A0A087YKV2_POEFO Loading...

mRNA-capping enzyme

Bifunctional mRNA-capping enzyme exhibiting RNA 5'-triphosphate monophosphatase activity in the N-terminal part and mRNA guanylyltransferase activity in the C-terminal part. Catalyzes the first two steps of cap formation: by removing the gamma-phosphate from the 5'-triphosphate end of nascent mRNA to yield a diphosphate end, and by transferring the GMP moiety of GTP to the 5'-diphosphate terminus of RNA via a covalent enzyme-GMP reaction intermediate.

AlphaFold DB (A0A3B3VWZ1), UniProt , Accession A0A087YKV2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 602 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
1M29.5Very low67.8Low230 Ų23058.6 Ų58.6100%1.13331%0.311SS*.  0126.80-65.1-178.9-161.900106.8H3M1-H3 PolarHBondContact O-N 3.06Å
2S38.2Very low69.1Low89 Ų8959.8 Ų59.862%0.62232%0.317SS*.  trans-63.7129.7-178.952.40000110.5T4S2-T4 PolarHBondContact O-N 3.43Å; S2-T4 VanDerWaalsContact O-N 3.14Å
3H50.1Low70.4Confident69 Ų6955.5 Ų55.532%0.31929%0.294SS..  trans-54.5119.5172-117.9-94.5000109.5M1 G5 R72 D198 V201 G205M1-H3 PolarHBondContact O-N 3.06Å; H3-G5 VanDerWaalsContact C-N 3.29Å; H3-R72 PolarHBondContact O-NH1 3.5Å; H3-D198 IonicContact CE1-OD2 3.41Å; H3-D198 PolarHBondContact CE1-OD2 3.09Å; H3-D198 VanDerWaalsContact CE1-OD2 3.29Å; H3-D198 IonicContact ND1-OD2 3.21Å; H3-V201 HydrophobicContact CB-CG1 3.97Å; H3-V201 VanDerWaalsContact CD2-CG1 3.47Å; H3-V201 WeakPolarHBondContact CD2-CG1 3.46Å; H3-G205 WeakPolarHBondContact CB-O 3.4Å
4T62.5Low71.7Confident114 Ų11455.8 Ų55.870%0.69930%0.301SS*.  trans-84.9-3.9179480000112.7S2S2-T4 PolarHBondContact O-N 3.43Å; S2-T4 VanDerWaalsContact O-N 3.14Å
5G74.9Confident73.1Confident6 Ų658.2 Ų58.26%0.06230%0.304CS..SBendtrans-91.2174.3-178.700000115.6H3 R72H3-G5 VanDerWaalsContact C-N 3.29Å; G5-R72 PolarHBondContact O-NH1 3.27Å; G5-R72 PolarHBondContact O-NH2 2.8Å
6P81.1Confident74.3Confident8 Ų859.5 Ų59.55%0.05230%0.304CS..PPolyproline II helixtrans-58.2154.2175.827.4-35.3000110.8L31 Y35 V39P6-L31 HydrophobicContact CB-CD1 3.73Å; P6-Y35 HydrophobicContact CB-CD1 4.38Å; P6-V39 HydrophobicContact CB-CG2 4.06Å; P6-V39 HydrophobicContact CG-CG2 4.03Å
7P81.9Confident75.3Confident3 Ų356.3 Ų56.32%0.01929%0.289CS..PPolyproline II helixtrans-61.8147179.618.8-23.2000111.4W10 T29 F73 T127P7-W10 HydrophobicContact CB-CB 4.4Å; P7-W10 HydrophobicContact CG-CB 3.83Å; P7-W10 HydrophobicContact CG-CG 3.85Å; P7-W10 WeakPolarHBondContact O-CB 3.29Å; P7-W10 PolarHBondContact O-N 2.71Å; P7-T29 HydrophobicContact CG-CG2 4.31Å; P7-F73 HydrophobicContact CB-CE1 3.87Å; P7-F73 HydrophobicContact CB-CZ 3.86Å; P7-F73 HydrophobicContact CG-CD1 4.17Å; P7-F73 HydrophobicContact CG-CE1 3.44Å; P7-F73 VanDerWaalsContact CG-CE1 3.44Å; P7-F73 HydrophobicContact CG-CZ 3.69Å; P7-T127 HydrophobicContact CB-CG2 3.49Å; P7-T127 VanDerWaalsContact CB-CG2 3.49Å; P7-T127 HydrophobicContact CG-CG2 3.78Å
8P77.8Confident76.1Confident12 Ų1259.4 Ų59.48%0.07830%0.302CS..THydrogen-bonded Turntrans-56.3146.3-178.5-22.330.9000111.8W10 H128 D196 V201P8-W10 PolarHBondContact O-N 3.36Å; P8-H128 PolarHBondContact O-NE2 2.77Å; P8-D196 WeakPolarHBondContact CB-O 3.38Å; P8-V201 HydrophobicContact CG-CG2 3.6Å
9R77.2Confident76.9Confident50 Ų5059.4 Ų59.419%0.18931%0.307CS..THydrogen-bonded Turntrans58.816.9177.3-51.1173.8-73.5-172.3-4.1114.5C13 C193 D196 D203R9-C13 WeakPolarHBondContact O-CB 3.27Å; R9-C193 WeakPolarHBondContact CD-O 3.35Å; R9-D196 VanDerWaalsContact CG-O 3.26Å; R9-D196 WeakPolarHBondContact CG-O 3.2Å; R9-D196 PolarHBondContact N-O 3.48Å; R9-D203 IonicContact NH2-OD1 2.77Å; R9-D203 PolarHBondContact NH2-OD1 2.82Å
10W88.3Confident77.7Confident0 Ų056.9 Ų56.90%029%0.293CS..  trans-86.5-30.7-176.9-176.395000113.6P7 P8 C13 K28 T29 L31 V39 N43 F45P7-W10 HydrophobicContact CB-CB 4.4Å; P7-W10 HydrophobicContact CG-CB 3.83Å; P7-W10 HydrophobicContact CG-CG 3.85Å; P7-W10 WeakPolarHBondContact O-CB 3.29Å; P7-W10 PolarHBondContact O-N 2.71Å; P8-W10 PolarHBondContact O-N 3.36Å; W10-C13 WeakPolarHBondContact O-CB 3.07Å; W10-C13 PolarHBondContact O-N 3.44Å; W10-K28 HydrophobicContact CD2-CD 4.26Å; W10-K28 VanDerWaalsContact CE2-CE 3.49Å; W10-K28 HydrophobicContact CG-CD 4.48Å; W10-K28 HydrophobicContact CZ2-CD 4.08Å; W10-K28 HydrophobicContact CZ2-CG 4.36Å; W10-K28 PolarHBondContact O-NZ 3.13Å; W10-T29 VanDerWaalsContact CE2-O 3.24Å; W10-T29 WeakPolarHBondContact CZ2-O 3.25Å; W10-T29 PolarHBondContact NE1-O 3.25Å; W10-L31 HydrophobicContact CD2-CD1 3.82Å; W10-L31 HydrophobicContact CD2-CG 4.25Å; W10-L31 HydrophobicContact CE3-CD1 3.58Å; W10-L31 HydrophobicContact CE3-CG 4.37Å; W10-L31 HydrophobicContact CH2-CB 4.15Å; W10-L31 HydrophobicContact CH2-CD1 3.61Å; W10-L31 HydrophobicContact CH2-CG 3.75Å; W10-L31 HydrophobicContact CZ2-CB 4.21Å; W10-L31 HydrophobicContact CZ2-CD1 3.82Å; W10-L31 HydrophobicContact CZ2-CG 3.56Å; W10-L31 HydrophobicContact CZ3-CD1 3.5Å; W10-L31 VanDerWaalsContact CZ3-CD1 3.5Å; W10-L31 HydrophobicContact CZ3-CG 4.17Å; W10-V39 HydrophobicContact CZ3-CG1 4.01Å; W10-N43 WeakPolarHBondContact CZ3-O 3.41Å; W10-F45 HydrophobicContact CH2-CB 3.74Å; W10-F45 HydrophobicContact CZ2-CB 3.83Å
11R84Confident78.2Confident64 Ų6455.7 Ų55.724%0.24229%0.292CS..SBendtrans-58.7-58.6-171.9-64.7-176-179.7104.3-4111.5C13 K28 Q38 N43 D196R11-C13 VanDerWaalsContact C-N 3.29Å; R11-C13 PolarHBondContact O-N 3.5Å; R11-K28 PolarHBondContact O-NZ 3.03Å; R11-Q38 PolarHBondContact NE-O 3.18Å; R11-Q38 PolarHBondContact NH2-O 3.43Å; R11-N43 PolarHBondContact O-OD1 3.47Å; R11-D196 IonicContact CZ-OD2 3.5Å; R11-D196 IonicContact NH1-OD1 3.54Å; R11-D196 PolarHBondContact NH1-OD1 2.96Å; R11-D196 IonicContact NH1-OD2 3.76Å; R11-D196 PolarHBondContact NH1-OD2 2.74Å
12N83.6Confident80.9Confident73 Ų7347.4 Ų47.439%0.3927%0.266SS..SBendtrans-83.7-4.3-177.8-60.3-19000113.1W192 D195N12-W192 HydrophobicContact CB-CB 3.55Å; N12-W192 WeakPolarHBondContact O-CB 3.4Å; N12-D195 PolarHBondContact ND2-OD2 2.91Å
13C86.2Confident83.5Confident3 Ų345.1 Ų45.12%0.0224%0.244CC..SBendtrans-65128.1173.7174.40000109.9R9 W10 R11 R15 K28 H128 W192R9-C13 WeakPolarHBondContact O-CB 3.27Å; W10-C13 WeakPolarHBondContact O-CB 3.07Å; W10-C13 PolarHBondContact O-N 3.44Å; R11-C13 VanDerWaalsContact C-N 3.29Å; R11-C13 PolarHBondContact O-N 3.5Å; C13-R15 PolarHBondContact O-N 3.1Å; C13-K28 HydrophobicContact CB-CD 4.07Å; C13-K28 VanDerWaalsContact O-CD 3.29Å; C13-K28 WeakPolarHBondContact O-CD 3.23Å; C13-K28 WeakPolarHBondContact O-CE 3.36Å; C13-K28 PolarHBondContact O-NZ 3.17Å; C13-H128 PolarHBondContact SG-O 3.45Å; C13-W192 HydrophobicContact CB-CD2 4.04Å; C13-W192 HydrophobicContact CB-CE3 3.75Å; C13-W192 HydrophobicContact CB-CZ3 4.04Å
14P89.1Confident85.6Confident60 Ų6041.8 Ų41.839%0.3923%0.229SC..  trans-58.6140.9179.4-23.832.3000111.6R16 R160P14-R16 PolarHBondContact O-N 3.34Å; P14-R160 PolarHBondContact O-NH1 2.94Å; P14-R160 PolarHBondContact O-NH2 3.04Å
15R92.1Very high87.2Confident92 Ų9236.4 Ų36.435%0.34720%0.196SC..SBendtrans-60.2-43.7-171.9-62.2177.8-175.4166.31.4113.5C13 M27 K28 E42 R44 F45C13-R15 PolarHBondContact O-N 3.1Å; R15-M27 WeakPolarHBondContact O-CB 3.33Å; R15-K28 PolarHBondContact O-N 2.96Å; R15-E42 PolarHBondContact NH2-O 3.1Å; R15-R44 PolarHBondContact NE-O 3.36Å; R15-R44 PolarHBondContact NH2-O 3.21Å; R15-F45 HydrophobicContact CB-CD1 4.23Å; R15-F45 HydrophobicContact CB-CD2 4.05Å; R15-F45 HydrophobicContact CB-CE1 4.36Å; R15-F45 HydrophobicContact CB-CE2 4.21Å; R15-F45 HydrophobicContact CB-CG 4.07Å; R15-F45 HydrophobicContact CB-CZ 4.37Å; R15-F45 HydrophobicContact CG-CB 4.07Å; R15-F45 HydrophobicContact CG-CD1 4.47Å; R15-F45 HydrophobicContact CG-CD2 4.05Å; R15-F45 HydrophobicContact CG-CG 3.94Å
16R92.3Very high88.3Confident79 Ų7936.1 Ų36.130%0.29819%0.193SC..BIsolated β-bridgetrans-153.9160.8-174.257.5174.5-177.971.34.7112.5P14 M27 Y53 R160P14-R16 PolarHBondContact O-N 3.34Å; R16-M27 HydrophobicContact CB-CB 3.86Å; R16-Y53 VanDerWaalsContact CD-CE1 3.5Å; R16-Y53 VanDerWaalsContact NH1-CZ 3.34Å; R16-Y53 PolarHBondContact NH1-OH 3.05Å; R16-Y53 VanDerWaalsContact NH2-CZ 3.26Å; R16-Y53 PolarHBondContact NH2-OH 3.04Å; R16-R160 PolarHBondContact O-NH1 2.81Å
17G91.2Very high88.9Confident5 Ų535.8 Ų35.85%0.05219%0.191CC..  trans-88.4-160.7167.200000112.2P26 A159G17-P26 PolarHBondContact N-O 2.84Å; G17-A159 CarbonylContact C-O 3.53Å; G17-A159 WeakPolarHBondContact CA-O 3.25Å
18Q90.7Very high89.5Confident113 Ų11335.7 Ų35.753%0.52819%0.19SC..  trans-96.9157.3169.5-58.8-59.9-19.800110.6L20 P26 A159Q18-L20 PolarHBondContact O-N 3.44Å; Q18-P26 WeakPolarHBondContact O-CD 3.34Å; Q18-A159 PolarHBondContact N-O 3.01Å
19P91.2Very high90.2Very high59 Ų5935.1 Ų35.138%0.38319%0.187SC..  trans-55.8127.6170.6-24.634.8000111.7F24 L25P19-F24 CarbonylContact C-O 3.57Å; P19-F24 WeakPolarHBondContact CA-O 3.46Å; P19-L25 HydrophobicContact CG-CD1 4.41Å
20L91.5Very high91.1Very high8 Ų832.8 Ų32.84%0.04218%0.178CC..BIsolated β-bridgetrans-107.3132.4179.3178.160.1000109.8Q18 G22 K23 F24 I137 L141 A155 F156 A159Q18-L20 PolarHBondContact O-N 3.44Å; L20-G22 PolarHBondContact O-N 3.08Å; L20-K23 PolarHBondContact O-N 2.88Å; L20-F24 HydrophobicContact CB-CB 4.45Å; L20-F24 PolarHBondContact N-O 2.94Å; L20-F24 PolarHBondContact O-N 3.11Å; L20-I137 HydrophobicContact CD2-CG2 3.62Å; L20-I137 HydrophobicContact CG-CG2 4.5Å; L20-L141 HydrophobicContact CD2-CD1 4.05Å; L20-L141 HydrophobicContact CG-CD1 4.23Å; L20-A155 HydrophobicContact CD1-CB 3.67Å; L20-F156 HydrophobicContact CD2-CB 4.1Å; L20-F156 HydrophobicContact CD2-CD2 3.87Å; L20-A159 HydrophobicContact CB-CB 4.04Å; L20-A159 HydrophobicContact CD1-CB 4.18Å
21A88.5Confident91.2Very high33 Ų3333 Ų3327%0.27318%0.179SC..THydrogen-bonded Turntrans51.524.4-177.400000114K23 L141 M145 W147A21-K23 PolarHBondContact O-N 2.8Å; A21-K23 VanDerWaalsContact O-N 3.13Å; A21-L141 HydrophobicContact CB-CD2 3.6Å; A21-M145 HydrophobicContact CB-CE 4Å; A21-M145 HydrophobicContact CB-SD 4.04Å; A21-W147 HydrophobicContact CB-CH2 4.49Å; A21-W147 HydrophobicContact CB-CZ2 4.24Å
22G86.9Confident91.4Very high56 Ų5630.1 Ų30.158%0.57717%0.169SC*.THydrogen-bonded Turntrans65.47.8-175.800000115.2L20 L121L20-G22 PolarHBondContact O-N 3.08Å; G22-L121 WeakPolarHBondContact O-CD2 3.46Å
23K91.8Very high91.6Very high40 Ų4030.9 Ų30.917%0.17418%0.178CC..THydrogen-bonded Turntrans-125.1-41.6-173.6-63-61.4-177.51710113.5L20 A21 I114 P118 L121 I122L20-K23 PolarHBondContact O-N 2.88Å; A21-K23 PolarHBondContact O-N 2.8Å; A21-K23 VanDerWaalsContact O-N 3.13Å; K23-I114 HydrophobicContact CB-CD1 4.29Å; K23-I114 HydrophobicContact CD-CD1 4.25Å; K23-I114 HydrophobicContact CD-CG1 4.23Å; K23-I114 HydrophobicContact CD-CG2 4.42Å; K23-I114 HydrophobicContact CG-CD1 4.17Å; K23-P118 PolarHBondContact NZ-O 3.46Å; K23-L121 WeakPolarHBondContact O-CA 3.49Å; K23-L121 WeakPolarHBondContact O-CD2 3.24Å; K23-I122 PolarHBondContact O-N 3.38Å
24F96.1Very high91.6Very high0 Ų038.9 Ų38.90%021%0.208CC..EExtended strand (participates in β ladder)trans-105.5136.4-169.7-62.2-78000112P19 L20 F106 C110 I114 I122 V124 I137 Y140 L141P19-F24 CarbonylContact C-O 3.57Å; P19-F24 WeakPolarHBondContact CA-O 3.46Å; L20-F24 HydrophobicContact CB-CB 4.45Å; L20-F24 PolarHBondContact N-O 2.94Å; L20-F24 PolarHBondContact O-N 3.11Å; F24-F106 HydrophobicContact CE1-CZ 4.2Å; F24-C110 HydrophobicContact CE1-CB 4.26Å; F24-C110 HydrophobicContact CZ-CB 4.28Å; F24-I114 HydrophobicContact CZ-CD1 4.34Å; F24-I122 CarbonylContact C-O 3.57Å; F24-I122 WeakPolarHBondContact CA-O 3.5Å; F24-I122 HydrophobicContact CD1-CB 4.04Å; F24-I122 HydrophobicContact CD1-CG2 4.27Å; F24-I122 HydrophobicContact CE1-CB 4.24Å; F24-I122 HydrophobicContact CE1-CD1 3.95Å; F24-I122 HydrophobicContact CE1-CG2 4.34Å; F24-V124 HydrophobicContact CD1-CG2 4.06Å; F24-I137 HydrophobicContact CB-CD1 4.08Å; F24-I137 HydrophobicContact CB-CG1 4.29Å; F24-I137 HydrophobicContact CB-CG2 4.11Å; F24-I137 HydrophobicContact CD1-CG1 4.18Å; F24-I137 HydrophobicContact CD2-CG2 3.89Å; F24-I137 HydrophobicContact CG-CG1 4.21Å; F24-I137 HydrophobicContact CG-CG2 3.93Å; F24-Y140 AromaticContact CE2-CD1 3.42Å; F24-Y140 HydrophobicContact CE2-CD1 3.42Å; F24-Y140 VanDerWaalsContact CE2-CD1 3.42Å; F24-Y140 AromaticContact CE2-CE1 3.77Å; F24-Y140 HydrophobicContact CE2-CE1 3.77Å; F24-Y140 HydrophobicContact CE2-CG 4.09Å; F24-Y140 AromaticContact CZ-CD1 3.41Å; F24-Y140 HydrophobicContact CZ-CD1 3.41Å; F24-Y140 VanDerWaalsContact CZ-CD1 3.41Å; F24-Y140 HydrophobicContact CZ-CD2 4.15Å; F24-Y140 AromaticContact CZ-CE1 3.73Å; F24-Y140 HydrophobicContact CZ-CE1 3.73Å; F24-Y140 HydrophobicContact CZ-CE2 4.41Å; F24-Y140 AromaticContact CZ-CG 3.66Å; F24-Y140 HydrophobicContact CZ-CG 3.66Å; F24-L141 HydrophobicContact CE2-CD2 4.46Å
25L95.7Very high91.5Very high1 Ų136.4 Ų36.41%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-116.8101.1169.7-175.964.4000109.8P19 M27 L50 Y53 M61 I122 V124P19-L25 HydrophobicContact CG-CD1 4.41Å; L25-M27 HydrophobicContact CB-CE 4.38Å; L25-M27 HydrophobicContact CD2-CE 4.03Å; L25-M27 HydrophobicContact CG-CE 4.14Å; L25-M27 WeakPolarHBondContact O-CE 3.41Å; L25-L50 HydrophobicContact CD2-CD1 4.42Å; L25-Y53 HydrophobicContact CD2-CE1 4.31Å; L25-M61 HydrophobicContact CB-CE 4.18Å; L25-M61 HydrophobicContact CD2-CE 3.8Å; L25-I122 PolarHBondContact N-O 2.87Å; L25-V124 PolarHBondContact O-N 3.37Å
26P96.3Very high91.3Very high0 Ų033.7 Ų33.70%018%0.183CC..EExtended strand (participates in β ladder)trans-75133.5176.430.1-33.4000110.9G17 Q18 V124 T133 I137 F156 R160G17-P26 PolarHBondContact N-O 2.84Å; Q18-P26 WeakPolarHBondContact O-CD 3.34Å; P26-V124 WeakPolarHBondContact CA-O 3.47Å; P26-T133 HydrophobicContact CB-CG2 3.73Å; P26-I137 HydrophobicContact CB-CD1 4.14Å; P26-F156 HydrophobicContact CB-CE2 3.81Å; P26-F156 HydrophobicContact CB-CZ 4.38Å; P26-F156 HydrophobicContact CG-CE2 4.11Å; P26-R160 HydrophobicContact CB-CB 4.45Å; P26-R160 HydrophobicContact CB-CG 4.33Å; P26-R160 HydrophobicContact CG-CB 3.93Å; P26-R160 HydrophobicContact CG-CG 4.26Å
27M95.3Very high90.9Very high0 Ų037.8 Ų37.80%021%0.211CC..EExtended strand (participates in β ladder)trans-148.5162.6-179.568.2-172.593.900113.1R15 R16 L25 F45 L50 M61 L64 V124 H125 G129R15-M27 WeakPolarHBondContact O-CB 3.33Å; R16-M27 HydrophobicContact CB-CB 3.86Å; L25-M27 HydrophobicContact CB-CE 4.38Å; L25-M27 HydrophobicContact CD2-CE 4.03Å; L25-M27 HydrophobicContact CG-CE 4.14Å; L25-M27 WeakPolarHBondContact O-CE 3.41Å; M27-F45 HydrophobicContact SD-CZ 4.48Å; M27-L50 HydrophobicContact CE-CD1 4.12Å; M27-L50 HydrophobicContact CE-CD2 4.2Å; M27-L50 HydrophobicContact SD-CD1 4.03Å; M27-L50 HydrophobicContact SD-CD2 3.89Å; M27-M61 HydrophobicContact CE-CE 3.76Å; M27-M61 HydrophobicContact CE-SD 4.35Å; M27-L64 HydrophobicContact CE-CD1 3.94Å; M27-L64 HydrophobicContact SD-CD1 4.28Å; M27-V124 PolarHBondContact N-O 3.41Å; M27-H125 HydrophobicContact CG-CB 3.75Å; M27-H125 VanDerWaalsContact O-CA 3.31Å; M27-H125 WeakPolarHBondContact O-CA 3.31Å; M27-H125 WeakPolarHBondContact O-CB 3.36Å; M27-G129 WeakPolarHBondContact O-CA 3.43Å
28K93.6Very high90.5Very high2 Ų241.5 Ų41.51%0.00923%0.227CC..PPolyproline II helixtrans-75.5160.6169.677.9-178.7-176.2173.70110.1W10 R11 C13 R15 F45 H128W10-K28 HydrophobicContact CD2-CD 4.26Å; W10-K28 VanDerWaalsContact CE2-CE 3.49Å; W10-K28 HydrophobicContact CG-CD 4.48Å; W10-K28 HydrophobicContact CZ2-CD 4.08Å; W10-K28 HydrophobicContact CZ2-CG 4.36Å; W10-K28 PolarHBondContact O-NZ 3.13Å; R11-K28 PolarHBondContact O-NZ 3.03Å; C13-K28 HydrophobicContact CB-CD 4.07Å; C13-K28 VanDerWaalsContact O-CD 3.29Å; C13-K28 WeakPolarHBondContact O-CD 3.23Å; C13-K28 WeakPolarHBondContact O-CE 3.36Å; C13-K28 PolarHBondContact O-NZ 3.17Å; R15-K28 PolarHBondContact O-N 2.96Å; K28-F45 HydrophobicContact CG-CD1 3.91Å; K28-F45 HydrophobicContact CG-CE1 4.33Å; K28-H128 WeakPolarHBondContact CB-O 3.11Å
29T93.6Very high90.2Very high0 Ų036.3 Ų36.30%020%0.203CC..PPolyproline II helixtrans-59.9144174.4-168.70000110.3P7 W10 F73 H125 C126 T127P7-T29 HydrophobicContact CG-CG2 4.31Å; W10-T29 VanDerWaalsContact CE2-O 3.24Å; W10-T29 WeakPolarHBondContact CZ2-O 3.25Å; W10-T29 PolarHBondContact NE1-O 3.25Å; T29-F73 HydrophobicContact CG2-CD2 3.74Å; T29-F73 HydrophobicContact CG2-CE2 3.95Å; T29-F73 HydrophobicContact CG2-CG 4.08Å; T29-F73 HydrophobicContact CG2-CZ 4.46Å; T29-F73 WeakPolarHBondContact OG1-CD2 3.44Å; T29-H125 PolarHBondContact OG1-CE1 3.35Å; T29-C126 WeakPolarHBondContact CB-O 3.48Å; T29-C126 PolarHBondContact N-O 3.35Å; T29-C126 VanDerWaalsContact N-O 3.13Å; T29-T127 HydrophobicContact CG2-CG2 4.4Å; T29-T127 WeakPolarHBondContact CG2-O 3.34Å; T29-T127 PolarHBondContact N-O 3.01Å
30M94.2Very high89.9Confident0 Ų035.7 Ų35.70%020%0.203CC..PPolyproline II helixtrans-79.1159.4172-68.8160.8-65.900109.6F45 P47 L50 L64 F73 Y74 I79M30-F45 CarbonylContact C-O 3.53Å; M30-F45 WeakPolarHBondContact CA-O 3.44Å; M30-F45 HydrophobicContact CB-CD1 4.41Å; M30-F45 VanDerWaalsContact CB-O 3.28Å; M30-F45 WeakPolarHBondContact CB-O 3.31Å; M30-F45 HydrophobicContact CG-CD1 3.62Å; M30-F45 HydrophobicContact CG-CE1 3.42Å; M30-F45 VanDerWaalsContact CG-CE1 3.42Å; M30-F45 HydrophobicContact CG-CE2 4.41Å; M30-F45 HydrophobicContact CG-CG 4.22Å; M30-F45 HydrophobicContact CG-CZ 3.85Å; M30-F45 HydrophobicContact SD-CE1 4.44Å; M30-F45 HydrophobicContact SD-CZ 4.36Å; M30-P47 HydrophobicContact CB-CG 4.28Å; M30-P47 VanDerWaalsContact SD-CA 3.59Å; M30-P47 HydrophobicContact SD-CB 4.32Å; M30-P47 HydrophobicContact SD-CG 4.39Å; M30-L50 HydrophobicContact CE-CD2 4.2Å; M30-L50 HydrophobicContact SD-CB 3.96Å; M30-L50 HydrophobicContact SD-CD2 3.86Å; M30-L64 HydrophobicContact CE-CD2 3.65Å; M30-F73 WeakPolarHBondContact O-CB 3.29Å; M30-Y74 HydrophobicContact CB-CD1 3.96Å; M30-Y74 HydrophobicContact CB-CE1 4.3Å; M30-Y74 HydrophobicContact CB-CG 4.29Å; M30-Y74 HydrophobicContact CE-CE1 4.12Å; M30-Y74 HydrophobicContact CE-CE2 4.05Å; M30-Y74 VanDerWaalsContact O-CD1 3.28Å; M30-Y74 WeakPolarHBondContact O-CD1 3.29Å; M30-I79 HydrophobicContact CE-CD1 3.69Å; M30-I79 HydrophobicContact CE-CG1 4.47Å; M30-I79 HydrophobicContact SD-CD1 4.22Å
31L91.9Very high89.5Confident4 Ų442.4 Ų42.42%0.02123%0.234CC..  trans-120.4138171-67.1-177.4000108.9P6 W10 Y35 V39 F45 H46 F73P6-L31 HydrophobicContact CB-CD1 3.73Å; W10-L31 HydrophobicContact CD2-CD1 3.82Å; W10-L31 HydrophobicContact CD2-CG 4.25Å; W10-L31 HydrophobicContact CE3-CD1 3.58Å; W10-L31 HydrophobicContact CE3-CG 4.37Å; W10-L31 HydrophobicContact CH2-CB 4.15Å; W10-L31 HydrophobicContact CH2-CD1 3.61Å; W10-L31 HydrophobicContact CH2-CG 3.75Å; W10-L31 HydrophobicContact CZ2-CB 4.21Å; W10-L31 HydrophobicContact CZ2-CD1 3.82Å; W10-L31 HydrophobicContact CZ2-CG 3.56Å; W10-L31 HydrophobicContact CZ3-CD1 3.5Å; W10-L31 VanDerWaalsContact CZ3-CD1 3.5Å; W10-L31 HydrophobicContact CZ3-CG 4.17Å; L31-Y35 HydrophobicContact CB-CD2 3.79Å; L31-Y35 HydrophobicContact CB-CG 4.3Å; L31-Y35 HydrophobicContact CD1-CD2 4.31Å; L31-Y35 HydrophobicContact CD1-CG 4.14Å; L31-Y35 HydrophobicContact CD2-CD2 3.83Å; L31-Y35 HydrophobicContact CD2-CE2 3.86Å; L31-Y35 HydrophobicContact CD2-CG 4.36Å; L31-Y35 HydrophobicContact CG-CD2 4.18Å; L31-V39 HydrophobicContact CD1-CG2 4.19Å; L31-F45 PolarHBondContact N-O 3.21Å; L31-H46 WeakPolarHBondContact O-CA 3.41Å; L31-H46 PolarHBondContact O-CD2 2.87Å; L31-F73 CarbonylContact C-O 3.57Å; L31-F73 WeakPolarHBondContact CA-O 3.24Å; L31-F73 HydrophobicContact CD2-CB 4.02Å; L31-F73 HydrophobicContact CD2-CD1 3.67Å; L31-F73 HydrophobicContact CD2-CG 4.13Å
32G88.4Confident89.3Confident4 Ų447.3 Ų47.34%0.04125%0.251CS..  trans-79.9173.6173.600000112.7R34 Y35 F73G32-R34 PolarHBondContact O-N 3.1Å; G32-Y35 PolarHBondContact O-N 3.47Å; G32-Y35 VanDerWaalsContact O-N 3.16Å; G32-F73 PolarHBondContact N-O 3.13Å
33P86.3Confident89.2Confident89 Ų8946.5 Ų46.558%0.57823%0.234SC*.G310 helixtrans-56.6-21.1-175.7-27.235.3000115.3Y35 D36P33-Y35 PolarHBondContact O-N 2.8Å; P33-D36 VanDerWaalsContact O-CB 3.3Å; P33-D36 WeakPolarHBondContact O-CB 3.41Å; P33-D36 VanDerWaalsContact O-CG 3.29Å; P33-D36 PolarHBondContact O-N 3.45Å
34R86.8Confident89.1Confident171 Ų17147.6 Ų47.665%0.64524%0.237SC*.G310 helixtrans-59.1-16177.169.1176.254.3168.5-7.3114.7G32 R72G32-R34 PolarHBondContact O-N 3.1Å; R34-R72 PolarHBondContact NH1-O 3.13Å
35Y87.6Confident88.9Confident9 Ų948 Ų484%0.03524%0.238CC..G310 helixtrans-103.10.9179.6-61.9-77.2000112.8P6 L31 G32 P33 D37 Q38 V39 R72 F73P6-Y35 HydrophobicContact CB-CD1 4.38Å; L31-Y35 HydrophobicContact CB-CD2 3.79Å; L31-Y35 HydrophobicContact CB-CG 4.3Å; L31-Y35 HydrophobicContact CD1-CD2 4.31Å; L31-Y35 HydrophobicContact CD1-CG 4.14Å; L31-Y35 HydrophobicContact CD2-CD2 3.83Å; L31-Y35 HydrophobicContact CD2-CE2 3.86Å; L31-Y35 HydrophobicContact CD2-CG 4.36Å; L31-Y35 HydrophobicContact CG-CD2 4.18Å; G32-Y35 PolarHBondContact O-N 3.47Å; G32-Y35 VanDerWaalsContact O-N 3.16Å; P33-Y35 PolarHBondContact O-N 2.8Å; Y35-D37 VanDerWaalsContact C-N 3.3Å; Y35-D37 PolarHBondContact O-N 3.09Å; Y35-Q38 CarbonylContact O-C 3.57Å; Y35-Q38 PolarHBondContact O-N 3.46Å; Y35-V39 WeakPolarHBondContact O-CG2 3.34Å; Y35-V39 PolarHBondContact O-N 2.9Å; Y35-R72 PolarHBondContact OH-NH1 2.96Å; Y35-R72 PolarHBondContact OH-O 3.42Å; Y35-F73 WeakPolarHBondContact CE2-O 3.24Å
36D86.8Confident88.7Confident34 Ų3449.5 Ų49.518%0.18225%0.245CC..G310 helixtrans-64.7-32.3-171.3-74.1-1.7000113.2P33 Q38 R44 H46P33-D36 VanDerWaalsContact O-CB 3.3Å; P33-D36 WeakPolarHBondContact O-CB 3.41Å; P33-D36 VanDerWaalsContact O-CG 3.29Å; P33-D36 PolarHBondContact O-N 3.45Å; D36-Q38 PolarHBondContact O-N 3.14Å; D36-R44 PolarHBondContact O-NH2 3Å; D36-R44 IonicContact OD1-NE 2.73Å; D36-H46 IonicContact OD1-CD2 2.84Å; D36-H46 IonicContact OD1-CE1 2.79Å; D36-H46 PolarHBondContact OD1-CE1 3.07Å; D36-H46 IonicContact OD1-NE2 3.36Å; D36-H46 PolarHBondContact OD1-NE2 3.3Å; D36-H46 IonicContact OD2-CE1 2.81Å; D36-H46 PolarHBondContact OD2-CE1 3.29Å; D36-H46 IonicContact OD2-NE2 2.64Å; D36-H46 PolarHBondContact OD2-NE2 2.95Å
37D84.9Confident88.5Confident165 Ų16549.7 Ų49.788%0.88225%0.247SC*.G310 helixtrans-72.2-16.2175.4-60.8-32.6000112.9Y35Y35-D37 VanDerWaalsContact C-N 3.3Å; Y35-D37 PolarHBondContact O-N 3.09Å
38Q82.4Confident88.2Confident83 Ų8352.7 Ų52.739%0.38827%0.268SS..G310 helixtrans-110.6-5.7-176.2-59.4-178.154.500113.4R11 Y35 D36R11-Q38 PolarHBondContact NE-O 3.18Å; R11-Q38 PolarHBondContact NH2-O 3.43Å; Y35-Q38 CarbonylContact O-C 3.57Å; Y35-Q38 PolarHBondContact O-N 3.46Å; D36-Q38 PolarHBondContact O-N 3.14Å
39V84.8Confident88.1Confident4 Ų455.2 Ų55.22%0.02428%0.28CS..SBendtrans-131.6113.9-177.1-178.60000108.5P6 W10 L31 Y35 N43 R44P6-V39 HydrophobicContact CB-CG2 4.06Å; P6-V39 HydrophobicContact CG-CG2 4.03Å; W10-V39 HydrophobicContact CZ3-CG1 4.01Å; L31-V39 HydrophobicContact CD1-CG2 4.19Å; Y35-V39 WeakPolarHBondContact O-CG2 3.34Å; Y35-V39 PolarHBondContact O-N 2.9Å; V39-N43 HydrophobicContact CG1-CB 3.84Å; V39-R44 HydrophobicContact CB-CG 4.36Å; V39-R44 HydrophobicContact CG1-CG 3.94Å; V39-R44 PolarHBondContact O-NE 3.34Å
40A84.5Confident87.9Confident47 Ų4755.3 Ų55.339%0.38828%0.281SS..  trans-55.1146.3175.100000111.3E42 N43 R44A40-E42 VanDerWaalsContact CB-CD 3.47Å; A40-E42 HydrophobicContact CB-CG 4.44Å; A40-E42 VanDerWaalsContact CB-OE2 3.25Å; A40-E42 WeakPolarHBondContact CB-OE2 3.27Å; A40-E42 PolarHBondContact O-N 2.87Å; A40-E42 VanDerWaalsContact O-N 3.16Å; A40-N43 PolarHBondContact O-N 3.37Å; A40-R44 PolarHBondContact O-N 3.37Å
41E83.9Confident87.5Confident149 Ų14955.5 Ų55.570%0.69628%0.282SS*.G310 helixtrans-54.8-39.2-169.1-169.7177.3169.100113N43 R44E41-N43 PolarHBondContact O-N 3.21Å; E41-R44 PolarHBondContact O-N 3.37Å
42E83.7Confident87.3Confident135 Ų13560 Ų6063%0.63131%0.306SS*.G310 helixtrans-60.3-27.8176.664-89.4-148.600113.4R15 A40R15-E42 PolarHBondContact NH2-O 3.1Å; A40-E42 VanDerWaalsContact CB-CD 3.47Å; A40-E42 HydrophobicContact CB-CG 4.44Å; A40-E42 VanDerWaalsContact CB-OE2 3.25Å; A40-E42 WeakPolarHBondContact CB-OE2 3.27Å; A40-E42 PolarHBondContact O-N 2.87Å; A40-E42 VanDerWaalsContact O-N 3.16Å
43N84.1Confident87.3Confident39 Ų3961.7 Ų61.721%0.20931%0.312CS..G310 helixtrans-99.3-8.1-176.3-70.8-37.8000113.4W10 R11 V39 A40 E41W10-N43 WeakPolarHBondContact CZ3-O 3.41Å; R11-N43 PolarHBondContact O-OD1 3.47Å; V39-N43 HydrophobicContact CG1-CB 3.84Å; A40-N43 PolarHBondContact O-N 3.37Å; E41-N43 PolarHBondContact O-N 3.21Å
44R89.4Confident87.3Confident64 Ų6457.9 Ų57.924%0.24229%0.287CS..  trans-62.6145.5-178.9-66.7179.8-172.7163.7-6.4111.5R15 D36 V39 A40 E41 M49R15-R44 PolarHBondContact NE-O 3.36Å; R15-R44 PolarHBondContact NH2-O 3.21Å; D36-R44 PolarHBondContact O-NH2 3Å; D36-R44 IonicContact OD1-NE 2.73Å; V39-R44 HydrophobicContact CB-CG 4.36Å; V39-R44 HydrophobicContact CG1-CG 3.94Å; V39-R44 PolarHBondContact O-NE 3.34Å; A40-R44 PolarHBondContact O-N 3.37Å; E41-R44 PolarHBondContact O-N 3.37Å; R44-M49 HydrophobicContact CB-CE 4.09Å; R44-M49 WeakPolarHBondContact O-CE 3.43Å
45F93Very high87.3Confident7 Ų755.7 Ų55.73%0.03128%0.282CS..  trans-147.979.2175.2-173.5-135.6000110.7W10 R15 M27 K28 M30 L31 M49W10-F45 HydrophobicContact CH2-CB 3.74Å; W10-F45 HydrophobicContact CZ2-CB 3.83Å; R15-F45 HydrophobicContact CB-CD1 4.23Å; R15-F45 HydrophobicContact CB-CD2 4.05Å; R15-F45 HydrophobicContact CB-CE1 4.36Å; R15-F45 HydrophobicContact CB-CE2 4.21Å; R15-F45 HydrophobicContact CB-CG 4.07Å; R15-F45 HydrophobicContact CB-CZ 4.37Å; R15-F45 HydrophobicContact CG-CB 4.07Å; R15-F45 HydrophobicContact CG-CD1 4.47Å; R15-F45 HydrophobicContact CG-CD2 4.05Å; R15-F45 HydrophobicContact CG-CG 3.94Å; M27-F45 HydrophobicContact SD-CZ 4.48Å; K28-F45 HydrophobicContact CG-CD1 3.91Å; K28-F45 HydrophobicContact CG-CE1 4.33Å; M30-F45 CarbonylContact C-O 3.53Å; M30-F45 WeakPolarHBondContact CA-O 3.44Å; M30-F45 HydrophobicContact CB-CD1 4.41Å; M30-F45 VanDerWaalsContact CB-O 3.28Å; M30-F45 WeakPolarHBondContact CB-O 3.31Å; M30-F45 HydrophobicContact CG-CD1 3.62Å; M30-F45 HydrophobicContact CG-CE1 3.42Å; M30-F45 VanDerWaalsContact CG-CE1 3.42Å; M30-F45 HydrophobicContact CG-CE2 4.41Å; M30-F45 HydrophobicContact CG-CG 4.22Å; M30-F45 HydrophobicContact CG-CZ 3.85Å; M30-F45 HydrophobicContact SD-CE1 4.44Å; M30-F45 HydrophobicContact SD-CZ 4.36Å; L31-F45 PolarHBondContact N-O 3.21Å; F45-M49 HydrophobicContact CD2-CB 4.34Å
46H92.1Very high87.3Confident33 Ų3359.3 Ų59.315%0.15331%0.308CS..  trans-76.8154175.1-58.3165.8000112.9L31 D36 S48 M49L31-H46 WeakPolarHBondContact O-CA 3.41Å; L31-H46 PolarHBondContact O-CD2 2.87Å; D36-H46 IonicContact OD1-CD2 2.84Å; D36-H46 IonicContact OD1-CE1 2.79Å; D36-H46 PolarHBondContact OD1-CE1 3.07Å; D36-H46 IonicContact OD1-NE2 3.36Å; D36-H46 PolarHBondContact OD1-NE2 3.3Å; D36-H46 IonicContact OD2-CE1 2.81Å; D36-H46 PolarHBondContact OD2-CE1 3.29Å; D36-H46 IonicContact OD2-NE2 2.64Å; D36-H46 PolarHBondContact OD2-NE2 2.95Å; H46-S48 VanDerWaalsContact C-N 3.26Å; H46-S48 PolarHBondContact O-N 2.97Å; H46-M49 HydrophobicContact CB-CE 4Å; H46-M49 WeakPolarHBondContact O-CB 3.49Å; H46-M49 PolarHBondContact O-N 3.01Å
47P91.1Very high87Confident5 Ų561.7 Ų61.73%0.03232%0.321CS..Hα-helixtrans-48.9-41.7171.4-31.338.4000115M30 M49 L50 S51 Y74 D78 I79M30-P47 HydrophobicContact CB-CG 4.28Å; M30-P47 VanDerWaalsContact SD-CA 3.59Å; M30-P47 HydrophobicContact SD-CB 4.32Å; M30-P47 HydrophobicContact SD-CG 4.39Å; P47-M49 PolarHBondContact O-N 3.48Å; P47-L50 WeakPolarHBondContact O-CB 3.46Å; P47-L50 PolarHBondContact O-N 3.42Å; P47-S51 PolarHBondContact O-N 2.78Å; P47-Y74 HydrophobicContact CG-CD2 4.1Å; P47-Y74 HydrophobicContact CG-CG 4.24Å; P47-D78 HydrophobicContact CB-CB 3.98Å; P47-D78 HydrophobicContact CG-CB 4.22Å; P47-I79 HydrophobicContact CB-CD1 3.82Å; P47-I79 HydrophobicContact CG-CD1 4.48Å
48S89.6Confident87Confident63 Ų6363.5 Ų63.544%0.44132%0.321SS..Hα-helixtrans-60.6-31.7178.957.30000113.3H46 L50 S51 N52H46-S48 VanDerWaalsContact C-N 3.26Å; H46-S48 PolarHBondContact O-N 2.97Å; S48-L50 VanDerWaalsContact C-N 3.33Å; S48-S51 PolarHBondContact O-N 2.83Å; S48-N52 WeakPolarHBondContact O-CB 3.43Å; S48-N52 VanDerWaalsContact O-CG 3.23Å; S48-N52 PolarHBondContact O-N 2.92Å; S48-N52 PolarHBondContact O-ND2 3.02Å
49M91.1Very high87.3Confident55 Ų5562 Ų6227%0.27132%0.317SS..Hα-helixtrans-69.1-31.5176.9-76.4-168.1-92.900112.5R44 F45 H46 P47 Y53R44-M49 HydrophobicContact CB-CE 4.09Å; R44-M49 WeakPolarHBondContact O-CE 3.43Å; F45-M49 HydrophobicContact CD2-CB 4.34Å; H46-M49 HydrophobicContact CB-CE 4Å; H46-M49 WeakPolarHBondContact O-CB 3.49Å; H46-M49 PolarHBondContact O-N 3.01Å; P47-M49 PolarHBondContact O-N 3.48Å; M49-Y53 VanDerWaalsContact O-CB 3.31Å; M49-Y53 WeakPolarHBondContact O-CB 3.44Å; M49-Y53 PolarHBondContact O-N 3.35Å; M49-Y53 VanDerWaalsContact O-N 3.07Å
50L89.4Confident87.5Confident1 Ų167.6 Ų67.61%0.00534%0.341CS..Hα-helixtrans-65.4-48.7173176.862000110.2L25 M27 M30 P47 S48 N52 Y53 L54 M61L25-L50 HydrophobicContact CD2-CD1 4.42Å; M27-L50 HydrophobicContact CE-CD1 4.12Å; M27-L50 HydrophobicContact CE-CD2 4.2Å; M27-L50 HydrophobicContact SD-CD1 4.03Å; M27-L50 HydrophobicContact SD-CD2 3.89Å; M30-L50 HydrophobicContact CE-CD2 4.2Å; M30-L50 HydrophobicContact SD-CB 3.96Å; M30-L50 HydrophobicContact SD-CD2 3.86Å; P47-L50 WeakPolarHBondContact O-CB 3.46Å; P47-L50 PolarHBondContact O-N 3.42Å; S48-L50 VanDerWaalsContact C-N 3.33Å; L50-N52 PolarHBondContact O-N 3.47Å; L50-Y53 WeakPolarHBondContact O-CB 3.28Å; L50-Y53 PolarHBondContact O-N 2.83Å; L50-L54 HydrophobicContact CD1-CD1 4.22Å; L50-L54 HydrophobicContact CD1-CG 4.32Å; L50-L54 HydrophobicContact CG-CD1 4.07Å; L50-L54 WeakPolarHBondContact O-CG 3.4Å; L50-L54 PolarHBondContact O-N 2.81Å; L50-M61 HydrophobicContact CD1-CE 4.43Å; L50-M61 HydrophobicContact CD2-SD 4.2Å
51S85.8Confident88Confident4 Ų465.6 Ų65.63%0.02832%0.324CS..Hα-helixtrans-62.1-42.4180-52.40000112.2P47 S48 Y53 L54 K55 E82P47-S51 PolarHBondContact O-N 2.78Å; S48-S51 PolarHBondContact O-N 2.83Å; S51-Y53 VanDerWaalsContact C-N 3.34Å; S51-Y53 PolarHBondContact O-N 2.82Å; S51-L54 PolarHBondContact O-N 3.28Å; S51-K55 WeakPolarHBondContact O-CB 3.45Å; S51-K55 VanDerWaalsContact O-CG 3.28Å; S51-K55 WeakPolarHBondContact O-CG 3.5Å; S51-K55 PolarHBondContact O-N 2.92Å; S51-E82 WeakPolarHBondContact OG-CG 3.41Å
52N87.9Confident88.4Confident99 Ų9958.7 Ų58.753%0.52929%0.293SS..Hα-helixtrans-63.5-40176-71.8-16.4000112.2S48 L50 K55 S56S48-N52 WeakPolarHBondContact O-CB 3.43Å; S48-N52 VanDerWaalsContact O-CG 3.23Å; S48-N52 PolarHBondContact O-N 2.92Å; S48-N52 PolarHBondContact O-ND2 3.02Å; L50-N52 PolarHBondContact O-N 3.47Å; N52-K55 PolarHBondContact O-N 3.1Å; N52-S56 PolarHBondContact O-N 2.84Å
53Y87.7Confident89Confident39 Ų3952.4 Ų52.415%0.15326%0.264CS..Hα-helixtrans-63.7-46.8175.5168.4-110.8000111.8R16 L25 M49 L50 S51 K55 S56 L57R16-Y53 VanDerWaalsContact CD-CE1 3.5Å; R16-Y53 VanDerWaalsContact NH1-CZ 3.34Å; R16-Y53 PolarHBondContact NH1-OH 3.05Å; R16-Y53 VanDerWaalsContact NH2-CZ 3.26Å; R16-Y53 PolarHBondContact NH2-OH 3.04Å; L25-Y53 HydrophobicContact CD2-CE1 4.31Å; M49-Y53 VanDerWaalsContact O-CB 3.31Å; M49-Y53 WeakPolarHBondContact O-CB 3.44Å; M49-Y53 PolarHBondContact O-N 3.35Å; M49-Y53 VanDerWaalsContact O-N 3.07Å; L50-Y53 WeakPolarHBondContact O-CB 3.28Å; L50-Y53 PolarHBondContact O-N 2.83Å; S51-Y53 VanDerWaalsContact C-N 3.34Å; S51-Y53 PolarHBondContact O-N 2.82Å; Y53-K55 VanDerWaalsContact C-N 3.34Å; Y53-K55 PolarHBondContact O-N 2.83Å; Y53-S56 PolarHBondContact O-N 2.76Å; Y53-S56 VanDerWaalsContact O-N 3.15Å; Y53-S56 PolarHBondContact O-OG 2.76Å; Y53-L57 HydrophobicContact CD2-CD1 4.46Å; Y53-L57 HydrophobicContact CD2-CG 4.36Å; Y53-L57 HydrophobicContact CE1-CD1 3.9Å; Y53-L57 HydrophobicContact CE2-CD1 3.52Å; Y53-L57 HydrophobicContact CE2-CD2 4.29Å; Y53-L57 HydrophobicContact CE2-CG 3.74Å; Y53-L57 PolarHBondContact O-N 2.96Å; Y53-L57 VanDerWaalsContact O-N 3.11Å; Y53-L57 WeakPolarHBondContact OH-CD1 3.4Å
54L87.2Confident89.6Confident10 Ų1050.6 Ų50.65%0.05225%0.254CS..Hα-helixtrans-60-43.5177.3-70.6170.5000112L50 S51 S56 L57 K58 V59 M61 I84L50-L54 HydrophobicContact CD1-CD1 4.22Å; L50-L54 HydrophobicContact CD1-CG 4.32Å; L50-L54 HydrophobicContact CG-CD1 4.07Å; L50-L54 WeakPolarHBondContact O-CG 3.4Å; L50-L54 PolarHBondContact O-N 2.81Å; S51-L54 PolarHBondContact O-N 3.28Å; L54-S56 PolarHBondContact O-N 2.78Å; L54-L57 PolarHBondContact O-N 2.98Å; L54-K58 PolarHBondContact O-N 3.31Å; L54-K58 VanDerWaalsContact O-N 3.12Å; L54-V59 CarbonylContact C-O 3.59Å; L54-V59 WeakPolarHBondContact CB-O 3.47Å; L54-V59 PolarHBondContact O-N 3.21Å; L54-V59 VanDerWaalsContact O-N 3.12Å; L54-M61 HydrophobicContact CD1-CB 3.46Å; L54-M61 VanDerWaalsContact CD1-CB 3.46Å; L54-M61 HydrophobicContact CD1-CE 4.19Å; L54-M61 HydrophobicContact CD1-CG 4.44Å; L54-M61 HydrophobicContact CD1-SD 4.27Å; L54-M61 HydrophobicContact CD2-CB 4.24Å; L54-M61 HydrophobicContact CD2-CE 4.24Å; L54-M61 HydrophobicContact CG-CB 4.5Å; L54-I84 HydrophobicContact CD1-CD1 4.31Å
55K87.1Confident89.9Confident124 Ų12447.5 Ų47.554%0.53924%0.242SC..Hα-helixtrans-58.7-43.6173.6-72.1169.5-171.5167.80111.8S51 N52 Y53 L57 K58 E82S51-K55 WeakPolarHBondContact O-CB 3.45Å; S51-K55 VanDerWaalsContact O-CG 3.28Å; S51-K55 WeakPolarHBondContact O-CG 3.5Å; S51-K55 PolarHBondContact O-N 2.92Å; N52-K55 PolarHBondContact O-N 3.1Å; Y53-K55 VanDerWaalsContact C-N 3.34Å; Y53-K55 PolarHBondContact O-N 2.83Å; K55-L57 VanDerWaalsContact C-N 3.28Å; K55-L57 PolarHBondContact O-N 3.43Å; K55-K58 PolarHBondContact O-N 2.75Å; K55-K58 VanDerWaalsContact O-N 3.08Å; K55-E82 WeakPolarHBondContact CE-OE2 3.21Å; K55-E82 IonicContact NZ-OE1 2.83Å; K55-E82 IonicContact NZ-OE2 3.69Å; K55-E82 PolarHBondContact NZ-OE2 2.81Å
