A0A087XZ36_POEFO Loading...

PBZ-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XZ36, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 333 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
1M47Very low79.5Confident223 Ų22373 Ų73100%1.09944%0.44SS*.  0128.70-69.9158.667.600106.9G3M1-G3 PolarHBondContact O-N 3.09Å
2S56.3Low79.5Confident118 Ų11871.4 Ų71.483%0.82545%0.45SS*.  trans-79.4109.4-176.9-47.30000110
3G81.1Confident79.7Confident24 Ų2477.5 Ų77.525%0.24748%0.477CS..EExtended strand (participates in β ladder)trans-92.9177.7175.600000112.4M1 A78M1-G3 PolarHBondContact O-N 3.09Å; G3-A78 PolarHBondContact N-O 2.82Å; G3-A78 PolarHBondContact O-N 3.33Å
4F85.8Confident80.2Confident116 Ų11677.4 Ų77.451%0.50947%0.471SS..EExtended strand (participates in β ladder)trans-109149.8161.9-69.1-81.3000109.4L17 L60 V75 A76F4-L17 WeakPolarHBondContact O-CB 3.22Å; F4-L17 PolarHBondContact O-N 2.95Å; F4-L60 HydrophobicContact CE1-CB 4.48Å; F4-L60 HydrophobicContact CE1-CD1 4.48Å; F4-V75 HydrophobicContact CD1-CG1 4.12Å; F4-A76 WeakPolarHBondContact CA-O 3.38Å
5G89.6Confident80.6Confident0 Ų074.7 Ų74.70%046%0.455CS..EExtended strand (participates in β ladder)trans-139.2155.8176.900000111.2V15 A76G5-V15 CarbonylContact C-O 3.57Å; G5-V15 VanDerWaalsContact CA-O 3.32Å; G5-V15 WeakPolarHBondContact CA-O 3.39Å; G5-A76 PolarHBondContact N-O 3.13Å; G5-A76 PolarHBondContact O-N 3.06Å
6L89.6Confident81.1Confident2 Ų279.1 Ų79.11%0.0147%0.469CS..EExtended strand (participates in β ladder)trans-103.5120.1175.9-57178.7000108.9L14 V15 L17 L30 F64 Y73 V75L6-L14 WeakPolarHBondContact O-CA 3.5Å; L6-V15 HydrophobicContact CB-CB 4.28Å; L6-V15 PolarHBondContact N-O 3.01Å; L6-V15 PolarHBondContact O-N 3.35Å; L6-L17 HydrophobicContact CD1-CD1 4.28Å; L6-L17 HydrophobicContact CD1-CD2 3.94Å; L6-L17 HydrophobicContact CD1-CG 4.46Å; L6-L17 HydrophobicContact CD2-CD1 4.08Å; L6-L17 HydrophobicContact CG-CD1 3.95Å; L6-L17 HydrophobicContact CG-CD2 4.07Å; L6-L17 HydrophobicContact CG-CG 4.11Å; L6-L30 HydrophobicContact CD1-CD1 4.03Å; L6-L30 HydrophobicContact CD1-CD2 4.02Å; L6-L30 HydrophobicContact CD1-CG 4.41Å; L6-F64 HydrophobicContact CD1-CE1 4.34Å; L6-F64 HydrophobicContact CD1-CZ 3.81Å; L6-F64 HydrophobicContact CD2-CE1 3.69Å; L6-F64 HydrophobicContact CD2-CZ 4.04Å; L6-Y73 HydrophobicContact CB-CD1 3.93Å; L6-Y73 HydrophobicContact CB-CG 4.35Å; L6-V75 HydrophobicContact CD2-CG2 3.97Å
7V90.8Very high81.3Confident57 Ų5776.4 Ų76.435%0.34545%0.452SS..EExtended strand (participates in β ladder)trans-100118176.9-178.90000108.6V9 L14 Y73 R74 A76V7-V9 PolarHBondContact O-N 2.79Å; V7-L14 HydrophobicContact CG2-CD1 3.91Å; V7-L14 HydrophobicContact CG2-CG 4.14Å; V7-Y73 CarbonylContact O-C 3.58Å; V7-Y73 WeakPolarHBondContact O-CA 3.39Å; V7-R74 PolarHBondContact N-O 2.73Å; V7-R74 PolarHBondContact O-N 2.79Å; V7-A76 HydrophobicContact CG2-CB 3.91Å
8P89.6Confident81.4Confident24 Ų2475.6 Ų75.616%0.15645%0.449CS..EExtended strand (participates in β ladder)trans-62.5126.9173.2-19.832000110.8D10 D13 Y73P8-D10 VanDerWaalsContact C-N 3.32Å; P8-D13 WeakPolarHBondContact CD-O 3.41Å; P8-D13 WeakPolarHBondContact CG-O 3.44Å; P8-Y73 HydrophobicContact CB-CD1 4.44Å; P8-Y73 HydrophobicContact CB-CE1 4.37Å; P8-Y73 HydrophobicContact CG-CD1 4.17Å; P8-Y73 HydrophobicContact CG-CE1 3.96Å
9V86.3Confident81.4Confident76 Ų7678.2 Ų78.246%0.46147%0.468SS..THydrogen-bonded Turntrans-71.8-34.4174.7-176.80000110.4V7 G11 I72V7-V9 PolarHBondContact O-N 2.79Å; V9-G11 PolarHBondContact O-N 3.08Å; V9-G11 VanDerWaalsContact O-N 3.11Å; V9-I72 HydrophobicContact CB-CB 4.12Å; V9-I72 HydrophobicContact CB-CG2 4.33Å; V9-I72 HydrophobicContact CG2-CB 4.1Å; V9-I72 HydrophobicContact CG2-CG2 3.82Å; V9-I72 WeakPolarHBondContact CG2-O 3.25Å; V9-I72 PolarHBondContact N-O 3.11Å
10D82.1Confident81.5Confident99 Ų9977.9 Ų77.953%0.52948%0.481SS..THydrogen-bonded Turntrans-69.9-1.9-179.9-53.3-34.4000113.1P8 F71 I72P8-D10 VanDerWaalsContact C-N 3.32Å; D10-F71 WeakPolarHBondContact OD2-CA 3.38Å; D10-F71 PolarHBondContact OD2-N 2.92Å; D10-I72 PolarHBondContact OD2-N 3.47Å
11G76.7Confident81.5Confident64 Ų6481.4 Ų81.466%0.6649%0.492SS*.SBendtrans88.9117.4-174.200000112.7V9V9-G11 PolarHBondContact O-N 3.08Å; V9-G11 VanDerWaalsContact O-N 3.11Å
12G79.5Confident83.1Confident54 Ų5472.1 Ų72.156%0.55745%0.448SS*.  trans169.5178.4178.200000113.1
13D81.6Confident84.2Confident150 Ų15071.3 Ų71.380%0.80244%0.438SS*.  trans-69.7148-178.6-68.8-53.5000113.3P8 V15P8-D13 WeakPolarHBondContact CD-O 3.41Å; P8-D13 WeakPolarHBondContact CG-O 3.44Å; D13-V15 PolarHBondContact O-N 3.49Å
14L86.1Confident84Confident76 Ų7672.3 Ų72.340%0.39844%0.437SS..  trans-72.3115.1176.6-177.9160.3000110.1L6 V7 Q16L6-L14 WeakPolarHBondContact O-CA 3.5Å; V7-L14 HydrophobicContact CG2-CD1 3.91Å; V7-L14 HydrophobicContact CG2-CG 4.14Å; L14-Q16 HydrophobicContact CD2-CG 3.68Å; L14-Q16 PolarHBondContact O-N 2.75Å
15V87.2Confident83.3Confident37 Ų3767.1 Ų67.122%0.22442%0.417CS..EExtended strand (participates in β ladder)trans-80.3107.6175.3-175.60000108.6G5 L6 D13 F29G5-V15 CarbonylContact C-O 3.57Å; G5-V15 VanDerWaalsContact CA-O 3.32Å; G5-V15 WeakPolarHBondContact CA-O 3.39Å; L6-V15 HydrophobicContact CB-CB 4.28Å; L6-V15 PolarHBondContact N-O 3.01Å; L6-V15 PolarHBondContact O-N 3.35Å; D13-V15 PolarHBondContact O-N 3.49Å; V15-F29 HydrophobicContact CG1-CB 3.98Å; V15-F29 HydrophobicContact CG1-CD1 4.21Å
16Q87.9Confident81.9Confident146 Ų14676.1 Ų76.168%0.68245%0.451SS*.EExtended strand (participates in β ladder)trans-71.2135.2176.3-64.3-173.729.600110.5L14L14-Q16 HydrophobicContact CD2-CG 3.68Å; L14-Q16 PolarHBondContact O-N 2.75Å
17L85.3Confident80.7Confident33 Ų3377.3 Ų77.317%0.17346%0.464CS..PPolyproline II helixtrans-99.7140.6176.3-58.4-171.3000111.1F4 L6 T22F4-L17 WeakPolarHBondContact O-CB 3.22Å; F4-L17 PolarHBondContact O-N 2.95Å; L6-L17 HydrophobicContact CD1-CD1 4.28Å; L6-L17 HydrophobicContact CD1-CD2 3.94Å; L6-L17 HydrophobicContact CD1-CG 4.46Å; L6-L17 HydrophobicContact CD2-CD1 4.08Å; L6-L17 HydrophobicContact CG-CD1 3.95Å; L6-L17 HydrophobicContact CG-CD2 4.07Å; L6-L17 HydrophobicContact CG-CG 4.11Å; L17-T22 HydrophobicContact CD1-CG2 4.22Å; L17-T22 HydrophobicContact CD2-CG2 3.94Å
18P82.3Confident79.3Confident61 Ų6180.7 Ų80.740%0.39649%0.486SS..PPolyproline II helixtrans-68.2152.6173.930.8-35.4000110.7G20 F29P18-G20 PolarHBondContact O-N 3.33Å; P18-F29 HydrophobicContact CG-CE2 4.18Å; P18-F29 HydrophobicContact CG-CZ 3.81Å
19P82.6Confident78.1Confident125 Ų12583.4 Ų83.481%0.81250%0.496SS*.SBendtrans-60.9127.3171.8-21.433.2000111.5
20G82.3Confident77.3Confident72 Ų7280.6 Ų80.674%0.74248%0.478SS*.SBendtrans123.9-153.6-179.900000112.7P18P18-G20 PolarHBondContact O-N 3.33Å
21E82.1Confident76.4Confident152 Ų15278.6 Ų78.671%0.7148%0.481SS*.  trans-84.8126.7179.7-61.5-178.415600110.9W55E21-W55 HydrophobicContact CB-CH2 3.75Å; E21-W55 HydrophobicContact CB-CZ2 4.29Å; E21-W55 HydrophobicContact CB-CZ3 4.03Å
22T81.4Confident75.4Confident28 Ų2877 Ų7717%0.17246%0.459CS..  trans-110121.6176.6-65.40000110.3L17 L24 F29L17-T22 HydrophobicContact CD1-CG2 4.22Å; L17-T22 HydrophobicContact CD2-CG2 3.94Å; T22-L24 HydrophobicContact CG2-CD2 4.41Å; T22-F29 HydrophobicContact CG2-CD2 4.41Å
23V79Confident74.3Confident102 Ų10279.4 Ų79.462%0.61846%0.455SS*.  trans-77.4122172.3-179.90000109.8W55V23-W55 HydrophobicContact CG2-CH2 3.69Å; V23-W55 HydrophobicContact CG2-CZ3 4.25Å
24L77.3Confident73.4Confident44 Ų4477.9 Ų77.923%0.2345%0.446CS..  trans-83.1148.4175.5-56.3179.7000111.3T22 L30 L58 F64T22-L24 HydrophobicContact CG2-CD2 4.41Å; L24-L30 HydrophobicContact CD2-CD1 3.8Å; L24-L58 HydrophobicContact CD1-CD1 4.1Å; L24-F64 HydrophobicContact CD1-CD2 4.28Å; L24-F64 HydrophobicContact CD1-CE1 4.23Å; L24-F64 HydrophobicContact CD1-CE2 4.02Å; L24-F64 HydrophobicContact CD1-CZ 3.98Å; L24-F64 HydrophobicContact CD2-CE1 4.38Å; L24-F64 HydrophobicContact CD2-CE2 4.18Å; L24-F64 HydrophobicContact CD2-CZ 3.71Å; L24-F64 HydrophobicContact CG-CZ 4.43Å
25G70.3Confident72.5Confident7 Ų777.6 Ų77.67%0.07244%0.444CS..SBendtrans98.3-128.3-177.700000113.1G27 T32G25-G27 VanDerWaalsContact C-N 3.33Å; G25-G27 PolarHBondContact O-N 3.31Å; G25-T32 CarbonylContact C-O 3.58Å
26R61.2Low71.9Confident190 Ų19079.1 Ų79.172%0.71746%0.455SS*.SBendtrans-77.675.9-167.4-150.4177.5-162.4-144.82.4113.6T32R26-T32 WeakPolarHBondContact CA-O 3.32Å; R26-T32 WeakPolarHBondContact CB-O 3.28Å; R26-T32 VanDerWaalsContact CG-O 3.28Å; R26-T32 WeakPolarHBondContact CG-O 3.05Å; R26-T32 PolarHBondContact N-O 3.01Å
27G63.3Low71.5Confident27 Ų2773.1 Ų73.128%0.27843%0.429SS..SBendtrans-144.8-178.6175.900000112.6G25 F29 L30 G31G25-G27 VanDerWaalsContact C-N 3.33Å; G25-G27 PolarHBondContact O-N 3.31Å; G27-F29 PolarHBondContact O-N 2.91Å; G27-F29 VanDerWaalsContact O-N 3.1Å; G27-L30 PolarHBondContact O-N 3.42Å; G27-G31 PolarHBondContact O-N 2.85Å; G27-G31 VanDerWaalsContact O-N 3.1Å
28P60.5Low71.4Confident127 Ų12772.8 Ų72.883%0.82543%0.426SS*.THydrogen-bonded Turntrans-63.9-17.4-173.326.4-35.3000114.3
29F64.9Low71.5Confident82 Ų8271.6 Ų71.636%0.3642%0.416SS..THydrogen-bonded Turntrans-91.2-26.4-177.3-56.7-69.3000114.4V15 P18 T22 G27V15-F29 HydrophobicContact CG1-CB 3.98Å; V15-F29 HydrophobicContact CG1-CD1 4.21Å; P18-F29 HydrophobicContact CG-CE2 4.18Å; P18-F29 HydrophobicContact CG-CZ 3.81Å; T22-F29 HydrophobicContact CG2-CD2 4.41Å; G27-F29 PolarHBondContact O-N 2.91Å; G27-F29 VanDerWaalsContact O-N 3.1Å
30L70.9Confident71.4Confident16 Ų1666.6 Ų66.68%0.08438%0.383CS..THydrogen-bonded Turntrans-139.5-9.8-164-67.6176.3000115.5L6 L24 G27 T32 F64 L66 Y73L6-L30 HydrophobicContact CD1-CD1 4.03Å; L6-L30 HydrophobicContact CD1-CD2 4.02Å; L6-L30 HydrophobicContact CD1-CG 4.41Å; L24-L30 HydrophobicContact CD2-CD1 3.8Å; G27-L30 PolarHBondContact O-N 3.42Å; L30-T32 PolarHBondContact O-N 3.34Å; L30-F64 HydrophobicContact CD1-CE2 4.36Å; L30-F64 HydrophobicContact CD1-CZ 4.35Å; L30-L66 HydrophobicContact CB-CD1 3.87Å; L30-L66 HydrophobicContact CD1-CD1 4.34Å; L30-L66 HydrophobicContact CD1-CD2 4.38Å; L30-L66 HydrophobicContact CD2-CD1 4.22Å; L30-L66 HydrophobicContact CG-CD1 4.36Å; L30-Y73 HydrophobicContact CD2-CD1 4.44Å; L30-Y73 HydrophobicContact CD2-CD2 4.41Å; L30-Y73 HydrophobicContact CD2-CE1 3.87Å; L30-Y73 HydrophobicContact CD2-CE2 3.86Å
31G62.5Low70.9Confident57 Ų5769.2 Ų69.259%0.58838%0.379SS*.  trans68.6-26.2160.700000119.9G27G27-G31 PolarHBondContact O-N 2.85Å; G27-G31 VanDerWaalsContact O-N 3.1Å
32T56.6Low70.4Confident31 Ų3164.3 Ų64.319%0.1936%0.362CS..  trans-86159.8-16756.90000115.1G25 R26 L30 L66 F71G25-T32 CarbonylContact C-O 3.58Å; R26-T32 WeakPolarHBondContact CA-O 3.32Å; R26-T32 WeakPolarHBondContact CB-O 3.28Å; R26-T32 VanDerWaalsContact CG-O 3.28Å; R26-T32 WeakPolarHBondContact CG-O 3.05Å; R26-T32 PolarHBondContact N-O 3.01Å; L30-T32 PolarHBondContact O-N 3.34Å; T32-L66 WeakPolarHBondContact OG1-CD1 3.36Å; T32-F71 HydrophobicContact CG2-CE2 4.43Å
