397 HydrophobicContact CG1-CG 4.1Å; R227-L397 CarbonylContact O-C 3.56Å; R227-L397 WeakPolarHBondContact O-CA 3.24Å; A384-L397 HydrophobicContact CB-CB 4.36Å; L397-T457 HydrophobicContact CD2-CG2 4.22Å; L397-T457 HydrophobicContact CG-CG2 4.17Å; L397-V459 HydrophobicContact CD2-CG1 3.92Å; L397-A460 HydrophobicContact CB-CB 4.12Å; L397-Y491 HydrophobicContact CD2-CD2 3.97Å; L397-Y491 HydrophobicContact CD2-CE2 4.43Å; L397-Y491 HydrophobicContact CD2-CG 4.47Å; L397-F492 HydrophobicContact CD1-CE2 4.42Å; L397-F492 HydrophobicContact CD1-CZ 4.08Å; L397-F492 HydrophobicContact CD2-CE2 4Å; L397-F492 HydrophobicContact CD2-CZ 4.34Å
398L97.2Very high92.9Very high3 Ų372.8 Ų72.82%0.01634%0.343CS..EExtended strand (participates in β ladder)trans-110.8124.1-170.8172.767.7000111V226 R227 L229 F381 V396 L419V226-L398 CarbonylContact C-O 3.6Å; V226-L398 VanDerWaalsContact CA-O 3.25Å; V226-L398 WeakPolarHBondContact CA-O 3.41Å; V226-L398 WeakPolarHBondContact CG1-O 3.35Å; R227-L398 PolarHBondContact N-O 2.99Å; R227-L398 PolarHBondContact O-N 3.17Å; L229-L398 HydrophobicContact CD1-CB 4.37Å; L229-L398 HydrophobicContact CD1-CD2 3.92Å; F381-L398 HydrophobicContact CD1-CD1 4.2Å; F381-L398 HydrophobicContact CE1-CD1 3.3Å; F381-L398 HydrophobicContact CZ-CD1 3.64Å; V396-L398 HydrophobicContact CG1-CB 4.4Å; L398-L419 HydrophobicContact CD2-CB 3.73Å; L398-L419 HydrophobicContact CD2-CD1 3.97Å
399A96.9Very high92.4Very high20 Ų2073.4 Ų73.417%0.16534%0.343CS..EExtended strand (participates in β ladder)trans-89.4123.6163.900000110.4Q224 V226 V401 T457Q224-A399 HydrophobicContact CG-CB 4.5Å; V226-A399 HydrophobicContact CG2-CB 4.03Å; A399-V401 PolarHBondContact O-N 3.07Å; A399-T457 HydrophobicContact CB-CG2 3.85Å
400V96.9Very high92Very high18 Ų1871.7 Ų71.711%0.10933%0.333CS..  trans-71.3122.8179.2-175.20000109.6D225 R227 R402 A420D225-V400 HydrophobicContact CB-CB 4.09Å; D225-V400 HydrophobicContact CB-CG2 3.97Å; D225-V400 PolarHBondContact O-N 2.94Å; R227-V400 HydrophobicContact CG-CG2 4.37Å; V400-R402 PolarHBondContact O-N 3.12Å; V400-A420 HydrophobicContact CG1-CB 4.26Å; V400-A420 HydrophobicContact CG2-CB 3.74Å
401V94.4Very high91.8Very high67 Ų6770.6 Ų70.641%0.40633%0.327SS..  trans-87.2109-178179.80000109.3A399 Y403 T412 G413 S416 N417A399-V401 PolarHBondContact O-N 3.07Å; V401-Y403 HydrophobicContact CG1-CD1 4.07Å; V401-Y403 HydrophobicContact CG1-CE1 4.15Å; V401-T412 WeakPolarHBondContact O-CA 3.47Å; V401-G413 PolarHBondContact O-N 3.31Å; V401-S416 WeakPolarHBondContact CB-OG 3.41Å; V401-S416 PolarHBondContact N-OG 2.75Å; V401-N417 PolarHBondContact O-ND2 2.9Å
402R92.9Very high91.7Very high180 Ų18070 Ų7068%0.67932%0.321SS*.EExtended strand (participates in β ladder)trans-142.4126171.6-171.2176.2-176-176.42.6109.8V400 P410 R411 T412V400-R402 PolarHBondContact O-N 3.12Å; R402-P410 HydrophobicContact CG-CB 4.34Å; R402-R411 WeakPolarHBondContact CA-O 3.29Å; R402-T412 HydrophobicContact CG-CG2 4.21Å
403Y89.9Confident91.6Very high89 Ų8968.4 Ų68.435%0.34931%0.314SS..EExtended strand (participates in β ladder)trans-145.5161.2179.761.9-80.8000111.1R347 V401 T405 P410 R411R347-Y403 HydrophobicContact CG-CE2 4.37Å; R347-Y403 WeakPolarHBondContact CG-OH 3.19Å; R347-Y403 PolarHBondContact NE-OH 2.74Å; V401-Y403 HydrophobicContact CG1-CD1 4.07Å; V401-Y403 HydrophobicContact CG1-CE1 4.15Å; Y403-T405 HydrophobicContact CD2-CG2 3.8Å; Y403-T405 HydrophobicContact CE2-CG2 3.49Å; Y403-T405 VanDerWaalsContact CE2-CG2 3.49Å; Y403-P410 CarbonylContact O-C 3.58Å; Y403-P410 WeakPolarHBondContact O-CA 3.32Å; Y403-R411 HydrophobicContact CD1-CB 4.01Å; Y403-R411 HydrophobicContact CD2-CB 4.01Å; Y403-R411 HydrophobicContact CD2-CG 4.28Å; Y403-R411 HydrophobicContact CE1-CB 3.57Å; Y403-R411 HydrophobicContact CE2-CB 3.59Å; Y403-R411 HydrophobicContact CE2-CG 3.7Å; Y403-R411 HydrophobicContact CG-CB 4.2Å; Y403-R411 PolarHBondContact N-O 2.88Å; Y403-R411 PolarHBondContact O-N 2.7Å
404R87.4Confident91.5Very high216 Ų21665.9 Ų65.982%0.81531%0.307SS*.  trans-101.8140.5175.3-68.1-177.5176.4172.7-2109.2
405T85.7Confident91.5Very high32 Ų3266.4 Ų66.420%0.19631%0.31CS..  trans-113.7-168.9169.262.40000108.7P346 Y403 L407 R411P346-T405 WeakPolarHBondContact O-CB 3.22Å; P346-T405 WeakPolarHBondContact O-CG2 3.34Å; P346-T405 PolarHBondContact O-OG1 3.31Å; Y403-T405 HydrophobicContact CD2-CG2 3.8Å; Y403-T405 HydrophobicContact CE2-CG2 3.49Å; Y403-T405 VanDerWaalsContact CE2-CG2 3.49Å; T405-L407 PolarHBondContact O-N 3Å; T405-L407 VanDerWaalsContact O-N 3.16Å; T405-L407 PolarHBondContact OG1-N 3.37Å; T405-R411 HydrophobicContact CG2-CG 3.57Å
406K81.5Confident91.4Very high194 Ų19466 Ų6684%0.84331%0.309SS*.SBendtrans-61.9-14.9171.7-64.9-174.7178.8-176.60112.8
407L80.1Confident91.3Very high45 Ų4568 Ų6824%0.23632%0.32CS..SBendtrans-80.9146.7173.5-62.9177000111.5P346 T405 R409P346-L407 HydrophobicContact CB-CD1 3.75Å; P346-L407 HydrophobicContact CB-CD2 4.39Å; P346-L407 HydrophobicContact CB-CG 3.67Å; T405-L407 PolarHBondContact O-N 3Å; T405-L407 VanDerWaalsContact O-N 3.16Å; T405-L407 PolarHBondContact OG1-N 3.37Å; L407-R409 PolarHBondContact O-N 3.02Å
408H76.9Confident91.3Very high191 Ų19168.8 Ų68.888%0.88432%0.322SS*.SBendtrans-64-40.6178.9-173.3-93000112.7P410H408-P410 WeakPolarHBondContact O-CD 3.38Å
409R85.2Confident91.3Very high121 Ų12168.7 Ų68.746%0.45732%0.321SS..SBendtrans-73.6119.3178.1-172.6177.8-175.5-170.61110D256 L407 R411D256-R409 IonicContact OD1-NH2 2.6Å; L407-R409 PolarHBondContact O-N 3.02Å; R409-R411 PolarHBondContact O-NE 2.78Å; R409-R411 PolarHBondContact O-NH2 3.34Å
410P88.8Confident91.3Very high34 Ų3468.3 Ų68.322%0.22132%0.319CS..PPolyproline II helixtrans-57.5142.7175.7-22.633.2000111.4R402 Y403 H408R402-P410 HydrophobicContact CG-CB 4.34Å; Y403-P410 CarbonylContact O-C 3.58Å; Y403-P410 WeakPolarHBondContact O-CA 3.32Å; H408-P410 WeakPolarHBondContact O-CD 3.38Å
411R92.3Very high91.2Very high15 Ų1571.7 Ų71.76%0.05734%0.343CS..EExtended strand (participates in β ladder)trans-82.5138.8173.8-58.4-62.2105.3178.73.1109.8R347 E352 R402 Y403 T405 R409R347-R411 HydrophobicContact CB-CG 4.3Å; R347-R411 WeakPolarHBondContact O-CD 3.41Å; R347-R411 PolarHBondContact O-NH1 2.73Å; E352-R411 VanDerWaalsContact CD-NH1 3.26Å; E352-R411 IonicContact OE1-CZ 2.71Å; E352-R411 IonicContact OE1-NH1 3.75Å; E352-R411 PolarHBondContact OE1-NH1 3.3Å; E352-R411 IonicContact OE1-NH2 2.68Å; E352-R411 PolarHBondContact OE1-NH2 2.72Å; E352-R411 IonicContact OE2-CZ 2.76Å; E352-R411 IonicContact OE2-NH1 3.55Å; E352-R411 PolarHBondContact OE2-NH1 2.65Å; E352-R411 IonicContact OE2-NH2 2.86Å; R402-R411 WeakPolarHBondContact CA-O 3.29Å; Y403-R411 HydrophobicContact CD1-CB 4.01Å; Y403-R411 HydrophobicContact CD2-CB 4.01Å; Y403-R411 HydrophobicContact CD2-CG 4.28Å; Y403-R411 HydrophobicContact CE1-CB 3.57Å; Y403-R411 HydrophobicContact CE2-CB 3.59Å; Y403-R411 HydrophobicContact CE2-CG 3.7Å; Y403-R411 HydrophobicContact CG-CB 4.2Å; Y403-R411 PolarHBondContact N-O 2.88Å; Y403-R411 PolarHBondContact O-N 2.7Å; T405-R411 HydrophobicContact CG2-CG 3.57Å; R409-R411 PolarHBondContact O-NE 2.78Å; R409-R411 PolarHBondContact O-NH2 3.34Å
412T93.4Very high91.3Very high78 Ų7870.2 Ų70.248%0.47933%0.332SS..EExtended strand (participates in β ladder)trans-127.7137.7-177.944.50000109.7V401 R402 N417V401-T412 WeakPolarHBondContact O-CA 3.47Å; R402-T412 HydrophobicContact CG-CG2 4.21Å; T412-N417 WeakPolarHBondContact CB-ND2 3.47Å
413G93.5Very high91.4Very high22 Ų2264.1 Ų64.123%0.22731%0.314CS..  trans-76.7126.717100000110.7V401 S416 N417V401-G413 PolarHBondContact O-N 3.31Å; G413-S416 PolarHBondContact O-N 3.17Å; G413-S416 PolarHBondContact O-OG 3.38Å; G413-S416 VanDerWaalsContact O-OG 3.12Å; G413-N417 PolarHBondContact N-ND2 3.28Å; G413-N417 VanDerWaalsContact N-ND2 3.16Å; G413-N417 WeakPolarHBondContact O-CB 3.16Å; G413-N417 PolarHBondContact O-N 3.02Å; G413-N417 PolarHBondContact O-ND2 3.27Å
414L95.6Very high91.7Very high35 Ų3561.3 Ų61.318%0.18331%0.306CS..Hα-helixtrans-47.1-65.7-176.5179.562000112.2P250 Q251 N252 I376 S416 N417 W418P250-L414 HydrophobicContact CB-CD2 4.46Å; P250-L414 HydrophobicContact CB-CG 4.12Å; P250-L414 HydrophobicContact CG-CD2 3.89Å; P250-L414 HydrophobicContact CG-CG 4.03Å; Q251-L414 WeakPolarHBondContact O-CD1 3.18Å; N252-L414 WeakPolarHBondContact OD1-CD1 3.49Å; I376-L414 HydrophobicContact CD1-CD2 4.45Å; I376-L414 HydrophobicContact CG1-CD2 4.37Å; I376-L414 HydrophobicContact CG2-CD2 4.04Å; L414-S416 PolarHBondContact O-N 3.22Å; L414-N417 PolarHBondContact O-N 2.91Å; L414-W418 VanDerWaalsContact O-CB 3.26Å; L414-W418 WeakPolarHBondContact O-CB 3.32Å; L414-W418 PolarHBondContact O-N 3.09Å
415C97.3Very high92Very high10 Ų1059.8 Ų59.87%0.06831%0.308CS..Hα-helixtrans-61.7-45-176.6-173.60000113.5P250 R379 N417 W418 L419P250-C415 HydrophobicContact CB-CB 3.68Å; P250-C415 HydrophobicContact CG-CB 3.87Å; R379-C415 HydrophobicContact CB-CB 3.84Å; R379-C415 HydrophobicContact CG-CB 4.36Å; C415-N417 PolarHBondContact O-N 3.33Å; C415-W418 PolarHBondContact O-N 3.38Å; C415-L419 WeakPolarHBondContact O-CB 3.23Å; C415-L419 WeakPolarHBondContact O-CG 3.39Å; C415-L419 PolarHBondContact O-N 2.91Å
416S97.1Very high92.4Very high8 Ų868.8 Ų68.86%0.05634%0.339CS..Hα-helixtrans-68.3-34.5-175.865.90000113.6V401 G413 L414 A420V401-S416 WeakPolarHBondContact CB-OG 3.41Å; V401-S416 PolarHBondContact N-OG 2.75Å; G413-S416 PolarHBondContact O-N 3.17Å; G413-S416 PolarHBondContact O-OG 3.38Å; G413-S416 VanDerWaalsContact O-OG 3.12Å; L414-S416 PolarHBondContact O-N 3.22Å; S416-A420 VanDerWaalsContact O-CB 3.22Å; S416-A420 WeakPolarHBondContact O-CB 3.49Å; S416-A420 PolarHBondContact O-N 3.06Å; S416-A420 VanDerWaalsContact O-N 3.16Å
417N96.5Very high92.9Very high42 Ų4261.5 Ų61.523%0.22532%0.319CS..Hα-helixtrans-82-36.9178.5-74.6-95000111.1V401 T412 G413 L414 C415 A420 S421V401-N417 PolarHBondContact O-ND2 2.9Å; T412-N417 WeakPolarHBondContact CB-ND2 3.47Å; G413-N417 PolarHBondContact N-ND2 3.28Å; G413-N417 VanDerWaalsContact N-ND2 3.16Å; G413-N417 WeakPolarHBondContact O-CB 3.16Å; G413-N417 PolarHBondContact O-N 3.02Å; G413-N417 PolarHBondContact O-ND2 3.27Å; L414-N417 PolarHBondContact O-N 2.91Å; C415-N417 PolarHBondContact O-N 3.33Å; N417-A420 CarbonylContact O-C 3.55Å; N417-A420 PolarHBondContact O-N 3.22Å; N417-S421 PolarHBondContact O-N 2.92Å; N417-S421 PolarHBondContact O-OG 2.76Å
418W97.3Very high93.6Very high25 Ų2566.4 Ų66.410%0.09534%0.34CS..Hα-helixtrans-56.9-53.6170.7172.768.9000110.7I248 R249 P250 Q251 L414 C415 A420 S421 L422 V431I248-W418 HydrophobicContact CG2-CZ3 3.73Å; R249-W418 WeakPolarHBondContact O-CH2 3.38Å; R249-W418 WeakPolarHBondContact O-CZ3 3.48Å; P250-W418 HydrophobicContact CB-CD2 4.33Å; P250-W418 HydrophobicContact CB-CE3 3.77Å; P250-W418 HydrophobicContact CB-CZ3 4.26Å; Q251-W418 HydrophobicContact CB-CZ2 4.46Å; Q251-W418 HydrophobicContact CG-CZ2 4.11Å; L414-W418 VanDerWaalsContact O-CB 3.26Å; L414-W418 WeakPolarHBondContact O-CB 3.32Å; L414-W418 PolarHBondContact O-N 3.09Å; C415-W418 PolarHBondContact O-N 3.38Å; W418-A420 PolarHBondContact O-N 3.27Å; W418-S421 PolarHBondContact O-N 3.36Å; W418-S421 PolarHBondContact O-OG 3.01Å; W418-L422 HydrophobicContact CD2-CD1 4.41Å; W418-L422 HydrophobicContact CZ2-CD1 4.16Å; W418-L422 WeakPolarHBondContact O-CG 3.35Å; W418-L422 PolarHBondContact O-N 3.08Å; W418-V431 HydrophobicContact CH2-CB 4.35Å; W418-V431 HydrophobicContact CH2-CG1 3.87Å; W418-V431 HydrophobicContact CH2-CG2 4.11Å; W418-V431 HydrophobicContact CZ3-CG1 4.06Å
419L97.8Very high94.5Very high0 Ų058.2 Ų58.20%030%0.304CS..Hα-helixtrans-60.6-32.8176.7-70.5172.1000113M211 N214 L229 F231 I248 F381 L398 C415 L422 V431M211-L419 HydrophobicContact CE-CD2 4.06Å; N214-L419 PolarHBondContact ND2-O 2.81Å; L229-L419 HydrophobicContact CD1-CB 3.93Å; L229-L419 HydrophobicContact CD1-CD1 3.83Å; L229-L419 HydrophobicContact CD1-CD2 4.22Å; L229-L419 HydrophobicContact CD1-CG 4.21Å; F231-L419 HydrophobicContact CZ-CD2 4.39Å; I248-L419 HydrophobicContact CD1-CD1 4.01Å; I248-L419 HydrophobicContact CG2-CD1 4.32Å; I248-L419 HydrophobicContact CG2-CD2 4.29Å; F381-L419 HydrophobicContact CE2-CD1 4.17Å; F381-L419 HydrophobicContact CZ-CD1 4.37Å; L398-L419 HydrophobicContact CD2-CB 3.73Å; L398-L419 HydrophobicContact CD2-CD1 3.97Å; C415-L419 WeakPolarHBondContact O-CB 3.23Å; C415-L419 WeakPolarHBondContact O-CG 3.39Å; C415-L419 PolarHBondContact O-N 2.91Å; L419-L422 HydrophobicContact CD2-CD1 4.17Å; L419-V431 HydrophobicContact CD2-CG1 4.09Å; L419-V431 HydrophobicContact CD2-CG2 4.2Å
420A96.7Very high95Very high13 Ų1356.3 Ų56.311%0.10730%0.302CS..Hα-helixtrans-76.1-20.3176.800000113.7R227 V400 S416 N417 W418R227-A420 VanDerWaalsContact CZ-O 3.24Å; R227-A420 PolarHBondContact NH1-O 2.62Å; R227-A420 PolarHBondContact NH2-O 2.87Å; V400-A420 HydrophobicContact CG1-CB 4.26Å; V400-A420 HydrophobicContact CG2-CB 3.74Å; S416-A420 VanDerWaalsContact O-CB 3.22Å; S416-A420 WeakPolarHBondContact O-CB 3.49Å; S416-A420 PolarHBondContact O-N 3.06Å; S416-A420 VanDerWaalsContact O-N 3.16Å; N417-A420 CarbonylContact O-C 3.55Å; N417-A420 PolarHBondContact O-N 3.22Å; W418-A420 PolarHBondContact O-N 3.27Å
421S95.6Very high95.4Very high89 Ų8954.7 Ų54.762%0.62229%0.292SS*.Hα-helixtrans-86.2-16.2176.468.10000113.1N417 W418N417-S421 PolarHBondContact O-N 2.92Å; N417-S421 PolarHBondContact O-OG 2.76Å; W418-S421 PolarHBondContact O-N 3.36Å; W418-S421 PolarHBondContact O-OG 3.01Å
422L96.3Very high95.6Very high35 Ų3555 Ų5518%0.18330%0.295CS..  trans-72.3135.2177.7-61.7175.1000111.7M211 N214 W418 L419 V429 V431M211-L422 HydrophobicContact CE-CB 4.08Å; M211-L422 HydrophobicContact CE-CD1 3.73Å; M211-L422 HydrophobicContact SD-CB 4.09Å; N214-L422 PolarHBondContact ND2-O 3.4Å; W418-L422 HydrophobicContact CD2-CD1 4.41Å; W418-L422 HydrophobicContact CZ2-CD1 4.16Å; W418-L422 WeakPolarHBondContact O-CG 3.35Å; W418-L422 PolarHBondContact O-N 3.08Å; L419-L422 HydrophobicContact CD2-CD1 4.17Å; L422-V429 HydrophobicContact CB-CG1 3.98Å; L422-V429 HydrophobicContact CD1-CG1 3.72Å; L422-V429 HydrophobicContact CD2-CG1 4.03Å; L422-V429 HydrophobicContact CG-CG1 4.09Å; L422-V431 HydrophobicContact CD1-CG2 3.72Å
423D95.7Very high95.7Very high53 Ų5351.2 Ų51.228%0.28327%0.273SS..  trans-128.598.8-178.2-174-4.1000110.4E425 R426D423-E425 PolarHBondContact O-N 2.55Å; D423-E425 WeakPolarHBondContact OD1-CB 3.36Å; D423-E425 PolarHBondContact OD1-N 3.14Å; D423-R426 HydrophobicContact CB-CG 4.23Å; D423-R426 PolarHBondContact O-N 3.31Å; D423-R426 WeakPolarHBondContact OD2-CD 3.39Å; D423-R426 WeakPolarHBondContact OD2-CG 3.49Å; D423-R426 IonicContact OD2-CZ 3.82Å; D423-R426 IonicContact OD2-NE 2.85Å; D423-R426 PolarHBondContact OD2-NE 3.3Å
424P95.3Very high95.8Very high30 Ų3051 Ų5120%0.19527%0.265CS..THydrogen-bonded Turntrans-69.6-9-179.330.2-35.2000113.5M211 N214 R426M211-P424 HydrophobicContact CB-CB 4.48Å; M211-P424 HydrophobicContact CG-CB 4.35Å; M211-P424 HydrophobicContact CG-CG 4.23Å; M211-P424 VanDerWaalsContact O-CB 3.24Å; M211-P424 WeakPolarHBondContact O-CB 3.44Å; M211-P424 HydrophobicContact SD-CG 4.31Å; N214-P424 HydrophobicContact CB-CG 4.39Å; P424-R426 VanDerWaalsContact C-N 3.33Å
425E93.9Very high95.8Very high184 Ų18450.6 Ų50.686%0.8626%0.264SS*.THydrogen-bonded Turntrans-78.7-19.9174.9-58.8-176.6175.100112.1D423D423-E425 PolarHBondContact O-N 2.55Å; D423-E425 WeakPolarHBondContact OD1-CB 3.36Å; D423-E425 PolarHBondContact OD1-N 3.14Å
426R92.9Very high95.6Very high220 Ų22053.6 Ų53.683%0.8328%0.276SS*.SBendtrans-90.8-8.6-179.6-67.5-179.1-169.1-150.2-5.8114.4D423 P424D423-R426 HydrophobicContact CB-CG 4.23Å; D423-R426 PolarHBondContact O-N 3.31Å; D423-R426 WeakPolarHBondContact OD2-CD 3.39Å; D423-R426 WeakPolarHBondContact OD2-CG 3.49Å; D423-R426 IonicContact OD2-CZ 3.82Å; D423-R426 IonicContact OD2-NE 2.85Å; D423-R426 PolarHBondContact OD2-NE 3.3Å; P424-R426 VanDerWaalsContact C-N 3.33Å
427G92.1Very high95.3Very high41 Ų4163 Ų6342%0.42331%0.31SS..SBendtrans157.4179.7-178.100000112.6V429G427-V429 PolarHBondContact O-N 2.97Å
428E94.8Very high94.9Very high148 Ų14861.4 Ų61.469%0.69230%0.304SS*.  trans-66.9126.8176-174.5172.9-119.100110.7R210 L430R210-E428 HydrophobicContact CG-CG 4.3Å; E428-L430 HydrophobicContact CG-CD2 4Å; E428-L430 HydrophobicContact CG-CG 4.22Å