56S86.9Confident89.9Confident86 Ų8647.3 Ų47.360%0.60124%0.242SC*.Hα-helixtrans-63.5-3217874.60000113.6N52 Y53 L54 K58N52-S56 PolarHBondContact O-N 2.84Å; Y53-S56 PolarHBondContact O-N 2.76Å; Y53-S56 VanDerWaalsContact O-N 3.15Å; Y53-S56 PolarHBondContact O-OG 2.76Å; L54-S56 PolarHBondContact O-N 2.78Å; S56-K58 VanDerWaalsContact C-N 3.32Å
57L80.8Confident89.9Confident84 Ų8445.8 Ų45.844%0.4423%0.234SC..Hα-helixtrans-85.4-5.7176.4-70.1-167.9000113.6Y53 L54 K55 V59Y53-L57 HydrophobicContact CD2-CD1 4.46Å; Y53-L57 HydrophobicContact CD2-CG 4.36Å; Y53-L57 HydrophobicContact CE1-CD1 3.9Å; Y53-L57 HydrophobicContact CE2-CD1 3.52Å; Y53-L57 HydrophobicContact CE2-CD2 4.29Å; Y53-L57 HydrophobicContact CE2-CG 3.74Å; Y53-L57 PolarHBondContact O-N 2.96Å; Y53-L57 VanDerWaalsContact O-N 3.11Å; Y53-L57 WeakPolarHBondContact OH-CD1 3.4Å; L54-L57 PolarHBondContact O-N 2.98Å; K55-L57 VanDerWaalsContact C-N 3.28Å; K55-L57 PolarHBondContact O-N 3.43Å; L57-V59 HydrophobicContact CB-CB 4.33Å; L57-V59 HydrophobicContact CB-CG2 4Å; L57-V59 PolarHBondContact O-N 2.87Å
58K85.3Confident89.8Confident202 Ų20245.5 Ų45.588%0.87823%0.233SC*.THydrogen-bonded Turntrans53.933.9-170.4-55.4-179.2178.9-179.90112.3L54 K55 S56L54-K58 PolarHBondContact O-N 3.31Å; L54-K58 VanDerWaalsContact O-N 3.12Å; K55-K58 PolarHBondContact O-N 2.75Å; K55-K58 VanDerWaalsContact O-N 3.08Å; S56-K58 VanDerWaalsContact C-N 3.32Å
59V87.2Confident89.5Confident52 Ų5245.3 Ų45.332%0.31523%0.226SC..  trans-113.2135.4177.9179.30000109L54 L57 L121L54-V59 CarbonylContact C-O 3.59Å; L54-V59 WeakPolarHBondContact CB-O 3.47Å; L54-V59 PolarHBondContact O-N 3.21Å; L54-V59 VanDerWaalsContact O-N 3.12Å; L57-V59 HydrophobicContact CB-CB 4.33Å; L57-V59 HydrophobicContact CB-CG2 4Å; L57-V59 PolarHBondContact O-N 2.87Å; V59-L121 HydrophobicContact CG1-CD1 3.44Å; V59-L121 VanDerWaalsContact CG1-CD1 3.44Å; V59-L121 HydrophobicContact CG1-CG 3.6Å
60K90.4Very high89.1Confident122 Ų12243.6 Ų43.653%0.5322%0.219SC..  trans-96.1133176.7-170.4175.8171.9-154.60110.1E120 L121K60-E120 HydrophobicContact CB-CG 4.31Å; K60-E120 HydrophobicContact CD-CG 4.21Å; K60-E120 WeakPolarHBondContact CD-OE1 3.45Å; K60-E120 VanDerWaalsContact CE-OE1 3.27Å; K60-E120 WeakPolarHBondContact CE-OE1 3.2Å; K60-E120 HydrophobicContact CG-CG 4.29Å; K60-E120 IonicContact NZ-OE1 3.69Å; K60-E120 PolarHBondContact NZ-OE1 2.8Å; K60-E120 IonicContact NZ-OE2 3.14Å; K60-E120 WeakPolarHBondContact O-CA 3.4Å; K60-L121 PolarHBondContact O-N 3.05Å
61M93.8Very high89Confident4 Ų448.6 Ų48.62%0.0225%0.25CC..EExtended strand (participates in β ladder)trans-101.4128.1165.8180173.4-67.100107.4L25 M27 L50 L54 L63 L64 I84 L121L25-M61 HydrophobicContact CB-CE 4.18Å; L25-M61 HydrophobicContact CD2-CE 3.8Å; M27-M61 HydrophobicContact CE-CE 3.76Å; M27-M61 HydrophobicContact CE-SD 4.35Å; L50-M61 HydrophobicContact CD1-CE 4.43Å; L50-M61 HydrophobicContact CD2-SD 4.2Å; L54-M61 HydrophobicContact CD1-CB 3.46Å; L54-M61 VanDerWaalsContact CD1-CB 3.46Å; L54-M61 HydrophobicContact CD1-CE 4.19Å; L54-M61 HydrophobicContact CD1-CG 4.44Å; L54-M61 HydrophobicContact CD1-SD 4.27Å; L54-M61 HydrophobicContact CD2-CB 4.24Å; L54-M61 HydrophobicContact CD2-CE 4.24Å; L54-M61 HydrophobicContact CG-CB 4.5Å; M61-L63 WeakPolarHBondContact CG-O 3.16Å; M61-L64 HydrophobicContact SD-CD1 4.21Å; M61-I84 HydrophobicContact CB-CD1 4.23Å; M61-I84 HydrophobicContact CG-CD1 4.39Å; M61-I84 HydrophobicContact CG-CG2 4.03Å; M61-I84 WeakPolarHBondContact O-CG1 3.34Å; M61-I84 HydrophobicContact SD-CD1 4.43Å; M61-I84 HydrophobicContact SD-CG2 4.44Å; M61-L121 WeakPolarHBondContact CA-O 3.47Å; M61-L121 WeakPolarHBondContact CG-O 3.42Å
62G92.9Very high89Confident5 Ų550.1 Ų50.15%0.05226%0.255CS..EExtended strand (participates in β ladder)trans-109.2-12.2178.300000114.1K85 F113 E120 L121G62-K85 VanDerWaalsContact O-CB 3.25Å; G62-K85 WeakPolarHBondContact O-CB 3.41Å; G62-K85 PolarHBondContact O-N 3.02Å; G62-F113 VanDerWaalsContact C-CZ 3.48Å; G62-E120 WeakPolarHBondContact CA-OE2 3.42Å; G62-E120 PolarHBondContact N-OE2 3.37Å; G62-L121 PolarHBondContact N-O 2.96Å; G62-L121 VanDerWaalsContact N-O 3.13Å
63L95.8Very high89Confident3 Ų345.6 Ų45.62%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-141.5134-179.5176.365.6000110.9M61 V65 K85 L87 L109 F113 I122 G123M61-L63 WeakPolarHBondContact CG-O 3.16Å; L63-V65 HydrophobicContact CD1-CG2 4.45Å; L63-V65 HydrophobicContact CD2-CG2 4.1Å; L63-V65 HydrophobicContact CG-CG2 4.05Å; L63-K85 CarbonylContact C-O 3.57Å; L63-K85 WeakPolarHBondContact CA-O 3.15Å; L63-K85 HydrophobicContact CD1-CB 4.27Å; L63-K85 HydrophobicContact CD1-CG 4.35Å; L63-L87 HydrophobicContact CD1-CB 4.29Å; L63-L109 HydrophobicContact CD2-CD2 3.49Å; L63-L109 VanDerWaalsContact CD2-CD2 3.49Å; L63-F113 HydrophobicContact CB-CD1 4.15Å; L63-F113 HydrophobicContact CB-CD2 3.76Å; L63-F113 HydrophobicContact CB-CE1 4.03Å; L63-F113 HydrophobicContact CB-CE2 3.64Å; L63-F113 HydrophobicContact CB-CG 4.02Å; L63-F113 HydrophobicContact CB-CZ 3.8Å; L63-F113 HydrophobicContact CD2-CB 3.94Å; L63-F113 HydrophobicContact CD2-CD1 4.2Å; L63-F113 HydrophobicContact CD2-CD2 4.1Å; L63-F113 HydrophobicContact CD2-CG 3.78Å; L63-F113 HydrophobicContact CG-CD2 4.46Å; L63-I122 HydrophobicContact CB-CG1 4.44Å; L63-I122 HydrophobicContact CB-CG2 4.41Å; L63-I122 HydrophobicContact CD2-CD1 4.19Å; L63-I122 HydrophobicContact CD2-CG1 4.21Å; L63-I122 HydrophobicContact CD2-CG2 3.89Å; L63-I122 HydrophobicContact CG-CG2 4.14Å; L63-I122 CarbonylContact O-C 3.57Å; L63-I122 WeakPolarHBondContact O-CA 3.39Å; L63-G123 PolarHBondContact O-N 3.45Å
64L96.3Very high89.2Confident0 Ų044.6 Ų44.60%023%0.227CC..EExtended strand (participates in β ladder)trans-120.5120169.5-174.568.6000109.7M27 M30 M61 Y74 I79 I84 K85 Y86 L87 G123M27-L64 HydrophobicContact CE-CD1 3.94Å; M27-L64 HydrophobicContact SD-CD1 4.28Å; M30-L64 HydrophobicContact CE-CD2 3.65Å; M61-L64 HydrophobicContact SD-CD1 4.21Å; L64-Y74 WeakPolarHBondContact CD2-OH 3.36Å; L64-I79 HydrophobicContact CB-CG2 4.17Å; L64-I79 HydrophobicContact CD2-CD1 3.86Å; L64-I79 HydrophobicContact CD2-CG1 3.85Å; L64-I79 HydrophobicContact CD2-CG2 3.89Å; L64-I84 HydrophobicContact CB-CG2 4.03Å; L64-K85 PolarHBondContact N-O 3.03Å; L64-Y86 HydrophobicContact CD2-CD2 4.31Å; L64-L87 PolarHBondContact O-N 3.13Å; L64-G123 WeakPolarHBondContact CA-O 3.39Å
65V96.3Very high89.3Confident0 Ų047.7 Ų47.70%024%0.243CC..EExtended strand (participates in β ladder)trans-101.8115.6177.5-173.50000110.1L63 L67 L87 L89 F106 L109 I122 G123 V124 H125L63-V65 HydrophobicContact CD1-CG2 4.45Å; L63-V65 HydrophobicContact CD2-CG2 4.1Å; L63-V65 HydrophobicContact CG-CG2 4.05Å; V65-L67 HydrophobicContact CG1-CD2 3.8Å; V65-L87 CarbonylContact C-O 3.52Å; V65-L87 WeakPolarHBondContact CA-O 3.48Å; V65-L89 HydrophobicContact CG1-CD1 3.92Å; V65-L89 HydrophobicContact CG1-CG 4.22Å; V65-F106 HydrophobicContact CB-CE2 4.38Å; V65-F106 HydrophobicContact CG1-CD2 4.13Å; V65-F106 HydrophobicContact CG1-CE2 4.09Å; V65-F106 HydrophobicContact CG2-CE2 4.3Å; V65-L109 HydrophobicContact CG2-CD2 3.96Å; V65-I122 HydrophobicContact CG2-CG2 4.1Å; V65-G123 PolarHBondContact N-O 3.22Å; V65-V124 HydrophobicContact CB-CG1 4.46Å; V65-V124 HydrophobicContact CB-CG2 4.46Å; V65-H125 PolarHBondContact O-N 3.49Å
66D94.1Very high89.5Confident3 Ų348.4 Ų48.42%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-99.1115.1177.5177.93.1000110.9T68 Y86 L87 K88 L89 H125D66-T68 VanDerWaalsContact OD1-CB 3.28Å; D66-T68 WeakPolarHBondContact OD1-CB 3.36Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.45Å; D66-T68 PolarHBondContact OD1-N 3.33Å; D66-T68 PolarHBondContact OD1-OG1 3.49Å; D66-T68 PolarHBondContact OD2-OG1 2.87Å; D66-Y86 HydrophobicContact CB-CE2 3.69Å; D66-Y86 WeakPolarHBondContact CB-OH 3.32Å; D66-Y86 PolarHBondContact OD2-OH 3.45Å; D66-L87 PolarHBondContact N-O 2.82Å; D66-K88 HydrophobicContact CB-CG 4.33Å; D66-K88 VanDerWaalsContact CG-NZ 3.26Å; D66-K88 CarbonylContact O-C 3.5Å; D66-K88 WeakPolarHBondContact O-CA 3.49Å; D66-K88 IonicContact OD1-NZ 2.76Å; D66-K88 PolarHBondContact OD1-NZ 2.87Å; D66-K88 IonicContact OD2-NZ 2.76Å; D66-K88 PolarHBondContact OD2-NZ 2.96Å; D66-L89 PolarHBondContact O-N 3.39Å; D66-H125 WeakPolarHBondContact CB-NE2 3.3Å; D66-H125 IonicContact OD1-CE1 3.47Å; D66-H125 PolarHBondContact OD1-CE1 2.96Å; D66-H125 IonicContact OD1-ND1 3.56Å; D66-H125 IonicContact OD1-NE2 2.7Å; D66-H125 IonicContact OD2-CE1 3.68Å
67L92.1Very high89.7Confident0 Ų047.4 Ų47.40%023%0.231CC..  trans-97.93.5-178.1-52.5175.8000113.8V65 L89 V124 H125 C126 R132 L136V65-L67 HydrophobicContact CG1-CD2 3.8Å; L67-L89 WeakPolarHBondContact CA-O 3.5Å; L67-L89 HydrophobicContact CD2-CB 4.02Å; L67-L89 HydrophobicContact CD2-CD1 4.46Å; L67-V124 HydrophobicContact CD1-CG1 3.76Å; L67-V124 HydrophobicContact CG-CG1 4.26Å; L67-H125 VanDerWaalsContact CB-O 3.27Å; L67-H125 WeakPolarHBondContact CB-O 3.46Å; L67-H125 WeakPolarHBondContact CG-O 3.25Å; L67-H125 PolarHBondContact N-O 2.88Å; L67-C126 HydrophobicContact CB-CB 4.02Å; L67-R132 HydrophobicContact CD1-CB 4.12Å; L67-R132 PolarHBondContact O-NH1 3.04Å; L67-L136 HydrophobicContact CD1-CD1 3.77Å; L67-L136 HydrophobicContact CD2-CD1 3.5Å; L67-L136 VanDerWaalsContact CD2-CD1 3.5Å; L67-L136 HydrophobicContact CG-CD1 4.28Å
68T88.7Confident90.1Very high0 Ų046 Ų460%022%0.224CC..  trans-74.8148.8-178.164.30000111.2D66 T70 F73 K88D66-T68 VanDerWaalsContact OD1-CB 3.28Å; D66-T68 WeakPolarHBondContact OD1-CB 3.36Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.45Å; D66-T68 PolarHBondContact OD1-N 3.33Å; D66-T68 PolarHBondContact OD1-OG1 3.49Å; D66-T68 PolarHBondContact OD2-OG1 2.87Å; T68-T70 PolarHBondContact O-N 3.2Å; T68-T70 PolarHBondContact OG1-O 3.12Å; T68-T70 VanDerWaalsContact OG1-O 3.08Å; T68-F73 HydrophobicContact CG2-CD2 4.09Å; T68-F73 HydrophobicContact CG2-CE2 3.82Å; T68-K88 WeakPolarHBondContact O-CE 3.29Å; T68-K88 PolarHBondContact O-NZ 2.95Å; T68-K88 PolarHBondContact OG1-NZ 3.02Å
69N83.8Confident90.4Very high58 Ų5836.4 Ų36.431%0.3118%0.182SC..SBendtrans-90.230.4176.8-165.530.1000112.3D204N69-D204 PolarHBondContact N-OD2 2.57Å
70T82.7Confident90.6Very high19 Ų1937.9 Ų37.912%0.11719%0.185CC..  trans-153.2155.5-179.3-171.70000110.7T68 R72 F73 K88 D204T68-T70 PolarHBondContact O-N 3.2Å; T68-T70 PolarHBondContact OG1-O 3.12Å; T68-T70 VanDerWaalsContact OG1-O 3.08Å; T70-R72 HydrophobicContact CG2-CG 3.99Å; T70-R72 WeakPolarHBondContact OG1-CG 3.36Å; T70-R72 PolarHBondContact OG1-N 2.92Å; T70-F73 HydrophobicContact CG2-CD2 3.7Å; T70-F73 HydrophobicContact CG2-CE1 4.17Å; T70-F73 HydrophobicContact CG2-CE2 3.26Å; T70-F73 HydrophobicContact CG2-CG 4.33Å; T70-F73 HydrophobicContact CG2-CZ 3.53Å; T70-K88 VanDerWaalsContact O-CE 3.25Å; T70-K88 WeakPolarHBondContact O-CE 3.47Å; T70-K88 PolarHBondContact O-NZ 3.26Å; T70-D204 HydrophobicContact CG2-CB 3.99Å
71T85.4Confident90.6Very high106 Ų10639.4 Ų39.465%0.6519%0.192SC*.SBendtrans-110.38.8175.651.60000112.3F73 K88T71-F73 PolarHBondContact O-N 2.83Å; T71-K88 HydrophobicContact CG2-CD 4.01Å
72R86.1Confident90.3Very high37 Ų3743.4 Ų43.414%0.1421%0.211CC..  trans-76.7-19.2-17173.4-170.8-17496.58.6115H3 G5 R34 Y35 T70 D204H3-R72 PolarHBondContact O-NH1 3.5Å; G5-R72 PolarHBondContact O-NH1 3.27Å; G5-R72 PolarHBondContact O-NH2 2.8Å; R34-R72 PolarHBondContact NH1-O 3.13Å; Y35-R72 PolarHBondContact OH-NH1 2.96Å; Y35-R72 PolarHBondContact OH-O 3.42Å; T70-R72 HydrophobicContact CG2-CG 3.99Å; T70-R72 WeakPolarHBondContact OG1-CG 3.36Å; T70-R72 PolarHBondContact OG1-N 2.92Å; R72-D204 PolarHBondContact NE-O 3.24Å; R72-D204 VanDerWaalsContact NE-O 3.13Å; R72-D204 PolarHBondContact NH2-O 3.25Å
73F89.1Confident90.1Very high3 Ų345.9 Ų45.91%0.01324%0.236CC..SBendtrans-73.4-46.8-165.3-66.2-39.9000114.3P7 T29 M30 L31 G32 Y35 T68 T70 T71 T127 D204P7-F73 HydrophobicContact CB-CE1 3.87Å; P7-F73 HydrophobicContact CB-CZ 3.86Å; P7-F73 HydrophobicContact CG-CD1 4.17Å; P7-F73 HydrophobicContact CG-CE1 3.44Å; P7-F73 VanDerWaalsContact CG-CE1 3.44Å; P7-F73 HydrophobicContact CG-CZ 3.69Å; T29-F73 HydrophobicContact CG2-CD2 3.74Å; T29-F73 HydrophobicContact CG2-CE2 3.95Å; T29-F73 HydrophobicContact CG2-CG 4.08Å; T29-F73 HydrophobicContact CG2-CZ 4.46Å; T29-F73 WeakPolarHBondContact OG1-CD2 3.44Å; M30-F73 WeakPolarHBondContact O-CB 3.29Å; L31-F73 CarbonylContact C-O 3.57Å; L31-F73 WeakPolarHBondContact CA-O 3.24Å; L31-F73 HydrophobicContact CD2-CB 4.02Å; L31-F73 HydrophobicContact CD2-CD1 3.67Å; L31-F73 HydrophobicContact CD2-CG 4.13Å; G32-F73 PolarHBondContact N-O 3.13Å; Y35-F73 WeakPolarHBondContact CE2-O 3.24Å; T68-F73 HydrophobicContact CG2-CD2 4.09Å; T68-F73 HydrophobicContact CG2-CE2 3.82Å; T70-F73 HydrophobicContact CG2-CD2 3.7Å; T70-F73 HydrophobicContact CG2-CE1 4.17Å; T70-F73 HydrophobicContact CG2-CE2 3.26Å; T70-F73 HydrophobicContact CG2-CG 4.33Å; T70-F73 HydrophobicContact CG2-CZ 3.53Å; T71-F73 PolarHBondContact O-N 2.83Å; F73-T127 HydrophobicContact CZ-CG2 4.33Å; F73-D204 HydrophobicContact CZ-CB 4.26Å; F73-D204 VanDerWaalsContact CZ-O 3.29Å; F73-D204 WeakPolarHBondContact CZ-O 3.16Å
74Y91.1Very high90Very high18 Ų1846.1 Ų46.17%0.07124%0.237CC..SBendtrans-153.9161.7179.562.8-86.9000110.1M30 P47 L64 I79 Y86 H125M30-Y74 HydrophobicContact CB-CD1 3.96Å; M30-Y74 HydrophobicContact CB-CE1 4.3Å; M30-Y74 HydrophobicContact CB-CG 4.29Å; M30-Y74 HydrophobicContact CE-CE1 4.12Å; M30-Y74 HydrophobicContact CE-CE2 4.05Å; M30-Y74 VanDerWaalsContact O-CD1 3.28Å; M30-Y74 WeakPolarHBondContact O-CD1 3.29Å; P47-Y74 HydrophobicContact CG-CD2 4.1Å; P47-Y74 HydrophobicContact CG-CG 4.24Å; L64-Y74 WeakPolarHBondContact CD2-OH 3.36Å; Y74-I79 HydrophobicContact CD2-CG1 4.26Å; Y74-I79 HydrophobicContact CE2-CD1 4.37Å; Y74-I79 HydrophobicContact CE2-CG1 3.72Å; Y74-Y86 HydrophobicContact CE2-CE2 4.16Å; Y74-Y86 WeakPolarHBondContact OH-CE2 3.47Å; Y74-H125 AromaticContact CE1-CE1 3.85Å; Y74-H125 AromaticContact CE1-NE2 3.83Å; Y74-H125 AromaticContact CZ-NE2 3.67Å; Y74-H125 PolarHBondContact OH-NE2 3.44Å
75D89.7Confident89.8Confident75 Ų7552.5 Ų52.540%0.40127%0.265SS..  trans-82.1127.2175.7-172.3-7.6000110N77 D78D75-N77 PolarHBondContact O-N 3.1Å; D75-N77 WeakPolarHBondContact OD1-CB 3.42Å; D75-N77 PolarHBondContact OD1-N 2.81Å; D75-N77 PolarHBondContact OD1-ND2 3.29Å; D75-N77 PolarHBondContact OD2-ND2 3.02Å; D75-D78 PolarHBondContact O-N 3.45Å; D75-D78 VanDerWaalsContact O-N 3.14Å
76R91.1Very high89.8Confident139 Ų13954.1 Ų54.153%0.52527%0.271SS..THydrogen-bonded Turntrans-59-29.1176.171.9176.7-170.7-168.90.2112.4D78 I79 E80 Y86R76-D78 PolarHBondContact O-N 3.43Å; R76-I79 WeakPolarHBondContact O-CB 3.46Å; R76-I79 PolarHBondContact O-N 2.91Å; R76-E80 PolarHBondContact O-N 2.69Å; R76-E80 VanDerWaalsContact O-N 3.1Å; R76-Y86 HydrophobicContact CB-CD1 3.72Å; R76-Y86 HydrophobicContact CB-CD2 4.33Å; R76-Y86 HydrophobicContact CB-CE1 3.86Å; R76-Y86 HydrophobicContact CB-CE2 4.47Å; R76-Y86 HydrophobicContact CB-CG 3.95Å
77N90.6Very high89.7Confident66 Ų6656.3 Ų56.335%0.35328%0.283SS..Hα-helixtrans-61.6-28-179.5-62.2-41.8000111.4D75 I79 E80 K81D75-N77 PolarHBondContact O-N 3.1Å; D75-N77 WeakPolarHBondContact OD1-CB 3.42Å; D75-N77 PolarHBondContact OD1-N 2.81Å; D75-N77 PolarHBondContact OD1-ND2 3.29Å; D75-N77 PolarHBondContact OD2-ND2 3.02Å; N77-I79 PolarHBondContact O-N 3.31Å; N77-E80 PolarHBondContact O-N 3.07Å; N77-K81 WeakPolarHBondContact O-CB 3.37Å; N77-K81 WeakPolarHBondContact O-CD 3.39Å; N77-K81 WeakPolarHBondContact O-CG 3.49Å; N77-K81 PolarHBondContact O-N 3.31Å
78D89.4Confident89.6Confident55 Ų5558.5 Ų58.529%0.29429%0.292SS..Hα-helixtrans-72.4-20.7178.5-62.9-26.7000112.7P47 D75 R76 K81P47-D78 HydrophobicContact CB-CB 3.98Å; P47-D78 HydrophobicContact CG-CB 4.22Å; D75-D78 PolarHBondContact O-N 3.45Å; D75-D78 VanDerWaalsContact O-N 3.14Å; R76-D78 PolarHBondContact O-N 3.43Å; D78-K81 IonicContact OD1-NZ 3.3Å; D78-K81 PolarHBondContact OD1-NZ 3.46Å; D78-K81 VanDerWaalsContact OD1-NZ 3.09Å
79I92.3Very high89.6Confident0 Ų059.6 Ų59.60%030%0.298CS..Hα-helixtrans-84.7-46.2172-59.3-60000110.2M30 P47 L64 Y74 R76 N77 K81 E82 I84M30-I79 HydrophobicContact CE-CD1 3.69Å; M30-I79 HydrophobicContact CE-CG1 4.47Å; M30-I79 HydrophobicContact SD-CD1 4.22Å; P47-I79 HydrophobicContact CB-CD1 3.82Å; P47-I79 HydrophobicContact CG-CD1 4.48Å; L64-I79 HydrophobicContact CB-CG2 4.17Å; L64-I79 HydrophobicContact CD2-CD1 3.86Å; L64-I79 HydrophobicContact CD2-CG1 3.85Å; L64-I79 HydrophobicContact CD2-CG2 3.89Å; Y74-I79 HydrophobicContact CD2-CG1 4.26Å; Y74-I79 HydrophobicContact CE2-CD1 4.37Å; Y74-I79 HydrophobicContact CE2-CG1 3.72Å; R76-I79 WeakPolarHBondContact O-CB 3.46Å; R76-I79 PolarHBondContact O-N 2.91Å; N77-I79 PolarHBondContact O-N 3.31Å; I79-K81 VanDerWaalsContact C-N 3.34Å; I79-K81 PolarHBondContact O-N 3.21Å; I79-E82 PolarHBondContact O-N 2.87Å; I79-E82 VanDerWaalsContact O-N 3.16Å; I79-I84 HydrophobicContact CG2-CB 3.66Å; I79-I84 HydrophobicContact CG2-CD1 4.46Å; I79-I84 HydrophobicContact CG2-CG2 3.79Å; I79-I84 PolarHBondContact O-N 3.4Å
80E91.2Very high89.3Confident83 Ų8362.8 Ų62.839%0.38831%0.311SS..Hα-helixtrans-66.4-33.7-177.2-67.3-179.8147.900112.8R76 N77 E82 G83 I84R76-E80 PolarHBondContact O-N 2.69Å; R76-E80 VanDerWaalsContact O-N 3.1Å; N77-E80 PolarHBondContact O-N 3.07Å; E80-E82 PolarHBondContact O-N 2.95Å; E80-G83 PolarHBondContact O-N 2.96Å; E80-I84 WeakPolarHBondContact CA-O 2.86Å
81K90.6Very high88.7Confident153 Ų15362.3 Ų62.367%0.66531%0.308SS*.THydrogen-bonded Turntrans-59.2-27.9174.1-77.3165.9-165.5162.70113.5N77 D78 I79 G83N77-K81 WeakPolarHBondContact O-CB 3.37Å; N77-K81 WeakPolarHBondContact O-CD 3.39Å; N77-K81 WeakPolarHBondContact O-CG 3.49Å; N77-K81 PolarHBondContact O-N 3.31Å; D78-K81 IonicContact OD1-NZ 3.3Å; D78-K81 PolarHBondContact OD1-NZ 3.46Å; D78-K81 VanDerWaalsContact OD1-NZ 3.09Å; I79-K81 VanDerWaalsContact C-N 3.34Å; I79-K81 PolarHBondContact O-N 3.21Å; K81-G83 PolarHBondContact O-N 3.43Å
82E86.8Confident87.7Confident89 Ų8965 Ų6542%0.41631%0.311SS..THydrogen-bonded Turntrans-88.18.5178.3-64.4-76151.900112S51 K55 I79 E80 I84S51-E82 WeakPolarHBondContact OG-CG 3.41Å; K55-E82 WeakPolarHBondContact CE-OE2 3.21Å; K55-E82 IonicContact NZ-OE1 2.83Å; K55-E82 IonicContact NZ-OE2 3.69Å; K55-E82 PolarHBondContact NZ-OE2 2.81Å; I79-E82 PolarHBondContact O-N 2.87Å; I79-E82 VanDerWaalsContact O-N 3.16Å; E80-E82 PolarHBondContact O-N 2.95Å; E82-I84 HydrophobicContact CB-CG1 4.41Å
83G88.7Confident86.2Confident56 Ų5663.9 Ų63.958%0.57731%0.311SS*.THydrogen-bonded Turntrans79.215.5178.500000114.2E80 K81E80-G83 PolarHBondContact O-N 2.96Å; K81-G83 PolarHBondContact O-N 3.43Å
84I93.3Very high84.4Confident8 Ų869.4 Ų69.44%0.04134%0.337CS..PPolyproline II helixtrans-95.9124.9179.4-49.8-179.3000108.8L54 M61 L64 I79 E80 E82 Y86L54-I84 HydrophobicContact CD1-CD1 4.31Å; M61-I84 HydrophobicContact CB-CD1 4.23Å; M61-I84 HydrophobicContact CG-CD1 4.39Å; M61-I84 HydrophobicContact CG-CG2 4.03Å; M61-I84 WeakPolarHBondContact O-CG1 3.34Å; M61-I84 HydrophobicContact SD-CD1 4.43Å; M61-I84 HydrophobicContact SD-CG2 4.44Å; L64-I84 HydrophobicContact CB-CG2 4.03Å; I79-I84 HydrophobicContact CG2-CB 3.66Å; I79-I84 HydrophobicContact CG2-CD1 4.46Å; I79-I84 HydrophobicContact CG2-CG2 3.79Å; I79-I84 PolarHBondContact O-N 3.4Å; E80-I84 WeakPolarHBondContact CA-O 2.86Å; E82-I84 HydrophobicContact CB-CG1 4.41Å; I84-Y86 PolarHBondContact O-N 2.95Å
85K93.6Very high82.7Confident135 Ų13570.2 Ų70.259%0.58735%0.351SS*.EExtended strand (participates in β ladder)trans-68.6125.5174.3-171.1175.8-179.1-179.40109.6G62 L63 L64G62-K85 VanDerWaalsContact O-CB 3.25Å; G62-K85 WeakPolarHBondContact O-CB 3.41Å; G62-K85 PolarHBondContact O-N 3.02Å; L63-K85 CarbonylContact C-O 3.57Å; L63-K85 WeakPolarHBondContact CA-O 3.15Å; L63-K85 HydrophobicContact CD1-CB 4.27Å; L63-K85 HydrophobicContact CD1-CG 4.35Å; L64-K85 PolarHBondContact N-O 3.03Å
86Y94.6Very high81.5Confident34 Ų3472.3 Ų72.313%0.13336%0.358CS..EExtended strand (participates in β ladder)trans-98.8133.1176.8175.7-93000110.8L64 D66 Y74 R76 I84 K88L64-Y86 HydrophobicContact CD2-CD2 4.31Å; D66-Y86 HydrophobicContact CB-CE2 3.69Å; D66-Y86 WeakPolarHBondContact CB-OH 3.32Å; D66-Y86 PolarHBondContact OD2-OH 3.45Å; Y74-Y86 HydrophobicContact CE2-CE2 4.16Å; Y74-Y86 WeakPolarHBondContact OH-CE2 3.47Å; R76-Y86 HydrophobicContact CB-CD1 3.72Å; R76-Y86 HydrophobicContact CB-CD2 4.33Å; R76-Y86 HydrophobicContact CB-CE1 3.86Å; R76-Y86 HydrophobicContact CB-CE2 4.47Å; R76-Y86 HydrophobicContact CB-CG 3.95Å; I84-Y86 PolarHBondContact O-N 2.95Å; Y86-K88 HydrophobicContact CE1-CB 4.04Å
87L92.9Very high81Confident49 Ų4967.3 Ų67.326%0.25734%0.344SS..EExtended strand (participates in β ladder)trans-138.5131.4173.2-168.1137000111.5L63 L64 V65 D66 L89 L109L63-L87 HydrophobicContact CD1-CB 4.29Å; L64-L87 PolarHBondContact O-N 3.13Å; V65-L87 CarbonylContact C-O 3.52Å; V65-L87 WeakPolarHBondContact CA-O 3.48Å; D66-L87 PolarHBondContact N-O 2.82Å; L87-L89 HydrophobicContact CD2-CD1 4.32Å; L87-L89 HydrophobicContact CD2-CD2 3.6Å; L87-L89 HydrophobicContact CD2-CG 3.53Å; L87-L109 HydrophobicContact CB-CD1 4.42Å; L87-L109 HydrophobicContact CD1-CD1 3.25Å; L87-L109 HydrophobicContact CD2-CD1 3.38Å; L87-L109 HydrophobicContact CG-CD1 3.79Å
88K90.8Very high80.7Confident45 Ų4564.4 Ų64.420%0.19633%0.329CS..EExtended strand (participates in β ladder)trans-104.3118.6178.8-166171.4-172.459.10110.6D66 T68 T70 T71 Y86 Q90D66-K88 HydrophobicContact CB-CG 4.33Å; D66-K88 VanDerWaalsContact CG-NZ 3.26Å; D66-K88 CarbonylContact O-C 3.5Å; D66-K88 WeakPolarHBondContact O-CA 3.49Å; D66-K88 IonicContact OD1-NZ 2.76Å; D66-K88 PolarHBondContact OD1-NZ 2.87Å; D66-K88 IonicContact OD2-NZ 2.76Å; D66-K88 PolarHBondContact OD2-NZ 2.96Å; T68-K88 WeakPolarHBondContact O-CE 3.29Å; T68-K88 PolarHBondContact O-NZ 2.95Å; T68-K88 PolarHBondContact OG1-NZ 3.02Å; T70-K88 VanDerWaalsContact O-CE 3.25Å; T70-K88 WeakPolarHBondContact O-CE 3.47Å; T70-K88 PolarHBondContact O-NZ 3.26Å; T71-K88 HydrophobicContact CG2-CD 4.01Å; Y86-K88 HydrophobicContact CE1-CB 4.04Å; K88-Q90 HydrophobicContact CD-CG 4.16Å; K88-Q90 HydrophobicContact CG-CG 4.05Å
89L88.1Confident80.6Confident24 Ų2463.9 Ų63.913%0.12633%0.33CS..  trans-106.995.6169.6-66176.8000107.7V65 D66 L67 L87 C91 V105 F106V65-L89 HydrophobicContact CG1-CD1 3.92Å; V65-L89 HydrophobicContact CG1-CG 4.22Å; D66-L89 PolarHBondContact O-N 3.39Å; L67-L89 WeakPolarHBondContact CA-O 3.5Å; L67-L89 HydrophobicContact CD2-CB 4.02Å; L67-L89 HydrophobicContact CD2-CD1 4.46Å; L87-L89 HydrophobicContact CD2-CD1 4.32Å; L87-L89 HydrophobicContact CD2-CD2 3.6Å; L87-L89 HydrophobicContact CD2-CG 3.53Å; L89-C91 PolarHBondContact O-N 2.98Å; L89-V105 HydrophobicContact CD2-CG1 3.81Å; L89-F106 HydrophobicContact CD1-CB 3.9Å; L89-F106 HydrophobicContact CD1-CD2 3.89Å; L89-F106 HydrophobicContact CD1-CG 4.41Å
90Q76.9Confident80.5Confident124 Ų12470.8 Ų70.858%0.57936%0.36SS*.  trans-7097.6-178.5-68.9-179.1-4.600110.2K88K88-Q90 HydrophobicContact CD-CG 4.16Å; K88-Q90 HydrophobicContact CG-CG 4.05Å
91C69.6Low80.3Confident9 Ų973 Ų736%0.06137%0.37CS..PPolyproline II helixtrans-74.3134.1165.5-60.80000108.6L89 G93L89-C91 PolarHBondContact O-N 2.98Å; C91-G93 PolarHBondContact O-N 3.41Å
92K64.4Low80.2Confident162 Ų16267.5 Ų67.570%0.70435%0.349SS*.PPolyproline II helixtrans-51.9136.6174.5-68.2-176179.91800110.2
93G55Low80.5Confident14 Ų1463.3 Ų63.314%0.14433%0.33CS..SBendtrans-65.5162.3170.400000111.1C91C91-G93 PolarHBondContact O-N 3.41Å
94H52.6Low80.6Confident119 Ų11963.2 Ų63.255%0.55132%0.323SS*.SBendtrans101.737.4172.8-55.24.3000118.3E96H94-E96 PolarHBondContact O-N 3.04Å
95G53.6Low80.6Confident36 Ų3666.5 Ų66.537%0.37134%0.344SS..SBendtrans68.37.3169.600000114.6
96E65.6Low80.7Confident118 Ų11860 Ų6055%0.55132%0.316SS*.PPolyproline II helixtrans-72.4143.4172-64.1-175.1165.900110.5H94 Y169H94-E96 PolarHBondContact O-N 3.04Å; E96-Y169 PolarHBondContact O-OH 3.21Å
97C80Confident80.7Confident35 Ų3558.6 Ų58.624%0.23631%0.31CS..PPolyproline II helixtrans-74.2149.5175.2-62.60000110.3S99 F135 E172C97-S99 PolarHBondContact O-N 2.81Å; C97-F135 HydrophobicContact CB-CE2 4.21Å; C97-E172 HydrophobicContact CB-CB 4.14Å; C97-E172 HydrophobicContact CB-CG 3.8Å
98P85.6Confident80.8Confident4 Ų464.3 Ų64.33%0.02633%0.328CS..PPolyproline II helixtrans-54.2131.1174.8-25.335.1000111.6T102 F135 L136 R176P98-T102 HydrophobicContact CB-CG2 4.46Å; P98-F135 HydrophobicContact CB-CD1 3.93Å; P98-F135 HydrophobicContact CB-CE1 4.01Å; P98-F135 HydrophobicContact CG-CB 4.31Å; P98-F135 HydrophobicContact CG-CD1 3.57Å; P98-F135 HydrophobicContact CG-CE1 4.09Å; P98-F135 HydrophobicContact CG-CG 3.99Å; P98-L136 HydrophobicContact CB-CD2 3.87Å; P98-L136 HydrophobicContact CB-CG 4.38Å; P98-L136 HydrophobicContact CG-CD2 4.19Å; P98-L136 HydrophobicContact CG-CG 4.19Å; P98-R176 PolarHBondContact O-NH1 2.76Å; P98-R176 VanDerWaalsContact O-NH1 3.09Å; P98-R176 PolarHBondContact O-NH2 3.46Å
99S87.3Confident80.9Confident45 Ų4563.7 Ų63.732%0.31533%0.327SS..PPolyproline II helixtrans-66.3160.7179.783.60000111.4C97 E101 T102 T103C97-S99 PolarHBondContact O-N 2.81Å; S99-E101 WeakPolarHBondContact CB-OE2 3.47Å; S99-E101 PolarHBondContact O-N 3.13Å; S99-E101 PolarHBondContact OG-N 3.15Å; S99-E101 PolarHBondContact OG-OE2 3.08Å; S99-T102 PolarHBondContact O-N 3.27Å; S99-T102 VanDerWaalsContact O-N 3.09Å; S99-T102 PolarHBondContact OG-N 3.22Å; S99-T102 PolarHBondContact OG-OG1 3.49Å; S99-T102 VanDerWaalsContact OG-OG1 3.05Å; S99-T103 PolarHBondContact O-N 3.48Å; S99-T103 PolarHBondContact O-OG1 3.26Å; S99-T103 VanDerWaalsContact O-OG1 3.13Å
100K88.6Confident81.2Confident144 Ų14462.6 Ų62.663%0.62632%0.321SS*.Hα-helixtrans-57.8-36.9177.8-68.7-173.5-176.9-174.40111.9T103 A104K100-T103 PolarHBondContact O-N 3.38Å; K100-A104 WeakPolarHBondContact O-CB 3.47Å; K100-A104 PolarHBondContact O-N 2.77Å
101E88.3Confident82Confident130 Ų13059.2 Ų59.261%0.60731%0.305SS*.Hα-helixtrans-66.2-43.2176.8-53.770.4-149.400111S99 T103 A104 V105S99-E101 WeakPolarHBondContact CB-OE2 3.47Å; S99-E101 PolarHBondContact O-N 3.13Å; S99-E101 PolarHBondContact OG-N 3.15Å; S99-E101 PolarHBondContact OG-OE2 3.08Å; E101-T103 VanDerWaalsContact C-N 3.34Å; E101-A104 PolarHBondContact O-N 3.42Å; E101-V105 VanDerWaalsContact O-CG2 3.3Å; E101-V105 WeakPolarHBondContact O-CG2 3.22Å; E101-V105 PolarHBondContact O-N 3.39Å
102T88.2Confident83.1Confident37 Ų3761.9 Ų61.923%0.22732%0.319CS..Hα-helixtrans-65.2-41.4178.3-55.10000110.7P98 S99 V105 F106P98-T102 HydrophobicContact CB-CG2 4.46Å; S99-T102 PolarHBondContact O-N 3.27Å; S99-T102 VanDerWaalsContact O-N 3.09Å; S99-T102 PolarHBondContact OG-N 3.22Å; S99-T102 PolarHBondContact OG-OG1 3.49Å; S99-T102 VanDerWaalsContact OG-OG1 3.05Å; T102-V105 PolarHBondContact O-N 2.85Å; T102-F106 PolarHBondContact O-N 3.28Å
103T92.5Very high84.5Confident2 Ų255.1 Ų55.11%0.01229%0.29CS..Hα-helixtrans-60.7-48.2174.1-60.20000111.4S99 K100 E101 V105 F106 I107 L136 A139 R176S99-T103 PolarHBondContact O-N 3.48Å; S99-T103 PolarHBondContact O-OG1 3.26Å; S99-T103 VanDerWaalsContact O-OG1 3.13Å; K100-T103 PolarHBondContact O-N 3.38Å; E101-T103 VanDerWaalsContact C-N 3.34Å; T103-V105 VanDerWaalsContact C-N 3.34Å; T103-V105 PolarHBondContact O-N 3.11Å; T103-F106 PolarHBondContact O-N 3.3Å; T103-I107 HydrophobicContact CG2-CD1 3.71Å; T103-I107 HydrophobicContact CG2-CG1 4.4Å; T103-I107 VanDerWaalsContact O-CG1 3.28Å; T103-I107 WeakPolarHBondContact O-CG1 3.29Å; T103-I107 PolarHBondContact O-N 3.03Å; T103-L136 HydrophobicContact CG2-CD2 4.46Å; T103-A139 HydrophobicContact CG2-CB 3.61Å; T103-R176 PolarHBondContact OG1-NH1 2.87Å
104A92.2Very high86.3Confident53 Ų5355.6 Ų55.644%0.43829%0.289SS..Hα-helixtrans-61.2-40.5178.100000112.7K100 E101 I107 R108K100-A104 WeakPolarHBondContact O-CB 3.47Å; K100-A104 PolarHBondContact O-N 2.77Å; E101-A104 PolarHBondContact O-N 3.42Å; A104-I107 PolarHBondContact O-N 3.46Å; A104-R108 WeakPolarHBondContact O-CB 3.27Å; A104-R108 PolarHBondContact O-N 3.04Å
105V93.3Very high88.2Confident77 Ų7756.5 Ų56.547%0.46729%0.293SS..Hα-helixtrans-63.8-45.5175.8170.70000111.2L89 E101 T102 T103 I107 L109L89-V105 HydrophobicContact CD2-CG1 3.81Å; E101-V105 VanDerWaalsContact O-CG2 3.3Å; E101-V105 WeakPolarHBondContact O-CG2 3.22Å; E101-V105 PolarHBondContact O-N 3.39Å; T102-V105 PolarHBondContact O-N 2.85Å; T103-V105 VanDerWaalsContact C-N 3.34Å; T103-V105 PolarHBondContact O-N 3.11Å; V105-I107 VanDerWaalsContact C-N 3.33Å; V105-I107 PolarHBondContact O-N 2.93Å; V105-L109 WeakPolarHBondContact O-CB 3.47Å; V105-L109 PolarHBondContact O-N 3.24Å
106F95Very high90Very high0 Ų062.1 Ų62.10%031%0.307CS..Hα-helixtrans-59.2-46.1175.8175.7-96000111.3F24 V65 L89 T102 T103 L109 C110 V124 L136F24-F106 HydrophobicContact CE1-CZ 4.2Å; V65-F106 HydrophobicContact CB-CE2 4.38Å; V65-F106 HydrophobicContact CG1-CD2 4.13Å; V65-F106 HydrophobicContact CG1-CE2 4.09Å; V65-F106 HydrophobicContact CG2-CE2 4.3Å; L89-F106 HydrophobicContact CD1-CB 3.9Å; L89-F106 HydrophobicContact CD1-CD2 3.89Å; L89-F106 HydrophobicContact CD1-CG 4.41Å; T102-F106 PolarHBondContact O-N 3.28Å; T103-F106 PolarHBondContact O-N 3.3Å; F106-L109 PolarHBondContact O-N 3.16Å; F106-C110 VanDerWaalsContact CZ-SG 3.53Å; F106-C110 PolarHBondContact O-N 2.64Å; F106-C110 PolarHBondContact O-SG 2.95Å; F106-C110 VanDerWaalsContact O-SG 3.38Å; F106-V124 HydrophobicContact CE2-CG1 4.19Å; F106-V124 HydrophobicContact CE2-CG2 4.13Å; F106-V124 HydrophobicContact CZ-CG1 4.48Å; F106-V124 HydrophobicContact CZ-CG2 4.08Å; F106-L136 HydrophobicContact CB-CD1 4.29Å; F106-L136 HydrophobicContact CB-CD2 4.11Å; F106-L136 HydrophobicContact CD1-CB 3.73Å; F106-L136 HydrophobicContact CD1-CD2 4.36Å; F106-L136 HydrophobicContact CD1-CG 4.45Å; F106-L136 HydrophobicContact CD2-CB 4.28Å; F106-L136 HydrophobicContact CD2-CD1 3.99Å; F106-L136 HydrophobicContact CE1-CB 3.76Å; F106-L136 VanDerWaalsContact CE1-O 3.25Å; F106-L136 WeakPolarHBondContact CE1-O 3.48Å; F106-L136 HydrophobicContact CE2-CB 4.3Å; F106-L136 HydrophobicContact CE2-CD1 4.5Å; F106-L136 HydrophobicContact CG-CB 3.99Å; F106-L136 HydrophobicContact CG-CD1 4.04Å; F106-L136 HydrophobicContact CG-CD2 4.25Å; F106-L136 HydrophobicContact CG-CG 4.33Å; F106-L136 HydrophobicContact CZ-CB 4.05Å
107I94.4Very high91.3Very high4 Ų458.8 Ų58.82%0.02129%0.293CS..Hα-helixtrans-62.4-51.1-177.6-71.3171.2000111.3T103 A104 V105 L109 C110 E111 A139 Y140 E143 K144T103-I107 HydrophobicContact CG2-CD1 3.71Å; T103-I107 HydrophobicContact CG2-CG1 4.4Å; T103-I107 VanDerWaalsContact O-CG1 3.28Å; T103-I107 WeakPolarHBondContact O-CG1 3.29Å; T103-I107 PolarHBondContact O-N 3.03Å; A104-I107 PolarHBondContact O-N 3.46Å; V105-I107 VanDerWaalsContact C-N 3.33Å; V105-I107 PolarHBondContact O-N 2.93Å; I107-L109 VanDerWaalsContact C-N 3.26Å; I107-L109 PolarHBondContact O-N 3.49Å; I107-C110 PolarHBondContact O-N 3.03Å; I107-E111 WeakPolarHBondContact O-CB 3.43Å; I107-E111 PolarHBondContact O-N 3.06Å; I107-A139 HydrophobicContact CD1-CB 4.47Å; I107-Y140 HydrophobicContact CB-CD2 4.37Å; I107-Y140 HydrophobicContact CG1-CD2 4.23Å; I107-Y140 HydrophobicContact CG2-CD2 4.18Å; I107-E143 HydrophobicContact CD1-CB 3.98Å; I107-E143 HydrophobicContact CD1-CG 4Å; I107-E143 WeakPolarHBondContact CD1-OE1 3.47Å; I107-E143 VanDerWaalsContact CD1-OE2 3.26Å; I107-E143 WeakPolarHBondContact CD1-OE2 3.48Å; I107-K144 HydrophobicContact CG2-CD 4.1Å; I107-K144 HydrophobicContact CG2-CG 3.55Å
108R94.1Very high91.7Very high169 Ų16960.9 Ų60.964%0.63831%0.307SS*.Hα-helixtrans-57.7-41.5177.9-177178.1179.31753.7111.9A104 E111 D112A104-R108 WeakPolarHBondContact O-CB 3.27Å; A104-R108 PolarHBondContact O-N 3.04Å; R108-E111 PolarHBondContact O-N 3.06Å; R108-D112 WeakPolarHBondContact O-CB 3.4Å; R108-D112 VanDerWaalsContact O-CG 3.26Å; R108-D112 PolarHBondContact O-N 2.89Å
109L94.3Very high91.7Very high32 Ų3266.6 Ų66.617%0.16834%0.342CS..Hα-helixtrans-65.4-42.1179.3173.4151.1000112.6L63 V65 L87 V105 F106 I107 F113L63-L109 HydrophobicContact CD2-CD2 3.49Å; L63-L109 VanDerWaalsContact CD2-CD2 3.49Å; V65-L109 HydrophobicContact CG2-CD2 3.96Å; L87-L109 HydrophobicContact CB-CD1 4.42Å; L87-L109 HydrophobicContact CD1-CD1 3.25Å; L87-L109 HydrophobicContact CD2-CD1 3.38Å; L87-L109 HydrophobicContact CG-CD1 3.79Å; V105-L109 WeakPolarHBondContact O-CB 3.47Å; V105-L109 PolarHBondContact O-N 3.24Å; F106-L109 PolarHBondContact O-N 3.16Å; I107-L109 VanDerWaalsContact C-N 3.26Å; I107-L109 PolarHBondContact O-N 3.49Å; L109-F113 WeakPolarHBondContact O-CB 3.27Å; L109-F113 PolarHBondContact O-N 3.34Å; L109-F113 VanDerWaalsContact O-N 3.16Å
110C94.1Very high92Very high0 Ų065.5 Ų65.50%033%0.332CS..Hα-helixtrans-69-40177-70.50000111.4F24 F106 I107 F113 I114 I122 Y140F24-C110 HydrophobicContact CE1-CB 4.26Å; F24-C110 HydrophobicContact CZ-CB 4.28Å; F106-C110 VanDerWaalsContact CZ-SG 3.53Å; F106-C110 PolarHBondContact O-N 2.64Å; F106-C110 PolarHBondContact O-SG 2.95Å; F106-C110 VanDerWaalsContact O-SG 3.38Å; I107-C110 PolarHBondContact O-N 3.03Å; C110-F113 PolarHBondContact O-N 3.24Å; C110-I114 WeakPolarHBondContact O-CB 3.45Å; C110-I114 WeakPolarHBondContact O-CD1 3.4Å; C110-I114 WeakPolarHBondContact O-CG1 3.3Å; C110-I114 PolarHBondContact O-N 3.02Å; C110-I122 HydrophobicContact CB-CD1 3.85Å; C110-Y140 HydrophobicContact CB-CD2 3.71Å; C110-Y140 HydrophobicContact CB-CE2 3.48Å; C110-Y140 VanDerWaalsContact CB-CE2 3.48Å