33H54.6Low69.8Low104 Ų10466.8 Ų66.848%0.48138%0.378SS..  trans-70.6-172.9-168.9-174.6-104.1000115.4N35H33-N35 PolarHBondContact ND1-OD1 3.23Å; H33-N35 PolarHBondContact O-N 2.83Å
34I63.3Low69.2Low119 Ų11969.2 Ų69.261%0.6139%0.388SS*.SBendtrans-68.646.6-179.1-37.7168.2000112.4
35N66.6Low69Low69 Ų6970.7 Ų70.737%0.36940%0.396SS..PPolyproline II helixtrans-97.1148.9179.7-61.79.9000108.3H33 C37 L67H33-N35 PolarHBondContact ND1-OD1 3.23Å; H33-N35 PolarHBondContact O-N 2.83Å; N35-C37 PolarHBondContact O-N 3.34Å; N35-L67 HydrophobicContact CB-CD2 4.37Å; N35-L67 WeakPolarHBondContact ND2-CD2 3.13Å
36P74.8Confident69.2Low70 Ų7077.2 Ų77.246%0.45543%0.429SS..PPolyproline II helixtrans-61.8132171.526.9-33.2000109.4F38 P49P36-F38 HydrophobicContact CB-CZ 4.38Å; P36-F38 HydrophobicContact CG-CE2 4.18Å; P36-F38 HydrophobicContact CG-CZ 3.81Å; P36-F38 WeakPolarHBondContact O-CD2 3.47Å; P36-F38 WeakPolarHBondContact O-CE2 3.48Å; P36-P49 HydrophobicContact CB-CB 4.41Å
37C79.3Confident70.1Confident19 Ų1970.4 Ų70.413%0.12841%0.409CS..PPolyproline II helixtrans-78154.4163.3-580000108.6N35 L50 S65N35-C37 PolarHBondContact O-N 3.34Å; C37-L50 HydrophobicContact CB-CD1 4.15Å; C37-L50 WeakPolarHBondContact O-CB 3.26Å; C37-L50 PolarHBondContact O-N 3.1Å; C37-S65 CarbonylContact C-O 3.56Å; C37-S65 WeakPolarHBondContact CA-O 3.49Å
38F84.6Confident71Confident26 Ų2676.9 Ų76.911%0.11443%0.425CS..EExtended strand (participates in β ladder)trans-126.4140.7-178.4-53.5-101.1000111.1P36 P47 R48 P49 F64 S65 P68P36-F38 HydrophobicContact CB-CZ 4.38Å; P36-F38 HydrophobicContact CG-CE2 4.18Å; P36-F38 HydrophobicContact CG-CZ 3.81Å; P36-F38 WeakPolarHBondContact O-CD2 3.47Å; P36-F38 WeakPolarHBondContact O-CE2 3.48Å; F38-P47 HydrophobicContact CB-CB 3.72Å; F38-P47 HydrophobicContact CD1-CB 4.13Å; F38-P47 WeakPolarHBondContact CD1-O 3.38Å; F38-P47 HydrophobicContact CG-CB 4.09Å; F38-R48 CarbonylContact C-O 3.47Å; F38-R48 VanDerWaalsContact CA-O 3.23Å; F38-R48 WeakPolarHBondContact CA-O 3.25Å; F38-P49 HydrophobicContact CD1-CB 3.87Å; F38-P49 HydrophobicContact CE1-CB 3.89Å; F38-F64 CarbonylContact O-C 3.44Å; F38-F64 WeakPolarHBondContact O-CA 3.19Å; F38-F64 WeakPolarHBondContact O-CB 3.36Å; F38-S65 PolarHBondContact N-O 3.1Å; F38-S65 PolarHBondContact O-N 3.21Å; F38-P68 HydrophobicContact CE2-CG 3.93Å; F38-P68 HydrophobicContact CZ-CG 3.78Å
39L82.9Confident72.2Confident36 Ų3675 Ų7519%0.18841%0.414CS..EExtended strand (participates in β ladder)trans-89.3144.9167.5-84.6174.9000111.8R48 L50 L58 F64L39-R48 PolarHBondContact N-O 3.31Å; L39-R48 PolarHBondContact O-N 2.92Å; L39-L50 HydrophobicContact CB-CD2 4.17Å; L39-L50 HydrophobicContact CD1-CD2 3.46Å; L39-L50 VanDerWaalsContact CD1-CD2 3.46Å; L39-L50 HydrophobicContact CG-CD1 4.35Å; L39-L50 HydrophobicContact CG-CD2 3.52Å; L39-L50 HydrophobicContact CG-CG 4.22Å; L39-L58 HydrophobicContact CD2-CD2 3.61Å; L39-F64 HydrophobicContact CD2-CB 4.13Å
40L81.8Confident73Confident20 Ų2072.5 Ų72.511%0.10540%0.404CS..EExtended strand (participates in β ladder)trans-128.694.5-179-164.673.5000107.7S42 D45 P47 Q63 I72L40-S42 WeakPolarHBondContact CG-O 3.37Å; L40-D45 WeakPolarHBondContact CD1-O 3.34Å; L40-P47 HydrophobicContact CD1-CB 4.33Å; L40-Q63 HydrophobicContact CB-CB 3.99Å; L40-Q63 HydrophobicContact CD2-CB 4.28Å; L40-Q63 PolarHBondContact N-O 2.87Å; L40-I72 HydrophobicContact CD2-CG2 4.23Å
41L71.8Confident73.4Confident127 Ų12778.4 Ų78.467%0.66543%0.431SS*.SBendtrans-71.8-33.7-172.2-66.8168.8000112.4
42S70.3Confident74.3Confident50 Ų5086.1 Ų86.135%0.3544%0.442SS..SBendtrans-130.9145.2168.5-179.30000107.9L40 N44 D45L40-S42 WeakPolarHBondContact CG-O 3.37Å; S42-N44 PolarHBondContact O-N 2.87Å; S42-D45 VanDerWaalsContact CB-OD2 3.27Å; S42-D45 WeakPolarHBondContact CB-OD2 3.28Å; S42-D45 PolarHBondContact N-OD2 2.86Å; S42-D45 VanDerWaalsContact N-OD2 3.14Å; S42-D45 PolarHBondContact O-N 2.87Å
43P69.1Low75.2Confident79 Ų7988.6 Ų88.651%0.51347%0.474SS..THydrogen-bonded Turntrans-59.2-11.5-176.722.7-35.1000115.5
44N67.2Low76.5Confident154 Ų15485.8 Ų85.882%0.82447%0.466SS*.THydrogen-bonded Turntrans-112.74177.9-59.5-31.5000113.8S42S42-N44 PolarHBondContact O-N 2.87Å
45D72.6Confident77.5Confident74 Ų7487.8 Ų87.840%0.39647%0.466SS..SBendtrans-78.7156.4177.3-76.8-20.5000111.9L40 S42L40-D45 WeakPolarHBondContact CD1-O 3.34Å; S42-D45 VanDerWaalsContact CB-OD2 3.27Å; S42-D45 WeakPolarHBondContact CB-OD2 3.28Å; S42-D45 PolarHBondContact N-OD2 2.86Å; S42-D45 VanDerWaalsContact N-OD2 3.14Å; S42-D45 PolarHBondContact O-N 2.87Å
46D74.6Confident78.2Confident144 Ų14488 Ų8877%0.7746%0.464SS*.  trans-61.9129168.3-83.7-52.8000111.4R48D46-R48 PolarHBondContact O-N 2.89Å
47P80.4Confident78.8Confident47 Ų4794.9 Ų94.931%0.30548%0.481SS..  trans-66.4115.6-177.325.8-33.8000111.2F38 L40F38-P47 HydrophobicContact CB-CB 3.72Å; F38-P47 HydrophobicContact CD1-CB 4.13Å; F38-P47 WeakPolarHBondContact CD1-O 3.38Å; F38-P47 HydrophobicContact CG-CB 4.09Å; L40-P47 HydrophobicContact CD1-CB 4.33Å
48R81.7Confident79.1Confident163 Ų16396.1 Ų96.162%0.61549%0.486SS*.EExtended strand (participates in β ladder)trans-87118.8-175.4-62.4-171.3-179.9-150.2-0.2110.7F38 L39 D46 L50F38-R48 CarbonylContact C-O 3.47Å; F38-R48 VanDerWaalsContact CA-O 3.23Å; F38-R48 WeakPolarHBondContact CA-O 3.25Å; L39-R48 PolarHBondContact N-O 3.31Å; L39-R48 PolarHBondContact O-N 2.92Å; D46-R48 PolarHBondContact O-N 2.89Å; R48-L50 PolarHBondContact O-N 3.48Å
49P84.8Confident79.1Confident89 Ų89100.1 Ų100.158%0.57851%0.505SS*.EExtended strand (participates in β ladder)trans-65.5133.1-17826.4-33.9000111.3P36 F38P36-P49 HydrophobicContact CB-CB 4.41Å; F38-P49 HydrophobicContact CD1-CB 3.87Å; F38-P49 HydrophobicContact CE1-CB 3.89Å
50L82.8Confident79.3Confident28 Ų28103.7 Ų103.715%0.14752%0.524CS..PPolyproline II helixtrans-75.5144.6172.7-64.9-174.9000111C37 L39 R48 H56C37-L50 HydrophobicContact CB-CD1 4.15Å; C37-L50 WeakPolarHBondContact O-CB 3.26Å; C37-L50 PolarHBondContact O-N 3.1Å; L39-L50 HydrophobicContact CB-CD2 4.17Å; L39-L50 HydrophobicContact CD1-CD2 3.46Å; L39-L50 VanDerWaalsContact CD1-CD2 3.46Å; L39-L50 HydrophobicContact CG-CD1 4.35Å; L39-L50 HydrophobicContact CG-CD2 3.52Å; L39-L50 HydrophobicContact CG-CG 4.22Å; R48-L50 PolarHBondContact O-N 3.48Å; L50-H56 HydrophobicContact CD1-CB 4.25Å; L50-H56 HydrophobicContact CD2-CB 4.43Å; L50-H56 WeakPolarHBondContact CD2-CD2 3.41Å
51E79.9Confident79.5Confident141 Ų141104 Ų10466%0.65953%0.532SS*.PPolyproline II helixtrans-68.7134173.7177-174.9-131.900110.6G53 S54E51-G53 PolarHBondContact O-N 2.85Å; E51-S54 WeakPolarHBondContact CB-OG 3.41Å; E51-S54 WeakPolarHBondContact CG-OG 3.5Å; E51-S54 PolarHBondContact O-OG 2.81Å; E51-S54 WeakPolarHBondContact OE2-CB 3.34Å; E51-S54 PolarHBondContact OE2-OG 2.76Å
52R80.1Confident80.2Confident219 Ų219100.5 Ų100.583%0.82651%0.514SS*.THydrogen-bonded Turntrans-80.5103.2-175.5-176.1-168.464.6-173.2-4.4111.3
53G75.8Confident81.2Confident83 Ų8398.5 Ų98.586%0.85650%0.499SS*.THydrogen-bonded Turntrans117-3.117200000114.3E51E51-G53 PolarHBondContact O-N 2.85Å
54S82.9Confident82.1Confident44 Ų4494.8 Ų94.831%0.30848%0.475SS..SBendtrans-97.5145.3169.440.90000111.2E51 H56E51-S54 WeakPolarHBondContact CB-OG 3.41Å; E51-S54 WeakPolarHBondContact CG-OG 3.5Å; E51-S54 PolarHBondContact O-OG 2.81Å; E51-S54 WeakPolarHBondContact OE2-CB 3.34Å; E51-S54 PolarHBondContact OE2-OG 2.76Å; S54-H56 PolarHBondContact O-CE1 2.85Å; S54-H56 PolarHBondContact O-ND1 3.2Å; S54-H56 PolarHBondContact OG-CE1 3.11Å
55W82.8Confident83.1Confident161 Ų16187.7 Ų87.761%0.6144%0.437SS*.  trans-78.5130178.5-73.1109.9000110.8E21 V23E21-W55 HydrophobicContact CB-CH2 3.75Å; E21-W55 HydrophobicContact CB-CZ2 4.29Å; E21-W55 HydrophobicContact CB-CZ3 4.03Å; V23-W55 HydrophobicContact CG2-CH2 3.69Å; V23-W55 HydrophobicContact CG2-CZ3 4.25Å
56H83Confident83.7Confident73 Ų7384.2 Ų84.234%0.33842%0.419SS..  trans-114.8121.2179.4-66.579.6000109L50 S54L50-H56 HydrophobicContact CD1-CB 4.25Å; L50-H56 HydrophobicContact CD2-CB 4.43Å; L50-H56 WeakPolarHBondContact CD2-CD2 3.41Å; S54-H56 PolarHBondContact O-CE1 2.85Å; S54-H56 PolarHBondContact O-ND1 3.2Å; S54-H56 PolarHBondContact OG-CE1 3.11Å
57R86.6Confident84Confident215 Ų21579.2 Ų79.281%0.81139%0.392SS*.PPolyproline II helixtrans-83.7120.9-179.5-173.7177.9-171.5163.52.6109.5
58L86.6Confident83.9Confident45 Ų4581.3 Ų81.324%0.23641%0.405CS..PPolyproline II helixtrans-100.8142.5175.6-51.3-173.5000110.7L24 L39 D62 F64 V75L24-L58 HydrophobicContact CD1-CD1 4.1Å; L39-L58 HydrophobicContact CD2-CD2 3.61Å; L58-D62 WeakPolarHBondContact CA-OD2 3.41Å; L58-F64 HydrophobicContact CD1-CD1 3.52Å; L58-F64 HydrophobicContact CD1-CE1 3.67Å; L58-F64 HydrophobicContact CD1-CG 4.46Å; L58-V75 HydrophobicContact CB-CG2 3.97Å; L58-V75 HydrophobicContact CD1-CG2 3.85Å
59H84.2Confident83.6Confident111 Ų11176.3 Ų76.351%0.51441%0.405SS..PPolyproline II helixtrans-103.8164.8175.8-67.2-100.9000110.9G61 D62 V75H59-G61 PolarHBondContact O-N 3.38Å; H59-D62 PolarHBondContact N-OD2 2.84Å; H59-D62 WeakPolarHBondContact O-CB 3.29Å; H59-D62 PolarHBondContact O-N 2.86Å; H59-V75 WeakPolarHBondContact O-CB 3.23Å
60L86.4Confident83.5Confident110 Ų11079.7 Ų79.758%0.57641%0.406SS*.THydrogen-bonded Turntrans-69.5124.4177.6-172.5157000109.4F4 A77F4-L60 HydrophobicContact CE1-CB 4.48Å; F4-L60 HydrophobicContact CE1-CD1 4.48Å; L60-A77 HydrophobicContact CD1-CB 3.68Å
61G85.3Confident83.6Confident27 Ų2782.5 Ų82.528%0.27842%0.417SS..THydrogen-bonded Turntrans105.7-23.5-173.400000113.7H59 R74 V75H59-G61 PolarHBondContact O-N 3.38Å; G61-R74 WeakPolarHBondContact O-CG 3.4Å; G61-R74 PolarHBondContact O-NH1 3.01Å; G61-V75 PolarHBondContact N-O 3.13Å
62D88.2Confident84Confident54 Ų5477.1 Ų77.129%0.28939%0.393SS..  trans-58.9148-179-69.28000111.9L58 H59 R74 V75L58-D62 WeakPolarHBondContact CA-OD2 3.41Å; H59-D62 PolarHBondContact N-OD2 2.84Å; H59-D62 WeakPolarHBondContact O-CB 3.29Å; H59-D62 PolarHBondContact O-N 2.86Å; D62-R74 WeakPolarHBondContact O-CA 3.38Å; D62-V75 PolarHBondContact O-N 3.16Å
63Q90.4Very high84.4Confident8 Ų867.9 Ų67.94%0.03736%0.358CS..EExtended strand (participates in β ladder)trans-118.7142.2175.6-64.5-178.5-103.100111.6L40 Y73 R74L40-Q63 HydrophobicContact CB-CB 3.99Å; L40-Q63 HydrophobicContact CD2-CB 4.28Å; L40-Q63 PolarHBondContact N-O 2.87Å; Q63-Y73 VanDerWaalsContact CA-O 3.28Å; Q63-Y73 WeakPolarHBondContact CA-O 3.18Å; Q63-R74 VanDerWaalsContact CD-NH1 3.31Å; Q63-R74 HydrophobicContact CG-CB 4.1Å; Q63-R74 HydrophobicContact CG-CG 4.04Å; Q63-R74 VanDerWaalsContact CG-NH1 3.34Å