429V96.3Very high94.4Very high20 Ų2062.8 Ų62.812%0.12133%0.326CS..  trans-118.5118.8176.8173.20000108.4R210 M211 L422 G427 V431R210-V429 CarbonylContact C-O 3.58Å; R210-V429 WeakPolarHBondContact CA-O 3.34Å; M211-V429 HydrophobicContact CB-CB 4.1Å; M211-V429 HydrophobicContact CB-CG1 3.98Å; M211-V429 PolarHBondContact N-O 3.16Å; M211-V429 HydrophobicContact SD-CG1 4.44Å; L422-V429 HydrophobicContact CB-CG1 3.98Å; L422-V429 HydrophobicContact CD1-CG1 3.72Å; L422-V429 HydrophobicContact CD2-CG1 4.03Å; L422-V429 HydrophobicContact CG-CG1 4.09Å; G427-V429 PolarHBondContact O-N 2.97Å; V429-V431 HydrophobicContact CG1-CG2 4.19Å
430L96.5Very high94.1Very high81 Ų8162.9 Ų62.942%0.42433%0.326SS..EExtended strand (participates in β ladder)trans-107.4121.4178.4-60.1180000110.5P208 A209 R210 E428P208-L430 HydrophobicContact CB-CB 4.09Å; P208-L430 HydrophobicContact CB-CD1 4.32Å; A209-L430 WeakPolarHBondContact O-CA 3.38Å; R210-L430 HydrophobicContact CB-CD2 4.13Å; E428-L430 HydrophobicContact CG-CD2 4Å; E428-L430 HydrophobicContact CG-CG 4.22Å
431V97.1Very high94Very high0 Ų067.8 Ų67.80%034%0.342CS..EExtended strand (participates in β ladder)trans-111.7116.6-179.1172.70000109.7A209 M211 F231 I248 W418 L419 L422 V429 L433A209-V431 PolarHBondContact N-O 3.1Å; A209-V431 PolarHBondContact O-N 3.32Å; M211-V431 HydrophobicContact CE-CG2 3.87Å; F231-V431 HydrophobicContact CD1-CB 4.3Å; F231-V431 HydrophobicContact CE1-CB 3.72Å; F231-V431 HydrophobicContact CE1-CG1 3.95Å; F231-V431 HydrophobicContact CE1-CG2 3.77Å; F231-V431 HydrophobicContact CZ-CG1 4.3Å; I248-V431 HydrophobicContact CG2-CG1 3.61Å; W418-V431 HydrophobicContact CH2-CB 4.35Å; W418-V431 HydrophobicContact CH2-CG1 3.87Å; W418-V431 HydrophobicContact CH2-CG2 4.11Å; W418-V431 HydrophobicContact CZ3-CG1 4.06Å; L419-V431 HydrophobicContact CD2-CG1 4.09Å; L419-V431 HydrophobicContact CD2-CG2 4.2Å; L422-V431 HydrophobicContact CD1-CG2 3.72Å; V429-V431 HydrophobicContact CG1-CG2 4.19Å; V431-L433 PolarHBondContact O-N 3.15Å
432P95.3Very high93.9Very high20 Ų2065.5 Ų65.513%0.1332%0.321CS..EExtended strand (participates in β ladder)trans-67.1117.6177.2-18.331.7000111.2L206 F207 R249L206-P432 HydrophobicContact CB-CB 4.1Å; L206-P432 HydrophobicContact CD1-CB 3.87Å; F207-P432 CarbonylContact O-C 3.6Å; F207-P432 WeakPolarHBondContact O-CA 3.41Å; R249-P432 HydrophobicContact CB-CB 4.4Å; R249-P432 PolarHBondContact N-O 3.12Å
433L96.4Very high93.8Very high0 Ų064.5 Ų64.50%032%0.316CS..EExtended strand (participates in β ladder)trans-143.7163.7179.765.575.7000113.5F207 A209 F231 I233 I238 V246 L247 I248 V431F207-L433 WeakPolarHBondContact CB-O 3.34Å; F207-L433 HydrophobicContact CD1-CD1 4.43Å; F207-L433 PolarHBondContact N-O 3.25Å; F207-L433 PolarHBondContact O-N 3.31Å; A209-L433 HydrophobicContact CB-CD1 4.12Å; A209-L433 HydrophobicContact CB-CD2 3.44Å; A209-L433 VanDerWaalsContact CB-CD2 3.44Å; A209-L433 HydrophobicContact CB-CG 3.64Å; F231-L433 HydrophobicContact CB-CD2 4.23Å; F231-L433 HydrophobicContact CD1-CD2 4.24Å; F231-L433 HydrophobicContact CD2-CD2 4.24Å; F231-L433 HydrophobicContact CG-CD2 3.98Å; I233-L433 HydrophobicContact CG2-CD1 4.35Å; I238-L433 HydrophobicContact CD1-CD1 3.85Å; V246-L433 HydrophobicContact CG2-CB 3.95Å; V246-L433 HydrophobicContact CG2-CD1 4.23Å; V246-L433 HydrophobicContact CG2-CD2 4.2Å; V246-L433 HydrophobicContact CG2-CG 4.37Å; L247-L433 WeakPolarHBondContact O-CA 3.29Å; L247-L433 WeakPolarHBondContact O-CB 3.11Å; I248-L433 HydrophobicContact CG1-CB 4.11Å; V431-L433 PolarHBondContact O-N 3.15Å
434W96Very high93.4Very high17 Ų1767 Ų676%0.06434%0.336CS..EExtended strand (participates in β ladder)trans-153.4165.6167.269.7105.3000109.8P201 E203 L206 V246 L247 R249 P378P201-W434 HydrophobicContact CB-CB 4.04Å; E203-W434 HydrophobicContact CB-CZ2 3.96Å; E203-W434 HydrophobicContact CG-CH2 4.4Å; E203-W434 HydrophobicContact CG-CZ2 4.03Å; L206-W434 HydrophobicContact CD2-CD2 4.22Å; L206-W434 HydrophobicContact CD2-CE3 3.33Å; L206-W434 HydrophobicContact CD2-CH2 4.1Å; L206-W434 HydrophobicContact CD2-CZ3 3.28Å; V246-W434 WeakPolarHBondContact CG2-O 3.32Å; L247-W434 HydrophobicContact CB-CD2 3.74Å; L247-W434 HydrophobicContact CB-CE3 3.95Å; L247-W434 HydrophobicContact CB-CG 4.45Å; L247-W434 HydrophobicContact CB-CH2 3.9Å; L247-W434 HydrophobicContact CB-CZ2 3.63Å; L247-W434 HydrophobicContact CB-CZ3 4.01Å; L247-W434 HydrophobicContact CD2-CH2 4.38Å; L247-W434 HydrophobicContact CD2-CZ2 3.7Å; L247-W434 HydrophobicContact CG-CZ2 4.14Å; L247-W434 PolarHBondContact N-O 3.43Å; L247-W434 PolarHBondContact O-N 3.45Å; R249-W434 HydrophobicContact CB-CZ3 4.48Å; P378-W434 HydrophobicContact CB-CH2 3.38Å; P378-W434 HydrophobicContact CB-CZ2 4.14Å; P378-W434 HydrophobicContact CB-CZ3 4.01Å; P378-W434 HydrophobicContact CG-CH2 3.59Å; P378-W434 HydrophobicContact CG-CZ2 4.01Å
435V95.5Very high93.2Very high27 Ų2770.3 Ų70.316%0.16435%0.352CS..EExtended strand (participates in β ladder)trans-108.1141.5179.3177.30000110.7I238 F240 D244 I383 L394I238-V435 HydrophobicContact CG2-CB 4.05Å; I238-V435 HydrophobicContact CG2-CG2 3.5Å; F240-V435 HydrophobicContact CB-CG1 3.83Å; F240-V435 HydrophobicContact CD1-CG2 4.39Å; D244-V435 HydrophobicContact CB-CG1 4.1Å; I383-V435 HydrophobicContact CD1-CG1 3.98Å; I383-V435 HydrophobicContact CD1-CG2 3.99Å; L394-V435 HydrophobicContact CD1-CG2 3.76Å
436K92.3Very high92.6Very high72 Ų7267.8 Ų67.831%0.31334%0.34SS..EExtended strand (participates in β ladder)trans-120.3145.7169.6-178.9-172172.3-171.40108.9D68 V245 L247 G438D68-K436 WeakPolarHBondContact OD1-CE 3.46Å; D68-K436 IonicContact OD1-NZ 2.82Å; D68-K436 PolarHBondContact OD1-NZ 3.29Å; D68-K436 IonicContact OD2-NZ 2.73Å; D68-K436 PolarHBondContact OD2-NZ 2.92Å; V245-K436 PolarHBondContact N-O 3.17Å; V245-K436 PolarHBondContact O-N 2.97Å; L247-K436 HydrophobicContact CD1-CB 3.43Å; L247-K436 VanDerWaalsContact CD1-CB 3.43Å; L247-K436 HydrophobicContact CD1-CD 4.23Å; L247-K436 HydrophobicContact CD1-CG 4.48Å; K436-G438 PolarHBondContact O-N 2.53Å
437R91.4Very high92.4Very high205 Ų20564.1 Ų64.177%0.77434%0.337SS*.  trans-57.5122.2169.2-72.5-170.2-178.61781.2110.4D244D244-R437 VanDerWaalsContact OD1-CA 3.24Å; D244-R437 WeakPolarHBondContact OD1-CA 3.37Å
438G89.1Confident92.5Very high10 Ų1063.3 Ų63.310%0.10332%0.324CS..  trans-83.8-174.1-179.800000112.8G243 D244 K436 R441G243-G438 VanDerWaalsContact O-CA 3.22Å; G243-G438 WeakPolarHBondContact O-CA 3.03Å; D244-G438 PolarHBondContact OD1-N 2.84Å; K436-G438 PolarHBondContact O-N 2.53Å; G438-R441 PolarHBondContact O-NH1 3.45Å; G438-R441 PolarHBondContact O-NH2 3.16Å
439G85.1Confident92.6Very high54 Ų5456.6 Ų56.656%0.55729%0.293SS*.SBendtrans-85.2-29.2-176.300000113.4Q589G439-Q589 PolarHBondContact O-OE1 3.47Å
440L93Very high92.7Very high1 Ų155.6 Ų55.61%0.00529%0.287CS..  trans-78.2132.4-175.5-58.4177.9000111.5F442 P461 F462 Y544 Q589 E591L440-F442 HydrophobicContact CB-CE2 4.14Å; L440-F442 HydrophobicContact CB-CZ 4.41Å; L440-P461 HydrophobicContact CD1-CB 3.85Å; L440-P461 HydrophobicContact CD1-CG 4Å; L440-F462 HydrophobicContact CD1-CE1 4.18Å; L440-Y544 HydrophobicContact CD2-CD1 4.11Å; L440-Q589 HydrophobicContact CD2-CB 4Å; L440-E591 HydrophobicContact CD1-CB 3.96Å; L440-E591 HydrophobicContact CD2-CB 3.84Å; L440-E591 HydrophobicContact CG-CB 3.81Å
441R93.4Very high92.8Very high116 Ų11651.8 Ų51.844%0.43827%0.267SS..  trans-126.5118.3175.2-61.6-65.7176.3-110.7-6.9109.9D244 G438 Y544 Q589D244-R441 IonicContact OD1-NH1 2.65Å; D244-R441 PolarHBondContact OD1-NH1 3.43Å; G438-R441 PolarHBondContact O-NH1 3.45Å; G438-R441 PolarHBondContact O-NH2 3.16Å; R441-Y544 WeakPolarHBondContact O-CE1 3.46Å; R441-Y544 PolarHBondContact O-OH 3.15Å; R441-Q589 PolarHBondContact O-NE2 3.32Å
442F94.1Very high92.9Very high41 Ų4151.8 Ų51.818%0.1827%0.267CS..  trans-89.4147.9179.6-64.8-82.4000111.4A242 L440 L452 F462 A465 Y544A242-F442 HydrophobicContact CB-CD2 3.87Å; A242-F442 HydrophobicContact CB-CE2 3.86Å; A242-F442 WeakPolarHBondContact O-CD2 3.23Å; A242-F442 WeakPolarHBondContact O-CE2 3.24Å; L440-F442 HydrophobicContact CB-CE2 4.14Å; L440-F442 HydrophobicContact CB-CZ 4.41Å; F442-L452 HydrophobicContact CE1-CD2 3.95Å; F442-F462 HydrophobicContact CZ-CD1 4.33Å; F442-A465 HydrophobicContact CD1-CB 3.92Å; F442-A465 HydrophobicContact CD2-CB 4.17Å; F442-A465 HydrophobicContact CE1-CB 3.45Å; F442-A465 VanDerWaalsContact CE1-CB 3.45Å; F442-A465 HydrophobicContact CE2-CB 3.73Å; F442-A465 HydrophobicContact CG-CB 4.26Å; F442-A465 HydrophobicContact CZ-CB 3.35Å; F442-Y544 WeakPolarHBondContact CA-OH 3.45Å; F442-Y544 HydrophobicContact CD1-CD2 4.46Å; F442-Y544 HydrophobicContact CD1-CE1 4.29Å; F442-Y544 AromaticContact CD1-CE2 3.91Å; F442-Y544 HydrophobicContact CD1-CE2 3.91Å; F442-Y544 AromaticContact CD1-CZ 3.84Å; F442-Y544 HydrophobicContact CE1-CD1 4.31Å; F442-Y544 HydrophobicContact CE1-CD2 4.11Å; F442-Y544 HydrophobicContact CE1-CE1 4.25Å; F442-Y544 HydrophobicContact CE1-CE2 4.03Å; F442-Y544 HydrophobicContact CE1-CG 4.24Å
443P93.5Very high93Very high14 Ų1450.8 Ų50.89%0.09126%0.261CS..  trans-66.9136.1-177.827-35.4000111.1D445 T448 V450 K474 Y544P443-D445 VanDerWaalsContact C-N 3.32Å; P443-T448 HydrophobicContact CB-CG2 3.77Å; P443-T448 HydrophobicContact CG-CG2 3.75Å; P443-V450 HydrophobicContact CG-CG1 3.73Å; P443-K474 PolarHBondContact O-NZ 3.08Å; P443-Y544 VanDerWaalsContact CD-OH 3.23Å; P443-Y544 WeakPolarHBondContact CD-OH 3.31Å
444P88.4Confident93.1Very high106 Ų10650.8 Ų50.869%0.68826%0.261SS*.  trans-72-30.1177.330-34000111.9K474P444-K474 VanDerWaalsContact O-CE 3.31Å; P444-K474 WeakPolarHBondContact O-CE 3.47Å; P444-K474 PolarHBondContact O-NZ 3.22Å
445D90.1Very high93.1Very high100 Ų10051.4 Ų51.454%0.53527%0.267SS..SBendtrans-63.7143.2-176.2-56.4-54.7000112.2P443 T448 K474P443-D445 VanDerWaalsContact C-N 3.32Å; D445-T448 WeakPolarHBondContact CB-OG1 3.35Å; D445-K474 WeakPolarHBondContact O-CE 3.32Å
446Q82.1Confident93.1Very high130 Ų13051 Ų5161%0.60727%0.268SS*.SBendtrans-69.7-39.4-176.4-76.9-169.8-3.400112.9K474Q446-K474 HydrophobicContact CG-CG 4.43Å
447D87.4Confident93.3Very high143 Ų14349 Ų4977%0.76526%0.262SS*.SBendtrans-89.2-13.4-170.8-61-46.6000113.6P449D447-P449 WeakPolarHBondContact O-CD 3.3Å; D447-P449 VanDerWaalsContact O-N 3.15Å
448T95Very high93.6Very high25 Ų2539.2 Ų39.215%0.15323%0.225CC..  trans-65.6115.6-178.6-56.10000110.3P443 D445 R469P443-T448 HydrophobicContact CB-CG2 3.77Å; P443-T448 HydrophobicContact CG-CG2 3.75Å; D445-T448 WeakPolarHBondContact CB-OG1 3.35Å; T448-R469 PolarHBondContact O-NH2 3.36Å
449P97Very high94Very high6 Ų638.7 Ų38.74%0.03922%0.22CC..  trans-69145.9178.4-18.633.3000111.1D447 A476 L535 K539 G541 C542D447-P449 WeakPolarHBondContact O-CD 3.3Å; D447-P449 VanDerWaalsContact O-N 3.15Å; P449-A476 WeakPolarHBondContact CA-O 3.06Å; P449-A476 HydrophobicContact CB-CB 4.03Å; P449-A476 HydrophobicContact CG-CB 4.2Å; P449-L535 HydrophobicContact CB-CD2 3.79Å; P449-L535 HydrophobicContact CG-CD2 3.94Å; P449-K539 HydrophobicContact CG-CB 3.9Å; P449-K539 HydrophobicContact CG-CD 4.25Å; P449-G541 CarbonylContact O-C 3.54Å; P449-G541 WeakPolarHBondContact O-CA 3.33Å; P449-C542 PolarHBondContact O-N 2.79Å
450V98Very high94.6Very high0 Ų036.3 Ų36.30%020%0.195CC..EExtended strand (participates in β ladder)trans-117.6133.2172.1-59.70000110.8P443 L452 R469 A476 N477 V478 C542 Y544P443-V450 HydrophobicContact CG-CG1 3.73Å; V450-L452 HydrophobicContact CB-CD2 4.14Å; V450-L452 HydrophobicContact CG2-CD1 4.36Å; V450-L452 HydrophobicContact CG2-CD2 4.13Å; V450-L452 HydrophobicContact CG2-CG 4.25Å; V450-R469 VanDerWaalsContact CG2-NE 3.34Å; V450-A476 PolarHBondContact N-O 2.9Å; V450-A476 VanDerWaalsContact N-O 3.07Å; V450-N477 HydrophobicContact CG2-CB 4.33Å; V450-N477 VanDerWaalsContact CG2-OD1 3.29Å; V450-N477 WeakPolarHBondContact CG2-OD1 3.37Å; V450-V478 PolarHBondContact O-N 2.92Å; V450-C542 CarbonylContact C-O 3.48Å; V450-C542 WeakPolarHBondContact CA-O 3.44Å; V450-Y544 HydrophobicContact CB-CD2 4.48Å; V450-Y544 HydrophobicContact CB-CE2 4.14Å; V450-Y544 HydrophobicContact CG1-CE2 4Å
451V98.6Very high94.8Very high0 Ų036.2 Ų36.20%019%0.194CC..EExtended strand (participates in β ladder)trans-110.5120.1172.7-1790000108.2V453 V478 F480 L532 L535 M536 C542 F543 Y544V451-V453 HydrophobicContact CG1-CG2 4.43Å; V451-V478 WeakPolarHBondContact CA-O 3.31Å; V451-V478 HydrophobicContact CG2-CB 4.31Å; V451-F480 HydrophobicContact CG1-CD2 3.88Å; V451-F480 HydrophobicContact CG1-CE2 3.69Å; V451-L532 HydrophobicContact CG1-CD2 3.82Å; V451-L532 HydrophobicContact CG2-CD2 4.07Å; V451-L535 HydrophobicContact CG2-CD1 3.72Å; V451-M536 HydrophobicContact CB-CE 4.48Å; V451-M536 HydrophobicContact CG2-CE 3.7Å; V451-C542 PolarHBondContact N-O 3.24Å; V451-F543 HydrophobicContact CB-CD2 3.71Å; V451-F543 HydrophobicContact CB-CE2 4.19Å; V451-F543 HydrophobicContact CB-CG 4.34Å; V451-F543 HydrophobicContact CG1-CD2 3.57Å; V451-F543 HydrophobicContact CG1-CE2 3.5Å; V451-F543 VanDerWaalsContact CG1-CE2 3.5Å; V451-F543 HydrophobicContact CG1-CG 4.41Å; V451-F543 HydrophobicContact CG1-CZ 4.3Å; V451-F543 HydrophobicContact CG2-CD2 4.39Å; V451-F543 WeakPolarHBondContact O-CA 3.26Å; V451-Y544 PolarHBondContact O-N 3.29Å
452L98.6Very high95.1Very high0 Ų030.7 Ų30.70%017%0.174CC..EExtended strand (participates in β ladder)trans-115.8119.3-171.7-49.6176.2000108.4F442 V450 F462 L466 V478 L479 F480 Y544F442-L452 HydrophobicContact CE1-CD2 3.95Å; V450-L452 HydrophobicContact CB-CD2 4.14Å; V450-L452 HydrophobicContact CG2-CD1 4.36Å; V450-L452 HydrophobicContact CG2-CD2 4.13Å; V450-L452 HydrophobicContact CG2-CG 4.25Å; L452-F462 HydrophobicContact CB-CB 4.12Å; L452-F462 HydrophobicContact CB-CD1 3.97Å; L452-F462 HydrophobicContact CB-CD2 3.95Å; L452-F462 HydrophobicContact CB-CE1 4.4Å; L452-F462 HydrophobicContact CB-CE2 4.38Å; L452-F462 HydrophobicContact CB-CG 3.73Å; L452-F462 HydrophobicContact CD1-CB 3.94Å; L452-F462 HydrophobicContact CD1-CD1 4.38Å; L452-F462 HydrophobicContact CD1-CG 4.29Å; L452-F462 HydrophobicContact CD2-CD1 3.68Å; L452-F462 HydrophobicContact CD2-CE1 4.03Å; L452-F462 HydrophobicContact CD2-CG 4.27Å; L452-F462 HydrophobicContact CG-CB 4.47Å; L452-F462 HydrophobicContact CG-CD1 4.21Å; L452-F462 HydrophobicContact CG-CG 4.3Å; L452-L466 HydrophobicContact CD1-CD1 4.11Å; L452-L466 HydrophobicContact CD1-CD2 3.86Å; L452-L466 HydrophobicContact CD1-CG 3.76Å; L452-V478 PolarHBondContact N-O 3.33Å; L452-L479 HydrophobicContact CB-CD1 3.86Å; L452-L479 CarbonylContact O-C 3.15Å; L452-L479 WeakPolarHBondContact O-CA 3.09Å; L452-F480 PolarHBondContact O-N 2.96Å; L452-Y544 HydrophobicContact CD2-CD2 3.67Å; L452-Y544 HydrophobicContact CD2-CE2 4.47Å; L452-Y544 HydrophobicContact CD2-CG 4.21Å
453V98.6Very high95.2Very high0 Ų029.3 Ų29.30%017%0.167CC..EExtended strand (participates in β ladder)trans-118.499.3179.1-1720000109.6V451 F462 F480 V521 V525 F543 Y544 I545 A546 V556V451-V453 HydrophobicContact CG1-CG2 4.43Å; V453-F462 VanDerWaalsContact C-CE2 3.44Å; V453-F462 WeakPolarHBondContact O-CE2 3.3Å; V453-F480 HydrophobicContact CB-CB 4.39Å; V453-F480 HydrophobicContact CG1-CB 4.15Å; V453-F480 HydrophobicContact CG2-CB 4.1Å; V453-F480 HydrophobicContact CG2-CD2 4.05Å; V453-F480 HydrophobicContact CG2-CG 4.36Å; V453-V521 HydrophobicContact CG1-CB 4.05Å; V453-V521 HydrophobicContact CG1-CG2 3.96Å; V453-V525 HydrophobicContact CG2-CG2 4.32Å; V453-F543 HydrophobicContact CG2-CE1 3.71Å; V453-F543 HydrophobicContact CG2-CE2 4.26Å; V453-F543 HydrophobicContact CG2-CZ 3.48Å; V453-F543 VanDerWaalsContact CG2-CZ 3.48Å; V453-Y544 PolarHBondContact N-O 3.39Å; V453-I545 WeakPolarHBondContact O-CA 3.44Å; V453-A546 PolarHBondContact O-N 2.91Å; V453-V556 HydrophobicContact CB-CG1 4.29Å; V453-V556 HydrophobicContact CG1-CG1 3.97Å; V453-V556 HydrophobicContact CG1-CG2 3.92Å; V453-V556 HydrophobicContact CG2-CG1 4.21Å
454G97.5Very high95.5Very high0 Ų028.6 Ų28.60%016%0.163CC..  trans-13779.7-17000000113.4V459 F480 F481G454-V459 PolarHBondContact O-N 3.18Å; G454-F480 PolarHBondContact N-O 2.65Å; G454-F481 WeakPolarHBondContact O-CD2 3.38Å
455P96.7Very high95.9Very high30 Ų3023.6 Ų23.620%0.19513%0.13CC..  trans-69.9143173.528.3-33.3000112.1G458 G482 V521 M552P455-G458 WeakPolarHBondContact O-CA 3.45Å; P455-G458 PolarHBondContact O-N 3.23Å; P455-G482 CarbonylContact C-O 3.5Å; P455-G482 VanDerWaalsContact CA-O 3.3Å; P455-G482 WeakPolarHBondContact CA-O 3.33Å; P455-V521 HydrophobicContact CB-CG1 4.05Å; P455-V521 HydrophobicContact CB-CG2 4.44Å; P455-V521 HydrophobicContact CG-CG1 4.48Å; P455-V521 HydrophobicContact CG-CG2 4.11Å; P455-M552 HydrophobicContact CG-CE 4.03Å; P455-M552 HydrophobicContact CG-CG 3.83Å; P455-M552 HydrophobicContact CG-SD 3.99Å