111E93.8Very high92.3Very high53 Ų5359.3 Ų59.325%0.24831%0.305CS..Hα-helixtrans-60-56.5175.3-178.8172.2-134.100111.2I107 R108 F113 I114 E115 Y140 K144I107-E111 WeakPolarHBondContact O-CB 3.43Å; I107-E111 PolarHBondContact O-N 3.06Å; R108-E111 PolarHBondContact O-N 3.06Å; E111-F113 PolarHBondContact O-N 2.84Å; E111-F113 VanDerWaalsContact O-N 3.1Å; E111-I114 PolarHBondContact O-N 2.81Å; E111-I114 VanDerWaalsContact O-N 3.08Å; E111-E115 WeakPolarHBondContact O-CG 3.46Å; E111-E115 PolarHBondContact O-N 2.9Å; E111-Y140 HydrophobicContact CB-CE2 4.49Å; E111-K144 VanDerWaalsContact CD-CE 3.48Å; E111-K144 WeakPolarHBondContact OE1-CD 3.31Å; E111-K144 VanDerWaalsContact OE1-CE 3.32Å; E111-K144 WeakPolarHBondContact OE1-CE 3.46Å; E111-K144 IonicContact OE1-NZ 3.09Å; E111-K144 PolarHBondContact OE1-NZ 3.39Å; E111-K144 WeakPolarHBondContact OE2-CE 3.43Å; E111-K144 IonicContact OE2-NZ 3.71Å; E111-K144 PolarHBondContact OE2-NZ 2.83Å
112D93.2Very high92.7Very high65 Ų6553.1 Ų53.135%0.34828%0.276SS..Hα-helixtrans-55.4-33.9178.1-75.8-17.6000112.4R108 K116R108-D112 WeakPolarHBondContact O-CB 3.4Å; R108-D112 VanDerWaalsContact O-CG 3.26Å; R108-D112 PolarHBondContact O-N 2.89Å; D112-K116 WeakPolarHBondContact O-CD 3.31Å; D112-K116 WeakPolarHBondContact O-CG 3.3Å
113F94.1Very high93.1Very high20 Ų2051.3 Ų51.39%0.08827%0.265CS..Hα-helixtrans-76.3-45.2178.1178.4-91.1000112.2G62 L63 L109 C110 E111 E115 K116 N117 E120 I122G62-F113 VanDerWaalsContact C-CZ 3.48Å; L63-F113 HydrophobicContact CB-CD1 4.15Å; L63-F113 HydrophobicContact CB-CD2 3.76Å; L63-F113 HydrophobicContact CB-CE1 4.03Å; L63-F113 HydrophobicContact CB-CE2 3.64Å; L63-F113 HydrophobicContact CB-CG 4.02Å; L63-F113 HydrophobicContact CB-CZ 3.8Å; L63-F113 HydrophobicContact CD2-CB 3.94Å; L63-F113 HydrophobicContact CD2-CD1 4.2Å; L63-F113 HydrophobicContact CD2-CD2 4.1Å; L63-F113 HydrophobicContact CD2-CG 3.78Å; L63-F113 HydrophobicContact CG-CD2 4.46Å; L109-F113 WeakPolarHBondContact O-CB 3.27Å; L109-F113 PolarHBondContact O-N 3.34Å; L109-F113 VanDerWaalsContact O-N 3.16Å; C110-F113 PolarHBondContact O-N 3.24Å; E111-F113 PolarHBondContact O-N 2.84Å; E111-F113 VanDerWaalsContact O-N 3.1Å; F113-E115 VanDerWaalsContact C-N 3.33Å; F113-K116 PolarHBondContact O-N 3.04Å; F113-N117 HydrophobicContact CE1-CB 4.05Å; F113-N117 HydrophobicContact CE2-CB 4.14Å; F113-N117 WeakPolarHBondContact CE2-ND2 3.19Å; F113-N117 HydrophobicContact CZ-CB 3.77Å; F113-N117 PolarHBondContact O-N 3.45Å; F113-N117 PolarHBondContact O-ND2 3.34Å; F113-E120 HydrophobicContact CE1-CB 4.25Å; F113-E120 HydrophobicContact CZ-CB 4.05Å; F113-I122 HydrophobicContact CD1-CD1 3.73Å; F113-I122 HydrophobicContact CD1-CG1 3.56Å; F113-I122 HydrophobicContact CE1-CD1 4.43Å; F113-I122 HydrophobicContact CE1-CG1 3.77Å
114I92.8Very high93.3Very high24 Ų2451.2 Ų51.212%0.12327%0.265CS..Hα-helixtrans-65.9-37.2-178.3-75165.1000111K23 F24 C110 E111 K116 N117 P118 I122 Y140K23-I114 HydrophobicContact CB-CD1 4.29Å; K23-I114 HydrophobicContact CD-CD1 4.25Å; K23-I114 HydrophobicContact CD-CG1 4.23Å; K23-I114 HydrophobicContact CD-CG2 4.42Å; K23-I114 HydrophobicContact CG-CD1 4.17Å; F24-I114 HydrophobicContact CZ-CD1 4.34Å; C110-I114 WeakPolarHBondContact O-CB 3.45Å; C110-I114 WeakPolarHBondContact O-CD1 3.4Å; C110-I114 WeakPolarHBondContact O-CG1 3.3Å; C110-I114 PolarHBondContact O-N 3.02Å; E111-I114 PolarHBondContact O-N 2.81Å; E111-I114 VanDerWaalsContact O-N 3.08Å; I114-K116 VanDerWaalsContact C-N 3.33Å; I114-K116 PolarHBondContact O-N 2.98Å; I114-N117 CarbonylContact O-C 3.58Å; I114-P118 WeakPolarHBondContact O-CA 3.47Å; I114-I122 HydrophobicContact CD1-CD1 3.89Å; I114-I122 HydrophobicContact CG1-CD1 3.88Å; I114-Y140 HydrophobicContact CD1-CE1 4.19Å; I114-Y140 VanDerWaalsContact CD1-OH 3.29Å; I114-Y140 WeakPolarHBondContact CD1-OH 3.27Å
115E91.5Very high93.4Very high138 Ų13848.7 Ų48.765%0.64524%0.244SC*.Hα-helixtrans-61.1-41.1174.6-74.3-176.6173.400112.2E111 F113E111-E115 WeakPolarHBondContact O-CG 3.46Å; E111-E115 PolarHBondContact O-N 2.9Å; F113-E115 VanDerWaalsContact C-N 3.33Å
116K92.2Very high93.3Very high154 Ų15445.3 Ų45.367%0.6722%0.223SC*.Hα-helixtrans-81.7-29.8-178.8-68.9171.2-172.9161.60113.1D112 F113 I114D112-K116 WeakPolarHBondContact O-CD 3.31Å; D112-K116 WeakPolarHBondContact O-CG 3.3Å; F113-K116 PolarHBondContact O-N 3.04Å; I114-K116 VanDerWaalsContact C-N 3.33Å; I114-K116 PolarHBondContact O-N 2.98Å
117N91.6Very high93.1Very high49 Ų4945.4 Ų45.426%0.26222%0.224SC..  trans-134.568-172.1-50.6-81.1000111F113 I114 T119 E120F113-N117 HydrophobicContact CE1-CB 4.05Å; F113-N117 HydrophobicContact CE2-CB 4.14Å; F113-N117 WeakPolarHBondContact CE2-ND2 3.19Å; F113-N117 HydrophobicContact CZ-CB 3.77Å; F113-N117 PolarHBondContact O-N 3.45Å; F113-N117 PolarHBondContact O-ND2 3.34Å; I114-N117 CarbonylContact O-C 3.58Å; N117-T119 PolarHBondContact O-N 3.36Å; N117-E120 HydrophobicContact CB-CB 4.06Å; N117-E120 HydrophobicContact CB-CG 4.04Å; N117-E120 PolarHBondContact O-N 3.31Å
118P87.8Confident92.9Very high79 Ų7945.4 Ų45.451%0.51322%0.224SC..THydrogen-bonded Turntrans-67.4-20.8-170.125.8-35.5000114.3K23 I114K23-P118 PolarHBondContact NZ-O 3.46Å; I114-P118 WeakPolarHBondContact O-CA 3.47Å
119T87.5Confident92.8Very high124 Ų12437.3 Ų37.376%0.76119%0.193SC*.THydrogen-bonded Turntrans-96.8-4.2-178.953.60000113.4N117N117-T119 PolarHBondContact O-N 3.36Å
120E93.1Very high92.7Very high22 Ų2235.9 Ų35.910%0.10319%0.186CC..SBendtrans-99.6144.5-174.8-56.7-167-170.600111.9K60 G62 F113 N117K60-E120 HydrophobicContact CB-CG 4.31Å; K60-E120 HydrophobicContact CD-CG 4.21Å; K60-E120 WeakPolarHBondContact CD-OE1 3.45Å; K60-E120 VanDerWaalsContact CE-OE1 3.27Å; K60-E120 WeakPolarHBondContact CE-OE1 3.2Å; K60-E120 HydrophobicContact CG-CG 4.29Å; K60-E120 IonicContact NZ-OE1 3.69Å; K60-E120 PolarHBondContact NZ-OE1 2.8Å; K60-E120 IonicContact NZ-OE2 3.14Å; K60-E120 WeakPolarHBondContact O-CA 3.4Å; G62-E120 WeakPolarHBondContact CA-OE2 3.42Å; G62-E120 PolarHBondContact N-OE2 3.37Å; F113-E120 HydrophobicContact CE1-CB 4.25Å; F113-E120 HydrophobicContact CZ-CB 4.05Å; N117-E120 HydrophobicContact CB-CB 4.06Å; N117-E120 HydrophobicContact CB-CG 4.04Å; N117-E120 PolarHBondContact O-N 3.31Å
121L94.6Very high92.6Very high13 Ų1336.2 Ų36.27%0.06819%0.188CC..EExtended strand (participates in β ladder)trans-81.6152176.3-67.8-177.1000112.2G22 K23 V59 K60 M61 G62G22-L121 WeakPolarHBondContact O-CD2 3.46Å; K23-L121 WeakPolarHBondContact O-CA 3.49Å; K23-L121 WeakPolarHBondContact O-CD2 3.24Å; V59-L121 HydrophobicContact CG1-CD1 3.44Å; V59-L121 VanDerWaalsContact CG1-CD1 3.44Å; V59-L121 HydrophobicContact CG1-CG 3.6Å; K60-L121 PolarHBondContact O-N 3.05Å; M61-L121 WeakPolarHBondContact CA-O 3.47Å; M61-L121 WeakPolarHBondContact CG-O 3.42Å; G62-L121 PolarHBondContact N-O 2.96Å; G62-L121 VanDerWaalsContact N-O 3.13Å
122I96.8Very high92.5Very high0 Ų034.4 Ų34.40%018%0.178CC..EExtended strand (participates in β ladder)trans-104.8113.7167-55-179.5000108.4K23 F24 L25 L63 V65 C110 F113 I114 V124K23-I122 PolarHBondContact O-N 3.38Å; F24-I122 CarbonylContact C-O 3.57Å; F24-I122 WeakPolarHBondContact CA-O 3.5Å; F24-I122 HydrophobicContact CD1-CB 4.04Å; F24-I122 HydrophobicContact CD1-CG2 4.27Å; F24-I122 HydrophobicContact CE1-CB 4.24Å; F24-I122 HydrophobicContact CE1-CD1 3.95Å; F24-I122 HydrophobicContact CE1-CG2 4.34Å; L25-I122 PolarHBondContact N-O 2.87Å; L63-I122 HydrophobicContact CB-CG1 4.44Å; L63-I122 HydrophobicContact CB-CG2 4.41Å; L63-I122 HydrophobicContact CD2-CD1 4.19Å; L63-I122 HydrophobicContact CD2-CG1 4.21Å; L63-I122 HydrophobicContact CD2-CG2 3.89Å; L63-I122 HydrophobicContact CG-CG2 4.14Å; L63-I122 CarbonylContact O-C 3.57Å; L63-I122 WeakPolarHBondContact O-CA 3.39Å; V65-I122 HydrophobicContact CG2-CG2 4.1Å; C110-I122 HydrophobicContact CB-CD1 3.85Å; F113-I122 HydrophobicContact CD1-CD1 3.73Å; F113-I122 HydrophobicContact CD1-CG1 3.56Å; F113-I122 HydrophobicContact CE1-CD1 4.43Å; F113-I122 HydrophobicContact CE1-CG1 3.77Å; I114-I122 HydrophobicContact CD1-CD1 3.89Å; I114-I122 HydrophobicContact CG1-CD1 3.88Å; I122-V124 HydrophobicContact CG2-CG2 3.94Å
123G96.2Very high92.6Very high0 Ų031.3 Ų31.30%016%0.162CC..EExtended strand (participates in β ladder)trans-77.2134.7167.700000110.5L63 L64 V65L63-G123 PolarHBondContact O-N 3.45Å; L64-G123 WeakPolarHBondContact CA-O 3.39Å; V65-G123 PolarHBondContact N-O 3.22Å
124V96.8Very high92.6Very high0 Ų030.3 Ų30.30%016%0.158CC..EExtended strand (participates in β ladder)trans-132.2127.3175.5-171.30000108.9F24 L25 P26 M27 V65 L67 F106 I122 T133 I137F24-V124 HydrophobicContact CD1-CG2 4.06Å; L25-V124 PolarHBondContact O-N 3.37Å; P26-V124 WeakPolarHBondContact CA-O 3.47Å; M27-V124 PolarHBondContact N-O 3.41Å; V65-V124 HydrophobicContact CB-CG1 4.46Å; V65-V124 HydrophobicContact CB-CG2 4.46Å; L67-V124 HydrophobicContact CD1-CG1 3.76Å; L67-V124 HydrophobicContact CG-CG1 4.26Å; F106-V124 HydrophobicContact CE2-CG1 4.19Å; F106-V124 HydrophobicContact CE2-CG2 4.13Å; F106-V124 HydrophobicContact CZ-CG1 4.48Å; F106-V124 HydrophobicContact CZ-CG2 4.08Å; I122-V124 HydrophobicContact CG2-CG2 3.94Å; V124-T133 HydrophobicContact CB-CG2 4.05Å; V124-T133 HydrophobicContact CG1-CG2 3.92Å; V124-T133 WeakPolarHBondContact O-CG2 3.45Å; V124-I137 HydrophobicContact CB-CD1 4.19Å; V124-I137 HydrophobicContact CG2-CD1 4.35Å; V124-I137 HydrophobicContact CG2-CG1 4.31Å
125H94.8Very high92.7Very high0 Ų029.2 Ų29.20%015%0.152CC..EExtended strand (participates in β ladder)trans-138.5148176.177.986.9000112.3M27 T29 V65 D66 L67 Y74M27-H125 HydrophobicContact CG-CB 3.75Å; M27-H125 VanDerWaalsContact O-CA 3.31Å; M27-H125 WeakPolarHBondContact O-CA 3.31Å; M27-H125 WeakPolarHBondContact O-CB 3.36Å; T29-H125 PolarHBondContact OG1-CE1 3.35Å; V65-H125 PolarHBondContact O-N 3.49Å; D66-H125 WeakPolarHBondContact CB-NE2 3.3Å; D66-H125 IonicContact OD1-CE1 3.47Å; D66-H125 PolarHBondContact OD1-CE1 2.96Å; D66-H125 IonicContact OD1-ND1 3.56Å; D66-H125 IonicContact OD1-NE2 2.7Å; D66-H125 IonicContact OD2-CE1 3.68Å; L67-H125 VanDerWaalsContact CB-O 3.27Å; L67-H125 WeakPolarHBondContact CB-O 3.46Å; L67-H125 WeakPolarHBondContact CG-O 3.25Å; L67-H125 PolarHBondContact N-O 2.88Å; Y74-H125 AromaticContact CE1-CE1 3.85Å; Y74-H125 AromaticContact CE1-NE2 3.83Å; Y74-H125 AromaticContact CZ-NE2 3.67Å; Y74-H125 PolarHBondContact OH-NE2 3.44Å
126C91.4Very high92.9Very high6 Ų622.6 Ų22.64%0.04112%0.121CC..  trans-111.6-148156.5650000107.4T29 L67 G129 R132 T133T29-C126 WeakPolarHBondContact CB-O 3.48Å; T29-C126 PolarHBondContact N-O 3.35Å; T29-C126 VanDerWaalsContact N-O 3.13Å; L67-C126 HydrophobicContact CB-CB 4.02Å; C126-G129 PolarHBondContact SG-N 2.91Å; C126-R132 HydrophobicContact CB-CB 3.88Å; C126-T133 PolarHBondContact N-OG1 3.03Å; C126-T133 VanDerWaalsContact N-OG1 3.1Å; C126-T133 PolarHBondContact SG-OG1 2.98Å
127T90.1Very high93.2Very high1 Ų115.3 Ų15.31%0.0069%0.089CC..SBendtrans-63.1-57174.5-27.50000111.4P7 T29 F73 R132 D203 D204P7-T127 HydrophobicContact CB-CG2 3.49Å; P7-T127 VanDerWaalsContact CB-CG2 3.49Å; P7-T127 HydrophobicContact CG-CG2 3.78Å; T29-T127 HydrophobicContact CG2-CG2 4.4Å; T29-T127 WeakPolarHBondContact CG2-O 3.34Å; T29-T127 PolarHBondContact N-O 3.01Å; F73-T127 HydrophobicContact CZ-CG2 4.33Å; T127-R132 PolarHBondContact OG1-NH2 3.38Å; T127-D203 WeakPolarHBondContact CG2-O 3.28Å; T127-D203 PolarHBondContact OG1-O 2.77Å; T127-D204 PolarHBondContact OG1-OD1 2.95Å
128H90.5Very high93.4Very high4 Ų413 Ų132%0.0198%0.077CC..SBendtrans-100.8-17.1-177.2-4994.5000113.4P8 C13 K28 F130 R160 W192P8-H128 PolarHBondContact O-NE2 2.77Å; C13-H128 PolarHBondContact SG-O 3.45Å; K28-H128 WeakPolarHBondContact CB-O 3.11Å; H128-F130 HydrophobicContact CB-CD2 3.9Å; H128-F130 HydrophobicContact CB-CE2 4.46Å; H128-F130 WeakPolarHBondContact O-CD2 3.35Å; H128-F130 VanDerWaalsContact O-CE2 3.25Å; H128-F130 WeakPolarHBondContact O-CE2 3.37Å; H128-R160 PolarHBondContact O-NH2 3.32Å; H128-W192 HydrophobicContact CB-CH2 4.18Å; H128-W192 HydrophobicContact CB-CZ3 4.18Å; H128-W192 AromaticContact CD2-CZ3 3.95Å
129G91.7Very high93.8Very high0 Ų09.2 Ų9.20%05%0.052CC..SBendtrans8227.117800000115.6M27 C126M27-G129 WeakPolarHBondContact O-CA 3.43Å; C126-G129 PolarHBondContact SG-N 2.91Å
130F92.8Very high94.2Very high1 Ų13.9 Ų3.90%0.0042%0.018CC..SBendtrans-119.5-69.8-176-68.9-90.6000113.2H128 G134 F156 R160 A161 G163 Y165 W192H128-F130 HydrophobicContact CB-CD2 3.9Å; H128-F130 HydrophobicContact CB-CE2 4.46Å; H128-F130 WeakPolarHBondContact O-CD2 3.35Å; H128-F130 VanDerWaalsContact O-CE2 3.25Å; H128-F130 WeakPolarHBondContact O-CE2 3.37Å; F130-G134 VanDerWaalsContact O-CA 3.3Å; F130-G134 WeakPolarHBondContact O-CA 2.92Å; F130-G134 PolarHBondContact O-N 2.87Å; F130-F156 WeakPolarHBondContact O-CZ 3.28Å; F130-R160 HydrophobicContact CD1-CG 3.82Å; F130-R160 HydrophobicContact CE1-CG 3.59Å; F130-R160 VanDerWaalsContact CE2-NH2 3.28Å; F130-R160 HydrophobicContact CZ-CG 4.18Å; F130-R160 VanDerWaalsContact CZ-CZ 3.5Å; F130-R160 VanDerWaalsContact CZ-NE 3.29Å; F130-A161 VanDerWaalsContact CE1-O 3.31Å; F130-A161 WeakPolarHBondContact CE1-O 3.09Å; F130-G163 WeakPolarHBondContact CD1-O 3.39Å; F130-Y165 HydrophobicContact CB-CD1 3.83Å; F130-Y165 HydrophobicContact CB-CE1 3.31Å; F130-Y165 HydrophobicContact CD1-CD1 4.24Å; F130-Y165 HydrophobicContact CD1-CE1 4.13Å; F130-Y165 AromaticContact CD2-CE1 3.87Å; F130-Y165 HydrophobicContact CD2-CE1 3.87Å; F130-Y165 HydrophobicContact CG-CD1 4.05Å; F130-Y165 AromaticContact CG-CE1 3.52Å; F130-Y165 HydrophobicContact CG-CE1 3.52Å; F130-W192 AromaticContact CD2-CH2 3.63Å; F130-W192 HydrophobicContact CD2-CH2 3.63Å; F130-W192 AromaticContact CD2-CZ2 3.88Å; F130-W192 HydrophobicContact CD2-CZ2 3.88Å; F130-W192 HydrophobicContact CE1-CZ2 4.31Å; F130-W192 AromaticContact CE2-CH2 3.42Å; F130-W192 HydrophobicContact CE2-CH2 3.42Å; F130-W192 VanDerWaalsContact CE2-CH2 3.42Å; F130-W192 AromaticContact CE2-CZ2 3.26Å; F130-W192 HydrophobicContact CE2-CZ2 3.26Å; F130-W192 HydrophobicContact CG-CH2 4.5Å; F130-W192 HydrophobicContact CZ-CH2 4.15Å; F130-W192 AromaticContact CZ-CZ2 3.52Å; F130-W192 HydrophobicContact CZ-CZ2 3.52Å
131N92.3Very high94.3Very high8 Ų82.9 Ų2.94%0.0431%0.014CC..Hα-helixtrans-72.8-66.3-168.9-56.7-61.1000113.1T133 G134 F135 Y165 K166 Y169N131-T133 VanDerWaalsContact C-N 3.29Å; N131-T133 PolarHBondContact O-N 3.24Å; N131-G134 PolarHBondContact O-N 2.93Å; N131-F135 VanDerWaalsContact O-CB 3.3Å; N131-F135 WeakPolarHBondContact O-CB 3.39Å; N131-F135 PolarHBondContact O-N 3.21Å; N131-Y165 WeakPolarHBondContact ND2-CE2 3.32Å; N131-Y165 PolarHBondContact ND2-OH 2.86Å; N131-Y165 PolarHBondContact OD1-N 3.01Å; N131-K166 HydrophobicContact CB-CD 4.39Å; N131-K166 PolarHBondContact OD1-N 3.49Å; N131-Y169 HydrophobicContact CB-CD1 4.04Å; N131-Y169 HydrophobicContact CB-CD2 4.12Å; N131-Y169 HydrophobicContact CB-CE1 4.11Å; N131-Y169 HydrophobicContact CB-CE2 4.19Å; N131-Y169 HydrophobicContact CB-CG 4.06Å
132R91.6Very high94.4Very high14 Ų143.4 Ų3.45%0.0532%0.018CC..Hα-helixtrans-57.1-42.5176.5-70.2-179.7-82-175.7-5.9112.2L67 C126 T127 L136 Y169 D204L67-R132 HydrophobicContact CD1-CB 4.12Å; L67-R132 PolarHBondContact O-NH1 3.04Å; C126-R132 HydrophobicContact CB-CB 3.88Å; T127-R132 PolarHBondContact OG1-NH2 3.38Å; R132-L136 PolarHBondContact O-N 2.69Å; R132-Y169 HydrophobicContact CG-CE1 4Å; R132-D204 IonicContact CZ-OD2 2.75Å; R132-D204 IonicContact NH1-OD2 2.75Å; R132-D204 PolarHBondContact NH1-OD2 2.83Å; R132-D204 IonicContact NH2-OD1 3.94Å; R132-D204 PolarHBondContact NH2-OD1 3.1Å; R132-D204 IonicContact NH2-OD2 2.66Å; R132-D204 PolarHBondContact NH2-OD2 3.05Å
133T94.2Very high94.2Very high0 Ų07.6 Ų7.60%04%0.037CC..Hα-helixtrans-63.4-51.4178.5-59.50000111.9P26 V124 C126 N131 F135 L136 I137 F156P26-T133 HydrophobicContact CB-CG2 3.73Å; V124-T133 HydrophobicContact CB-CG2 4.05Å; V124-T133 HydrophobicContact CG1-CG2 3.92Å; V124-T133 WeakPolarHBondContact O-CG2 3.45Å; C126-T133 PolarHBondContact N-OG1 3.03Å; C126-T133 VanDerWaalsContact N-OG1 3.1Å; C126-T133 PolarHBondContact SG-OG1 2.98Å; N131-T133 VanDerWaalsContact C-N 3.29Å; N131-T133 PolarHBondContact O-N 3.24Å; T133-F135 VanDerWaalsContact C-N 3.35Å; T133-F135 PolarHBondContact O-N 2.84Å; T133-L136 PolarHBondContact O-N 2.79Å; T133-I137 HydrophobicContact CG2-CD1 3.72Å; T133-I137 VanDerWaalsContact O-CG1 3.27Å; T133-I137 WeakPolarHBondContact O-CG1 3.37Å; T133-I137 PolarHBondContact O-N 3.02Å; T133-I137 VanDerWaalsContact O-N 3.08Å; T133-F156 HydrophobicContact CG2-CE2 4.42Å
134G95.3Very high94.1Very high0 Ų011.5 Ų11.50%05%0.054CC..Hα-helixtrans-64-40.7178.700000112.1F130 N131 L136 I137 C138 F156F130-G134 VanDerWaalsContact O-CA 3.3Å; F130-G134 WeakPolarHBondContact O-CA 2.92Å; F130-G134 PolarHBondContact O-N 2.87Å; N131-G134 PolarHBondContact O-N 2.93Å; G134-L136 PolarHBondContact O-N 2.93Å; G134-I137 PolarHBondContact O-N 3.25Å; G134-C138 VanDerWaalsContact O-CB 3.29Å; G134-C138 WeakPolarHBondContact O-CB 3.41Å; G134-C138 PolarHBondContact O-N 3.19Å; G134-C138 PolarHBondContact O-SG 2.84Å; G134-F156 VanDerWaalsContact CA-CE1 3.5Å; G134-F156 VanDerWaalsContact CA-CE2 3.41Å
135F95.1Very high93.8Very high0 Ų014.7 Ų14.70%07%0.07CC..Hα-helixtrans-55.3-53.3177.2-171.8-76.8000112.2C97 P98 N131 T133 A139 Y169 E172 L173C97-F135 HydrophobicContact CB-CE2 4.21Å; P98-F135 HydrophobicContact CB-CD1 3.93Å; P98-F135 HydrophobicContact CB-CE1 4.01Å; P98-F135 HydrophobicContact CG-CB 4.31Å; P98-F135 HydrophobicContact CG-CD1 3.57Å; P98-F135 HydrophobicContact CG-CE1 4.09Å; P98-F135 HydrophobicContact CG-CG 3.99Å; N131-F135 VanDerWaalsContact O-CB 3.3Å; N131-F135 WeakPolarHBondContact O-CB 3.39Å; N131-F135 PolarHBondContact O-N 3.21Å; T133-F135 VanDerWaalsContact C-N 3.35Å; T133-F135 PolarHBondContact O-N 2.84Å; F135-A139 WeakPolarHBondContact O-CB 3.48Å; F135-A139 PolarHBondContact O-N 3.06Å; F135-Y169 HydrophobicContact CB-CD1 4.06Å; F135-Y169 AromaticContact CD2-CD1 3.96Å; F135-Y169 HydrophobicContact CD2-CD1 3.96Å; F135-Y169 HydrophobicContact CG-CD1 4.3Å; F135-E172 HydrophobicContact CE2-CB 3.96Å; F135-E172 HydrophobicContact CE2-CG 3.71Å; F135-E172 HydrophobicContact CZ-CG 3.87Å; F135-L173 HydrophobicContact CD1-CD2 4.27Å; F135-L173 HydrophobicContact CD2-CD1 4.16Å; F135-L173 HydrophobicContact CD2-CD2 3.81Å; F135-L173 HydrophobicContact CD2-CG 3.52Å; F135-L173 HydrophobicContact CE1-CD2 4.27Å; F135-L173 HydrophobicContact CE2-CB 4.45Å; F135-L173 HydrophobicContact CE2-CD2 3.79Å; F135-L173 HydrophobicContact CE2-CG 3.61Å; F135-L173 HydrophobicContact CG-CD2 4.04Å; F135-L173 HydrophobicContact CG-CG 4.17Å; F135-L173 HydrophobicContact CZ-CD2 4.02Å; F135-L173 HydrophobicContact CZ-CG 4.34Å
136L95.8Very high93.6Very high0 Ų021.9 Ų21.90%011%0.108CC..Hα-helixtrans-69.7-37.6-177.3-70.7179000112.5L67 P98 T103 F106 R132 T133 G134 Y140L67-L136 HydrophobicContact CD1-CD1 3.77Å; L67-L136 HydrophobicContact CD2-CD1 3.5Å; L67-L136 VanDerWaalsContact CD2-CD1 3.5Å; L67-L136 HydrophobicContact CG-CD1 4.28Å; P98-L136 HydrophobicContact CB-CD2 3.87Å; P98-L136 HydrophobicContact CB-CG 4.38Å; P98-L136 HydrophobicContact CG-CD2 4.19Å; P98-L136 HydrophobicContact CG-CG 4.19Å; T103-L136 HydrophobicContact CG2-CD2 4.46Å; F106-L136 HydrophobicContact CB-CD1 4.29Å; F106-L136 HydrophobicContact CB-CD2 4.11Å; F106-L136 HydrophobicContact CD1-CB 3.73Å; F106-L136 HydrophobicContact CD1-CD2 4.36Å; F106-L136 HydrophobicContact CD1-CG 4.45Å; F106-L136 HydrophobicContact CD2-CB 4.28Å; F106-L136 HydrophobicContact CD2-CD1 3.99Å; F106-L136 HydrophobicContact CE1-CB 3.76Å; F106-L136 VanDerWaalsContact CE1-O 3.25Å; F106-L136 WeakPolarHBondContact CE1-O 3.48Å; F106-L136 HydrophobicContact CE2-CB 4.3Å; F106-L136 HydrophobicContact CE2-CD1 4.5Å; F106-L136 HydrophobicContact CG-CB 3.99Å; F106-L136 HydrophobicContact CG-CD1 4.04Å; F106-L136 HydrophobicContact CG-CD2 4.25Å; F106-L136 HydrophobicContact CG-CG 4.33Å; F106-L136 HydrophobicContact CZ-CB 4.05Å; R132-L136 PolarHBondContact O-N 2.69Å; T133-L136 PolarHBondContact O-N 2.79Å; G134-L136 PolarHBondContact O-N 2.93Å; L136-Y140 PolarHBondContact O-N 3.46Å; L136-Y140 VanDerWaalsContact O-N 3.09Å
137I96.8Very high93.7Very high0 Ų025.5 Ų25.50%012%0.121CC..Hα-helixtrans-66.8-46.5176.3-63.5165.8000110.6L20 F24 P26 V124 T133 G134 A139 Y140 L141 F156L20-I137 HydrophobicContact CD2-CG2 3.62Å; L20-I137 HydrophobicContact CG-CG2 4.5Å; F24-I137 HydrophobicContact CB-CD1 4.08Å; F24-I137 HydrophobicContact CB-CG1 4.29Å; F24-I137 HydrophobicContact CB-CG2 4.11Å; F24-I137 HydrophobicContact CD1-CG1 4.18Å; F24-I137 HydrophobicContact CD2-CG2 3.89Å; F24-I137 HydrophobicContact CG-CG1 4.21Å; F24-I137 HydrophobicContact CG-CG2 3.93Å; P26-I137 HydrophobicContact CB-CD1 4.14Å; V124-I137 HydrophobicContact CB-CD1 4.19Å; V124-I137 HydrophobicContact CG2-CD1 4.35Å; V124-I137 HydrophobicContact CG2-CG1 4.31Å; T133-I137 HydrophobicContact CG2-CD1 3.72Å; T133-I137 VanDerWaalsContact O-CG1 3.27Å; T133-I137 WeakPolarHBondContact O-CG1 3.37Å; T133-I137 PolarHBondContact O-N 3.02Å; T133-I137 VanDerWaalsContact O-N 3.08Å; G134-I137 PolarHBondContact O-N 3.25Å; I137-A139 VanDerWaalsContact C-N 3.34Å; I137-A139 PolarHBondContact O-N 3.26Å; I137-Y140 WeakPolarHBondContact O-CB 3.26Å; I137-Y140 PolarHBondContact O-N 3.46Å; I137-L141 HydrophobicContact CG2-CD1 4.3Å; I137-L141 HydrophobicContact CG2-CG 4.34Å; I137-L141 WeakPolarHBondContact O-CG 3.2Å; I137-L141 PolarHBondContact O-N 3.4Å; I137-F156 HydrophobicContact CD1-CD2 4.47Å; I137-F156 HydrophobicContact CD1-CE2 4.1Å
138C96.7Very high93.9Very high0 Ų028.2 Ų28.20%014%0.14CC..Hα-helixtrans-60.3-43.5177.5-69.10000111.7G134 Y140 L141 V142 I149 A152 L173G134-C138 VanDerWaalsContact O-CB 3.29Å; G134-C138 WeakPolarHBondContact O-CB 3.41Å; G134-C138 PolarHBondContact O-N 3.19Å; G134-C138 PolarHBondContact O-SG 2.84Å; C138-Y140 VanDerWaalsContact C-N 3.3Å; C138-Y140 PolarHBondContact O-N 3.35Å; C138-L141 PolarHBondContact O-N 3Å; C138-V142 WeakPolarHBondContact O-CG2 3.08Å; C138-V142 PolarHBondContact O-N 3.3Å; C138-I149 HydrophobicContact CB-CD1 4.44Å; C138-A152 HydrophobicContact CB-CB 4.11Å; C138-L173 HydrophobicContact CB-CD1 4.11Å; C138-L173 HydrophobicContact CB-CD2 4.37Å
139A95.9Very high94.1Very high0 Ų028.2 Ų28.20%014%0.14CC..Hα-helixtrans-58.3-41.1175.700000112.3T103 I107 F135 I137 V142 E143 Y177T103-A139 HydrophobicContact CG2-CB 3.61Å; I107-A139 HydrophobicContact CD1-CB 4.47Å; F135-A139 WeakPolarHBondContact O-CB 3.48Å; F135-A139 PolarHBondContact O-N 3.06Å; I137-A139 VanDerWaalsContact C-N 3.34Å; I137-A139 PolarHBondContact O-N 3.26Å; A139-V142 PolarHBondContact O-N 3.06Å; A139-E143 WeakPolarHBondContact O-CB 3.41Å; A139-E143 PolarHBondContact O-N 2.62Å; A139-Y177 HydrophobicContact CB-CE2 3.86Å
140Y96.6Very high94.1Very high13 Ų1332.1 Ų32.15%0.05116%0.159CC..Hα-helixtrans-63.5-45.5174.2-177.8-81.9000112.5F24 I107 C110 E111 I114 L136 I137 C138 V142 E143 K144 M145F24-Y140 AromaticContact CE2-CD1 3.42Å; F24-Y140 HydrophobicContact CE2-CD1 3.42Å; F24-Y140 VanDerWaalsContact CE2-CD1 3.42Å; F24-Y140 AromaticContact CE2-CE1 3.77Å; F24-Y140 HydrophobicContact CE2-CE1 3.77Å; F24-Y140 HydrophobicContact CE2-CG 4.09Å; F24-Y140 AromaticContact CZ-CD1 3.41Å; F24-Y140 HydrophobicContact CZ-CD1 3.41Å; F24-Y140 VanDerWaalsContact CZ-CD1 3.41Å; F24-Y140 HydrophobicContact CZ-CD2 4.15Å; F24-Y140 AromaticContact CZ-CE1 3.73Å; F24-Y140 HydrophobicContact CZ-CE1 3.73Å; F24-Y140 HydrophobicContact CZ-CE2 4.41Å; F24-Y140 AromaticContact CZ-CG 3.66Å; F24-Y140 HydrophobicContact CZ-CG 3.66Å; I107-Y140 HydrophobicContact CB-CD2 4.37Å; I107-Y140 HydrophobicContact CG1-CD2 4.23Å; I107-Y140 HydrophobicContact CG2-CD2 4.18Å; C110-Y140 HydrophobicContact CB-CD2 3.71Å; C110-Y140 HydrophobicContact CB-CE2 3.48Å; C110-Y140 VanDerWaalsContact CB-CE2 3.48Å; E111-Y140 HydrophobicContact CB-CE2 4.49Å; I114-Y140 HydrophobicContact CD1-CE1 4.19Å; I114-Y140 VanDerWaalsContact CD1-OH 3.29Å; I114-Y140 WeakPolarHBondContact CD1-OH 3.27Å; L136-Y140 PolarHBondContact O-N 3.46Å; L136-Y140 VanDerWaalsContact O-N 3.09Å; I137-Y140 WeakPolarHBondContact O-CB 3.26Å; I137-Y140 PolarHBondContact O-N 3.46Å; C138-Y140 VanDerWaalsContact C-N 3.3Å; C138-Y140 PolarHBondContact O-N 3.35Å; Y140-V142 PolarHBondContact O-N 3.18Å; Y140-E143 PolarHBondContact O-N 2.74Å; Y140-K144 HydrophobicContact CD1-CB 4.34Å; Y140-K144 HydrophobicContact CD2-CB 4.36Å; Y140-K144 HydrophobicContact CD2-CG 4.18Å; Y140-K144 HydrophobicContact CE1-CB 3.97Å; Y140-K144 HydrophobicContact CE2-CB 4.01Å; Y140-K144 HydrophobicContact CE2-CG 3.9Å; Y140-K144 WeakPolarHBondContact O-CB 3.47Å; Y140-K144 PolarHBondContact O-N 2.88Å; Y140-M145 HydrophobicContact CD1-CG 4.4Å; Y140-M145 HydrophobicContact CD1-SD 4.44Å; Y140-M145 HydrophobicContact CE1-CG 3.97Å; Y140-M145 HydrophobicContact CE1-SD 4.07Å
141L95.6Very high94Very high0 Ų034.1 Ų34.10%018%0.175CC..Hα-helixtrans-60.1-37.7179.8-65.3179.4000111.4L20 A21 F24 I137 C138 M145 D146 W147 A152L20-L141 HydrophobicContact CD2-CD1 4.05Å; L20-L141 HydrophobicContact CG-CD1 4.23Å; A21-L141 HydrophobicContact CB-CD2 3.6Å; F24-L141 HydrophobicContact CE2-CD2 4.46Å; I137-L141 HydrophobicContact CG2-CD1 4.3Å; I137-L141 HydrophobicContact CG2-CG 4.34Å; I137-L141 WeakPolarHBondContact O-CG 3.2Å; I137-L141 PolarHBondContact O-N 3.4Å; C138-L141 PolarHBondContact O-N 3Å; L141-M145 HydrophobicContact CD2-CG 4.38Å; L141-M145 HydrophobicContact CD2-SD 3.45Å; L141-M145 WeakPolarHBondContact CD2-SD 3.3Å; L141-M145 CarbonylContact O-C 3.55Å; L141-M145 WeakPolarHBondContact O-CA 3.49Å; L141-M145 WeakPolarHBondContact O-CB 3.41Å; L141-M145 PolarHBondContact O-N 3.08Å; L141-D146 PolarHBondContact O-N 3.31Å; L141-W147 HydrophobicContact CB-CB 4.21Å; L141-W147 HydrophobicContact CB-CD2 4.31Å; L141-W147 HydrophobicContact CB-CG 4.2Å; L141-W147 HydrophobicContact CD1-CD2 4.47Å; L141-W147 HydrophobicContact CD1-CE3 4.02Å; L141-W147 HydrophobicContact CD1-CZ3 4.2Å; L141-W147 WeakPolarHBondContact O-CB 3.31Å; L141-W147 PolarHBondContact O-N 2.59Å; L141-W147 VanDerWaalsContact O-N 3.12Å; L141-A152 HydrophobicContact CB-CB 4.05Å; L141-A152 HydrophobicContact CD1-CB 4.16Å
142V94.8Very high94.1Very high25 Ų2533.7 Ų33.715%0.15217%0.173CC..Hα-helixtrans-70.7-55.8175.6178.10000111.2C138 A139 Y140 K144 W147 I149 A152 Y177C138-V142 WeakPolarHBondContact O-CG2 3.08Å; C138-V142 PolarHBondContact O-N 3.3Å; A139-V142 PolarHBondContact O-N 3.06Å; Y140-V142 PolarHBondContact O-N 3.18Å; V142-K144 PolarHBondContact O-N 2.73Å; V142-W147 WeakPolarHBondContact CA-O 3.17Å; V142-I149 HydrophobicContact CG2-CB 4.26Å; V142-I149 HydrophobicContact CG2-CD1 3.95Å; V142-A152 HydrophobicContact CG2-CB 4.22Å; V142-Y177 HydrophobicContact CB-CD1 4.44Å; V142-Y177 HydrophobicContact CG1-CD1 3.85Å; V142-Y177 HydrophobicContact CG1-CG 4.1Å
143E93.9Very high94.2Very high88 Ų8833.8 Ų33.841%0.41118%0.175SC..Hα-helixtrans-73.2-24.7-171-72.1-169.7-148.100114.6I107 A139 Y140 Y177I107-E143 HydrophobicContact CD1-CB 3.98Å; I107-E143 HydrophobicContact CD1-CG 4Å; I107-E143 WeakPolarHBondContact CD1-OE1 3.47Å; I107-E143 VanDerWaalsContact CD1-OE2 3.26Å; I107-E143 WeakPolarHBondContact CD1-OE2 3.48Å; A139-E143 WeakPolarHBondContact O-CB 3.41Å; A139-E143 PolarHBondContact O-N 2.62Å; Y140-E143 PolarHBondContact O-N 2.74Å; E143-Y177 HydrophobicContact CG-CD1 4.49Å; E143-Y177 HydrophobicContact CG-CE1 3.65Å; E143-Y177 VanDerWaalsContact OE1-CE1 3.25Å; E143-Y177 WeakPolarHBondContact OE1-CE1 3.4Å; E143-Y177 VanDerWaalsContact OE1-CZ 3.27Å; E143-Y177 PolarHBondContact OE1-OH 3.48Å
144K93.6Very high94.1Very high81 Ų8136 Ų3635%0.35219%0.193SC..Hα-helixtrans-123-16-172.6-64.4-60.9-176.3170.20115.4I107 E111 Y140 V142I107-K144 HydrophobicContact CG2-CD 4.1Å; I107-K144 HydrophobicContact CG2-CG 3.55Å; E111-K144 VanDerWaalsContact CD-CE 3.48Å; E111-K144 WeakPolarHBondContact OE1-CD 3.31Å; E111-K144 VanDerWaalsContact OE1-CE 3.32Å; E111-K144 WeakPolarHBondContact OE1-CE 3.46Å; E111-K144 IonicContact OE1-NZ 3.09Å; E111-K144 PolarHBondContact OE1-NZ 3.39Å; E111-K144 WeakPolarHBondContact OE2-CE 3.43Å; E111-K144 IonicContact OE2-NZ 3.71Å; E111-K144 PolarHBondContact OE2-NZ 2.83Å; Y140-K144 HydrophobicContact CD1-CB 4.34Å; Y140-K144 HydrophobicContact CD2-CB 4.36Å; Y140-K144 HydrophobicContact CD2-CG 4.18Å; Y140-K144 HydrophobicContact CE1-CB 3.97Å; Y140-K144 HydrophobicContact CE2-CB 4.01Å; Y140-K144 HydrophobicContact CE2-CG 3.9Å; Y140-K144 WeakPolarHBondContact O-CB 3.47Å; Y140-K144 PolarHBondContact O-N 2.88Å; V142-K144 PolarHBondContact O-N 2.73Å
145M91Very high94Very high67 Ų6736.7 Ų36.733%0.3320%0.199SC..Hα-helixtrans-116.83.3179.1-57.8-171.262.700113A21 Y140 L141 W147A21-M145 HydrophobicContact CB-CE 4Å; A21-M145 HydrophobicContact CB-SD 4.04Å; Y140-M145 HydrophobicContact CD1-CG 4.4Å; Y140-M145 HydrophobicContact CD1-SD 4.44Å; Y140-M145 HydrophobicContact CE1-CG 3.97Å; Y140-M145 HydrophobicContact CE1-SD 4.07Å; L141-M145 HydrophobicContact CD2-CG 4.38Å; L141-M145 HydrophobicContact CD2-SD 3.45Å; L141-M145 WeakPolarHBondContact CD2-SD 3.3Å; L141-M145 CarbonylContact O-C 3.55Å; L141-M145 WeakPolarHBondContact O-CA 3.49Å; L141-M145 WeakPolarHBondContact O-CB 3.41Å; L141-M145 PolarHBondContact O-N 3.08Å; M145-W147 VanDerWaalsContact C-N 3.26Å; M145-W147 PolarHBondContact O-N 2.92Å
146D90.6Very high94.1Very high151 Ų15136.8 Ų36.881%0.80720%0.199SC*.  trans58.933180-56.6-50.4000113.7L141L141-D146 PolarHBondContact O-N 3.31Å
147W93.9Very high94Very high82 Ų8238.1 Ų38.131%0.31121%0.211SC..  trans-81146.3174.7-7230000110.3A21 L141 V142 M145 A151 A152 A155A21-W147 HydrophobicContact CB-CH2 4.49Å; A21-W147 HydrophobicContact CB-CZ2 4.24Å; L141-W147 HydrophobicContact CB-CB 4.21Å; L141-W147 HydrophobicContact CB-CD2 4.31Å; L141-W147 HydrophobicContact CB-CG 4.2Å; L141-W147 HydrophobicContact CD1-CD2 4.47Å; L141-W147 HydrophobicContact CD1-CE3 4.02Å; L141-W147 HydrophobicContact CD1-CZ3 4.2Å; L141-W147 WeakPolarHBondContact O-CB 3.31Å; L141-W147 PolarHBondContact O-N 2.59Å; L141-W147 VanDerWaalsContact O-N 3.12Å; V142-W147 WeakPolarHBondContact CA-O 3.17Å; M145-W147 VanDerWaalsContact C-N 3.26Å; M145-W147 PolarHBondContact O-N 2.92Å; W147-A151 HydrophobicContact CE3-CB 4.31Å; W147-A152 HydrophobicContact CB-CB 4.48Å; W147-A152 HydrophobicContact CE3-CB 4.47Å; W147-A155 HydrophobicContact CE3-CB 4.48Å; W147-A155 HydrophobicContact CH2-CB 4.19Å; W147-A155 HydrophobicContact CZ3-CB 3.49Å; W147-A155 VanDerWaalsContact CZ3-CB 3.49Å
148S93.1Very high93.8Very high59 Ų5946 Ų4641%0.41325%0.247SC..  trans-67.7152.4164.693.70000110.1E150 A151 A152S148-E150 VanDerWaalsContact C-N 3.25Å; S148-E150 WeakPolarHBondContact CB-OE2 3.16Å; S148-E150 PolarHBondContact O-N 3.45Å; S148-E150 PolarHBondContact OG-OE2 3.41Å; S148-A151 PolarHBondContact O-N 3.21Å; S148-A151 PolarHBondContact OG-N 3.29Å; S148-A152 WeakPolarHBondContact O-CB 3.38Å; S148-A152 PolarHBondContact O-N 3.04Å
149I94.6Very high93.6Very high4 Ų446.5 Ų46.52%0.02125%0.252CS..Hα-helixtrans-64.2-34-178.9-174.458.8000111.8C138 V142 A152 V153 L173 F174C138-I149 HydrophobicContact CB-CD1 4.44Å; V142-I149 HydrophobicContact CG2-CB 4.26Å; V142-I149 HydrophobicContact CG2-CD1 3.95Å; I149-A152 PolarHBondContact O-N 3.02Å; I149-V153 HydrophobicContact CD1-CG2 4.1Å; I149-V153 HydrophobicContact CG1-CG2 4.39Å; I149-V153 WeakPolarHBondContact O-CB 3.46Å; I149-V153 WeakPolarHBondContact O-CG2 3.34Å; I149-V153 PolarHBondContact O-N 2.98Å; I149-L173 HydrophobicContact CD1-CB 4.07Å; I149-L173 HydrophobicContact CD1-CD1 4.44Å; I149-L173 HydrophobicContact CD1-CD2 4.27Å; I149-L173 HydrophobicContact CD1-CG 4.5Å; I149-L173 HydrophobicContact CG1-CB 4.48Å; I149-F174 HydrophobicContact CG1-CD2 4.02Å; I149-F174 HydrophobicContact CG1-CE2 3.91Å; I149-F174 HydrophobicContact CG1-CG 4.41Å; I149-F174 HydrophobicContact CG1-CZ 4.18Å; I149-F174 HydrophobicContact CG2-CD1 3.94Å; I149-F174 HydrophobicContact CG2-CE1 3.71Å; I149-F174 HydrophobicContact CG2-CG 4.45Å; I149-F174 HydrophobicContact CG2-CZ 4.01Å
150E91.8Very high93.5Very high82 Ų8246.9 Ų46.938%0.38325%0.253SS..Hα-helixtrans-63.5-45.9175.3-52.272.6-157.500110.7S148 A154 F174S148-E150 VanDerWaalsContact C-N 3.25Å; S148-E150 WeakPolarHBondContact CB-OE2 3.16Å; S148-E150 PolarHBondContact O-N 3.45Å; S148-E150 PolarHBondContact OG-OE2 3.41Å; E150-A154 WeakPolarHBondContact O-CB 3.37Å; E150-A154 PolarHBondContact O-N 2.56Å; E150-F174 HydrophobicContact CG-CE1 4.1Å; E150-F174 HydrophobicContact CG-CZ 4.24Å
151A91.1Very high93.2Very high42 Ų4249.8 Ų49.835%0.34728%0.28SS..Hα-helixtrans-64.7-42.317800000111.4W147 S148 A155W147-A151 HydrophobicContact CE3-CB 4.31Å; S148-A151 PolarHBondContact O-N 3.21Å; S148-A151 PolarHBondContact OG-N 3.29Å; A151-A155 VanDerWaalsContact O-CB 3.25Å; A151-A155 WeakPolarHBondContact O-CB 3.31Å; A151-A155 PolarHBondContact O-N 3.19Å
152A94.3Very high92.9Very high0 Ų051.5 Ų51.50%029%0.291CS..Hα-helixtrans-62.5-48.6177.900000111.8C138 L141 V142 W147 S148 I149 A155 F156C138-A152 HydrophobicContact CB-CB 4.11Å; L141-A152 HydrophobicContact CB-CB 4.05Å; L141-A152 HydrophobicContact CD1-CB 4.16Å; V142-A152 HydrophobicContact CG2-CB 4.22Å; W147-A152 HydrophobicContact CB-CB 4.48Å; W147-A152 HydrophobicContact CE3-CB 4.47Å; S148-A152 WeakPolarHBondContact O-CB 3.38Å; S148-A152 PolarHBondContact O-N 3.04Å; I149-A152 PolarHBondContact O-N 3.02Å; A152-A155 PolarHBondContact O-N 3.14Å; A152-F156 WeakPolarHBondContact O-CB 3.46Å; A152-F156 PolarHBondContact O-N 3.22Å