64F88.6Confident85.1Confident0 Ų068.7 Ų68.70%034%0.335CS..EExtended strand (participates in β ladder)trans-142.8158171.571.6-92.9000110.9L6 L24 L30 F38 L39 L58 L66 I72 Y73 V75L6-F64 HydrophobicContact CD1-CE1 4.34Å; L6-F64 HydrophobicContact CD1-CZ 3.81Å; L6-F64 HydrophobicContact CD2-CE1 3.69Å; L6-F64 HydrophobicContact CD2-CZ 4.04Å; L24-F64 HydrophobicContact CD1-CD2 4.28Å; L24-F64 HydrophobicContact CD1-CE1 4.23Å; L24-F64 HydrophobicContact CD1-CE2 4.02Å; L24-F64 HydrophobicContact CD1-CZ 3.98Å; L24-F64 HydrophobicContact CD2-CE1 4.38Å; L24-F64 HydrophobicContact CD2-CE2 4.18Å; L24-F64 HydrophobicContact CD2-CZ 3.71Å; L24-F64 HydrophobicContact CG-CZ 4.43Å; L30-F64 HydrophobicContact CD1-CE2 4.36Å; L30-F64 HydrophobicContact CD1-CZ 4.35Å; F38-F64 CarbonylContact O-C 3.44Å; F38-F64 WeakPolarHBondContact O-CA 3.19Å; F38-F64 WeakPolarHBondContact O-CB 3.36Å; L39-F64 HydrophobicContact CD2-CB 4.13Å; L58-F64 HydrophobicContact CD1-CD1 3.52Å; L58-F64 HydrophobicContact CD1-CE1 3.67Å; L58-F64 HydrophobicContact CD1-CG 4.46Å; F64-L66 HydrophobicContact CD2-CD2 4.35Å; F64-L66 HydrophobicContact CE2-CD2 3.96Å; F64-L66 HydrophobicContact CE2-CG 4.48Å; F64-I72 CarbonylContact O-C 3.59Å; F64-I72 WeakPolarHBondContact O-CA 3.43Å; F64-Y73 AromaticContact CE2-CD2 3.97Å; F64-Y73 HydrophobicContact CE2-CD2 3.97Å; F64-Y73 HydrophobicContact CZ-CD2 4.25Å; F64-Y73 HydrophobicContact CZ-CG 4.36Å; F64-Y73 PolarHBondContact N-O 2.93Å; F64-Y73 PolarHBondContact O-N 2.89Å; F64-V75 HydrophobicContact CE1-CG2 4.47Å
65S87.5Confident85.5Confident5 Ų567 Ų674%0.03532%0.323CS..EExtended strand (participates in β ladder)trans-125.6149.7175.277.80000112.4C37 F38 L67 F71C37-S65 CarbonylContact C-O 3.56Å; C37-S65 WeakPolarHBondContact CA-O 3.49Å; F38-S65 PolarHBondContact N-O 3.1Å; F38-S65 PolarHBondContact O-N 3.21Å; S65-L67 VanDerWaalsContact CB-O 3.25Å; S65-L67 WeakPolarHBondContact CB-O 3.24Å; S65-L67 PolarHBondContact OG-O 2.78Å; S65-F71 WeakPolarHBondContact CA-O 3.36Å
66L85Confident85.8Confident2 Ų260.5 Ų60.51%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-91.2-13.6176.8-58.1176.7000112.9L30 T32 F64 F71 Y73L30-L66 HydrophobicContact CB-CD1 3.87Å; L30-L66 HydrophobicContact CD1-CD1 4.34Å; L30-L66 HydrophobicContact CD1-CD2 4.38Å; L30-L66 HydrophobicContact CD2-CD1 4.22Å; L30-L66 HydrophobicContact CG-CD1 4.36Å; T32-L66 WeakPolarHBondContact OG1-CD1 3.36Å; F64-L66 HydrophobicContact CD2-CD2 4.35Å; F64-L66 HydrophobicContact CE2-CD2 3.96Å; F64-L66 HydrophobicContact CE2-CG 4.48Å; L66-F71 HydrophobicContact CB-CB 4.13Å; L66-F71 HydrophobicContact CD1-CB 4.4Å; L66-F71 HydrophobicContact CG-CB 4.46Å; L66-F71 PolarHBondContact N-O 3.18Å; L66-Y73 HydrophobicContact CD1-CE2 3.64Å; L66-Y73 HydrophobicContact CG-CD2 4.48Å; L66-Y73 HydrophobicContact CG-CE2 3.99Å
67L80.9Confident86Confident39 Ų3959.2 Ų59.220%0.20431%0.306CS..EExtended strand (participates in β ladder)trans-139161.3172.2-64.2179.6000109.2N35 S65 G69 R70 F71N35-L67 HydrophobicContact CB-CD2 4.37Å; N35-L67 WeakPolarHBondContact ND2-CD2 3.13Å; S65-L67 VanDerWaalsContact CB-O 3.25Å; S65-L67 WeakPolarHBondContact CB-O 3.24Å; S65-L67 PolarHBondContact OG-O 2.78Å; L67-G69 PolarHBondContact O-N 3.43Å; L67-G69 VanDerWaalsContact O-N 3.1Å; L67-R70 HydrophobicContact CB-CB 4.14Å; L67-R70 HydrophobicContact CD1-CB 4.35Å; L67-R70 PolarHBondContact N-O 3.35Å; L67-R70 PolarHBondContact O-N 3.3Å; L67-F71 HydrophobicContact CD1-CD2 3.68Å; L67-F71 HydrophobicContact CD1-CE2 3.68Å; L67-F71 HydrophobicContact CG-CD2 4.04Å; L67-F71 HydrophobicContact CG-CE2 4.47Å
68P77.8Confident85.3Confident90 Ų9050 Ų5058%0.58428%0.276SS*.THydrogen-bonded Turntrans-56.3117.4167.4-21.933.6000110.3F38 R70F38-P68 HydrophobicContact CE2-CG 3.93Å; F38-P68 HydrophobicContact CZ-CG 3.78Å; P68-R70 VanDerWaalsContact C-N 3.28Å; P68-R70 PolarHBondContact O-N 3.4Å
69G76.4Confident84Confident59 Ų5950.9 Ų50.961%0.60830%0.295SS*.THydrogen-bonded Turntrans6220.117600000116.8L67L67-G69 PolarHBondContact O-N 3.43Å; L67-G69 VanDerWaalsContact O-N 3.1Å
70R83.1Confident82.3Confident160 Ų16049.8 Ų49.860%0.60431%0.306SS*.EExtended strand (participates in β ladder)trans-148.1152.9178-49.8177.869.890.31.8112L67 P68L67-R70 HydrophobicContact CB-CB 4.14Å; L67-R70 HydrophobicContact CD1-CB 4.35Å; L67-R70 PolarHBondContact N-O 3.35Å; L67-R70 PolarHBondContact O-N 3.3Å; P68-R70 VanDerWaalsContact C-N 3.28Å; P68-R70 PolarHBondContact O-N 3.4Å
71F83.7Confident80.5Confident87 Ų8753.1 Ų53.138%0.38232%0.318SS..EExtended strand (participates in β ladder)trans55.655.6-175.4-56.2-70.9000110.1D10 T32 S65 L66 L67 Y73D10-F71 WeakPolarHBondContact OD2-CA 3.38Å; D10-F71 PolarHBondContact OD2-N 2.92Å; T32-F71 HydrophobicContact CG2-CE2 4.43Å; S65-F71 WeakPolarHBondContact CA-O 3.36Å; L66-F71 HydrophobicContact CB-CB 4.13Å; L66-F71 HydrophobicContact CD1-CB 4.4Å; L66-F71 HydrophobicContact CG-CB 4.46Å; L66-F71 PolarHBondContact N-O 3.18Å; L67-F71 HydrophobicContact CD1-CD2 3.68Å; L67-F71 HydrophobicContact CD1-CE2 3.68Å; L67-F71 HydrophobicContact CG-CD2 4.04Å; L67-F71 HydrophobicContact CG-CE2 4.47Å; F71-Y73 HydrophobicContact CB-CE2 3.95Å; F71-Y73 VanDerWaalsContact O-CD2 3.25Å; F71-Y73 WeakPolarHBondContact O-CD2 3.08Å; F71-Y73 VanDerWaalsContact O-CE2 3.26Å; F71-Y73 WeakPolarHBondContact O-CE2 3.21Å
72I88.6Confident78.7Confident28 Ų2863.3 Ų63.314%0.14435%0.348CS..EExtended strand (participates in β ladder)trans-88.6127.2178.5-46.3-180000108.1V9 D10 L40 F64V9-I72 HydrophobicContact CB-CB 4.12Å; V9-I72 HydrophobicContact CB-CG2 4.33Å; V9-I72 HydrophobicContact CG2-CB 4.1Å; V9-I72 HydrophobicContact CG2-CG2 3.82Å; V9-I72 WeakPolarHBondContact CG2-O 3.25Å; V9-I72 PolarHBondContact N-O 3.11Å; D10-I72 PolarHBondContact OD2-N 3.47Å; L40-I72 HydrophobicContact CD2-CG2 4.23Å; F64-I72 CarbonylContact O-C 3.59Å; F64-I72 WeakPolarHBondContact O-CA 3.43Å
73Y88.6Confident76.6Confident24 Ų2466.5 Ų66.59%0.09438%0.375CS..EExtended strand (participates in β ladder)trans-118.3142.7178.9-60.3-91.2000110.4L6 V7 P8 L30 Q63 F64 L66 F71L6-Y73 HydrophobicContact CB-CD1 3.93Å; L6-Y73 HydrophobicContact CB-CG 4.35Å; V7-Y73 CarbonylContact O-C 3.58Å; V7-Y73 WeakPolarHBondContact O-CA 3.39Å; P8-Y73 HydrophobicContact CB-CD1 4.44Å; P8-Y73 HydrophobicContact CB-CE1 4.37Å; P8-Y73 HydrophobicContact CG-CD1 4.17Å; P8-Y73 HydrophobicContact CG-CE1 3.96Å; L30-Y73 HydrophobicContact CD2-CD1 4.44Å; L30-Y73 HydrophobicContact CD2-CD2 4.41Å; L30-Y73 HydrophobicContact CD2-CE1 3.87Å; L30-Y73 HydrophobicContact CD2-CE2 3.86Å; Q63-Y73 VanDerWaalsContact CA-O 3.28Å; Q63-Y73 WeakPolarHBondContact CA-O 3.18Å; F64-Y73 AromaticContact CE2-CD2 3.97Å; F64-Y73 HydrophobicContact CE2-CD2 3.97Å; F64-Y73 HydrophobicContact CZ-CD2 4.25Å; F64-Y73 HydrophobicContact CZ-CG 4.36Å; F64-Y73 PolarHBondContact N-O 2.93Å; F64-Y73 PolarHBondContact O-N 2.89Å; L66-Y73 HydrophobicContact CD1-CE2 3.64Å; L66-Y73 HydrophobicContact CG-CD2 4.48Å; L66-Y73 HydrophobicContact CG-CE2 3.99Å; F71-Y73 HydrophobicContact CB-CE2 3.95Å; F71-Y73 VanDerWaalsContact O-CD2 3.25Å; F71-Y73 WeakPolarHBondContact O-CD2 3.08Å; F71-Y73 VanDerWaalsContact O-CE2 3.26Å; F71-Y73 WeakPolarHBondContact O-CE2 3.21Å
74R91.2Very high74.3Confident100 Ų10069.6 Ų69.638%0.37740%0.402SS..EExtended strand (participates in β ladder)trans-104.3136.3166.2-168.5-176-62.9-74.91.3110.2V7 G61 D62 Q63V7-R74 PolarHBondContact N-O 2.73Å; V7-R74 PolarHBondContact O-N 2.79Å; G61-R74 WeakPolarHBondContact O-CG 3.4Å; G61-R74 PolarHBondContact O-NH1 3.01Å; D62-R74 WeakPolarHBondContact O-CA 3.38Å; Q63-R74 VanDerWaalsContact CD-NH1 3.31Å; Q63-R74 HydrophobicContact CG-CB 4.1Å; Q63-R74 HydrophobicContact CG-CG 4.04Å; Q63-R74 VanDerWaalsContact CG-NH1 3.34Å
75V90.5Very high72.3Confident9 Ų976 Ų766%0.05544%0.444CS..EExtended strand (participates in β ladder)trans-77.1125.6172.4-178.50000110.1F4 L6 L58 H59 G61 D62 F64F4-V75 HydrophobicContact CD1-CG1 4.12Å; L6-V75 HydrophobicContact CD2-CG2 3.97Å; L58-V75 HydrophobicContact CB-CG2 3.97Å; L58-V75 HydrophobicContact CD1-CG2 3.85Å; H59-V75 WeakPolarHBondContact O-CB 3.23Å; G61-V75 PolarHBondContact N-O 3.13Å; D62-V75 PolarHBondContact O-N 3.16Å; F64-V75 HydrophobicContact CE1-CG2 4.47Å
76A88.6Confident70.1Confident25 Ų2586.8 Ų86.821%0.20748%0.483CS..EExtended strand (participates in β ladder)trans-131.7162.7179.400000111.9F4 G5 V7 A78F4-A76 WeakPolarHBondContact CA-O 3.38Å; G5-A76 PolarHBondContact N-O 3.13Å; G5-A76 PolarHBondContact O-N 3.06Å; V7-A76 HydrophobicContact CG2-CB 3.91Å; A76-A78 PolarHBondContact O-N 3.15Å
77A86.8Confident68.2Low45 Ų4592.1 Ų92.137%0.37251%0.512SS..EExtended strand (participates in β ladder)trans-78114.2171.100000110.7L60 G79L60-A77 HydrophobicContact CD1-CB 3.68Å; A77-G79 PolarHBondContact O-N 3.35Å
78A72.3Confident66.8Low22 Ų2295.8 Ų95.818%0.18254%0.541CS..EExtended strand (participates in β ladder)trans-77.191169.300000108.6G3 A76G3-A78 PolarHBondContact N-O 2.82Å; G3-A78 PolarHBondContact O-N 3.33Å; A76-A78 PolarHBondContact O-N 3.15Å
79G60.7Low65.2Low63 Ų6399.2 Ų99.265%0.64955%0.549SS*.THydrogen-bonded Turntrans164-15.9-174.200000114.5A77 E81A77-G79 PolarHBondContact O-N 3.35Å; G79-E81 PolarHBondContact O-N 3.32Å; G79-E81 VanDerWaalsContact O-N 3.13Å
80A48.7Very low63.2Low89 Ų89101.9 Ų101.974%0.73655%0.55SS*.  trans-71.8100.2161.400000108.9
81E46.7Very low60.8Low179 Ų179103.3 Ų103.384%0.83656%0.56SS**  trans-55.8161161.8-174.4171.1-129.700109.9G79 S83G79-E81 PolarHBondContact O-N 3.32Å; G79-E81 VanDerWaalsContact O-N 3.13Å; E81-S83 VanDerWaalsContact C-N 3.31Å; E81-S83 PolarHBondContact O-N 2.88Å
82R48.9Very low58.8Low242 Ų242104.5 Ų104.591%0.91357%0.567SS**  trans-63.385.2-176.6-65.7179-179.8-121.32.7112A84R82-A84 PolarHBondContact O-N 3.42Å
83S43.6Very low56.2Low121 Ų121110.3 Ų110.385%0.84660%0.598SS**  trans-6283.8155.8-69.70000108.3E81E81-S83 VanDerWaalsContact C-N 3.31Å; E81-S83 PolarHBondContact O-N 2.88Å
84A41.6Very low53.9Low72 Ų72117 Ų11760%0.59563%0.631SS**  trans-57.6142.1178.900000109.7R82 R86R82-A84 PolarHBondContact O-N 3.42Å; A84-R86 PolarHBondContact O-N 3.4Å
85P48Very low51.3Low136 Ų136121 Ų12188%0.88365%0.654SS**  trans-69.381.6172.329.9-34.1000108.9N87P85-N87 PolarHBondContact O-N 2.78Å; P85-N87 VanDerWaalsContact O-N 3.08Å
86R40.2Very low48.5Very low230 Ų230123.9 Ų123.987%0.86869%0.685SS**  trans-72.3105.3-178.5-176.7174176.8167.5-1108.7A84 S88A84-R86 PolarHBondContact O-N 3.4Å; R86-S88 PolarHBondContact O-N 2.9Å
87N45.2Very low45.7Very low114 Ų114127.6 Ų127.661%0.6172%0.716SS**  trans-24.7119.3174.2-178.35.7000114.2P85 Q89P85-N87 PolarHBondContact O-N 2.78Å; P85-N87 VanDerWaalsContact O-N 3.08Å; N87-Q89 PolarHBondContact ND2-OE1 3.27Å; N87-Q89 WeakPolarHBondContact OD1-CG 3.09Å; N87-Q89 PolarHBondContact OD1-N 2.86Å; N87-Q89 PolarHBondContact OD1-OE1 3.23Å