456G95.9Very high96.3Very high19 Ų1918.9 Ų18.920%0.19611%0.105CC..G310 helixtrans61-133.917800000112.3G458 V459 G482G456-G458 PolarHBondContact O-N 3.41Å; G456-V459 WeakPolarHBondContact O-CG1 3.13Å; G456-V459 PolarHBondContact O-N 3.39Å; G456-G482 PolarHBondContact N-O 3.01Å
457T96.6Very high97Very high28 Ų2813.3 Ų13.317%0.1728%0.079CC..G310 helixtrans-68.5-8.9176.255.90000113.4V226 L397 A399 V459 A460V226-T457 HydrophobicContact CG1-CG2 4.07Å; L397-T457 HydrophobicContact CD2-CG2 4.22Å; L397-T457 HydrophobicContact CG-CG2 4.17Å; A399-T457 HydrophobicContact CB-CG2 3.85Å; T457-V459 PolarHBondContact O-N 2.94Å; T457-V459 VanDerWaalsContact O-N 3.11Å; T457-A460 WeakPolarHBondContact O-CB 3.35Å; T457-A460 PolarHBondContact O-N 3.33Å; T457-A460 VanDerWaalsContact O-N 3.13Å
458G96.4Very high97.4Very high0 Ų07.8 Ų7.80%05%0.049CC..G310 helixtrans-56.7-19169.700000114.2P455 G456 A460 P461 F462 A546P455-G458 WeakPolarHBondContact O-CA 3.45Å; P455-G458 PolarHBondContact O-N 3.23Å; G456-G458 PolarHBondContact O-N 3.41Å; G458-A460 VanDerWaalsContact C-N 3.28Å; G458-A460 PolarHBondContact O-N 2.88Å; G458-P461 WeakPolarHBondContact O-CD 3.43Å; G458-F462 WeakPolarHBondContact O-CD2 3.3Å; G458-A546 WeakPolarHBondContact CA-O 3.36Å; G458-A546 WeakPolarHBondContact O-CB 3.41Å
459V97.8Very high97.4Very high0 Ų06.9 Ų6.90%04%0.042CC..G310 helixtrans-74.3-15177.578.70000113.8L397 G454 G456 T457 F462 R463 L479 F481 Y491 F492 W496L397-V459 HydrophobicContact CD2-CG1 3.92Å; G454-V459 PolarHBondContact O-N 3.18Å; G456-V459 WeakPolarHBondContact O-CG1 3.13Å; G456-V459 PolarHBondContact O-N 3.39Å; T457-V459 PolarHBondContact O-N 2.94Å; T457-V459 VanDerWaalsContact O-N 3.11Å; V459-F462 PolarHBondContact O-N 3.04Å; V459-F462 VanDerWaalsContact O-N 3.1Å; V459-R463 PolarHBondContact O-N 3.14Å; V459-L479 HydrophobicContact CG2-CD1 4.32Å; V459-L479 HydrophobicContact CG2-CD2 4.27Å; V459-F481 HydrophobicContact CB-CD2 3.91Å; V459-F481 HydrophobicContact CB-CE2 3.98Å; V459-F481 HydrophobicContact CG1-CD2 4.38Å; V459-F481 HydrophobicContact CG1-CE2 3.99Å; V459-F481 HydrophobicContact CG2-CD2 3.92Å; V459-F481 HydrophobicContact CG2-CE2 4.36Å; V459-Y491 HydrophobicContact CG1-CD2 4.28Å; V459-F492 HydrophobicContact CG1-CD2 4.3Å; V459-F492 HydrophobicContact CG1-CE2 4.04Å; V459-W496 HydrophobicContact CG2-CH2 4.23Å; V459-W496 HydrophobicContact CG2-CZ2 3.68Å
460A97.8Very high97.3Very high3 Ų38.1 Ų8.13%0.0255%0.048CC..Hα-helixtrans-51.2-59.1-176.100000113.9A384 L397 T457 G458 F462 R463 A464A384-A460 WeakPolarHBondContact CA-O 3.37Å; A384-A460 HydrophobicContact CB-CB 4.02Å; L397-A460 HydrophobicContact CB-CB 4.12Å; T457-A460 WeakPolarHBondContact O-CB 3.35Å; T457-A460 PolarHBondContact O-N 3.33Å; T457-A460 VanDerWaalsContact O-N 3.13Å; G458-A460 VanDerWaalsContact C-N 3.28Å; G458-A460 PolarHBondContact O-N 2.88Å; A460-F462 PolarHBondContact O-N 3.46Å; A460-R463 PolarHBondContact O-N 2.95Å; A460-A464 PolarHBondContact O-N 3.08Å
461P97.6Very high97.2Very high0 Ų010.9 Ų10.90%07%0.068CC..Hα-helixtrans-64.4-26.9-18026.6-34000112.6L440 G458 A464 A465 A546L440-P461 HydrophobicContact CD1-CB 3.85Å; L440-P461 HydrophobicContact CD1-CG 4Å; G458-P461 WeakPolarHBondContact O-CD 3.43Å; P461-A464 PolarHBondContact O-N 2.64Å; P461-A465 WeakPolarHBondContact O-CB 3.49Å; P461-A465 PolarHBondContact O-N 3.2Å; P461-A546 HydrophobicContact CG-CB 3.95Å
462F98.3Very high96.9Very high0 Ų013.9 Ų13.90%08%0.082CC..Hα-helixtrans-76.4-32.1179.6-59.2-32.5000112.9L440 F442 L452 V453 G458 V459 A460 A465 L466 L479 Y544 A546L440-F462 HydrophobicContact CD1-CE1 4.18Å; F442-F462 HydrophobicContact CZ-CD1 4.33Å; L452-F462 HydrophobicContact CB-CB 4.12Å; L452-F462 HydrophobicContact CB-CD1 3.97Å; L452-F462 HydrophobicContact CB-CD2 3.95Å; L452-F462 HydrophobicContact CB-CE1 4.4Å; L452-F462 HydrophobicContact CB-CE2 4.38Å; L452-F462 HydrophobicContact CB-CG 3.73Å; L452-F462 HydrophobicContact CD1-CB 3.94Å; L452-F462 HydrophobicContact CD1-CD1 4.38Å; L452-F462 HydrophobicContact CD1-CG 4.29Å; L452-F462 HydrophobicContact CD2-CD1 3.68Å; L452-F462 HydrophobicContact CD2-CE1 4.03Å; L452-F462 HydrophobicContact CD2-CG 4.27Å; L452-F462 HydrophobicContact CG-CB 4.47Å; L452-F462 HydrophobicContact CG-CD1 4.21Å; L452-F462 HydrophobicContact CG-CG 4.3Å; V453-F462 VanDerWaalsContact C-CE2 3.44Å; V453-F462 WeakPolarHBondContact O-CE2 3.3Å; G458-F462 WeakPolarHBondContact O-CD2 3.3Å; V459-F462 PolarHBondContact O-N 3.04Å; V459-F462 VanDerWaalsContact O-N 3.1Å; A460-F462 PolarHBondContact O-N 3.46Å; F462-A465 PolarHBondContact O-N 2.81Å; F462-L466 WeakPolarHBondContact O-CB 3.38Å; F462-L466 WeakPolarHBondContact O-CG 3.3Å; F462-L466 PolarHBondContact O-N 3.01Å; F462-L479 HydrophobicContact CB-CD1 4.49Å; F462-L479 HydrophobicContact CD2-CD1 4.5Å; F462-Y544 VanDerWaalsContact CE1-CB 3.47Å; F462-Y544 HydrophobicContact CE1-CG 4.36Å; F462-A546 HydrophobicContact CE1-CB 4.35Å; F462-A546 HydrophobicContact CE2-CB 3.61Å; F462-A546 HydrophobicContact CZ-CB 3.5Å; F462-A546 VanDerWaalsContact CZ-CB 3.5Å
463R98.1Very high96.7Very high11 Ų1116.8 Ų16.84%0.04211%0.111CC..Hα-helixtrans-61.8-46.8168.8-176.5171.7171.5-105.911.1111.3A384 V459 A460 A465 L466 Q467 F492 E495 W496A384-R463 PolarHBondContact O-NH1 2.91Å; V459-R463 PolarHBondContact O-N 3.14Å; A460-R463 PolarHBondContact O-N 2.95Å; R463-A465 VanDerWaalsContact C-N 3.34Å; R463-A465 PolarHBondContact O-N 3.02Å; R463-L466 PolarHBondContact O-N 2.73Å; R463-Q467 WeakPolarHBondContact O-CB 3.36Å; R463-Q467 WeakPolarHBondContact O-CG 3.26Å; R463-Q467 PolarHBondContact O-N 3.23Å; R463-F492 VanDerWaalsContact CD-CE1 3.49Å; R463-F492 VanDerWaalsContact CD-CZ 3.45Å; R463-E495 IonicContact CZ-OE1 3.94Å; R463-E495 IonicContact CZ-OE2 3.37Å; R463-E495 IonicContact NE-OE1 2.91Å; R463-E495 PolarHBondContact NE-OE1 2.94Å; R463-E495 VanDerWaalsContact NE-OE1 3.14Å; R463-E495 IonicContact NE-OE2 3.14Å; R463-E495 PolarHBondContact NE-OE2 2.89Å; R463-E495 IonicContact NH2-OE1 3.15Å; R463-E495 PolarHBondContact NH2-OE1 3.26Å; R463-E495 IonicContact NH2-OE2 2.77Å; R463-E495 PolarHBondContact NH2-OE2 3.1Å; R463-W496 HydrophobicContact CB-CH2 3.77Å; R463-W496 HydrophobicContact CB-CZ2 4.45Å; R463-W496 HydrophobicContact CG-CH2 3.91Å
464A97.9Very high96.4Very high0 Ų017.4 Ų17.40%011%0.114CC..Hα-helixtrans-58.2-46.3174.700000111.6A242 I383 S385 A460 P461 L466 Q467 E468A242-A464 HydrophobicContact CB-CB 4.25Å; I383-A464 WeakPolarHBondContact O-CB 3.18Å; S385-A464 WeakPolarHBondContact O-CB 3.18Å; A460-A464 PolarHBondContact O-N 3.08Å; P461-A464 PolarHBondContact O-N 2.64Å; A464-L466 PolarHBondContact O-N 3.36Å; A464-Q467 PolarHBondContact O-N 3.31Å; A464-E468 WeakPolarHBondContact O-CB 3.43Å; A464-E468 PolarHBondContact O-N 3.03Å
465A97.5Very high96.1Very high1 Ų119.7 Ų19.71%0.00813%0.133CC..Hα-helixtrans-62.6-42.8178.700000113.2A242 F442 P461 F462 R463 E468 R469A242-A465 VanDerWaalsContact CB-CA 3.4Å; A242-A465 HydrophobicContact CB-CB 3.86Å; F442-A465 HydrophobicContact CD1-CB 3.92Å; F442-A465 HydrophobicContact CD2-CB 4.17Å; F442-A465 HydrophobicContact CE1-CB 3.45Å; F442-A465 VanDerWaalsContact CE1-CB 3.45Å; F442-A465 HydrophobicContact CE2-CB 3.73Å; F442-A465 HydrophobicContact CG-CB 4.26Å; F442-A465 HydrophobicContact CZ-CB 3.35Å; P461-A465 WeakPolarHBondContact O-CB 3.49Å; P461-A465 PolarHBondContact O-N 3.2Å; F462-A465 PolarHBondContact O-N 2.81Å; R463-A465 VanDerWaalsContact C-N 3.34Å; R463-A465 PolarHBondContact O-N 3.02Å; A465-E468 PolarHBondContact O-N 2.96Å; A465-R469 VanDerWaalsContact O-CB 3.24Å; A465-R469 WeakPolarHBondContact O-CB 3.44Å; A465-R469 WeakPolarHBondContact O-CG 3.18Å; A465-R469 PolarHBondContact O-N 3.24Å
466L97.8Very high96Very high0 Ų020.1 Ų20.10%014%0.139CC..Hα-helixtrans-64.6-46.2176.3-72.1169.5000110.7L452 F462 R463 A464 E468 R469 L470 N477 L479 W496 M499 L505L452-L466 HydrophobicContact CD1-CD1 4.11Å; L452-L466 HydrophobicContact CD1-CD2 3.86Å; L452-L466 HydrophobicContact CD1-CG 3.76Å; F462-L466 WeakPolarHBondContact O-CB 3.38Å; F462-L466 WeakPolarHBondContact O-CG 3.3Å; F462-L466 PolarHBondContact O-N 3.01Å; R463-L466 PolarHBondContact O-N 2.73Å; A464-L466 PolarHBondContact O-N 3.36Å; L466-E468 VanDerWaalsContact C-N 3.32Å; L466-E468 PolarHBondContact O-N 3.46Å; L466-R469 PolarHBondContact O-N 3.08Å; L466-L470 VanDerWaalsContact O-CB 3.27Å; L466-L470 WeakPolarHBondContact O-CB 3.29Å; L466-L470 WeakPolarHBondContact O-CG 3.34Å; L466-L470 PolarHBondContact O-N 3.3Å; L466-N477 HydrophobicContact CD2-CB 3.58Å; L466-L479 HydrophobicContact CD1-CD2 4.18Å; L466-W496 HydrophobicContact CD1-CE3 4.19Å; L466-W496 HydrophobicContact CD1-CH2 4.03Å; L466-W496 HydrophobicContact CD1-CZ3 3.44Å; L466-W496 VanDerWaalsContact CD1-CZ3 3.44Å; L466-M499 HydrophobicContact CB-SD 4.29Å; L466-L505 HydrophobicContact CD1-CD1 4.18Å; L466-L505 HydrophobicContact CD1-CD2 4.34Å; L466-L505 HydrophobicContact CD2-CD1 3.93Å
467Q97.3Very high96Very high13 Ų1319.4 Ų19.46%0.06113%0.131CC..Hα-helixtrans-54.9-48174.9-77-179.8-1.600112V389 R463 A464 S471V389-Q467 HydrophobicContact CB-CB 4.28Å; V389-Q467 HydrophobicContact CG2-CB 3.74Å; V389-Q467 HydrophobicContact CG2-CG 4.34Å; V389-Q467 WeakPolarHBondContact CG2-O 3.19Å; R463-Q467 WeakPolarHBondContact O-CB 3.36Å; R463-Q467 WeakPolarHBondContact O-CG 3.26Å; R463-Q467 PolarHBondContact O-N 3.23Å; A464-Q467 PolarHBondContact O-N 3.31Å; Q467-S471 WeakPolarHBondContact O-CB 3.06Å; Q467-S471 PolarHBondContact O-N 2.95Å; Q467-S471 VanDerWaalsContact O-N 3.12Å
468E95.8Very high96.1Very high28 Ų2818.3 Ų18.313%0.13112%0.124CC..Hα-helixtrans-64.4-51.6179.9-164.2166.2167.500111.7A242 S386 K388 A464 A465 L466 L470 S471 E472A242-E468 HydrophobicContact CB-CB 4.47Å; A242-E468 WeakPolarHBondContact CB-OE2 3.49Å; A242-E468 PolarHBondContact N-OE2 3.12Å; S386-E468 WeakPolarHBondContact OG-CB 3.4Å; K388-E468 HydrophobicContact CD-CG 3.76Å; K388-E468 WeakPolarHBondContact CE-OE1 3.43Å; K388-E468 HydrophobicContact CG-CG 4.21Å; K388-E468 IonicContact NZ-OE1 3.54Å; A464-E468 WeakPolarHBondContact O-CB 3.43Å; A464-E468 PolarHBondContact O-N 3.03Å; A465-E468 PolarHBondContact O-N 2.96Å; L466-E468 VanDerWaalsContact C-N 3.32Å; L466-E468 PolarHBondContact O-N 3.46Å; E468-L470 VanDerWaalsContact C-N 3.35Å; E468-L470 PolarHBondContact O-N 2.89Å; E468-S471 PolarHBondContact O-N 3.29Å; E468-S471 VanDerWaalsContact O-N 3.16Å; E468-S471 PolarHBondContact O-OG 3.33Å; E468-E472 WeakPolarHBondContact O-CG 3.19Å; E468-E472 PolarHBondContact O-N 3.37Å
469R95.9Very high96.2Very high5 Ų518.3 Ų18.32%0.01912%0.124CC..Hα-helixtrans-60.9-42-178.9-75.1177.663.982.9-5112.5T448 V450 A465 L466 S471 E472 G473 K474 A476 N477T448-R469 PolarHBondContact O-NH2 3.36Å; V450-R469 VanDerWaalsContact CG2-NE 3.34Å; A465-R469 VanDerWaalsContact O-CB 3.24Å; A465-R469 WeakPolarHBondContact O-CB 3.44Å; A465-R469 WeakPolarHBondContact O-CG 3.18Å; A465-R469 PolarHBondContact O-N 3.24Å; L466-R469 PolarHBondContact O-N 3.08Å; R469-S471 VanDerWaalsContact C-N 3.33Å; R469-S471 PolarHBondContact O-N 3.24Å; R469-E472 CarbonylContact O-C 3.53Å; R469-E472 PolarHBondContact O-N 2.7Å; R469-E472 VanDerWaalsContact O-N 3.16Å; R469-G473 PolarHBondContact O-N 3.15Å; R469-K474 HydrophobicContact CB-CB 4.02Å; R469-K474 HydrophobicContact CB-CD 4.43Å; R469-K474 HydrophobicContact CG-CD 4.19Å; R469-K474 WeakPolarHBondContact O-CB 3.44Å; R469-K474 PolarHBondContact O-N 3.22Å; R469-A476 PolarHBondContact NH2-O 3.28Å; R469-N477 PolarHBondContact NE-OD1 3.04Å; R469-N477 PolarHBondContact NH2-OD1 2.86Å
470L95.1Very high96.3Very high32 Ų3218.3 Ų18.317%0.16812%0.124CC..Hα-helixtrans-68-34.1178.3-65.4-176.1000112.3L466 E468 E472 G473 M499 K504L466-L470 VanDerWaalsContact O-CB 3.27Å; L466-L470 WeakPolarHBondContact O-CB 3.29Å; L466-L470 WeakPolarHBondContact O-CG 3.34Å; L466-L470 PolarHBondContact O-N 3.3Å; E468-L470 VanDerWaalsContact C-N 3.35Å; E468-L470 PolarHBondContact O-N 2.89Å; L470-E472 PolarHBondContact O-N 3.12Å; L470-G473 PolarHBondContact O-N 3.08Å; L470-M499 HydrophobicContact CD1-CB 4.29Å; L470-M499 HydrophobicContact CD1-CE 3.87Å; L470-M499 HydrophobicContact CD1-CG 3.51Å; L470-M499 HydrophobicContact CD1-SD 3.55Å; L470-M499 VanDerWaalsContact CD1-SD 3.55Å; L470-K504 HydrophobicContact CD2-CB 3.42Å; L470-K504 VanDerWaalsContact CD2-CB 3.42Å; L470-K504 HydrophobicContact CD2-CD 3.71Å; L470-K504 HydrophobicContact CD2-CG 4.17Å
471S94.9Very high96.3Very high59 Ų5918.1 Ų18.141%0.41312%0.123SC..Hα-helixtrans-65.8-25.7173.177.30000112.8K388 Q467 E468 R469K388-S471 WeakPolarHBondContact CB-OG 3.33Å; K388-S471 WeakPolarHBondContact CD-OG 3.45Å; Q467-S471 WeakPolarHBondContact O-CB 3.06Å; Q467-S471 PolarHBondContact O-N 2.95Å; Q467-S471 VanDerWaalsContact O-N 3.12Å; E468-S471 PolarHBondContact O-N 3.29Å; E468-S471 VanDerWaalsContact O-N 3.16Å; E468-S471 PolarHBondContact O-OG 3.33Å; R469-S471 VanDerWaalsContact C-N 3.33Å; R469-S471 PolarHBondContact O-N 3.24Å
472E93.9Very high96.3Very high63 Ų6318.5 Ų18.529%0.29413%0.126SC..THydrogen-bonded Turntrans-89.80.7175.7-63.8174164.500113.6K388 E468 R469 L470 K474K388-E472 HydrophobicContact CD-CG 4.44Å; K388-E472 IonicContact NZ-OE1 3.95Å; K388-E472 PolarHBondContact NZ-OE1 3.3Å; E468-E472 WeakPolarHBondContact O-CG 3.19Å; E468-E472 PolarHBondContact O-N 3.37Å; R469-E472 CarbonylContact O-C 3.53Å; R469-E472 PolarHBondContact O-N 2.7Å; R469-E472 VanDerWaalsContact O-N 3.16Å; L470-E472 PolarHBondContact O-N 3.12Å; E472-K474 HydrophobicContact CB-CD 4.38Å; E472-K474 HydrophobicContact CB-CG 4.19Å; E472-K474 WeakPolarHBondContact OE2-CD 3.49Å; E472-K474 WeakPolarHBondContact OE2-CE 3.47Å; E472-K474 IonicContact OE2-NZ 2.78Å; E472-K474 PolarHBondContact OE2-NZ 2.84Å
473G92.8Very high96.2Very high60 Ų6019 Ų1962%0.61913%0.129SC*.THydrogen-bonded Turntrans81.17.6-177.400000115.3R469 L470 A475R469-G473 PolarHBondContact O-N 3.15Å; L470-G473 PolarHBondContact O-N 3.08Å; G473-A475 PolarHBondContact O-N 3.46Å
474K93.7Very high96Very high14 Ų1423.1 Ų23.16%0.06115%0.145CC..  trans-80.2111.6-178.7-58.6178.1175.1164.10111.3P443 P444 D445 Q446 R469 E472 N477P443-K474 PolarHBondContact O-NZ 3.08Å; P444-K474 VanDerWaalsContact O-CE 3.31Å; P444-K474 WeakPolarHBondContact O-CE 3.47Å; P444-K474 PolarHBondContact O-NZ 3.22Å; D445-K474 WeakPolarHBondContact O-CE 3.32Å; Q446-K474 HydrophobicContact CG-CG 4.43Å; R469-K474 HydrophobicContact CB-CB 4.02Å; R469-K474 HydrophobicContact CB-CD 4.43Å; R469-K474 HydrophobicContact CG-CD 4.19Å; R469-K474 WeakPolarHBondContact O-CB 3.44Å; R469-K474 PolarHBondContact O-N 3.22Å; E472-K474 HydrophobicContact CB-CD 4.38Å; E472-K474 HydrophobicContact CB-CG 4.19Å; E472-K474 WeakPolarHBondContact OE2-CD 3.49Å; E472-K474 WeakPolarHBondContact OE2-CE 3.47Å; E472-K474 IonicContact OE2-NZ 2.78Å; E472-K474 PolarHBondContact OE2-NZ 2.84Å; K474-N477 PolarHBondContact O-ND2 3.1Å
475A89.7Confident95.9Very high48 Ų4824 Ų2440%0.39715%0.151SC..  trans-103.8-11.9-17200000115.3G473 N477 K504G473-A475 PolarHBondContact O-N 3.46Å; A475-N477 VanDerWaalsContact C-N 3.33Å; A475-N477 PolarHBondContact O-N 2.82Å; A475-N477 PolarHBondContact O-ND2 2.77Å; A475-K504 HydrophobicContact CB-CB 4.38Å; A475-K504 HydrophobicContact CB-CG 4.39Å; A475-K504 CarbonylContact O-C 3.51Å; A475-K504 VanDerWaalsContact O-O 3.08Å
476A94.4Very high95.9Very high39 Ų3927.5 Ų27.532%0.32217%0.167SC..  trans-78.978.2179.900000111.3P449 V450 R469P449-A476 WeakPolarHBondContact CA-O 3.06Å; P449-A476 HydrophobicContact CB-CB 4.03Å; P449-A476 HydrophobicContact CG-CB 4.2Å; V450-A476 PolarHBondContact N-O 2.9Å; V450-A476 VanDerWaalsContact N-O 3.07Å; R469-A476 PolarHBondContact NH2-O 3.28Å
477N97.4Very high95.8Very high4 Ų431.5 Ų31.52%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-129133.1-176.6-49.9-66.8000111.7V450 L466 R469 K474 A475 K504 L505 Q506V450-N477 HydrophobicContact CG2-CB 4.33Å; V450-N477 VanDerWaalsContact CG2-OD1 3.29Å; V450-N477 WeakPolarHBondContact CG2-OD1 3.37Å; L466-N477 HydrophobicContact CD2-CB 3.58Å; R469-N477 PolarHBondContact NE-OD1 3.04Å; R469-N477 PolarHBondContact NH2-OD1 2.86Å; K474-N477 PolarHBondContact O-ND2 3.1Å; A475-N477 VanDerWaalsContact C-N 3.33Å; A475-N477 PolarHBondContact O-N 2.82Å; A475-N477 PolarHBondContact O-ND2 2.77Å; N477-K504 PolarHBondContact ND2-O 3.49Å; N477-L505 HydrophobicContact CB-CD1 3.99Å; N477-Q506 PolarHBondContact O-N 2.93Å