153V94.6Very high92.7Very high15 Ų1550.3 Ų50.39%0.09128%0.284CS..Hα-helixtrans-65.7-42.6178.4170.40000111.4I149 F156 A157 L170 L173 F174 P184I149-V153 HydrophobicContact CD1-CG2 4.1Å; I149-V153 HydrophobicContact CG1-CG2 4.39Å; I149-V153 WeakPolarHBondContact O-CB 3.46Å; I149-V153 WeakPolarHBondContact O-CG2 3.34Å; I149-V153 PolarHBondContact O-N 2.98Å; V153-F156 PolarHBondContact O-N 3.1Å; V153-A157 WeakPolarHBondContact O-CB 3.21Å; V153-A157 PolarHBondContact O-N 3Å; V153-L170 HydrophobicContact CG1-CD2 3.73Å; V153-L170 HydrophobicContact CG2-CD2 4.24Å; V153-L173 HydrophobicContact CG2-CD1 4.18Å; V153-F174 HydrophobicContact CG2-CE2 4.1Å; V153-P184 HydrophobicContact CG1-CG 4.37Å
154A92.2Very high92.6Very high47 Ų4746.3 Ų46.339%0.38827%0.265SS..Hα-helixtrans-63.3-44177.500000111.9E150 A157 Q158E150-A154 WeakPolarHBondContact O-CB 3.37Å; E150-A154 PolarHBondContact O-N 2.56Å; A154-A157 PolarHBondContact O-N 2.82Å; A154-Q158 WeakPolarHBondContact O-CG 3.4Å; A154-Q158 PolarHBondContact O-N 2.9Å
155A93.2Very high92.4Very high15 Ų1543 Ų4312%0.12425%0.251CS..Hα-helixtrans-68.8-36.3178.300000112.4L20 W147 A151 A152 Q158 A159L20-A155 HydrophobicContact CD1-CB 3.67Å; W147-A155 HydrophobicContact CE3-CB 4.48Å; W147-A155 HydrophobicContact CH2-CB 4.19Å; W147-A155 HydrophobicContact CZ3-CB 3.49Å; W147-A155 VanDerWaalsContact CZ3-CB 3.49Å; A151-A155 VanDerWaalsContact O-CB 3.25Å; A151-A155 WeakPolarHBondContact O-CB 3.31Å; A151-A155 PolarHBondContact O-N 3.19Å; A152-A155 PolarHBondContact O-N 3.14Å; A155-Q158 PolarHBondContact O-N 2.97Å; A155-A159 WeakPolarHBondContact O-CB 3.31Å; A155-A159 PolarHBondContact O-N 3.41Å
156F96.4Very high92.1Very high1 Ų142.1 Ų42.10%0.00425%0.245CC..Hα-helixtrans-62.6-43171-176.6-98.6000111.6L20 P26 F130 T133 G134 I137 A152 V153 Q158 A159 R160 I164L20-F156 HydrophobicContact CD2-CB 4.1Å; L20-F156 HydrophobicContact CD2-CD2 3.87Å; P26-F156 HydrophobicContact CB-CE2 3.81Å; P26-F156 HydrophobicContact CB-CZ 4.38Å; P26-F156 HydrophobicContact CG-CE2 4.11Å; F130-F156 WeakPolarHBondContact O-CZ 3.28Å; T133-F156 HydrophobicContact CG2-CE2 4.42Å; G134-F156 VanDerWaalsContact CA-CE1 3.5Å; G134-F156 VanDerWaalsContact CA-CE2 3.41Å; I137-F156 HydrophobicContact CD1-CD2 4.47Å; I137-F156 HydrophobicContact CD1-CE2 4.1Å; A152-F156 WeakPolarHBondContact O-CB 3.46Å; A152-F156 PolarHBondContact O-N 3.22Å; V153-F156 PolarHBondContact O-N 3.1Å; F156-Q158 VanDerWaalsContact C-N 3.3Å; F156-Q158 PolarHBondContact O-N 3.37Å; F156-A159 PolarHBondContact O-N 3.01Å; F156-R160 HydrophobicContact CE1-CB 4.39Å; F156-R160 HydrophobicContact CE2-CB 4.25Å; F156-R160 HydrophobicContact CZ-CB 4.07Å; F156-R160 HydrophobicContact CZ-CG 4.1Å; F156-R160 WeakPolarHBondContact O-CA 3.25Å; F156-R160 PolarHBondContact O-N 3.09Å; F156-I164 HydrophobicContact CD1-CG1 4Å; F156-I164 HydrophobicContact CE1-CG1 3.99Å
157A93.1Very high91.9Very high29 Ų2936.1 Ų36.124%0.2422%0.219CC..Hα-helixtrans-62.4-36.217600000112.7V153 A154 R160 A161V153-A157 WeakPolarHBondContact O-CB 3.21Å; V153-A157 PolarHBondContact O-N 3Å; A154-A157 PolarHBondContact O-N 2.82Å; A157-R160 CarbonylContact O-C 3.51Å; A157-A161 WeakPolarHBondContact O-CA 3.44Å; A157-A161 PolarHBondContact O-N 3.41Å
158Q92.3Very high91.6Very high164 Ų16437.4 Ų37.477%0.76623%0.232SC*.Hα-helixtrans-70-45.8174.1-70.7175.218.900112.2A154 A155 F156 R160A154-Q158 WeakPolarHBondContact O-CG 3.4Å; A154-Q158 PolarHBondContact O-N 2.9Å; A155-Q158 PolarHBondContact O-N 2.97Å; F156-Q158 VanDerWaalsContact C-N 3.3Å; F156-Q158 PolarHBondContact O-N 3.37Å; Q158-R160 VanDerWaalsContact C-N 3.28Å; Q158-R160 PolarHBondContact O-N 3.31Å
159A92.4Very high91.5Very high12 Ų1234.9 Ų34.910%0.09921%0.214CC..Hα-helixtrans-68.1-29.6179.400000112.2G17 Q18 L20 A155 F156G17-A159 CarbonylContact C-O 3.53Å; G17-A159 WeakPolarHBondContact CA-O 3.25Å; Q18-A159 PolarHBondContact N-O 3.01Å; L20-A159 HydrophobicContact CB-CB 4.04Å; L20-A159 HydrophobicContact CD1-CB 4.18Å; A155-A159 WeakPolarHBondContact O-CB 3.31Å; A155-A159 PolarHBondContact O-N 3.41Å; F156-A159 PolarHBondContact O-N 3.01Å
160R93.9Very high91.2Very high7 Ų734.9 Ų34.93%0.02621%0.214CC..THydrogen-bonded Turntrans-143.971.8-174.6-171.960.2176.4168-0.5110.8P14 R16 P26 H128 F130 F156 A157 Q158 G163P14-R160 PolarHBondContact O-NH1 2.94Å; P14-R160 PolarHBondContact O-NH2 3.04Å; R16-R160 PolarHBondContact O-NH1 2.81Å; P26-R160 HydrophobicContact CB-CB 4.45Å; P26-R160 HydrophobicContact CB-CG 4.33Å; P26-R160 HydrophobicContact CG-CB 3.93Å; P26-R160 HydrophobicContact CG-CG 4.26Å; H128-R160 PolarHBondContact O-NH2 3.32Å; F130-R160 HydrophobicContact CD1-CG 3.82Å; F130-R160 HydrophobicContact CE1-CG 3.59Å; F130-R160 VanDerWaalsContact CE2-NH2 3.28Å; F130-R160 HydrophobicContact CZ-CG 4.18Å; F130-R160 VanDerWaalsContact CZ-CZ 3.5Å; F130-R160 VanDerWaalsContact CZ-NE 3.29Å; F156-R160 HydrophobicContact CE1-CB 4.39Å; F156-R160 HydrophobicContact CE2-CB 4.25Å; F156-R160 HydrophobicContact CZ-CB 4.07Å; F156-R160 HydrophobicContact CZ-CG 4.1Å; F156-R160 WeakPolarHBondContact O-CA 3.25Å; F156-R160 PolarHBondContact O-N 3.09Å; A157-R160 CarbonylContact O-C 3.51Å; Q158-R160 VanDerWaalsContact C-N 3.28Å; Q158-R160 PolarHBondContact O-N 3.31Å; R160-G163 WeakPolarHBondContact O-CA 3.46Å; R160-G163 PolarHBondContact O-N 2.82Å
161A90.1Very high91.1Very high74 Ų7436 Ų3661%0.61222%0.217SC*.THydrogen-bonded Turntrans-57.8132.5-179.100000112.5F130 A157F130-A161 VanDerWaalsContact CE1-O 3.31Å; F130-A161 WeakPolarHBondContact CE1-O 3.09Å; A157-A161 WeakPolarHBondContact O-CA 3.44Å; A157-A161 PolarHBondContact O-N 3.41Å
162P89.3Confident91Very high36 Ų3637 Ų3723%0.23421%0.214CC..THydrogen-bonded Turncis-93.97.81140.2-40.3000114.6P187 P190P162-P187 HydrophobicContact CB-CB 3.96Å; P162-P187 HydrophobicContact CB-CG 4.16Å; P162-P187 HydrophobicContact CG-CB 4.5Å; P162-P187 HydrophobicContact CG-CG 4.32Å; P162-P190 HydrophobicContact CG-CG 3.5Å
163G91.7Very high90.9Very high1 Ų137 Ų371%0.0121%0.214CC..  trans94.5-157.2-171.200000113F130 R160 Y165F130-G163 WeakPolarHBondContact CD1-O 3.39Å; R160-G163 WeakPolarHBondContact O-CA 3.46Å; R160-G163 PolarHBondContact O-N 2.82Å; G163-Y165 PolarHBondContact O-N 2.85Å
164I92.3Very high90.7Very high3 Ų336.3 Ų36.32%0.01521%0.21CC..  trans-70.7116.3176.2-58.7171.2000107.8F156 L170 L173 P187F156-I164 HydrophobicContact CD1-CG1 4Å; F156-I164 HydrophobicContact CE1-CG1 3.99Å; I164-L170 HydrophobicContact CB-CD2 3.9Å; I164-L170 HydrophobicContact CB-CG 4.12Å; I164-L170 HydrophobicContact CD1-CD2 4.28Å; I164-L170 HydrophobicContact CG2-CD2 4.15Å; I164-L170 HydrophobicContact CG2-CG 3.91Å; I164-L173 HydrophobicContact CD1-CD1 3.49Å; I164-L173 VanDerWaalsContact CD1-CD1 3.49Å; I164-P187 WeakPolarHBondContact O-CD 3.46Å; I164-P187 WeakPolarHBondContact O-CG 3.19Å
165Y87.9Confident90.6Very high11 Ų1137.8 Ų37.84%0.04322%0.217CC..  trans-107.2-8.1-173.858.4-105.7000114.1F130 N131 G163 L189 W192F130-Y165 HydrophobicContact CB-CD1 3.83Å; F130-Y165 HydrophobicContact CB-CE1 3.31Å; F130-Y165 HydrophobicContact CD1-CD1 4.24Å; F130-Y165 HydrophobicContact CD1-CE1 4.13Å; F130-Y165 AromaticContact CD2-CE1 3.87Å; F130-Y165 HydrophobicContact CD2-CE1 3.87Å; F130-Y165 HydrophobicContact CG-CD1 4.05Å; F130-Y165 AromaticContact CG-CE1 3.52Å; F130-Y165 HydrophobicContact CG-CE1 3.52Å; N131-Y165 WeakPolarHBondContact ND2-CE2 3.32Å; N131-Y165 PolarHBondContact ND2-OH 2.86Å; N131-Y165 PolarHBondContact OD1-N 3.01Å; G163-Y165 PolarHBondContact O-N 2.85Å; Y165-L189 HydrophobicContact CD2-CD2 3.38Å; Y165-L189 HydrophobicContact CE2-CD2 4.02Å; Y165-L189 HydrophobicContact CG-CD2 3.96Å; Y165-W192 AromaticContact CE1-CH2 3.79Å; Y165-W192 HydrophobicContact CE1-CH2 3.79Å; Y165-W192 HydrophobicContact CE1-CZ2 4.34Å
166K86.2Confident90.5Very high49 Ų4939.5 Ų39.521%0.21322%0.22CC..  trans-88.1114.4168.5-72.1-175.4-175.9-176.80108.9N131 D168 Y169 D203N131-K166 HydrophobicContact CB-CD 4.39Å; N131-K166 PolarHBondContact OD1-N 3.49Å; K166-D168 PolarHBondContact O-N 2.79Å; K166-Y169 HydrophobicContact CB-CD2 3.6Å; K166-Y169 HydrophobicContact CB-CE2 4.17Å; K166-Y169 HydrophobicContact CB-CG 4.49Å; K166-Y169 HydrophobicContact CD-CD2 4.13Å; K166-Y169 HydrophobicContact CD-CE2 3.8Å; K166-Y169 HydrophobicContact CG-CD2 4.5Å; K166-Y169 PolarHBondContact O-N 2.88Å; K166-Y169 VanDerWaalsContact O-N 3.11Å; K166-D203 IonicContact NZ-OD2 3.21Å; K166-D203 PolarHBondContact NZ-OD2 2.84Å
167G86.4Confident90.2Very high25 Ų2542.1 Ų42.126%0.25823%0.23SC..Hα-helixtrans-56.8-34.5-176.100000114.1Y169 L170 K171G167-Y169 VanDerWaalsContact C-N 3.25Å; G167-Y169 PolarHBondContact O-N 2.85Å; G167-L170 PolarHBondContact O-N 3.13Å; G167-L170 VanDerWaalsContact O-N 3.12Å; G167-K171 WeakPolarHBondContact O-CG 3.5Å; G167-K171 PolarHBondContact O-N 3.45Å
168D87.8Confident89.9Confident110 Ų11042.6 Ų42.659%0.58824%0.238SC*.Hα-helixtrans-63.3-32.1-179.8-52.8-34.5000112.4K166 E172K166-D168 PolarHBondContact O-N 2.79Å; D168-E172 WeakPolarHBondContact O-CB 3.48Å; D168-E172 PolarHBondContact O-N 2.96Å
169Y89.6Confident89.4Confident6 Ų640.6 Ų40.62%0.02423%0.229CC..Hα-helixtrans-71.9-37175.7-74.5-106.5000111.9E96 N131 R132 F135 K166 G167 L173E96-Y169 PolarHBondContact O-OH 3.21Å; N131-Y169 HydrophobicContact CB-CD1 4.04Å; N131-Y169 HydrophobicContact CB-CD2 4.12Å; N131-Y169 HydrophobicContact CB-CE1 4.11Å; N131-Y169 HydrophobicContact CB-CE2 4.19Å; N131-Y169 HydrophobicContact CB-CG 4.06Å; R132-Y169 HydrophobicContact CG-CE1 4Å; F135-Y169 HydrophobicContact CB-CD1 4.06Å; F135-Y169 AromaticContact CD2-CD1 3.96Å; F135-Y169 HydrophobicContact CD2-CD1 3.96Å; F135-Y169 HydrophobicContact CG-CD1 4.3Å; K166-Y169 HydrophobicContact CB-CD2 3.6Å; K166-Y169 HydrophobicContact CB-CE2 4.17Å; K166-Y169 HydrophobicContact CB-CG 4.49Å; K166-Y169 HydrophobicContact CD-CD2 4.13Å; K166-Y169 HydrophobicContact CD-CE2 3.8Å; K166-Y169 HydrophobicContact CG-CD2 4.5Å; K166-Y169 PolarHBondContact O-N 2.88Å; K166-Y169 VanDerWaalsContact O-N 3.11Å; G167-Y169 VanDerWaalsContact C-N 3.25Å; G167-Y169 PolarHBondContact O-N 2.85Å; Y169-L173 WeakPolarHBondContact O-CG 3.13Å; Y169-L173 PolarHBondContact O-N 2.76Å; Y169-L173 VanDerWaalsContact O-N 3.11Å
170L89.3Confident88.7Confident4 Ų445.9 Ų45.92%0.02125%0.251CS..Hα-helixtrans-67.3-47175.2-73171.7000110.5V153 I164 G167 E172 L173 F174 T183 P184 A186V153-L170 HydrophobicContact CG1-CD2 3.73Å; V153-L170 HydrophobicContact CG2-CD2 4.24Å; I164-L170 HydrophobicContact CB-CD2 3.9Å; I164-L170 HydrophobicContact CB-CG 4.12Å; I164-L170 HydrophobicContact CD1-CD2 4.28Å; I164-L170 HydrophobicContact CG2-CD2 4.15Å; I164-L170 HydrophobicContact CG2-CG 3.91Å; G167-L170 PolarHBondContact O-N 3.13Å; G167-L170 VanDerWaalsContact O-N 3.12Å; L170-E172 PolarHBondContact O-N 3.34Å; L170-L173 WeakPolarHBondContact O-CB 3.41Å; L170-L173 PolarHBondContact O-N 2.63Å; L170-F174 WeakPolarHBondContact O-CD2 3.45Å; L170-F174 PolarHBondContact O-N 3.45Å; L170-T183 HydrophobicContact CB-CG2 3.95Å; L170-P184 HydrophobicContact CD2-CG 4.46Å; L170-A186 HydrophobicContact CD1-CB 4.5Å
171K88.6Confident88Confident106 Ų10654.2 Ų54.246%0.46129%0.291SS..Hα-helixtrans-58.4-46.6177.1-72.2-178.3176.1-168.10112.2G167 L173 F174 C175 T183G167-K171 WeakPolarHBondContact O-CG 3.5Å; G167-K171 PolarHBondContact O-N 3.45Å; K171-L173 VanDerWaalsContact C-N 3.32Å; K171-L173 PolarHBondContact O-N 2.72Å; K171-F174 PolarHBondContact O-N 3.16Å; K171-C175 WeakPolarHBondContact O-CB 3.33Å; K171-C175 PolarHBondContact O-N 2.9Å; K171-T183 HydrophobicContact CG-CG2 4.01Å
172E90.1Very high87.6Confident61 Ų6155.1 Ų55.129%0.28529%0.285SS..Hα-helixtrans-64-37.4178.6179.666.2-167.700112C97 F135 D168 L170 R176C97-E172 HydrophobicContact CB-CB 4.14Å; C97-E172 HydrophobicContact CB-CG 3.8Å; F135-E172 HydrophobicContact CE2-CB 3.96Å; F135-E172 HydrophobicContact CE2-CG 3.71Å; F135-E172 HydrophobicContact CZ-CG 3.87Å; D168-E172 WeakPolarHBondContact O-CB 3.48Å; D168-E172 PolarHBondContact O-N 2.96Å; L170-E172 PolarHBondContact O-N 3.34Å; E172-R176 WeakPolarHBondContact O-CG 3.31Å; E172-R176 PolarHBondContact O-N 2.82Å; E172-R176 VanDerWaalsContact O-N 3.09Å; E172-R176 IonicContact OE1-CZ 3.45Å; E172-R176 IonicContact OE1-NE 3.85Å; E172-R176 PolarHBondContact OE1-NE 3.16Å; E172-R176 IonicContact OE1-NH2 3.9Å; E172-R176 PolarHBondContact OE1-NH2 3.31Å
173L91.1Very high87.3Confident0 Ų054.9 Ų54.90%028%0.283CS..Hα-helixtrans-62.5-49.2174.1-84174.3000112F135 C138 I149 V153 I164 Y169 L170 K171 R176 Y177F135-L173 HydrophobicContact CD1-CD2 4.27Å; F135-L173 HydrophobicContact CD2-CD1 4.16Å; F135-L173 HydrophobicContact CD2-CD2 3.81Å; F135-L173 HydrophobicContact CD2-CG 3.52Å; F135-L173 HydrophobicContact CE1-CD2 4.27Å; F135-L173 HydrophobicContact CE2-CB 4.45Å; F135-L173 HydrophobicContact CE2-CD2 3.79Å; F135-L173 HydrophobicContact CE2-CG 3.61Å; F135-L173 HydrophobicContact CG-CD2 4.04Å; F135-L173 HydrophobicContact CG-CG 4.17Å; F135-L173 HydrophobicContact CZ-CD2 4.02Å; F135-L173 HydrophobicContact CZ-CG 4.34Å; C138-L173 HydrophobicContact CB-CD1 4.11Å; C138-L173 HydrophobicContact CB-CD2 4.37Å; I149-L173 HydrophobicContact CD1-CB 4.07Å; I149-L173 HydrophobicContact CD1-CD1 4.44Å; I149-L173 HydrophobicContact CD1-CD2 4.27Å; I149-L173 HydrophobicContact CD1-CG 4.5Å; I149-L173 HydrophobicContact CG1-CB 4.48Å; V153-L173 HydrophobicContact CG2-CD1 4.18Å; I164-L173 HydrophobicContact CD1-CD1 3.49Å; I164-L173 VanDerWaalsContact CD1-CD1 3.49Å; Y169-L173 WeakPolarHBondContact O-CG 3.13Å; Y169-L173 PolarHBondContact O-N 2.76Å; Y169-L173 VanDerWaalsContact O-N 3.11Å; L170-L173 WeakPolarHBondContact O-CB 3.41Å; L170-L173 PolarHBondContact O-N 2.63Å; K171-L173 VanDerWaalsContact C-N 3.32Å; K171-L173 PolarHBondContact O-N 2.72Å; L173-R176 PolarHBondContact O-N 2.87Å; L173-Y177 HydrophobicContact CD2-CD2 4.13Å; L173-Y177 HydrophobicContact CD2-CE2 4.15Å; L173-Y177 WeakPolarHBondContact O-CD2 3.28Å; L173-Y177 PolarHBondContact O-N 2.89Å
174F91.6Very high86.8Confident1 Ų157.1 Ų57.10%0.00430%0.298CS..Hα-helixtrans-67.7-36.9-179.7-85.9-101.6000111.4I149 E150 V153 L170 K171 R176 Y177 G178 E179 D182 T183 P184I149-F174 HydrophobicContact CG1-CD2 4.02Å; I149-F174 HydrophobicContact CG1-CE2 3.91Å; I149-F174 HydrophobicContact CG1-CG 4.41Å; I149-F174 HydrophobicContact CG1-CZ 4.18Å; I149-F174 HydrophobicContact CG2-CD1 3.94Å; I149-F174 HydrophobicContact CG2-CE1 3.71Å; I149-F174 HydrophobicContact CG2-CG 4.45Å; I149-F174 HydrophobicContact CG2-CZ 4.01Å; E150-F174 HydrophobicContact CG-CE1 4.1Å; E150-F174 HydrophobicContact CG-CZ 4.24Å; V153-F174 HydrophobicContact CG2-CE2 4.1Å; L170-F174 WeakPolarHBondContact O-CD2 3.45Å; L170-F174 PolarHBondContact O-N 3.45Å; K171-F174 PolarHBondContact O-N 3.16Å; F174-R176 VanDerWaalsContact C-N 3.27Å; F174-R176 PolarHBondContact O-N 3.31Å; F174-Y177 PolarHBondContact O-N 2.84Å; F174-G178 CarbonylContact O-C 3.46Å; F174-G178 WeakPolarHBondContact O-CA 3.41Å; F174-G178 PolarHBondContact O-N 2.98Å; F174-E179 WeakPolarHBondContact CD1-O 3.33Å; F174-D182 HydrophobicContact CD1-CB 4.23Å; F174-D182 HydrophobicContact CE1-CB 4.13Å; F174-D182 WeakPolarHBondContact CE1-O 3.43Å; F174-T183 WeakPolarHBondContact CB-OG1 3.38Å; F174-T183 HydrophobicContact CD2-CG2 4.27Å; F174-T183 HydrophobicContact CG-CG2 4.41Å; F174-P184 HydrophobicContact CE2-CG 3.98Å; F174-P184 HydrophobicContact CZ-CG 4.12Å
175C89.7Confident86.2Confident78 Ų7862.8 Ų62.853%0.52734%0.335SS..Hα-helixtrans-61.4-33.3172.3-174.50000112.8K171K171-C175 WeakPolarHBondContact O-CB 3.33Å; K171-C175 PolarHBondContact O-N 2.9Å
176R90.2Very high85.9Confident52 Ų5264.6 Ų64.620%0.19635%0.352CS..Hα-helixtrans-82-36179-74.8-175.9-169.2-17912.2114.2P98 T103 E172 L173 F174P98-R176 PolarHBondContact O-NH1 2.76Å; P98-R176 VanDerWaalsContact O-NH1 3.09Å; P98-R176 PolarHBondContact O-NH2 3.46Å; T103-R176 PolarHBondContact OG1-NH1 2.87Å; E172-R176 WeakPolarHBondContact O-CG 3.31Å; E172-R176 PolarHBondContact O-N 2.82Å; E172-R176 VanDerWaalsContact O-N 3.09Å; E172-R176 IonicContact OE1-CZ 3.45Å; E172-R176 IonicContact OE1-NE 3.85Å; E172-R176 PolarHBondContact OE1-NE 3.16Å; E172-R176 IonicContact OE1-NH2 3.9Å; E172-R176 PolarHBondContact OE1-NH2 3.31Å; L173-R176 PolarHBondContact O-N 2.87Å; F174-R176 VanDerWaalsContact C-N 3.27Å; F174-R176 PolarHBondContact O-N 3.31Å
177Y89.8Confident85.7Confident55 Ų5564.1 Ų64.122%0.21635%0.354CS..Hα-helixtrans-129.51.5-162.4-60-65.8000114.5A139 V142 E143 L173 F174A139-Y177 HydrophobicContact CB-CE2 3.86Å; V142-Y177 HydrophobicContact CB-CD1 4.44Å; V142-Y177 HydrophobicContact CG1-CD1 3.85Å; V142-Y177 HydrophobicContact CG1-CG 4.1Å; E143-Y177 HydrophobicContact CG-CD1 4.49Å; E143-Y177 HydrophobicContact CG-CE1 3.65Å; E143-Y177 VanDerWaalsContact OE1-CE1 3.25Å; E143-Y177 WeakPolarHBondContact OE1-CE1 3.4Å; E143-Y177 VanDerWaalsContact OE1-CZ 3.27Å; E143-Y177 PolarHBondContact OE1-OH 3.48Å; L173-Y177 HydrophobicContact CD2-CD2 4.13Å; L173-Y177 HydrophobicContact CD2-CE2 4.15Å; L173-Y177 WeakPolarHBondContact O-CD2 3.28Å; L173-Y177 PolarHBondContact O-N 2.89Å; F174-Y177 PolarHBondContact O-N 2.84Å
178G87.5Confident85.2Confident39 Ų3967.2 Ų67.240%0.40238%0.377SS..SBendtrans-158.6-146.8179.700000111.7F174F174-G178 CarbonylContact O-C 3.46Å; F174-G178 WeakPolarHBondContact O-CA 3.41Å; F174-G178 PolarHBondContact O-N 2.98Å
179E81.6Confident84.6Confident122 Ų12265.8 Ų65.857%0.5737%0.369SS*.  trans-107.4136.6176.1-60.8-170.5-177.300110.7F174 E181 D182F174-E179 WeakPolarHBondContact CD1-O 3.33Å; E179-E181 PolarHBondContact O-N 2.73Å; E179-D182 PolarHBondContact O-N 3Å; E179-D182 VanDerWaalsContact O-N 3.17Å
180E78.2Confident83.6Confident123 Ų12366.7 Ų66.758%0.57538%0.375SS*.G310 helixtrans-62.5-30.7-179.1-170.8176.6175.300111.9D182 T183E180-D182 PolarHBondContact O-N 3.08Å; E180-T183 VanDerWaalsContact O-CB 3.29Å; E180-T183 WeakPolarHBondContact O-CB 3.3Å; E180-T183 PolarHBondContact O-N 3.19Å; E180-T183 PolarHBondContact O-OG1 3.34Å
181E78.6Confident82.2Confident182 Ų18270.3 Ų70.385%0.8539%0.392SS*.G310 helixtrans-64.6-28178.9-58.9-168.9176.900113E179 T183E179-E181 PolarHBondContact O-N 2.73Å; E181-T183 VanDerWaalsContact C-N 3.29Å; E181-T183 PolarHBondContact O-N 3.37Å
182D81.3Confident81.1Confident93 Ų9366.4 Ų66.450%0.49738%0.375SS..G310 helixtrans-86.92.7179.5-70.2-34.3000113.2F174 E179 E180 P184F174-D182 HydrophobicContact CD1-CB 4.23Å; F174-D182 HydrophobicContact CE1-CB 4.13Å; F174-D182 WeakPolarHBondContact CE1-O 3.43Å; E179-D182 PolarHBondContact O-N 3Å; E179-D182 VanDerWaalsContact O-N 3.17Å; E180-D182 PolarHBondContact O-N 3.08Å; D182-P184 WeakPolarHBondContact O-CD 3.38Å; D182-P184 VanDerWaalsContact O-N 3.14Å
183T84.6Confident79.7Confident31 Ų3163.9 Ų63.919%0.1936%0.364CS..PPolyproline II helixtrans-60.4118.7-179.4-54.30000110.4L170 K171 F174 E180 E181L170-T183 HydrophobicContact CB-CG2 3.95Å; K171-T183 HydrophobicContact CG-CG2 4.01Å; F174-T183 WeakPolarHBondContact CB-OG1 3.38Å; F174-T183 HydrophobicContact CD2-CG2 4.27Å; F174-T183 HydrophobicContact CG-CG2 4.41Å; E180-T183 VanDerWaalsContact O-CB 3.29Å; E180-T183 WeakPolarHBondContact O-CB 3.3Å; E180-T183 PolarHBondContact O-N 3.19Å; E180-T183 PolarHBondContact O-OG1 3.34Å; E181-T183 VanDerWaalsContact C-N 3.29Å; E181-T183 PolarHBondContact O-N 3.37Å
184P80.8Confident78.1Confident49 Ų4970.4 Ų70.432%0.31839%0.392SS..PPolyproline II helixtrans-65.5144.6178.326.5-33.3000110.1V153 L170 F174 D182 A186V153-P184 HydrophobicContact CG1-CG 4.37Å; L170-P184 HydrophobicContact CD2-CG 4.46Å; F174-P184 HydrophobicContact CE2-CG 3.98Å; F174-P184 HydrophobicContact CZ-CG 4.12Å; D182-P184 WeakPolarHBondContact O-CD 3.38Å; D182-P184 VanDerWaalsContact O-N 3.14Å; P184-A186 PolarHBondContact O-N 3.34Å
185P79.6Confident75.9Confident121 Ų12174.5 Ų74.579%0.78641%0.414SS*.PPolyproline II helixtrans-59.8139.1175.126.1-33.7000109.7
186A82.3Confident73.8Confident49 Ų4972.8 Ų72.841%0.40540%0.4SS..PPolyproline II helixtrans-54.3128.3177.300000109.7L170 P184L170-A186 HydrophobicContact CD1-CB 4.5Å; P184-A186 PolarHBondContact O-N 3.34Å
187P80.8Confident71.6Confident40 Ų4075.5 Ų75.526%0.2642%0.418SS..PPolyproline II helixtrans-62.1154.4-179.125.7-34.8000110.7P162 I164 L189P162-P187 HydrophobicContact CB-CB 3.96Å; P162-P187 HydrophobicContact CB-CG 4.16Å; P162-P187 HydrophobicContact CG-CB 4.5Å; P162-P187 HydrophobicContact CG-CG 4.32Å; I164-P187 WeakPolarHBondContact O-CD 3.46Å; I164-P187 WeakPolarHBondContact O-CG 3.19Å; P187-L189 PolarHBondContact O-N 3.18Å
188A76.1Confident69.4Low90 Ų9076.6 Ų76.674%0.74443%0.428SS*.PPolyproline II helixtrans-55.5133.717500000110.2
189L74.3Confident67.7Low80 Ų8077.6 Ų77.642%0.41944%0.438SS..PPolyproline II helixtrans-60.6129.6178.9-71.7170.9000109.6Y165 P187 C193 F194Y165-L189 HydrophobicContact CD2-CD2 3.38Å; Y165-L189 HydrophobicContact CE2-CD2 4.02Å; Y165-L189 HydrophobicContact CG-CD2 3.96Å; P187-L189 PolarHBondContact O-N 3.18Å; L189-C193 HydrophobicContact CB-CB 4.23Å; L189-C193 HydrophobicContact CD2-CB 4.45Å; L189-F194 HydrophobicContact CB-CE1 4.38Å; L189-F194 HydrophobicContact CB-CE2 4.07Å; L189-F194 HydrophobicContact CB-CZ 3.63Å; L189-F194 HydrophobicContact CD1-CE1 4.16Å; L189-F194 HydrophobicContact CD1-CZ 4.18Å
190P69.8Low66.1Low24 Ų2477.8 Ų77.816%0.15644%0.443CS..PPolyproline II helixtrans-60.7154174.4-26.137.4000112.2P162 W192 C193P162-P190 HydrophobicContact CG-CG 3.5Å; P190-W192 VanDerWaalsContact C-N 3.26Å; P190-W192 HydrophobicContact CB-CD2 4.26Å; P190-W192 HydrophobicContact CB-CG 4.22Å; P190-W192 HydrophobicContact CB-CZ2 4.11Å; P190-W192 HydrophobicContact CG-CZ2 3.9Å; P190-W192 PolarHBondContact O-N 3.21Å; P190-W192 VanDerWaalsContact O-N 3.17Å; P190-C193 VanDerWaalsContact O-CB 3.27Å; P190-C193 WeakPolarHBondContact O-CB 3.37Å; P190-C193 PolarHBondContact O-N 2.99Å
191E60.1Low64.9Low81 Ų8173.1 Ų73.138%0.37942%0.423SS..G310 helixtrans-54.8-38.7-176.8-64.2-167.1150.400113.2C193 F194 N497 Y498E191-C193 PolarHBondContact O-N 3.22Å; E191-F194 WeakPolarHBondContact O-CB 3.41Å; E191-F194 WeakPolarHBondContact O-CD2 3.2Å; E191-F194 PolarHBondContact O-N 2.7Å; E191-N497 WeakPolarHBondContact OE1-CA 3.44Å; E191-Y498 PolarHBondContact OE1-N 2.89Å
192W65.9Low64.2Low23 Ų2365.4 Ų65.49%0.08739%0.388CS..G310 helixtrans-64.2-14.2177.759.1-99.3000114.6N12 C13 H128 F130 Y165 P190 F194N12-W192 HydrophobicContact CB-CB 3.55Å; N12-W192 WeakPolarHBondContact O-CB 3.4Å; C13-W192 HydrophobicContact CB-CD2 4.04Å; C13-W192 HydrophobicContact CB-CE3 3.75Å; C13-W192 HydrophobicContact CB-CZ3 4.04Å; H128-W192 HydrophobicContact CB-CH2 4.18Å; H128-W192 HydrophobicContact CB-CZ3 4.18Å; H128-W192 AromaticContact CD2-CZ3 3.95Å; F130-W192 AromaticContact CD2-CH2 3.63Å; F130-W192 HydrophobicContact CD2-CH2 3.63Å; F130-W192 AromaticContact CD2-CZ2 3.88Å; F130-W192 HydrophobicContact CD2-CZ2 3.88Å; F130-W192 HydrophobicContact CE1-CZ2 4.31Å; F130-W192 AromaticContact CE2-CH2 3.42Å; F130-W192 HydrophobicContact CE2-CH2 3.42Å; F130-W192 VanDerWaalsContact CE2-CH2 3.42Å; F130-W192 AromaticContact CE2-CZ2 3.26Å; F130-W192 HydrophobicContact CE2-CZ2 3.26Å; F130-W192 HydrophobicContact CG-CH2 4.5Å; F130-W192 HydrophobicContact CZ-CH2 4.15Å; F130-W192 AromaticContact CZ-CZ2 3.52Å; F130-W192 HydrophobicContact CZ-CZ2 3.52Å; Y165-W192 AromaticContact CE1-CH2 3.79Å; Y165-W192 HydrophobicContact CE1-CH2 3.79Å; Y165-W192 HydrophobicContact CE1-CZ2 4.34Å; P190-W192 VanDerWaalsContact C-N 3.26Å; P190-W192 HydrophobicContact CB-CD2 4.26Å; P190-W192 HydrophobicContact CB-CG 4.22Å; P190-W192 HydrophobicContact CB-CZ2 4.11Å; P190-W192 HydrophobicContact CG-CZ2 3.9Å; P190-W192 PolarHBondContact O-N 3.21Å; P190-W192 VanDerWaalsContact O-N 3.17Å; W192-F194 PolarHBondContact O-N 2.78Å
193C59.8Low63.3Low9 Ų962.6 Ų62.66%0.06137%0.373CS..G310 helixtrans-73.2-8.6171.9-76.80000113.2R9 L189 P190 E191R9-C193 WeakPolarHBondContact CD-O 3.35Å; L189-C193 HydrophobicContact CB-CB 4.23Å; L189-C193 HydrophobicContact CD2-CB 4.45Å; P190-C193 VanDerWaalsContact O-CB 3.27Å; P190-C193 WeakPolarHBondContact O-CB 3.37Å; P190-C193 PolarHBondContact O-N 2.99Å; E191-C193 PolarHBondContact O-N 3.22Å
194F56.8Low62Low136 Ų13661.2 Ų61.260%0.59636%0.364SS*.SBendtrans-107.7-7.1-178.1-53.8-70.6000113.9L189 E191 W192L189-F194 HydrophobicContact CB-CE1 4.38Å; L189-F194 HydrophobicContact CB-CE2 4.07Å; L189-F194 HydrophobicContact CB-CZ 3.63Å; L189-F194 HydrophobicContact CD1-CE1 4.16Å; L189-F194 HydrophobicContact CD1-CZ 4.18Å; E191-F194 WeakPolarHBondContact O-CB 3.41Å; E191-F194 WeakPolarHBondContact O-CD2 3.2Å; E191-F194 PolarHBondContact O-N 2.7Å; W192-F194 PolarHBondContact O-N 2.78Å
195D45.3Very low60.7Low87 Ų8759 Ų5947%0.46535%0.35SS..SBendtrans-91-8.2-162.9-80.2-21.6000116.8N12N12-D195 PolarHBondContact ND2-OD2 2.91Å
196D45.8Very low59.8Low42 Ų4255.3 Ų55.323%0.22532%0.324CS..  trans-158.690.4-178.6-79.7-49.1000109.4P8 R9 R11P8-D196 WeakPolarHBondContact CB-O 3.38Å; R9-D196 VanDerWaalsContact CG-O 3.26Å; R9-D196 WeakPolarHBondContact CG-O 3.2Å; R9-D196 PolarHBondContact N-O 3.48Å; R11-D196 IonicContact CZ-OD2 3.5Å; R11-D196 IonicContact NH1-OD1 3.54Å; R11-D196 PolarHBondContact NH1-OD1 2.96Å; R11-D196 IonicContact NH1-OD2 3.76Å; R11-D196 PolarHBondContact NH1-OD2 2.74Å
197D45.4Very low58.6Low109 Ų10955.8 Ų55.858%0.58333%0.328SS*.  trans-11178.3178.3-157.930.5000109.9G199D197-G199 PolarHBondContact O-N 3.38Å; D197-G199 VanDerWaalsContact O-N 3.13Å
198D42.4Very low57.2Low79 Ų7958 Ų5842%0.42234%0.34SS..  trans-73.494.5168.4-81.5-27.7000108.3H3 D200 V201H3-D198 IonicContact CE1-OD2 3.41Å; H3-D198 PolarHBondContact CE1-OD2 3.09Å; H3-D198 VanDerWaalsContact CE1-OD2 3.29Å; H3-D198 IonicContact ND1-OD2 3.21Å; D198-D200 VanDerWaalsContact C-N 3.32Å; D198-D200 PolarHBondContact O-N 2.67Å; D198-V201 WeakPolarHBondContact O-CG2 3.49Å
199G51.2Low55.7Low60 Ų6056.6 Ų56.662%0.61933%0.334SS*.THydrogen-bonded Turntrans-76.735-157.800000119.2D197D197-G199 PolarHBondContact O-N 3.38Å; D197-G199 VanDerWaalsContact O-N 3.13Å
200D49.5Very low53.9Low126 Ų12661.2 Ų61.267%0.67435%0.354SS*.THydrogen-bonded Turntrans-139.216.9174.3-82.8-44000113.9D198 V208D198-D200 VanDerWaalsContact C-N 3.32Å; D198-D200 PolarHBondContact O-N 2.67Å; D200-V208 PolarHBondContact O-N 2.87Å
201V52.4Low52Low25 Ų2569.3 Ų69.315%0.15239%0.39CS..BIsolated β-bridgetrans-133.1150.8-176.2-63.80000113.9H3 P8 D198 G205 N206H3-V201 HydrophobicContact CB-CG1 3.97Å; H3-V201 VanDerWaalsContact CD2-CG1 3.47Å; H3-V201 WeakPolarHBondContact CD2-CG1 3.46Å; P8-V201 HydrophobicContact CG-CG2 3.6Å; D198-V201 WeakPolarHBondContact O-CG2 3.49Å; V201-G205 WeakPolarHBondContact CG1-O 3.41Å; V201-N206 CarbonylContact C-O 3.17Å; V201-N206 WeakPolarHBondContact CA-O 3.35Å; V201-N206 WeakPolarHBondContact CB-O 3.39Å
202D63.3Low50.7Low20 Ų2071.4 Ų71.411%0.10741%0.414CS..  trans-67.1176.6172.871.25.3000112.1D204 G205 N206D202-D204 PolarHBondContact O-N 2.91Å; D202-D204 VanDerWaalsContact OD1-C 3.29Å; D202-D204 WeakPolarHBondContact OD1-CA 3.49Å; D202-D204 WeakPolarHBondContact OD1-CB 3.46Å; D202-D204 PolarHBondContact OD1-N 3.16Å; D202-G205 PolarHBondContact O-N 2.84Å; D202-G205 PolarHBondContact OD1-N 3.18Å; D202-N206 PolarHBondContact N-O 3.3Å; D202-N206 WeakPolarHBondContact OD1-CB 3.47Å; D202-N206 PolarHBondContact OD1-N 2.97Å; D202-N206 PolarHBondContact OD1-ND2 2.94Å; D202-N206 PolarHBondContact OD2-ND2 3.1Å
203D62.6Low48.9Very low33 Ų3373.4 Ų73.418%0.17644%0.441CS..THydrogen-bonded Turntrans-54.3-23.7177.5-77.1-22.4000112.2R9 T127 K166R9-D203 IonicContact NH2-OD1 2.77Å; R9-D203 PolarHBondContact NH2-OD1 2.82Å; T127-D203 WeakPolarHBondContact CG2-O 3.28Å; T127-D203 PolarHBondContact OG1-O 2.77Å; K166-D203 IonicContact NZ-OD2 3.21Å; K166-D203 PolarHBondContact NZ-OD2 2.84Å
204D57.3Low47.6Very low2 Ų279.5 Ų79.51%0.01148%0.481CS..THydrogen-bonded Turntrans-94.30.1179.3-70.6-41.6000113.4N69 T70 R72 F73 T127 R132 D202N69-D204 PolarHBondContact N-OD2 2.57Å; T70-D204 HydrophobicContact CG2-CB 3.99Å; R72-D204 PolarHBondContact NE-O 3.24Å; R72-D204 VanDerWaalsContact NE-O 3.13Å; R72-D204 PolarHBondContact NH2-O 3.25Å; F73-D204 HydrophobicContact CZ-CB 4.26Å; F73-D204 VanDerWaalsContact CZ-O 3.29Å; F73-D204 WeakPolarHBondContact CZ-O 3.16Å; T127-D204 PolarHBondContact OG1-OD1 2.95Å; R132-D204 IonicContact CZ-OD2 2.75Å; R132-D204 IonicContact NH1-OD2 2.75Å; R132-D204 PolarHBondContact NH1-OD2 2.83Å; R132-D204 IonicContact NH2-OD1 3.94Å; R132-D204 PolarHBondContact NH2-OD1 3.1Å; R132-D204 IonicContact NH2-OD2 2.66Å; R132-D204 PolarHBondContact NH2-OD2 3.05Å; D202-D204 PolarHBondContact O-N 2.91Å; D202-D204 VanDerWaalsContact OD1-C 3.29Å; D202-D204 WeakPolarHBondContact OD1-CA 3.49Å; D202-D204 WeakPolarHBondContact OD1-CB 3.46Å; D202-D204 PolarHBondContact OD1-N 3.16Å
205G53.7Low46.5Very low2 Ų279.1 Ų79.12%0.02150%0.495CS..SBendtrans79.418.5-179.900000114.7H3 V201 D202H3-G205 WeakPolarHBondContact CB-O 3.4Å; V201-G205 WeakPolarHBondContact CG1-O 3.41Å; D202-G205 PolarHBondContact O-N 2.84Å; D202-G205 PolarHBondContact OD1-N 3.18Å
206N61Low45.5Very low44 Ų4480.5 Ų80.524%0.23551%0.512CS..  trans-86.9141.1174-54.3-53.7000110.6V201 D202 V208V201-N206 CarbonylContact C-O 3.17Å; V201-N206 WeakPolarHBondContact CA-O 3.35Å; V201-N206 WeakPolarHBondContact CB-O 3.39Å; D202-N206 PolarHBondContact N-O 3.3Å; D202-N206 WeakPolarHBondContact OD1-CB 3.47Å; D202-N206 PolarHBondContact OD1-N 2.97Å; D202-N206 PolarHBondContact OD1-ND2 2.94Å; D202-N206 PolarHBondContact OD2-ND2 3.1Å; N206-V208 PolarHBondContact O-N 2.85Å
207A56Low44.7Very low59 Ų5984.3 Ų84.349%0.48854%0.541SS..BIsolated β-bridgetrans-63.4132.7176.700000111G209A207-G209 PolarHBondContact O-N 3.21Å; A207-G209 VanDerWaalsContact O-N 3.13Å
208V52.7Low44Very low86 Ų8682.3 Ų82.352%0.52155%0.547SS..  trans-74.8102.5178.1-172.70000108.8D200 N206D200-V208 PolarHBondContact O-N 2.87Å; N206-V208 PolarHBondContact O-N 2.85Å
209G44.4Very low43.1Very low61 Ų6184.5 Ų84.563%0.62957%0.568SS**PPolyproline II helixtrans-76.2126.7179.900000112.3A207A207-G209 PolarHBondContact O-N 3.21Å; A207-G209 VanDerWaalsContact O-N 3.13Å
210Q35.7Very low42.1Very low178 Ų17886.7 Ų86.783%0.83258%0.58SS**PPolyproline II helixtrans-69127.5159.3-76.5-177.6-39.800108.7
211E30.1Very low41.1Very low193 Ų19385 Ų8590%0.90258%0.584SS**PPolyproline II helixtrans-58.7143.9164.5-73.8-170.3157.600110.8
212S33.4Very low40.3Very low126 Ų12689.8 Ų89.888%0.88162%0.615SS**PPolyproline II helixtrans-63.3127.9-16837.70000115.6
213G27.6Very low38.9Very low65 Ų6592 Ų9267%0.6764%0.642SS**  trans-136.9150.5157.600000109.7
214P32.4Very low37.7Very low136 Ų13699.5 Ų99.588%0.88367%0.674SS**  trans-73.6151-158.231-34.2000112.9
215S33.2Very low37.1Very low128 Ų128106.5 Ų106.590%0.89570%0.7SS**  trans-55133.1-173.1-45.70000114.2
216S25.3Very low36.7Very low117 Ų117113 Ų11382%0.81873%0.728SS**  trans-135.4124.8146.7690000109.7
217S30Very low35.9Very low122 Ų122119.7 Ų119.785%0.85376%0.755SS**  trans-50.3145.2178.849.20000115.5
218G28.8Very low36Very low67 Ų67118.7 Ų118.769%0.69174%0.74SS**  trans118.7126.3144.600000116.1
219S25.3Very low36.1Very low125 Ų125123.4 Ų123.487%0.87475%0.754SS**  trans81.3115.9168.369.50000117.9A221S219-A221 PolarHBondContact O-N 3.22Å
220A29.3Very low37Very low106 Ų106124.1 Ų124.188%0.87674%0.743SS**PPolyproline II helixtrans-62.2119.5172.900000110.4
221A27.7Very low38.8Very low90 Ų90118.4 Ų118.474%0.74472%0.715SS**PPolyproline II helixtrans-86.6141.6172.200000110.5S219S219-A221 PolarHBondContact O-N 3.22Å
222P35.8Very low40.8Very low125 Ų125115.4 Ų115.481%0.81270%0.704SS**PPolyproline II helixtrans-71.5141175.920.9-15.8000110.8
223G35Very low43Very low66 Ų66112.4 Ų112.468%0.6869%0.693SS**PPolyproline II helixtrans-48.1137.8-174.600000114.2R225G223-R225 PolarHBondContact O-N 3.37Å; G223-R225 VanDerWaalsContact O-N 3.09Å
224K36.9Very low45.5Very low192 Ų192109.8 Ų109.884%0.83567%0.666SS**  trans-70105.8-178.3-78.5-179.7178.2173.40110.1
225R44.1Very low48Very low148 Ų148108 Ų10856%0.55865%0.652SS**  trans-69.4148.4173.6-68179.9177.4177.5-3111.8G223 W267 D268G223-R225 PolarHBondContact O-N 3.37Å; G223-R225 VanDerWaalsContact O-N 3.09Å; R225-W267 PolarHBondContact NH1-O 3.07Å; R225-D268 PolarHBondContact NE-O 3.05Å
226K46Very low50.6Low139 Ų139102.8 Ų102.860%0.60461%0.613SS**  trans-43.1140.5-178.4-173.4173.6-176.2165.40114.1E228K226-E228 PolarHBondContact O-N 2.91Å
227K44.8Very low53.4Low184 Ų18497.6 Ų97.680%0.858%0.576SS**PPolyproline II helixtrans-71.5118.3174.9-162.2173.6-176.8178.40110
228E56.9Low55.7Low38 Ų3896 Ų9618%0.17856%0.555CS.*PPolyproline II helixtrans-60137.7179.2-70-72.2164.200111.5K226 L230 Q258 Q262 S270 G271 N321K226-E228 PolarHBondContact O-N 2.91Å; E228-L230 PolarHBondContact O-N 3.05Å; E228-Q258 VanDerWaalsContact CB-OE1 3.27Å; E228-Q262 PolarHBondContact OE1-NE2 2.93Å; E228-S270 WeakPolarHBondContact OE1-CA 3.33Å; E228-S270 VanDerWaalsContact OE1-CB 3.27Å; E228-S270 WeakPolarHBondContact OE1-CB 3.27Å; E228-G271 PolarHBondContact OE1-N 2.88Å; E228-G271 PolarHBondContact OE2-N 3.21Å; E228-N321 PolarHBondContact OE1-ND2 2.79Å; E228-N321 PolarHBondContact OE2-ND2 3.24Å
229K55.9Low57.8Low186 Ų18696.9 Ų96.981%0.80956%0.564SS**PPolyproline II helixtrans-80.5116.5-177.8-150.8178.4-173.1-178.20108.9K231K229-K231 PolarHBondContact O-N 3.41Å