88S50.7Low43.4Very low116 Ų116132.5 Ų132.581%0.81174%0.735SS**  trans-131.171163.264.20000109.9R86 N90R86-S88 PolarHBondContact O-N 2.9Å; S88-N90 PolarHBondContact O-N 2.94Å
89Q44.1Very low42.1Very low162 Ų162137.6 Ų137.676%0.75777%0.766SS**  trans-58.7123.8164.1-78.1167.4-90.300110.3N87N87-Q89 PolarHBondContact ND2-OE1 3.27Å; N87-Q89 WeakPolarHBondContact OD1-CG 3.09Å; N87-Q89 PolarHBondContact OD1-N 2.86Å; N87-Q89 PolarHBondContact OD1-OE1 3.23Å
90N36.2Very low41Very low116 Ų116141.6 Ų141.662%0.6277%0.772SS**  trans28.1110.2140.2-162.992.9000118S88 E92S88-N90 PolarHBondContact O-N 2.94Å; N90-E92 PolarHBondContact ND2-OE1 2.86Å
91F31.6Very low40.7Very low189 Ų189143.4 Ų143.483%0.82978%0.776SS**  trans-142.3115.6141.1-139.9-89.3000112.2
92E41.6Very low40.1Very low113 Ų113139.8 Ų139.853%0.52878%0.777SS.*  trans-25.2159.3157.4-69.6123.9-152.800119.2N90N90-E92 PolarHBondContact ND2-OE1 2.86Å
93D34.9Very low39.3Very low149 Ų149131.5 Ų131.580%0.79777%0.767SS**  trans66156.7148.9-76.3-149.6000119.8
94E39.4Very low39.1Very low166 Ų166132 Ų13278%0.77677%0.77SS**  cis-154.1-149.5-26.6-158.1-138.860.500108.6
95E37.5Very low38.6Very low183 Ų183136.2 Ų136.286%0.85578%0.783SS**  trans-69.7143.9-166.9-164.2169.1103.800114.8
96G30.3Very low38Very low70 Ų70133.9 Ų133.972%0.72278%0.775SS**  trans-171.970.8-173.200000120.2
97A31.5Very low37.6Very low102 Ų102127.9 Ų127.984%0.84377%0.774SS**  trans61.5135.7153.800000122
98L36.7Very low36.9Very low148 Ų148126.8 Ų126.878%0.77578%0.781SS**  trans-82.2169.5166.2-58.5173.9000111.4
99P45Very low36.9Very low130 Ų130126.8 Ų126.884%0.84478%0.779SS**  -139155.9100.135.5-22.8000115.9
100L37.6Very low37.1Very low147 Ų147124 Ų12477%0.7778%0.775SS**  trans-84.1173.6174.5-59.6167.3000111.9
101P44.3Very low36.9Very low126 Ų126124.9 Ų124.982%0.81878%0.784SS**  trans-117.6148.3132.335.1-31.4000113
102A33.3Very low37Very low104 Ų104122.9 Ų122.986%0.8679%0.787SS**  trans-71.4165.616700000110.9
103G31.8Very low36.6Very low67 Ų67128.7 Ų128.769%0.69180%0.804SS**  cis130.4132.5500000110.8
104S38.8Very low36.4Very low131 Ų131128.8 Ų128.892%0.91680%0.803SS**  trans-163.5166.9175.7-79.30000109.8
105D32.4Very low35.9Very low162 Ų162123.6 Ų123.687%0.86680%0.795SS**  trans-125.4167.6-132.2-143.2-31.2000116.5
106A35.2Very low35.7Very low86 Ų86122.3 Ų122.371%0.71179%0.789SS**  trans80.3138.614900000123
107A30.8Very low35.7Very low104 Ų104127.2 Ų127.286%0.8679%0.793SS**  trans83.7125.2146.400000122
108A31.2Very low36Very low92 Ų92129.7 Ų129.776%0.7679%0.787SS**  trans-126.9-171.1157.100000107
109P50.8Low35.7Very low116 Ų116128.7 Ų128.775%0.75379%0.787SS**  cis-126.5-136-7.342.6-22.4000109.2
110P48.8Very low35.4Very low104 Ų104127.7 Ų127.768%0.67578%0.784SS**  cis-131168.9-29.137.8-20.4000116.2
111V31.8Very low34.9Very low134 Ų134126.4 Ų126.481%0.81279%0.786SS**  trans37.9122.6142.7179.40000122.1
112V33.2Very low34.4Very low147 Ų147124.5 Ų124.589%0.89178%0.78SS**  -157159.5129-103.20000112.3
113R32.3Very low34.4Very low234 Ų234126.1 Ų126.188%0.88377%0.774SS**  trans-116.6154.9171.5-85.1-176.6163.4-162.8-2.8109
114L31.3Very low34.6Very low151 Ų151134.6 Ų134.679%0.79179%0.785SS**  169.6160.382.9-179.159.8000110.8
115G29.3Very low34.4Very low58 Ų58134.3 Ų134.360%0.59877%0.774SS**  trans119.7105176.800000110.3
116Q32.5Very low34.6Very low156 Ų156136.4 Ų136.473%0.72977%0.769SS**  61.8128.665.5-59.4179.1-93.100111.4
117E31.3Very low34.6Very low172 Ų172139 Ų13980%0.80477%0.767SS**  cis-122.2153.223.8-67.7173.8101.800111.6
118Q38.4Very low34.7Very low154 Ų154139.1 Ų139.172%0.7276%0.761SS**  55.7129.463.2-61.1-170.9110.600112.8
119T29.8Very low34.8Very low127 Ų127139.1 Ų139.178%0.77976%0.755SS**  cis-145.1173.48.346.20000109.9
120S37.9Very low34Very low110 Ų110140.5 Ų140.577%0.76976%0.757SS**  cis-164.2-178.8-23.253.40000110
121C28.5Very low33.4Very low120 Ų120144 Ų14481%0.81176%0.761SS**  trans-84.7-176.7171.659.50000112.5
122A33.5Very low33.6Very low85 Ų85147.2 Ų147.270%0.70276%0.759SS**  cis-154.8151.211.700000115.3
123D33.6Very low33.6Very low138 Ų138147.6 Ų147.674%0.73875%0.751SS**  trans1.7130.7133.7-170.7-2.8000119.6N125D123-N125 PolarHBondContact OD1-N 3.05Å
124R35.6Very low33.8Very low245 Ų245143.6 Ų143.693%0.92574%0.742SS**  trans-158.5113.8131-113.4169.8-171.7-159.3-0.2115.3
125N34.8Very low34.3Very low126 Ų126142.6 Ų142.667%0.67474%0.742SS**  trans-61.7146.6161.7-179.516.4000112.4D123D123-N125 PolarHBondContact OD1-N 3.05Å
126R35.9Very low34.6Very low205 Ų205147.5 Ų147.577%0.77475%0.754SS**  167.2106.8121.9-163.1167.2-150.7-158.74.3117
127H34.8Very low35Very low141 Ų141145.9 Ų145.965%0.65376%0.755SS**  trans55.6135.3143.1-51176.8000123.9
128S32.6Very low35.4Very low107 Ų107148.5 Ų148.575%0.74876%0.758SS**  123.3140.6115.6-158.90000119.9
129S34.6Very low35.6Very low91 Ų91151.9 Ų151.964%0.63676%0.764SS**  trans70.7124.714733.30000121.9
130D33.6Very low36.3Very low146 Ų146153.2 Ų153.278%0.78177%0.765SS**  trans55.6128.9146.6-55.2-62.7000120.1
131F36.7Very low36.3Very low176 Ų176155 Ų15577%0.77277%0.766SS**  cis69.278.140.8-166.2-98.5000115
132R35.1Very low37.1Very low203 Ų203153.1 Ų153.177%0.76677%0.768SS**  trans170.9172.7132.4-96.9-168.5-169-127.17110.1
133Q34.7Very low37.5Very low155 Ų155155.3 Ų155.372%0.72477%0.772SS**  trans73.4136.8163.4-52.5-146.1-61.800116.9
134E35.1Very low38.2Very low149 Ų149158.1 Ų158.170%0.69678%0.78SS**  cis-158.4173-26.6-134144.3-119.100110.9L136E134-L136 PolarHBondContact O-N 2.9Å
135V43.2Very low38.7Very low131 Ų131151.6 Ų151.679%0.79477%0.772SS**  trans-67.9122171.8172.70000109.5
136L33.8Very low39.5Very low160 Ų160154 Ų15484%0.83879%0.785SS**  trans-135.5105.7166-128.7173.7000111.6E134 R138E134-L136 PolarHBondContact O-N 2.9Å; L136-R138 PolarHBondContact O-N 3.39Å
137T42Very low40.6Very low122 Ų122152 Ų15275%0.74879%0.785SS**  trans-67.3110.8177.650.10000111.1
138R39.8Very low42.2Very low228 Ų228148.8 Ų148.886%0.8678%0.783SS**  trans-87116.2158.1-86.8-171.9169.4-114.5-0.8109.8L136L136-R138 PolarHBondContact O-N 3.39Å
139R43.1Very low43.8Very low224 Ų224149.4 Ų149.485%0.84578%0.784SS**  trans-56.7144.5152-73.9-177.3173.2-170.2-1.5108.3
140L44.4Very low45.3Very low156 Ų156150.6 Ų150.682%0.81779%0.789SS**  trans-126.1137.4155.4-69.7176.1000107
141D36.3Very low47.2Very low146 Ų146148.9 Ų148.978%0.78179%0.787SS**PPolyproline II helixtrans-75.4158.2-172.2-62.7-85.4000112.4
142G45.8Very low48.8Very low82 Ų82146.1 Ų146.185%0.84579%0.786SS**PPolyproline II helixtrans-73.4132.4-165.400000114.5
143V41.6Very low50.5Low131 Ų131148 Ų14879%0.79479%0.794SS**PPolyproline II helixtrans-103.4122.7154.1175.90000107.2S145V143-S145 PolarHBondContact O-N 2.83Å
144Q48Very low52.4Low196 Ų196151.5 Ų151.592%0.91680%0.8SS**  trans-71.3115.5173-69.6-176.3103.800109.4
145S45.9Very low54.5Low108 Ų108156.3 Ų156.376%0.75581%0.812SS**  trans-99.8109.4157.2-640000107.6V143 E147V143-S145 PolarHBondContact O-N 2.83Å; S145-E147 PolarHBondContact O-N 3.29Å; S145-E147 VanDerWaalsContact O-N 3.14Å
146D52.5Low56.2Low177 Ų177156.3 Ų156.395%0.94781%0.812SS**  trans-77.791.3168.4-163.5-114.2000107.6
147E58.7Low58.4Low163 Ų163153.2 Ų153.276%0.76280%0.796SS**  trans-130.3130.7175.9177.960.910500108.3S145S145-E147 PolarHBondContact O-N 3.29Å; S145-E147 VanDerWaalsContact O-N 3.14Å
148A67.9Low60.3Low74 Ų74150.8 Ų150.861%0.61278%0.782SS**PPolyproline II helixtrans-75.3136.3-169.100000111.1
149P67.4Low61.9Low119 Ų119144 Ų14477%0.77377%0.774SS**PPolyproline II helixtrans-62.9132-179.625.1-33.7000110.7
150P66.5Low63.8Low116 Ų116142.5 Ų142.575%0.75377%0.769SS**PPolyproline II helixtrans-64142.8-175.425.2-34.4000111.5
151P72.7Confident65.4Low111 Ų111138.8 Ų138.872%0.72175%0.748SS**PPolyproline II helixtrans-63.1145.6-171.624.2-34.3000112.6R153P151-R153 PolarHBondContact O-N 3.21Å; P151-R153 VanDerWaalsContact O-N 3.1Å
152P69.4Low67.3Low118 Ų118136.1 Ų136.177%0.76673%0.732SS**  trans-63.2115.4-172.924.3-34.1000111.7R154P152-R154 PolarHBondContact O-N 3.4Å
153R71.9Confident68.1Low243 Ų243135.9 Ų135.992%0.91772%0.722SS**  trans-66.293.6-179.2-60.6-177.175.5-155.85.6110.7P151 R155P151-R153 PolarHBondContact O-N 3.21Å; P151-R153 VanDerWaalsContact O-N 3.1Å; R153-R155 PolarHBondContact O-N 3.16Å
154R73.8Confident68.8Low227 Ų227134 Ų13486%0.85772%0.72SS**  trans-62.7131.3178.1-57.8-178.377.1-175.74.4110P152 V156P152-R154 PolarHBondContact O-N 3.4Å; R154-V156 PolarHBondContact O-N 3.32Å
155R79.8Confident69.2Low250 Ų250130.6 Ų130.694%0.94371%0.713SS**  trans-74.4113.4172.7-63.5-175.3-177.8-152.70.6108.8R153R153-R155 PolarHBondContact O-N 3.16Å
156V79.1Confident69.6Low131 Ų131129.4 Ų129.479%0.79471%0.71SS**PPolyproline II helixtrans-98.7136174.3-176.30000108.5R154R154-V156 PolarHBondContact O-N 3.32Å
157L79.4Confident69.2Low96 Ų96125.2 Ų125.250%0.50370%0.699SS.*PPolyproline II helixtrans-74.7144.6177.6-68.3171000110.6M161 M162L157-M161 HydrophobicContact CB-SD 4.43Å; L157-M161 HydrophobicContact CD1-SD 4.02Å; L157-M161 HydrophobicContact CD2-SD 3.94Å; L157-M161 HydrophobicContact CG-SD 4.36Å; L157-M162 HydrophobicContact CB-CE 4.08Å; L157-M162 HydrophobicContact CB-SD 4.35Å; L157-M162 HydrophobicContact CD1-CE 3.56Å; L157-M162 HydrophobicContact CD1-SD 4.4Å; L157-M162 HydrophobicContact CG-CE 4.47Å
158P81.7Confident68.7Low71 Ų71123.1 Ų123.146%0.46170%0.7SS.*PPolyproline II helixtrans-56.6142.9176.2-26.135.6000112.6W160 M161P158-W160 PolarHBondContact O-N 2.93Å; P158-M161 WeakPolarHBondContact O-CB 3.14Å; P158-M161 PolarHBondContact O-N 3.06Å
159A73.8Confident67.7Low85 Ų85124.5 Ų124.570%0.70271%0.711SS**Hα-helixtrans-54.2-34.4-171.900000114.5M161 M162 A163A159-M161 PolarHBondContact O-N 3.08Å; A159-M162 PolarHBondContact O-N 3.19Å; A159-M162 VanDerWaalsContact O-N 3.08Å; A159-A163 PolarHBondContact O-N 3.27Å
160W82.5Confident66.8Low192 Ų192124.5 Ų124.573%0.72771%0.714SS**Hα-helixtrans-58.5-29.2177.571.6-102.1000113.4P158P158-W160 PolarHBondContact O-N 2.93Å
161M77.8Confident65.5Low79 Ų79128.7 Ų128.739%0.38972%0.72SS.*Hα-helixtrans-81-20.5-179.7-167.4174.6-71.900112.7L157 P158 A159L157-M161 HydrophobicContact CB-SD 4.43Å; L157-M161 HydrophobicContact CD1-SD 4.02Å; L157-M161 HydrophobicContact CD2-SD 3.94Å; L157-M161 HydrophobicContact CG-SD 4.36Å; P158-M161 WeakPolarHBondContact O-CB 3.14Å; P158-M161 PolarHBondContact O-N 3.06Å; A159-M161 PolarHBondContact O-N 3.08Å
162M76.8Confident64Low90 Ų90127.2 Ų127.244%0.44373%0.726SS.*Hα-helixtrans-91.3-21.1-179.5-58.1-69.685.500113L157 A159 A164 V165L157-M162 HydrophobicContact CB-CE 4.08Å; L157-M162 HydrophobicContact CB-SD 4.35Å; L157-M162 HydrophobicContact CD1-CE 3.56Å; L157-M162 HydrophobicContact CD1-SD 4.4Å; L157-M162 HydrophobicContact CG-CE 4.47Å; A159-M162 PolarHBondContact O-N 3.19Å; A159-M162 VanDerWaalsContact O-N 3.08Å; M162-A164 PolarHBondContact O-N 3.2Å; M162-A164 VanDerWaalsContact O-N 3.16Å; M162-V165 PolarHBondContact O-N 2.86Å