478V98.6Very high95.7Very high4 Ų435 Ų352%0.02422%0.215CC..EExtended strand (participates in β ladder)trans-125.1128.1172.9-175.20000109.4V450 V451 L452 F480 Q506 F508 L535V450-V478 PolarHBondContact O-N 2.92Å; V451-V478 WeakPolarHBondContact CA-O 3.31Å; V451-V478 HydrophobicContact CG2-CB 4.31Å; L452-V478 PolarHBondContact N-O 3.33Å; V478-F480 HydrophobicContact CG1-CD2 4.12Å; V478-F480 HydrophobicContact CG1-CE2 3.56Å; V478-F480 HydrophobicContact CG1-CZ 4.18Å; V478-Q506 CarbonylContact C-O 3.48Å; V478-Q506 WeakPolarHBondContact CA-O 3.39Å; V478-Q506 HydrophobicContact CG1-CB 4.44Å; V478-Q506 HydrophobicContact CG2-CB 4.22Å; V478-F508 HydrophobicContact CG1-CD2 3.81Å; V478-F508 HydrophobicContact CG1-CE2 3.64Å; V478-L535 HydrophobicContact CG2-CD1 3.66Å
479L98.7Very high95.8Very high0 Ų034 Ų340%021%0.211CC..EExtended strand (participates in β ladder)trans-119.1123.3176.217662000110.6L452 V459 F462 L466 F481 W496 L505 Q506 L507 F508L452-L479 HydrophobicContact CB-CD1 3.86Å; L452-L479 CarbonylContact O-C 3.15Å; L452-L479 WeakPolarHBondContact O-CA 3.09Å; V459-L479 HydrophobicContact CG2-CD1 4.32Å; V459-L479 HydrophobicContact CG2-CD2 4.27Å; F462-L479 HydrophobicContact CB-CD1 4.49Å; F462-L479 HydrophobicContact CD2-CD1 4.5Å; L466-L479 HydrophobicContact CD1-CD2 4.18Å; L479-F481 HydrophobicContact CG-CB 4.32Å; L479-W496 HydrophobicContact CD2-CD2 4.16Å; L479-W496 HydrophobicContact CD2-CE3 4.23Å; L479-W496 HydrophobicContact CD2-CH2 4.21Å; L479-W496 HydrophobicContact CD2-CZ2 4.14Å; L479-W496 HydrophobicContact CD2-CZ3 4.27Å; L479-L505 HydrophobicContact CB-CD1 3.78Å; L479-Q506 PolarHBondContact N-O 3.32Å; L479-L507 HydrophobicContact CB-CD1 4.06Å; L479-L507 HydrophobicContact CD2-CD1 3.8Å; L479-L507 HydrophobicContact CG-CD1 3.9Å; L479-F508 PolarHBondContact O-N 3.39Å
480F98.7Very high95.8Very high0 Ų035 Ų350%022%0.216CC..EExtended strand (participates in β ladder)trans-99.1105164.3-65-93.3000108.6V451 L452 V453 G454 V478 F508 R524 V525 K528 L532V451-F480 HydrophobicContact CG1-CD2 3.88Å; V451-F480 HydrophobicContact CG1-CE2 3.69Å; L452-F480 PolarHBondContact O-N 2.96Å; V453-F480 HydrophobicContact CB-CB 4.39Å; V453-F480 HydrophobicContact CG1-CB 4.15Å; V453-F480 HydrophobicContact CG2-CB 4.1Å; V453-F480 HydrophobicContact CG2-CD2 4.05Å; V453-F480 HydrophobicContact CG2-CG 4.36Å; G454-F480 PolarHBondContact N-O 2.65Å; V478-F480 HydrophobicContact CG1-CD2 4.12Å; V478-F480 HydrophobicContact CG1-CE2 3.56Å; V478-F480 HydrophobicContact CG1-CZ 4.18Å; F480-F508 CarbonylContact C-O 3.56Å; F480-F508 WeakPolarHBondContact CA-O 3.38Å; F480-F508 HydrophobicContact CD1-CB 3.61Å; F480-F508 HydrophobicContact CD1-CD2 4Å; F480-F508 HydrophobicContact CD1-CG 4.17Å; F480-F508 HydrophobicContact CE1-CB 3.78Å; F480-F508 AromaticContact CE1-CD2 3.48Å; F480-F508 HydrophobicContact CE1-CD2 3.48Å; F480-F508 VanDerWaalsContact CE1-CD2 3.48Å; F480-F508 HydrophobicContact CE1-CE2 4.35Å; F480-F508 AromaticContact CE1-CG 3.83Å; F480-F508 HydrophobicContact CE1-CG 3.83Å; F480-F508 HydrophobicContact CE2-CD2 4.09Å; F480-F508 HydrophobicContact CG-CB 4.36Å; F480-F508 AromaticContact CZ-CD2 3.53Å; F480-F508 HydrophobicContact CZ-CD2 3.53Å; F480-F508 HydrophobicContact CZ-CE2 4.06Å; F480-F508 HydrophobicContact CZ-CG 4.34Å; F480-R524 HydrophobicContact CD1-CB 3.81Å; F480-R524 HydrophobicContact CE1-CB 4.11Å; F480-R524 WeakPolarHBondContact CE1-O 3.29Å; F480-V525 HydrophobicContact CD1-CG2 4.01Å; F480-V525 HydrophobicContact CD2-CG2 4.47Å; F480-V525 HydrophobicContact CE1-CG2 4.24Å; F480-V525 HydrophobicContact CG-CG2 4.14Å; F480-K528 HydrophobicContact CE1-CB 4.18Å; F480-K528 HydrophobicContact CE1-CG 4.06Å; F480-K528 HydrophobicContact CZ-CB 4Å; F480-K528 HydrophobicContact CZ-CG 4.25Å; F480-L532 HydrophobicContact CE2-CD2 4.02Å; F480-L532 HydrophobicContact CZ-CD2 4.23Å
481F98.3Very high95.9Very high0 Ų033.7 Ų33.70%021%0.209CC..EExtended strand (participates in β ladder)trans-106.1144.1177.9178.4-103000110.3G454 V459 L479 C483 F490 Y491 L507 F508 T509 A510G454-F481 WeakPolarHBondContact O-CD2 3.38Å; V459-F481 HydrophobicContact CB-CD2 3.91Å; V459-F481 HydrophobicContact CB-CE2 3.98Å; V459-F481 HydrophobicContact CG1-CD2 4.38Å; V459-F481 HydrophobicContact CG1-CE2 3.99Å; V459-F481 HydrophobicContact CG2-CD2 3.92Å; V459-F481 HydrophobicContact CG2-CE2 4.36Å; L479-F481 HydrophobicContact CG-CB 4.32Å; F481-C483 HydrophobicContact CE1-CB 3.75Å; F481-C483 HydrophobicContact CZ-CB 3.87Å; F481-F490 AromaticContact CD1-CD2 3.67Å; F481-F490 HydrophobicContact CD1-CD2 3.67Å; F481-F490 AromaticContact CD1-CE2 3.7Å; F481-F490 HydrophobicContact CD1-CE2 3.7Å; F481-F490 AromaticContact CE1-CD2 3.44Å; F481-F490 HydrophobicContact CE1-CD2 3.44Å; F481-F490 VanDerWaalsContact CE1-CD2 3.44Å; F481-F490 AromaticContact CE1-CE2 3.98Å; F481-F490 HydrophobicContact CE1-CE2 3.98Å; F481-F490 HydrophobicContact CE1-CG 4.39Å; F481-F490 HydrophobicContact CZ-CD2 4.36Å; F481-Y491 AromaticContact CE2-CD2 3.98Å; F481-Y491 HydrophobicContact CE2-CD2 3.98Å; F481-Y491 AromaticContact CZ-CD2 3.8Å; F481-Y491 HydrophobicContact CZ-CD2 3.8Å; F481-Y491 HydrophobicContact CZ-CE2 4.29Å; F481-Y491 HydrophobicContact CZ-CG 4.38Å; F481-L507 HydrophobicContact CB-CD1 4.4Å; F481-F508 PolarHBondContact N-O 2.84Å; F481-T509 CarbonylContact O-C 3.5Å; F481-T509 VanDerWaalsContact O-CA 3.29Å; F481-T509 WeakPolarHBondContact O-CA 3.45Å; F481-A510 PolarHBondContact O-N 3.31Å
482G96.8Very high96Very high7 Ų731.9 Ų31.97%0.07219%0.193CC..EExtended strand (participates in β ladder)trans-140138.8175.800000112.3P455 G456 A510P455-G482 CarbonylContact C-O 3.5Å; P455-G482 VanDerWaalsContact CA-O 3.3Å; P455-G482 WeakPolarHBondContact CA-O 3.33Å; G456-G482 PolarHBondContact N-O 3.01Å; G482-A510 CarbonylContact C-O 3.59Å; G482-A510 WeakPolarHBondContact CA-O 3.43Å
483C96.4Very high96.1Very high10 Ų1035.4 Ų35.47%0.06820%0.204CC..EExtended strand (participates in β ladder)trans-148-172.5173.968.10000110.1F481 D489 A510 F511 S512F481-C483 HydrophobicContact CE1-CB 3.75Å; F481-C483 HydrophobicContact CZ-CB 3.87Å; C483-D489 HydrophobicContact CB-CB 4.43Å; C483-D489 VanDerWaalsContact CB-O 3.28Å; C483-D489 WeakPolarHBondContact CB-O 3.46Å; C483-D489 WeakPolarHBondContact CB-OD2 3.44Å; C483-D489 PolarHBondContact SG-O 3.07Å; C483-A510 PolarHBondContact N-O 3.33Å; C483-F511 WeakPolarHBondContact SG-CD1 3.35Å; C483-S512 PolarHBondContact O-N 2.84Å; C483-S512 PolarHBondContact O-OG 3.37Å; C483-S512 VanDerWaalsContact O-OG 3.11Å
484R95.4Very high96.3Very high99 Ų9937 Ų3737%0.37421%0.205SC..SBendtrans-78.4-48.7177.7-67.8-166179.9-173.10.1111.6F223 D489 S512 R513F223-R484 VanDerWaalsContact CE1-NE 3.35Å; F223-R484 VanDerWaalsContact CZ-NH1 3.32Å; F223-R484 VanDerWaalsContact CZ-NH2 3.27Å; R484-D489 WeakPolarHBondContact CB-OD2 3.29Å; R484-D489 PolarHBondContact N-OD1 2.96Å; R484-D489 PolarHBondContact N-OD2 3.03Å; R484-S512 WeakPolarHBondContact CA-OG 3.23Å; R484-S512 PolarHBondContact O-N 2.81Å; R484-R513 HydrophobicContact CB-CB 4.36Å; R484-R513 HydrophobicContact CB-CG 3.8Å; R484-R513 HydrophobicContact CG-CG 4.13Å; R484-R513 WeakPolarHBondContact O-CA 3.37Å; R484-R513 VanDerWaalsContact O-CB 3.25Å; R484-R513 WeakPolarHBondContact O-CB 3.43Å; R484-R513 PolarHBondContact O-N 2.79Å
485S95.8Very high96.4Very high17 Ų1738.7 Ų38.712%0.11921%0.214CC..  trans-143.4137.9-173-179.60000111.8A487 K488 D489 D514S485-A487 PolarHBondContact O-N 3.01Å; S485-A487 PolarHBondContact OG-N 3Å; S485-K488 PolarHBondContact O-N 3.39Å; S485-D489 PolarHBondContact N-OD1 3.25Å; S485-D489 PolarHBondContact O-N 3.23Å; S485-D489 VanDerWaalsContact O-N 3.15Å; S485-D514 WeakPolarHBondContact CA-OD1 3.36Å; S485-D514 WeakPolarHBondContact CB-OD1 3.38Å; S485-D514 PolarHBondContact OG-OD1 3.36Å
486E96.1Very high96.8Very high75 Ų7536.4 Ų36.435%0.3520%0.195SC..Hα-helixtrans-56.6-40.9175.9-170.4179.6171.600111.7F490 R493 F511 D514E486-F490 HydrophobicContact CG-CD1 3.82Å; E486-F490 HydrophobicContact CG-CE1 4.48Å; E486-F490 WeakPolarHBondContact O-CB 3.42Å; E486-R493 IonicContact OE1-CZ 3.46Å; E486-R493 IonicContact OE1-NE 3.76Å; E486-R493 IonicContact OE1-NH2 2.77Å; E486-R493 PolarHBondContact OE1-NH2 3.4Å; E486-F511 HydrophobicContact CB-CD1 4.12Å; E486-F511 HydrophobicContact CB-CD2 3.88Å; E486-F511 HydrophobicContact CB-CE1 3.89Å; E486-F511 HydrophobicContact CB-CE2 3.63Å; E486-F511 HydrophobicContact CB-CG 4.13Å; E486-F511 HydrophobicContact CB-CZ 3.64Å; E486-F511 HydrophobicContact CG-CD2 4.49Å; E486-F511 HydrophobicContact CG-CE1 4.14Å; E486-F511 HydrophobicContact CG-CE2 3.75Å; E486-F511 HydrophobicContact CG-CZ 3.54Å; E486-D514 WeakPolarHBondContact CB-OD2 3.45Å; E486-D514 PolarHBondContact N-OD2 3.08Å
487A96Very high96.9Very high85 Ų8537.4 Ų37.470%0.70220%0.203SC*.Hα-helixtrans-77.5-23.8-174.300000113.5S485S485-A487 PolarHBondContact O-N 3.01Å; S485-A487 PolarHBondContact OG-N 3Å
488K95.8Very high96.9Very high85 Ų8540.1 Ų40.137%0.3723%0.226SC..Hα-helixtrans-112.9-33.4-166-61.9-169.8175.7-167.20115.3T218 D219 T221 H222 S485T218-K488 WeakPolarHBondContact CA-O 3.22Å; D219-K488 HydrophobicContact CB-CB 4.05Å; D219-K488 HydrophobicContact CB-CG 4.1Å; D219-K488 PolarHBondContact N-O 3.37Å; T221-K488 PolarHBondContact OG1-NZ 3.11Å; H222-K488 HydrophobicContact CB-CB 4.26Å; S485-K488 PolarHBondContact O-N 3.39Å
489D96.6Very high96.9Very high7 Ų741 Ų414%0.03723%0.23CC..Hα-helixtrans-142.228.4-173.160.9-39.7000113.1T218 H222 C483 R484 S485 Y491T218-D489 HydrophobicContact CG2-CB 3.97Å; H222-D489 IonicContact CE1-OD1 3.49Å; H222-D489 PolarHBondContact CE1-OD1 3.25Å; H222-D489 IonicContact CE1-OD2 3.51Å; H222-D489 IonicContact NE2-OD2 3.58Å; C483-D489 HydrophobicContact CB-CB 4.43Å; C483-D489 VanDerWaalsContact CB-O 3.28Å; C483-D489 WeakPolarHBondContact CB-O 3.46Å; C483-D489 WeakPolarHBondContact CB-OD2 3.44Å; C483-D489 PolarHBondContact SG-O 3.07Å; R484-D489 WeakPolarHBondContact CB-OD2 3.29Å; R484-D489 PolarHBondContact N-OD1 2.96Å; R484-D489 PolarHBondContact N-OD2 3.03Å; S485-D489 PolarHBondContact N-OD1 3.25Å; S485-D489 PolarHBondContact O-N 3.23Å; S485-D489 VanDerWaalsContact O-N 3.15Å; D489-Y491 HydrophobicContact CB-CE1 4.02Å; D489-Y491 WeakPolarHBondContact O-CE1 3.47Å; D489-Y491 PolarHBondContact O-N 3.35Å
490F97.1Very high96.8Very high27 Ų2743.9 Ų43.912%0.11825%0.248CC..  trans-84.784.7170.4-171.3-169.2000111.9F481 E486 R493 W496 L507 T509 F511F481-F490 AromaticContact CD1-CD2 3.67Å; F481-F490 HydrophobicContact CD1-CD2 3.67Å; F481-F490 AromaticContact CD1-CE2 3.7Å; F481-F490 HydrophobicContact CD1-CE2 3.7Å; F481-F490 AromaticContact CE1-CD2 3.44Å; F481-F490 HydrophobicContact CE1-CD2 3.44Å; F481-F490 VanDerWaalsContact CE1-CD2 3.44Å; F481-F490 AromaticContact CE1-CE2 3.98Å; F481-F490 HydrophobicContact CE1-CE2 3.98Å; F481-F490 HydrophobicContact CE1-CG 4.39Å; F481-F490 HydrophobicContact CZ-CD2 4.36Å; E486-F490 HydrophobicContact CG-CD1 3.82Å; E486-F490 HydrophobicContact CG-CE1 4.48Å; E486-F490 WeakPolarHBondContact O-CB 3.42Å; F490-R493 HydrophobicContact CD1-CB 4.04Å; F490-R493 HydrophobicContact CD1-CG 3.8Å; F490-R493 HydrophobicContact CE1-CB 4.24Å; F490-R493 HydrophobicContact CE1-CG 3.76Å; F490-R493 HydrophobicContact CG-CB 4.31Å; F490-R493 HydrophobicContact CZ-CG 4.47Å; F490-W496 AromaticContact CE2-CD1 3.59Å; F490-L507 HydrophobicContact CZ-CD2 4.07Å; F490-T509 HydrophobicContact CE1-CG2 4.43Å; F490-T509 HydrophobicContact CE2-CG2 4.06Å; F490-T509 HydrophobicContact CZ-CG2 3.75Å; F490-F511 HydrophobicContact CB-CE1 4.4Å; F490-F511 HydrophobicContact CD1-CE1 4.2Å; F490-F511 AromaticContact CD1-CZ 3.98Å; F490-F511 HydrophobicContact CD1-CZ 3.98Å; F490-F511 HydrophobicContact CE1-CZ 4.09Å; F490-F511 HydrophobicContact CG-CE1 4.15Å; F490-F511 HydrophobicContact CG-CZ 4.38Å
491Y96.3Very high96.7Very high5 Ų548.2 Ų48.22%0.0228%0.284CS..THydrogen-bonded Turntrans-60.6142.7-177.8-44.3-44.2000112.5V217 T218 V226 L397 V459 F481 D489 R493 W496V217-Y491 HydrophobicContact CB-CD1 4.47Å; V217-Y491 HydrophobicContact CG2-CD1 3.79Å; V217-Y491 HydrophobicContact CG2-CE1 4.13Å; T218-Y491 HydrophobicContact CG2-CE1 3.77Å; V226-Y491 HydrophobicContact CB-CE1 4.21Å; V226-Y491 HydrophobicContact CG1-CE1 4.17Å; V226-Y491 HydrophobicContact CG2-CE1 4.48Å; V226-Y491 WeakPolarHBondContact CG2-OH 3.48Å; L397-Y491 HydrophobicContact CD2-CD2 3.97Å; L397-Y491 HydrophobicContact CD2-CE2 4.43Å; L397-Y491 HydrophobicContact CD2-CG 4.47Å; V459-Y491 HydrophobicContact CG1-CD2 4.28Å; F481-Y491 AromaticContact CE2-CD2 3.98Å; F481-Y491 HydrophobicContact CE2-CD2 3.98Å; F481-Y491 AromaticContact CZ-CD2 3.8Å; F481-Y491 HydrophobicContact CZ-CD2 3.8Å; F481-Y491 HydrophobicContact CZ-CE2 4.29Å; F481-Y491 HydrophobicContact CZ-CG 4.38Å; D489-Y491 HydrophobicContact CB-CE1 4.02Å; D489-Y491 WeakPolarHBondContact O-CE1 3.47Å; D489-Y491 PolarHBondContact O-N 3.35Å; Y491-R493 PolarHBondContact O-N 3.22Å; Y491-R493 VanDerWaalsContact O-N 3.14Å; Y491-W496 PolarHBondContact O-NE1 3.44Å
492F97.1Very high96.6Very high20 Ų2051.2 Ų51.29%0.08831%0.308CS..THydrogen-bonded Turntrans55.527.2173.4-40.9-74.4000115.2L228 L397 V459 R463 S494 E495 W496L228-F492 HydrophobicContact CD1-CE1 3.98Å; L228-F492 HydrophobicContact CD1-CZ 4.02Å; L228-F492 HydrophobicContact CD2-CE1 3.99Å; L397-F492 HydrophobicContact CD1-CE2 4.42Å; L397-F492 HydrophobicContact CD1-CZ 4.08Å; L397-F492 HydrophobicContact CD2-CE2 4Å; L397-F492 HydrophobicContact CD2-CZ 4.34Å; V459-F492 HydrophobicContact CG1-CD2 4.3Å; V459-F492 HydrophobicContact CG1-CE2 4.04Å; R463-F492 VanDerWaalsContact CD-CE1 3.49Å; R463-F492 VanDerWaalsContact CD-CZ 3.45Å; F492-S494 PolarHBondContact O-N 2.77Å; F492-S494 VanDerWaalsContact O-N 3.09Å; F492-E495 HydrophobicContact CB-CB 4.21Å; F492-E495 HydrophobicContact CB-CG 4.43Å; F492-E495 WeakPolarHBondContact CD1-OE1 3.31Å; F492-E495 WeakPolarHBondContact O-CB 3.37Å; F492-E495 PolarHBondContact O-N 3.16Å; F492-W496 HydrophobicContact CB-CD2 4.43Å; F492-W496 HydrophobicContact CB-CZ2 3.88Å; F492-W496 AromaticContact CD2-CZ2 3.79Å; F492-W496 HydrophobicContact CD2-CZ2 3.79Å; F492-W496 HydrophobicContact CG-CZ2 4.23Å; F492-W496 VanDerWaalsContact O-CD1 3.28Å; F492-W496 PolarHBondContact O-N 3.06Å; F492-W496 VanDerWaalsContact O-N 3.07Å
493R96.2Very high96.6Very high138 Ų13853.8 Ų53.852%0.52134%0.335SS..Hα-helixtrans-44.6-45.4-179-176.6178.4-169.5-169.37.7113.8E486 F490 Y491 W496 A497E486-R493 IonicContact OE1-CZ 3.46Å; E486-R493 IonicContact OE1-NE 3.76Å; E486-R493 IonicContact OE1-NH2 2.77Å; E486-R493 PolarHBondContact OE1-NH2 3.4Å; F490-R493 HydrophobicContact CD1-CB 4.04Å; F490-R493 HydrophobicContact CD1-CG 3.8Å; F490-R493 HydrophobicContact CE1-CB 4.24Å; F490-R493 HydrophobicContact CE1-CG 3.76Å; F490-R493 HydrophobicContact CG-CB 4.31Å; F490-R493 HydrophobicContact CZ-CG 4.47Å; Y491-R493 PolarHBondContact O-N 3.22Å; Y491-R493 VanDerWaalsContact O-N 3.14Å; R493-W496 PolarHBondContact O-N 3.48Å; R493-A497 WeakPolarHBondContact O-CB 3.04Å; R493-A497 PolarHBondContact O-N 2.86Å
494S96.7Very high96.5Very high92 Ų9257.6 Ų57.664%0.64335%0.35SS*.Hα-helixtrans-66.8-39.1-179.951.30000113F492 A498F492-S494 PolarHBondContact O-N 2.77Å; F492-S494 VanDerWaalsContact O-N 3.09Å; S494-A498 WeakPolarHBondContact O-CB 3.15Å; S494-A498 PolarHBondContact O-N 2.85Å; S494-A498 VanDerWaalsContact O-N 3.08Å
495E96.5Very high96.7Very high51 Ų5153 Ų5324%0.23833%0.333CS..Hα-helixtrans-64.7-46176.4-64.5-179.4-129.900110.3R463 F492 A498 M499R463-E495 IonicContact CZ-OE1 3.94Å; R463-E495 IonicContact CZ-OE2 3.37Å; R463-E495 IonicContact NE-OE1 2.91Å; R463-E495 PolarHBondContact NE-OE1 2.94Å; R463-E495 VanDerWaalsContact NE-OE1 3.14Å; R463-E495 IonicContact NE-OE2 3.14Å; R463-E495 PolarHBondContact NE-OE2 2.89Å; R463-E495 IonicContact NH2-OE1 3.15Å; R463-E495 PolarHBondContact NH2-OE1 3.26Å; R463-E495 IonicContact NH2-OE2 2.77Å; R463-E495 PolarHBondContact NH2-OE2 3.1Å; F492-E495 HydrophobicContact CB-CB 4.21Å; F492-E495 HydrophobicContact CB-CG 4.43Å; F492-E495 WeakPolarHBondContact CD1-OE1 3.31Å; F492-E495 WeakPolarHBondContact O-CB 3.37Å; F492-E495 PolarHBondContact O-N 3.16Å; E495-A498 PolarHBondContact O-N 2.84Å; E495-M499 HydrophobicContact CB-CE 4.35Å; E495-M499 VanDerWaalsContact O-CG 3.26Å; E495-M499 WeakPolarHBondContact O-CG 3.35Å; E495-M499 PolarHBondContact O-N 3.27Å