230L63.4Low60.5Low76 Ų7693 Ų9340%0.39853%0.533SS..PPolyproline II helixtrans-76.5117.5-179.2179.472.1000110.9E228 L232 T249 L254E228-L230 PolarHBondContact O-N 3.05Å; L230-L232 HydrophobicContact CD2-CD2 3.63Å; L230-L232 HydrophobicContact CD2-CG 4.01Å; L230-L232 HydrophobicContact CG-CD2 4.14Å; L230-L232 HydrophobicContact CG-CG 4.25Å; L230-T249 HydrophobicContact CD1-CG2 4.32Å; L230-L254 HydrophobicContact CD1-CD2 3.24Å
231K72.3Confident63Low57 Ų5793.7 Ų93.725%0.24853%0.531CS..  trans-86.7107.4166.3-175.8179.8-179.8-179.20109K229 A234 Q247 D320 S538K229-K231 PolarHBondContact O-N 3.41Å; K231-A234 HydrophobicContact CD-CB 4.38Å; K231-Q247 PolarHBondContact O-NE2 2.68Å; K231-D320 HydrophobicContact CD-CB 4.24Å; K231-D320 IonicContact NZ-OD2 3.66Å; K231-D320 PolarHBondContact NZ-OD2 3.11Å; K231-S538 WeakPolarHBondContact CE-OG 3.35Å; K231-S538 PolarHBondContact NZ-OG 3.43Å
232L73.9Confident65.8Low130 Ų13090.2 Ų90.268%0.68150%0.501SS*.THydrogen-bonded Turntrans-78.2140.3174.6-70.5168.6000110.5L230 T249L230-L232 HydrophobicContact CD2-CD2 3.63Å; L230-L232 HydrophobicContact CD2-CG 4.01Å; L230-L232 HydrophobicContact CG-CD2 4.14Å; L230-L232 HydrophobicContact CG-CG 4.25Å; L232-T249 HydrophobicContact CD2-CG2 3.89Å
233G77.8Confident68.3Low63 Ų6393.2 Ų93.265%0.64950%0.501SS*.THydrogen-bonded Turntrans74.633.1176.100000114.1V235 Q247G233-V235 PolarHBondContact O-N 3.07Å; G233-Q247 VanDerWaalsContact N-OE1 3.1Å
234A81.7Confident70.8Confident11 Ų1191.6 Ų91.69%0.09149%0.485CS..  trans-67.3132.6175.900000110K231 F324K231-A234 HydrophobicContact CD-CB 4.38Å; A234-F324 HydrophobicContact CB-CE1 4.25Å; A234-F324 HydrophobicContact CB-CE2 4.49Å; A234-F324 HydrophobicContact CB-CZ 3.62Å; A234-F324 WeakPolarHBondContact O-CE1 3.47Å
235V84.4Confident73.5Confident99 Ų9983.7 Ų83.760%0.645%0.452SS*.  trans-90.2122.9179.8178.90000108.8G233 L237G233-V235 PolarHBondContact O-N 3.07Å; V235-L237 WeakPolarHBondContact CG1-O 3.43Å
236F87.2Confident75.9Confident17 Ų1780.4 Ų80.48%0.07545%0.449CS..SBendtrans-67.2-44.7-177.9-178.7-113.4000113V242 V245 Y304 M316 F324 I326 M350 F412F236-V242 HydrophobicContact CD1-CB 4.21Å; F236-V242 HydrophobicContact CD1-CG2 4Å; F236-V242 HydrophobicContact CE1-CB 4.42Å; F236-V242 HydrophobicContact CE1-CG2 4.24Å; F236-V245 HydrophobicContact CB-CG1 3.99Å; F236-V245 HydrophobicContact CD1-CB 4.24Å; F236-V245 HydrophobicContact CD1-CG1 3.79Å; F236-V245 HydrophobicContact CD1-CG2 4.03Å; F236-V245 HydrophobicContact CD2-CG1 3.78Å; F236-V245 HydrophobicContact CE1-CG1 4.14Å; F236-V245 HydrophobicContact CE1-CG2 3.87Å; F236-V245 HydrophobicContact CE2-CG1 4.14Å; F236-V245 HydrophobicContact CG-CB 4.47Å; F236-V245 HydrophobicContact CG-CG1 3.57Å; F236-V245 HydrophobicContact CZ-CG1 4.29Å; F236-V245 HydrophobicContact CZ-CG2 4.36Å; F236-Y304 WeakPolarHBondContact CA-OH 3.39Å; F236-Y304 HydrophobicContact CD2-CE1 4.02Å; F236-Y304 HydrophobicContact CD2-CE2 4.25Å; F236-Y304 AromaticContact CD2-CZ 3.66Å; F236-Y304 WeakPolarHBondContact CD2-OH 3.25Å; F236-Y304 HydrophobicContact CE2-CD1 4.45Å; F236-Y304 AromaticContact CE2-CE1 3.96Å; F236-Y304 HydrophobicContact CE2-CE1 3.96Å; F236-Y304 HydrophobicContact CE2-CE2 4.06Å; F236-Y304 AromaticContact CE2-CZ 3.77Å; F236-Y304 PolarHBondContact O-OH 2.81Å; F236-M316 HydrophobicContact CE2-CB 3.92Å; F236-M316 HydrophobicContact CE2-CE 4.33Å; F236-M316 HydrophobicContact CE2-CG 4.16Å; F236-M316 HydrophobicContact CZ-CE 4.19Å; F236-M316 HydrophobicContact CZ-CG 4.42Å; F236-F324 HydrophobicContact CB-CD1 3.99Å; F236-F324 HydrophobicContact CB-CE1 3.87Å; F236-F324 HydrophobicContact CB-CZ 4.33Å; F236-F324 HydrophobicContact CD2-CB 3.99Å; F236-F324 AromaticContact CD2-CD1 3.96Å; F236-F324 HydrophobicContact CD2-CD1 3.96Å; F236-F324 AromaticContact CD2-CD2 3.85Å; F236-F324 HydrophobicContact CD2-CD2 3.85Å; F236-F324 HydrophobicContact CD2-CE1 4.37Å; F236-F324 HydrophobicContact CD2-CE2 4.28Å; F236-F324 AromaticContact CD2-CG 3.66Å; F236-F324 HydrophobicContact CD2-CG 3.66Å; F236-F324 HydrophobicContact CE2-CB 4.26Å; F236-F324 HydrophobicContact CE2-CD2 4.47Å; F236-F324 HydrophobicContact CE2-CG 4.35Å; F236-F324 HydrophobicContact CG-CD1 4.4Å; F236-I326 HydrophobicContact CE2-CD1 4.07Å; F236-I326 HydrophobicContact CZ-CD1 3.98Å; F236-M350 HydrophobicContact CE1-CE 4.07Å; F236-M350 HydrophobicContact CZ-CE 3.74Å; F236-F412 HydrophobicContact CE1-CD1 4.31Å; F236-F412 HydrophobicContact CE1-CE1 4.11Å; F236-F412 HydrophobicContact CZ-CD1 4.48Å; F236-F412 AromaticContact CZ-CE1 3.88Å; F236-F412 HydrophobicContact CZ-CE1 3.88Å
237L84.9Confident78.2Confident9 Ų976.1 Ų76.15%0.04743%0.431CS..SBendtrans-144.7127.9178.5-164.467.3000109.1V235 G239 I240 V242 M350 I352 P361V235-L237 WeakPolarHBondContact CG1-O 3.43Å; L237-G239 PolarHBondContact O-N 3.3Å; L237-I240 HydrophobicContact CD2-CB 4.26Å; L237-I240 HydrophobicContact CD2-CD1 4.44Å; L237-I240 VanDerWaalsContact O-O 3.14Å; L237-V242 HydrophobicContact CB-CG2 4.33Å; L237-V242 HydrophobicContact CD2-CG2 4.13Å; L237-M350 HydrophobicContact CD1-CG 3.78Å; L237-I352 HydrophobicContact CD1-CD1 4.25Å; L237-I352 HydrophobicContact CD1-CG1 4.28Å; L237-I352 HydrophobicContact CD2-CD1 3.92Å; L237-I352 HydrophobicContact CD2-CG1 3.69Å; L237-I352 HydrophobicContact CG-CD1 3.97Å; L237-I352 HydrophobicContact CG-CG1 4.19Å; L237-P361 HydrophobicContact CD2-CB 3.97Å
238E76.8Confident80.5Confident89 Ų8968.3 Ų68.342%0.41640%0.398SS..THydrogen-bonded Turntrans-65.6134.5-176.4-172.9175.2-175.400111.4I240 V535E238-I240 PolarHBondContact O-N 3.22Å; E238-I240 VanDerWaalsContact O-N 3.11Å; E238-V535 HydrophobicContact CB-CG2 4.38Å; E238-V535 HydrophobicContact CG-CG2 3.7Å; E238-V535 WeakPolarHBondContact OE1-CG2 3.45Å
239G74.3Confident82.1Confident85 Ų8568.9 Ų68.988%0.87641%0.405SS*.THydrogen-bonded Turntrans72.2-2.7175.700000115.9L237L237-G239 PolarHBondContact O-N 3.3Å
240I81.1Confident83.6Confident44 Ų4464.8 Ų64.823%0.22640%0.395CS..  trans-137121.7-177.2-56.3-179.1000110.7L237 E238 V242 I352 P359L237-I240 HydrophobicContact CD2-CB 4.26Å; L237-I240 HydrophobicContact CD2-CD1 4.44Å; L237-I240 VanDerWaalsContact O-O 3.14Å; E238-I240 PolarHBondContact O-N 3.22Å; E238-I240 VanDerWaalsContact O-N 3.11Å; I240-V242 HydrophobicContact CG2-CG2 4.37Å; I240-V242 PolarHBondContact O-N 3.33Å; I240-I352 HydrophobicContact CD1-CD1 3.57Å; I240-I352 HydrophobicContact CD1-CG1 3.9Å; I240-I352 HydrophobicContact CD1-CG2 3.83Å; I240-I352 HydrophobicContact CG1-CD1 4.35Å; I240-P359 HydrophobicContact CD1-CB 3.66Å; I240-P359 HydrophobicContact CD1-CG 4.1Å
241S82.9Confident84.6Confident119 Ų11965.6 Ų65.683%0.83240%0.397SS*.  trans-80.7115.7167.8-177.40000110.1
242V86.6Confident85.3Confident17 Ų1767.1 Ų67.110%0.10341%0.413CS..  trans-92.3118176.6-1730000109.4F236 L237 I240 V245 P361 P411 F412F236-V242 HydrophobicContact CD1-CB 4.21Å; F236-V242 HydrophobicContact CD1-CG2 4Å; F236-V242 HydrophobicContact CE1-CB 4.42Å; F236-V242 HydrophobicContact CE1-CG2 4.24Å; L237-V242 HydrophobicContact CB-CG2 4.33Å; L237-V242 HydrophobicContact CD2-CG2 4.13Å; I240-V242 HydrophobicContact CG2-CG2 4.37Å; I240-V242 PolarHBondContact O-N 3.33Å; V242-V245 HydrophobicContact CB-CB 4.5Å; V242-V245 HydrophobicContact CB-CG2 3.86Å; V242-V245 HydrophobicContact CG1-CG2 3.69Å; V242-V245 PolarHBondContact O-N 3.36Å; V242-P361 HydrophobicContact CG2-CG 4.4Å; V242-P411 HydrophobicContact CG1-CB 3.9Å; V242-P411 VanDerWaalsContact CG1-O 3.29Å; V242-P411 WeakPolarHBondContact CG1-O 3.2Å; V242-F412 HydrophobicContact CG1-CD1 4.25Å
243K86.9Confident86.1Confident189 Ų18964.2 Ų64.282%0.82239%0.394SS*.THydrogen-bonded Turntrans-62.1140.9179-65.3-175.8-179.1179.50110.3V245 P411K243-V245 VanDerWaalsContact C-N 3.3Å; K243-V245 PolarHBondContact O-N 3.28Å; K243-P411 VanDerWaalsContact O-CB 3.27Å; K243-P411 WeakPolarHBondContact O-CB 3.31Å
244G88.6Confident86.6Confident32 Ų3261.4 Ų61.433%0.3337%0.365SS..THydrogen-bonded Turntrans798.8178.100000114.7A327G244-A327 WeakPolarHBondContact O-CB 3.17Å; G244-A327 PolarHBondContact O-N 3.43Å
245V94.1Very high87Confident26 Ų2661.9 Ų61.916%0.15837%0.371CS..EExtended strand (participates in β ladder)trans-105.4128.6172.8-176.40000109.7F236 V242 K243 F324 H325 I326 P411F236-V245 HydrophobicContact CB-CG1 3.99Å; F236-V245 HydrophobicContact CD1-CB 4.24Å; F236-V245 HydrophobicContact CD1-CG1 3.79Å; F236-V245 HydrophobicContact CD1-CG2 4.03Å; F236-V245 HydrophobicContact CD2-CG1 3.78Å; F236-V245 HydrophobicContact CE1-CG1 4.14Å; F236-V245 HydrophobicContact CE1-CG2 3.87Å; F236-V245 HydrophobicContact CE2-CG1 4.14Å; F236-V245 HydrophobicContact CG-CB 4.47Å; F236-V245 HydrophobicContact CG-CG1 3.57Å; F236-V245 HydrophobicContact CZ-CG1 4.29Å; F236-V245 HydrophobicContact CZ-CG2 4.36Å; V242-V245 HydrophobicContact CB-CB 4.5Å; V242-V245 HydrophobicContact CB-CG2 3.86Å; V242-V245 HydrophobicContact CG1-CG2 3.69Å; V242-V245 PolarHBondContact O-N 3.36Å; K243-V245 VanDerWaalsContact C-N 3.3Å; K243-V245 PolarHBondContact O-N 3.28Å; V245-F324 HydrophobicContact CG1-CB 3.98Å; V245-F324 HydrophobicContact CG1-CD1 4.21Å; V245-F324 HydrophobicContact CG1-CG 4.45Å; V245-H325 WeakPolarHBondContact CA-O 3.03Å; V245-I326 HydrophobicContact CB-CD1 4.24Å; V245-I326 HydrophobicContact CG1-CD1 3.69Å; V245-I326 HydrophobicContact CG2-CD1 3.79Å; V245-P411 HydrophobicContact CG2-CB 4.36Å
246T93.8Very high87.4Confident78 Ų7860.6 Ų60.648%0.47936%0.358SS..EExtended strand (participates in β ladder)trans-133.4134.9179.356.20000111V248 F324 H325T246-V248 PolarHBondContact O-N 3.48Å; T246-F324 CarbonylContact O-C 3.47Å; T246-F324 VanDerWaalsContact O-CA 3.29Å; T246-F324 WeakPolarHBondContact O-CA 3.5Å; T246-H325 PolarHBondContact N-O 3.14Å; T246-H325 PolarHBondContact O-N 3.34Å
247Q94.1Very high87.7Confident49 Ų4959.9 Ų59.923%0.22936%0.355CS..EExtended strand (participates in β ladder)trans-71.4130.4174.9-168.7-173.26.700109.7K231 G233 T249 F324K231-Q247 PolarHBondContact O-NE2 2.68Å; G233-Q247 VanDerWaalsContact N-OE1 3.1Å; Q247-T249 HydrophobicContact CG-CG2 4.11Å; Q247-F324 HydrophobicContact CB-CD1 4.03Å; Q247-F324 HydrophobicContact CB-CE1 4.04Å; Q247-F324 HydrophobicContact CG-CD1 4.29Å; Q247-F324 HydrophobicContact CG-CE1 4.09Å
248V92.3Very high88.1Confident20 Ų2059.8 Ų59.812%0.12135%0.354CS..EExtended strand (participates in β ladder)trans-87.7113.4173.9-175.10000108.6T246 L254 F315 V323 H325T246-V248 PolarHBondContact O-N 3.48Å; V248-L254 HydrophobicContact CG1-CB 4.22Å; V248-F315 HydrophobicContact CG2-CD1 4.25Å; V248-F315 HydrophobicContact CG2-CE1 4.3Å; V248-V323 HydrophobicContact CB-CB 4.27Å; V248-V323 HydrophobicContact CB-CG1 4.12Å; V248-V323 HydrophobicContact CG2-CG1 4.1Å; V248-V323 PolarHBondContact N-O 3.2Å; V248-H325 HydrophobicContact CG2-CB 3.82Å
249T90.5Very high88.8Confident51 Ų5161.5 Ų61.531%0.31336%0.357SS..  trans-116.2-15.2177.356.70000112.6L230 L232 Q247L230-T249 HydrophobicContact CD1-CG2 4.32Å; L232-T249 HydrophobicContact CD2-CG2 3.89Å; Q247-T249 HydrophobicContact CG-CG2 4.11Å
250T88Confident89.7Confident99 Ų9959.6 Ų59.661%0.60733%0.326SS*.  trans-75.8125.1-175-43.30000112.1K253 L254T250-K253 PolarHBondContact O-N 2.78Å; T250-L254 PolarHBondContact O-N 3.05Å
251Q84.1Confident90.4Very high94 Ų9457.6 Ų57.644%0.43932%0.315SS..THydrogen-bonded Turntrans-86.6146168.1-67.6-70.6-5.100110
252P88.2Confident90.9Very high88 Ų8852.4 Ų52.457%0.57128%0.278SS*.THydrogen-bonded Turncis-85.9-10.68.634.1-36.2000114.8L254 G255 E256P252-L254 VanDerWaalsContact C-N 3.3Å; P252-L254 PolarHBondContact O-N 2.94Å; P252-G255 PolarHBondContact O-N 2.88Å; P252-E256 WeakPolarHBondContact O-CG 3.39Å; P252-E256 PolarHBondContact O-N 2.86Å
253K89.4Confident91.2Very high69 Ų6957 Ų5730%0.330%0.298SS..Hα-helixtrans-55.9-41.2-171.1-173.161.3170.5-173.70113.2T250 E256 I257 E313T250-K253 PolarHBondContact O-N 2.78Å; K253-E256 PolarHBondContact O-N 3.09Å; K253-I257 HydrophobicContact CD-CD1 4.19Å; K253-I257 HydrophobicContact CD-CG1 4.43Å; K253-I257 HydrophobicContact CG-CD1 3.9Å; K253-I257 WeakPolarHBondContact O-CD1 3.29Å; K253-I257 VanDerWaalsContact O-CG1 3.29Å; K253-I257 WeakPolarHBondContact O-CG1 3.38Å; K253-I257 PolarHBondContact O-N 2.91Å; K253-E313 IonicContact NZ-OE1 3.61Å; K253-E313 PolarHBondContact NZ-OE1 3.36Å
254L89.6Confident91.6Very high4 Ų449 Ų492%0.02126%0.264CS..Hα-helixtrans-56.7-53.1174.817361.6000112L230 V248 T250 P252 E256 I257 Q258 V323L230-L254 HydrophobicContact CD1-CD2 3.24Å; V248-L254 HydrophobicContact CG1-CB 4.22Å; T250-L254 PolarHBondContact O-N 3.05Å; P252-L254 VanDerWaalsContact C-N 3.3Å; P252-L254 PolarHBondContact O-N 2.94Å; L254-E256 VanDerWaalsContact C-N 3.29Å; L254-E256 PolarHBondContact O-N 2.85Å; L254-I257 PolarHBondContact O-N 2.91Å; L254-Q258 HydrophobicContact CD1-CG 4.13Å; L254-Q258 WeakPolarHBondContact O-CG 3.37Å; L254-Q258 PolarHBondContact O-N 2.87Å; L254-V323 HydrophobicContact CD1-CB 3.6Å; L254-V323 HydrophobicContact CD1-CG2 3.42Å; L254-V323 VanDerWaalsContact CD1-CG2 3.42Å
255G88.9Confident91.8Very high21 Ų2147.8 Ų47.822%0.21625%0.251CS..Hα-helixtrans-64.1-34.8-179.200000112.7P252 R259P252-G255 PolarHBondContact O-N 2.88Å; G255-R259 WeakPolarHBondContact O-CB 3.37Å; G255-R259 PolarHBondContact O-N 2.92Å
256E92.6Very high91.7Very high72 Ų7252.5 Ų52.534%0.33627%0.272SS..Hα-helixtrans-62.8-46.8173.8-70.6170.9-177.100112.1P252 K253 L254 R259 M260P252-E256 WeakPolarHBondContact O-CG 3.39Å; P252-E256 PolarHBondContact O-N 2.86Å; K253-E256 PolarHBondContact O-N 3.09Å; L254-E256 VanDerWaalsContact C-N 3.29Å; L254-E256 PolarHBondContact O-N 2.85Å; E256-R259 PolarHBondContact O-N 3.41Å; E256-M260 WeakPolarHBondContact O-CB 3.5Å; E256-M260 VanDerWaalsContact O-CG 3.25Å; E256-M260 WeakPolarHBondContact O-CG 3.29Å; E256-M260 PolarHBondContact O-N 2.8Å
257I94.4Very high91.5Very high2 Ų251 Ų511%0.0126%0.257CS..Hα-helixtrans-63.9-47.4179.2-67.9160.2000110.7K253 L254 R259 M260 C261 L307 F315 V323K253-I257 HydrophobicContact CD-CD1 4.19Å; K253-I257 HydrophobicContact CD-CG1 4.43Å; K253-I257 HydrophobicContact CG-CD1 3.9Å; K253-I257 WeakPolarHBondContact O-CD1 3.29Å; K253-I257 VanDerWaalsContact O-CG1 3.29Å; K253-I257 WeakPolarHBondContact O-CG1 3.38Å; K253-I257 PolarHBondContact O-N 2.91Å; L254-I257 PolarHBondContact O-N 2.91Å; I257-R259 VanDerWaalsContact C-N 3.32Å; I257-R259 PolarHBondContact O-N 3.47Å; I257-M260 PolarHBondContact O-N 3.44Å; I257-C261 PolarHBondContact O-N 3.28Å; I257-C261 PolarHBondContact O-SG 2.71Å; I257-L307 HydrophobicContact CG2-CD2 3.86Å; I257-F315 HydrophobicContact CD1-CD1 3.56Å; I257-F315 HydrophobicContact CD1-CD2 4.06Å; I257-F315 HydrophobicContact CD1-CE1 3.44Å; I257-F315 VanDerWaalsContact CD1-CE1 3.44Å; I257-F315 HydrophobicContact CD1-CE2 3.96Å; I257-F315 HydrophobicContact CD1-CG 3.87Å; I257-F315 HydrophobicContact CD1-CZ 3.66Å; I257-F315 HydrophobicContact CG1-CD2 4.21Å; I257-F315 HydrophobicContact CG1-CE2 4.2Å; I257-F315 HydrophobicContact CG1-CG 4.37Å; I257-F315 HydrophobicContact CG1-CZ 4.36Å; I257-F315 HydrophobicContact CG2-CB 4.13Å; I257-F315 HydrophobicContact CG2-CD2 4.45Å; I257-F315 HydrophobicContact CG2-CG 4.22Å; I257-V323 HydrophobicContact CB-CG1 4.36Å; I257-V323 HydrophobicContact CD1-CG1 4.07Å; I257-V323 HydrophobicContact CG2-CG1 3.7Å; I257-V323 HydrophobicContact CG2-CG2 4.17Å
258Q92.8Very high90.9Very high7 Ų753.4 Ų53.43%0.03327%0.272CS..Hα-helixtrans-57.2-47.9177.1-72171.2-36.300110.6E228 L254 M260 C261 Q262 N321 V323E228-Q258 VanDerWaalsContact CB-OE1 3.27Å; L254-Q258 HydrophobicContact CD1-CG 4.13Å; L254-Q258 WeakPolarHBondContact O-CG 3.37Å; L254-Q258 PolarHBondContact O-N 2.87Å; Q258-M260 PolarHBondContact O-N 2.97Å; Q258-C261 PolarHBondContact O-N 3.47Å; Q258-Q262 VanDerWaalsContact O-CG 3.27Å; Q258-Q262 WeakPolarHBondContact O-CG 3.28Å; Q258-Q262 PolarHBondContact O-N 3.22Å; Q258-Q262 VanDerWaalsContact O-N 3.08Å; Q258-N321 PolarHBondContact NE2-O 3.16Å; Q258-V323 HydrophobicContact CG-CG2 3.8Å
259R90.7Very high90.4Very high126 Ų12660.4 Ų60.448%0.47530%0.296SS..Hα-helixtrans-61.7-44.4178-177.7176.164.6-142.3-4.1112.2G255 E256 I257 C261 Q262 E263G255-R259 WeakPolarHBondContact O-CB 3.37Å; G255-R259 PolarHBondContact O-N 2.92Å; E256-R259 PolarHBondContact O-N 3.41Å; I257-R259 VanDerWaalsContact C-N 3.32Å; I257-R259 PolarHBondContact O-N 3.47Å; R259-C261 VanDerWaalsContact C-N 3.3Å; R259-C261 PolarHBondContact O-N 2.71Å; R259-Q262 PolarHBondContact O-N 3.5Å; R259-E263 WeakPolarHBondContact CD-OE1 3.35Å; R259-E263 HydrophobicContact CG-CG 4.24Å; R259-E263 VanDerWaalsContact CG-OE1 3.23Å; R259-E263 WeakPolarHBondContact CG-OE1 3.43Å; R259-E263 IonicContact NE-OE1 3.25Å; R259-E263 WeakPolarHBondContact O-CB 3.2Å; R259-E263 WeakPolarHBondContact O-CG 3.21Å; R259-E263 PolarHBondContact O-N 3.13Å
260M94.3Very high89.9Confident45 Ų4560.5 Ų60.522%0.22230%0.298CS..Hα-helixtrans-58.4-42.6177.3-77.817667.200112E256 I257 Q258 M264 L307 N309E256-M260 WeakPolarHBondContact O-CB 3.5Å; E256-M260 VanDerWaalsContact O-CG 3.25Å; E256-M260 WeakPolarHBondContact O-CG 3.29Å; E256-M260 PolarHBondContact O-N 2.8Å; I257-M260 PolarHBondContact O-N 3.44Å; Q258-M260 PolarHBondContact O-N 2.97Å; M260-M264 HydrophobicContact CE-CE 3.9Å; M260-M264 WeakPolarHBondContact O-CB 3.24Å; M260-M264 VanDerWaalsContact O-CG 3.24Å; M260-M264 WeakPolarHBondContact O-CG 3.39Å; M260-M264 PolarHBondContact O-N 2.75Å; M260-L307 HydrophobicContact CB-CD2 4.38Å; M260-L307 HydrophobicContact CE-CD2 4.32Å; M260-N309 HydrophobicContact CE-CB 4.38Å; M260-N309 VanDerWaalsContact CE-OD1 3.31Å; M260-N309 WeakPolarHBondContact CE-OD1 3.29Å
261C94.9Very high89.8Confident1 Ų156.7 Ų56.71%0.00728%0.279CS..Hα-helixtrans-63.5-43.1176.5-70.80000112.1I257 Q258 R259 M264 A265 I317I257-C261 PolarHBondContact O-N 3.28Å; I257-C261 PolarHBondContact O-SG 2.71Å; Q258-C261 PolarHBondContact O-N 3.47Å; R259-C261 VanDerWaalsContact C-N 3.3Å; R259-C261 PolarHBondContact O-N 2.71Å; C261-M264 PolarHBondContact O-N 2.95Å; C261-A265 VanDerWaalsContact O-CB 3.31Å; C261-A265 WeakPolarHBondContact O-CB 3.47Å; C261-A265 PolarHBondContact O-N 3.48Å; C261-I317 WeakPolarHBondContact SG-CD1 3.04Å
262Q93.9Very high90.1Very high11 Ų1153.2 Ų53.25%0.05126%0.262CS..Hα-helixtrans-64.9-44.8178.9-65.9168.7-16.200111.4E228 Q258 R259 A265 E266 W267 G271E228-Q262 PolarHBondContact OE1-NE2 2.93Å; Q258-Q262 VanDerWaalsContact O-CG 3.27Å; Q258-Q262 WeakPolarHBondContact O-CG 3.28Å; Q258-Q262 PolarHBondContact O-N 3.22Å; Q258-Q262 VanDerWaalsContact O-N 3.08Å; R259-Q262 PolarHBondContact O-N 3.5Å; Q262-A265 CarbonylContact O-C 3.05Å; Q262-A265 PolarHBondContact O-N 2.82Å; Q262-E266 PolarHBondContact O-N 2.75Å; Q262-E266 VanDerWaalsContact O-N 3.07Å; Q262-W267 HydrophobicContact CB-CB 4.34Å; Q262-W267 PolarHBondContact O-N 2.95Å; Q262-G271 PolarHBondContact NE2-O 3.34Å
263E93.8Very high90.2Very high112 Ų11249 Ų4952%0.52324%0.235SC..Hα-helixtrans-62.8-44.8176-72.8172.5-175.200112.2R259 A265 E266R259-E263 WeakPolarHBondContact CD-OE1 3.35Å; R259-E263 HydrophobicContact CG-CG 4.24Å; R259-E263 VanDerWaalsContact CG-OE1 3.23Å; R259-E263 WeakPolarHBondContact CG-OE1 3.43Å; R259-E263 IonicContact NE-OE1 3.25Å; R259-E263 WeakPolarHBondContact O-CB 3.2Å; R259-E263 WeakPolarHBondContact O-CG 3.21Å; R259-E263 PolarHBondContact O-N 3.13Å; E263-A265 PolarHBondContact O-N 3.24Å; E263-E266 PolarHBondContact O-N 3.07Å
264M94.8Very high90.3Very high22 Ų2245.8 Ų45.811%0.10822%0.221CC..Hα-helixtrans-64.1-30.8178.2-75.6-176.7-165.100112.7M260 C261 L307 K343 L345 I369 K370M260-M264 HydrophobicContact CE-CE 3.9Å; M260-M264 WeakPolarHBondContact O-CB 3.24Å; M260-M264 VanDerWaalsContact O-CG 3.24Å; M260-M264 WeakPolarHBondContact O-CG 3.39Å; M260-M264 PolarHBondContact O-N 2.75Å; C261-M264 PolarHBondContact O-N 2.95Å; M264-L307 HydrophobicContact CE-CD1 3.87Å; M264-L307 HydrophobicContact SD-CD1 3.72Å; M264-K343 HydrophobicContact CE-CB 4.06Å; M264-K343 HydrophobicContact CE-CG 4.45Å; M264-L345 HydrophobicContact CB-CB 4.34Å; M264-L345 HydrophobicContact CB-CD2 3.69Å; M264-L345 HydrophobicContact SD-CB 3.97Å; M264-I369 VanDerWaalsContact O-CG2 3.28Å; M264-I369 WeakPolarHBondContact O-CG2 3.49Å; M264-K370 HydrophobicContact CB-CB 4.34Å; M264-K370 HydrophobicContact CB-CD 4.48Å; M264-K370 HydrophobicContact CG-CB 4.38Å; M264-K370 HydrophobicContact CG-CG 4.3Å; M264-K370 HydrophobicContact SD-CB 4.26Å
265A93.4Very high90.5Very high6 Ų645.8 Ų45.85%0.0522%0.222CC..THydrogen-bonded Turntrans-92.24.1178.300000114.4C261 Q262 E263 W267 P273 L345 I369C261-A265 VanDerWaalsContact O-CB 3.31Å; C261-A265 WeakPolarHBondContact O-CB 3.47Å; C261-A265 PolarHBondContact O-N 3.48Å; Q262-A265 CarbonylContact O-C 3.05Å; Q262-A265 PolarHBondContact O-N 2.82Å; E263-A265 PolarHBondContact O-N 3.24Å; A265-W267 PolarHBondContact O-N 3.11Å; A265-P273 HydrophobicContact CB-CB 3.74Å; A265-P273 HydrophobicContact CB-CG 4.16Å; A265-L345 HydrophobicContact CB-CD2 4.26Å; A265-I369 HydrophobicContact CB-CG2 4.32Å
266E91.9Very high90.5Very high126 Ų12647.3 Ų47.359%0.58922%0.223SC*.THydrogen-bonded Turntrans5635.3-177-60.2171.4-160.200112.5Q262 E263 Q378Q262-E266 PolarHBondContact O-N 2.75Å; Q262-E266 VanDerWaalsContact O-N 3.07Å; E263-E266 PolarHBondContact O-N 3.07Å; E266-Q378 PolarHBondContact OE1-NE2 3.44Å; E266-Q378 PolarHBondContact OE2-NE2 2.67Å
267W89.3Confident90.4Very high46 Ų4645.3 Ų45.317%0.17422%0.217CC..  trans-96.1121.9177.2-175.5-109.2000110.2R225 Q262 A265 R269 S270 P273 A454R225-W267 PolarHBondContact NH1-O 3.07Å; Q262-W267 HydrophobicContact CB-CB 4.34Å; Q262-W267 PolarHBondContact O-N 2.95Å; A265-W267 PolarHBondContact O-N 3.11Å; W267-R269 HydrophobicContact CH2-CB 4.45Å; W267-R269 HydrophobicContact CH2-CG 4.18Å; W267-R269 HydrophobicContact CZ2-CB 3.67Å; W267-R269 HydrophobicContact CZ2-CG 3.88Å; W267-R269 PolarHBondContact NE1-O 2.78Å; W267-S270 PolarHBondContact NE1-O 3.34Å; W267-P273 HydrophobicContact CB-CB 3.59Å; W267-P273 HydrophobicContact CD2-CB 4.49Å; W267-P273 HydrophobicContact CG-CB 3.75Å; W267-A454 HydrophobicContact CB-CB 4.39Å; W267-A454 HydrophobicContact CE3-CB 3.89Å
268D80.8Confident90Very high100 Ų10046.5 Ų46.554%0.53522%0.224SC..  trans-94.5-13.7-175.162.2-13.5000114R225R225-D268 PolarHBondContact NE-O 3.05Å
269R81.2Confident89.8Confident167 Ų16747.3 Ų47.363%0.6323%0.23SC*.SBendtrans-96.2173.1-178.2-38-172.4-178-176.5-3.4111.8W267W267-R269 HydrophobicContact CH2-CB 4.45Å; W267-R269 HydrophobicContact CH2-CG 4.18Å; W267-R269 HydrophobicContact CZ2-CB 3.67Å; W267-R269 HydrophobicContact CZ2-CG 3.88Å; W267-R269 PolarHBondContact NE1-O 2.78Å
270S81.1Confident89.7Confident52 Ų5241.7 Ų41.736%0.36421%0.21SC..SBendtrans-75.2160.5168.359.50000111.9E228 W267E228-S270 WeakPolarHBondContact OE1-CA 3.33Å; E228-S270 VanDerWaalsContact OE1-CB 3.27Å; E228-S270 WeakPolarHBondContact OE1-CB 3.27Å; W267-S270 PolarHBondContact NE1-O 3.34Å
271G85.8Confident89.3Confident19 Ų1940.7 Ų40.720%0.19621%0.205CC..SBendtrans92.6-164.4174.200000114.6E228 Q262 P273E228-G271 PolarHBondContact OE1-N 2.88Å; E228-G271 PolarHBondContact OE2-N 3.21Å; Q262-G271 PolarHBondContact NE2-O 3.34Å; G271-P273 WeakPolarHBondContact O-CD 3.4Å
272F89.3Confident88.9Confident21 Ų2147.2 Ų47.29%0.09223%0.23CC..  trans-75.5121.1-171.9-180-107.2000112.3G274 R303 M305 I317 D318 R319F272-G274 VanDerWaalsContact CE1-CA 3.42Å; F272-G274 PolarHBondContact O-N 2.81Å; F272-R303 HydrophobicContact CZ-CG 4.35Å; F272-M305 HydrophobicContact CD2-SD 4.46Å; F272-M305 HydrophobicContact CE2-CB 4.26Å; F272-M305 HydrophobicContact CE2-CG 3.64Å; F272-M305 HydrophobicContact CE2-SD 3.75Å; F272-M305 HydrophobicContact CZ-CG 3.68Å; F272-M305 HydrophobicContact CZ-SD 3.88Å; F272-I317 HydrophobicContact CD2-CG2 4.19Å; F272-D318 WeakPolarHBondContact CD2-O 3.21Å; F272-R319 WeakPolarHBondContact CB-O 3.25Å
273P92.2Very high88.5Confident1 Ų152.3 Ų52.31%0.00625%0.253CS..  trans-83.2-7.3-173.532.4-35000114.5A265 W267 G271 M305 A454 G455A265-P273 HydrophobicContact CB-CB 3.74Å; A265-P273 HydrophobicContact CB-CG 4.16Å; W267-P273 HydrophobicContact CB-CB 3.59Å; W267-P273 HydrophobicContact CD2-CB 4.49Å; W267-P273 HydrophobicContact CG-CB 3.75Å; G271-P273 WeakPolarHBondContact O-CD 3.4Å; P273-M305 HydrophobicContact CG-CE 4.47Å; P273-M305 HydrophobicContact CG-SD 3.84Å; P273-A454 VanDerWaalsContact O-CA 3.31Å; P273-A454 WeakPolarHBondContact O-CA 3.27Å; P273-A454 WeakPolarHBondContact O-CB 3.5Å; P273-G455 PolarHBondContact O-N 2.83Å
274G91.6Very high88.3Confident0 Ų047.6 Ų47.60%023%0.232CC..SBendtrans-66.7142.3-172.800000114.7F272 Q276 R303 Y452F272-G274 VanDerWaalsContact CE1-CA 3.42Å; F272-G274 PolarHBondContact O-N 2.81Å; G274-Q276 PolarHBondContact O-N 3.07Å; G274-Q276 PolarHBondContact O-NE2 3.49Å; G274-R303 VanDerWaalsContact C-NH2 3.35Å; G274-Y452 WeakPolarHBondContact CA-OH 3.19Å
275A92.4Very high87.9Confident5 Ų546.9 Ų46.94%0.04123%0.228CC..  trans-56117.3-179.500000113.8P277 R303 Y452 K453 G455 I460A275-P277 WeakPolarHBondContact O-CD 3.45Å; A275-R303 VanDerWaalsContact N-NH2 3.1Å; A275-R303 PolarHBondContact O-NH1 3.43Å; A275-R303 PolarHBondContact O-NH2 3.3Å; A275-Y452 HydrophobicContact CB-CE2 3.94Å; A275-Y452 PolarHBondContact N-OH 3.34Å; A275-K453 WeakPolarHBondContact CB-O 3.17Å; A275-G455 CarbonylContact C-O 3.56Å; A275-G455 VanDerWaalsContact CA-O 3.31Å; A275-G455 WeakPolarHBondContact CA-O 3.49Å; A275-I460 HydrophobicContact CB-CD1 3.86Å
276Q88.9Confident87.7Confident53 Ų5353 Ų5325%0.24825%0.25CS..EExtended strand (participates in β ladder)trans-95.8115.2-178-58.4-61.4-2800111.5G274 G455 C457G274-Q276 PolarHBondContact O-N 3.07Å; G274-Q276 PolarHBondContact O-NE2 3.49Å; Q276-G455 PolarHBondContact N-O 2.77Å; Q276-C457 PolarHBondContact O-N 2.74Å
277P90.3Very high87.6Confident30 Ų3049.2 Ų49.220%0.19523%0.232CC..EExtended strand (participates in β ladder)trans-75.1148.7179.330.6-35.7000112.7A275 I445 I460 K462A275-P277 WeakPolarHBondContact O-CD 3.45Å; P277-I445 HydrophobicContact CB-CD1 3.92Å; P277-I445 HydrophobicContact CG-CD1 4.23Å; P277-I460 CarbonylContact C-O 3.48Å; P277-I460 VanDerWaalsContact CA-O 3.32Å; P277-I460 WeakPolarHBondContact CA-O 3.45Å; P277-I460 HydrophobicContact CB-CB 4.08Å; P277-I460 HydrophobicContact CB-CG2 3.7Å; P277-I460 WeakPolarHBondContact CB-O 3.45Å; P277-K462 HydrophobicContact CB-CB 4.47Å; P277-K462 HydrophobicContact CG-CD 4.28Å
278V86.9Confident87.6Confident26 Ų2647.4 Ų47.416%0.15823%0.225CC..EExtended strand (participates in β ladder)trans-97.8150.6175.8-61.20000111.5R456 D458 I460 L461 K462V278-R456 HydrophobicContact CG1-CG 4.37Å; V278-D458 WeakPolarHBondContact CG1-OD1 3.36Å; V278-D458 WeakPolarHBondContact CG2-O 3.26Å; V278-I460 PolarHBondContact N-O 3.03Å; V278-L461 HydrophobicContact CG2-CD2 3.69Å; V278-L461 WeakPolarHBondContact O-CA 3.25Å; V278-K462 WeakPolarHBondContact O-CG 3.43Å; V278-K462 PolarHBondContact O-N 2.97Å
279S87.9Confident87.9Confident25 Ų2548.6 Ų48.618%0.17523%0.228CC..EExtended strand (participates in β ladder)trans-66.2136.2177-60.30000110.7N284 K462S279-N284 PolarHBondContact O-ND2 3.39Å; S279-K462 WeakPolarHBondContact OG-CE 3.47Å
280M88.8Confident88.1Confident8 Ų846.3 Ų46.34%0.03922%0.224CC..PPolyproline II helixtrans-66.3133.6175.2-174.6174.4-78.600110.5N284 L285 L288 F446 L461 K462 W463 V557 L562M280-N284 WeakPolarHBondContact CA-OD1 3.49Å; M280-L285 HydrophobicContact CE-CD2 4.29Å; M280-L285 HydrophobicContact CG-CD2 4.09Å; M280-L285 HydrophobicContact CG-CG 4.26Å; M280-L285 HydrophobicContact SD-CD2 3.54Å; M280-L285 VanDerWaalsContact SD-CD2 3.54Å; M280-L285 HydrophobicContact SD-CG 4.33Å; M280-L288 HydrophobicContact CE-CD1 4.01Å; M280-F446 HydrophobicContact CE-CD2 3.36Å; M280-F446 HydrophobicContact CE-CE2 3.51Å; M280-F446 HydrophobicContact CE-CG 4Å; M280-F446 HydrophobicContact CE-CZ 4.25Å; M280-F446 HydrophobicContact SD-CE2 4.44Å; M280-L461 HydrophobicContact CB-CB 4.47Å; M280-L461 HydrophobicContact CE-CB 3.85Å; M280-L461 HydrophobicContact CE-CD1 3.86Å; M280-K462 PolarHBondContact N-O 2.92Å; M280-W463 HydrophobicContact CB-CB 4.13Å; M280-W463 HydrophobicContact CE-CB 4.28Å; M280-W463 HydrophobicContact SD-CB 3.87Å; M280-W463 HydrophobicContact SD-CG 4.05Å; M280-V557 HydrophobicContact SD-CG1 4.33Å; M280-L562 HydrophobicContact CE-CD1 4.45Å; M280-L562 HydrophobicContact SD-CD1 3.9Å
281D86.6Confident88.4Confident24 Ų2447.8 Ų47.813%0.12823%0.228CC..  trans-138.4173.7175.6797.1000110.8Q283 N284 L285 K551D281-Q283 PolarHBondContact O-N 3.42Å; D281-Q283 VanDerWaalsContact O-N 3.15Å; D281-Q283 WeakPolarHBondContact OD1-CA 3.34Å; D281-Q283 WeakPolarHBondContact OD1-CB 3.39Å; D281-Q283 PolarHBondContact OD1-N 3.24Å; D281-N284 PolarHBondContact N-ND2 3.33Å; D281-N284 PolarHBondContact N-OD1 3.37Å; D281-N284 PolarHBondContact O-N 2.83Å; D281-N284 PolarHBondContact O-OD1 2.97Å; D281-N284 PolarHBondContact OD1-N 2.8Å; D281-L285 WeakPolarHBondContact O-CG 3.48Å; D281-L285 PolarHBondContact O-N 3.47Å; D281-L285 VanDerWaalsContact O-N 3.15Å; D281-K551 IonicContact OD2-NZ 3.91Å; D281-K551 PolarHBondContact OD2-NZ 3.41Å
282R85.1Confident88.7Confident137 Ų13751.1 Ų51.152%0.51725%0.246SC..THydrogen-bonded Turntrans-63-21-177.9-66-177.3174.9-164.3-2.9113.7V557R282-V557 HydrophobicContact CG-CG2 4.12Å
283Q85.8Confident89Confident118 Ų11850.7 Ų50.755%0.55124%0.244SC*.THydrogen-bonded Turntrans-85.5-40.1-178.4-62.8174.9-8.900111.3D281 R286 K551D281-Q283 PolarHBondContact O-N 3.42Å; D281-Q283 VanDerWaalsContact O-N 3.15Å; D281-Q283 WeakPolarHBondContact OD1-CA 3.34Å; D281-Q283 WeakPolarHBondContact OD1-CB 3.39Å; D281-Q283 PolarHBondContact OD1-N 3.24Å; Q283-R286 WeakPolarHBondContact O-CD 3.37Å; Q283-R286 WeakPolarHBondContact O-CG 3.29Å; Q283-R286 PolarHBondContact O-NE 2.99Å; Q283-K551 VanDerWaalsContact OE1-NZ 3.14Å
284N89.4Confident89.1Confident14 Ų1452.9 Ų52.98%0.07525%0.254CS..G310 helixtrans-85.7-12.8-178.168.927.3000114S279 M280 D281 R286 F287 L461S279-N284 PolarHBondContact O-ND2 3.39Å; M280-N284 WeakPolarHBondContact CA-OD1 3.49Å; D281-N284 PolarHBondContact N-ND2 3.33Å; D281-N284 PolarHBondContact N-OD1 3.37Å; D281-N284 PolarHBondContact O-N 2.83Å; D281-N284 PolarHBondContact O-OD1 2.97Å; D281-N284 PolarHBondContact OD1-N 2.8Å; N284-R286 PolarHBondContact O-N 3.45Å; N284-R286 VanDerWaalsContact O-N 3.1Å; N284-F287 HydrophobicContact CB-CD2 3.82Å; N284-F287 HydrophobicContact CB-CE2 3.7Å; N284-F287 HydrophobicContact CB-CZ 4.47Å; N284-F287 VanDerWaalsContact O-CB 3.31Å; N284-F287 WeakPolarHBondContact O-CB 3.41Å; N284-F287 WeakPolarHBondContact O-CD2 3.47Å; N284-F287 WeakPolarHBondContact O-CG 3.33Å; N284-F287 PolarHBondContact O-N 3.43Å; N284-L461 HydrophobicContact CB-CD2 4.05Å
285L87.8Confident89.3Confident6 Ų652.9 Ų52.93%0.03125%0.254CS..G310 helixtrans-50.1-35.4169.7-88.2174.1000112.8M280 D281 F287 L288 V557 I561 L562 Y565M280-L285 HydrophobicContact CE-CD2 4.29Å; M280-L285 HydrophobicContact CG-CD2 4.09Å; M280-L285 HydrophobicContact CG-CG 4.26Å; M280-L285 HydrophobicContact SD-CD2 3.54Å; M280-L285 VanDerWaalsContact SD-CD2 3.54Å; M280-L285 HydrophobicContact SD-CG 4.33Å; D281-L285 WeakPolarHBondContact O-CG 3.48Å; D281-L285 PolarHBondContact O-N 3.47Å; D281-L285 VanDerWaalsContact O-N 3.15Å; L285-F287 PolarHBondContact O-N 3.04Å; L285-F287 VanDerWaalsContact O-N 3.07Å; L285-L288 HydrophobicContact CD2-CD1 4.13Å; L285-L288 WeakPolarHBondContact O-CB 3.31Å; L285-L288 PolarHBondContact O-N 3.31Å; L285-V557 HydrophobicContact CD1-CG1 3.87Å; L285-V557 HydrophobicContact CD1-CG2 3.85Å; L285-V557 HydrophobicContact CD2-CG1 4.28Å; L285-V557 HydrophobicContact CG-CG1 4.42Å; L285-V557 HydrophobicContact CG-CG2 4.37Å; L285-I561 HydrophobicContact CD1-CG2 4.4Å; L285-L562 HydrophobicContact CD2-CD1 4.03Å; L285-Y565 HydrophobicContact CB-CE2 4.49Å; L285-Y565 WeakPolarHBondContact O-CE1 3.45Å
286R88.9Confident89.4Confident134 Ų13452.6 Ų52.651%0.50625%0.252SS..G310 helixtrans-57.6-23.1177.775.9-167.5173.2176.3-2.7114.2Q283 N284 L288 E289 Q290 Y565Q283-R286 WeakPolarHBondContact O-CD 3.37Å; Q283-R286 WeakPolarHBondContact O-CG 3.29Å; Q283-R286 PolarHBondContact O-NE 2.99Å; N284-R286 PolarHBondContact O-N 3.45Å; N284-R286 VanDerWaalsContact O-N 3.1Å; R286-L288 PolarHBondContact O-N 2.9Å; R286-E289 PolarHBondContact O-N 3.36Å; R286-Q290 VanDerWaalsContact O-CG 3.31Å; R286-Q290 WeakPolarHBondContact O-CG 3.21Å; R286-Q290 PolarHBondContact O-N 3.18Å; R286-Y565 WeakPolarHBondContact CA-OH 2.96Å
287F90.4Very high89.5Confident48 Ų4850.8 Ų50.821%0.21124%0.242CC..Hα-helixtrans-65.2-30.7178.1-60.5-25.5000112.1N284 L285 E289 Q290 N291 Y293 D458 L461N284-F287 HydrophobicContact CB-CD2 3.82Å; N284-F287 HydrophobicContact CB-CE2 3.7Å; N284-F287 HydrophobicContact CB-CZ 4.47Å; N284-F287 VanDerWaalsContact O-CB 3.31Å; N284-F287 WeakPolarHBondContact O-CB 3.41Å; N284-F287 WeakPolarHBondContact O-CD2 3.47Å; N284-F287 WeakPolarHBondContact O-CG 3.33Å; N284-F287 PolarHBondContact O-N 3.43Å; L285-F287 PolarHBondContact O-N 3.04Å; L285-F287 VanDerWaalsContact O-N 3.07Å; F287-E289 PolarHBondContact O-N 2.88Å; F287-Q290 PolarHBondContact O-N 2.97Å; F287-N291 PolarHBondContact O-N 3.04Å; F287-Y293 HydrophobicContact CB-CE2 4.11Å; F287-Y293 VanDerWaalsContact O-CE2 3.28Å; F287-Y293 WeakPolarHBondContact O-CE2 3.32Å; F287-D458 WeakPolarHBondContact CE2-O 3.46Å; F287-L461 HydrophobicContact CD2-CD2 4.38Å