163A62.3Low62.7Low76 Ų76128.2 Ų128.263%0.62873%0.729SS**G310 helixtrans-58.5-28.3-178.800000114.1A159 V165A159-A163 PolarHBondContact O-N 3.27Å; A163-V165 VanDerWaalsContact C-N 3.31Å; A163-V165 PolarHBondContact O-N 3.43Å
164A56Low61.1Low92 Ų92126.6 Ų126.676%0.7673%0.729SS**G310 helixtrans-75.7-11.6-178.300000114.9M162M162-A164 PolarHBondContact O-N 3.2Å; M162-A164 VanDerWaalsContact O-N 3.16Å
165V57.2Low59.2Low124 Ų124126.4 Ų126.475%0.75273%0.728SS**G310 helixtrans-96-18.1-175.6-177.30000112.2M162 A163 A167M162-V165 PolarHBondContact O-N 2.86Å; A163-V165 VanDerWaalsContact C-N 3.31Å; A163-V165 PolarHBondContact O-N 3.43Å; V165-A167 PolarHBondContact O-N 2.98Å
166A54.9Low57.1Low84 Ų84120.1 Ų120.169%0.69472%0.723SS**  trans-95.954.2-172.700000113.6P168A166-P168 WeakPolarHBondContact O-CD 3.42Å
167A44.4Very low55.4Low88 Ų88123 Ų12373%0.72772%0.724SS**  trans-101.7105.5175.800000111.5V165V165-A167 PolarHBondContact O-N 2.98Å
168P47Very low53.6Low120 Ų120124.6 Ų124.678%0.77974%0.74SS**PPolyproline II helixtrans-75.9135.3177.630.3-33.8000111.6A166 S170A166-P168 WeakPolarHBondContact O-CD 3.42Å; P168-S170 PolarHBondContact O-N 3.42Å
169A47.5Very low51.1Low102 Ų102126.2 Ų126.284%0.84376%0.76SS**PPolyproline II helixtrans-65.6121.5176.600000111.5K171A169-K171 PolarHBondContact O-N 3.25Å
170S49.2Very low49.1Very low119 Ų119126.7 Ų126.783%0.83276%0.764SS**PPolyproline II helixtrans-77.2117.9-177.743.60000111.9P168P168-S170 PolarHBondContact O-N 3.42Å
171K39.3Very low46.7Very low204 Ų204123.5 Ų123.589%0.88777%0.766SS**PPolyproline II helixtrans-68.3131.5169.8-68.1-175.7178.3-178.80109.5A169A169-K171 PolarHBondContact O-N 3.25Å
172G39.7Very low44.8Very low81 Ų81128.9 Ų128.984%0.83579%0.79SS**PPolyproline II helixtrans-70.8140.9-171.900000114
173V42.6Very low43Very low138 Ų138129 Ų12984%0.83681%0.805SS**  trans-129.2116.8168.7179.80000109
174K37.6Very low42.3Very low209 Ų209130.9 Ų130.991%0.90981%0.811SS**  trans-133.697166.5-68.8-179.8-179175.50106.3
175R34.9Very low42.1Very low224 Ų224131.7 Ų131.785%0.84581%0.809SS**  83.693.282.5-172.7-175.5-170.3-175.66.9111.7
176S35.3Very low40.7Very low118 Ų118131 Ų13183%0.82580%0.804SS**  trans-65.2155.3172.1-34.90000112.6
177K43.5Very low39.7Very low190 Ų190134.6 Ų134.683%0.82681%0.811SS**  trans-139.9149.9162.2-114.4-171171.1-172.20108.8
178P40.8Very low39.1Very low130 Ų130135.5 Ų135.584%0.84481%0.812SS**  trans-83.9170.9-170.634.3-35.8000113.9
179A29.8Very low38.5Very low105 Ų105135.3 Ų135.387%0.86881%0.814SS**  trans-94.3163.9-166.800000115.5
180A32Very low38.8Very low96 Ų96136.1 Ų136.179%0.79381%0.811SS**  trans-150.792.2165.700000112.7
181T32.5Very low38.7Very low124 Ų124136 Ų13676%0.76181%0.806SS**  trans30.795.1138.5-48.90000121.2
182Q37.8Very low38.3Very low193 Ų193135.7 Ų135.790%0.90281%0.808SS**  -176179.5112.3-105.9153.2119.300113.3
183A38.8Very low37.9Very low91 Ų91135.7 Ų135.775%0.75281%0.808SS**  trans-122.1-153.4-157.100000114.2
184P46.9Very low37.4Very low117 Ų117133.7 Ų133.776%0.7681%0.807SS**  -121.4-152.2-12042.2-20.9000111.5
185P51.5Low37.1Very low109 Ų109132 Ų13271%0.70880%0.802SS**  cis-141.8-164.3-229.9-2.4000116.3
186T28.3Very low36.8Very low108 Ų108129.5 Ų129.566%0.66380%0.804SS**  trans101.9104.4139.8-56.10000121.2
187L33.6Very low36.3Very low161 Ų161130 Ų13084%0.84381%0.807SS**  trans65.4156.1146.5-62174.7000119.4
188S31.6Very low36Very low106 Ų106130.8 Ų130.874%0.74181%0.813SS**  cis-155.7175.2-4.330.70000111.3
189S35.8Very low35.7Very low117 Ų117134 Ų13482%0.81882%0.817SS**  trans-103.2-161.4-168.8-38.70000114.5
190P52.9Low36Very low119 Ų119137.6 Ų137.677%0.77382%0.816SS**  trans-113.9-165.6-133.840.6-20.1000114.4
191P47.8Very low36.1Very low115 Ų115137.5 Ų137.575%0.74782%0.815SS**  -148.6-173.98741.7-23.3000116.8
192E30.3Very low36.2Very low198 Ų198139.8 Ų139.893%0.92582%0.817SS**  trans-21149.1175-64.4163.571.900122.3
193G30.9Very low36.1Very low81 Ų81141.2 Ų141.284%0.83581%0.814SS**  trans179.2124.2162.900000111.6
194A32.9Very low36.2Very low97 Ų97141.4 Ų141.480%0.80281%0.808SS**  trans-85.4151.2-164.100000116.3
195E31.1Very low35.7Very low173 Ų173147 Ų14781%0.80881%0.814SS**  trans38.8114.6144.4-58.8-6887.900120.4
196L28.7Very low35.2Very low171 Ų171151.6 Ų151.690%0.89582%0.822SS**  167.1131.8121.9-91164.6000111.8
197C25.7Very low35.7Very low130 Ų130156.3 Ų156.388%0.87883%0.834SS**  trans-146.4130.6168.4-79.70000111.1
198E35.5Very low35.6Very low205 Ų205154.6 Ų154.696%0.95884%0.835SS**  trans-131.7153.9156.1-70.9-164.2112.800108.6
199E35.9Very low35.9Very low197 Ų197159.6 Ų159.692%0.92184%0.838SS**  trans-110.1158.6-163-167.3171.988.300113.5
200E34.7Very low35.6Very low182 Ų182158.4 Ų158.485%0.8584%0.835SS**  trans-63.5173.5173.3-69.4-148.398.800112.7
201A34.3Very low34.4Very low93 Ų93159 Ų15977%0.76983%0.829SS**  cis-165.7171.235.900000115.5
202E34.4Very low33.5Very low173 Ų173159.1 Ų159.181%0.80883%0.833SS**  trans-84.3-179.4179.1-108.6-113.972.400114.9
203R35.8Very low33.6Very low223 Ų223153 Ų15384%0.84281%0.812SS**  trans-104.3-148.1-180-52.8175.580.3-160.211.9108.1
204P42.7Very low33.9Very low95 Ų95157.1 Ų157.162%0.61781%0.809SS**  cis-141-167.3-15.327.1-0.8000115.7
205R35.2Very low34.1Very low234 Ų234160.4 Ų160.488%0.88381%0.808SS**  trans117.1165.4144.4-56.3-158.9176.1-138.4-5.3118.9
206K41.1Very low34.5Very low205 Ų205159.7 Ų159.789%0.89180%0.804SS**  trans-150.1166.8-169.6-68.7-176.2175.9-178.30111
207K38.2Very low34.6Very low208 Ų208159.2 Ų159.290%0.90480%0.801SS**  trans85.6122.3146.7-172.5-173.6-179.7-176.50120.1
208S31.4Very low34.9Very low124 Ų124160.7 Ų160.787%0.86780%0.799SS**  -175-177.6129.459.70000111.9
209R39.4Very low35.2Very low211 Ų211156.1 Ų156.180%0.79679%0.788SS**  trans-154.9139-165.1167.2-170.5173-162.71112.9M211R209-M211 HydrophobicContact CG-CG 4.24Å; R209-M211 PolarHBondContact NH2-SD 3.25Å
210A28.6Very low34.9Very low92 Ų92153.5 Ų153.576%0.7679%0.785SS**  trans-143.7153.5153.900000107.4
211M27.9Very low34.7Very low133 Ų133151.5 Ų151.566%0.65578%0.776SS**  cis84.8907.7-47.4-50.9-54.800117.6R209R209-M211 HydrophobicContact CG-CG 4.24Å; R209-M211 PolarHBondContact NH2-SD 3.25Å
212S28.6Very low34.5Very low117 Ų117153.5 Ų153.582%0.81878%0.779SS**  trans-174.4174.2160.3-107.80000109.8
213S32.4Very low34.6Very low70 Ų70150.2 Ų150.249%0.4977%0.767SS.*  -175.2156.6-6945.80000110.4
214E37.7Very low34.3Very low167 Ų167146.1 Ų146.178%0.7876%0.762SS**  trans53.9157.4175.544.8-79.8154.500120.2
215E37Very low33.7Very low165 Ų165148.6 Ų148.677%0.77177%0.769SS**  cis-157.3168.2-31.7-108.5-56.88.600111.3
216E39.2Very low33.3Very low158 Ų158149.4 Ų149.474%0.73877%0.772SS**  trans33.6134.6156.4-79.4-84.481.300123.1
217I30.3Very low32.8Very low161 Ų161146.1 Ų146.183%0.82676%0.764SS**  trans170.7133.9130.9-88.5156.9000112.3
218L32.2Very low32.4Very low161 Ų161143.7 Ų143.784%0.84376%0.756SS**  trans-144.9170.4167.1-88.1175.3000108.3
219P42.2Very low32.6Very low109 Ų109141.8 Ų141.871%0.70874%0.743SS**  cis-123.1-168.1-16.640-25.3000111.5
220T28.9Very low32.2Very low142 Ų142137.4 Ų137.487%0.87174%0.74SS**  trans-144.2133.2146.9-47.40000110.2
221Q32.1Very low32.6Very low141 Ų141137.5 Ų137.566%0.65974%0.735SS**  trans-100.8137.4-179.7171.3-177.60.100109.6D223Q221-D223 PolarHBondContact NE2-OD1 3.11Å; Q221-D223 PolarHBondContact NE2-OD2 3.42Å; Q221-D223 VanDerWaalsContact NE2-OD2 3.09Å
222T28.6Very low32.9Very low134 Ų134142.8 Ų142.882%0.82275%0.747SS**  trans-138.6117.3151.554.30000108.5
223D36.4Very low32.9Very low104 Ų104140.9 Ų140.956%0.55675%0.747SS**  trans-63165.8165.1-41-89.4000108.5Q221Q221-D223 PolarHBondContact NE2-OD1 3.11Å; Q221-D223 PolarHBondContact NE2-OD2 3.42Å; Q221-D223 VanDerWaalsContact NE2-OD2 3.09Å
224D30.9Very low33.3Very low138 Ų138146.1 Ų146.174%0.73876%0.763SS**  -166.7156.954.5-104.8-49.6000113
225L30.3Very low33.2Very low147 Ų147146 Ų14677%0.7777%0.766SS**  trans50.1107143.4-60.2167.3000121.1
226W25.6Very low33Very low251 Ų251141.2 Ų141.295%0.95176%0.761SS**  -142.4143.1108.461.8-75.7000110.1
227D31.2Very low33.7Very low136 Ų136139.3 Ų139.373%0.72776%0.763SS**  trans-143.7157.1-170.6-178.5-144.1000111.1
228E28.9Very low33.6Very low157 Ų157137 Ų13773%0.73476%0.76SS**  trans60.4156.5168.2-83.4-118.9-51.600118.2
229S36.6Very low33.7Very low83 Ų83138.2 Ų138.258%0.5875%0.753SS**  cis-170.6158.9-22.7-129.30000107.4
230T30.4Very low33.3Very low120 Ų120139.1 Ų139.174%0.73676%0.762SS**  cis-128.7-158.9-4.559.90000107.2
231S37.8Very low33.6Very low94 Ų94139.4 Ų139.466%0.65775%0.753SS**  cis-150.4148.88.2-1020000107.3
232R33.3Very low33.6Very low243 Ų243139.1 Ų139.192%0.91776%0.761SS**  68.9102.154.1-165.8-176.8-65.5-129.82114
233G29.4Very low33.9Very low78 Ų78137.5 Ų137.580%0.80476%0.755SS**  trans167.782.217200000113.6
234Q40.2Very low33.8Very low180 Ų180138.2 Ų138.284%0.84177%0.768SS**  trans-104.2176.9170.1-67-171.911.600111
235I34.8Very low34.2Very low164 Ų164136 Ų13684%0.84177%0.769SS**  trans87.3121.3162.4-53.5158.3000115.4
236G34.5Very low35Very low64 Ų64134.5 Ų134.566%0.6677%0.768SS**  trans-105.7-156.4159.200000110.7
237P54Low35.3Very low119 Ų119128 Ų12877%0.77376%0.761SS**  cis-140.9-170.110.642.4-23.3000115.7
238C27.9Very low35.8Very low113 Ų113130.5 Ų130.576%0.76477%0.768SS**  trans87147.4145.592.80000122.8
239R33.9Very low36.2Very low186 Ų186129 Ų12970%0.70278%0.775SS**  trans54.3112.8157.8-75.2-174.7154.6-76.9-8.5120.7E241R239-E241 IonicContact CZ-OE1 3.54Å; R239-E241 IonicContact NH1-OE1 2.83Å; R239-E241 PolarHBondContact NH1-OE1 3.26Å; R239-E241 IonicContact NH1-OE2 3.7Å; R239-E241 IonicContact NH2-OE1 3.39Å; R239-E241 PolarHBondContact NH2-OE1 3.38Å
240S32.7Very low36.1Very low128 Ų128129.7 Ų129.790%0.89579%0.786SS**  -156.2163110.8-79.70000111
241E36.3Very low36.7Very low147 Ų147129.4 Ų129.469%0.68780%0.795SS**  trans-120144.8-167.8-62.115416700110.6R239R239-E241 IonicContact CZ-OE1 3.54Å; R239-E241 IonicContact NH1-OE1 2.83Å; R239-E241 PolarHBondContact NH1-OE1 3.26Å; R239-E241 IonicContact NH1-OE2 3.7Å; R239-E241 IonicContact NH2-OE1 3.39Å; R239-E241 PolarHBondContact NH2-OE1 3.38Å
242V31.1Very low36.7Very low136 Ų136129.2 Ų129.282%0.82480%0.8SS**  trans-174.3147.5140.861.40000112.1
243S36.6Very low37.2Very low99 Ų99126.8 Ų126.869%0.69280%0.799SS**  trans-15.8145.8168.2-49.50000118.6
244S33.6Very low37.8Very low119 Ų119131.1 Ų131.183%0.83280%0.795SS**  -159.2150.653.6-58.70000116.1
245A40.2Very low37.7Very low93 Ų93127.9 Ų127.977%0.76979%0.793SS**  trans-104.5174.715900000108.5
246P45.7Very low38.2Very low114 Ų114126.7 Ų126.774%0.7478%0.784SS**  cis-127.7176.79.843.9-27.7000113.9
247S32.8Very low38.4Very low115 Ų115132.3 Ų132.380%0.80479%0.793SS**  -169.3160.991-69.90000112.3