496W97.6Very high96.8Very high0 Ų057 Ų570%035%0.35CS..Hα-helixtrans-62.8-45.2177.8-50.8139.4000112.5V459 R463 L466 L479 F490 Y491 F492 R493 A498 M499 T500 L505 L507V459-W496 HydrophobicContact CG2-CH2 4.23Å; V459-W496 HydrophobicContact CG2-CZ2 3.68Å; R463-W496 HydrophobicContact CB-CH2 3.77Å; R463-W496 HydrophobicContact CB-CZ2 4.45Å; R463-W496 HydrophobicContact CG-CH2 3.91Å; L466-W496 HydrophobicContact CD1-CE3 4.19Å; L466-W496 HydrophobicContact CD1-CH2 4.03Å; L466-W496 HydrophobicContact CD1-CZ3 3.44Å; L466-W496 VanDerWaalsContact CD1-CZ3 3.44Å; L479-W496 HydrophobicContact CD2-CD2 4.16Å; L479-W496 HydrophobicContact CD2-CE3 4.23Å; L479-W496 HydrophobicContact CD2-CH2 4.21Å; L479-W496 HydrophobicContact CD2-CZ2 4.14Å; L479-W496 HydrophobicContact CD2-CZ3 4.27Å; F490-W496 AromaticContact CE2-CD1 3.59Å; Y491-W496 PolarHBondContact O-NE1 3.44Å; F492-W496 HydrophobicContact CB-CD2 4.43Å; F492-W496 HydrophobicContact CB-CZ2 3.88Å; F492-W496 AromaticContact CD2-CZ2 3.79Å; F492-W496 HydrophobicContact CD2-CZ2 3.79Å; F492-W496 HydrophobicContact CG-CZ2 4.23Å; F492-W496 VanDerWaalsContact O-CD1 3.28Å; F492-W496 PolarHBondContact O-N 3.06Å; F492-W496 VanDerWaalsContact O-N 3.07Å; R493-W496 PolarHBondContact O-N 3.48Å; W496-A498 VanDerWaalsContact C-N 3.31Å; W496-A498 PolarHBondContact O-N 2.83Å; W496-M499 HydrophobicContact CE3-CE 4.45Å; W496-M499 HydrophobicContact CE3-SD 3.87Å; W496-M499 HydrophobicContact CZ3-CE 4.25Å; W496-M499 HydrophobicContact CZ3-SD 3.96Å; W496-M499 PolarHBondContact O-N 3.45Å; W496-T500 PolarHBondContact O-N 3Å; W496-T500 PolarHBondContact O-OG1 2.91Å; W496-L505 HydrophobicContact CE3-CD2 3.94Å; W496-L507 HydrophobicContact CB-CD2 3.85Å; W496-L507 HydrophobicContact CG-CD2 4.49Å
497A97.7Very high96.9Very high59 Ų5955.5 Ų55.549%0.48834%0.344SS..Hα-helixtrans-58.9-43.3178.100000111.7R493 T500 A501R493-A497 WeakPolarHBondContact O-CB 3.04Å; R493-A497 PolarHBondContact O-N 2.86Å; A497-T500 PolarHBondContact O-N 2.97Å; A497-A501 VanDerWaalsContact O-CB 3.29Å; A497-A501 WeakPolarHBondContact O-CB 3.24Å; A497-A501 PolarHBondContact O-N 3.46Å
498A97.4Very high97Very high62 Ų6253.2 Ų53.251%0.51232%0.318SS..Hα-helixtrans-63.8-43177.100000112.3S494 E495 W496 A502S494-A498 WeakPolarHBondContact O-CB 3.15Å; S494-A498 PolarHBondContact O-N 2.85Å; S494-A498 VanDerWaalsContact O-N 3.08Å; E495-A498 PolarHBondContact O-N 2.84Å; W496-A498 VanDerWaalsContact C-N 3.31Å; W496-A498 PolarHBondContact O-N 2.83Å; A498-A502 WeakPolarHBondContact O-CB 3.46Å; A498-A502 PolarHBondContact O-N 2.7Å; A498-A502 VanDerWaalsContact O-N 3.07Å
499M97.2Very high97.1Very high23 Ų2350.6 Ų50.611%0.11331%0.31CS..Hα-helixtrans-66.6-39.1178.8-65.2175.7-170.100112.4L466 L470 E495 W496 A502 G503 K504 L505L466-M499 HydrophobicContact CB-SD 4.29Å; L470-M499 HydrophobicContact CD1-CB 4.29Å; L470-M499 HydrophobicContact CD1-CE 3.87Å; L470-M499 HydrophobicContact CD1-CG 3.51Å; L470-M499 HydrophobicContact CD1-SD 3.55Å; L470-M499 VanDerWaalsContact CD1-SD 3.55Å; E495-M499 HydrophobicContact CB-CE 4.35Å; E495-M499 VanDerWaalsContact O-CG 3.26Å; E495-M499 WeakPolarHBondContact O-CG 3.35Å; E495-M499 PolarHBondContact O-N 3.27Å; W496-M499 HydrophobicContact CE3-CE 4.45Å; W496-M499 HydrophobicContact CE3-SD 3.87Å; W496-M499 HydrophobicContact CZ3-CE 4.25Å; W496-M499 HydrophobicContact CZ3-SD 3.96Å; W496-M499 PolarHBondContact O-N 3.45Å; M499-A502 PolarHBondContact O-N 2.87Å; M499-G503 PolarHBondContact O-N 3.23Å; M499-K504 PolarHBondContact O-N 3.31Å; M499-L505 HydrophobicContact CB-CB 3.7Å; M499-L505 HydrophobicContact CB-CD2 3.99Å; M499-L505 PolarHBondContact O-N 2.81Å; M499-L505 HydrophobicContact SD-CD2 4.22Å
500T97.4Very high97.1Very high60 Ų6050.3 Ų50.337%0.36831%0.308SS..Hα-helixtrans-70.3-42.3176.7-64.50000111.8W496 A497 A502 G503 L505W496-T500 PolarHBondContact O-N 3Å; W496-T500 PolarHBondContact O-OG1 2.91Å; A497-T500 PolarHBondContact O-N 2.97Å; T500-A502 PolarHBondContact O-N 2.95Å; T500-G503 PolarHBondContact O-N 2.76Å; T500-L505 WeakPolarHBondContact CA-O 3.45Å; T500-L505 WeakPolarHBondContact CB-O 3.36Å; T500-L505 PolarHBondContact OG1-O 3.04Å
501A97.3Very high97.1Very high91 Ų9150.1 Ų50.175%0.75231%0.307SS*.Hα-helixtrans-61.1-33.3174.900000112.3A497 G503A497-A501 VanDerWaalsContact O-CB 3.29Å; A497-A501 WeakPolarHBondContact O-CB 3.24Å; A497-A501 PolarHBondContact O-N 3.46Å; A501-G503 PolarHBondContact O-N 3.22Å
502A95.9Very high97.1Very high63 Ų6350.4 Ų50.452%0.52131%0.31SS..THydrogen-bonded Turntrans-77.10.3174.200000114.2A498 M499 T500 K504A498-A502 WeakPolarHBondContact O-CB 3.46Å; A498-A502 PolarHBondContact O-N 2.7Å; A498-A502 VanDerWaalsContact O-N 3.07Å; M499-A502 PolarHBondContact O-N 2.87Å; T500-A502 PolarHBondContact O-N 2.95Å; A502-K504 HydrophobicContact CB-CD 4.36Å; A502-K504 HydrophobicContact CB-CG 4.04Å; A502-K504 WeakPolarHBondContact O-CG 3.46Å; A502-K504 PolarHBondContact O-N 2.79Å
503G95.7Very high96.9Very high61 Ų6155.8 Ų55.863%0.62933%0.33SS*.THydrogen-bonded Turntrans68.814.6-177.600000114.5M499 T500 A501M499-G503 PolarHBondContact O-N 3.23Å; T500-G503 PolarHBondContact O-N 2.76Å; A501-G503 PolarHBondContact O-N 3.22Å
504K95.8Very high96.8Very high89 Ų8952.6 Ų52.639%0.38732%0.323SS..SBendtrans-99.7-4.2-175.4-51.7-172.7-177.4178.20114L470 A475 N477 M499 A502L470-K504 HydrophobicContact CD2-CB 3.42Å; L470-K504 VanDerWaalsContact CD2-CB 3.42Å; L470-K504 HydrophobicContact CD2-CD 3.71Å; L470-K504 HydrophobicContact CD2-CG 4.17Å; A475-K504 HydrophobicContact CB-CB 4.38Å; A475-K504 HydrophobicContact CB-CG 4.39Å; A475-K504 CarbonylContact O-C 3.51Å; A475-K504 VanDerWaalsContact O-O 3.08Å; N477-K504 PolarHBondContact ND2-O 3.49Å; M499-K504 PolarHBondContact O-N 3.31Å; A502-K504 HydrophobicContact CB-CD 4.36Å; A502-K504 HydrophobicContact CB-CG 4.04Å; A502-K504 WeakPolarHBondContact O-CG 3.46Å; A502-K504 PolarHBondContact O-N 2.79Å
505L97.7Very high96.7Very high4 Ų452.1 Ų52.12%0.02131%0.311CS..  trans-146.3123.4179.5178.664.7000111.2L466 N477 L479 W496 M499 T500L466-L505 HydrophobicContact CD1-CD1 4.18Å; L466-L505 HydrophobicContact CD1-CD2 4.34Å; L466-L505 HydrophobicContact CD2-CD1 3.93Å; N477-L505 HydrophobicContact CB-CD1 3.99Å; L479-L505 HydrophobicContact CB-CD1 3.78Å; W496-L505 HydrophobicContact CE3-CD2 3.94Å; M499-L505 HydrophobicContact CB-CB 3.7Å; M499-L505 HydrophobicContact CB-CD2 3.99Å; M499-L505 PolarHBondContact O-N 2.81Å; M499-L505 HydrophobicContact SD-CD2 4.22Å; T500-L505 WeakPolarHBondContact CA-O 3.45Å; T500-L505 WeakPolarHBondContact CB-O 3.36Å; T500-L505 PolarHBondContact OG1-O 3.04Å
506Q98.2Very high96.4Very high100 Ų10058.8 Ų58.847%0.46734%0.342SS..EExtended strand (participates in β ladder)trans-88.8119.9162.4-59.3-176.523.300109.1N477 V478 L479 F508N477-Q506 PolarHBondContact O-N 2.93Å; V478-Q506 CarbonylContact C-O 3.48Å; V478-Q506 WeakPolarHBondContact CA-O 3.39Å; V478-Q506 HydrophobicContact CG1-CB 4.44Å; V478-Q506 HydrophobicContact CG2-CB 4.22Å; L479-Q506 PolarHBondContact N-O 3.32Å; Q506-F508 HydrophobicContact CB-CE2 4.36Å
507L98.3Very high96.1Very high44 Ų4465.9 Ų65.923%0.2338%0.375CS..EExtended strand (participates in β ladder)trans-111.2128.8-176.1-179.469.1000111L479 F481 F490 W496 T509L479-L507 HydrophobicContact CB-CD1 4.06Å; L479-L507 HydrophobicContact CD2-CD1 3.8Å; L479-L507 HydrophobicContact CG-CD1 3.9Å; F481-L507 HydrophobicContact CB-CD1 4.4Å; F490-L507 HydrophobicContact CZ-CD2 4.07Å; W496-L507 HydrophobicContact CB-CD2 3.85Å; W496-L507 HydrophobicContact CG-CD2 4.49Å; L507-T509 HydrophobicContact CD1-CG2 4.34Å; L507-T509 HydrophobicContact CD2-CG2 4.03Å; L507-T509 HydrophobicContact CG-CG2 4Å
508F98.4Very high96Very high36 Ų3667.5 Ų67.516%0.15837%0.371CS..EExtended strand (participates in β ladder)trans-122.3117.4171.8-57.8-65.2000109.6V478 L479 F480 F481 Q506 K528 L531V478-F508 HydrophobicContact CG1-CD2 3.81Å; V478-F508 HydrophobicContact CG1-CE2 3.64Å; L479-F508 PolarHBondContact O-N 3.39Å; F480-F508 CarbonylContact C-O 3.56Å; F480-F508 WeakPolarHBondContact CA-O 3.38Å; F480-F508 HydrophobicContact CD1-CB 3.61Å; F480-F508 HydrophobicContact CD1-CD2 4Å; F480-F508 HydrophobicContact CD1-CG 4.17Å; F480-F508 HydrophobicContact CE1-CB 3.78Å; F480-F508 AromaticContact CE1-CD2 3.48Å; F480-F508 HydrophobicContact CE1-CD2 3.48Å; F480-F508 VanDerWaalsContact CE1-CD2 3.48Å; F480-F508 HydrophobicContact CE1-CE2 4.35Å; F480-F508 AromaticContact CE1-CG 3.83Å; F480-F508 HydrophobicContact CE1-CG 3.83Å; F480-F508 HydrophobicContact CE2-CD2 4.09Å; F480-F508 HydrophobicContact CG-CB 4.36Å; F480-F508 AromaticContact CZ-CD2 3.53Å; F480-F508 HydrophobicContact CZ-CD2 3.53Å; F480-F508 HydrophobicContact CZ-CE2 4.06Å; F480-F508 HydrophobicContact CZ-CG 4.34Å; F481-F508 PolarHBondContact N-O 2.84Å; Q506-F508 HydrophobicContact CB-CE2 4.36Å; F508-K528 HydrophobicContact CD1-CD 4.24Å; F508-K528 HydrophobicContact CD1-CG 4.2Å; F508-K528 HydrophobicContact CD2-CG 4.28Å; F508-K528 HydrophobicContact CE1-CD 3.72Å; F508-K528 HydrophobicContact CE1-CG 4.07Å; F508-K528 HydrophobicContact CE2-CD 4.4Å; F508-K528 HydrophobicContact CE2-CG 4.12Å; F508-K528 HydrophobicContact CG-CG 4.31Å; F508-K528 HydrophobicContact CZ-CD 3.8Å; F508-K528 HydrophobicContact CZ-CG 4.02Å; F508-L531 HydrophobicContact CE2-CD2 3.7Å; F508-L531 HydrophobicContact CZ-CD2 3.88Å
509T97.9Very high95.9Very high31 Ų3165.9 Ų65.919%0.1936%0.355CS..EExtended strand (participates in β ladder)trans-104.4143.3-177.754.80000112.5F481 F490 L507 F511 R524F481-T509 CarbonylContact O-C 3.5Å; F481-T509 VanDerWaalsContact O-CA 3.29Å; F481-T509 WeakPolarHBondContact O-CA 3.45Å; F490-T509 HydrophobicContact CE1-CG2 4.43Å; F490-T509 HydrophobicContact CE2-CG2 4.06Å; F490-T509 HydrophobicContact CZ-CG2 3.75Å; L507-T509 HydrophobicContact CD1-CG2 4.34Å; L507-T509 HydrophobicContact CD2-CG2 4.03Å; L507-T509 HydrophobicContact CG-CG2 4Å; T509-F511 HydrophobicContact CG2-CE1 4.39Å; T509-F511 HydrophobicContact CG2-CZ 3.94Å; T509-F511 WeakPolarHBondContact OG1-CE2 3.05Å; T509-R524 PolarHBondContact O-NE 3.45Å; T509-R524 PolarHBondContact O-NH2 2.84Å
510A97.4Very high95.8Very high1 Ų169 Ų691%0.00837%0.366CS..EExtended strand (participates in β ladder)trans-123.6102.7173.600000110.1F481 G482 C483 V519 Y520 V521 R524F481-A510 PolarHBondContact O-N 3.31Å; G482-A510 CarbonylContact C-O 3.59Å; G482-A510 WeakPolarHBondContact CA-O 3.43Å; C483-A510 PolarHBondContact N-O 3.33Å; A510-V519 HydrophobicContact CB-CG1 4.1Å; A510-Y520 VanDerWaalsContact CB-C 3.43Å; A510-V521 HydrophobicContact CB-CG1 4.2Å; A510-R524 HydrophobicContact CB-CG 3.99Å
511F97.1Very high95.8Very high23 Ų2366.4 Ų66.410%0.10135%0.35CS..EExtended strand (participates in β ladder)trans-96.3108175.9-52.9-53.3000109.1C483 E486 F490 T509 R513 D514 Q515C483-F511 WeakPolarHBondContact SG-CD1 3.35Å; E486-F511 HydrophobicContact CB-CD1 4.12Å; E486-F511 HydrophobicContact CB-CD2 3.88Å; E486-F511 HydrophobicContact CB-CE1 3.89Å; E486-F511 HydrophobicContact CB-CE2 3.63Å; E486-F511 HydrophobicContact CB-CG 4.13Å; E486-F511 HydrophobicContact CB-CZ 3.64Å; E486-F511 HydrophobicContact CG-CD2 4.49Å; E486-F511 HydrophobicContact CG-CE1 4.14Å; E486-F511 HydrophobicContact CG-CE2 3.75Å; E486-F511 HydrophobicContact CG-CZ 3.54Å; F490-F511 HydrophobicContact CB-CE1 4.4Å; F490-F511 HydrophobicContact CD1-CE1 4.2Å; F490-F511 AromaticContact CD1-CZ 3.98Å; F490-F511 HydrophobicContact CD1-CZ 3.98Å; F490-F511 HydrophobicContact CE1-CZ 4.09Å; F490-F511 HydrophobicContact CG-CE1 4.15Å; F490-F511 HydrophobicContact CG-CZ 4.38Å; T509-F511 HydrophobicContact CG2-CE1 4.39Å; T509-F511 HydrophobicContact CG2-CZ 3.94Å; T509-F511 WeakPolarHBondContact OG1-CE2 3.05Å; F511-R513 VanDerWaalsContact C-N 3.28Å; F511-R513 PolarHBondContact O-N 3.35Å; F511-D514 HydrophobicContact CB-CB 4.11Å; F511-D514 WeakPolarHBondContact CB-OD2 3.46Å; F511-D514 WeakPolarHBondContact CG-OD2 3.33Å; F511-Q515 PolarHBondContact O-NE2 3.01Å; F511-Q515 PolarHBondContact O-OE1 3.06Å
512S95.1Very high95.8Very high11 Ų1163.5 Ų63.58%0.07732%0.321CS..SBendtrans-78-8.1-168.857.60000115C483 R484 V519C483-S512 PolarHBondContact O-N 2.84Å; C483-S512 PolarHBondContact O-OG 3.37Å; C483-S512 VanDerWaalsContact O-OG 3.11Å; R484-S512 WeakPolarHBondContact CA-OG 3.23Å; R484-S512 PolarHBondContact O-N 2.81Å; S512-V519 WeakPolarHBondContact CA-O 3.48Å
513R94.4Very high95.8Very high132 Ų13263.5 Ų63.550%0.49831%0.31SS..SBendtrans-133.43-172-54.4-64.3180158.77.2114.9R484 F511 Q515R484-R513 HydrophobicContact CB-CB 4.36Å; R484-R513 HydrophobicContact CB-CG 3.8Å; R484-R513 HydrophobicContact CG-CG 4.13Å; R484-R513 WeakPolarHBondContact O-CA 3.37Å; R484-R513 VanDerWaalsContact O-CB 3.25Å; R484-R513 WeakPolarHBondContact O-CB 3.43Å; R484-R513 PolarHBondContact O-N 2.79Å; F511-R513 VanDerWaalsContact C-N 3.28Å; F511-R513 PolarHBondContact O-N 3.35Å; R513-Q515 VanDerWaalsContact C-N 3.25Å
514D93.6Very high95.9Very high72 Ų7264.2 Ų64.239%0.38529%0.294SS..SBendtrans-81.9-8178.5-70.1-16000112.6S485 E486 F511S485-D514 WeakPolarHBondContact CA-OD1 3.36Å; S485-D514 WeakPolarHBondContact CB-OD1 3.38Å; S485-D514 PolarHBondContact OG-OD1 3.36Å; E486-D514 WeakPolarHBondContact CB-OD2 3.45Å; E486-D514 PolarHBondContact N-OD2 3.08Å; F511-D514 HydrophobicContact CB-CB 4.11Å; F511-D514 WeakPolarHBondContact CB-OD2 3.46Å; F511-D514 WeakPolarHBondContact CG-OD2 3.33Å
515Q93.8Very high96Very high81 Ų8160 Ų6038%0.37928%0.275SS..SBendtrans-142.8169.4176.268.3-69.4-30.400110.6F511 R513 E517 V519F511-Q515 PolarHBondContact O-NE2 3.01Å; F511-Q515 PolarHBondContact O-OE1 3.06Å; R513-Q515 VanDerWaalsContact C-N 3.25Å; Q515-E517 VanDerWaalsContact CG-O 3.27Å; Q515-E517 WeakPolarHBondContact CG-O 3.36Å; Q515-E517 PolarHBondContact NE2-O 3.29Å; Q515-V519 VanDerWaalsContact NE2-CG2 3.33Å
516E89.8Confident96Very high191 Ų19164.5 Ų64.589%0.89329%0.292SS*.SBendtrans-62.1-47.2-177.6-171.6171.8-167.500112.1
517E92.6Very high95.9Very high149 Ų14964.6 Ų64.670%0.69629%0.292SS*.SBendtrans-80131.8177.5-70.8-60.6160.400112.5Q515 V519Q515-E517 VanDerWaalsContact CG-O 3.27Å; Q515-E517 WeakPolarHBondContact CG-O 3.36Å; Q515-E517 PolarHBondContact NE2-O 3.29Å; E517-V519 PolarHBondContact O-N 3.24Å
518K94.6Very high95.9Very high93 Ų9366.1 Ų66.140%0.40430%0.297SS..  trans-76.5112.8-176.7-62.6-175-169.5161.90111.3Y520 H523K518-Y520 HydrophobicContact CB-CE2 3.92Å; K518-Y520 HydrophobicContact CD-CE2 4.37Å; K518-Y520 VanDerWaalsContact CD-OH 3.32Å; K518-Y520 WeakPolarHBondContact CD-OH 3.32Å; K518-H523 PolarHBondContact O-CE1 2.84Å; K518-H523 PolarHBondContact O-ND1 3.44Å
519V95.6Very high95.8Very high29 Ų2964.7 Ų64.718%0.17629%0.292CS..  trans-95.2120.2172.9-179.70000109.9A510 S512 Q515 E517A510-V519 HydrophobicContact CB-CG1 4.1Å; S512-V519 WeakPolarHBondContact CA-O 3.48Å; Q515-V519 VanDerWaalsContact NE2-CG2 3.33Å; E517-V519 PolarHBondContact O-N 3.24Å
520Y96.2Very high95.8Very high89 Ų8965.9 Ų65.935%0.34931%0.305SS..  trans-116.6168.4176.5-62.4-62.2000111.6A510 K518 Q522 H523 R524A510-Y520 VanDerWaalsContact CB-C 3.43Å; K518-Y520 HydrophobicContact CB-CE2 3.92Å; K518-Y520 HydrophobicContact CD-CE2 4.37Å; K518-Y520 VanDerWaalsContact CD-OH 3.32Å; K518-Y520 WeakPolarHBondContact CD-OH 3.32Å; Y520-Q522 VanDerWaalsContact C-N 3.28Å; Y520-Q522 VanDerWaalsContact CB-CD 3.43Å; Y520-Q522 PolarHBondContact O-N 3.39Å; Y520-H523 AromaticContact CD2-CE1 3.98Å; Y520-H523 PolarHBondContact N-ND1 2.95Å; Y520-H523 WeakPolarHBondContact O-CB 3.46Å; Y520-H523 PolarHBondContact O-N 2.92Å; Y520-R524 PolarHBondContact O-N 3.18Å
521V96.7Very high95.8Very high5 Ų567.7 Ų67.73%0.0331%0.314CS..Hα-helixtrans-58.7-36.6-177.1-670000112.9V453 P455 A510 H523 R524 V525 M552 V556V453-V521 HydrophobicContact CG1-CB 4.05Å; V453-V521 HydrophobicContact CG1-CG2 3.96Å; P455-V521 HydrophobicContact CB-CG1 4.05Å; P455-V521 HydrophobicContact CB-CG2 4.44Å; P455-V521 HydrophobicContact CG-CG1 4.48Å; P455-V521 HydrophobicContact CG-CG2 4.11Å; A510-V521 HydrophobicContact CB-CG1 4.2Å; V521-H523 PolarHBondContact O-N 3.41Å; V521-R524 PolarHBondContact O-N 3.25Å; V521-R524 VanDerWaalsContact O-N 3.12Å; V521-V525 WeakPolarHBondContact O-CG2 3.43Å; V521-V525 PolarHBondContact O-N 3.37Å; V521-M552 HydrophobicContact CG2-CG 4.5Å; V521-V556 HydrophobicContact CG2-CG2 3.89Å