288L89.1Confident89.4Confident7 Ų751.1 Ų51.14%0.03724%0.241CC..Hα-helixtrans-65.3-24.1177.7-59.9-178.6000112.9M280 L285 R286 Y293 F446 L461 L562 L566M280-L288 HydrophobicContact CE-CD1 4.01Å; L285-L288 HydrophobicContact CD2-CD1 4.13Å; L285-L288 WeakPolarHBondContact O-CB 3.31Å; L285-L288 PolarHBondContact O-N 3.31Å; R286-L288 PolarHBondContact O-N 2.9Å; L288-Y293 HydrophobicContact CD2-CD1 3.86Å; L288-Y293 HydrophobicContact CD2-CD2 3.84Å; L288-Y293 HydrophobicContact CD2-CE1 4.22Å; L288-Y293 HydrophobicContact CD2-CE2 4.22Å; L288-Y293 HydrophobicContact CD2-CG 3.66Å; L288-F446 HydrophobicContact CD1-CD1 4.22Å; L288-F446 HydrophobicContact CD1-CE1 4.17Å; L288-F446 HydrophobicContact CD2-CB 4.04Å; L288-F446 HydrophobicContact CD2-CD1 3.66Å; L288-F446 HydrophobicContact CD2-CE1 4.39Å; L288-F446 HydrophobicContact CD2-CG 4.01Å; L288-L461 HydrophobicContact CD2-CD1 4.36Å; L288-L562 HydrophobicContact CD1-CD1 4.41Å; L288-L566 HydrophobicContact CD1-CD2 4.12Å
289E85.9Confident89.2Confident126 Ų12649.9 Ų49.959%0.58923%0.233SC*.Hα-helixtrans-89.8-33.4175.9-172.9176.5-176.600111.9R286 F287 Y565R286-E289 PolarHBondContact O-N 3.36Å; F287-E289 PolarHBondContact O-N 2.88Å; E289-Y565 HydrophobicContact CB-CE1 4.23Å; E289-Y565 PolarHBondContact OE2-OH 3.45Å
290Q85.6Confident88.8Confident119 Ų11952.2 Ų52.256%0.55624%0.244SC*.Hα-helixtrans-81.5-27.8-174.6-69.4172.20.200113.7R286 F287R286-Q290 VanDerWaalsContact O-CG 3.31Å; R286-Q290 WeakPolarHBondContact O-CG 3.21Å; R286-Q290 PolarHBondContact O-N 3.18Å; F287-Q290 PolarHBondContact O-N 2.97Å
291N87.9Confident88.6Confident82 Ų8252.9 Ų52.944%0.43925%0.253SS..SBendtrans-133.8154.6-173.9-60.4-72.2000111.4F287 Y293F287-N291 PolarHBondContact O-N 3.04Å; N291-Y293 HydrophobicContact CB-CD2 4.32Å; N291-Y293 HydrophobicContact CB-CE2 3.94Å; N291-Y293 WeakPolarHBondContact O-CD2 3.41Å; N291-Y293 PolarHBondContact O-N 3Å
292P92.1Very high88.7Confident89 Ų8953.5 Ų53.558%0.57826%0.258SS*.  trans-70.2128.6172.327.9-33.4000111C449P292-C449 HydrophobicContact CB-CB 4.17Å; P292-C449 HydrophobicContact CG-CB 4.05Å; P292-C449 PolarHBondContact O-N 3.38Å
293Y94.7Very high89Confident13 Ų1347.5 Ų47.55%0.05124%0.235CC..EExtended strand (participates in β ladder)trans-124.1156.6177.6-86.3-97.2000111.7F287 L288 N291 I422 F446 Q447 P448 D459F287-Y293 HydrophobicContact CB-CE2 4.11Å; F287-Y293 VanDerWaalsContact O-CE2 3.28Å; F287-Y293 WeakPolarHBondContact O-CE2 3.32Å; L288-Y293 HydrophobicContact CD2-CD1 3.86Å; L288-Y293 HydrophobicContact CD2-CD2 3.84Å; L288-Y293 HydrophobicContact CD2-CE1 4.22Å; L288-Y293 HydrophobicContact CD2-CE2 4.22Å; L288-Y293 HydrophobicContact CD2-CG 3.66Å; N291-Y293 HydrophobicContact CB-CD2 4.32Å; N291-Y293 HydrophobicContact CB-CE2 3.94Å; N291-Y293 WeakPolarHBondContact O-CD2 3.41Å; N291-Y293 PolarHBondContact O-N 3Å; Y293-I422 WeakPolarHBondContact O-CG2 3.48Å; Y293-F446 HydrophobicContact CD1-CB 3.81Å; Y293-F446 HydrophobicContact CE1-CB 4.23Å; Y293-Q447 CarbonylContact C-O 3.44Å; Y293-Q447 WeakPolarHBondContact CA-O 3.04Å; Y293-Q447 WeakPolarHBondContact CD1-O 3.46Å; Y293-P448 HydrophobicContact CD1-CB 4.32Å; Y293-P448 HydrophobicContact CE1-CB 3.86Å; Y293-P448 HydrophobicContact CE1-CG 4.25Å; Y293-P448 HydrophobicContact CE2-CB 4.37Å; Y293-D459 WeakPolarHBondContact CE1-O 3.44Å; Y293-D459 VanDerWaalsContact CZ-O 3.25Å; Y293-D459 PolarHBondContact OH-O 2.93Å
294K95.3Very high89.5Confident46 Ų4641.9 Ų41.920%0.221%0.209CC..EExtended strand (participates in β ladder)trans-117.9156159.9-71.3-155.3173.3-177.50111F381 N382 L385 F419 F420 F446 Q447K294-F381 HydrophobicContact CB-CD1 4.44Å; K294-F381 HydrophobicContact CB-CE1 4.14Å; K294-F381 HydrophobicContact CD-CD1 4.41Å; K294-F381 HydrophobicContact CD-CE1 4.34Å; K294-F381 HydrophobicContact CG-CD1 4.5Å; K294-N382 WeakPolarHBondContact CE-OD1 3.37Å; K294-N382 PolarHBondContact NZ-OD1 2.69Å; K294-L385 HydrophobicContact CD-CD1 4.09Å; K294-F419 HydrophobicContact CB-CB 4.04Å; K294-F419 HydrophobicContact CB-CD1 4.05Å; K294-F419 HydrophobicContact CB-CG 4.48Å; K294-F419 HydrophobicContact CD-CB 3.82Å; K294-F420 CarbonylContact C-O 3.59Å; K294-F420 VanDerWaalsContact CA-O 3.3Å; K294-F420 WeakPolarHBondContact CA-O 2.96Å; K294-F420 WeakPolarHBondContact CB-O 3.29Å; K294-F446 CarbonylContact O-C 3.59Å; K294-F446 WeakPolarHBondContact O-CA 3.37Å; K294-Q447 PolarHBondContact N-O 3.32Å; K294-Q447 PolarHBondContact O-N 2.89Å
295V95.3Very high89.9Confident0 Ų041.3 Ų41.30%021%0.206CC..EExtended strand (participates in β ladder)trans-121.3142.6178.570.40000111.5F420 D421 L428 L444 I445 F446V295-F420 HydrophobicContact CG1-CB 4.48Å; V295-F420 PolarHBondContact N-O 3.27Å; V295-F420 PolarHBondContact O-N 3.21Å; V295-D421 VanDerWaalsContact CG1-O 3.25Å; V295-D421 WeakPolarHBondContact CG1-O 3.45Å; V295-L428 HydrophobicContact CG1-CD1 3.99Å; V295-L428 HydrophobicContact CG2-CD1 4.29Å; V295-L444 HydrophobicContact CG2-CB 4.13Å; V295-L444 HydrophobicContact CG2-CD1 4.18Å; V295-L444 HydrophobicContact CG2-CD2 4.21Å; V295-L444 HydrophobicContact CG2-CG 4.41Å; V295-I445 WeakPolarHBondContact CA-O 3.18Å; V295-F446 HydrophobicContact CB-CD1 4.06Å; V295-F446 HydrophobicContact CB-CE1 4.01Å; V295-F446 HydrophobicContact CG2-CD1 3.97Å; V295-F446 HydrophobicContact CG2-CE1 3.7Å; V295-F446 HydrophobicContact CG2-CE2 4.28Å; V295-F446 HydrophobicContact CG2-CG 4.37Å; V295-F446 HydrophobicContact CG2-CZ 3.87Å
296S94.3Very high90.4Very high0 Ų041 Ų410%020%0.204CC..EExtended strand (participates in β ladder)trans-136.4165.5165.4174.80000108.9K417 P418 L444 I445S296-K417 VanDerWaalsContact OG-CE 3.29Å; S296-K417 WeakPolarHBondContact OG-CE 3.38Å; S296-P418 PolarHBondContact OG-O 3.11Å; S296-L444 WeakPolarHBondContact O-CA 3.48Å; S296-I445 PolarHBondContact N-O 3.11Å; S296-I445 PolarHBondContact O-N 3.12Å
297W91.4Very high90.9Very high14 Ų1434.7 Ų34.75%0.05318%0.18CC..EExtended strand (participates in β ladder)trans-68.4149.6167.370.694.9000111K417 P418 F420 L428 F433 V437 H439 V441W297-K417 HydrophobicContact CZ2-CG 4.49Å; W297-K417 WeakPolarHBondContact O-CE 3.49Å; W297-K417 PolarHBondContact O-NZ 2.99Å; W297-P418 HydrophobicContact CH2-CG 3.4Å; W297-P418 VanDerWaalsContact CH2-CG 3.4Å; W297-P418 HydrophobicContact CZ3-CG 3.5Å; W297-F420 HydrophobicContact CE3-CE2 4.47Å; W297-F420 HydrophobicContact CZ3-CE2 4.01Å; W297-L428 HydrophobicContact CE3-CD2 4.15Å; W297-F433 HydrophobicContact CB-CE1 4.32Å; W297-F433 AromaticContact CD2-CE1 3.65Å; W297-F433 HydrophobicContact CD2-CE1 3.65Å; W297-F433 AromaticContact CD2-CZ 3.72Å; W297-F433 HydrophobicContact CD2-CZ 3.72Å; W297-F433 AromaticContact CE3-CE1 3.42Å; W297-F433 HydrophobicContact CE3-CE1 3.42Å; W297-F433 VanDerWaalsContact CE3-CE1 3.42Å; W297-F433 HydrophobicContact CE3-CE2 4.22Å; W297-F433 AromaticContact CE3-CZ 3.2Å; W297-F433 HydrophobicContact CE3-CZ 3.2Å; W297-F433 HydrophobicContact CG-CE1 4.05Å; W297-F433 HydrophobicContact CH2-CE1 4.48Å; W297-F433 HydrophobicContact CH2-CE2 4.36Å; W297-F433 AromaticContact CH2-CZ 3.58Å; W297-F433 HydrophobicContact CH2-CZ 3.58Å; W297-F433 HydrophobicContact CZ2-CZ 4.11Å; W297-F433 AromaticContact CZ3-CE1 3.87Å; W297-F433 HydrophobicContact CZ3-CE1 3.87Å; W297-F433 AromaticContact CZ3-CE2 3.86Å; W297-F433 HydrophobicContact CZ3-CE2 3.86Å; W297-F433 AromaticContact CZ3-CZ 3.11Å; W297-F433 HydrophobicContact CZ3-CZ 3.11Å; W297-V437 HydrophobicContact CZ2-CG1 4.39Å; W297-H439 AromaticContact CD1-NE2 3.6Å; W297-H439 AromaticContact CE2-NE2 3.93Å; W297-H439 AromaticContact NE1-CE1 3.61Å; W297-H439 AromaticContact NE1-NE2 2.99Å; W297-H439 PolarHBondContact NE1-NE2 3.48Å; W297-V441 HydrophobicContact CB-CG1 3.83Å; W297-V441 HydrophobicContact CB-CG2 4.34Å; W297-V441 HydrophobicContact CG-CG2 4.29Å
298K88.6Confident91.2Very high37 Ų3732.4 Ų32.416%0.16117%0.17CC..EExtended strand (participates in β ladder)trans-90.5130.8167.1-162.8-169.4163.4-64.90108.1V441 D442 G443K298-V441 WeakPolarHBondContact O-CA 3.38Å; K298-D442 VanDerWaalsContact CB-OD1 3.28Å; K298-D442 WeakPolarHBondContact CB-OD1 3.33Å; K298-D442 VanDerWaalsContact CD-OD1 3.23Å; K298-D442 WeakPolarHBondContact CD-OD1 3.36Å; K298-D442 WeakPolarHBondContact CG-OD1 3.43Å; K298-D442 IonicContact NZ-OD1 2.96Å; K298-D442 PolarHBondContact NZ-OD1 2.75Å; K298-D442 IonicContact NZ-OD2 2.9Å; K298-D442 PolarHBondContact NZ-OD2 2.82Å; K298-D442 PolarHBondContact O-N 3.22Å; K298-D442 VanDerWaalsContact O-N 3.11Å; K298-G443 PolarHBondContact N-O 3.2Å
299A83.1Confident91.6Very high0 Ų033.8 Ų33.80%018%0.178CC..EExtended strand (participates in β ladder)trans-99.4157.417400000108.8G301 I351A299-G301 PolarHBondContact O-N 2.78Å; A299-I351 HydrophobicContact CB-CG2 3.74Å
300D78.5Confident92Very high74 Ų7428.4 Ų28.440%0.39616%0.156SC..SBendtrans-86.589.8164-16925.5000108.8E440 R532D300-E440 PolarHBondContact N-O 3.05Å; D300-R532 IonicContact OD1-NH2 2.93Å; D300-R532 PolarHBondContact OD1-NH2 3.01Å; D300-R532 IonicContact OD2-NH2 3.18Å
301G85.1Confident92.3Very high23 Ų2330.8 Ų30.824%0.23716%0.164CC..  trans-137.8169.1-17900000113.4A299 E349 M350A299-G301 PolarHBondContact O-N 2.78Å; G301-E349 PolarHBondContact N-OE1 3.05Å; G301-M350 CarbonylContact C-O 3.57Å; G301-M350 WeakPolarHBondContact CA-O 3.38Å
302T88.7Confident92.4Very high37 Ų3731 Ų3123%0.22717%0.166CC..EExtended strand (participates in β ladder)trans-89123.1174.7-54.60000109Y304 M350T302-Y304 HydrophobicContact CG2-CD2 4.08Å; T302-Y304 HydrophobicContact CG2-CE2 3.43Å; T302-Y304 VanDerWaalsContact CG2-CE2 3.43Å; T302-Y304 WeakPolarHBondContact O-CD2 3.4Å; T302-M350 PolarHBondContact N-O 2.8Å; T302-M350 PolarHBondContact O-N 3.21Å
303R91.8Very high92.5Very high10 Ų1029.5 Ų29.54%0.03815%0.151CC..EExtended strand (participates in β ladder)trans-73.8133.3-179.6-175.4179.5-176.9170.96110.9F272 G274 A275 R319 D347 Y366F272-R303 HydrophobicContact CZ-CG 4.35Å; G274-R303 VanDerWaalsContact C-NH2 3.35Å; A275-R303 VanDerWaalsContact N-NH2 3.1Å; A275-R303 PolarHBondContact O-NH1 3.43Å; A275-R303 PolarHBondContact O-NH2 3.3Å; R303-R319 HydrophobicContact CB-CG 4.34Å; R303-D347 IonicContact CZ-OD1 3.44Å; R303-D347 IonicContact CZ-OD2 2.81Å; R303-D347 IonicContact NE-OD1 2.67Å; R303-D347 PolarHBondContact NE-OD1 2.88Å; R303-D347 IonicContact NE-OD2 3.02Å; R303-D347 IonicContact NH2-OD1 3.39Å; R303-D347 PolarHBondContact NH2-OD1 3.18Å; R303-D347 IonicContact NH2-OD2 2.95Å; R303-D347 PolarHBondContact NH2-OD2 3.35Å; R303-Y366 VanDerWaalsContact CZ-OH 3.25Å; R303-Y366 PolarHBondContact NE-OH 3.07Å; R303-Y366 PolarHBondContact NH2-OH 2.96Å
304Y96.3Very high92.7Very high1 Ų128.9 Ų28.90%0.00415%0.149CC..EExtended strand (participates in β ladder)trans-137.9143.4173.7-77.4-78.6000110.9F236 T302 M316 I317 D318 F324 G348 M350 Y363F236-Y304 WeakPolarHBondContact CA-OH 3.39Å; F236-Y304 HydrophobicContact CD2-CE1 4.02Å; F236-Y304 HydrophobicContact CD2-CE2 4.25Å; F236-Y304 AromaticContact CD2-CZ 3.66Å; F236-Y304 WeakPolarHBondContact CD2-OH 3.25Å; F236-Y304 HydrophobicContact CE2-CD1 4.45Å; F236-Y304 AromaticContact CE2-CE1 3.96Å; F236-Y304 HydrophobicContact CE2-CE1 3.96Å; F236-Y304 HydrophobicContact CE2-CE2 4.06Å; F236-Y304 AromaticContact CE2-CZ 3.77Å; F236-Y304 PolarHBondContact O-OH 2.81Å; T302-Y304 HydrophobicContact CG2-CD2 4.08Å; T302-Y304 HydrophobicContact CG2-CE2 3.43Å; T302-Y304 VanDerWaalsContact CG2-CE2 3.43Å; T302-Y304 WeakPolarHBondContact O-CD2 3.4Å; Y304-M316 HydrophobicContact CD1-CB 3.8Å; Y304-M316 HydrophobicContact CD1-CE 4.3Å; Y304-M316 HydrophobicContact CD2-CE 3.99Å; Y304-M316 HydrophobicContact CE1-CB 4.32Å; Y304-M316 HydrophobicContact CG-CB 4.34Å; Y304-M316 HydrophobicContact CG-CE 3.65Å; Y304-I317 CarbonylContact C-O 3.44Å; Y304-I317 VanDerWaalsContact CA-O 3.29Å; Y304-I317 WeakPolarHBondContact CA-O 3.3Å; Y304-D318 HydrophobicContact CD1-CB 4.01Å; Y304-D318 HydrophobicContact CE1-CB 3.54Å; Y304-F324 AromaticContact CE1-CD2 3.83Å; Y304-F324 HydrophobicContact CE1-CD2 3.83Å; Y304-F324 AromaticContact CE1-CE2 3.88Å; Y304-F324 HydrophobicContact CE1-CE2 3.88Å; Y304-G348 PolarHBondContact N-O 2.95Å; Y304-G348 CarbonylContact O-C 3.51Å; Y304-G348 PolarHBondContact O-N 2.82Å; Y304-M350 HydrophobicContact CD2-CB 3.85Å; Y304-M350 HydrophobicContact CE2-CB 4.19Å; Y304-Y363 PolarHBondContact O-OH 2.8Å; Y304-Y363 VanDerWaalsContact O-OH 3.08Å
305M97.8Very high92.8Very high1 Ų127.1 Ų27.11%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-94.4139.7157.9-67.3179.785.800109F272 P273 M316 I317 L345 L346 I369F272-M305 HydrophobicContact CD2-SD 4.46Å; F272-M305 HydrophobicContact CE2-CB 4.26Å; F272-M305 HydrophobicContact CE2-CG 3.64Å; F272-M305 HydrophobicContact CE2-SD 3.75Å; F272-M305 HydrophobicContact CZ-CG 3.68Å; F272-M305 HydrophobicContact CZ-SD 3.88Å; P273-M305 HydrophobicContact CG-CE 4.47Å; P273-M305 HydrophobicContact CG-SD 3.84Å; M305-M316 CarbonylContact O-C 3.47Å; M305-M316 VanDerWaalsContact O-CA 3.3Å; M305-M316 WeakPolarHBondContact O-CA 3.45Å; M305-I317 PolarHBondContact N-O 3.15Å; M305-I317 WeakPolarHBondContact O-CD1 3.42Å; M305-I317 PolarHBondContact O-N 3Å; M305-L345 HydrophobicContact CB-CD1 4.29Å; M305-L345 HydrophobicContact CE-CD1 4.12Å; M305-L345 HydrophobicContact CE-CD2 3.66Å; M305-L345 HydrophobicContact CE-CG 3.83Å; M305-L346 CarbonylContact C-O 3.49Å; M305-L346 WeakPolarHBondContact CA-O 3.4Å; M305-I369 HydrophobicContact CE-CD1 3.65Å; M305-I369 HydrophobicContact CE-CG1 4.18Å
306M98.4Very high92.9Very high0 Ų027.1 Ų27.10%014%0.141CC..EExtended strand (participates in β ladder)trans-108.5117.5177.3-174.6-177.1-77.700110.2I308 V314 F315 M316 L329 F331 L345 L346 Y363 F412M306-I308 HydrophobicContact CG-CG1 4.12Å; M306-I308 HydrophobicContact SD-CD1 4.25Å; M306-I308 HydrophobicContact SD-CG1 4.16Å; M306-V314 HydrophobicContact CG-CG1 3.91Å; M306-V314 HydrophobicContact SD-CG1 4.04Å; M306-F315 CarbonylContact C-O 3.57Å; M306-F315 VanDerWaalsContact CA-O 3.31Å; M306-F315 WeakPolarHBondContact CA-O 3.41Å; M306-M316 HydrophobicContact CB-SD 3.61Å; M306-M316 HydrophobicContact CE-CE 4.31Å; M306-M316 HydrophobicContact CE-CG 4.48Å; M306-M316 HydrophobicContact CE-SD 3.46Å; M306-M316 WeakPolarHBondContact CE-SD 3.34Å; M306-M316 HydrophobicContact CG-SD 3.86Å; M306-L329 HydrophobicContact CE-CD2 3.82Å; M306-L329 HydrophobicContact SD-CD2 4.45Å; M306-F331 HydrophobicContact CE-CZ 4.21Å; M306-F331 HydrophobicContact SD-CE1 4.24Å; M306-F331 HydrophobicContact SD-CE2 3.75Å; M306-F331 HydrophobicContact SD-CZ 3.34Å; M306-F331 WeakPolarHBondContact SD-CZ 3.44Å; M306-L345 WeakPolarHBondContact O-CA 3.47Å; M306-L346 HydrophobicContact CB-CB 4.25Å; M306-L346 PolarHBondContact N-O 3.49Å; M306-L346 PolarHBondContact O-N 2.89Å; M306-L346 HydrophobicContact SD-CD1 4.32Å; M306-Y363 HydrophobicContact CB-CE1 3.86Å; M306-Y363 HydrophobicContact CE-CD1 3.47Å; M306-Y363 VanDerWaalsContact CE-CD1 3.47Å; M306-Y363 HydrophobicContact CE-CE1 3.62Å; M306-Y363 HydrophobicContact CE-CG 4.16Å; M306-Y363 PolarHBondContact N-OH 2.9Å; M306-Y363 HydrophobicContact SD-CD1 4.39Å; M306-Y363 HydrophobicContact SD-CE1 4.12Å; M306-F412 HydrophobicContact CE-CE2 3.88Å; M306-F412 HydrophobicContact CE-CZ 4.05Å
307L98.4Very high93Very high1 Ų127.2 Ų27.21%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-94.4122.3169.8176.668.6000109.3I257 M260 M264 V314 F315 I317 L345I257-L307 HydrophobicContact CG2-CD2 3.86Å; M260-L307 HydrophobicContact CB-CD2 4.38Å; M260-L307 HydrophobicContact CE-CD2 4.32Å; M264-L307 HydrophobicContact CE-CD1 3.87Å; M264-L307 HydrophobicContact SD-CD1 3.72Å; L307-V314 WeakPolarHBondContact O-CA 3.49Å; L307-F315 HydrophobicContact CB-CB 4.36Å; L307-F315 HydrophobicContact CD2-CD2 4.18Å; L307-F315 PolarHBondContact N-O 2.88Å; L307-F315 PolarHBondContact O-N 2.83Å; L307-I317 HydrophobicContact CB-CD1 4.08Å; L307-L345 HydrophobicContact CB-CD1 4.28Å; L307-L345 HydrophobicContact CD1-CD1 4.49Å
308I98.1Very high93Very high0 Ų027.1 Ų27.10%014%0.142CC..EExtended strand (participates in β ladder)trans-111.5108.6173.6-55.7159.3000107.2M306 V314 F331 L341 S342 K343 T344 L346M306-I308 HydrophobicContact CG-CG1 4.12Å; M306-I308 HydrophobicContact SD-CD1 4.25Å; M306-I308 HydrophobicContact SD-CG1 4.16Å; I308-V314 HydrophobicContact CG1-CG1 4.48Å; I308-V314 HydrophobicContact CG2-CG2 4.44Å; I308-F331 HydrophobicContact CD1-CB 4.23Å; I308-F331 HydrophobicContact CD1-CD1 3.63Å; I308-F331 HydrophobicContact CD1-CD2 3.66Å; I308-F331 HydrophobicContact CD1-CE1 3.83Å; I308-F331 HydrophobicContact CD1-CE2 3.84Å; I308-F331 HydrophobicContact CD1-CG 3.55Å; I308-F331 HydrophobicContact CD1-CZ 3.94Å; I308-F331 HydrophobicContact CG1-CD2 3.83Å; I308-F331 HydrophobicContact CG1-CE2 3.95Å; I308-F331 HydrophobicContact CG1-CG 4.21Å; I308-F331 HydrophobicContact CG1-CZ 4.44Å; I308-F331 HydrophobicContact CG2-CB 4.18Å; I308-F331 HydrophobicContact CG2-CD2 4.07Å; I308-F331 HydrophobicContact CG2-CG 4.31Å; I308-L341 HydrophobicContact CG2-CB 4.02Å; I308-L341 WeakPolarHBondContact CG2-O 3.48Å; I308-S342 CarbonylContact O-C 3.48Å; I308-S342 WeakPolarHBondContact O-CA 3.47Å; I308-K343 PolarHBondContact O-N 3.09Å; I308-T344 HydrophobicContact CD1-CG2 4.2Å; I308-T344 PolarHBondContact N-O 2.88Å; I308-T344 PolarHBondContact O-N 3.29Å; I308-L346 HydrophobicContact CD1-CD1 3.79Å
309N96.1Very high93Very high36 Ų3631.1 Ų31.119%0.19316%0.156CC..EExtended strand (participates in β ladder)trans-112.7-1.6-176.7-163.553.2000114.5M260 E313M260-N309 HydrophobicContact CE-CB 4.38Å; M260-N309 VanDerWaalsContact CE-OD1 3.31Å; M260-N309 WeakPolarHBondContact CE-OD1 3.29Å; N309-E313 HydrophobicContact CB-CB 4.11Å; N309-E313 PolarHBondContact N-O 3.38Å; N309-E313 PolarHBondContact ND2-OE2 2.88Å
310G94Very high93Very high13 Ų1333.6 Ų33.613%0.13417%0.169CC..EExtended strand (participates in β ladder)trans154.4-172.7177.900000111.5N312 E313 H340 L341G310-N312 PolarHBondContact O-N 2.83Å; G310-E313 PolarHBondContact O-N 2.84Å; G310-E313 VanDerWaalsContact O-N 3.11Å; G310-H340 VanDerWaalsContact C-ND1 3.32Å; G310-H340 PolarHBondContact O-CE1 3.09Å; G310-H340 VanDerWaalsContact O-CE1 3.24Å; G310-H340 PolarHBondContact O-ND1 2.91Å; G310-L341 WeakPolarHBondContact CA-O 3.24Å; G310-L341 PolarHBondContact N-O 2.81Å
311K91.6Very high93.5Very high169 Ų16930.4 Ų30.474%0.73515%0.152SC*.THydrogen-bonded Turntrans-63.5124.6177-173176.6-176.8177.70109.5E313 H340K311-E313 PolarHBondContact O-N 3Å; K311-E313 VanDerWaalsContact O-N 3.15Å; K311-H340 HydrophobicContact CB-CB 4.2Å
312N90.6Very high93.8Very high87 Ų8729.6 Ų29.647%0.46514%0.143SC..THydrogen-bonded Turntrans60.713.6-176.1-154.345000114.6G310 H325G310-N312 PolarHBondContact O-N 2.83Å; N312-H325 PolarHBondContact O-NE2 3.4Å
313E95.6Very high94.1Very high58 Ų5827.9 Ų27.927%0.27113%0.133SC..EExtended strand (participates in β ladder)trans-111.664.3171.8-71.2-150.8121.800109.4K253 N309 G310 K311 F315K253-E313 IonicContact NZ-OE1 3.61Å; K253-E313 PolarHBondContact NZ-OE1 3.36Å; N309-E313 HydrophobicContact CB-CB 4.11Å; N309-E313 PolarHBondContact N-O 3.38Å; N309-E313 PolarHBondContact ND2-OE2 2.88Å; G310-E313 PolarHBondContact O-N 2.84Å; G310-E313 VanDerWaalsContact O-N 3.11Å; K311-E313 PolarHBondContact O-N 3Å; K311-E313 VanDerWaalsContact O-N 3.15Å; E313-F315 HydrophobicContact CB-CE2 3.94Å; E313-F315 HydrophobicContact CB-CZ 4.42Å
314V97.8Very high94.3Very high0 Ų027.6 Ų27.60%013%0.132CC..EExtended strand (participates in β ladder)trans-111.7125.8174.7-177.10000108.5M306 L307 I308 I326 L329 F331M306-V314 HydrophobicContact CG-CG1 3.91Å; M306-V314 HydrophobicContact SD-CG1 4.04Å; L307-V314 WeakPolarHBondContact O-CA 3.49Å; I308-V314 HydrophobicContact CG1-CG1 4.48Å; I308-V314 HydrophobicContact CG2-CG2 4.44Å; V314-I326 HydrophobicContact CB-CB 4.29Å; V314-I326 HydrophobicContact CG1-CB 4.16Å; V314-I326 HydrophobicContact CG1-CG1 4.38Å; V314-I326 PolarHBondContact O-N 2.87Å; V314-L329 HydrophobicContact CG1-CD2 4.29Å; V314-F331 HydrophobicContact CG1-CE2 4.1Å; V314-F331 HydrophobicContact CG2-CD2 4.06Å; V314-F331 HydrophobicContact CG2-CE2 4.09Å
315F97.9Very high94.4Very high9 Ų929.2 Ų29.24%0.03914%0.139CC..EExtended strand (participates in β ladder)trans-128.1145.9-177.2-53.3-81.2000111.2V248 I257 M306 L307 E313 V323 F324 H325V248-F315 HydrophobicContact CG2-CD1 4.25Å; V248-F315 HydrophobicContact CG2-CE1 4.3Å; I257-F315 HydrophobicContact CD1-CD1 3.56Å; I257-F315 HydrophobicContact CD1-CD2 4.06Å; I257-F315 HydrophobicContact CD1-CE1 3.44Å; I257-F315 VanDerWaalsContact CD1-CE1 3.44Å; I257-F315 HydrophobicContact CD1-CE2 3.96Å; I257-F315 HydrophobicContact CD1-CG 3.87Å; I257-F315 HydrophobicContact CD1-CZ 3.66Å; I257-F315 HydrophobicContact CG1-CD2 4.21Å; I257-F315 HydrophobicContact CG1-CE2 4.2Å; I257-F315 HydrophobicContact CG1-CG 4.37Å; I257-F315 HydrophobicContact CG1-CZ 4.36Å; I257-F315 HydrophobicContact CG2-CB 4.13Å; I257-F315 HydrophobicContact CG2-CD2 4.45Å; I257-F315 HydrophobicContact CG2-CG 4.22Å; M306-F315 CarbonylContact C-O 3.57Å; M306-F315 VanDerWaalsContact CA-O 3.31Å; M306-F315 WeakPolarHBondContact CA-O 3.41Å; L307-F315 HydrophobicContact CB-CB 4.36Å; L307-F315 HydrophobicContact CD2-CD2 4.18Å; L307-F315 PolarHBondContact N-O 2.88Å; L307-F315 PolarHBondContact O-N 2.83Å; E313-F315 HydrophobicContact CB-CE2 3.94Å; E313-F315 HydrophobicContact CB-CZ 4.42Å; F315-V323 HydrophobicContact CB-CG1 4.08Å; F315-V323 HydrophobicContact CD1-CG1 4.15Å; F315-V323 HydrophobicContact CG-CG1 4.43Å; F315-F324 CarbonylContact C-O 3.57Å; F315-F324 WeakPolarHBondContact CA-O 3.31Å; F315-H325 HydrophobicContact CD1-CB 4.01Å; F315-H325 HydrophobicContact CE1-CB 3.96Å; F315-H325 AromaticContact CE1-CD2 3.66Å
316M97.6Very high94.3Very high0 Ų029.2 Ų29.20%014%0.139CC..EExtended strand (participates in β ladder)trans-118.1132176.3-68.3-78.5-85.800108.9F236 Y304 M305 M306 V323 F324 I326 M350 Y363 F412F236-M316 HydrophobicContact CE2-CB 3.92Å; F236-M316 HydrophobicContact CE2-CE 4.33Å; F236-M316 HydrophobicContact CE2-CG 4.16Å; F236-M316 HydrophobicContact CZ-CE 4.19Å; F236-M316 HydrophobicContact CZ-CG 4.42Å; Y304-M316 HydrophobicContact CD1-CB 3.8Å; Y304-M316 HydrophobicContact CD1-CE 4.3Å; Y304-M316 HydrophobicContact CD2-CE 3.99Å; Y304-M316 HydrophobicContact CE1-CB 4.32Å; Y304-M316 HydrophobicContact CG-CB 4.34Å; Y304-M316 HydrophobicContact CG-CE 3.65Å; M305-M316 CarbonylContact O-C 3.47Å; M305-M316 VanDerWaalsContact O-CA 3.3Å; M305-M316 WeakPolarHBondContact O-CA 3.45Å; M306-M316 HydrophobicContact CB-SD 3.61Å; M306-M316 HydrophobicContact CE-CE 4.31Å; M306-M316 HydrophobicContact CE-CG 4.48Å; M306-M316 HydrophobicContact CE-SD 3.46Å; M306-M316 WeakPolarHBondContact CE-SD 3.34Å; M306-M316 HydrophobicContact CG-SD 3.86Å; M316-V323 CarbonylContact O-C 3.55Å; M316-V323 WeakPolarHBondContact O-CA 3.05Å; M316-F324 HydrophobicContact CB-CB 4.34Å; M316-F324 PolarHBondContact N-O 3.33Å; M316-F324 PolarHBondContact O-N 2.99Å; M316-I326 HydrophobicContact CB-CD1 4.24Å; M316-I326 HydrophobicContact CB-CG1 4.38Å; M316-I326 HydrophobicContact CG-CD1 3.71Å; M316-I326 HydrophobicContact CG-CG1 3.56Å; M316-M350 HydrophobicContact CE-CE 3.62Å; M316-Y363 HydrophobicContact CE-CD2 3.6Å; M316-Y363 HydrophobicContact CE-CE2 3.69Å; M316-Y363 HydrophobicContact CE-CG 4.14Å; M316-Y363 HydrophobicContact SD-CE2 4.26Å; M316-F412 HydrophobicContact CE-CZ 4.35Å
317I95.8Very high94.1Very high1 Ų130.2 Ų30.21%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-119.7121.1-176-53.686.5000108.8C261 F272 Y304 M305 L307 N321 S322 V323C261-I317 WeakPolarHBondContact SG-CD1 3.04Å; F272-I317 HydrophobicContact CD2-CG2 4.19Å; Y304-I317 CarbonylContact C-O 3.44Å; Y304-I317 VanDerWaalsContact CA-O 3.29Å; Y304-I317 WeakPolarHBondContact CA-O 3.3Å; M305-I317 PolarHBondContact N-O 3.15Å; M305-I317 WeakPolarHBondContact O-CD1 3.42Å; M305-I317 PolarHBondContact O-N 3Å; L307-I317 HydrophobicContact CB-CD1 4.08Å; I317-N321 WeakPolarHBondContact CG2-OD1 3.42Å; I317-S322 WeakPolarHBondContact CA-O 3.47Å; I317-V323 HydrophobicContact CG1-CG2 4.15Å
318D92.4Very high93.7Very high12 Ų1235.6 Ų35.66%0.06418%0.176CC..  trans-86.9179.217972.513000112.9F272 Y304 D320 N321 S322F272-D318 WeakPolarHBondContact CD2-O 3.21Å; Y304-D318 HydrophobicContact CD1-CB 4.01Å; Y304-D318 HydrophobicContact CE1-CB 3.54Å; D318-D320 PolarHBondContact O-N 3.15Å; D318-D320 VanDerWaalsContact OD1-C 3.27Å; D318-D320 VanDerWaalsContact OD1-CA 3.31Å; D318-D320 WeakPolarHBondContact OD1-CA 3.45Å; D318-D320 WeakPolarHBondContact OD1-CB 3.34Å; D318-D320 PolarHBondContact OD1-N 2.63Å; D318-N321 PolarHBondContact O-N 3.31Å; D318-N321 PolarHBondContact OD1-N 2.96Å; D318-S322 PolarHBondContact N-O 3.29Å; D318-S322 VanDerWaalsContact N-O 3.11Å; D318-S322 WeakPolarHBondContact OD1-CB 3.47Å; D318-S322 PolarHBondContact OD1-N 2.98Å; D318-S322 PolarHBondContact OD1-OG 3.47Å; D318-S322 VanDerWaalsContact OD2-CB 3.24Å; D318-S322 WeakPolarHBondContact OD2-CB 3.45Å; D318-S322 PolarHBondContact OD2-OG 3.3Å; D318-S322 VanDerWaalsContact OD2-OG 3.07Å
319R86.6Confident93.5Very high122 Ų12235.8 Ų35.846%0.4618%0.177SC..THydrogen-bonded Turntrans-62.9-26.5177.7-67.2177.5179.8-102.8-1.2113.9F272 R303 N321F272-R319 WeakPolarHBondContact CB-O 3.25Å; R303-R319 HydrophobicContact CB-CG 4.34Å; R319-N321 PolarHBondContact O-N 3.11Å
320D83.9Confident93.5Very high52 Ų5236.1 Ų36.128%0.27818%0.178SC..THydrogen-bonded Turntrans-85.66.1177.1-71.4-18.1000111.6K231 D318 S322 S538K231-D320 HydrophobicContact CD-CB 4.24Å; K231-D320 IonicContact NZ-OD2 3.66Å; K231-D320 PolarHBondContact NZ-OD2 3.11Å; D318-D320 PolarHBondContact O-N 3.15Å; D318-D320 VanDerWaalsContact OD1-C 3.27Å; D318-D320 VanDerWaalsContact OD1-CA 3.31Å; D318-D320 WeakPolarHBondContact OD1-CA 3.45Å; D318-D320 WeakPolarHBondContact OD1-CB 3.34Å; D318-D320 PolarHBondContact OD1-N 2.63Å; D320-S322 PolarHBondContact O-N 3.18Å; D320-S538 PolarHBondContact OD2-OG 3.28Å
321N89Confident93.6Very high6 Ų635.6 Ų35.63%0.03217%0.171CC..  trans63.321.4-175.7-152.426.7000113.7E228 Q258 I317 D318 R319E228-N321 PolarHBondContact OE1-ND2 2.79Å; E228-N321 PolarHBondContact OE2-ND2 3.24Å; Q258-N321 PolarHBondContact NE2-O 3.16Å; I317-N321 WeakPolarHBondContact CG2-OD1 3.42Å; D318-N321 PolarHBondContact O-N 3.31Å; D318-N321 PolarHBondContact OD1-N 2.96Å; R319-N321 PolarHBondContact O-N 3.11Å
322S91.3Very high93.8Very high7 Ų727.6 Ų27.65%0.04914%0.137CC..  trans-72.5138170.8-42.20000109.5I317 D318 D320I317-S322 WeakPolarHBondContact CA-O 3.47Å; D318-S322 PolarHBondContact N-O 3.29Å; D318-S322 VanDerWaalsContact N-O 3.11Å; D318-S322 WeakPolarHBondContact OD1-CB 3.47Å; D318-S322 PolarHBondContact OD1-N 2.98Å; D318-S322 PolarHBondContact OD1-OG 3.47Å; D318-S322 VanDerWaalsContact OD2-CB 3.24Å; D318-S322 WeakPolarHBondContact OD2-CB 3.45Å; D318-S322 PolarHBondContact OD2-OG 3.3Å; D318-S322 VanDerWaalsContact OD2-OG 3.07Å; D320-S322 PolarHBondContact O-N 3.18Å
323V95.2Very high94.1Very high1 Ų125.9 Ų25.91%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-110133.5-177.7-179.20000110.3V248 L254 I257 Q258 F315 M316 I317V248-V323 HydrophobicContact CB-CB 4.27Å; V248-V323 HydrophobicContact CB-CG1 4.12Å; V248-V323 HydrophobicContact CG2-CG1 4.1Å; V248-V323 PolarHBondContact N-O 3.2Å; L254-V323 HydrophobicContact CD1-CB 3.6Å; L254-V323 HydrophobicContact CD1-CG2 3.42Å; L254-V323 VanDerWaalsContact CD1-CG2 3.42Å; I257-V323 HydrophobicContact CB-CG1 4.36Å; I257-V323 HydrophobicContact CD1-CG1 4.07Å; I257-V323 HydrophobicContact CG2-CG1 3.7Å; I257-V323 HydrophobicContact CG2-CG2 4.17Å; Q258-V323 HydrophobicContact CG-CG2 3.8Å; F315-V323 HydrophobicContact CB-CG1 4.08Å; F315-V323 HydrophobicContact CD1-CG1 4.15Å; F315-V323 HydrophobicContact CG-CG1 4.43Å; M316-V323 CarbonylContact O-C 3.55Å; M316-V323 WeakPolarHBondContact O-CA 3.05Å; I317-V323 HydrophobicContact CG1-CG2 4.15Å
324F96.2Very high94Very high4 Ų428.6 Ų28.62%0.01813%0.133CC..EExtended strand (participates in β ladder)trans-122.2128.2176.3-58.7-91.7000110.1A234 F236 V245 T246 Q247 Y304 F315 M316 I326A234-F324 HydrophobicContact CB-CE1 4.25Å; A234-F324 HydrophobicContact CB-CE2 4.49Å; A234-F324 HydrophobicContact CB-CZ 3.62Å; A234-F324 WeakPolarHBondContact O-CE1 3.47Å; F236-F324 HydrophobicContact CB-CD1 3.99Å; F236-F324 HydrophobicContact CB-CE1 3.87Å; F236-F324 HydrophobicContact CB-CZ 4.33Å; F236-F324 HydrophobicContact CD2-CB 3.99Å; F236-F324 AromaticContact CD2-CD1 3.96Å; F236-F324 HydrophobicContact CD2-CD1 3.96Å; F236-F324 AromaticContact CD2-CD2 3.85Å; F236-F324 HydrophobicContact CD2-CD2 3.85Å; F236-F324 HydrophobicContact CD2-CE1 4.37Å; F236-F324 HydrophobicContact CD2-CE2 4.28Å; F236-F324 AromaticContact CD2-CG 3.66Å; F236-F324 HydrophobicContact CD2-CG 3.66Å; F236-F324 HydrophobicContact CE2-CB 4.26Å; F236-F324 HydrophobicContact CE2-CD2 4.47Å; F236-F324 HydrophobicContact CE2-CG 4.35Å; F236-F324 HydrophobicContact CG-CD1 4.4Å; V245-F324 HydrophobicContact CG1-CB 3.98Å; V245-F324 HydrophobicContact CG1-CD1 4.21Å; V245-F324 HydrophobicContact CG1-CG 4.45Å; T246-F324 CarbonylContact O-C 3.47Å; T246-F324 VanDerWaalsContact O-CA 3.29Å; T246-F324 WeakPolarHBondContact O-CA 3.5Å; Q247-F324 HydrophobicContact CB-CD1 4.03Å; Q247-F324 HydrophobicContact CB-CE1 4.04Å; Q247-F324 HydrophobicContact CG-CD1 4.29Å; Q247-F324 HydrophobicContact CG-CE1 4.09Å; Y304-F324 AromaticContact CE1-CD2 3.83Å; Y304-F324 HydrophobicContact CE1-CD2 3.83Å; Y304-F324 AromaticContact CE1-CE2 3.88Å; Y304-F324 HydrophobicContact CE1-CE2 3.88Å; F315-F324 CarbonylContact C-O 3.57Å; F315-F324 WeakPolarHBondContact CA-O 3.31Å; M316-F324 HydrophobicContact CB-CB 4.34Å; M316-F324 PolarHBondContact N-O 3.33Å; M316-F324 PolarHBondContact O-N 2.99Å; F324-I326 HydrophobicContact CB-CD1 4.34Å
325H97.1Very high93.8Very high35 Ų3536.6 Ų36.616%0.16217%0.168CC..EExtended strand (participates in β ladder)trans-82136.6169.8172.2-103.3000110.2V245 T246 V248 N312 F315V245-H325 WeakPolarHBondContact CA-O 3.03Å; T246-H325 PolarHBondContact N-O 3.14Å; T246-H325 PolarHBondContact O-N 3.34Å; V248-H325 HydrophobicContact CG2-CB 3.82Å; N312-H325 PolarHBondContact O-NE2 3.4Å; F315-H325 HydrophobicContact CD1-CB 4.01Å; F315-H325 HydrophobicContact CE1-CB 3.96Å; F315-H325 AromaticContact CE1-CD2 3.66Å
326I96.6Very high93.5Very high0 Ų038.4 Ų38.40%018%0.178CC..EExtended strand (participates in β ladder)trans-116.4107.6-177.8-45.7-58.4000108.9F236 V245 V314 M316 F324 L329 P411 F412F236-I326 HydrophobicContact CE2-CD1 4.07Å; F236-I326 HydrophobicContact CZ-CD1 3.98Å; V245-I326 HydrophobicContact CB-CD1 4.24Å; V245-I326 HydrophobicContact CG1-CD1 3.69Å; V245-I326 HydrophobicContact CG2-CD1 3.79Å; V314-I326 HydrophobicContact CB-CB 4.29Å; V314-I326 HydrophobicContact CG1-CB 4.16Å; V314-I326 HydrophobicContact CG1-CG1 4.38Å; V314-I326 PolarHBondContact O-N 2.87Å; M316-I326 HydrophobicContact CB-CD1 4.24Å; M316-I326 HydrophobicContact CB-CG1 4.38Å; M316-I326 HydrophobicContact CG-CD1 3.71Å; M316-I326 HydrophobicContact CG-CG1 3.56Å; F324-I326 HydrophobicContact CB-CD1 4.34Å; I326-L329 HydrophobicContact CG2-CB 3.89Å; I326-L329 HydrophobicContact CG2-CD2 3.96Å; I326-P411 HydrophobicContact CG2-CB 4.39Å; I326-P411 HydrophobicContact CG2-CG 3.47Å; I326-P411 VanDerWaalsContact CG2-CG 3.47Å; I326-F412 HydrophobicContact CD1-CE1 4.12Å; I326-F412 HydrophobicContact CD1-CZ 4.45Å; I326-F412 HydrophobicContact CG1-CE1 4.44Å; I326-F412 HydrophobicContact CG1-CZ 4.35Å; I326-F412 HydrophobicContact CG2-CE1 3.73Å; I326-F412 HydrophobicContact CG2-CZ 3.84Å
327A93.8Very high93.3Very high21 Ų2139.6 Ų39.617%0.17418%0.184CC..THydrogen-bonded Turntrans-78.1153.1175.600000111.5G244 L329 P411G244-A327 WeakPolarHBondContact O-CB 3.17Å; G244-A327 PolarHBondContact O-N 3.43Å; A327-L329 PolarHBondContact O-N 3.09Å; A327-L329 VanDerWaalsContact O-N 3.13Å; A327-P411 WeakPolarHBondContact O-CD 3.45Å
328N91.2Very high93.1Very high114 Ų11449.3 Ų49.361%0.6122%0.221SC*.THydrogen-bonded Turntrans57.724.8172.3-53.8-38.7000115.3
329L94.1Very high93.2Very high5 Ų552 Ų523%0.02624%0.238CC..  trans-107117.8172.3-166.465.8000109.6M306 V314 I326 A327 F331 E410 P411 F412 V414M306-L329 HydrophobicContact CE-CD2 3.82Å; M306-L329 HydrophobicContact SD-CD2 4.45Å; V314-L329 HydrophobicContact CG1-CD2 4.29Å; I326-L329 HydrophobicContact CG2-CB 3.89Å; I326-L329 HydrophobicContact CG2-CD2 3.96Å; A327-L329 PolarHBondContact O-N 3.09Å; A327-L329 VanDerWaalsContact O-N 3.13Å; L329-F331 HydrophobicContact CD2-CE2 3.74Å; L329-F331 HydrophobicContact CD2-CZ 3.87Å; L329-F331 HydrophobicContact CG-CE2 3.71Å; L329-F331 HydrophobicContact CG-CZ 4.06Å; L329-E410 HydrophobicContact CD1-CB 4.32Å; L329-E410 HydrophobicContact CD1-CG 4.36Å; L329-P411 HydrophobicContact CB-CG 4.34Å; L329-F412 HydrophobicContact CD2-CE2 3.63Å; L329-F412 HydrophobicContact CD2-CZ 3.73Å; L329-V414 HydrophobicContact CD1-CG2 4.06Å; L329-V414 HydrophobicContact CD2-CG2 4.07Å
330E94.2Very high93.6Very high43 Ų4347.5 Ų47.520%0.20122%0.222CC..  trans-109.8138.1-172.6-155.9-176.3177.800112.9H340 R396 K399 I405E330-H340 WeakPolarHBondContact CA-NE2 3.28Å; E330-H340 VanDerWaalsContact CG-CD2 3.45Å; E330-H340 WeakPolarHBondContact CG-CD2 3.37Å; E330-R396 WeakPolarHBondContact O-CD 3.35Å; E330-R396 PolarHBondContact O-NE 2.97Å; E330-K399 VanDerWaalsContact CD-NZ 3.27Å; E330-K399 IonicContact OE1-NZ 2.8Å; E330-K399 PolarHBondContact OE1-NZ 3.35Å; E330-K399 IonicContact OE2-NZ 3.2Å; E330-K399 PolarHBondContact OE2-NZ 3.27Å; E330-I405 HydrophobicContact CB-CD1 4.09Å; E330-I405 HydrophobicContact CB-CG1 4.41Å