248Q40.9Very low37.9Very low189 Ų189134.7 Ų134.788%0.88379%0.794SS**  trans-96.5138.6-172.8-54.4169.521.200112.3
249S38Very low38.9Very low125 Ų125136.7 Ų136.787%0.87479%0.792SS**  trans171.7111.413038.90000111.5
250A35Very low39.7Very low97 Ų97132.8 Ų132.880%0.80278%0.78SS**  trans-156.768.1171.500000110.9A252A250-A252 PolarHBondContact O-N 3.17Å
251A42.3Very low40.3Very low114 Ų114134.1 Ų134.194%0.94277%0.769SS**  trans-81.196.3158.700000107.3
252A38.4Very low40.9Very low91 Ų91133 Ų13375%0.75277%0.773SS**  trans-131.1138177.100000109.1A250A250-A252 PolarHBondContact O-N 3.17Å
253E43.8Very low42Very low191 Ų191135.2 Ų135.289%0.89377%0.767SS**  trans-83.9164.8-162.1-67.417594.300114.1S255E253-S255 VanDerWaalsContact C-N 3.31Å; E253-S255 PolarHBondContact O-N 3.48Å
254K40.1Very low42.9Very low169 Ų169137.3 Ų137.374%0.73578%0.778SS**  trans-70.472.9-170.1-172.5-147.6-176.8-161.50113Q256K254-Q256 HydrophobicContact CD-CG 4.35Å; K254-Q256 VanDerWaalsContact CE-OE1 3.25Å; K254-Q256 HydrophobicContact CG-CG 4.37Å; K254-Q256 PolarHBondContact O-N 3.32Å
255S39.5Very low44.3Very low113 Ų113134.5 Ų134.579%0.7977%0.768SS**  trans-71.195.9171.2-71.50000111.4E253 Q257E253-S255 VanDerWaalsContact C-N 3.31Å; E253-S255 PolarHBondContact O-N 3.48Å; S255-Q257 VanDerWaalsContact C-N 3.28Å; S255-Q257 PolarHBondContact O-N 3.2Å
256Q44.9Very low46.1Very low138 Ų138133 Ų13365%0.64575%0.749SS**  trans-76.279.5168.6-66.7-179.9-105.700110.1K254K254-Q256 HydrophobicContact CD-CG 4.35Å; K254-Q256 VanDerWaalsContact CE-OE1 3.25Å; K254-Q256 HydrophobicContact CG-CG 4.37Å; K254-Q256 PolarHBondContact O-N 3.32Å
257Q38Very low48.2Very low183 Ų183129.9 Ų129.986%0.85572%0.723SS**  trans-89.7114153.7-76.8-174.4-32.800107.3S255 E259S255-Q257 VanDerWaalsContact C-N 3.28Å; S255-Q257 PolarHBondContact O-N 3.2Å; Q257-E259 PolarHBondContact O-N 3.12Å
258E44Very low50.8Low168 Ų168129.7 Ų129.779%0.78572%0.716SS**  trans-72.8112.4-179.6-67.4-174.9119.800109.7K260E258-K260 PolarHBondContact O-N 2.8Å
259E49.3Very low53.1Low156 Ų156123.1 Ų123.173%0.72969%0.694SS**  trans-60.290.8159.3-65.9-175120.400108.4Q257 K261Q257-E259 PolarHBondContact O-N 3.12Å; E259-K261 HydrophobicContact CB-CG 4.11Å; E259-K261 PolarHBondContact O-N 2.7Å; E259-K261 WeakPolarHBondContact OE2-CE 3.33Å; E259-K261 IonicContact OE2-NZ 2.74Å
260K50.9Low55.5Low103 Ų103117.5 Ų117.545%0.44866%0.655SS.*  trans-64.483.5159.8-83.4-178.7168.7177.30107.7E258 T262 E298 E301E258-K260 PolarHBondContact O-N 2.8Å; K260-T262 PolarHBondContact O-N 2.96Å; K260-E298 WeakPolarHBondContact CE-OE1 3.09Å; K260-E298 IonicContact NZ-OE1 2.77Å; K260-E298 PolarHBondContact NZ-OE1 2.62Å; K260-E298 IonicContact NZ-OE2 3.07Å; K260-E298 PolarHBondContact NZ-OE2 3.01Å; K260-E301 IonicContact NZ-OE1 2.7Å; K260-E301 PolarHBondContact NZ-OE1 2.74Å
261K44.5Very low57.9Low156 Ų156118.4 Ų118.468%0.67865%0.653SS**  trans-60.4101.2-175.6-75177.1-178.8178.10109.3E259 R263E259-K261 HydrophobicContact CB-CG 4.11Å; E259-K261 PolarHBondContact O-N 2.7Å; E259-K261 WeakPolarHBondContact OE2-CE 3.33Å; E259-K261 IonicContact OE2-NZ 2.74Å; K261-R263 VanDerWaalsContact C-N 3.29Å; K261-R263 PolarHBondContact O-N 2.74Å
262T49.1Very low60Low125 Ų125119.5 Ų119.577%0.76763%0.634SS**  trans-57.595.7163.837.10000108.3K260K260-T262 PolarHBondContact O-N 2.96Å
263R55.3Low62.3Low182 Ų182115.7 Ų115.769%0.68760%0.603SS**  trans-56.3127.8168.3-65.4179.3179.2177.72.6106.6K261 G265 V266K261-R263 VanDerWaalsContact C-N 3.29Å; K261-R263 PolarHBondContact O-N 2.74Å; R263-G265 PolarHBondContact O-N 2.96Å; R263-V266 HydrophobicContact CB-CG2 3.99Å; R263-V266 PolarHBondContact O-N 3.2Å
264P53.9Low64.2Low143 Ų143114.4 Ų114.493%0.92960%0.595SS**THydrogen-bonded Turntrans-62.2103.6-176.624.1-33.2000109.7
265G64.7Low66.3Low60 Ų60112.1 Ų112.162%0.61959%0.591SS**THydrogen-bonded Turntrans138.2-29.8-172.700000114.4R263 R267R263-G265 PolarHBondContact O-N 2.96Å; G265-R267 PolarHBondContact O-N 3.32Å
266V78Confident68.7Low62 Ų62107.9 Ų107.938%0.37656%0.561SS.*PPolyproline II helixtrans-73.3126.1-176.2177.30000111.4R263 D294R263-V266 HydrophobicContact CB-CG2 3.99Å; R263-V266 PolarHBondContact O-N 3.2Å; V266-D294 HydrophobicContact CG1-CB 4.5Å
267R89Confident70.9Confident48 Ų48110.1 Ų110.118%0.18157%0.565CS.*PPolyproline II helixtrans-86.1146.7179.1-65.6174.6-80.1147-4.6111.2G265 F284 Q285 S288 D292 D294G265-R267 PolarHBondContact O-N 3.32Å; R267-F284 WeakPolarHBondContact CD-O 3.23Å; R267-F284 PolarHBondContact NH1-O 3.44Å; R267-Q285 VanDerWaalsContact CD-O 3.24Å; R267-Q285 WeakPolarHBondContact CD-O 3.36Å; R267-Q285 WeakPolarHBondContact CG-O 3.27Å; R267-S288 PolarHBondContact O-OG 2.77Å; R267-D292 IonicContact CZ-OD1 3.27Å; R267-D292 VanDerWaalsContact CZ-OD1 3.27Å; R267-D292 IonicContact CZ-OD2 3.87Å; R267-D292 IonicContact NH1-OD1 2.89Å; R267-D292 PolarHBondContact NH1-OD1 2.65Å; R267-D292 IonicContact NH1-OD2 3.11Å; R267-D292 PolarHBondContact NH1-OD2 3.35Å; R267-D292 VanDerWaalsContact NH1-OD2 3.11Å; R267-D292 IonicContact NH2-OD1 2.96Å; R267-D292 PolarHBondContact NH2-OD1 2.68Å; R267-D292 IonicContact NH2-OD2 3.71Å; R267-D294 IonicContact CZ-OD2 3.27Å; R267-D294 VanDerWaalsContact CZ-OD2 3.27Å; R267-D294 IonicContact NE-OD2 3.01Å; R267-D294 PolarHBondContact NE-OD2 3.38Å; R267-D294 IonicContact NH2-OD2 3.89Å; R267-D294 PolarHBondContact NH2-OD2 3.02Å
268T86.8Confident73.5Confident110 Ų110107.9 Ų107.968%0.67555%0.548SS*.EExtended strand (participates in β ladder)trans-67.6132.2-179.1-530000111.1C270 S287 S288T268-C270 PolarHBondContact O-N 3.36Å; T268-S287 CarbonylContact O-C 3.51Å; T268-S287 WeakPolarHBondContact O-CA 3.42Å; T268-S287 VanDerWaalsContact O-CB 3.23Å; T268-S287 WeakPolarHBondContact O-CB 3.36Å; T268-S288 PolarHBondContact O-N 3.34Å; T268-S288 PolarHBondContact O-OG 3.18Å
269A88.9Confident75.8Confident51 Ų51108.9 Ų108.942%0.42155%0.55SS.*EExtended strand (participates in β ladder)trans-55.7128.7178.500000112.1S288 Y295A269-S288 WeakPolarHBondContact CA-OG 3.35Å; A269-S288 PolarHBondContact N-OG 3.32Å; A269-Y295 HydrophobicContact CB-CE2 4.18Å
270C89.6Confident77.8Confident8 Ų8105.2 Ų105.25%0.05454%0.535CS..PPolyproline II helixtrans-68.9127-177.8-168.50000110.7T268 Y272 G273 H283 S288 H289T268-C270 PolarHBondContact O-N 3.36Å; C270-Y272 PolarHBondContact O-N 2.87Å; C270-G273 PolarHBondContact O-N 2.8Å; C270-H283 PolarHBondContact SG-CE1 3.18Å; C270-H283 PolarHBondContact SG-NE2 3.41Å; C270-H283 VanDerWaalsContact SG-NE2 3.38Å; C270-S288 VanDerWaalsContact CB-O 3.24Å; C270-S288 WeakPolarHBondContact CB-O 3.35Å; C270-S288 PolarHBondContact N-O 2.92Å; C270-H289 PolarHBondContact SG-NE2 3.21Å; C270-H289 VanDerWaalsContact SG-NE2 3.43Å
271P85.9Confident79.6Confident116 Ų116104.6 Ų104.675%0.75354%0.542SS*.THydrogen-bonded Turntrans-69.11.7-176.328.6-37.1000114.9
272Y84.6Confident81.8Confident137 Ų137101.4 Ų101.454%0.53753%0.532SS..THydrogen-bonded Turntrans-116.9-5.8172-57.8-75.9000112.9C270 K274 D275C270-Y272 PolarHBondContact O-N 2.87Å; Y272-K274 PolarHBondContact O-N 3.43Å; Y272-D275 PolarHBondContact O-N 2.83Å
273G86.7Confident83.9Confident11 Ų1196 Ų9611%0.11350%0.498CS..G310 helixtrans45.5-131.1-179.800000113.7C270 D275 C276 H289C270-G273 PolarHBondContact O-N 2.8Å; G273-D275 PolarHBondContact O-N 3.2Å; G273-D275 VanDerWaalsContact O-N 3.15Å; G273-C276 WeakPolarHBondContact O-CB 3.03Å; G273-C276 PolarHBondContact O-N 3.44Å; G273-H289 PolarHBondContact O-CD2 2.87Å
274K84.9Confident85.5Confident163 Ų16391.4 Ų91.471%0.70948%0.483SS*.G310 helixtrans-55.1-25.8177.769.3-157.1178.3-170.90114.6Y272 P290Y272-K274 PolarHBondContact O-N 3.43Å; K274-P290 HydrophobicContact CB-CG 4.22Å
275D83.6Confident87.1Confident122 Ų12291 Ų9165%0.65247%0.469SS*.G310 helixtrans-95.912-175-59.1-65.2000112.5Y272 G273 Y277Y272-D275 PolarHBondContact O-N 2.83Å; G273-D275 PolarHBondContact O-N 3.2Å; G273-D275 VanDerWaalsContact O-N 3.15Å; D275-Y277 PolarHBondContact O-N 3.1Å
276C90.5Very high88.3Confident24 Ų2494.3 Ų94.316%0.16247%0.468CS..  trans-68.9112.2178.6-169.50000112.5G273 R278 H283G273-C276 WeakPolarHBondContact O-CB 3.03Å; G273-C276 PolarHBondContact O-N 3.44Å; C276-R278 PolarHBondContact O-N 2.68Å; C276-H283 PolarHBondContact SG-NE2 2.89Å
277Y89.8Confident88.8Confident185 Ų18592 Ų9273%0.72545%0.454SS*.  trans-75.9-2.4177.770.6-88000114.6D275 K279D275-Y277 PolarHBondContact O-N 3.1Å; Y277-K279 PolarHBondContact O-N 2.89Å
278R94.4Very high89Confident136 Ų13689.8 Ų89.851%0.51345%0.446SS..  trans-89.3104.4-165.5-142.9-170.9-161.7-164.51.2111.5C276 N280 H283 F284C276-R278 PolarHBondContact O-N 2.68Å; R278-N280 PolarHBondContact O-N 2.82Å; R278-H283 WeakPolarHBondContact CD-ND1 3.36Å; R278-F284 WeakPolarHBondContact O-CE2 3.44Å
279K91Very high89.1Confident189 Ų18985.4 Ų85.482%0.82242%0.418SS*.  trans-93.319.6-172.4-56.2-166.2178.3-169.40116.1Y277Y277-K279 PolarHBondContact O-N 2.89Å
280N91.3Very high88.9Confident78 Ų7886 Ų8642%0.41742%0.418SS..  trans-78.6128.1179.4-179.516.1000110R278 L282 H283 F284R278-N280 PolarHBondContact O-N 2.82Å; N280-L282 PolarHBondContact O-N 2.9Å; N280-L282 PolarHBondContact OD1-N 3.14Å; N280-H283 HydrophobicContact CB-CB 4.17Å; N280-H283 VanDerWaalsContact O-CB 3.29Å; N280-H283 WeakPolarHBondContact O-CB 3.38Å; N280-H283 PolarHBondContact O-N 2.97Å; N280-F284 WeakPolarHBondContact O-CD2 3.15Å
281P88.9Confident88.3Confident91 Ų9189.6 Ų89.659%0.59146%0.456SS*.Hα-helixtrans-51.9-38.8176.7-30.537000114.3H283 F284 Q285P281-H283 VanDerWaalsContact C-N 3.27Å; P281-H283 PolarHBondContact O-N 3.15Å; P281-F284 PolarHBondContact O-N 3.43Å; P281-F284 VanDerWaalsContact O-N 3.15Å; P281-Q285 PolarHBondContact O-N 3.48Å; P281-Q285 VanDerWaalsContact O-N 3.16Å
282L90.4Very high88.2Confident88 Ų8886.2 Ų86.246%0.46143%0.432SS..Hα-helixtrans-62.7-32.3176.9-55.9-179.5000112.6N280 F284 Q285 E286N280-L282 PolarHBondContact O-N 2.9Å; N280-L282 PolarHBondContact OD1-N 3.14Å; L282-F284 VanDerWaalsContact C-N 3.27Å; L282-F284 PolarHBondContact O-N 2.92Å; L282-Q285 PolarHBondContact O-N 3.45Å; L282-Q285 VanDerWaalsContact O-N 3.13Å; L282-E286 WeakPolarHBondContact O-CB 3.45Å; L282-E286 WeakPolarHBondContact O-CG 3.36Å; L282-E286 PolarHBondContact O-N 3.02Å
283H92.9Very high88.1Confident13 Ų1384.8 Ų84.86%0.0645%0.448CS..Hα-helixtrans-64.9-31.3177.5173.991.4000112.1C270 C276 R278 N280 P281 S287 H289C270-H283 PolarHBondContact SG-CE1 3.18Å; C270-H283 PolarHBondContact SG-NE2 3.41Å; C270-H283 VanDerWaalsContact SG-NE2 3.38Å; C276-H283 PolarHBondContact SG-NE2 2.89Å; R278-H283 WeakPolarHBondContact CD-ND1 3.36Å; N280-H283 HydrophobicContact CB-CB 4.17Å; N280-H283 VanDerWaalsContact O-CB 3.29Å; N280-H283 WeakPolarHBondContact O-CB 3.38Å; N280-H283 PolarHBondContact O-N 2.97Å; P281-H283 VanDerWaalsContact C-N 3.27Å; P281-H283 PolarHBondContact O-N 3.15Å; H283-S287 PolarHBondContact CE1-OG 2.99Å; H283-S287 VanDerWaalsContact CE1-OG 3.32Å; H283-S287 PolarHBondContact NE2-OG 2.91Å; H283-S287 PolarHBondContact O-N 2.81Å; H283-S287 PolarHBondContact O-OG 3.29Å; H283-H289 AromaticContact CD2-CE1 3.52Å; H283-H289 AromaticContact CD2-NE2 3.55Å; H283-H289 AromaticContact NE2-CE1 3.25Å; H283-H289 PolarHBondContact NE2-CE1 2.96Å; H283-H289 VanDerWaalsContact NE2-CE1 3.25Å; H283-H289 AromaticContact NE2-NE2 2.98Å; H283-H289 PolarHBondContact NE2-NE2 3.47Å