522Q96.4Very high95.8Very high30 Ų3066.6 Ų66.614%0.1431%0.31CS..Hα-helixtrans-63.5-28.5176.967.9-84.315.100112.9Y520 R526 A555 V556 A559Y520-Q522 VanDerWaalsContact C-N 3.28Å; Y520-Q522 VanDerWaalsContact CB-CD 3.43Å; Y520-Q522 PolarHBondContact O-N 3.39Å; Q522-R526 WeakPolarHBondContact O-CG 3.41Å; Q522-R526 PolarHBondContact O-N 3.35Å; Q522-R526 VanDerWaalsContact O-N 3.08Å; Q522-A555 HydrophobicContact CB-CB 4.27Å; Q522-A555 WeakPolarHBondContact CB-O 3.5Å; Q522-A555 HydrophobicContact CG-CB 4.09Å; Q522-V556 HydrophobicContact CB-CG2 4.35Å; Q522-A559 HydrophobicContact CB-CB 4.01Å; Q522-A559 WeakPolarHBondContact O-CB 3.24Å
523H97.1Very high95.9Very high62 Ų6268.5 Ų68.529%0.28732%0.315SS..Hα-helixtrans-68.9-44.9174.3-55.2161.6000109.9K518 Y520 V521 V525 R526 E527K518-H523 PolarHBondContact O-CE1 2.84Å; K518-H523 PolarHBondContact O-ND1 3.44Å; Y520-H523 AromaticContact CD2-CE1 3.98Å; Y520-H523 PolarHBondContact N-ND1 2.95Å; Y520-H523 WeakPolarHBondContact O-CB 3.46Å; Y520-H523 PolarHBondContact O-N 2.92Å; V521-H523 PolarHBondContact O-N 3.41Å; H523-V525 VanDerWaalsContact C-N 3.33Å; H523-V525 PolarHBondContact O-N 2.92Å; H523-R526 PolarHBondContact O-N 2.9Å; H523-E527 WeakPolarHBondContact O-CG 3.45Å; H523-E527 PolarHBondContact O-N 2.93Å
524R97.8Very high96.1Very high76 Ų7664.5 Ų64.529%0.28730%0.303SS..Hα-helixtrans-63.2-37.7175.1-63.1-54.9-163.8-168.7-1.9112.9F480 T509 A510 Y520 V521 E527 K528F480-R524 HydrophobicContact CD1-CB 3.81Å; F480-R524 HydrophobicContact CE1-CB 4.11Å; F480-R524 WeakPolarHBondContact CE1-O 3.29Å; T509-R524 PolarHBondContact O-NE 3.45Å; T509-R524 PolarHBondContact O-NH2 2.84Å; A510-R524 HydrophobicContact CB-CG 3.99Å; Y520-R524 PolarHBondContact O-N 3.18Å; V521-R524 PolarHBondContact O-N 3.25Å; V521-R524 VanDerWaalsContact O-N 3.12Å; R524-E527 WeakPolarHBondContact CD-OE2 3.45Å; R524-E527 IonicContact CZ-OE2 3.7Å; R524-E527 IonicContact NE-OE2 3.85Å; R524-E527 IonicContact NH1-OE1 3.42Å; R524-E527 PolarHBondContact NH1-OE1 3.47Å; R524-E527 IonicContact NH1-OE2 2.76Å; R524-E527 PolarHBondContact NH1-OE2 2.79Å; R524-E527 PolarHBondContact O-N 3.36Å; R524-K528 WeakPolarHBondContact O-CG 3.44Å; R524-K528 PolarHBondContact O-N 3.16Å; R524-K528 VanDerWaalsContact O-N 3.15Å
525V97.4Very high96.2Very high0 Ų061.7 Ų61.70%029%0.288CS..Hα-helixtrans-60.4-46.3174169.50000110.1V453 F480 V521 H523 K528 L532 A559V453-V525 HydrophobicContact CG2-CG2 4.32Å; F480-V525 HydrophobicContact CD1-CG2 4.01Å; F480-V525 HydrophobicContact CD2-CG2 4.47Å; F480-V525 HydrophobicContact CE1-CG2 4.24Å; F480-V525 HydrophobicContact CG-CG2 4.14Å; V521-V525 WeakPolarHBondContact O-CG2 3.43Å; V521-V525 PolarHBondContact O-N 3.37Å; H523-V525 VanDerWaalsContact C-N 3.33Å; H523-V525 PolarHBondContact O-N 2.92Å; V525-K528 CarbonylContact O-C 3.33Å; V525-K528 PolarHBondContact O-N 3.11Å; V525-L532 HydrophobicContact CB-CD1 4.28Å; V525-L532 HydrophobicContact CG1-CD1 3.51Å; V525-L532 VanDerWaalsContact O-CD1 3.29Å; V525-L532 WeakPolarHBondContact O-CD1 3.44Å; V525-A559 HydrophobicContact CB-CB 3.98Å; V525-A559 HydrophobicContact CG1-CB 3.59Å
526R96.9Very high96.4Very high100 Ų10058 Ų5838%0.37727%0.271SS..Hα-helixtrans-63.4-43.7175.4-71.1-174.9-177.1136.32.2112.9Q522 H523 K528 A529 A559 F562Q522-R526 WeakPolarHBondContact O-CG 3.41Å; Q522-R526 PolarHBondContact O-N 3.35Å; Q522-R526 VanDerWaalsContact O-N 3.08Å; H523-R526 PolarHBondContact O-N 2.9Å; R526-K528 PolarHBondContact O-N 3.23Å; R526-K528 VanDerWaalsContact O-N 3.16Å; R526-A529 WeakPolarHBondContact O-CB 3.47Å; R526-A529 PolarHBondContact O-N 3.19Å; R526-A559 HydrophobicContact CG-CB 3.65Å; R526-F562 HydrophobicContact CB-CD1 4.27Å; R526-F562 HydrophobicContact CB-CE1 4.44Å; R526-F562 HydrophobicContact CG-CD1 3.92Å; R526-F562 HydrophobicContact CG-CE1 4.47Å; R526-F562 HydrophobicContact CG-CG 4.49Å
527E97.5Very high96.5Very high102 Ų10250.2 Ų50.248%0.47724%0.238SC..Hα-helixtrans-59.9-24.7177.4-73.3168.7-158.900113.2H523 R524H523-E527 WeakPolarHBondContact O-CG 3.45Å; H523-E527 PolarHBondContact O-N 2.93Å; R524-E527 WeakPolarHBondContact CD-OE2 3.45Å; R524-E527 IonicContact CZ-OE2 3.7Å; R524-E527 IonicContact NE-OE2 3.85Å; R524-E527 IonicContact NH1-OE1 3.42Å; R524-E527 PolarHBondContact NH1-OE1 3.47Å; R524-E527 IonicContact NH1-OE2 2.76Å; R524-E527 PolarHBondContact NH1-OE2 2.79Å; R524-E527 PolarHBondContact O-N 3.36Å
528K97.9Very high96.5Very high75 Ų7548 Ų4833%0.32623%0.231SC..THydrogen-bonded Turntrans-10628.9-179.5-58.8-62.4167.3-1750112.6F480 F508 R524 V525 R526 A530 L531 L532F480-K528 HydrophobicContact CE1-CB 4.18Å; F480-K528 HydrophobicContact CE1-CG 4.06Å; F480-K528 HydrophobicContact CZ-CB 4Å; F480-K528 HydrophobicContact CZ-CG 4.25Å; F508-K528 HydrophobicContact CD1-CD 4.24Å; F508-K528 HydrophobicContact CD1-CG 4.2Å; F508-K528 HydrophobicContact CD2-CG 4.28Å; F508-K528 HydrophobicContact CE1-CD 3.72Å; F508-K528 HydrophobicContact CE1-CG 4.07Å; F508-K528 HydrophobicContact CE2-CD 4.4Å; F508-K528 HydrophobicContact CE2-CG 4.12Å; F508-K528 HydrophobicContact CG-CG 4.31Å; F508-K528 HydrophobicContact CZ-CD 3.8Å; F508-K528 HydrophobicContact CZ-CG 4.02Å; R524-K528 WeakPolarHBondContact O-CG 3.44Å; R524-K528 PolarHBondContact O-N 3.16Å; R524-K528 VanDerWaalsContact O-N 3.15Å; V525-K528 CarbonylContact O-C 3.33Å; V525-K528 PolarHBondContact O-N 3.11Å; R526-K528 PolarHBondContact O-N 3.23Å; R526-K528 VanDerWaalsContact O-N 3.16Å; K528-A530 PolarHBondContact O-N 3.5Å; K528-L531 HydrophobicContact CB-CB 4.44Å; K528-L531 PolarHBondContact O-N 3.01Å; K528-L532 WeakPolarHBondContact O-CG 3.28Å; K528-L532 PolarHBondContact O-N 3.19Å
529A97.1Very high96.5Very high6 Ų648.6 Ų48.65%0.0523%0.234CC..Hα-helixtrans-50-53.8-179.600000113R526 L531 L532 W533 A563 E567R526-A529 WeakPolarHBondContact O-CB 3.47Å; R526-A529 PolarHBondContact O-N 3.19Å; A529-L531 VanDerWaalsContact C-N 3.32Å; A529-L531 PolarHBondContact O-N 2.73Å; A529-L532 PolarHBondContact O-N 2.97Å; A529-L532 VanDerWaalsContact O-N 3.1Å; A529-W533 PolarHBondContact O-N 3.29Å; A529-A563 HydrophobicContact CB-CB 3.73Å; A529-E567 HydrophobicContact CB-CG 3.79Å
530A97.4Very high96.4Very high56 Ų5653 Ų5346%0.46325%0.252SS..Hα-helixtrans-56.5-42.3179.900000113.5K528 D534 E567K528-A530 PolarHBondContact O-N 3.5Å; A530-D534 PolarHBondContact O-N 2.78Å; A530-D534 VanDerWaalsContact O-N 3.11Å; A530-E567 HydrophobicContact CB-CG 4.43Å; A530-E567 PolarHBondContact N-OE1 3.36Å
531L97.6Very high96.5Very high40 Ų4048.8 Ų48.821%0.20924%0.236CC..Hα-helixtrans-64.3-46.6176.2174.264.9000110.9F508 K528 A529 W533 D534 L535F508-L531 HydrophobicContact CE2-CD2 3.7Å; F508-L531 HydrophobicContact CZ-CD2 3.88Å; K528-L531 HydrophobicContact CB-CB 4.44Å; K528-L531 PolarHBondContact O-N 3.01Å; A529-L531 VanDerWaalsContact C-N 3.32Å; A529-L531 PolarHBondContact O-N 2.73Å; L531-W533 VanDerWaalsContact C-N 3.34Å; L531-W533 PolarHBondContact O-N 3.36Å; L531-D534 PolarHBondContact O-N 2.98Å; L531-L535 HydrophobicContact CD1-CD1 3.95Å; L531-L535 HydrophobicContact CD1-CG 4.04Å; L531-L535 HydrophobicContact CG-CD1 3.97Å; L531-L535 HydrophobicContact CG-CG 4.39Å; L531-L535 VanDerWaalsContact O-CG 3.26Å; L531-L535 WeakPolarHBondContact O-CG 3.41Å; L531-L535 PolarHBondContact O-N 2.86Å
532L97.4Very high96.5Very high0 Ų049.1 Ų49.10%024%0.238CC..Hα-helixtrans-64.9-39.6-179.3-68.1175.9000111.8V451 F480 V525 K528 A529 L535 M536 F543 L560 A563V451-L532 HydrophobicContact CG1-CD2 3.82Å; V451-L532 HydrophobicContact CG2-CD2 4.07Å; F480-L532 HydrophobicContact CE2-CD2 4.02Å; F480-L532 HydrophobicContact CZ-CD2 4.23Å; V525-L532 HydrophobicContact CB-CD1 4.28Å; V525-L532 HydrophobicContact CG1-CD1 3.51Å; V525-L532 VanDerWaalsContact O-CD1 3.29Å; V525-L532 WeakPolarHBondContact O-CD1 3.44Å; K528-L532 WeakPolarHBondContact O-CG 3.28Å; K528-L532 PolarHBondContact O-N 3.19Å; A529-L532 PolarHBondContact O-N 2.97Å; A529-L532 VanDerWaalsContact O-N 3.1Å; L532-L535 PolarHBondContact O-N 2.95Å; L532-M536 VanDerWaalsContact O-CB 3.27Å; L532-M536 WeakPolarHBondContact O-CB 3.45Å; L532-M536 WeakPolarHBondContact O-CG 3.34Å; L532-M536 PolarHBondContact O-N 3.42Å; L532-F543 HydrophobicContact CD2-CD2 4.45Å; L532-F543 HydrophobicContact CD2-CE2 3.96Å; L532-L560 HydrophobicContact CB-CD1 4.29Å; L532-L560 HydrophobicContact CD1-CD1 4.28Å; L532-A563 HydrophobicContact CB-CB 4.46Å
533W97.1Very high96.6Very high51 Ų5147.7 Ų47.719%0.19323%0.231CC..Hα-helixtrans-59.4-49.3174.4178.2-109.6000111.6A529 L531 L535 M536 S537 F564 E567 G568 M578A529-W533 PolarHBondContact O-N 3.29Å; L531-W533 VanDerWaalsContact C-N 3.34Å; L531-W533 PolarHBondContact O-N 3.36Å; W533-L535 PolarHBondContact O-N 3.05Å; W533-M536 PolarHBondContact O-N 3.43Å; W533-S537 VanDerWaalsContact CH2-OG 3.28Å; W533-S537 WeakPolarHBondContact CH2-OG 3.33Å; W533-S537 WeakPolarHBondContact CZ3-OG 3.35Å; W533-S537 VanDerWaalsContact O-CB 3.24Å; W533-S537 WeakPolarHBondContact O-CB 3.37Å; W533-S537 PolarHBondContact O-N 3.28Å; W533-F564 HydrophobicContact CE3-CB 4.19Å; W533-F564 AromaticContact CE3-CD1 3.8Å; W533-F564 HydrophobicContact CE3-CD1 3.8Å; W533-F564 HydrophobicContact CE3-CE1 4.42Å; W533-F564 HydrophobicContact CE3-CG 4.05Å; W533-F564 HydrophobicContact CZ3-CB 3.96Å; W533-F564 HydrophobicContact CZ3-CD1 4.16Å; W533-F564 HydrophobicContact CZ3-CD2 4.45Å; W533-F564 AromaticContact CZ3-CG 3.94Å; W533-F564 HydrophobicContact CZ3-CG 3.94Å; W533-E567 HydrophobicContact CB-CB 3.57Å; W533-E567 HydrophobicContact CB-CG 4.16Å; W533-E567 HydrophobicContact CD2-CB 4.22Å; W533-E567 HydrophobicContact CG-CB 3.61Å; W533-G568 VanDerWaalsContact CE2-CA 3.46Å; W533-M578 HydrophobicContact CH2-CE 4.1Å; W533-M578 HydrophobicContact CZ3-CE 3.93Å
534D97.1Very high96.7Very high47 Ų4744.8 Ų44.825%0.25122%0.218SC..Iπ-helixtrans-59.4-48.7176.9178.959.1000112.2A530 L531 M536 N538 K539A530-D534 PolarHBondContact O-N 2.78Å; A530-D534 VanDerWaalsContact O-N 3.11Å; L531-D534 PolarHBondContact O-N 2.98Å; D534-M536 PolarHBondContact O-N 3.29Å; D534-N538 WeakPolarHBondContact O-CB 3.41Å; D534-N538 PolarHBondContact O-N 2.83Å; D534-N538 PolarHBondContact OD1-ND2 2.87Å; D534-K539 PolarHBondContact O-N 3.38Å; D534-K539 VanDerWaalsContact O-N 3.1Å; D534-K539 VanDerWaalsContact OD2-CE 3.28Å; D534-K539 WeakPolarHBondContact OD2-CE 3.19Å; D534-K539 IonicContact OD2-NZ 3.76Å; D534-K539 PolarHBondContact OD2-NZ 3.39Å
535L97.1Very high96.7Very high13 Ų1341.5 Ų41.57%0.06821%0.206CC..Iπ-helixtrans-63.2-41-178.6-67.3-180000112.2P449 V451 V478 L531 L532 W533 K539 H540 G541P449-L535 HydrophobicContact CB-CD2 3.79Å; P449-L535 HydrophobicContact CG-CD2 3.94Å; V451-L535 HydrophobicContact CG2-CD1 3.72Å; V478-L535 HydrophobicContact CG2-CD1 3.66Å; L531-L535 HydrophobicContact CD1-CD1 3.95Å; L531-L535 HydrophobicContact CD1-CG 4.04Å; L531-L535 HydrophobicContact CG-CD1 3.97Å; L531-L535 HydrophobicContact CG-CG 4.39Å; L531-L535 VanDerWaalsContact O-CG 3.26Å; L531-L535 WeakPolarHBondContact O-CG 3.41Å; L531-L535 PolarHBondContact O-N 2.86Å; L532-L535 PolarHBondContact O-N 2.95Å; W533-L535 PolarHBondContact O-N 3.05Å; L535-K539 HydrophobicContact CD2-CD 4.05Å; L535-K539 CarbonylContact O-C 3.58Å; L535-H540 PolarHBondContact O-N 2.98Å; L535-G541 WeakPolarHBondContact O-CA 3.45Å; L535-G541 PolarHBondContact O-N 3.3Å
536M96.3Very high96.6Very high3 Ų341.5 Ų41.52%0.01521%0.206CC..Iπ-helixtrans-84.5-44.8-175.1-62.8-58.498.400112.5V451 L532 W533 D534 F543 L560 F564 M582 R587V451-M536 HydrophobicContact CB-CE 4.48Å; V451-M536 HydrophobicContact CG2-CE 3.7Å; L532-M536 VanDerWaalsContact O-CB 3.27Å; L532-M536 WeakPolarHBondContact O-CB 3.45Å; L532-M536 WeakPolarHBondContact O-CG 3.34Å; L532-M536 PolarHBondContact O-N 3.42Å; W533-M536 PolarHBondContact O-N 3.43Å; D534-M536 PolarHBondContact O-N 3.29Å; M536-F543 HydrophobicContact SD-CB 3.86Å; M536-F543 HydrophobicContact SD-CD2 4.26Å; M536-L560 HydrophobicContact CG-CD1 4.46Å; M536-F564 HydrophobicContact CB-CE1 3.78Å; M536-F564 HydrophobicContact CB-CZ 3.69Å; M536-F564 HydrophobicContact CG-CE1 4.05Å; M536-F564 HydrophobicContact CG-CZ 4.09Å; M536-M582 HydrophobicContact CB-CE 4.35Å; M536-M582 HydrophobicContact CG-CE 4.16Å; M536-M582 HydrophobicContact SD-CE 3.53Å; M536-M582 VanDerWaalsContact SD-CE 3.53Å; M536-R587 PolarHBondContact O-NH2 2.97Å
537S92.9Very high96.3Very high29 Ų2936.8 Ų36.820%0.20319%0.188CC..Iπ-helixtrans-85.5-44.1-173.9-61.80000112.3W533W533-S537 VanDerWaalsContact CH2-OG 3.28Å; W533-S537 WeakPolarHBondContact CH2-OG 3.33Å; W533-S537 WeakPolarHBondContact CZ3-OG 3.35Å; W533-S537 VanDerWaalsContact O-CB 3.24Å; W533-S537 WeakPolarHBondContact O-CB 3.37Å; W533-S537 PolarHBondContact O-N 3.28Å
538N92.3Very high95.9Very high101 Ų10135.4 Ų35.454%0.5418%0.184SC..Iπ-helixtrans-91.5-38.2-174.2-56.7-30.2000112.9D534D534-N538 WeakPolarHBondContact O-CB 3.41Å; D534-N538 PolarHBondContact O-N 2.83Å; D534-N538 PolarHBondContact OD1-ND2 2.87Å
539K94.6Very high95.2Very high107 Ų10733 Ų3347%0.46518%0.179SC..SBendtrans-101.96.1-173.9-65.3175.3177.2154.40114.3P449 D534 L535 G541P449-K539 HydrophobicContact CG-CB 3.9Å; P449-K539 HydrophobicContact CG-CD 4.25Å; D534-K539 PolarHBondContact O-N 3.38Å; D534-K539 VanDerWaalsContact O-N 3.1Å; D534-K539 VanDerWaalsContact OD2-CE 3.28Å; D534-K539 WeakPolarHBondContact OD2-CE 3.19Å; D534-K539 IonicContact OD2-NZ 3.76Å; D534-K539 PolarHBondContact OD2-NZ 3.39Å; L535-K539 HydrophobicContact CD2-CD 4.05Å; L535-K539 CarbonylContact O-C 3.58Å; K539-G541 PolarHBondContact O-N 3.01Å
540H94.4Very high94.5Very high122 Ų12240.3 Ų40.357%0.56521%0.209SC*.  trans50.133.8179.3-60.6-73.1000114.6L535 R587L535-H540 PolarHBondContact O-N 2.98Å; H540-R587 VanDerWaalsContact CA-CZ 3.42Å; H540-R587 VanDerWaalsContact CA-NH2 3.3Å; H540-R587 PolarHBondContact ND1-NH1 2.89Å; H540-R587 PolarHBondContact O-NE 3.33Å; H540-R587 VanDerWaalsContact O-NE 3.15Å
541G96.9Very high93.9Very high0 Ų045.6 Ų45.60%022%0.224CC..  trans-65.8168.5-177.600000114.3P449 L535 K539 R587P449-G541 CarbonylContact O-C 3.54Å; P449-G541 WeakPolarHBondContact O-CA 3.33Å; L535-G541 WeakPolarHBondContact O-CA 3.45Å; L535-G541 PolarHBondContact O-N 3.3Å; K539-G541 PolarHBondContact O-N 3.01Å; G541-R587 VanDerWaalsContact O-CZ 3.32Å; G541-R587 PolarHBondContact O-NE 3.14Å; G541-R587 PolarHBondContact O-NH2 3.5Å
542C97.9Very high93.6Very high12 Ų1245 Ų458%0.08122%0.22CC..EExtended strand (participates in β ladder)trans-107.3140.1177.4-60.50000110.8P449 V450 V451 Y544 R587P449-C542 PolarHBondContact O-N 2.79Å; V450-C542 CarbonylContact C-O 3.48Å; V450-C542 WeakPolarHBondContact CA-O 3.44Å; V451-C542 PolarHBondContact N-O 3.24Å; C542-Y544 HydrophobicContact CB-CD2 4.3Å; C542-Y544 HydrophobicContact CB-CE2 3.33Å; C542-Y544 VanDerWaalsContact CB-OH 3.3Å; C542-Y544 WeakPolarHBondContact CB-OH 3.39Å; C542-R587 CarbonylContact C-O 3.59Å; C542-R587 WeakPolarHBondContact CA-O 3.38Å
543F98.3Very high93.3Very high0 Ų045.9 Ų45.90%023%0.227CC..EExtended strand (participates in β ladder)trans-118.6125.7-178.2-163.5-77.6000110.2V451 V453 L532 M536 I545 V556 L560 M582 R587 L588 Q589V451-F543 HydrophobicContact CB-CD2 3.71Å; V451-F543 HydrophobicContact CB-CE2 4.19Å; V451-F543 HydrophobicContact CB-CG 4.34Å; V451-F543 HydrophobicContact CG1-CD2 3.57Å; V451-F543 HydrophobicContact CG1-CE2 3.5Å; V451-F543 VanDerWaalsContact CG1-CE2 3.5Å; V451-F543 HydrophobicContact CG1-CG 4.41Å; V451-F543 HydrophobicContact CG1-CZ 4.3Å; V451-F543 HydrophobicContact CG2-CD2 4.39Å; V451-F543 WeakPolarHBondContact O-CA 3.26Å; V453-F543 HydrophobicContact CG2-CE1 3.71Å; V453-F543 HydrophobicContact CG2-CE2 4.26Å; V453-F543 HydrophobicContact CG2-CZ 3.48Å; V453-F543 VanDerWaalsContact CG2-CZ 3.48Å; L532-F543 HydrophobicContact CD2-CD2 4.45Å; L532-F543 HydrophobicContact CD2-CE2 3.96Å; M536-F543 HydrophobicContact SD-CB 3.86Å; M536-F543 HydrophobicContact SD-CD2 4.26Å; F543-I545 HydrophobicContact CD1-CD1 4.39Å; F543-I545 HydrophobicContact CD1-CG1 3.98Å; F543-I545 HydrophobicContact CE1-CD1 4.01Å; F543-I545 HydrophobicContact CE1-CG1 3.67Å; F543-V556 HydrophobicContact CE1-CG1 3.79Å; F543-V556 HydrophobicContact CZ-CG1 3.94Å; F543-L560 HydrophobicContact CD1-CD2 4.11Å; F543-L560 HydrophobicContact CD2-CD1 4.11Å; F543-L560 HydrophobicContact CD2-CD2 3.91Å; F543-L560 HydrophobicContact CE1-CD2 4.25Å; F543-L560 HydrophobicContact CE2-CD1 3.89Å; F543-L560 HydrophobicContact CE2-CD2 4.05Å; F543-L560 HydrophobicContact CE2-CG 4.45Å; F543-L560 HydrophobicContact CG-CD2 3.93Å; F543-L560 HydrophobicContact CZ-CD2 4.21Å; F543-M582 HydrophobicContact CB-CE 4.46Å; F543-R587 PolarHBondContact N-O 3.39Å; F543-L588 HydrophobicContact CB-CD1 4Å; F543-L588 HydrophobicContact CD1-CD1 3.59Å; F543-L588 HydrophobicContact CE1-CD1 4.49Å; F543-L588 HydrophobicContact CG-CD1 4.16Å; F543-L588 WeakPolarHBondContact O-CA 3.44Å; F543-Q589 PolarHBondContact O-N 3.14Å