331F96.8Very high94.3Very high1 Ų145 Ų450%0.00421%0.209CC..  trans-127.692.8176.6-66.4-85.6000110.1M306 I308 V314 L329 H340 L341 I392 V414M306-F331 HydrophobicContact CE-CZ 4.21Å; M306-F331 HydrophobicContact SD-CE1 4.24Å; M306-F331 HydrophobicContact SD-CE2 3.75Å; M306-F331 HydrophobicContact SD-CZ 3.34Å; M306-F331 WeakPolarHBondContact SD-CZ 3.44Å; I308-F331 HydrophobicContact CD1-CB 4.23Å; I308-F331 HydrophobicContact CD1-CD1 3.63Å; I308-F331 HydrophobicContact CD1-CD2 3.66Å; I308-F331 HydrophobicContact CD1-CE1 3.83Å; I308-F331 HydrophobicContact CD1-CE2 3.84Å; I308-F331 HydrophobicContact CD1-CG 3.55Å; I308-F331 HydrophobicContact CD1-CZ 3.94Å; I308-F331 HydrophobicContact CG1-CD2 3.83Å; I308-F331 HydrophobicContact CG1-CE2 3.95Å; I308-F331 HydrophobicContact CG1-CG 4.21Å; I308-F331 HydrophobicContact CG1-CZ 4.44Å; I308-F331 HydrophobicContact CG2-CB 4.18Å; I308-F331 HydrophobicContact CG2-CD2 4.07Å; I308-F331 HydrophobicContact CG2-CG 4.31Å; V314-F331 HydrophobicContact CG1-CE2 4.1Å; V314-F331 HydrophobicContact CG2-CD2 4.06Å; V314-F331 HydrophobicContact CG2-CE2 4.09Å; L329-F331 HydrophobicContact CD2-CE2 3.74Å; L329-F331 HydrophobicContact CD2-CZ 3.87Å; L329-F331 HydrophobicContact CG-CE2 3.71Å; L329-F331 HydrophobicContact CG-CZ 4.06Å; F331-H340 PolarHBondContact N-NE2 2.77Å; F331-H340 CarbonylContact O-C 3.52Å; F331-H340 WeakPolarHBondContact O-CA 3.27Å; F331-L341 HydrophobicContact CB-CB 4.17Å; F331-L341 HydrophobicContact CB-CD1 4.04Å; F331-L341 HydrophobicContact CB-CG 4.17Å; F331-L341 PolarHBondContact O-N 2.75Å; F331-I392 HydrophobicContact CD1-CG2 3.85Å; F331-I392 HydrophobicContact CE1-CG2 3.87Å; F331-V414 HydrophobicContact CE1-CG1 4.41Å; F331-V414 HydrophobicContact CZ-CG2 4.25Å
332P96.4Very high94.6Very high1 Ų146.9 Ų46.91%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-75.5148.6179.629.1-29.6000111.7L337 V339 P395 R396 K399P332-L337 HydrophobicContact CB-CB 4.41Å; P332-L337 HydrophobicContact CB-CD2 4.06Å; P332-L337 HydrophobicContact CG-CD2 4.36Å; P332-V339 CarbonylContact C-O 3.53Å; P332-V339 WeakPolarHBondContact CA-O 3.12Å; P332-P395 HydrophobicContact CG-CB 3.9Å; P332-P395 WeakPolarHBondContact CG-O 3.47Å; P332-P395 WeakPolarHBondContact O-CB 3.04Å; P332-R396 HydrophobicContact CG-CG 4.26Å; P332-K399 HydrophobicContact CB-CD 3.91Å; P332-K399 HydrophobicContact CG-CB 4.21Å; P332-K399 HydrophobicContact CG-CD 3.95Å
333F96.1Very high94.9Very high51 Ų5152.1 Ų52.122%0.22424%0.244CC..EExtended strand (participates in β ladder)trans-78.8131.6173.8-178.2-127.2000110.6K335 D336 L337 V339 L341 F371F333-K335 VanDerWaalsContact C-N 3.25Å; F333-K335 HydrophobicContact CD1-CB 4.01Å; F333-K335 HydrophobicContact CE1-CB 3.59Å; F333-K335 HydrophobicContact CE1-CD 4.06Å; F333-K335 HydrophobicContact CE1-CG 3.94Å; F333-K335 HydrophobicContact CZ-CB 4.21Å; F333-K335 HydrophobicContact CZ-CD 4.02Å; F333-K335 HydrophobicContact CZ-CG 4.03Å; F333-K335 PolarHBondContact O-N 2.91Å; F333-K335 VanDerWaalsContact O-N 3.11Å; F333-D336 CarbonylContact O-C 3.55Å; F333-D336 PolarHBondContact O-N 3.44Å; F333-L337 PolarHBondContact O-N 3.49Å; F333-V339 HydrophobicContact CB-CB 4.16Å; F333-V339 HydrophobicContact CB-CG1 4.29Å; F333-V339 PolarHBondContact N-O 3.26Å; F333-L341 HydrophobicContact CB-CD2 4.04Å; F333-L341 HydrophobicContact CD2-CD2 3.72Å; F333-L341 HydrophobicContact CG-CD2 4.35Å; F333-F371 HydrophobicContact CD2-CZ 4.46Å; F333-F371 HydrophobicContact CE2-CZ 4.22Å
334R94.3Very high95Very high116 Ų11652 Ų5244%0.43824%0.243SC..THydrogen-bonded Turntrans-54.1-36.7-174.4-174.1176.76797.5-7.2114.5K390 E391 P395R334-K390 WeakPolarHBondContact CD-O 3.48Å; R334-E391 VanDerWaalsContact CB-OE2 3.24Å; R334-E391 WeakPolarHBondContact CB-OE2 3.47Å; R334-E391 IonicContact CZ-OE1 2.8Å; R334-E391 VanDerWaalsContact NE-CD 3.34Å; R334-E391 IonicContact NE-OE1 3.94Å; R334-E391 PolarHBondContact NE-OE1 2.97Å; R334-E391 IonicContact NE-OE2 2.71Å; R334-E391 PolarHBondContact NE-OE2 2.96Å; R334-E391 IonicContact NH2-OE1 3.82Å; R334-E391 PolarHBondContact NH2-OE1 3.47Å; R334-P395 HydrophobicContact CB-CG 3.7Å; R334-P395 HydrophobicContact CG-CG 4.11Å
335K92.6Very high95.1Very high168 Ų16851.9 Ų51.973%0.7324%0.243SC*.THydrogen-bonded Turntrans-82.7-21.7-178.1-56.6-175.8178.8-178.80113.4F333F333-K335 VanDerWaalsContact C-N 3.25Å; F333-K335 HydrophobicContact CD1-CB 4.01Å; F333-K335 HydrophobicContact CE1-CB 3.59Å; F333-K335 HydrophobicContact CE1-CD 4.06Å; F333-K335 HydrophobicContact CE1-CG 3.94Å; F333-K335 HydrophobicContact CZ-CB 4.21Å; F333-K335 HydrophobicContact CZ-CD 4.02Å; F333-K335 HydrophobicContact CZ-CG 4.03Å; F333-K335 PolarHBondContact O-N 2.91Å; F333-K335 VanDerWaalsContact O-N 3.11Å
336D93.1Very high95.2Very high46 Ų4650.2 Ų50.225%0.24624%0.235CC..EExtended strand (participates in β ladder)trans-149.5102.9176.4-172.7-17.2000109.5F333 R338 V339F333-D336 CarbonylContact O-C 3.55Å; F333-D336 PolarHBondContact O-N 3.44Å; D336-R338 PolarHBondContact O-N 3.06Å; D336-R338 VanDerWaalsContact OD1-CB 3.29Å; D336-R338 WeakPolarHBondContact OD1-CB 3.25Å; D336-R338 IonicContact OD1-CZ 3.7Å; D336-R338 PolarHBondContact OD1-N 2.99Å; D336-R338 IonicContact OD1-NE 2.91Å; D336-R338 PolarHBondContact OD1-NE 3.23Å; D336-R338 IonicContact OD1-NH2 3.59Å; D336-R338 IonicContact OD2-CZ 3.52Å; D336-R338 IonicContact OD2-NE 3.43Å; D336-R338 PolarHBondContact OD2-NE 3.44Å; D336-R338 IonicContact OD2-NH2 2.77Å; D336-R338 PolarHBondContact OD2-NH2 3.4Å; D336-V339 HydrophobicContact CB-CB 4.39Å; D336-V339 HydrophobicContact CB-CG2 3.97Å; D336-V339 PolarHBondContact O-N 3.13Å
337L92.8Very high95.2Very high26 Ų2650.2 Ų50.214%0.13624%0.235CC..EExtended strand (participates in β ladder)trans-65.6-10.4-175.5-59.7179.6000113.9P332 F333 P395 E398 K399 L402P332-L337 HydrophobicContact CB-CB 4.41Å; P332-L337 HydrophobicContact CB-CD2 4.06Å; P332-L337 HydrophobicContact CG-CD2 4.36Å; F333-L337 PolarHBondContact O-N 3.49Å; L337-P395 HydrophobicContact CD2-CB 4.04Å; L337-E398 HydrophobicContact CD1-CG 3.94Å; L337-K399 HydrophobicContact CB-CD 4.49Å; L337-K399 PolarHBondContact O-NZ 3.32Å; L337-L402 HydrophobicContact CD1-CD1 3.91Å
338R91.8Very high95.3Very high204 Ų20449.2 Ų49.277%0.7723%0.227SC*.EExtended strand (participates in β ladder)trans-81.8-23.3174.2-56.9169-64.3-179.65.3111.8D336D336-R338 PolarHBondContact O-N 3.06Å; D336-R338 VanDerWaalsContact OD1-CB 3.29Å; D336-R338 WeakPolarHBondContact OD1-CB 3.25Å; D336-R338 IonicContact OD1-CZ 3.7Å; D336-R338 PolarHBondContact OD1-N 2.99Å; D336-R338 IonicContact OD1-NE 2.91Å; D336-R338 PolarHBondContact OD1-NE 3.23Å; D336-R338 IonicContact OD1-NH2 3.59Å; D336-R338 IonicContact OD2-CZ 3.52Å; D336-R338 IonicContact OD2-NE 3.43Å; D336-R338 PolarHBondContact OD2-NE 3.44Å; D336-R338 IonicContact OD2-NH2 2.77Å; D336-R338 PolarHBondContact OD2-NH2 3.4Å
339V94.6Very high95.4Very high70 Ų7044.7 Ų44.742%0.42420%0.202SC..EExtended strand (participates in β ladder)trans-88132.9-179.7179.60000109P332 F333 D336P332-V339 CarbonylContact C-O 3.53Å; P332-V339 WeakPolarHBondContact CA-O 3.12Å; F333-V339 HydrophobicContact CB-CB 4.16Å; F333-V339 HydrophobicContact CB-CG1 4.29Å; F333-V339 PolarHBondContact N-O 3.26Å; D336-V339 HydrophobicContact CB-CB 4.39Å; D336-V339 HydrophobicContact CB-CG2 3.97Å; D336-V339 PolarHBondContact O-N 3.13Å
340H95.3Very high95.4Very high26 Ų2644.5 Ų44.512%0.1220%0.201CC..EExtended strand (participates in β ladder)trans-88.5145.1175.3-157.1-83000110.7G310 K311 E330 F331G310-H340 VanDerWaalsContact C-ND1 3.32Å; G310-H340 PolarHBondContact O-CE1 3.09Å; G310-H340 VanDerWaalsContact O-CE1 3.24Å; G310-H340 PolarHBondContact O-ND1 2.91Å; K311-H340 HydrophobicContact CB-CB 4.2Å; E330-H340 WeakPolarHBondContact CA-NE2 3.28Å; E330-H340 VanDerWaalsContact CG-CD2 3.45Å; E330-H340 WeakPolarHBondContact CG-CD2 3.37Å; F331-H340 PolarHBondContact N-NE2 2.77Å; F331-H340 CarbonylContact O-C 3.52Å; F331-H340 WeakPolarHBondContact O-CA 3.27Å
341L96.9Very high95.2Very high1 Ų142.6 Ų42.61%0.00519%0.192CC..PPolyproline II helixtrans-61.2150.5171.6-64-175.6000110.9I308 G310 F331 F333 F371 N372 I392I308-L341 HydrophobicContact CG2-CB 4.02Å; I308-L341 WeakPolarHBondContact CG2-O 3.48Å; G310-L341 WeakPolarHBondContact CA-O 3.24Å; G310-L341 PolarHBondContact N-O 2.81Å; F331-L341 HydrophobicContact CB-CB 4.17Å; F331-L341 HydrophobicContact CB-CD1 4.04Å; F331-L341 HydrophobicContact CB-CG 4.17Å; F331-L341 PolarHBondContact O-N 2.75Å; F333-L341 HydrophobicContact CB-CD2 4.04Å; F333-L341 HydrophobicContact CD2-CD2 3.72Å; F333-L341 HydrophobicContact CG-CD2 4.35Å; L341-F371 HydrophobicContact CD1-CE2 4.11Å; L341-F371 HydrophobicContact CD2-CE2 3.81Å; L341-F371 HydrophobicContact CD2-CZ 4.29Å; L341-N372 WeakPolarHBondContact CD2-ND2 3.31Å; L341-I392 HydrophobicContact CD1-CD1 3.43Å; L341-I392 VanDerWaalsContact CD1-CD1 3.43Å
342S96.6Very high94.9Very high44 Ų4445.4 Ų45.431%0.30821%0.207SC..  trans-138170174.566.40000109.8I308 T344 N372I308-S342 CarbonylContact O-C 3.48Å; I308-S342 WeakPolarHBondContact O-CA 3.47Å; S342-T344 PolarHBondContact O-N 2.84Å; S342-T344 PolarHBondContact O-OG1 2.81Å; S342-N372 PolarHBondContact N-OD1 3.49Å; S342-N372 VanDerWaalsContact N-OD1 3.1Å; S342-N372 VanDerWaalsContact O-CA 3.27Å; S342-N372 WeakPolarHBondContact O-CA 3.38Å; S342-N372 PolarHBondContact O-N 3.33Å; S342-N372 PolarHBondContact O-OD1 3.07Å
343K96.7Very high94.4Very high117 Ų11745.6 Ų45.651%0.50921%0.207SC..SBendtrans42.241.8174.7-58.2-178.4-177.9179.80114.1M264 I308 N372 G373M264-K343 HydrophobicContact CE-CB 4.06Å; M264-K343 HydrophobicContact CE-CG 4.45Å; I308-K343 PolarHBondContact O-N 3.09Å; K343-N372 PolarHBondContact O-N 3.11Å; K343-G373 PolarHBondContact O-N 2.64Å
344T98.4Very high93.8Very high0 Ų050.5 Ų50.50%023%0.229CC..EExtended strand (participates in β ladder)trans-119.1131.1-175.3-63.80000108.9I308 S342 L346 I368 K370 F371 N372 I392I308-T344 HydrophobicContact CD1-CG2 4.2Å; I308-T344 PolarHBondContact N-O 2.88Å; I308-T344 PolarHBondContact O-N 3.29Å; S342-T344 PolarHBondContact O-N 2.84Å; S342-T344 PolarHBondContact O-OG1 2.81Å; T344-L346 HydrophobicContact CG2-CD2 4.25Å; T344-L346 HydrophobicContact CG2-CG 4.33Å; T344-I368 HydrophobicContact CG2-CD1 4.45Å; T344-K370 CarbonylContact C-O 3.58Å; T344-K370 VanDerWaalsContact CA-O 3.27Å; T344-K370 WeakPolarHBondContact CA-O 3.32Å; T344-K370 WeakPolarHBondContact CG2-O 3.25Å; T344-F371 HydrophobicContact CG2-CD2 4.39Å; T344-N372 PolarHBondContact OG1-N 2.83Å; T344-I392 HydrophobicContact CG2-CD1 4.1Å
345L98.4Very high93.2Very high0 Ų047.5 Ų47.50%022%0.223CC..EExtended strand (participates in β ladder)trans-127.7120.2-177.3-175.665.1000109.9M264 A265 M305 M306 L307 I369 K370M264-L345 HydrophobicContact CB-CB 4.34Å; M264-L345 HydrophobicContact CB-CD2 3.69Å; M264-L345 HydrophobicContact SD-CB 3.97Å; A265-L345 HydrophobicContact CB-CD2 4.26Å; M305-L345 HydrophobicContact CB-CD1 4.29Å; M305-L345 HydrophobicContact CE-CD1 4.12Å; M305-L345 HydrophobicContact CE-CD2 3.66Å; M305-L345 HydrophobicContact CE-CG 3.83Å; M306-L345 WeakPolarHBondContact O-CA 3.47Å; L307-L345 HydrophobicContact CB-CD1 4.28Å; L307-L345 HydrophobicContact CD1-CD1 4.49Å; L345-I369 HydrophobicContact CB-CB 4.35Å; L345-I369 HydrophobicContact CD2-CB 4.18Å; L345-I369 HydrophobicContact CD2-CG2 4.28Å; L345-I369 HydrophobicContact CG-CB 4.33Å; L345-I369 HydrophobicContact CG-CD1 4.35Å; L345-I369 PolarHBondContact O-N 3.04Å; L345-K370 HydrophobicContact CB-CB 4.18Å; L345-K370 PolarHBondContact N-O 3.17Å; L345-K370 PolarHBondContact O-N 2.92Å
346L98.3Very high92.7Very high0 Ų047.2 Ų47.20%023%0.23CC..EExtended strand (participates in β ladder)trans-114.3148.9-177.6-54.6171.9000110.2M305 M306 I308 T344 I365 I368 I392M305-L346 CarbonylContact C-O 3.49Å; M305-L346 WeakPolarHBondContact CA-O 3.4Å; M306-L346 HydrophobicContact CB-CB 4.25Å; M306-L346 PolarHBondContact N-O 3.49Å; M306-L346 PolarHBondContact O-N 2.89Å; M306-L346 HydrophobicContact SD-CD1 4.32Å; I308-L346 HydrophobicContact CD1-CD1 3.79Å; T344-L346 HydrophobicContact CG2-CD2 4.25Å; T344-L346 HydrophobicContact CG2-CG 4.33Å; L346-I365 HydrophobicContact CB-CG2 4.19Å; L346-I365 HydrophobicContact CD1-CD1 3.79Å; L346-I365 HydrophobicContact CD1-CG1 4.24Å; L346-I365 HydrophobicContact CD2-CG2 4.23Å; L346-I368 HydrophobicContact CD2-CB 3.82Å; L346-I368 HydrophobicContact CD2-CD1 3.61Å; L346-I368 HydrophobicContact CD2-CG1 3.65Å; L346-I392 HydrophobicContact CD1-CG2 4.2Å; L346-I392 HydrophobicContact CD2-CD1 4.43Å; L346-I392 HydrophobicContact CD2-CG1 4.22Å
347D97.7Very high92Very high0 Ų048.2 Ų48.20%025%0.25CS..EExtended strand (participates in β ladder)trans-112.7135.8170.6-153.5-25000109.3R303 Y366 D367 I369 Y452R303-D347 IonicContact CZ-OD1 3.44Å; R303-D347 IonicContact CZ-OD2 2.81Å; R303-D347 IonicContact NE-OD1 2.67Å; R303-D347 PolarHBondContact NE-OD1 2.88Å; R303-D347 IonicContact NE-OD2 3.02Å; R303-D347 IonicContact NH2-OD1 3.39Å; R303-D347 PolarHBondContact NH2-OD1 3.18Å; R303-D347 IonicContact NH2-OD2 2.95Å; R303-D347 PolarHBondContact NH2-OD2 3.35Å; D347-Y366 HydrophobicContact CB-CE2 4.29Å; D347-Y366 PolarHBondContact O-N 3.34Å; D347-Y366 PolarHBondContact OD1-OH 3.35Å; D347-Y366 PolarHBondContact OD2-OH 3.49Å; D347-D367 HydrophobicContact CB-CB 4.18Å; D347-D367 PolarHBondContact N-O 3.1Å; D347-D367 PolarHBondContact O-N 3.07Å; D347-D367 VanDerWaalsContact O-N 3.16Å; D347-I369 HydrophobicContact CB-CD1 3.89Å; D347-Y452 PolarHBondContact OD2-OH 2.8Å
348G95.9Very high91.6Very high0 Ų053.3 Ų53.30%027%0.273CS..EExtended strand (participates in β ladder)trans-164.6-178.2-171.100000114.3Y304 Y363 L364 Y366Y304-G348 PolarHBondContact N-O 2.95Å; Y304-G348 CarbonylContact O-C 3.51Å; Y304-G348 PolarHBondContact O-N 2.82Å; G348-Y363 WeakPolarHBondContact CA-OH 3.27Å; G348-Y363 PolarHBondContact N-OH 3.05Å; G348-L364 CarbonylContact C-O 3.03Å; G348-L364 WeakPolarHBondContact CA-O 3.43Å; G348-Y366 VanDerWaalsContact CA-CD1 3.5Å; G348-Y366 VanDerWaalsContact CA-CE1 3.49Å
349E93.3Very high91.3Very high20 Ų2046.5 Ų46.59%0.09326%0.256CS..EExtended strand (participates in β ladder)trans-135.2129.5-178.3-173.3166.7-138.200109.2G301 I351 L364 K417G301-E349 PolarHBondContact N-OE1 3.05Å; E349-I351 HydrophobicContact CG-CG2 4.22Å; E349-L364 PolarHBondContact N-O 3.21Å; E349-L364 PolarHBondContact O-N 3.07Å; E349-K417 IonicContact OE2-NZ 2.54Å; E349-K417 PolarHBondContact OE2-NZ 3.06Å
350M92.8Very high91Very high0 Ų045.4 Ų45.40%025%0.249CC..EExtended strand (participates in β ladder)trans-87.7121.8172.6-172.666.167.400109F236 L237 G301 T302 Y304 M316 P361 R362 Y363 F412F236-M350 HydrophobicContact CE1-CE 4.07Å; F236-M350 HydrophobicContact CZ-CE 3.74Å; L237-M350 HydrophobicContact CD1-CG 3.78Å; G301-M350 CarbonylContact C-O 3.57Å; G301-M350 WeakPolarHBondContact CA-O 3.38Å; T302-M350 PolarHBondContact N-O 2.8Å; T302-M350 PolarHBondContact O-N 3.21Å; Y304-M350 HydrophobicContact CD2-CB 3.85Å; Y304-M350 HydrophobicContact CE2-CB 4.19Å; M316-M350 HydrophobicContact CE-CE 3.62Å; M350-P361 HydrophobicContact SD-CB 4.27Å; M350-R362 WeakPolarHBondContact CA-O 3.29Å; M350-R362 VanDerWaalsContact SD-O 3.35Å; M350-Y363 HydrophobicContact CE-CD2 4.21Å; M350-Y363 HydrophobicContact CE-CG 4.38Å; M350-F412 HydrophobicContact CE-CD1 3.84Å; M350-F412 HydrophobicContact CE-CD2 3.87Å; M350-F412 HydrophobicContact CE-CE1 3.83Å; M350-F412 HydrophobicContact CE-CE2 3.86Å; M350-F412 HydrophobicContact CE-CG 3.85Å; M350-F412 HydrophobicContact CE-CZ 3.84Å; M350-F412 HydrophobicContact SD-CB 4.46Å; M350-F412 HydrophobicContact SD-CD2 4.5Å; M350-F412 HydrophobicContact SD-CG 4.28Å
351I91.2Very high90.9Very high3 Ų345 Ų452%0.01525%0.249CC..EExtended strand (participates in β ladder)trans-120160.4178.261158.6000110.5A299 E349 P361 R362 L364 H439A299-I351 HydrophobicContact CB-CG2 3.74Å; E349-I351 HydrophobicContact CG-CG2 4.22Å; I351-P361 WeakPolarHBondContact O-CA 3.47Å; I351-R362 HydrophobicContact CD1-CB 4.48Å; I351-R362 HydrophobicContact CG1-CB 4.02Å; I351-R362 WeakPolarHBondContact CG1-O 3.33Å; I351-R362 PolarHBondContact N-O 2.95Å; I351-R362 PolarHBondContact O-N 3.45Å; I351-L364 HydrophobicContact CD1-CD1 3.64Å; I351-L364 HydrophobicContact CD1-CD2 4.39Å; I351-L364 HydrophobicContact CD1-CG 3.99Å; I351-L364 HydrophobicContact CG1-CD1 4.12Å; I351-L364 HydrophobicContact CG1-CG 4.08Å; I351-L364 HydrophobicContact CG2-CD1 4.4Å; I351-H439 HydrophobicContact CD1-CB 4.15Å; I351-H439 VanDerWaalsContact CD1-ND1 3.33Å; I351-H439 WeakPolarHBondContact CD1-ND1 3.17Å
352I89.1Confident90.7Very high61 Ų6145.9 Ų45.931%0.31325%0.252SS..EExtended strand (participates in β ladder)trans-111.1110.6171.5-61.1161.7000107.6L237 I240 P359L237-I352 HydrophobicContact CD1-CD1 4.25Å; L237-I352 HydrophobicContact CD1-CG1 4.28Å; L237-I352 HydrophobicContact CD2-CD1 3.92Å; L237-I352 HydrophobicContact CD2-CG1 3.69Å; L237-I352 HydrophobicContact CG-CD1 3.97Å; L237-I352 HydrophobicContact CG-CG1 4.19Å; I240-I352 HydrophobicContact CD1-CD1 3.57Å; I240-I352 HydrophobicContact CD1-CG1 3.9Å; I240-I352 HydrophobicContact CD1-CG2 3.83Å; I240-I352 HydrophobicContact CG1-CD1 4.35Å; I352-P359 HydrophobicContact CG2-CB 3.55Å
353D86.9Confident90.7Very high4 Ų443.8 Ų43.82%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-87.5138.8172.9-92.4-34.2000110.4V355 P359 V360 R362 S438 H439D353-V355 HydrophobicContact CB-CG2 4.31Å; D353-P359 CarbonylContact O-C 3.57Å; D353-P359 WeakPolarHBondContact O-CA 3.47Å; D353-V360 PolarHBondContact N-O 2.73Å; D353-V360 PolarHBondContact O-N 3Å; D353-R362 HydrophobicContact CB-CG 4.48Å; D353-R362 WeakPolarHBondContact OD2-CD 3.06Å; D353-R362 IonicContact OD2-CZ 3.54Å; D353-R362 IonicContact OD2-NE 3.85Å; D353-R362 PolarHBondContact OD2-NE 2.73Å; D353-S438 WeakPolarHBondContact CB-OG 3.43Å; D353-S438 VanDerWaalsContact OD1-C 3.31Å; D353-S438 WeakPolarHBondContact OD1-CB 3.39Å; D353-S438 PolarHBondContact OD1-OG 3.43Å; D353-S438 PolarHBondContact OD2-OG 2.75Å; D353-H439 WeakPolarHBondContact OD1-CB 3.44Å; D353-H439 IonicContact OD1-CG 3.94Å; D353-H439 PolarHBondContact OD1-N 3.06Å; D353-H439 IonicContact OD1-ND1 2.89Å; D353-H439 PolarHBondContact OD1-ND1 3.42Å
354K83.8Confident90.6Very high155 Ų15538.6 Ų38.667%0.67422%0.215SC*.EExtended strand (participates in β ladder)trans-92.2102.8169.3-67.7-179.3-177.1175.20109.7S438K354-S438 PolarHBondContact N-O 3.38Å
355V81.9Confident90.6Very high52 Ų5238.6 Ų38.632%0.31522%0.215SC..EExtended strand (participates in β ladder)trans-108.3118.3175.8-175.70000108.6D353 G357 Q358 V360D353-V355 HydrophobicContact CB-CG2 4.31Å; V355-G357 PolarHBondContact O-N 2.94Å; V355-Q358 PolarHBondContact N-O 3.35Å; V355-Q358 PolarHBondContact O-N 3.21Å; V355-V360 HydrophobicContact CB-CG2 4.19Å; V355-V360 HydrophobicContact CG2-CG2 4.26Å
356N81.4Confident90.5Very high163 Ų16340.3 Ų40.387%0.87222%0.222SC*.THydrogen-bonded Turntrans52.337.7-176-57.2-23.2000112.8Q358N356-Q358 PolarHBondContact O-N 3.44Å
357G78.8Confident90.4Very high66 Ų6640.3 Ų40.368%0.6822%0.222SC*.THydrogen-bonded Turntrans77.9-7.1-177.600000115.4V355V355-G357 PolarHBondContact O-N 2.94Å
358Q83.4Confident90.5Very high133 Ų13340.3 Ų40.362%0.62122%0.222SC*.EExtended strand (participates in β ladder)trans-94.1135178.4-64.6-62.2-30.600111.4V355 N356 V360V355-Q358 PolarHBondContact N-O 3.35Å; V355-Q358 PolarHBondContact O-N 3.21Å; N356-Q358 PolarHBondContact O-N 3.44Å; Q358-V360 PolarHBondContact O-N 3.02Å
359P86.6Confident90.5Very high62 Ų6240.7 Ų40.740%0.40322%0.224SC..EExtended strand (participates in β ladder)trans-75.6120.7176.631.2-33.3000110.5I240 I352 D353I240-P359 HydrophobicContact CD1-CB 3.66Å; I240-P359 HydrophobicContact CD1-CG 4.1Å; I352-P359 HydrophobicContact CG2-CB 3.55Å; D353-P359 CarbonylContact O-C 3.57Å; D353-P359 WeakPolarHBondContact O-CA 3.47Å
360V88.6Confident90.8Very high46 Ų4641.3 Ų41.328%0.27923%0.226SC..EExtended strand (participates in β ladder)trans-118.1113.8-179.2-178.90000109.1D353 V355 Q358D353-V360 PolarHBondContact N-O 2.73Å; D353-V360 PolarHBondContact O-N 3Å; V355-V360 HydrophobicContact CB-CG2 4.19Å; V355-V360 HydrophobicContact CG2-CG2 4.26Å; Q358-V360 PolarHBondContact O-N 3.02Å
361P92.1Very high91Very high18 Ų1842 Ų4212%0.11723%0.23CC..EExtended strand (participates in β ladder)trans-68.5135.7177.127.6-33.2000111L237 V242 M350 I351 F412 S413L237-P361 HydrophobicContact CD2-CB 3.97Å; V242-P361 HydrophobicContact CG2-CG 4.4Å; M350-P361 HydrophobicContact SD-CB 4.27Å; I351-P361 WeakPolarHBondContact O-CA 3.47Å; P361-F412 HydrophobicContact CB-CB 3.9Å; P361-F412 HydrophobicContact CG-CB 3.89Å; P361-F412 WeakPolarHBondContact O-CB 3.45Å; P361-S413 PolarHBondContact O-N 3.09Å
362R92.7Very high91.2Very high19 Ų1944.3 Ų44.37%0.07224%0.242CC..EExtended strand (participates in β ladder)trans-135.8135.5173.6-49.7-159.7-169.2-84.6-8111.9M350 I351 D353 S413M350-R362 WeakPolarHBondContact CA-O 3.29Å; M350-R362 VanDerWaalsContact SD-O 3.35Å; I351-R362 HydrophobicContact CD1-CB 4.48Å; I351-R362 HydrophobicContact CG1-CB 4.02Å; I351-R362 WeakPolarHBondContact CG1-O 3.33Å; I351-R362 PolarHBondContact N-O 2.95Å; I351-R362 PolarHBondContact O-N 3.45Å; D353-R362 HydrophobicContact CB-CG 4.48Å; D353-R362 WeakPolarHBondContact OD2-CD 3.06Å; D353-R362 IonicContact OD2-CZ 3.54Å; D353-R362 IonicContact OD2-NE 3.85Å; D353-R362 PolarHBondContact OD2-NE 2.73Å; R362-S413 CarbonylContact C-O 3.43Å; R362-S413 WeakPolarHBondContact CA-O 3.44Å; R362-S413 PolarHBondContact NH1-OG 3.49Å
363Y96.4Very high91.4Very high0 Ų043 Ų430%024%0.243CC..EExtended strand (participates in β ladder)trans-95.5116.2169.9-175.8-120000110.1Y304 M306 M316 G348 M350 I365 F412 S413 V414 R415Y304-Y363 PolarHBondContact O-OH 2.8Å; Y304-Y363 VanDerWaalsContact O-OH 3.08Å; M306-Y363 HydrophobicContact CB-CE1 3.86Å; M306-Y363 HydrophobicContact CE-CD1 3.47Å; M306-Y363 VanDerWaalsContact CE-CD1 3.47Å; M306-Y363 HydrophobicContact CE-CE1 3.62Å; M306-Y363 HydrophobicContact CE-CG 4.16Å; M306-Y363 PolarHBondContact N-OH 2.9Å; M306-Y363 HydrophobicContact SD-CD1 4.39Å; M306-Y363 HydrophobicContact SD-CE1 4.12Å; M316-Y363 HydrophobicContact CE-CD2 3.6Å; M316-Y363 HydrophobicContact CE-CE2 3.69Å; M316-Y363 HydrophobicContact CE-CG 4.14Å; M316-Y363 HydrophobicContact SD-CE2 4.26Å; G348-Y363 WeakPolarHBondContact CA-OH 3.27Å; G348-Y363 PolarHBondContact N-OH 3.05Å; M350-Y363 HydrophobicContact CE-CD2 4.21Å; M350-Y363 HydrophobicContact CE-CG 4.38Å; Y363-I365 HydrophobicContact CD1-CG1 3.78Å; Y363-I365 HydrophobicContact CE1-CD1 4.49Å; Y363-I365 HydrophobicContact CE1-CG1 3.54Å; Y363-F412 HydrophobicContact CG-CE2 4.48Å; Y363-S413 PolarHBondContact N-O 3.45Å; Y363-V414 HydrophobicContact CD1-CG1 4.25Å; Y363-V414 WeakPolarHBondContact O-CA 3.48Å; Y363-R415 PolarHBondContact O-N 3.22Å
364L95.8Very high91.9Very high9 Ų948.5 Ų48.55%0.04727%0.269CS..EExtended strand (participates in β ladder)trans-96.9107.7175.7-58.8-174.3000109.6G348 E349 I351 R415 K417G348-L364 CarbonylContact C-O 3.03Å; G348-L364 WeakPolarHBondContact CA-O 3.43Å; E349-L364 PolarHBondContact N-O 3.21Å; E349-L364 PolarHBondContact O-N 3.07Å; I351-L364 HydrophobicContact CD1-CD1 3.64Å; I351-L364 HydrophobicContact CD1-CD2 4.39Å; I351-L364 HydrophobicContact CD1-CG 3.99Å; I351-L364 HydrophobicContact CG1-CD1 4.12Å; I351-L364 HydrophobicContact CG1-CG 4.08Å; I351-L364 HydrophobicContact CG2-CD1 4.4Å; L364-R415 CarbonylContact C-O 3.52Å; L364-R415 WeakPolarHBondContact CA-O 3.5Å; L364-R415 HydrophobicContact CD2-CB 3.89Å; L364-K417 HydrophobicContact CB-CB 4.29Å
365I97.8Very high92.5Very high0 Ų044.4 Ų44.40%026%0.258CS..EExtended strand (participates in β ladder)trans-77.4121.9174.7-56.2161.4000108.4L346 Y363 I388 I392 I393 V414 R415 N416 K417L346-I365 HydrophobicContact CB-CG2 4.19Å; L346-I365 HydrophobicContact CD1-CD1 3.79Å; L346-I365 HydrophobicContact CD1-CG1 4.24Å; L346-I365 HydrophobicContact CD2-CG2 4.23Å; Y363-I365 HydrophobicContact CD1-CG1 3.78Å; Y363-I365 HydrophobicContact CE1-CD1 4.49Å; Y363-I365 HydrophobicContact CE1-CG1 3.54Å; I365-I388 HydrophobicContact CB-CG2 4.16Å; I365-I388 HydrophobicContact CD1-CG2 4.44Å; I365-I388 HydrophobicContact CG2-CD1 3.83Å; I365-I388 HydrophobicContact CG2-CG1 4Å; I365-I388 HydrophobicContact CG2-CG2 3.86Å; I365-I392 HydrophobicContact CD1-CG2 3.9Å; I365-I393 HydrophobicContact CD1-CD1 4.19Å; I365-V414 HydrophobicContact CD1-CG1 3.4Å; I365-V414 HydrophobicContact CG1-CG1 4.03Å; I365-R415 PolarHBondContact N-O 3.28Å; I365-N416 CarbonylContact O-C 3.54Å; I365-N416 WeakPolarHBondContact O-CA 3.18Å; I365-K417 PolarHBondContact O-N 3.47Å
366Y95.7Very high93.1Very high35 Ų3542.6 Ų42.614%0.13725%0.247CC..EExtended strand (participates in β ladder)trans-115.8-15.5177.971.9-103.5000113.6R303 D347 G348 F381R303-Y366 VanDerWaalsContact CZ-OH 3.25Å; R303-Y366 PolarHBondContact NE-OH 3.07Å; R303-Y366 PolarHBondContact NH2-OH 2.96Å; D347-Y366 HydrophobicContact CB-CE2 4.29Å; D347-Y366 PolarHBondContact O-N 3.34Å; D347-Y366 PolarHBondContact OD1-OH 3.35Å; D347-Y366 PolarHBondContact OD2-OH 3.49Å; G348-Y366 VanDerWaalsContact CA-CD1 3.5Å; G348-Y366 VanDerWaalsContact CA-CE1 3.49Å; Y366-F381 WeakPolarHBondContact O-CE2 3.37Å
367D97.5Very high93.8Very high1 Ų135 Ų351%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-149.6163.4172.4-145.7-23.6000112.4D347 R384 Y452D347-D367 HydrophobicContact CB-CB 4.18Å; D347-D367 PolarHBondContact N-O 3.1Å; D347-D367 PolarHBondContact O-N 3.07Å; D347-D367 VanDerWaalsContact O-N 3.16Å; D367-R384 IonicContact OD1-CZ 3.84Å; D367-R384 IonicContact OD1-NE 4Å; D367-R384 PolarHBondContact OD1-NE 2.99Å; D367-R384 IonicContact OD1-NH2 3.56Å; D367-R384 IonicContact OD2-CZ 2.8Å; D367-R384 IonicContact OD2-NE 3.29Å; D367-R384 IonicContact OD2-NH2 3.58Å; D367-R384 PolarHBondContact OD2-NH2 2.93Å; D367-Y452 HydrophobicContact CB-CE2 4.48Å; D367-Y452 WeakPolarHBondContact OD2-CD2 3.5Å
368I98.1Very high94.5Very high0 Ų035.5 Ų35.50%019%0.192CC..EExtended strand (participates in β ladder)trans-134.7127.5177.9179.5164.6000110.3T344 L346 F371 V376 R384 C387 I388 I392T344-I368 HydrophobicContact CG2-CD1 4.45Å; L346-I368 HydrophobicContact CD2-CB 3.82Å; L346-I368 HydrophobicContact CD2-CD1 3.61Å; L346-I368 HydrophobicContact CD2-CG1 3.65Å; I368-F371 HydrophobicContact CD1-CB 3.92Å; I368-F371 HydrophobicContact CD1-CD2 4.43Å; I368-V376 HydrophobicContact CG2-CG1 3.96Å; I368-R384 HydrophobicContact CG2-CB 3.7Å; I368-R384 VanDerWaalsContact CG2-O 3.29Å; I368-R384 WeakPolarHBondContact CG2-O 3.17Å; I368-R384 WeakPolarHBondContact O-CD 3.23Å; I368-C387 HydrophobicContact CG2-CB 4.42Å; I368-I388 HydrophobicContact CB-CD1 4.16Å; I368-I388 HydrophobicContact CB-CG1 3.81Å; I368-I388 HydrophobicContact CG2-CD1 3.96Å; I368-I388 HydrophobicContact CG2-CG1 3.66Å; I368-I392 HydrophobicContact CD1-CG1 4.47Å
369I97.8Very high95.1Very high7 Ų731.4 Ų31.44%0.03618%0.178CC..EExtended strand (participates in β ladder)trans-98.6-44-175.5-61.382.8000110.7M264 A265 M305 L345 D347 G377 Y452M264-I369 VanDerWaalsContact O-CG2 3.28Å; M264-I369 WeakPolarHBondContact O-CG2 3.49Å; A265-I369 HydrophobicContact CB-CG2 4.32Å; M305-I369 HydrophobicContact CE-CD1 3.65Å; M305-I369 HydrophobicContact CE-CG1 4.18Å; L345-I369 HydrophobicContact CB-CB 4.35Å; L345-I369 HydrophobicContact CD2-CB 4.18Å; L345-I369 HydrophobicContact CD2-CG2 4.28Å; L345-I369 HydrophobicContact CG-CB 4.33Å; L345-I369 HydrophobicContact CG-CD1 4.35Å; L345-I369 PolarHBondContact O-N 3.04Å; D347-I369 HydrophobicContact CB-CD1 3.89Å; I369-G377 WeakPolarHBondContact O-CA 3.43Å; I369-G377 PolarHBondContact O-N 3.5Å; I369-Y452 HydrophobicContact CD1-CE1 4.44Å; I369-Y452 HydrophobicContact CD1-CE2 4.11Å; I369-Y452 HydrophobicContact CG1-CD1 3.85Å; I369-Y452 HydrophobicContact CG1-CD2 4.18Å; I369-Y452 HydrophobicContact CG1-CE1 3.65Å; I369-Y452 HydrophobicContact CG1-CE2 3.98Å; I369-Y452 HydrophobicContact CG1-CG 4.11Å; I369-Y452 HydrophobicContact CG2-CD1 4.49Å
370K97.9Very high95.6Very high34 Ų3431.5 Ų31.515%0.14818%0.175CC..EExtended strand (participates in β ladder)trans-136.2141.5-178.9-140.482.3-178.4-168.50109.6M264 T344 L345 G373 Q374M264-K370 HydrophobicContact CB-CB 4.34Å; M264-K370 HydrophobicContact CB-CD 4.48Å; M264-K370 HydrophobicContact CG-CB 4.38Å; M264-K370 HydrophobicContact CG-CG 4.3Å; M264-K370 HydrophobicContact SD-CB 4.26Å; T344-K370 CarbonylContact C-O 3.58Å; T344-K370 VanDerWaalsContact CA-O 3.27Å; T344-K370 WeakPolarHBondContact CA-O 3.32Å; T344-K370 WeakPolarHBondContact CG2-O 3.25Å; L345-K370 HydrophobicContact CB-CB 4.18Å; L345-K370 PolarHBondContact N-O 3.17Å; L345-K370 PolarHBondContact O-N 2.92Å; K370-G373 WeakPolarHBondContact CE-O 3.43Å; K370-Q374 WeakPolarHBondContact CA-O 3.25Å; K370-Q374 WeakPolarHBondContact CG-O 3.38Å
371F97.8Very high96Very high15 Ų1529.3 Ų29.37%0.06616%0.162CC..BIsolated β-bridgetrans-132.1114.6174.2173.3-111.3000109.9F333 L341 T344 I368 G373 Q374 V376 E391 I392F333-F371 HydrophobicContact CD2-CZ 4.46Å; F333-F371 HydrophobicContact CE2-CZ 4.22Å; L341-F371 HydrophobicContact CD1-CE2 4.11Å; L341-F371 HydrophobicContact CD2-CE2 3.81Å; L341-F371 HydrophobicContact CD2-CZ 4.29Å; T344-F371 HydrophobicContact CG2-CD2 4.39Å; I368-F371 HydrophobicContact CD1-CB 3.92Å; I368-F371 HydrophobicContact CD1-CD2 4.43Å; F371-G373 PolarHBondContact O-N 2.87Å; F371-G373 VanDerWaalsContact O-N 3.1Å; F371-Q374 PolarHBondContact N-O 2.85Å; F371-Q374 VanDerWaalsContact N-O 3.08Å; F371-Q374 WeakPolarHBondContact O-CA 3.26Å; F371-Q374 VanDerWaalsContact O-CB 3.25Å; F371-Q374 WeakPolarHBondContact O-CB 3.36Å; F371-Q374 PolarHBondContact O-N 2.84Å; F371-V376 HydrophobicContact CB-CG2 3.67Å; F371-E391 HydrophobicContact CD2-CB 4.28Å; F371-E391 HydrophobicContact CE1-CB 4.27Å; F371-E391 HydrophobicContact CE1-CG 4.08Å; F371-E391 HydrophobicContact CE2-CB 3.55Å; F371-E391 HydrophobicContact CE2-CG 4.28Å; F371-E391 HydrophobicContact CZ-CB 3.55Å; F371-E391 HydrophobicContact CZ-CG 3.8Å; F371-I392 HydrophobicContact CD2-CD1 4.22Å; F371-I392 HydrophobicContact CE2-CD1 4.3Å
372N95.4Very high96.1Very high50 Ų5031.5 Ų31.527%0.26717%0.172SC..THydrogen-bonded Turntrans46.641-175.6-75.7-35.2000113L341 S342 K343 T344 Q374L341-N372 WeakPolarHBondContact CD2-ND2 3.31Å; S342-N372 PolarHBondContact N-OD1 3.49Å; S342-N372 VanDerWaalsContact N-OD1 3.1Å; S342-N372 VanDerWaalsContact O-CA 3.27Å; S342-N372 WeakPolarHBondContact O-CA 3.38Å; S342-N372 PolarHBondContact O-N 3.33Å; S342-N372 PolarHBondContact O-OD1 3.07Å; K343-N372 PolarHBondContact O-N 3.11Å; T344-N372 PolarHBondContact OG1-N 2.83Å; N372-Q374 VanDerWaalsContact C-N 3.26Å; N372-Q374 PolarHBondContact O-N 2.66Å
373G94.1Very high96.3Very high34 Ų3435 Ų3535%0.35119%0.192SC..THydrogen-bonded Turntrans80.3-10.6-176.700000115.7K343 K370 F371K343-G373 PolarHBondContact O-N 2.64Å; K370-G373 WeakPolarHBondContact CE-O 3.43Å; F371-G373 PolarHBondContact O-N 2.87Å; F371-G373 VanDerWaalsContact O-N 3.1Å
374Q96.3Very high96.4Very high120 Ų12035 Ų3556%0.56119%0.192SC*.BIsolated β-bridgetrans-74137176.6-59-172.7-14.100111.4K370 F371 N372 V376K370-Q374 WeakPolarHBondContact CA-O 3.25Å; K370-Q374 WeakPolarHBondContact CG-O 3.38Å; F371-Q374 PolarHBondContact N-O 2.85Å; F371-Q374 VanDerWaalsContact N-O 3.08Å; F371-Q374 WeakPolarHBondContact O-CA 3.26Å; F371-Q374 VanDerWaalsContact O-CB 3.25Å; F371-Q374 WeakPolarHBondContact O-CB 3.36Å; F371-Q374 PolarHBondContact O-N 2.84Å; N372-Q374 VanDerWaalsContact C-N 3.26Å; N372-Q374 PolarHBondContact O-N 2.66Å; Q374-V376 HydrophobicContact CB-CG2 4.35Å; Q374-V376 PolarHBondContact O-N 2.95Å
375P95.9Very high96.4Very high69 Ų6936 Ų3645%0.44820%0.197SC..  trans-78.760-175.835-37.5000112.8G377 Q378P375-G377 PolarHBondContact O-N 3.32Å; P375-Q378 HydrophobicContact CB-CG 4.16Å; P375-Q378 WeakPolarHBondContact O-CB 3.41Å; P375-Q378 PolarHBondContact O-N 3.36Å
376V96.1Very high96.4Very high13 Ų1340.2 Ų40.28%0.07922%0.219CC..G310 helixtrans-60.8-26.2-178.2179.60000112.4I368 F371 Q374 Q378 C379 R384 C387I368-V376 HydrophobicContact CG2-CG1 3.96Å; F371-V376 HydrophobicContact CB-CG2 3.67Å; Q374-V376 HydrophobicContact CB-CG2 4.35Å; Q374-V376 PolarHBondContact O-N 2.95Å; V376-Q378 PolarHBondContact O-N 3.36Å; V376-Q378 VanDerWaalsContact O-N 3.13Å; V376-C379 VanDerWaalsContact O-CB 3.3Å; V376-C379 WeakPolarHBondContact O-CB 3.35Å; V376-C379 PolarHBondContact O-N 2.86Å; V376-R384 HydrophobicContact CG1-CB 4.39Å; V376-R384 HydrophobicContact CG1-CG 4Å; V376-R384 WeakPolarHBondContact O-CD 3.16Å; V376-R384 WeakPolarHBondContact O-CG 3.39Å; V376-C387 HydrophobicContact CG1-CB 4.22Å
377G94.6Very high96.4Very high5 Ų539.3 Ų39.35%0.05222%0.218CC..G310 helixtrans-56.4-25.1172.700000114.2I369 P375 C379 Y452I369-G377 WeakPolarHBondContact O-CA 3.43Å; I369-G377 PolarHBondContact O-N 3.5Å; P375-G377 PolarHBondContact O-N 3.32Å; G377-C379 VanDerWaalsContact C-N 3.32Å; G377-Y452 WeakPolarHBondContact O-CB 3.17Å; G377-Y452 PolarHBondContact O-N 3.48Å
378Q94.6Very high96.5Very high75 Ų7539.4 Ų39.435%0.3522%0.218SC..G310 helixtrans-81.1-10.9177.2-58.3-61.1-19.800113.3E266 P375 V376E266-Q378 PolarHBondContact OE1-NE2 3.44Å; E266-Q378 PolarHBondContact OE2-NE2 2.67Å; P375-Q378 HydrophobicContact CB-CG 4.16Å; P375-Q378 WeakPolarHBondContact O-CB 3.41Å; P375-Q378 PolarHBondContact O-N 3.36Å; V376-Q378 PolarHBondContact O-N 3.36Å; V376-Q378 VanDerWaalsContact O-N 3.13Å
379C95.6Very high96.4Very high47 Ų4742.4 Ų42.432%0.31823%0.232SC..SBendtrans-81.6164.1176-58.20000112V376 G377 I383 R384V376-C379 VanDerWaalsContact O-CB 3.3Å; V376-C379 WeakPolarHBondContact O-CB 3.35Å; V376-C379 PolarHBondContact O-N 2.86Å; G377-C379 VanDerWaalsContact C-N 3.32Å; C379-I383 HydrophobicContact CB-CB 4.05Å; C379-I383 HydrophobicContact CB-CD1 4.31Å; C379-I383 HydrophobicContact CB-CG2 3.97Å; C379-R384 HydrophobicContact CB-CG 4.41Å; C379-R384 PolarHBondContact O-NH1 3.22Å