284F89.2Confident87.8Confident84 Ų8486.7 Ų86.737%0.36846%0.456SS..Hα-helixtrans-81.3-26.1173.4-63.9-79.1000112.8R267 R278 N280 P281 L282 H289R267-F284 WeakPolarHBondContact CD-O 3.23Å; R267-F284 PolarHBondContact NH1-O 3.44Å; R278-F284 WeakPolarHBondContact O-CE2 3.44Å; N280-F284 WeakPolarHBondContact O-CD2 3.15Å; P281-F284 PolarHBondContact O-N 3.43Å; P281-F284 VanDerWaalsContact O-N 3.15Å; L282-F284 VanDerWaalsContact C-N 3.27Å; L282-F284 PolarHBondContact O-N 2.92Å; F284-H289 AromaticContact CD1-CE1 3.51Å; F284-H289 AromaticContact CD1-ND1 3.62Å; F284-H289 AromaticContact CE1-CE1 3.62Å; F284-H289 AromaticContact CE1-ND1 3.83Å; F284-H289 AromaticContact CE1-NE2 3.83Å
285Q88.9Confident87.6Confident136 Ų13682 Ų8264%0.63643%0.434SS*.Hα-helixtrans-72.5-33.9171.2-67.3175.1-5.700111.9R267 P281 L282R267-Q285 VanDerWaalsContact CD-O 3.24Å; R267-Q285 WeakPolarHBondContact CD-O 3.36Å; R267-Q285 WeakPolarHBondContact CG-O 3.27Å; P281-Q285 PolarHBondContact O-N 3.48Å; P281-Q285 VanDerWaalsContact O-N 3.16Å; L282-Q285 PolarHBondContact O-N 3.45Å; L282-Q285 VanDerWaalsContact O-N 3.13Å
286E88.9Confident86.9Confident129 Ų12982.4 Ų82.460%0.60343%0.432SS*.Hα-helixtrans-86.6-29.7179.3-69.7168.1-168.800113.5L282L282-E286 WeakPolarHBondContact O-CB 3.45Å; L282-E286 WeakPolarHBondContact O-CG 3.36Å; L282-E286 PolarHBondContact O-N 3.02Å
287S89.6Confident85.7Confident12 Ų1289.2 Ų89.28%0.08446%0.462CS..EExtended strand (participates in β ladder)trans-135.6137.6-175.669.40000115.6T268 H283 H289T268-S287 CarbonylContact O-C 3.51Å; T268-S287 WeakPolarHBondContact O-CA 3.42Å; T268-S287 VanDerWaalsContact O-CB 3.23Å; T268-S287 WeakPolarHBondContact O-CB 3.36Å; H283-S287 PolarHBondContact CE1-OG 2.99Å; H283-S287 VanDerWaalsContact CE1-OG 3.32Å; H283-S287 PolarHBondContact NE2-OG 2.91Å; H283-S287 PolarHBondContact O-N 2.81Å; H283-S287 PolarHBondContact O-OG 3.29Å; S287-H289 PolarHBondContact O-CE1 2.77Å; S287-H289 VanDerWaalsContact O-CE1 3.25Å; S287-H289 PolarHBondContact O-ND1 3.06Å; S287-H289 VanDerWaalsContact O-ND1 3.11Å; S287-H289 PolarHBondContact OG-CE1 2.83Å
288S91.8Very high84.5Confident2 Ų286.4 Ų86.41%0.01446%0.455CS..EExtended strand (participates in β ladder)trans-88.4145177.550.40000111.8R267 T268 A269 C270 D292R267-S288 PolarHBondContact O-OG 2.77Å; T268-S288 PolarHBondContact O-N 3.34Å; T268-S288 PolarHBondContact O-OG 3.18Å; A269-S288 WeakPolarHBondContact CA-OG 3.35Å; A269-S288 PolarHBondContact N-OG 3.32Å; C270-S288 VanDerWaalsContact CB-O 3.24Å; C270-S288 WeakPolarHBondContact CB-O 3.35Å; C270-S288 PolarHBondContact N-O 2.92Å; S288-D292 WeakPolarHBondContact CA-OD2 3.17Å
289H89.8Confident82.6Confident18 Ų1885 Ų858%0.08346%0.458CS..  trans-125.8157.9-178.6-56.667.1000109.6C270 G273 H283 F284 S287 G291 D292 Y295C270-H289 PolarHBondContact SG-NE2 3.21Å; C270-H289 VanDerWaalsContact SG-NE2 3.43Å; G273-H289 PolarHBondContact O-CD2 2.87Å; H283-H289 AromaticContact CD2-CE1 3.52Å; H283-H289 AromaticContact CD2-NE2 3.55Å; H283-H289 AromaticContact NE2-CE1 3.25Å; H283-H289 PolarHBondContact NE2-CE1 2.96Å; H283-H289 VanDerWaalsContact NE2-CE1 3.25Å; H283-H289 AromaticContact NE2-NE2 2.98Å; H283-H289 PolarHBondContact NE2-NE2 3.47Å; F284-H289 AromaticContact CD1-CE1 3.51Å; F284-H289 AromaticContact CD1-ND1 3.62Å; F284-H289 AromaticContact CE1-CE1 3.62Å; F284-H289 AromaticContact CE1-ND1 3.83Å; F284-H289 AromaticContact CE1-NE2 3.83Å; S287-H289 PolarHBondContact O-CE1 2.77Å; S287-H289 VanDerWaalsContact O-CE1 3.25Å; S287-H289 PolarHBondContact O-ND1 3.06Å; S287-H289 VanDerWaalsContact O-ND1 3.11Å; S287-H289 PolarHBondContact OG-CE1 2.83Å; H289-G291 PolarHBondContact O-N 3.43Å; H289-D292 PolarHBondContact N-OD2 2.67Å; H289-D292 IonicContact ND1-OD2 3.65Å; H289-D292 WeakPolarHBondContact O-CB 3.44Å; H289-D292 PolarHBondContact O-N 3.04Å; H289-Y295 VanDerWaalsContact C-CD2 3.46Å; H289-Y295 WeakPolarHBondContact O-CB 3.24Å
290P84.6Confident81.3Confident63 Ų6379.7 Ų79.741%0.40944%0.438SS..THydrogen-bonded Turntrans-52.1113.1175.1-27.134.6000112.2K274 Y295K274-P290 HydrophobicContact CB-CG 4.22Å; P290-Y295 HydrophobicContact CB-CD1 4.4Å; P290-Y295 HydrophobicContact CB-CE1 4.08Å; P290-Y295 HydrophobicContact CG-CD1 4.47Å; P290-Y295 HydrophobicContact CG-CE1 3.8Å; P290-Y295 HydrophobicContact CG-CE2 4.25Å
291G77.1Confident80.4Confident84 Ų8483.5 Ų83.587%0.86645%0.454SS*.THydrogen-bonded Turntrans109.4-8.6-173.700000115.5H289H289-G291 PolarHBondContact O-N 3.43Å
292D83.8Confident80.1Confident46 Ų4683.2 Ų83.225%0.24644%0.441CS..  trans-70.8144.8164.8-86.9-59.2000111R267 S288 H289 D294 Y295R267-D292 IonicContact CZ-OD1 3.27Å; R267-D292 VanDerWaalsContact CZ-OD1 3.27Å; R267-D292 IonicContact CZ-OD2 3.87Å; R267-D292 IonicContact NH1-OD1 2.89Å; R267-D292 PolarHBondContact NH1-OD1 2.65Å; R267-D292 IonicContact NH1-OD2 3.11Å; R267-D292 PolarHBondContact NH1-OD2 3.35Å; R267-D292 VanDerWaalsContact NH1-OD2 3.11Å; R267-D292 IonicContact NH2-OD1 2.96Å; R267-D292 PolarHBondContact NH2-OD1 2.68Å; R267-D292 IonicContact NH2-OD2 3.71Å; S288-D292 WeakPolarHBondContact CA-OD2 3.17Å; H289-D292 PolarHBondContact N-OD2 2.67Å; H289-D292 IonicContact ND1-OD2 3.65Å; H289-D292 WeakPolarHBondContact O-CB 3.44Å; H289-D292 PolarHBondContact O-N 3.04Å; D292-D294 PolarHBondContact O-N 3.36Å; D292-Y295 WeakPolarHBondContact O-CB 3.41Å; D292-Y295 PolarHBondContact O-N 2.69Å; D292-Y295 VanDerWaalsContact O-N 3.12Å
293A82.6Confident79.7Confident106 Ų10682.8 Ų82.888%0.87644%0.443SS*.THydrogen-bonded Turntrans-64.4-20.4177.500000113.9
294D80.1Confident79.5Confident51 Ų5188.2 Ų88.227%0.27347%0.469SS..THydrogen-bonded Turntrans-103.214.9178.6-37-74.7000112.5V266 R267 D292 E296V266-D294 HydrophobicContact CG1-CB 4.5Å; R267-D294 IonicContact CZ-OD2 3.27Å; R267-D294 VanDerWaalsContact CZ-OD2 3.27Å; R267-D294 IonicContact NE-OD2 3.01Å; R267-D294 PolarHBondContact NE-OD2 3.38Å; R267-D294 IonicContact NH2-OD2 3.89Å; R267-D294 PolarHBondContact NH2-OD2 3.02Å; D292-D294 PolarHBondContact O-N 3.36Å; D294-E296 PolarHBondContact O-N 3.35Å
295Y81Confident79.5Confident66 Ų6684.5 Ų84.526%0.25945%0.453SS..  trans-89.886.8178.1-171.4-100.8000111A269 H289 P290 D292 E297A269-Y295 HydrophobicContact CB-CE2 4.18Å; H289-Y295 VanDerWaalsContact C-CD2 3.46Å; H289-Y295 WeakPolarHBondContact O-CB 3.24Å; P290-Y295 HydrophobicContact CB-CD1 4.4Å; P290-Y295 HydrophobicContact CB-CE1 4.08Å; P290-Y295 HydrophobicContact CG-CD1 4.47Å; P290-Y295 HydrophobicContact CG-CE1 3.8Å; P290-Y295 HydrophobicContact CG-CE2 4.25Å; D292-Y295 WeakPolarHBondContact O-CB 3.41Å; D292-Y295 PolarHBondContact O-N 2.69Å; D292-Y295 VanDerWaalsContact O-N 3.12Å; Y295-E297 HydrophobicContact CE1-CB 4.2Å; Y295-E297 PolarHBondContact O-N 3.26Å
296E69.3Low79.5Confident130 Ų13083 Ų8361%0.60746%0.455SS*.  trans-67121.9161-63.3-70167.300108.4D294 E298D294-E296 PolarHBondContact O-N 3.35Å; E296-E298 PolarHBondContact O-N 2.9Å
297E65Low79.3Confident167 Ų16781.8 Ų81.878%0.7845%0.446SS*.  trans-76.768.5170.1-170.3165.9-147.300108.9Y295 D299Y295-E297 HydrophobicContact CE1-CB 4.2Å; Y295-E297 PolarHBondContact O-N 3.26Å; E297-D299 PolarHBondContact O-N 3.11Å
298E63.7Low79.1Confident125 Ų12582.3 Ų82.358%0.58445%0.452SS*.  trans-66.4106.5177.3-173.4165-91.400109.2K260 E296 D300K260-E298 WeakPolarHBondContact CE-OE1 3.09Å; K260-E298 IonicContact NZ-OE1 2.77Å; K260-E298 PolarHBondContact NZ-OE1 2.62Å; K260-E298 IonicContact NZ-OE2 3.07Å; K260-E298 PolarHBondContact NZ-OE2 3.01Å; E296-E298 PolarHBondContact O-N 2.9Å; E298-D300 PolarHBondContact O-N 3.15Å; E298-D300 VanDerWaalsContact O-N 3.15Å
299D56Low78.8Confident107 Ų10784.5 Ų84.557%0.57247%0.471SS*.  trans-57.1116.9-173.5-141.6-15.6000109.8E297 E301 R323E297-D299 PolarHBondContact O-N 3.11Å; D299-E301 PolarHBondContact O-N 3.06Å; D299-R323 IonicContact OD1-CZ 2.69Å; D299-R323 IonicContact OD1-NH1 3.76Å; D299-R323 PolarHBondContact OD1-NH1 2.89Å; D299-R323 IonicContact OD1-NH2 2.68Å; D299-R323 PolarHBondContact OD1-NH2 3.05Å
300D62.6Low78.5Confident78 Ų7886.7 Ų86.742%0.41749%0.492SS..  trans-46.2104.6-173.3-115.2-60.6000110.6E298 R302E298-D300 PolarHBondContact O-N 3.15Å; E298-D300 VanDerWaalsContact O-N 3.15Å; D300-R302 HydrophobicContact CB-CB 4.29Å; D300-R302 PolarHBondContact O-N 3.41Å; D300-R302 IonicContact OD1-CZ 2.67Å; D300-R302 VanDerWaalsContact OD1-CZ 3.28Å; D300-R302 IonicContact OD1-NE 2.62Å; D300-R302 IonicContact OD1-NH2 3.58Å; D300-R302 PolarHBondContact OD1-NH2 3.1Å; D300-R302 IonicContact OD2-NH2 3.28Å
301E72.3Confident78.7Confident158 Ų15884.5 Ų84.574%0.73848%0.478SS*.  trans-59.1-4176.8-64.5177.6178.800113.5K260 D299K260-E301 IonicContact NZ-OE1 2.7Å; K260-E301 PolarHBondContact NZ-OE1 2.74Å; D299-E301 PolarHBondContact O-N 3.06Å
302R82Confident79.1Confident85 Ų8587.4 Ų87.432%0.32146%0.464SS..SBendtrans-62.8120.6174.6-170180-53.8155.825.5110.3D300 R319 K320 Q321D300-R302 HydrophobicContact CB-CB 4.29Å; D300-R302 PolarHBondContact O-N 3.41Å; D300-R302 IonicContact OD1-CZ 2.67Å; D300-R302 VanDerWaalsContact OD1-CZ 3.28Å; D300-R302 IonicContact OD1-NE 2.62Å; D300-R302 IonicContact OD1-NH2 3.58Å; D300-R302 PolarHBondContact OD1-NH2 3.1Å; D300-R302 IonicContact OD2-NH2 3.28Å; R302-R319 PolarHBondContact NH1-O 3.29Å; R302-K320 PolarHBondContact NE-O 3.3Å; R302-Q321 WeakPolarHBondContact CG-O 3.14Å
303P83.8Confident79.5Confident78 Ų7889.8 Ų89.851%0.50647%0.469SS..PPolyproline II helixtrans-57.9145.9-177.124.6-34.8000111.6F322 R323P303-F322 HydrophobicContact CG-CD1 4.11Å; P303-F322 HydrophobicContact CG-CE1 4.11Å; P303-F322 CarbonylContact O-C 3.53Å; P303-F322 VanDerWaalsContact O-CA 3.23Å; P303-F322 WeakPolarHBondContact O-CA 3.47Å; P303-R323 PolarHBondContact O-N 3.38Å
304E87.3Confident79.7Confident128 Ų12893.9 Ų93.960%0.59847%0.467SS*.BIsolated β-bridgetrans-61146.4174.9-63-157.1135.400111.4
305C90.7Very high80Confident6 Ų697 Ų974%0.04148%0.484CS..PPolyproline II helixtrans-65.8133172.6-167.40000109.7Y307 G308 C311 H318 F322 R323C305-Y307 PolarHBondContact O-N 3.12Å; C305-G308 WeakPolarHBondContact O-CA 3.36Å; C305-G308 PolarHBondContact O-N 3.06Å; C305-C311 PolarHBondContact SG-SG 3.19Å; C305-H318 PolarHBondContact SG-CE1 3.45Å; C305-H318 PolarHBondContact SG-NE2 2.82Å; C305-H318 VanDerWaalsContact SG-NE2 3.38Å; C305-F322 HydrophobicContact CB-CB 3.84Å; C305-R323 WeakPolarHBondContact CB-O 3.32Å; C305-R323 PolarHBondContact N-O 3.49Å