544Y98.2Very high93Very high1 Ų146.1 Ų46.10%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-125.4134.4-173.4-58.4-86.7000111L440 R441 F442 P443 V450 V451 L452 V453 F462 C542 Q589L440-Y544 HydrophobicContact CD2-CD1 4.11Å; R441-Y544 WeakPolarHBondContact O-CE1 3.46Å; R441-Y544 PolarHBondContact O-OH 3.15Å; F442-Y544 WeakPolarHBondContact CA-OH 3.45Å; F442-Y544 HydrophobicContact CD1-CD2 4.46Å; F442-Y544 HydrophobicContact CD1-CE1 4.29Å; F442-Y544 AromaticContact CD1-CE2 3.91Å; F442-Y544 HydrophobicContact CD1-CE2 3.91Å; F442-Y544 AromaticContact CD1-CZ 3.84Å; F442-Y544 HydrophobicContact CE1-CD1 4.31Å; F442-Y544 HydrophobicContact CE1-CD2 4.11Å; F442-Y544 HydrophobicContact CE1-CE1 4.25Å; F442-Y544 HydrophobicContact CE1-CE2 4.03Å; F442-Y544 HydrophobicContact CE1-CG 4.24Å; P443-Y544 VanDerWaalsContact CD-OH 3.23Å; P443-Y544 WeakPolarHBondContact CD-OH 3.31Å; V450-Y544 HydrophobicContact CB-CD2 4.48Å; V450-Y544 HydrophobicContact CB-CE2 4.14Å; V450-Y544 HydrophobicContact CG1-CE2 4Å; V451-Y544 PolarHBondContact O-N 3.29Å; L452-Y544 HydrophobicContact CD2-CD2 3.67Å; L452-Y544 HydrophobicContact CD2-CE2 4.47Å; L452-Y544 HydrophobicContact CD2-CG 4.21Å; V453-Y544 PolarHBondContact N-O 3.39Å; F462-Y544 VanDerWaalsContact CE1-CB 3.47Å; F462-Y544 HydrophobicContact CE1-CG 4.36Å; C542-Y544 HydrophobicContact CB-CD2 4.3Å; C542-Y544 HydrophobicContact CB-CE2 3.33Å; C542-Y544 VanDerWaalsContact CB-OH 3.3Å; C542-Y544 WeakPolarHBondContact CB-OH 3.39Å; Y544-Q589 WeakPolarHBondContact CA-O 3.42Å; Y544-Q589 HydrophobicContact CD1-CB 3.89Å; Y544-Q589 HydrophobicContact CD1-CG 4.48Å; Y544-Q589 HydrophobicContact CE1-CB 4.14Å; Y544-Q589 HydrophobicContact CE1-CG 4.23Å
545I97.3Very high92.8Very high7 Ų744.9 Ų44.94%0.03624%0.236CC..EExtended strand (participates in β ladder)trans-120.3127.4177.6-55173.2000108.5V453 F543 M552 P553 V556 L588 Q589 S590 E591V453-I545 WeakPolarHBondContact O-CA 3.44Å; F543-I545 HydrophobicContact CD1-CD1 4.39Å; F543-I545 HydrophobicContact CD1-CG1 3.98Å; F543-I545 HydrophobicContact CE1-CD1 4.01Å; F543-I545 HydrophobicContact CE1-CG1 3.67Å; I545-M552 HydrophobicContact CG2-CE 4Å; I545-M552 HydrophobicContact CG2-SD 3.82Å; I545-P553 HydrophobicContact CG2-CB 4.24Å; I545-V556 HydrophobicContact CD1-CB 4.16Å; I545-V556 HydrophobicContact CD1-CG1 3.72Å; I545-V556 HydrophobicContact CG1-CG1 3.96Å; I545-L588 HydrophobicContact CD1-CD1 4.34Å; I545-Q589 PolarHBondContact N-O 2.9Å; I545-S590 CarbonylContact O-C 3.51Å; I545-S590 VanDerWaalsContact O-CA 3.27Å; I545-S590 WeakPolarHBondContact O-CA 3.43Å; I545-E591 PolarHBondContact O-N 3.01Å
546A95.7Very high92.8Very high0 Ų044.3 Ų44.30%023%0.232CC..EExtended strand (participates in β ladder)trans-138.2143.4173.200000113V453 G458 P461 F462 E591 W593V453-A546 PolarHBondContact O-N 2.91Å; G458-A546 WeakPolarHBondContact CA-O 3.36Å; G458-A546 WeakPolarHBondContact O-CB 3.41Å; P461-A546 HydrophobicContact CG-CB 3.95Å; F462-A546 HydrophobicContact CE1-CB 4.35Å; F462-A546 HydrophobicContact CE2-CB 3.61Å; F462-A546 HydrophobicContact CZ-CB 3.5Å; F462-A546 VanDerWaalsContact CZ-CB 3.5Å; A546-E591 WeakPolarHBondContact CA-O 3.23Å; A546-W593 HydrophobicContact CB-CZ3 4.38Å
547G91.9Very high92.8Very high1 Ų146 Ų461%0.0124%0.239CC..EExtended strand (participates in β ladder)trans136.7-145.4177.100000114.3A549 E591 T592 W593G547-A549 PolarHBondContact O-N 3.27Å; G547-E591 PolarHBondContact N-O 3.11Å; G547-T592 WeakPolarHBondContact O-CA 3.24Å; G547-W593 PolarHBondContact O-N 3.11Å
548N89.1Confident92.9Very high73 Ų7348.4 Ų48.439%0.3925%0.249SC..EExtended strand (participates in β ladder)trans-65.5126.7-172.9-171-64.6000112.3K550 P553 W593N548-K550 VanDerWaalsContact C-N 3.27Å; N548-K550 PolarHBondContact O-N 2.94Å; N548-K550 WeakPolarHBondContact OD1-CB 3.1Å; N548-K550 WeakPolarHBondContact OD1-CG 3Å; N548-K550 PolarHBondContact OD1-N 2.94Å; N548-P553 VanDerWaalsContact O-CD 3.3Å; N548-P553 WeakPolarHBondContact O-CD 3.39Å; N548-W593 CarbonylContact C-O 3.47Å; N548-W593 WeakPolarHBondContact CA-O 3.23Å
549A83.1Confident93.1Very high25 Ų2543.6 Ų43.621%0.20722%0.224CC..SBendtrans-74.5-1.4-175.500000116.2G547 W593G547-A549 PolarHBondContact O-N 3.27Å; A549-W593 PolarHBondContact N-O 3.04Å
550K82.6Confident93.3Very high159 Ų15938.5 Ų38.569%0.69120%0.202SC*.SBendtrans-72.2-120.8178.8-63.5178.7-179.7-170.80111N548 M552 P553N548-K550 VanDerWaalsContact C-N 3.27Å; N548-K550 PolarHBondContact O-N 2.94Å; N548-K550 WeakPolarHBondContact OD1-CB 3.1Å; N548-K550 WeakPolarHBondContact OD1-CG 3Å; N548-K550 PolarHBondContact OD1-N 2.94Å; K550-M552 PolarHBondContact O-N 3.3Å; K550-P553 WeakPolarHBondContact O-CD 3.36Å
551Q83.6Confident93.4Very high167 Ų16734.5 Ų34.578%0.7818%0.183SC*.Hα-helixtrans-79.7-18.1-172.2-66174-8.200113.9A555Q551-A555 WeakPolarHBondContact O-CB 3.03Å; Q551-A555 PolarHBondContact O-N 2.67Å
552M91.5Very high93.4Very high26 Ų2638 Ų3813%0.12820%0.198CC..Hα-helixtrans-61.5-48.2-171.5-178.4-79-67.700113.7P455 V521 I545 K550 A554 A555 V556P455-M552 HydrophobicContact CG-CE 4.03Å; P455-M552 HydrophobicContact CG-CG 3.83Å; P455-M552 HydrophobicContact CG-SD 3.99Å; V521-M552 HydrophobicContact CG2-CG 4.5Å; I545-M552 HydrophobicContact CG2-CE 4Å; I545-M552 HydrophobicContact CG2-SD 3.82Å; K550-M552 PolarHBondContact O-N 3.3Å; M552-A554 PolarHBondContact O-N 3.3Å; M552-A555 PolarHBondContact O-N 3.27Å; M552-V556 HydrophobicContact CG-CG2 4.47Å; M552-V556 WeakPolarHBondContact O-CG2 3.46Å; M552-V556 PolarHBondContact O-N 3.37Å; M552-V556 HydrophobicContact SD-CG2 3.9Å
553P90.4Very high93.2Very high20 Ų2037.4 Ų37.413%0.1319%0.194CC..Hα-helixtrans-66.6-40.7-175.4-20.234.6000112.2I545 N548 K550 V556 R557 T592I545-P553 HydrophobicContact CG2-CB 4.24Å; N548-P553 VanDerWaalsContact O-CD 3.3Å; N548-P553 WeakPolarHBondContact O-CD 3.39Å; K550-P553 WeakPolarHBondContact O-CD 3.36Å; P553-V556 PolarHBondContact O-N 2.9Å; P553-R557 WeakPolarHBondContact O-CB 3.33Å; P553-R557 PolarHBondContact O-N 3.21Å; P553-T592 HydrophobicContact CB-CG2 4.09Å; P553-T592 HydrophobicContact CG-CG2 3.43Å; P553-T592 VanDerWaalsContact CG-CG2 3.43Å
554A91.1Very high93.1Very high55 Ų5537.4 Ų37.446%0.45519%0.194SC..Hα-helixtrans-62.2-48.6174.300000111M552 V556 R557 D558M552-A554 PolarHBondContact O-N 3.3Å; A554-V556 VanDerWaalsContact C-N 3.29Å; A554-V556 PolarHBondContact O-N 3Å; A554-R557 WeakPolarHBondContact O-CB 3.37Å; A554-R557 PolarHBondContact O-N 3.3Å; A554-R557 VanDerWaalsContact O-N 3.1Å; A554-D558 PolarHBondContact O-N 3.31Å
555A94.6Very high93Very high22 Ų2240.1 Ų40.118%0.18221%0.207CC..Hα-helixtrans-61.5-35.2179.200000113.3Q522 Q551 M552 A559Q522-A555 HydrophobicContact CB-CB 4.27Å; Q522-A555 WeakPolarHBondContact CB-O 3.5Å; Q522-A555 HydrophobicContact CG-CB 4.09Å; Q551-A555 WeakPolarHBondContact O-CB 3.03Å; Q551-A555 PolarHBondContact O-N 2.67Å; M552-A555 PolarHBondContact O-N 3.27Å; A555-A559 WeakPolarHBondContact O-CB 3.37Å; A555-A559 PolarHBondContact O-N 3.33Å; A555-A559 VanDerWaalsContact O-N 3.08Å
556V96.6Very high92.9Very high0 Ų045.5 Ų45.50%023%0.232CC..Hα-helixtrans-71.5-41174.5172.40000111.2V453 V521 Q522 F543 I545 M552 P553 A554 A559 L560V453-V556 HydrophobicContact CB-CG1 4.29Å; V453-V556 HydrophobicContact CG1-CG1 3.97Å; V453-V556 HydrophobicContact CG1-CG2 3.92Å; V453-V556 HydrophobicContact CG2-CG1 4.21Å; V521-V556 HydrophobicContact CG2-CG2 3.89Å; Q522-V556 HydrophobicContact CB-CG2 4.35Å; F543-V556 HydrophobicContact CE1-CG1 3.79Å; F543-V556 HydrophobicContact CZ-CG1 3.94Å; I545-V556 HydrophobicContact CD1-CB 4.16Å; I545-V556 HydrophobicContact CD1-CG1 3.72Å; I545-V556 HydrophobicContact CG1-CG1 3.96Å; M552-V556 HydrophobicContact CG-CG2 4.47Å; M552-V556 WeakPolarHBondContact O-CG2 3.46Å; M552-V556 PolarHBondContact O-N 3.37Å; M552-V556 HydrophobicContact SD-CG2 3.9Å; P553-V556 PolarHBondContact O-N 2.9Å; A554-V556 VanDerWaalsContact C-N 3.29Å; A554-V556 PolarHBondContact O-N 3Å; V556-A559 PolarHBondContact O-N 2.9Å; V556-L560 PolarHBondContact O-N 3.34Å
557R95.4Very high92.9Very high40 Ų4049.9 Ų49.915%0.15125%0.252CS..Hα-helixtrans-59.2-47.3173.5-174.9-166.1179.989.2-11.6110.9P553 A554 A559 L560 Q561 E576 L579 E583P553-R557 WeakPolarHBondContact O-CB 3.33Å; P553-R557 PolarHBondContact O-N 3.21Å; A554-R557 WeakPolarHBondContact O-CB 3.37Å; A554-R557 PolarHBondContact O-N 3.3Å; A554-R557 VanDerWaalsContact O-N 3.1Å; R557-A559 VanDerWaalsContact C-N 3.28Å; R557-A559 PolarHBondContact O-N 3.03Å; R557-L560 WeakPolarHBondContact O-CB 3.49Å; R557-L560 PolarHBondContact O-N 3.02Å; R557-L560 VanDerWaalsContact O-N 3.09Å; R557-Q561 PolarHBondContact O-N 2.83Å; R557-E576 IonicContact CZ-OE1 3.69Å; R557-E576 IonicContact CZ-OE2 3.03Å; R557-E576 IonicContact NE-OE1 3.7Å; R557-E576 IonicContact NE-OE2 3.75Å; R557-E576 PolarHBondContact NE-OE2 2.94Å; R557-E576 IonicContact NH2-OE1 2.69Å; R557-E576 PolarHBondContact NH2-OE1 3.24Å; R557-E576 IonicContact NH2-OE2 3.8Å; R557-E576 PolarHBondContact NH2-OE2 2.94Å; R557-L579 HydrophobicContact CG-CD1 3.91Å; R557-E583 IonicContact CZ-OE1 3.92Å; R557-E583 IonicContact NH1-OE1 3.72Å; R557-E583 PolarHBondContact NH1-OE1 3.09Å; R557-E583 IonicContact NH1-OE2 3.41Å; R557-E583 IonicContact NH2-OE2 3.01Å
558D95.7Very high92.9Very high79 Ų7951 Ų5142%0.42227%0.265SS..Hα-helixtrans-62.2-37.6178.7-63.1-13.2000111.5A554 Q561 F562A554-D558 PolarHBondContact O-N 3.31Å; D558-Q561 PolarHBondContact O-N 3.25Å; D558-F562 WeakPolarHBondContact O-CB 3.29Å; D558-F562 PolarHBondContact O-N 3.08Å
559A97.2Very high93Very high0 Ų051 Ų510%028%0.281CS..Hα-helixtrans-65.8-37.1174.200000112.8Q522 V525 R526 A555 V556 R557 A563Q522-A559 HydrophobicContact CB-CB 4.01Å; Q522-A559 WeakPolarHBondContact O-CB 3.24Å; V525-A559 HydrophobicContact CB-CB 3.98Å; V525-A559 HydrophobicContact CG1-CB 3.59Å; R526-A559 HydrophobicContact CG-CB 3.65Å; A555-A559 WeakPolarHBondContact O-CB 3.37Å; A555-A559 PolarHBondContact O-N 3.33Å; A555-A559 VanDerWaalsContact O-N 3.08Å; V556-A559 PolarHBondContact O-N 2.9Å; R557-A559 VanDerWaalsContact C-N 3.28Å; R557-A559 PolarHBondContact O-N 3.03Å; A559-A563 PolarHBondContact O-N 2.83Å; A559-A563 VanDerWaalsContact O-N 3.12Å
560L97.1Very high93.6Very high0 Ų051.4 Ų51.40%028%0.281CS..Hα-helixtrans-70.7-40.8174.4-176.862.4000111.7L532 M536 F543 V556 R557 F562 A563 F564 L579L532-L560 HydrophobicContact CB-CD1 4.29Å; L532-L560 HydrophobicContact CD1-CD1 4.28Å; M536-L560 HydrophobicContact CG-CD1 4.46Å; F543-L560 HydrophobicContact CD1-CD2 4.11Å; F543-L560 HydrophobicContact CD2-CD1 4.11Å; F543-L560 HydrophobicContact CD2-CD2 3.91Å; F543-L560 HydrophobicContact CE1-CD2 4.25Å; F543-L560 HydrophobicContact CE2-CD1 3.89Å; F543-L560 HydrophobicContact CE2-CD2 4.05Å; F543-L560 HydrophobicContact CE2-CG 4.45Å; F543-L560 HydrophobicContact CG-CD2 3.93Å; F543-L560 HydrophobicContact CZ-CD2 4.21Å; V556-L560 PolarHBondContact O-N 3.34Å; R557-L560 WeakPolarHBondContact O-CB 3.49Å; R557-L560 PolarHBondContact O-N 3.02Å; R557-L560 VanDerWaalsContact O-N 3.09Å; L560-F562 VanDerWaalsContact C-N 3.29Å; L560-F562 PolarHBondContact O-N 3.16Å; L560-A563 WeakPolarHBondContact O-CB 3.25Å; L560-A563 PolarHBondContact O-N 2.79Å; L560-A563 VanDerWaalsContact O-N 3.14Å; L560-F564 HydrophobicContact CD1-CD1 4.27Å; L560-F564 HydrophobicContact CD1-CE1 3.66Å; L560-F564 HydrophobicContact CD1-CZ 4.25Å; L560-F564 HydrophobicContact CG-CE1 4.08Å; L560-F564 HydrophobicContact CG-CZ 4.31Å; L560-F564 WeakPolarHBondContact O-CD1 3.38Å; L560-F564 PolarHBondContact O-N 3.16Å; L560-F564 VanDerWaalsContact O-N 3.1Å; L560-L579 HydrophobicContact CD2-CD2 3.65Å; L560-L579 HydrophobicContact CG-CD2 3.94Å
561Q96.6Very high94.2Very high37 Ų3746.5 Ų46.517%0.17327%0.267CS..Hα-helixtrans-58.8-44.4173.8-167.7-176.612.100110.9R557 D558 A563 F564 Q565 A572 A575 L579R557-Q561 PolarHBondContact O-N 2.83Å; D558-Q561 PolarHBondContact O-N 3.25Å; Q561-A563 VanDerWaalsContact C-N 3.32Å; Q561-A563 PolarHBondContact O-N 2.96Å; Q561-F564 PolarHBondContact O-N 3.31Å; Q561-F564 VanDerWaalsContact O-N 3.14Å; Q561-Q565 WeakPolarHBondContact O-CG 3.42Å; Q561-Q565 PolarHBondContact O-N 3.46Å; Q561-A572 PolarHBondContact NE2-O 2.85Å; Q561-A575 HydrophobicContact CG-CB 3.72Å; Q561-L579 HydrophobicContact CB-CD1 3.8Å; Q561-L579 HydrophobicContact CG-CD1 4.21Å
562F96.6Very high94.7Very high73 Ų7341 Ų4132%0.3225%0.25SC..Hα-helixtrans-57.5-43.9174.2174.6-93000112R526 D558 L560 F564 Q565 Q566R526-F562 HydrophobicContact CB-CD1 4.27Å; R526-F562 HydrophobicContact CB-CE1 4.44Å; R526-F562 HydrophobicContact CG-CD1 3.92Å; R526-F562 HydrophobicContact CG-CE1 4.47Å; R526-F562 HydrophobicContact CG-CG 4.49Å; D558-F562 WeakPolarHBondContact O-CB 3.29Å; D558-F562 PolarHBondContact O-N 3.08Å; L560-F562 VanDerWaalsContact C-N 3.29Å; L560-F562 PolarHBondContact O-N 3.16Å; F562-F564 VanDerWaalsContact C-N 3.28Å; F562-F564 PolarHBondContact O-N 2.91Å; F562-Q565 PolarHBondContact O-N 3.24Å; F562-Q566 HydrophobicContact CD1-CG 4.05Å; F562-Q566 HydrophobicContact CD2-CG 4.07Å; F562-Q566 HydrophobicContact CE1-CG 3.6Å; F562-Q566 HydrophobicContact CE2-CG 3.63Å; F562-Q566 HydrophobicContact CG-CG 4.28Å; F562-Q566 HydrophobicContact CZ-CG 3.38Å; F562-Q566 WeakPolarHBondContact O-CG 3.11Å; F562-Q566 PolarHBondContact O-N 3.33Å
563A95.7Very high94.9Very high0 Ų046.6 Ų46.60%028%0.275CS..Hα-helixtrans-59.6-39.1176.700000112.2A529 L532 A559 L560 Q561 E567A529-A563 HydrophobicContact CB-CB 3.73Å; L532-A563 HydrophobicContact CB-CB 4.46Å; A559-A563 PolarHBondContact O-N 2.83Å; A559-A563 VanDerWaalsContact O-N 3.12Å; L560-A563 WeakPolarHBondContact O-CB 3.25Å; L560-A563 PolarHBondContact O-N 2.79Å; L560-A563 VanDerWaalsContact O-N 3.14Å; Q561-A563 VanDerWaalsContact C-N 3.32Å; Q561-A563 PolarHBondContact O-N 2.96Å; A563-E567 WeakPolarHBondContact O-CB 3.35Å; A563-E567 PolarHBondContact O-N 3.02Å; A563-E567 VanDerWaalsContact O-N 3.11Å
564F95.6Very high95.1Very high1 Ų150.1 Ų50.10%0.00429%0.29CS..Hα-helixtrans-68.3-40.1178.3-73.215.1000111.9W533 M536 L560 Q561 F562 G568 V570 A575 M578 L579 M582W533-F564 HydrophobicContact CE3-CB 4.19Å; W533-F564 AromaticContact CE3-CD1 3.8Å; W533-F564 HydrophobicContact CE3-CD1 3.8Å; W533-F564 HydrophobicContact CE3-CE1 4.42Å; W533-F564 HydrophobicContact CE3-CG 4.05Å; W533-F564 HydrophobicContact CZ3-CB 3.96Å; W533-F564 HydrophobicContact CZ3-CD1 4.16Å; W533-F564 HydrophobicContact CZ3-CD2 4.45Å; W533-F564 AromaticContact CZ3-CG 3.94Å; W533-F564 HydrophobicContact CZ3-CG 3.94Å; M536-F564 HydrophobicContact CB-CE1 3.78Å; M536-F564 HydrophobicContact CB-CZ 3.69Å; M536-F564 HydrophobicContact CG-CE1 4.05Å; M536-F564 HydrophobicContact CG-CZ 4.09Å; L560-F564 HydrophobicContact CD1-CD1 4.27Å; L560-F564 HydrophobicContact CD1-CE1 3.66Å; L560-F564 HydrophobicContact CD1-CZ 4.25Å; L560-F564 HydrophobicContact CG-CE1 4.08Å; L560-F564 HydrophobicContact CG-CZ 4.31Å; L560-F564 WeakPolarHBondContact O-CD1 3.38Å; L560-F564 PolarHBondContact O-N 3.16Å; L560-F564 VanDerWaalsContact O-N 3.1Å; Q561-F564 PolarHBondContact O-N 3.31Å; Q561-F564 VanDerWaalsContact O-N 3.14Å; F562-F564 VanDerWaalsContact C-N 3.28Å; F562-F564 PolarHBondContact O-N 2.91Å; F564-G568 WeakPolarHBondContact O-CA 3.34Å; F564-G568 PolarHBondContact O-N 3.24Å; F564-V570 HydrophobicContact CB-CG2 4.44Å; F564-V570 WeakPolarHBondContact O-CG2 3.47Å; F564-A575 HydrophobicContact CB-CB 4.07Å; F564-M578 HydrophobicContact CD2-CB 4.1Å; F564-M578 HydrophobicContact CD2-CE 3.96Å; F564-M578 HydrophobicContact CD2-SD 4.15Å; F564-M578 HydrophobicContact CE2-CB 4.09Å; F564-M578 HydrophobicContact CE2-CE 4.04Å; F564-L579 HydrophobicContact CD2-CD2 4.25Å; F564-L579 HydrophobicContact CE2-CD2 3.75Å; F564-L579 HydrophobicContact CE2-CG 4.47Å; F564-L579 HydrophobicContact CZ-CD2 4.18Å; F564-M582 HydrophobicContact CE2-SD 3.82Å; F564-M582 HydrophobicContact CZ-CE 4.47Å; F564-M582 HydrophobicContact CZ-SD 3.72Å
565Q96.3Very high95.3Very high58 Ų5847.5 Ų47.527%0.27127%0.269SS..Hα-helixtrans-64.7-49177.1-67.7170.3-39.100112.2Q561 F562 G569 A575Q561-Q565 WeakPolarHBondContact O-CG 3.42Å; Q561-Q565 PolarHBondContact O-N 3.46Å; F562-Q565 PolarHBondContact O-N 3.24Å; Q565-G569 WeakPolarHBondContact O-CA 3.42Å; Q565-G569 PolarHBondContact O-N 2.94Å; Q565-G569 VanDerWaalsContact O-N 3.16Å; Q565-A575 HydrophobicContact CG-CB 4.02Å
566Q95.3Very high95.3Very high120 Ų12049.6 Ų49.656%0.56128%0.275SS*.Hα-helixtrans-68.5-48.3-174.4-68.8-62.4-36.600112.2F562F562-Q566 HydrophobicContact CD1-CG 4.05Å; F562-Q566 HydrophobicContact CD2-CG 4.07Å; F562-Q566 HydrophobicContact CE1-CG 3.6Å; F562-Q566 HydrophobicContact CE2-CG 3.63Å; F562-Q566 HydrophobicContact CG-CG 4.28Å; F562-Q566 HydrophobicContact CZ-CG 3.38Å; F562-Q566 WeakPolarHBondContact O-CG 3.11Å; F562-Q566 PolarHBondContact O-N 3.33Å
567E95.8Very high95.2Very high91 Ų9155.2 Ų55.243%0.42530%0.301SS..Hα-helixtrans-91.8-28.7-171.8-57.1-69.5165.200112.4A529 A530 W533 A563A529-E567 HydrophobicContact CB-CG 3.79Å; A530-E567 HydrophobicContact CB-CG 4.43Å; A530-E567 PolarHBondContact N-OE1 3.36Å; W533-E567 HydrophobicContact CB-CB 3.57Å; W533-E567 HydrophobicContact CB-CG 4.16Å; W533-E567 HydrophobicContact CD2-CB 4.22Å; W533-E567 HydrophobicContact CG-CB 3.61Å; A563-E567 WeakPolarHBondContact O-CB 3.35Å; A563-E567 PolarHBondContact O-N 3.02Å; A563-E567 VanDerWaalsContact O-N 3.11Å
568G90.8Very high95.2Very high26 Ų2656.2 Ų56.227%0.26831%0.308SS..Hα-helixtrans-88.1-14.217800000114.6W533 F564 V570W533-G568 VanDerWaalsContact CE2-CA 3.46Å; F564-G568 WeakPolarHBondContact O-CA 3.34Å; F564-G568 PolarHBondContact O-N 3.24Å; G568-V570 PolarHBondContact O-N 2.95Å
569G92.6Very high95.1Very high71 Ų7152.5 Ų52.573%0.73229%0.288SS*.  trans63.818.4-175.700000114Q565Q565-G569 WeakPolarHBondContact O-CA 3.42Å; Q565-G569 PolarHBondContact O-N 2.94Å; Q565-G569 VanDerWaalsContact O-N 3.16Å
570V93.9Very high94.9Very high35 Ų3554.6 Ų54.621%0.21230%0.301CS..  trans-89.9153.7-179.2-61.90000111.6F564 G568 E574 A575 M578F564-V570 HydrophobicContact CB-CG2 4.44Å; F564-V570 WeakPolarHBondContact O-CG2 3.47Å; G568-V570 PolarHBondContact O-N 2.95Å; V570-E574 HydrophobicContact CB-CB 4.02Å; V570-A575 HydrophobicContact CG2-CB 4.07Å; V570-M578 HydrophobicContact CG2-SD 4.46Å
571S96.3Very high94.8Very high55 Ų5557 Ų5739%0.38532%0.32SS..  trans-67.1164.1174.668.30000112.4Q573 E574 A575S571-Q573 VanDerWaalsContact C-N 3.25Å; S571-Q573 PolarHBondContact O-N 2.9Å; S571-E574 WeakPolarHBondContact CB-OE2 3.39Å; S571-E574 PolarHBondContact N-OE2 3.25Å; S571-E574 PolarHBondContact O-N 2.84Å; S571-E574 WeakPolarHBondContact OG-CB 3.33Å; S571-E574 VanDerWaalsContact OG-CD 3.24Å; S571-E574 VanDerWaalsContact OG-CG 3.27Å; S571-E574 WeakPolarHBondContact OG-CG 3.41Å; S571-E574 PolarHBondContact OG-N 3.09Å; S571-E574 PolarHBondContact OG-OE2 3.29Å; S571-A575 WeakPolarHBondContact O-CB 3.29Å; S571-A575 PolarHBondContact O-N 3.45Å
572A94Very high94.8Very high51 Ų5155.7 Ų55.742%0.42132%0.315SS..Hα-helixtrans-57.5-38.1175.100000113.7Q561 E576Q561-A572 PolarHBondContact NE2-O 2.85Å; A572-E576 PolarHBondContact O-N 3.06Å
573Q94.7Very high94.6Very high144 Ų14456.3 Ų56.367%0.67332%0.318SS*.Hα-helixtrans-71.4-41-179.2-170.6174.68.400111.5S571 E576 Q577S571-Q573 VanDerWaalsContact C-N 3.25Å; S571-Q573 PolarHBondContact O-N 2.9Å; Q573-E576 PolarHBondContact O-N 3.26Å; Q573-Q577 WeakPolarHBondContact O-CG 3.39Å; Q573-Q577 PolarHBondContact O-N 3.34Å
574E95.5Very high94.4Very high94 Ų9464.6 Ų64.644%0.43936%0.355SS..Hα-helixtrans-65.5-44175.1-72162.9147.500111.3V570 S571 E576 Q577 M578V570-E574 HydrophobicContact CB-CB 4.02Å; S571-E574 WeakPolarHBondContact CB-OE2 3.39Å; S571-E574 PolarHBondContact N-OE2 3.25Å; S571-E574 PolarHBondContact O-N 2.84Å; S571-E574 WeakPolarHBondContact OG-CB 3.33Å; S571-E574 VanDerWaalsContact OG-CD 3.24Å; S571-E574 VanDerWaalsContact OG-CG 3.27Å; S571-E574 WeakPolarHBondContact OG-CG 3.41Å; S571-E574 PolarHBondContact OG-N 3.09Å; S571-E574 PolarHBondContact OG-OE2 3.29Å; E574-E576 VanDerWaalsContact C-N 3.31Å; E574-E576 PolarHBondContact O-N 3.07Å; E574-Q577 WeakPolarHBondContact O-CB 3.42Å; E574-Q577 PolarHBondContact O-N 3.1Å; E574-Q577 VanDerWaalsContact O-N 3.15Å; E574-M578 WeakPolarHBondContact O-CG 3.43Å; E574-M578 PolarHBondContact O-N 2.93Å
575A95.2Very high94.2Very high0 Ų069.3 Ų69.30%038%0.383CS..Hα-helixtrans-58.1-43.5175.400000111.7Q561 F564 Q565 V570 S571 M578 L579Q561-A575 HydrophobicContact CG-CB 3.72Å; F564-A575 HydrophobicContact CB-CB 4.07Å; Q565-A575 HydrophobicContact CG-CB 4.02Å; V570-A575 HydrophobicContact CG2-CB 4.07Å; S571-A575 WeakPolarHBondContact O-CB 3.29Å; S571-A575 PolarHBondContact O-N 3.45Å; A575-M578 WeakPolarHBondContact O-CB 3.43Å; A575-M578 PolarHBondContact O-N 3.04Å; A575-L579 WeakPolarHBondContact O-CG 3.25Å; A575-L579 PolarHBondContact O-N 3.06Å
576E94Very high94.1Very high66 Ų6667.8 Ų67.831%0.30838%0.384SS..Hα-helixtrans-64.1-41.2176.2-179.256.1-157.200112R557 A572 Q573 E574 M578 L579 V580R557-E576 IonicContact CZ-OE1 3.69Å; R557-E576 IonicContact CZ-OE2 3.03Å; R557-E576 IonicContact NE-OE1 3.7Å; R557-E576 IonicContact NE-OE2 3.75Å; R557-E576 PolarHBondContact NE-OE2 2.94Å; R557-E576 IonicContact NH2-OE1 2.69Å; R557-E576 PolarHBondContact NH2-OE1 3.24Å; R557-E576 IonicContact NH2-OE2 3.8Å; R557-E576 PolarHBondContact NH2-OE2 2.94Å; A572-E576 PolarHBondContact O-N 3.06Å; Q573-E576 PolarHBondContact O-N 3.26Å; E574-E576 VanDerWaalsContact C-N 3.31Å; E574-E576 PolarHBondContact O-N 3.07Å; E576-M578 VanDerWaalsContact C-N 3.31Å; E576-M578 PolarHBondContact O-N 3.28Å; E576-L579 PolarHBondContact O-N 3.26Å; E576-V580 WeakPolarHBondContact O-CG2 3.43Å; E576-V580 PolarHBondContact O-N 2.92Å
577Q94.8Very high94.1Very high118 Ų11864.5 Ų64.555%0.55137%0.366SS*.Hα-helixtrans-61.6-39.1175-72.6174.38.100112.2Q573 E574 V580 A581Q573-Q577 WeakPolarHBondContact O-CG 3.39Å; Q573-Q577 PolarHBondContact O-N 3.34Å; E574-Q577 WeakPolarHBondContact O-CB 3.42Å; E574-Q577 PolarHBondContact O-N 3.1Å; E574-Q577 VanDerWaalsContact O-N 3.15Å; Q577-V580 PolarHBondContact O-N 2.87Å; Q577-A581 WeakPolarHBondContact O-CB 3.4Å; Q577-A581 PolarHBondContact O-N 3.04Å
578M95.1Very high94.1Very high62 Ų6260.6 Ų60.631%0.30535%0.348SS..Hα-helixtrans-62.4-46.1174.4-68.5174.870.100111.4W533 F564 V570 E574 A575 E576 A581 M582W533-M578 HydrophobicContact CH2-CE 4.1Å; W533-M578 HydrophobicContact CZ3-CE 3.93Å; F564-M578 HydrophobicContact CD2-CB 4.1Å; F564-M578 HydrophobicContact CD2-CE 3.96Å; F564-M578 HydrophobicContact CD2-SD 4.15Å; F564-M578 HydrophobicContact CE2-CB 4.09Å; F564-M578 HydrophobicContact CE2-CE 4.04Å; V570-M578 HydrophobicContact CG2-SD 4.46Å; E574-M578 WeakPolarHBondContact O-CG 3.43Å; E574-M578 PolarHBondContact O-N 2.93Å; A575-M578 WeakPolarHBondContact O-CB 3.43Å; A575-M578 PolarHBondContact O-N 3.04Å; E576-M578 VanDerWaalsContact C-N 3.31Å; E576-M578 PolarHBondContact O-N 3.28Å; M578-A581 WeakPolarHBondContact O-CB 3.35Å; M578-A581 PolarHBondContact O-N 3.08Å; M578-M582 WeakPolarHBondContact O-CG 3.43Å; M578-M582 PolarHBondContact O-N 3.19Å
579L94.9Very high94.3Very high0 Ų060.8 Ų60.80%034%0.342CS..Hα-helixtrans-62.2-44.3177.3-65.6-178.9000111.8R557 L560 Q561 F564 A575 E576 A581 M582 E583 L588R557-L579 HydrophobicContact CG-CD1 3.91Å; L560-L579 HydrophobicContact CD2-CD2 3.65Å; L560-L579 HydrophobicContact CG-CD2 3.94Å; Q561-L579 HydrophobicContact CB-CD1 3.8Å; Q561-L579 HydrophobicContact CG-CD1 4.21Å; F564-L579 HydrophobicContact CD2-CD2 4.25Å; F564-L579 HydrophobicContact CE2-CD2 3.75Å; F564-L579 HydrophobicContact CE2-CG 4.47Å; F564-L579 HydrophobicContact CZ-CD2 4.18Å; A575-L579 WeakPolarHBondContact O-CG 3.25Å; A575-L579 PolarHBondContact O-N 3.06Å; E576-L579 PolarHBondContact O-N 3.26Å; L579-A581 VanDerWaalsContact C-N 3.29Å; L579-A581 PolarHBondContact O-N 3.12Å; L579-M582 HydrophobicContact CD2-SD 4.3Å; L579-M582 WeakPolarHBondContact O-CB 3.5Å; L579-M582 PolarHBondContact O-N 3.35Å; L579-M582 VanDerWaalsContact O-N 3.15Å; L579-E583 WeakPolarHBondContact O-CG 3.33Å; L579-E583 PolarHBondContact O-N 3.13Å; L579-L588 HydrophobicContact CB-CD2 4.39Å; L579-L588 HydrophobicContact CD2-CD2 4.2Å
580V93.1Very high94.3Very high45 Ų4559.3 Ų59.327%0.27332%0.321SS..Hα-helixtrans-61.2-38.3174.8170.20000111.5E576 Q577 E583 K584E576-V580 WeakPolarHBondContact O-CG2 3.43Å; E576-V580 PolarHBondContact O-N 2.92Å; Q577-V580 PolarHBondContact O-N 2.87Å; V580-E583 PolarHBondContact O-N 3.2Å; V580-K584 HydrophobicContact CG1-CD 4.27Å; V580-K584 VanDerWaalsContact O-CG 3.32Å; V580-K584 WeakPolarHBondContact O-CG 3.43Å; V580-K584 PolarHBondContact O-N 3.2Å
581A94.7Very high94.1Very high49 Ų4958.9 Ų58.941%0.40532%0.316SS..Hα-helixtrans-66.6-39.7174.600000111.8Q577 M578 L579 K584 T585Q577-A581 WeakPolarHBondContact O-CB 3.4Å; Q577-A581 PolarHBondContact O-N 3.04Å; M578-A581 WeakPolarHBondContact O-CB 3.35Å; M578-A581 PolarHBondContact O-N 3.08Å; L579-A581 VanDerWaalsContact C-N 3.29Å; L579-A581 PolarHBondContact O-N 3.12Å; A581-K584 PolarHBondContact O-N 3.11Å; A581-T585 WeakPolarHBondContact O-CB 3.32Å; A581-T585 WeakPolarHBondContact O-CG2 3.34Å; A581-T585 PolarHBondContact O-N 3.1Å; A581-T585 PolarHBondContact O-OG1 2.87Å
582M95.6Very high93.7Very high11 Ų1157.7 Ų57.75%0.05431%0.307CS..Hα-helixtrans-62.6-40.9173.9-71.1174.167.300111.8M536 F543 F564 M578 L579 T585 G586 R587 L588M536-M582 HydrophobicContact CB-CE 4.35Å; M536-M582 HydrophobicContact CG-CE 4.16Å; M536-M582 HydrophobicContact SD-CE 3.53Å; M536-M582 VanDerWaalsContact SD-CE 3.53Å; F543-M582 HydrophobicContact CB-CE 4.46Å; F564-M582 HydrophobicContact CE2-SD 3.82Å; F564-M582 HydrophobicContact CZ-CE 4.47Å; F564-M582 HydrophobicContact CZ-SD 3.72Å; M578-M582 WeakPolarHBondContact O-CG 3.43Å; M578-M582 PolarHBondContact O-N 3.19Å; L579-M582 HydrophobicContact CD2-SD 4.3Å; L579-M582 WeakPolarHBondContact O-CB 3.5Å; L579-M582 PolarHBondContact O-N 3.35Å; L579-M582 VanDerWaalsContact O-N 3.15Å; M582-T585 WeakPolarHBondContact CA-OG1 3.42Å; M582-T585 PolarHBondContact O-N 2.82Å; M582-T585 PolarHBondContact O-OG1 3.24Å; M582-G586 PolarHBondContact O-N 3.43Å; M582-G586 VanDerWaalsContact O-N 3.11Å; M582-R587 HydrophobicContact CB-CB 4.13Å; M582-R587 HydrophobicContact CE-CB 4.47Å; M582-R587 HydrophobicContact CG-CB 4.35Å; M582-R587 WeakPolarHBondContact O-CA 3.27Å; M582-R587 PolarHBondContact O-N 3.31Å; M582-L588 HydrophobicContact CB-CB 3.76Å; M582-L588 HydrophobicContact CE-CB 4.43Å; M582-L588 PolarHBondContact O-N 3.19Å
583E92.9Very high93.2Very high85 Ų8559 Ų5940%0.39730%0.301SS..Hα-helixtrans-63.9-45.9175.2-70.6175.7147.700111.8R557 L579 V580 T585 G586 L588R557-E583 IonicContact CZ-OE1 3.92Å; R557-E583 IonicContact NH1-OE1 3.72Å; R557-E583 PolarHBondContact NH1-OE1 3.09Å; R557-E583 IonicContact NH1-OE2 3.41Å; R557-E583 IonicContact NH2-OE2 3.01Å; L579-E583 WeakPolarHBondContact O-CG 3.33Å; L579-E583 PolarHBondContact O-N 3.13Å; V580-E583 PolarHBondContact O-N 3.2Å; E583-T585 PolarHBondContact O-N 3.06Å; E583-G586 PolarHBondContact O-N 3.03Å; E583-G586 VanDerWaalsContact O-N 3.1Å; E583-L588 HydrophobicContact CG-CB 3.94Å; E583-L588 HydrophobicContact CG-CD2 3.84Å; E583-L588 HydrophobicContact CG-CG 3.9Å
584K90.6Very high92.3Very high175 Ų17557.9 Ų57.976%0.76131%0.309SS*.Hα-helixtrans-61.5-33.9178.5-75.5175.1-177.9175.10112.8V580 A581 G586V580-K584 HydrophobicContact CG1-CD 4.27Å; V580-K584 VanDerWaalsContact O-CG 3.32Å; V580-K584 WeakPolarHBondContact O-CG 3.43Å; V580-K584 PolarHBondContact O-N 3.2Å; A581-K584 PolarHBondContact O-N 3.11Å; K584-G586 VanDerWaalsContact C-N 3.34Å
585T93.3Very high92.1Very high99 Ų9956.1 Ų56.161%0.60730%0.303SS*.THydrogen-bonded Turntrans-89.10.9178.953.90000113.1A581 M582 E583 R587A581-T585 WeakPolarHBondContact O-CB 3.32Å; A581-T585 WeakPolarHBondContact O-CG2 3.34Å; A581-T585 PolarHBondContact O-N 3.1Å; A581-T585 PolarHBondContact O-OG1 2.87Å; M582-T585 WeakPolarHBondContact CA-OG1 3.42Å; M582-T585 PolarHBondContact O-N 2.82Å; M582-T585 PolarHBondContact O-OG1 3.24Å; E583-T585 PolarHBondContact O-N 3.06Å; T585-R587 PolarHBondContact O-N 3.17Å
586G92.8Very high91.9Very high27 Ų2759.1 Ų59.128%0.27832%0.319SS..THydrogen-bonded Turntrans71.513.3-177.700000114M582 E583 K584 Q589M582-G586 PolarHBondContact O-N 3.43Å; M582-G586 VanDerWaalsContact O-N 3.11Å; E583-G586 PolarHBondContact O-N 3.03Å; E583-G586 VanDerWaalsContact O-N 3.1Å; K584-G586 VanDerWaalsContact C-N 3.34Å; G586-Q589 WeakPolarHBondContact O-CG 3.46Å; G586-Q589 PolarHBondContact O-NE2 2.89Å
587R96.1Very high91.8Very high50 Ų5058.7 Ų58.719%0.18932%0.319CS..SBendtrans-82.8-21.7174.7-70.2-175.656.3-155-15.8113.3M536 H540 G541 C542 F543 M582 T585M536-R587 PolarHBondContact O-NH2 2.97Å; H540-R587 VanDerWaalsContact CA-CZ 3.42Å; H540-R587 VanDerWaalsContact CA-NH2 3.3Å; H540-R587 PolarHBondContact ND1-NH1 2.89Å; H540-R587 PolarHBondContact O-NE 3.33Å; H540-R587 VanDerWaalsContact O-NE 3.15Å; G541-R587 VanDerWaalsContact O-CZ 3.32Å; G541-R587 PolarHBondContact O-NE 3.14Å; G541-R587 PolarHBondContact O-NH2 3.5Å; C542-R587 CarbonylContact C-O 3.59Å; C542-R587 WeakPolarHBondContact CA-O 3.38Å; F543-R587 PolarHBondContact N-O 3.39Å; M582-R587 HydrophobicContact CB-CB 4.13Å; M582-R587 HydrophobicContact CE-CB 4.47Å; M582-R587 HydrophobicContact CG-CB 4.35Å; M582-R587 WeakPolarHBondContact O-CA 3.27Å; M582-R587 PolarHBondContact O-N 3.31Å; T585-R587 PolarHBondContact O-N 3.17Å
588L96.2Very high91.6Very high10 Ų1055.2 Ų55.25%0.05231%0.305CS..EExtended strand (participates in β ladder)trans-116.2117.6167.8175.857.9000108.3F543 I545 L579 M582 E583F543-L588 HydrophobicContact CB-CD1 4Å; F543-L588 HydrophobicContact CD1-CD1 3.59Å; F543-L588 HydrophobicContact CE1-CD1 4.49Å; F543-L588 HydrophobicContact CG-CD1 4.16Å; F543-L588 WeakPolarHBondContact O-CA 3.44Å; I545-L588 HydrophobicContact CD1-CD1 4.34Å; L579-L588 HydrophobicContact CB-CD2 4.39Å; L579-L588 HydrophobicContact CD2-CD2 4.2Å; M582-L588 HydrophobicContact CB-CB 3.76Å; M582-L588 HydrophobicContact CE-CB 4.43Å; M582-L588 PolarHBondContact O-N 3.19Å; E583-L588 HydrophobicContact CG-CB 3.94Å; E583-L588 HydrophobicContact CG-CD2 3.84Å; E583-L588 HydrophobicContact CG-CG 3.9Å
589Q94.5Very high91.4Very high29 Ų2954.8 Ų54.814%0.13631%0.305CS..EExtended strand (participates in β ladder)trans-131146.2-178.2-61.8178.645.100110.5G439 L440 R441 F543 Y544 I545 G586G439-Q589 PolarHBondContact O-OE1 3.47Å; L440-Q589 HydrophobicContact CD2-CB 4Å; R441-Q589 PolarHBondContact O-NE2 3.32Å; F543-Q589 PolarHBondContact O-N 3.14Å; Y544-Q589 WeakPolarHBondContact CA-O 3.42Å; Y544-Q589 HydrophobicContact CD1-CB 3.89Å; Y544-Q589 HydrophobicContact CD1-CG 4.48Å; Y544-Q589 HydrophobicContact CE1-CB 4.14Å; Y544-Q589 HydrophobicContact CE1-CG 4.23Å; I545-Q589 PolarHBondContact N-O 2.9Å; G586-Q589 WeakPolarHBondContact O-CG 3.46Å; G586-Q589 PolarHBondContact O-NE2 2.89Å
590S91.6Very high91.2Very high41 Ų4158.4 Ų58.429%0.28733%0.326SS..EExtended strand (participates in β ladder)trans-131.3135.4175.457.60000111.5I545I545-S590 CarbonylContact O-C 3.51Å; I545-S590 VanDerWaalsContact O-CA 3.27Å; I545-S590 WeakPolarHBondContact O-CA 3.43Å
591E90.2Very high91.1Very high25 Ų2559.4 Ų59.412%0.11733%0.33CS..EExtended strand (participates in β ladder)trans-125101.5171.1-178.5172.69700108.6S382 L440 I545 A546 G547 W593S382-E591 PolarHBondContact OG-OE1 3.14Å; L440-E591 HydrophobicContact CD1-CB 3.96Å; L440-E591 HydrophobicContact CD2-CB 3.84Å; L440-E591 HydrophobicContact CG-CB 3.81Å; I545-E591 PolarHBondContact O-N 3.01Å; A546-E591 WeakPolarHBondContact CA-O 3.23Å; G547-E591 PolarHBondContact N-O 3.11Å; E591-W593 HydrophobicContact CG-CZ3 4.37Å; E591-W593 WeakPolarHBondContact O-CZ3 3.42Å
592T87.3Confident90.8Very high31 Ų3160.2 Ų60.219%0.1932%0.324CS..EExtended strand (participates in β ladder)trans-128.3149.2-170.760.40000111.5G547 P553G547-T592 WeakPolarHBondContact O-CA 3.24Å; P553-T592 HydrophobicContact CB-CG2 4.09Å; P553-T592 HydrophobicContact CG-CG2 3.43Å; P553-T592 VanDerWaalsContact CG-CG2 3.43Å
593W84.4Confident90.4Very high78 Ų7864.3 Ų64.330%0.29535%0.346SS..EExtended strand (participates in β ladder)trans-145160.1-177.758.989.9000112.1A546 G547 N548 A549 E591A546-W593 HydrophobicContact CB-CZ3 4.38Å; G547-W593 PolarHBondContact O-N 3.11Å; N548-W593 CarbonylContact C-O 3.47Å; N548-W593 WeakPolarHBondContact CA-O 3.23Å; A549-W593 PolarHBondContact N-O 3.04Å; E591-W593 HydrophobicContact CG-CZ3 4.37Å; E591-W593 WeakPolarHBondContact O-CZ3 3.42Å
594S74.7Confident90.2Very high121 Ų12162.4 Ų62.485%0.84634%0.342SS*.  trans-113.30177.354.20000113.9R379R379-S594 PolarHBondContact NH2-O 3.4Å

Retrieved 594 of 594 residues in 203.1 ms (Link to these results)

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