306P86.9Confident80.2Confident103 Ų103100.1 Ų100.167%0.66950%0.504SS*.THydrogen-bonded Turntrans-64.6-1.6174.725.9-35.7000114.4
307Y85.4Confident81Confident105 Ų10598.3 Ų98.341%0.41250%0.502SS..THydrogen-bonded Turntrans-115.65.4171.4-52.6-80000112.6C305 A310 C311 Y312C305-Y307 PolarHBondContact O-N 3.12Å; Y307-A310 CarbonylContact O-C 3.52Å; Y307-A310 WeakPolarHBondContact O-CA 3.49Å; Y307-A310 PolarHBondContact O-N 3.28Å; Y307-C311 PolarHBondContact O-N 2.93Å; Y307-Y312 HydrophobicContact CD1-CE1 4.27Å; Y307-Y312 HydrophobicContact CD2-CE1 4.19Å; Y307-Y312 AromaticContact CE1-CE1 3.98Å; Y307-Y312 HydrophobicContact CE1-CE1 3.98Å; Y307-Y312 AromaticContact CE2-CE1 3.88Å; Y307-Y312 HydrophobicContact CE2-CE1 3.88Å; Y307-Y312 HydrophobicContact CG-CE1 4.37Å; Y307-Y312 AromaticContact CZ-CE1 3.78Å
308G85.9Confident82.2Confident22 Ų2291 Ų9123%0.22747%0.468CS..G310 helixtrans47.3-140.8-178.700000114.2C305 A310 C311 H324C305-G308 WeakPolarHBondContact O-CA 3.36Å; C305-G308 PolarHBondContact O-N 3.06Å; G308-A310 PolarHBondContact O-N 3.38Å; G308-A310 VanDerWaalsContact O-N 3.11Å; G308-C311 PolarHBondContact O-N 3.1Å; G308-H324 PolarHBondContact O-CD2 3.34Å; G308-H324 VanDerWaalsContact O-CD2 3.26Å
309A84.1Confident83.3Confident48 Ų4892.6 Ų92.640%0.39747%0.469SS..G310 helixtrans-56-22.5173.900000114.4P325 R327A309-P325 WeakPolarHBondContact CB-O 3.48Å; A309-R327 HydrophobicContact CB-CG 3.68Å
310A83.7Confident84.7Confident64 Ų6494 Ų9453%0.52947%0.47SS..G310 helixtrans-91.510-174.900000113.9Y307 G308 Y312Y307-A310 CarbonylContact O-C 3.52Å; Y307-A310 WeakPolarHBondContact O-CA 3.49Å; Y307-A310 PolarHBondContact O-N 3.28Å; G308-A310 PolarHBondContact O-N 3.38Å; G308-A310 VanDerWaalsContact O-N 3.11Å; A310-Y312 PolarHBondContact O-N 2.9Å
311C89.6Confident85.8Confident18 Ų1895.5 Ų95.512%0.12247%0.474CS..  trans-64.1122.9-173.4-163.60000113.8C305 Y307 G308 R313 H318 H324C305-C311 PolarHBondContact SG-SG 3.19Å; Y307-C311 PolarHBondContact O-N 2.93Å; G308-C311 PolarHBondContact O-N 3.1Å; C311-R313 PolarHBondContact O-N 3.02Å; C311-R313 PolarHBondContact SG-N 2.81Å; C311-H318 PolarHBondContact SG-NE2 3.06Å; C311-H324 VanDerWaalsContact CB-NE2 3.32Å; C311-H324 WeakPolarHBondContact CB-NE2 3.4Å
312Y86.2Confident86.6Confident144 Ų14490.7 Ų90.757%0.56545%0.451SS*.  trans-70-12175.268-83.4000114.2Y307 A310 K314Y307-Y312 HydrophobicContact CD1-CE1 4.27Å; Y307-Y312 HydrophobicContact CD2-CE1 4.19Å; Y307-Y312 AromaticContact CE1-CE1 3.98Å; Y307-Y312 HydrophobicContact CE1-CE1 3.98Å; Y307-Y312 AromaticContact CE2-CE1 3.88Å; Y307-Y312 HydrophobicContact CE2-CE1 3.88Å; Y307-Y312 HydrophobicContact CG-CE1 4.37Å; Y307-Y312 AromaticContact CZ-CE1 3.78Å; A310-Y312 PolarHBondContact O-N 2.9Å; Y312-K314 PolarHBondContact O-N 2.83Å
313R91.9Very high86.8Confident96 Ų9691 Ų9136%0.36245%0.452SS..  trans-83.399.6-174.3-61.8-179.4-174.8179.63111.4C311 N315 H318C311-R313 PolarHBondContact O-N 3.02Å; C311-R313 PolarHBondContact SG-N 2.81Å; R313-N315 VanDerWaalsContact C-N 3.31Å; R313-N315 PolarHBondContact O-N 3.33Å; R313-H318 HydrophobicContact CB-CB 4.46Å; R313-H318 PolarHBondContact O-CD2 3.3Å
314K85.7Confident86.9Confident192 Ų19289.2 Ų89.284%0.83544%0.437SS*.  trans-823.9-177.2-60.3-177.9-178.4-179.60115.3Y312Y312-K314 PolarHBondContact O-N 2.83Å
315N86.6Confident86.4Confident118 Ų11885.9 Ų85.963%0.63143%0.426SS*.  trans-66.8134.3-176.9-73.7-18.3000111.8R313 V317 H318 R319R313-N315 VanDerWaalsContact C-N 3.31Å; R313-N315 PolarHBondContact O-N 3.33Å; N315-V317 VanDerWaalsContact C-N 3.26Å; N315-V317 PolarHBondContact O-N 3.47Å; N315-H318 HydrophobicContact CB-CB 4.03Å; N315-H318 WeakPolarHBondContact O-CB 3.5Å; N315-H318 PolarHBondContact O-N 3.06Å; N315-R319 PolarHBondContact O-N 3.11Å; N315-R319 VanDerWaalsContact O-N 3.12Å
316L84.7Confident85.3Confident130 Ų13094 Ų9468%0.68146%0.464SS*.Hα-helixtrans-57.5-40.1178.4-167.978.7000112R319 K320L316-R319 PolarHBondContact O-N 2.81Å; L316-K320 WeakPolarHBondContact O-CB 3.48Å; L316-K320 WeakPolarHBondContact O-CG 3.42Å; L316-K320 PolarHBondContact O-N 3.38Å
317V87.6Confident84.2Confident92 Ų9297.4 Ų97.456%0.55846%0.463SS*.Hα-helixtrans-62.7-42.1176.7-179.10000111.2N315 K320 Q321N315-V317 VanDerWaalsContact C-N 3.26Å; N315-V317 PolarHBondContact O-N 3.47Å; V317-K320 CarbonylContact O-C 3.48Å; V317-K320 WeakPolarHBondContact O-CA 3.46Å; V317-K320 WeakPolarHBondContact O-CB 3.18Å; V317-K320 PolarHBondContact O-N 3.26Å; V317-K320 VanDerWaalsContact O-N 3.11Å; V317-Q321 HydrophobicContact CG1-CG 4.41Å; V317-Q321 WeakPolarHBondContact O-CB 3.23Å; V317-Q321 WeakPolarHBondContact O-CG 3.38Å; V317-Q321 PolarHBondContact O-N 3.49Å
318H90.3Very high82.8Confident14 Ų1498.4 Ų98.47%0.06548%0.482CS..Hα-helixtrans-62.5-44.9177.6174.888.2000111.9C305 C311 R313 N315 K320 Q321 F322 H324C305-H318 PolarHBondContact SG-CE1 3.45Å; C305-H318 PolarHBondContact SG-NE2 2.82Å; C305-H318 VanDerWaalsContact SG-NE2 3.38Å; C311-H318 PolarHBondContact SG-NE2 3.06Å; R313-H318 HydrophobicContact CB-CB 4.46Å; R313-H318 PolarHBondContact O-CD2 3.3Å; N315-H318 HydrophobicContact CB-CB 4.03Å; N315-H318 WeakPolarHBondContact O-CB 3.5Å; N315-H318 PolarHBondContact O-N 3.06Å; H318-K320 PolarHBondContact O-N 3.02Å; H318-Q321 PolarHBondContact O-N 3.26Å; H318-Q321 VanDerWaalsContact O-N 3.1Å; H318-F322 AromaticContact CE1-CD2 3.71Å; H318-F322 AromaticContact ND1-CD2 3.63Å; H318-F322 PolarHBondContact O-N 3.48Å; H318-H324 AromaticContact CD2-CE1 3.45Å; H318-H324 PolarHBondContact CD2-CE1 3.47Å; H318-H324 VanDerWaalsContact CD2-CE1 3.45Å; H318-H324 AromaticContact CD2-NE2 3.49Å; H318-H324 PolarHBondContact CD2-NE2 3.22Å; H318-H324 AromaticContact NE2-CE1 3.19Å; H318-H324 PolarHBondContact NE2-CE1 2.86Å; H318-H324 AromaticContact NE2-NE2 3.02Å; H318-H324 PolarHBondContact NE2-NE2 3.14Å
319R85.1Confident81.1Confident159 Ų159100.4 Ų100.460%0.650%0.504SS*.Hα-helixtrans-69-19.7174.4-76.1-173.4163.4-156.5-8.7114R302 N315 L316R302-R319 PolarHBondContact NH1-O 3.29Å; N315-R319 PolarHBondContact O-N 3.11Å; N315-R319 VanDerWaalsContact O-N 3.12Å; L316-R319 PolarHBondContact O-N 2.81Å
320K86.5Confident79.6Confident136 Ų136107.5 Ų107.559%0.59153%0.529SS*.Hα-helixtrans-85.7-9.3170.1-74.1-177174.6-165.20114.2R302 L316 V317 H318R302-K320 PolarHBondContact NE-O 3.3Å; L316-K320 WeakPolarHBondContact O-CB 3.48Å; L316-K320 WeakPolarHBondContact O-CG 3.42Å; L316-K320 PolarHBondContact O-N 3.38Å; V317-K320 CarbonylContact O-C 3.48Å; V317-K320 WeakPolarHBondContact O-CA 3.46Å; V317-K320 WeakPolarHBondContact O-CB 3.18Å; V317-K320 PolarHBondContact O-N 3.26Å; V317-K320 VanDerWaalsContact O-N 3.11Å; H318-K320 PolarHBondContact O-N 3.02Å
321Q85.8Confident77.8Confident109 Ų109109.8 Ų109.851%0.50954%0.54SS..Hα-helixtrans-116-18.2-177.9-74.6-179.9-3900114R302 V317 H318R302-Q321 WeakPolarHBondContact CG-O 3.14Å; V317-Q321 HydrophobicContact CG1-CG 4.41Å; V317-Q321 WeakPolarHBondContact O-CB 3.23Å; V317-Q321 WeakPolarHBondContact O-CG 3.38Å; V317-Q321 PolarHBondContact O-N 3.49Å; H318-Q321 PolarHBondContact O-N 3.26Å; H318-Q321 VanDerWaalsContact O-N 3.1Å
322F89.1Confident76.1Confident58 Ų58112.7 Ų112.725%0.25457%0.573SS.*SBendtrans-131.1133.1178.3-63.1-81000111.9P303 C305 H318 H324P303-F322 HydrophobicContact CG-CD1 4.11Å; P303-F322 HydrophobicContact CG-CE1 4.11Å; P303-F322 CarbonylContact O-C 3.53Å; P303-F322 VanDerWaalsContact O-CA 3.23Å; P303-F322 WeakPolarHBondContact O-CA 3.47Å; C305-F322 HydrophobicContact CB-CB 3.84Å; H318-F322 AromaticContact CE1-CD2 3.71Å; H318-F322 AromaticContact ND1-CD2 3.63Å; H318-F322 PolarHBondContact O-N 3.48Å; F322-H324 PolarHBondContact O-CE1 3.4Å; F322-H324 VanDerWaalsContact O-CE1 3.3Å; F322-H324 PolarHBondContact O-ND1 3.34Å
323R86.3Confident73.9Confident90 Ų90117.7 Ų117.734%0.3461%0.609SS.*BIsolated β-bridgetrans-69.9138.5173-163.9-178.3-169.1176.110.8109.7D299 P303 C305D299-R323 IonicContact OD1-CZ 2.69Å; D299-R323 IonicContact OD1-NH1 3.76Å; D299-R323 PolarHBondContact OD1-NH1 2.89Å; D299-R323 IonicContact OD1-NH2 2.68Å; D299-R323 PolarHBondContact OD1-NH2 3.05Å; P303-R323 PolarHBondContact O-N 3.38Å; C305-R323 WeakPolarHBondContact CB-O 3.32Å; C305-R323 PolarHBondContact N-O 3.49Å
324H86.5Confident73Confident41 Ų41118.8 Ų118.819%0.1962%0.621CS.*  trans-128.491.6174.5-61.667000106.4G308 C311 H318 F322 E326G308-H324 PolarHBondContact O-CD2 3.34Å; G308-H324 VanDerWaalsContact O-CD2 3.26Å; C311-H324 VanDerWaalsContact CB-NE2 3.32Å; C311-H324 WeakPolarHBondContact CB-NE2 3.4Å; H318-H324 AromaticContact CD2-CE1 3.45Å; H318-H324 PolarHBondContact CD2-CE1 3.47Å; H318-H324 VanDerWaalsContact CD2-CE1 3.45Å; H318-H324 AromaticContact CD2-NE2 3.49Å; H318-H324 PolarHBondContact CD2-NE2 3.22Å; H318-H324 AromaticContact NE2-CE1 3.19Å; H318-H324 PolarHBondContact NE2-CE1 2.86Å; H318-H324 AromaticContact NE2-NE2 3.02Å; H318-H324 PolarHBondContact NE2-NE2 3.14Å; F322-H324 PolarHBondContact O-CE1 3.4Å; F322-H324 VanDerWaalsContact O-CE1 3.3Å; F322-H324 PolarHBondContact O-ND1 3.34Å; H324-E326 PolarHBondContact O-N 2.8Å
325P76.2Confident72.3Confident58 Ų58114.9 Ų114.938%0.37761%0.61SS.*PPolyproline II helixtrans-58.4136.8175.724.4-32.8000109A309A309-P325 WeakPolarHBondContact CB-O 3.48Å
326E67.7Low71.5Confident176 Ų176114.8 Ų114.882%0.82261%0.609SS**PPolyproline II helixtrans-70.5138.7176.3-165.4153.3-135.200108.7H324H324-E326 PolarHBondContact O-N 2.8Å
327R63.6Low70.8Confident175 Ų175113.9 Ų113.966%0.6660%0.604SS**PPolyproline II helixtrans-64.8128.7174.8-71.2-175.5176.8175.7-3107.6A309 G329A309-R327 HydrophobicContact CB-CG 3.68Å; R327-G329 PolarHBondContact O-N 2.91Å
328P54.8Low69.7Low126 Ų126115.3 Ų115.382%0.81861%0.607SS**PPolyproline II helixtrans-56.6119.6166.225.3-32.3000107
329G50.7Low68.4Low65 Ų65122 Ų12267%0.6764%0.643SS**PPolyproline II helixtrans-63.1143.4-16800000111.8R327 S331R327-G329 PolarHBondContact O-N 2.91Å; G329-S331 PolarHBondContact O-N 3.29Å
330E52.2Low67.2Low197 Ų197119.4 Ų119.492%0.92165%0.647SS**  trans-65.186.5166.3-69.3165.1106.100108.4G332E330-G332 PolarHBondContact O-N 3.36Å
331S47.6Very low65.7Low111 Ų111118.1 Ų118.178%0.77665%0.651SS**  trans-63.8106.117155.50000107.9G329 L333G329-S331 PolarHBondContact O-N 3.29Å; S331-L333 PolarHBondContact O-N 3.24Å
332G52.8Low64Low79 Ų79118.8 Ų118.881%0.81466%0.663SS**  trans-54.4134.2-168.300000114.1E330E330-G332 PolarHBondContact O-N 3.36Å
333L40.4Very low61.7Low250 Ų250124.4 Ų124.4100%1.30970%0.7SS**  trans-84.60160.3-70166.3000109.7S331S331-L333 PolarHBondContact O-N 3.24Å

Retrieved 333 of 333 residues in 111.8 ms (Link to these results)

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