380D96.5Very high96.4Very high64 Ų6447.3 Ų47.334%0.34225%0.253SS..  trans-57.1142.7169.6-178.2-85.1000111.3N382 I383 R384 C449D380-N382 PolarHBondContact O-N 3.32Å; D380-N382 VanDerWaalsContact O-N 3.13Å; D380-N382 WeakPolarHBondContact OD1-CB 3.42Å; D380-N382 PolarHBondContact OD1-N 2.88Å; D380-N382 PolarHBondContact OD1-ND2 3.18Å; D380-I383 HydrophobicContact CB-CD1 4.27Å; D380-I383 HydrophobicContact CB-CG1 4.4Å; D380-I383 WeakPolarHBondContact O-CA 3.48Å; D380-I383 WeakPolarHBondContact O-CB 3.28Å; D380-I383 PolarHBondContact O-N 3.41Å; D380-R384 WeakPolarHBondContact O-CG 3.38Å; D380-R384 PolarHBondContact O-N 2.95Å; D380-R384 VanDerWaalsContact O-N 3.12Å; D380-C449 CarbonylContact C-O 3.56Å; D380-C449 WeakPolarHBondContact CA-O 3.34Å
381F96.7Very high96.3Very high0 Ų047 Ų470%025%0.252CS..Hα-helixtrans-54.1-33.7-177.6-176.3-127.1000113.4K294 Y366 I383 R384 L385 F419 Q447 C449K294-F381 HydrophobicContact CB-CD1 4.44Å; K294-F381 HydrophobicContact CB-CE1 4.14Å; K294-F381 HydrophobicContact CD-CD1 4.41Å; K294-F381 HydrophobicContact CD-CE1 4.34Å; K294-F381 HydrophobicContact CG-CD1 4.5Å; Y366-F381 WeakPolarHBondContact O-CE2 3.37Å; F381-I383 VanDerWaalsContact C-N 3.32Å; F381-I383 PolarHBondContact O-N 2.62Å; F381-R384 PolarHBondContact O-N 3.11Å; F381-L385 HydrophobicContact CD1-CD1 3.98Å; F381-L385 HydrophobicContact CD1-CG 4.42Å; F381-L385 HydrophobicContact CD2-CG 4.33Å; F381-L385 HydrophobicContact CE1-CD1 3.57Å; F381-L385 HydrophobicContact CE1-CD2 4.39Å; F381-L385 HydrophobicContact CE1-CG 4.05Å; F381-L385 HydrophobicContact CE2-CD1 4.4Å; F381-L385 HydrophobicContact CE2-CD2 4Å; F381-L385 HydrophobicContact CE2-CG 3.96Å; F381-L385 HydrophobicContact CZ-CD1 3.8Å; F381-L385 HydrophobicContact CZ-CD2 3.75Å; F381-L385 HydrophobicContact CZ-CG 3.8Å; F381-L385 WeakPolarHBondContact O-CG 3.32Å; F381-L385 PolarHBondContact O-N 2.83Å; F381-F419 HydrophobicContact CE1-CB 4.25Å; F381-F419 AromaticContact CE1-CD1 3.78Å; F381-F419 HydrophobicContact CE1-CD1 3.78Å; F381-F419 HydrophobicContact CE1-CD2 4.21Å; F381-F419 HydrophobicContact CE1-CE1 4.13Å; F381-F419 AromaticContact CE1-CG 3.82Å; F381-F419 HydrophobicContact CE1-CG 3.82Å; F381-F419 HydrophobicContact CE1-CZ 4.49Å; F381-F419 AromaticContact CZ-CD1 3.94Å; F381-F419 HydrophobicContact CZ-CD1 3.94Å; F381-F419 AromaticContact CZ-CD2 3.79Å; F381-F419 HydrophobicContact CZ-CD2 3.79Å; F381-F419 AromaticContact CZ-CE1 3.92Å; F381-F419 HydrophobicContact CZ-CE1 3.92Å; F381-F419 AromaticContact CZ-CE2 3.77Å; F381-F419 HydrophobicContact CZ-CE2 3.77Å; F381-F419 AromaticContact CZ-CG 3.86Å; F381-F419 HydrophobicContact CZ-CG 3.86Å; F381-F419 AromaticContact CZ-CZ 3.83Å; F381-F419 HydrophobicContact CZ-CZ 3.83Å; F381-Q447 HydrophobicContact CD1-CB 4.39Å; F381-Q447 HydrophobicContact CD1-CG 3.85Å; F381-Q447 HydrophobicContact CD2-CG 4.09Å; F381-Q447 HydrophobicContact CE1-CB 3.89Å; F381-Q447 HydrophobicContact CE1-CG 3.58Å; F381-Q447 HydrophobicContact CE2-CG 3.84Å; F381-Q447 HydrophobicContact CG-CG 4.1Å; F381-Q447 HydrophobicContact CZ-CB 4.15Å; F381-Q447 HydrophobicContact CZ-CG 3.59Å; F381-C449 WeakPolarHBondContact CB-O 3.18Å; F381-C449 PolarHBondContact N-O 3.11Å
382N95.3Very high96.3Very high64 Ų6446.3 Ų46.334%0.34225%0.249SC..Hα-helixtrans-63.1-39.2175.3-68.3-76.6000112.4K294 D380 R384 L385 L386K294-N382 WeakPolarHBondContact CE-OD1 3.37Å; K294-N382 PolarHBondContact NZ-OD1 2.69Å; D380-N382 PolarHBondContact O-N 3.32Å; D380-N382 VanDerWaalsContact O-N 3.13Å; D380-N382 WeakPolarHBondContact OD1-CB 3.42Å; D380-N382 PolarHBondContact OD1-N 2.88Å; D380-N382 PolarHBondContact OD1-ND2 3.18Å; N382-R384 VanDerWaalsContact C-N 3.33Å; N382-L385 PolarHBondContact O-N 2.86Å; N382-L386 WeakPolarHBondContact O-CB 3.22Å; N382-L386 PolarHBondContact O-N 2.82Å
383I96.8Very high96.4Very high94 Ų9444.1 Ų44.148%0.48224%0.238SC..Hα-helixtrans-66.9-40.4176.1-60.2174.7000109.4C379 D380 F381 L386 C387C379-I383 HydrophobicContact CB-CB 4.05Å; C379-I383 HydrophobicContact CB-CD1 4.31Å; C379-I383 HydrophobicContact CB-CG2 3.97Å; D380-I383 HydrophobicContact CB-CD1 4.27Å; D380-I383 HydrophobicContact CB-CG1 4.4Å; D380-I383 WeakPolarHBondContact O-CA 3.48Å; D380-I383 WeakPolarHBondContact O-CB 3.28Å; D380-I383 PolarHBondContact O-N 3.41Å; F381-I383 VanDerWaalsContact C-N 3.32Å; F381-I383 PolarHBondContact O-N 2.62Å; I383-L386 PolarHBondContact O-N 3.22Å; I383-C387 WeakPolarHBondContact O-CB 3.36Å; I383-C387 PolarHBondContact O-N 2.81Å
384R97.6Very high96.5Very high0 Ų044.6 Ų44.60%024%0.235CC..Hα-helixtrans-63.3-44.9176.9-52.2-157.1-57-97.44.4111.6D367 I368 V376 C379 D380 F381 N382 L386 C387 I388 G450D367-R384 IonicContact OD1-CZ 3.84Å; D367-R384 IonicContact OD1-NE 4Å; D367-R384 PolarHBondContact OD1-NE 2.99Å; D367-R384 IonicContact OD1-NH2 3.56Å; D367-R384 IonicContact OD2-CZ 2.8Å; D367-R384 IonicContact OD2-NE 3.29Å; D367-R384 IonicContact OD2-NH2 3.58Å; D367-R384 PolarHBondContact OD2-NH2 2.93Å; I368-R384 HydrophobicContact CG2-CB 3.7Å; I368-R384 VanDerWaalsContact CG2-O 3.29Å; I368-R384 WeakPolarHBondContact CG2-O 3.17Å; I368-R384 WeakPolarHBondContact O-CD 3.23Å; V376-R384 HydrophobicContact CG1-CB 4.39Å; V376-R384 HydrophobicContact CG1-CG 4Å; V376-R384 WeakPolarHBondContact O-CD 3.16Å; V376-R384 WeakPolarHBondContact O-CG 3.39Å; C379-R384 HydrophobicContact CB-CG 4.41Å; C379-R384 PolarHBondContact O-NH1 3.22Å; D380-R384 WeakPolarHBondContact O-CG 3.38Å; D380-R384 PolarHBondContact O-N 2.95Å; D380-R384 VanDerWaalsContact O-N 3.12Å; F381-R384 PolarHBondContact O-N 3.11Å; N382-R384 VanDerWaalsContact C-N 3.33Å; R384-L386 PolarHBondContact O-N 3.25Å; R384-C387 WeakPolarHBondContact O-CB 3.4Å; R384-C387 PolarHBondContact O-N 2.85Å; R384-I388 WeakPolarHBondContact O-CG1 3.33Å; R384-I388 PolarHBondContact O-N 3.38Å; R384-G450 PolarHBondContact NH1-O 2.85Å
385L96.6Very high96.5Very high28 Ų2838.9 Ų38.915%0.14721%0.209CC..Hα-helixtrans-61.1-43.4173.8-72.1175.6000112.6K294 F381 N382 C387 I388 E389 F419K294-L385 HydrophobicContact CD-CD1 4.09Å; F381-L385 HydrophobicContact CD1-CD1 3.98Å; F381-L385 HydrophobicContact CD1-CG 4.42Å; F381-L385 HydrophobicContact CD2-CG 4.33Å; F381-L385 HydrophobicContact CE1-CD1 3.57Å; F381-L385 HydrophobicContact CE1-CD2 4.39Å; F381-L385 HydrophobicContact CE1-CG 4.05Å; F381-L385 HydrophobicContact CE2-CD1 4.4Å; F381-L385 HydrophobicContact CE2-CD2 4Å; F381-L385 HydrophobicContact CE2-CG 3.96Å; F381-L385 HydrophobicContact CZ-CD1 3.8Å; F381-L385 HydrophobicContact CZ-CD2 3.75Å; F381-L385 HydrophobicContact CZ-CG 3.8Å; F381-L385 WeakPolarHBondContact O-CG 3.32Å; F381-L385 PolarHBondContact O-N 2.83Å; N382-L385 PolarHBondContact O-N 2.86Å; L385-C387 VanDerWaalsContact C-N 3.29Å; L385-C387 PolarHBondContact O-N 3.26Å; L385-I388 HydrophobicContact CD2-CD1 4.43Å; L385-I388 PolarHBondContact O-N 3.35Å; L385-E389 PolarHBondContact O-N 2.99Å; L385-F419 HydrophobicContact CD1-CB 3.83Å; L385-F419 HydrophobicContact CD1-CD2 4.3Å; L385-F419 HydrophobicContact CD1-CG 4.3Å; L385-F419 HydrophobicContact CD2-CD2 3.76Å; L385-F419 HydrophobicContact CD2-CE2 4.29Å
386L96.9Very high96.5Very high89 Ų8935.9 Ų35.947%0.46619%0.189SC..Hα-helixtrans-63.5-37.7176.2-173.565.1000111.5N382 I383 R384 E389 K390N382-L386 WeakPolarHBondContact O-CB 3.22Å; N382-L386 PolarHBondContact O-N 2.82Å; I383-L386 PolarHBondContact O-N 3.22Å; R384-L386 PolarHBondContact O-N 3.25Å; L386-E389 PolarHBondContact O-N 2.94Å; L386-K390 HydrophobicContact CD1-CD 3.92Å; L386-K390 HydrophobicContact CD1-CG 4.14Å; L386-K390 HydrophobicContact CG-CD 4.05Å; L386-K390 HydrophobicContact CG-CG 4.45Å; L386-K390 WeakPolarHBondContact O-CB 3.46Å; L386-K390 PolarHBondContact O-N 3Å
387C97.5Very high96.4Very high17 Ų1739.6 Ų39.612%0.11521%0.205CC..Hα-helixtrans-63.1-45.4175.2-1760000111.2I368 V376 I383 R384 L385 E389 E391I368-C387 HydrophobicContact CG2-CB 4.42Å; V376-C387 HydrophobicContact CG1-CB 4.22Å; I383-C387 WeakPolarHBondContact O-CB 3.36Å; I383-C387 PolarHBondContact O-N 2.81Å; R384-C387 WeakPolarHBondContact O-CB 3.4Å; R384-C387 PolarHBondContact O-N 2.85Å; L385-C387 VanDerWaalsContact C-N 3.29Å; L385-C387 PolarHBondContact O-N 3.26Å; C387-E389 VanDerWaalsContact C-N 3.35Å; C387-E389 PolarHBondContact O-N 3.19Å; C387-E391 WeakPolarHBondContact O-CA 3.22Å; C387-E391 VanDerWaalsContact O-CB 3.24Å; C387-E391 WeakPolarHBondContact O-CB 3.33Å; C387-E391 PolarHBondContact O-N 3.39Å
388I97.8Very high96.4Very high2 Ų243.9 Ų43.91%0.0122%0.224CC..Iπ-helixtrans-56.9-50174.8-66.1158.9000110.5I365 I368 R384 L385 I392 I393 N416I365-I388 HydrophobicContact CB-CG2 4.16Å; I365-I388 HydrophobicContact CD1-CG2 4.44Å; I365-I388 HydrophobicContact CG2-CD1 3.83Å; I365-I388 HydrophobicContact CG2-CG1 4Å; I365-I388 HydrophobicContact CG2-CG2 3.86Å; I368-I388 HydrophobicContact CB-CD1 4.16Å; I368-I388 HydrophobicContact CB-CG1 3.81Å; I368-I388 HydrophobicContact CG2-CD1 3.96Å; I368-I388 HydrophobicContact CG2-CG1 3.66Å; R384-I388 WeakPolarHBondContact O-CG1 3.33Å; R384-I388 PolarHBondContact O-N 3.38Å; L385-I388 HydrophobicContact CD2-CD1 4.43Å; L385-I388 PolarHBondContact O-N 3.35Å; I388-I392 WeakPolarHBondContact O-CA 3.25Å; I388-I392 VanDerWaalsContact O-CB 3.27Å; I388-I392 WeakPolarHBondContact O-CB 3.4Å; I388-I392 PolarHBondContact O-N 2.85Å; I388-I392 VanDerWaalsContact O-N 3.1Å; I388-I393 HydrophobicContact CG2-CG1 4.2Å; I388-I393 PolarHBondContact O-N 3.48Å; I388-N416 HydrophobicContact CG2-CB 3.88Å
389E96.9Very high96.4Very high63 Ų6341 Ų4129%0.29421%0.21SC..Iπ-helixtrans-64-50-177.2-177.459.8-162.500112.1L385 L386 C387 S394 N416L385-E389 PolarHBondContact O-N 2.99Å; L386-E389 PolarHBondContact O-N 2.94Å; C387-E389 VanDerWaalsContact C-N 3.35Å; C387-E389 PolarHBondContact O-N 3.19Å; E389-S394 WeakPolarHBondContact O-CB 3.46Å; E389-S394 PolarHBondContact O-N 2.89Å; E389-S394 PolarHBondContact O-OG 3.49Å; E389-N416 VanDerWaalsContact OE2-CG 3.27Å; E389-N416 PolarHBondContact OE2-ND2 2.94Å
390K96.8Very high96.3Very high110 Ų11041.2 Ų41.248%0.47821%0.207SC..Iπ-helixtrans-78.8-38.1-173.5-73.2-172.4171.4175.90113.7R334 L386 P395R334-K390 WeakPolarHBondContact CD-O 3.48Å; L386-K390 HydrophobicContact CD1-CD 3.92Å; L386-K390 HydrophobicContact CD1-CG 4.14Å; L386-K390 HydrophobicContact CG-CD 4.05Å; L386-K390 HydrophobicContact CG-CG 4.45Å; L386-K390 WeakPolarHBondContact O-CB 3.46Å; L386-K390 PolarHBondContact O-N 3Å; K390-P395 VanDerWaalsContact O-CD 3.29Å; K390-P395 WeakPolarHBondContact O-CD 3.27Å
391E97.3Very high96.2Very high27 Ų2746.6 Ų46.613%0.12623%0.227CC..Iπ-helixtrans-102.9-19.3-169.6-56.3-64.9161.100113.3R334 F371 C387R334-E391 VanDerWaalsContact CB-OE2 3.24Å; R334-E391 WeakPolarHBondContact CB-OE2 3.47Å; R334-E391 IonicContact CZ-OE1 2.8Å; R334-E391 VanDerWaalsContact NE-CD 3.34Å; R334-E391 IonicContact NE-OE1 3.94Å; R334-E391 PolarHBondContact NE-OE1 2.97Å; R334-E391 IonicContact NE-OE2 2.71Å; R334-E391 PolarHBondContact NE-OE2 2.96Å; R334-E391 IonicContact NH2-OE1 3.82Å; R334-E391 PolarHBondContact NH2-OE1 3.47Å; F371-E391 HydrophobicContact CD2-CB 4.28Å; F371-E391 HydrophobicContact CE1-CB 4.27Å; F371-E391 HydrophobicContact CE1-CG 4.08Å; F371-E391 HydrophobicContact CE2-CB 3.55Å; F371-E391 HydrophobicContact CE2-CG 4.28Å; F371-E391 HydrophobicContact CZ-CB 3.55Å; F371-E391 HydrophobicContact CZ-CG 3.8Å; C387-E391 WeakPolarHBondContact O-CA 3.22Å; C387-E391 VanDerWaalsContact O-CB 3.24Å; C387-E391 WeakPolarHBondContact O-CB 3.33Å; C387-E391 PolarHBondContact O-N 3.39Å
392I97.4Very high96Very high1 Ų151.5 Ų51.51%0.00525%0.253CS..Iπ-helixtrans-110.3-53.5178.7-48.3-60.2000111.4F331 L341 T344 L346 I365 I368 F371 I388 R396F331-I392 HydrophobicContact CD1-CG2 3.85Å; F331-I392 HydrophobicContact CE1-CG2 3.87Å; L341-I392 HydrophobicContact CD1-CD1 3.43Å; L341-I392 VanDerWaalsContact CD1-CD1 3.43Å; T344-I392 HydrophobicContact CG2-CD1 4.1Å; L346-I392 HydrophobicContact CD1-CG2 4.2Å; L346-I392 HydrophobicContact CD2-CD1 4.43Å; L346-I392 HydrophobicContact CD2-CG1 4.22Å; I365-I392 HydrophobicContact CD1-CG2 3.9Å; I368-I392 HydrophobicContact CD1-CG1 4.47Å; F371-I392 HydrophobicContact CD2-CD1 4.22Å; F371-I392 HydrophobicContact CE2-CD1 4.3Å; I388-I392 WeakPolarHBondContact O-CA 3.25Å; I388-I392 VanDerWaalsContact O-CB 3.27Å; I388-I392 WeakPolarHBondContact O-CB 3.4Å; I388-I392 PolarHBondContact O-N 2.85Å; I388-I392 VanDerWaalsContact O-N 3.1Å; I392-R396 WeakPolarHBondContact O-CD 3.39Å; I392-R396 VanDerWaalsContact O-CG 3.3Å; I392-R396 WeakPolarHBondContact O-CG 3.42Å
393I97.1Very high95.8Very high5 Ų551.5 Ų51.53%0.02627%0.268CS..Iπ-helixtrans-79.3-52.7-172.1-60.2-56.8000111.9I365 I388 R396 Q397 V414 N416I365-I393 HydrophobicContact CD1-CD1 4.19Å; I388-I393 HydrophobicContact CG2-CG1 4.2Å; I388-I393 PolarHBondContact O-N 3.48Å; I393-R396 PolarHBondContact O-N 3.31Å; I393-Q397 HydrophobicContact CG2-CG 4.23Å; I393-Q397 VanDerWaalsContact CG2-NE2 3.28Å; I393-Q397 WeakPolarHBondContact O-CG 3.3Å; I393-Q397 PolarHBondContact O-N 3.44Å; I393-V414 HydrophobicContact CD1-CG1 4.25Å; I393-N416 HydrophobicContact CG1-CB 4.03Å
394S96.7Very high95.5Very high43 Ų4352.5 Ų52.530%0.30127%0.27SS..Hα-helixtrans-56.6-46.1-176.4-59.70000113.3E389 R396 Q397 E398E389-S394 WeakPolarHBondContact O-CB 3.46Å; E389-S394 PolarHBondContact O-N 2.89Å; E389-S394 PolarHBondContact O-OG 3.49Å; S394-R396 VanDerWaalsContact C-N 3.32Å; S394-R396 PolarHBondContact O-N 3.02Å; S394-Q397 PolarHBondContact O-N 2.67Å; S394-E398 WeakPolarHBondContact O-CB 3.3Å; S394-E398 PolarHBondContact O-N 2.99Å
395P96.5Very high95.1Very high0 Ų053.1 Ų53.10%027%0.274CS..Hα-helixtrans-65.6-34.6-179.2-23.938.4000112.6P332 R334 L337 K390 K399P332-P395 HydrophobicContact CG-CB 3.9Å; P332-P395 WeakPolarHBondContact CG-O 3.47Å; P332-P395 WeakPolarHBondContact O-CB 3.04Å; R334-P395 HydrophobicContact CB-CG 3.7Å; R334-P395 HydrophobicContact CG-CG 4.11Å; L337-P395 HydrophobicContact CD2-CB 4.04Å; K390-P395 VanDerWaalsContact O-CD 3.29Å; K390-P395 WeakPolarHBondContact O-CD 3.27Å; P395-K399 WeakPolarHBondContact O-CB 3.44Å; P395-K399 PolarHBondContact O-N 3.45Å
396R95.6Very high94.7Very high7 Ų755.6 Ų55.63%0.02629%0.287CS..Hα-helixtrans-65.9-46174-68.8-178.877.7-107.71.4111.1E330 P332 I392 I393 S394 E398 K399 M400 E410E330-R396 WeakPolarHBondContact O-CD 3.35Å; E330-R396 PolarHBondContact O-NE 2.97Å; P332-R396 HydrophobicContact CG-CG 4.26Å; I392-R396 WeakPolarHBondContact O-CD 3.39Å; I392-R396 VanDerWaalsContact O-CG 3.3Å; I392-R396 WeakPolarHBondContact O-CG 3.42Å; I393-R396 PolarHBondContact O-N 3.31Å; S394-R396 VanDerWaalsContact C-N 3.32Å; S394-R396 PolarHBondContact O-N 3.02Å; R396-E398 VanDerWaalsContact C-N 3.32Å; R396-E398 PolarHBondContact O-N 2.92Å; R396-K399 PolarHBondContact O-N 2.9Å; R396-M400 WeakPolarHBondContact O-CB 3.34Å; R396-M400 WeakPolarHBondContact O-CG 3.39Å; R396-M400 PolarHBondContact O-N 3.2Å; R396-E410 IonicContact CZ-OE1 3.71Å; R396-E410 IonicContact CZ-OE2 2.67Å; R396-E410 IonicContact NH2-OE1 2.69Å; R396-E410 PolarHBondContact NH2-OE1 2.87Å; R396-E410 IonicContact NH2-OE2 3.18Å; R396-E410 PolarHBondContact NH2-OE2 3.4Å
397Q94.4Very high94.1Very high90 Ų9057.2 Ų57.242%0.42129%0.29SS..Hα-helixtrans-61.7-40.9177.3-69.3-178.16.400112I393 S394 M400 K401I393-Q397 HydrophobicContact CG2-CG 4.23Å; I393-Q397 VanDerWaalsContact CG2-NE2 3.28Å; I393-Q397 WeakPolarHBondContact O-CG 3.3Å; I393-Q397 PolarHBondContact O-N 3.44Å; S394-Q397 PolarHBondContact O-N 2.67Å; Q397-M400 PolarHBondContact O-N 2.9Å; Q397-K401 VanDerWaalsContact O-CG 3.31Å; Q397-K401 WeakPolarHBondContact O-CG 3.27Å; Q397-K401 PolarHBondContact O-N 3.39Å
398E94.9Very high93.5Very high96 Ų9660.7 Ų60.745%0.44932%0.32SS..Hα-helixtrans-60.9-50.3175.7-174176.4-179.600111.2L337 S394 R396 M400 K401 L402L337-E398 HydrophobicContact CD1-CG 3.94Å; S394-E398 WeakPolarHBondContact O-CB 3.3Å; S394-E398 PolarHBondContact O-N 2.99Å; R396-E398 VanDerWaalsContact C-N 3.32Å; R396-E398 PolarHBondContact O-N 2.92Å; E398-M400 VanDerWaalsContact C-N 3.3Å; E398-M400 PolarHBondContact O-N 3.38Å; E398-K401 WeakPolarHBondContact O-CB 3.49Å; E398-K401 PolarHBondContact O-N 2.97Å; E398-K401 VanDerWaalsContact O-N 3.1Å; E398-L402 WeakPolarHBondContact O-CG 3.49Å; E398-L402 PolarHBondContact O-N 2.54Å
399K94.3Very high93Very high15 Ų1567.7 Ų67.77%0.06535%0.35CS..Hα-helixtrans-65.2-32.1178.7-162.6171-179.6171.10113.2E330 P332 L337 P395 R396 L402 G403 Q404 I405E330-K399 VanDerWaalsContact CD-NZ 3.27Å; E330-K399 IonicContact OE1-NZ 2.8Å; E330-K399 PolarHBondContact OE1-NZ 3.35Å; E330-K399 IonicContact OE2-NZ 3.2Å; E330-K399 PolarHBondContact OE2-NZ 3.27Å; P332-K399 HydrophobicContact CB-CD 3.91Å; P332-K399 HydrophobicContact CG-CB 4.21Å; P332-K399 HydrophobicContact CG-CD 3.95Å; L337-K399 HydrophobicContact CB-CD 4.49Å; L337-K399 PolarHBondContact O-NZ 3.32Å; P395-K399 WeakPolarHBondContact O-CB 3.44Å; P395-K399 PolarHBondContact O-N 3.45Å; R396-K399 PolarHBondContact O-N 2.9Å; K399-L402 PolarHBondContact O-N 3.32Å; K399-G403 PolarHBondContact O-N 3.09Å; K399-Q404 HydrophobicContact CD-CB 4.41Å; K399-Q404 HydrophobicContact CG-CB 3.6Å; K399-Q404 PolarHBondContact O-N 3.43Å; K399-I405 HydrophobicContact CB-CD1 3.93Å; K399-I405 HydrophobicContact CB-CG1 4.25Å; K399-I405 HydrophobicContact CD-CD1 3.89Å; K399-I405 HydrophobicContact CD-CG1 3.94Å; K399-I405 HydrophobicContact CG-CD1 4.01Å; K399-I405 HydrophobicContact CG-CG1 3.89Å; K399-I405 PolarHBondContact O-N 2.86Å
400M93.4Very high92.8Very high50 Ų5065.6 Ų65.625%0.24634%0.341CS..Hα-helixtrans-66-42.8170.2-73.4172-174.900112R396 Q397 E398 L402 G403 I405 E410R396-M400 WeakPolarHBondContact O-CB 3.34Å; R396-M400 WeakPolarHBondContact O-CG 3.39Å; R396-M400 PolarHBondContact O-N 3.2Å; Q397-M400 PolarHBondContact O-N 2.9Å; E398-M400 VanDerWaalsContact C-N 3.3Å; E398-M400 PolarHBondContact O-N 3.38Å; M400-L402 PolarHBondContact O-N 2.71Å; M400-G403 PolarHBondContact O-N 2.81Å; M400-I405 HydrophobicContact CE-CG2 3.78Å; M400-I405 HydrophobicContact CG-CB 3.74Å; M400-I405 HydrophobicContact CG-CG2 3.67Å; M400-E410 WeakPolarHBondContact CE-OE2 3.17Å
401K93.4Very high92.6Very high178 Ų17861.2 Ų61.277%0.77432%0.323SS*.Hα-helixtrans-62.8-33.2176.2-74.1172.8-175.81780112.1Q397 E398 G403Q397-K401 VanDerWaalsContact O-CG 3.31Å; Q397-K401 WeakPolarHBondContact O-CG 3.27Å; Q397-K401 PolarHBondContact O-N 3.39Å; E398-K401 WeakPolarHBondContact O-CB 3.49Å; E398-K401 PolarHBondContact O-N 2.97Å; E398-K401 VanDerWaalsContact O-N 3.1Å; K401-G403 PolarHBondContact O-N 3.32Å
402L93.4Very high92.4Very high103 Ų10360.2 Ų60.254%0.53932%0.319SS..THydrogen-bonded Turntrans-75.2-1.4173.9-63.5172.9000113.5L337 E398 K399 M400 Q404L337-L402 HydrophobicContact CD1-CD1 3.91Å; E398-L402 WeakPolarHBondContact O-CG 3.49Å; E398-L402 PolarHBondContact O-N 2.54Å; K399-L402 PolarHBondContact O-N 3.32Å; M400-L402 PolarHBondContact O-N 2.71Å; L402-Q404 HydrophobicContact CB-CG 4.15Å; L402-Q404 PolarHBondContact O-N 3.22Å
403G90.6Very high92.2Very high63 Ų6360.9 Ų60.965%0.64932%0.323SS*.THydrogen-bonded Turntrans69.611.3-177.400000114.3K399 M400 K401K399-G403 PolarHBondContact O-N 3.09Å; M400-G403 PolarHBondContact O-N 2.81Å; K401-G403 PolarHBondContact O-N 3.32Å
404Q90Very high92.1Very high116 Ų11661 Ų6154%0.54233%0.325SS..SBendtrans-87.5-17.1-178.4-68-179.1-10.700112.8K399 L402K399-Q404 HydrophobicContact CD-CB 4.41Å; K399-Q404 HydrophobicContact CG-CB 3.6Å; K399-Q404 PolarHBondContact O-N 3.43Å; L402-Q404 HydrophobicContact CB-CG 4.15Å; L402-Q404 PolarHBondContact O-N 3.22Å
405I89.1Confident92Very high13 Ų1364 Ų647%0.06733%0.329CS..SBendtrans-115122.8165.3-70.7173.5000108.2E330 K399 M400 E410E330-I405 HydrophobicContact CB-CD1 4.09Å; E330-I405 HydrophobicContact CB-CG1 4.41Å; K399-I405 HydrophobicContact CB-CD1 3.93Å; K399-I405 HydrophobicContact CB-CG1 4.25Å; K399-I405 HydrophobicContact CD-CD1 3.89Å; K399-I405 HydrophobicContact CD-CG1 3.94Å; K399-I405 HydrophobicContact CG-CD1 4.01Å; K399-I405 HydrophobicContact CG-CG1 3.89Å; K399-I405 PolarHBondContact O-N 2.86Å; M400-I405 HydrophobicContact CE-CG2 3.78Å; M400-I405 HydrophobicContact CG-CB 3.74Å; M400-I405 HydrophobicContact CG-CG2 3.67Å; I405-E410 HydrophobicContact CG2-CG 4.37Å
406D88.2Confident91.9Very high79 Ų7966.6 Ų66.642%0.42234%0.343SS..  trans-92.3107.5172.1-178.3-3.5000110A408 K409D406-A408 PolarHBondContact O-N 3.26Å; D406-A408 WeakPolarHBondContact OD1-CB 3.45Å; D406-A408 PolarHBondContact OD1-N 3.37Å; D406-K409 HydrophobicContact CB-CB 4.4Å; D406-K409 HydrophobicContact CB-CD 4.06Å; D406-K409 HydrophobicContact CB-CG 4.21Å; D406-K409 PolarHBondContact O-N 3.16Å; D406-K409 WeakPolarHBondContact OD2-CD 3.19Å; D406-K409 WeakPolarHBondContact OD2-CE 3.46Å; D406-K409 WeakPolarHBondContact OD2-CG 3.42Å; D406-K409 IonicContact OD2-NZ 3.64Å
407K85.8Confident91.8Very high123 Ų12366.6 Ų66.654%0.53534%0.343SS..THydrogen-bonded Turntrans-60.4-25.6-179-171.5177.2178.2-176.60113.3K409K407-K409 VanDerWaalsContact C-N 3.29Å
408A84.9Confident91.7Very high90 Ų9064.6 Ų64.674%0.74434%0.338SS*.THydrogen-bonded Turntrans-75.8-19.5179.200000112.8D406D406-A408 PolarHBondContact O-N 3.26Å; D406-A408 WeakPolarHBondContact OD1-CB 3.45Å; D406-A408 PolarHBondContact OD1-N 3.37Å
409K87.4Confident91.7Very high149 Ų14961 Ų6165%0.64832%0.321SS*.THydrogen-bonded Turntrans-90.6-14.4177.2-67.5179.5-174.9169.90113.2D406 K407D406-K409 HydrophobicContact CB-CB 4.4Å; D406-K409 HydrophobicContact CB-CD 4.06Å; D406-K409 HydrophobicContact CB-CG 4.21Å; D406-K409 PolarHBondContact O-N 3.16Å; D406-K409 WeakPolarHBondContact OD2-CD 3.19Å; D406-K409 WeakPolarHBondContact OD2-CE 3.46Å; D406-K409 WeakPolarHBondContact OD2-CG 3.42Å; D406-K409 IonicContact OD2-NZ 3.64Å; K407-K409 VanDerWaalsContact C-N 3.29Å
410E91.4Very high91.6Very high20 Ų2063.8 Ų63.89%0.09333%0.333CS..SBendtrans-71.8141.7176.6-63.3-163.3136.700110.8L329 R396 M400 I405 F412L329-E410 HydrophobicContact CD1-CB 4.32Å; L329-E410 HydrophobicContact CD1-CG 4.36Å; R396-E410 IonicContact CZ-OE1 3.71Å; R396-E410 IonicContact CZ-OE2 2.67Å; R396-E410 IonicContact NH2-OE1 2.69Å; R396-E410 PolarHBondContact NH2-OE1 2.87Å; R396-E410 IonicContact NH2-OE2 3.18Å; R396-E410 PolarHBondContact NH2-OE2 3.4Å; M400-E410 WeakPolarHBondContact CE-OE2 3.17Å; I405-E410 HydrophobicContact CG2-CG 4.37Å; E410-F412 VanDerWaalsContact C-N 3.28Å; E410-F412 PolarHBondContact O-N 3.08Å
411P92Very high91.6Very high17 Ų1765.9 Ų65.911%0.1135%0.345CS..SBendtrans-64-34.2-179.324.3-33.7000112.6V242 K243 V245 I326 A327 L329V242-P411 HydrophobicContact CG1-CB 3.9Å; V242-P411 VanDerWaalsContact CG1-O 3.29Å; V242-P411 WeakPolarHBondContact CG1-O 3.2Å; K243-P411 VanDerWaalsContact O-CB 3.27Å; K243-P411 WeakPolarHBondContact O-CB 3.31Å; V245-P411 HydrophobicContact CG2-CB 4.36Å; I326-P411 HydrophobicContact CG2-CB 4.39Å; I326-P411 HydrophobicContact CG2-CG 3.47Å; I326-P411 VanDerWaalsContact CG2-CG 3.47Å; A327-P411 WeakPolarHBondContact O-CD 3.45Å; L329-P411 HydrophobicContact CB-CG 4.34Å
412F93.9Very high91.5Very high7 Ų758.1 Ų58.13%0.03131%0.312CS..SBendtrans-157.8160.6178.449.1-100.4000111F236 V242 M306 M316 I326 L329 M350 P361 Y363 E410 V414F236-F412 HydrophobicContact CE1-CD1 4.31Å; F236-F412 HydrophobicContact CE1-CE1 4.11Å; F236-F412 HydrophobicContact CZ-CD1 4.48Å; F236-F412 AromaticContact CZ-CE1 3.88Å; F236-F412 HydrophobicContact CZ-CE1 3.88Å; V242-F412 HydrophobicContact CG1-CD1 4.25Å; M306-F412 HydrophobicContact CE-CE2 3.88Å; M306-F412 HydrophobicContact CE-CZ 4.05Å; M316-F412 HydrophobicContact CE-CZ 4.35Å; I326-F412 HydrophobicContact CD1-CE1 4.12Å; I326-F412 HydrophobicContact CD1-CZ 4.45Å; I326-F412 HydrophobicContact CG1-CE1 4.44Å; I326-F412 HydrophobicContact CG1-CZ 4.35Å; I326-F412 HydrophobicContact CG2-CE1 3.73Å; I326-F412 HydrophobicContact CG2-CZ 3.84Å; L329-F412 HydrophobicContact CD2-CE2 3.63Å; L329-F412 HydrophobicContact CD2-CZ 3.73Å; M350-F412 HydrophobicContact CE-CD1 3.84Å; M350-F412 HydrophobicContact CE-CD2 3.87Å; M350-F412 HydrophobicContact CE-CE1 3.83Å; M350-F412 HydrophobicContact CE-CE2 3.86Å; M350-F412 HydrophobicContact CE-CG 3.85Å; M350-F412 HydrophobicContact CE-CZ 3.84Å; M350-F412 HydrophobicContact SD-CB 4.46Å; M350-F412 HydrophobicContact SD-CD2 4.5Å; M350-F412 HydrophobicContact SD-CG 4.28Å; P361-F412 HydrophobicContact CB-CB 3.9Å; P361-F412 HydrophobicContact CG-CB 3.89Å; P361-F412 WeakPolarHBondContact O-CB 3.45Å; Y363-F412 HydrophobicContact CG-CE2 4.48Å; E410-F412 VanDerWaalsContact C-N 3.28Å; E410-F412 PolarHBondContact O-N 3.08Å; F412-V414 HydrophobicContact CD2-CG2 4.15Å; F412-V414 HydrophobicContact CE2-CG2 3.99Å
413S92.6Very high91.2Very high14 Ų1457 Ų5710%0.09830%0.304CS..EExtended strand (participates in β ladder)trans-78.9132.6177.2179.50000110.8P361 R362 Y363P361-S413 PolarHBondContact O-N 3.09Å; R362-S413 CarbonylContact C-O 3.43Å; R362-S413 WeakPolarHBondContact CA-O 3.44Å; R362-S413 PolarHBondContact NH1-OG 3.49Å; Y363-S413 PolarHBondContact N-O 3.45Å
414V95.6Very high91.1Very high9 Ų955.1 Ų55.16%0.05528%0.282CS..EExtended strand (participates in β ladder)trans-101131.9171-179.10000110.1L329 F331 Y363 I365 I393 F412L329-V414 HydrophobicContact CD1-CG2 4.06Å; L329-V414 HydrophobicContact CD2-CG2 4.07Å; F331-V414 HydrophobicContact CE1-CG1 4.41Å; F331-V414 HydrophobicContact CZ-CG2 4.25Å; Y363-V414 HydrophobicContact CD1-CG1 4.25Å; Y363-V414 WeakPolarHBondContact O-CA 3.48Å; I365-V414 HydrophobicContact CD1-CG1 3.4Å; I365-V414 HydrophobicContact CG1-CG1 4.03Å; I393-V414 HydrophobicContact CD1-CG1 4.25Å; F412-V414 HydrophobicContact CD2-CG2 4.15Å; F412-V414 HydrophobicContact CE2-CG2 3.99Å
415R94.6Very high91.1Very high104 Ų10449.6 Ų49.639%0.39226%0.256SS..EExtended strand (participates in β ladder)trans-140.2156.9178-64-179174.5-178.5-7.9110Y363 L364 I365Y363-R415 PolarHBondContact O-N 3.22Å; L364-R415 CarbonylContact C-O 3.52Å; L364-R415 WeakPolarHBondContact CA-O 3.5Å; L364-R415 HydrophobicContact CD2-CB 3.89Å; I365-R415 PolarHBondContact N-O 3.28Å
416N94.4Very high91Very high55 Ų5553.5 Ų53.529%0.29427%0.27SS..EExtended strand (participates in β ladder)trans-80.7144.3164.359-29.8000110.6I365 I388 E389 I393 P418I365-N416 CarbonylContact O-C 3.54Å; I365-N416 WeakPolarHBondContact O-CA 3.18Å; I388-N416 HydrophobicContact CG2-CB 3.88Å; E389-N416 VanDerWaalsContact OE2-CG 3.27Å; E389-N416 PolarHBondContact OE2-ND2 2.94Å; I393-N416 HydrophobicContact CG1-CB 4.03Å; N416-P418 WeakPolarHBondContact O-CD 3.49Å
417K93.7Very high90.9Very high7 Ų757.4 Ų57.43%0.0328%0.283CS..PPolyproline II helixtrans-85.1116.5169.4-164.1170-173.9175.30107.9S296 W297 E349 L364 I365 F419S296-K417 VanDerWaalsContact OG-CE 3.29Å; S296-K417 WeakPolarHBondContact OG-CE 3.38Å; W297-K417 HydrophobicContact CZ2-CG 4.49Å; W297-K417 WeakPolarHBondContact O-CE 3.49Å; W297-K417 PolarHBondContact O-NZ 2.99Å; E349-K417 IonicContact OE2-NZ 2.54Å; E349-K417 PolarHBondContact OE2-NZ 3.06Å; L364-K417 HydrophobicContact CB-CB 4.29Å; I365-K417 PolarHBondContact O-N 3.47Å; K417-F419 HydrophobicContact CB-CE2 4.37Å; K417-F419 WeakPolarHBondContact O-CD2 3.39Å
418P92Very high90.9Very high48 Ų4851.8 Ų51.831%0.31226%0.259SS..PPolyproline II helixtrans-72.6138.1-179.230.3-35000110.5S296 W297 N416 F420S296-P418 PolarHBondContact OG-O 3.11Å; W297-P418 HydrophobicContact CH2-CG 3.4Å; W297-P418 VanDerWaalsContact CH2-CG 3.4Å; W297-P418 HydrophobicContact CZ3-CG 3.5Å; N416-P418 WeakPolarHBondContact O-CD 3.49Å; P418-F420 HydrophobicContact CB-CE1 4.38Å; P418-F420 HydrophobicContact CB-CE2 4.13Å; P418-F420 HydrophobicContact CB-CZ 3.76Å; P418-F420 HydrophobicContact CG-CE2 4.11Å; P418-F420 HydrophobicContact CG-CZ 3.89Å
419F94.3Very high90.8Very high20 Ų2049.1 Ų49.19%0.08823%0.232CC..  trans-116.1136.5174-80.1-98.4000109.9K294 F381 L385 K417 I445 Q447K294-F419 HydrophobicContact CB-CB 4.04Å; K294-F419 HydrophobicContact CB-CD1 4.05Å; K294-F419 HydrophobicContact CB-CG 4.48Å; K294-F419 HydrophobicContact CD-CB 3.82Å; F381-F419 HydrophobicContact CE1-CB 4.25Å; F381-F419 AromaticContact CE1-CD1 3.78Å; F381-F419 HydrophobicContact CE1-CD1 3.78Å; F381-F419 HydrophobicContact CE1-CD2 4.21Å; F381-F419 HydrophobicContact CE1-CE1 4.13Å; F381-F419 AromaticContact CE1-CG 3.82Å; F381-F419 HydrophobicContact CE1-CG 3.82Å; F381-F419 HydrophobicContact CE1-CZ 4.49Å; F381-F419 AromaticContact CZ-CD1 3.94Å; F381-F419 HydrophobicContact CZ-CD1 3.94Å; F381-F419 AromaticContact CZ-CD2 3.79Å; F381-F419 HydrophobicContact CZ-CD2 3.79Å; F381-F419 AromaticContact CZ-CE1 3.92Å; F381-F419 HydrophobicContact CZ-CE1 3.92Å; F381-F419 AromaticContact CZ-CE2 3.77Å; F381-F419 HydrophobicContact CZ-CE2 3.77Å; F381-F419 AromaticContact CZ-CG 3.86Å; F381-F419 HydrophobicContact CZ-CG 3.86Å; F381-F419 AromaticContact CZ-CZ 3.83Å; F381-F419 HydrophobicContact CZ-CZ 3.83Å; L385-F419 HydrophobicContact CD1-CB 3.83Å; L385-F419 HydrophobicContact CD1-CD2 4.3Å; L385-F419 HydrophobicContact CD1-CG 4.3Å; L385-F419 HydrophobicContact CD2-CD2 3.76Å; L385-F419 HydrophobicContact CD2-CE2 4.29Å; K417-F419 HydrophobicContact CB-CE2 4.37Å; K417-F419 WeakPolarHBondContact O-CD2 3.39Å; F419-I445 HydrophobicContact CE1-CG2 4.27Å; F419-Q447 HydrophobicContact CD1-CB 4.3Å; F419-Q447 HydrophobicContact CE1-CB 3.79Å
420F93.7Very high90.3Very high75 Ų7546.7 Ų46.733%0.32922%0.223SC..EExtended strand (participates in β ladder)trans-115.6169.8-175.9-51-82.2000110.5K294 V295 W297 P418 A424 L428K294-F420 CarbonylContact C-O 3.59Å; K294-F420 VanDerWaalsContact CA-O 3.3Å; K294-F420 WeakPolarHBondContact CA-O 2.96Å; K294-F420 WeakPolarHBondContact CB-O 3.29Å; V295-F420 HydrophobicContact CG1-CB 4.48Å; V295-F420 PolarHBondContact N-O 3.27Å; V295-F420 PolarHBondContact O-N 3.21Å; W297-F420 HydrophobicContact CE3-CE2 4.47Å; W297-F420 HydrophobicContact CZ3-CE2 4.01Å; P418-F420 HydrophobicContact CB-CE1 4.38Å; P418-F420 HydrophobicContact CB-CE2 4.13Å; P418-F420 HydrophobicContact CB-CZ 3.76Å; P418-F420 HydrophobicContact CG-CE2 4.11Å; P418-F420 HydrophobicContact CG-CZ 3.89Å; F420-A424 HydrophobicContact CB-CB 3.5Å; F420-A424 VanDerWaalsContact CB-CB 3.5Å; F420-A424 HydrophobicContact CG-CB 4.18Å; F420-L428 HydrophobicContact CD2-CD1 4.15Å; F420-L428 HydrophobicContact CD2-CD2 4.13Å; F420-L428 HydrophobicContact CE2-CD2 3.97Å
421D92.4Very high89Confident93 Ų9347.1 Ų47.150%0.49723%0.233SC..EExtended strand (participates in β ladder)trans-60.5147.7165.9-177.1-88.5000111V295 H423 A424V295-D421 VanDerWaalsContact CG1-O 3.25Å; V295-D421 WeakPolarHBondContact CG1-O 3.45Å; D421-H423 PolarHBondContact O-N 3.4Å; D421-H423 WeakPolarHBondContact OD1-CB 3.44Å; D421-H423 IonicContact OD1-CD2 3.15Å; D421-H423 PolarHBondContact OD1-CD2 3.43Å; D421-H423 IonicContact OD1-CG 2.71Å; D421-H423 PolarHBondContact OD1-N 2.7Å; D421-H423 IonicContact OD1-NE2 3.65Å; D421-A424 WeakPolarHBondContact O-CB 3.42Å; D421-A424 PolarHBondContact O-N 3.01Å
422I90.9Very high87.6Confident15 Ų1550.2 Ų50.28%0.07726%0.255CS..G310 helixtrans-54.7-28-177.161.2175.3000113.3Y293 A424 S425 F446 L566Y293-I422 WeakPolarHBondContact O-CG2 3.48Å; I422-A424 PolarHBondContact O-N 2.93Å; I422-S425 VanDerWaalsContact O-CB 3.24Å; I422-S425 WeakPolarHBondContact O-CB 3.4Å; I422-S425 PolarHBondContact O-N 3.12Å; I422-S425 VanDerWaalsContact O-N 3.11Å; I422-S425 PolarHBondContact O-OG 3.22Å; I422-F446 HydrophobicContact CG2-CD1 4.3Å; I422-L566 HydrophobicContact CB-CD2 3.95Å; I422-L566 HydrophobicContact CD1-CD2 3.95Å; I422-L566 HydrophobicContact CG1-CD2 4.17Å
423H87.8Confident86.6Confident81 Ų8151.4 Ų51.438%0.37526%0.26SS..G310 helixtrans-70.7-15.9177.8-58.2-53.3000113.1D421 S425 L566 A570D421-H423 PolarHBondContact O-N 3.4Å; D421-H423 WeakPolarHBondContact OD1-CB 3.44Å; D421-H423 IonicContact OD1-CD2 3.15Å; D421-H423 PolarHBondContact OD1-CD2 3.43Å; D421-H423 IonicContact OD1-CG 2.71Å; D421-H423 PolarHBondContact OD1-N 2.7Å; D421-H423 IonicContact OD1-NE2 3.65Å; H423-S425 PolarHBondContact O-N 2.81Å; H423-L566 PolarHBondContact CE1-O 3.02Å; H423-L566 VanDerWaalsContact CE1-O 3.28Å; H423-A570 VanDerWaalsContact CE1-CB 3.49Å; H423-A570 WeakPolarHBondContact CE1-CB 3.39Å
424A89.4Confident85.3Confident22 Ų2253.8 Ų53.818%0.18227%0.274CS..G310 helixtrans-70.5-12.3171.200000113.1F420 D421 I422 R426 K427 L428F420-A424 HydrophobicContact CB-CB 3.5Å; F420-A424 VanDerWaalsContact CB-CB 3.5Å; F420-A424 HydrophobicContact CG-CB 4.18Å; D421-A424 WeakPolarHBondContact O-CB 3.42Å; D421-A424 PolarHBondContact O-N 3.01Å; I422-A424 PolarHBondContact O-N 2.93Å; A424-R426 PolarHBondContact O-N 3.13Å; A424-R426 VanDerWaalsContact O-N 3.11Å; A424-K427 PolarHBondContact O-N 2.86Å; A424-L428 WeakPolarHBondContact O-CG 3.49Å; A424-L428 PolarHBondContact O-N 3.33Å
425S89Confident83.7Confident0 Ų058.3 Ų58.30%031%0.306CS..Hα-helixtrans-50-39.1178.9-60.70000112.8I422 H423 L428 L429I422-S425 VanDerWaalsContact O-CB 3.24Å; I422-S425 WeakPolarHBondContact O-CB 3.4Å; I422-S425 PolarHBondContact O-N 3.12Å; I422-S425 VanDerWaalsContact O-N 3.11Å; I422-S425 PolarHBondContact O-OG 3.22Å; H423-S425 PolarHBondContact O-N 2.81Å; S425-L428 PolarHBondContact O-N 2.8Å; S425-L429 PolarHBondContact O-N 3.48Å
426R87.5Confident82.5Confident95 Ų9560 Ų6036%0.35832%0.319SS..Hα-helixtrans-62.3-48.3177-168.4-178.9-68.5-84.19111.8A424 L428 L429 E430 F563 D567A424-R426 PolarHBondContact O-N 3.13Å; A424-R426 VanDerWaalsContact O-N 3.11Å; R426-L428 VanDerWaalsContact C-N 3.3Å; R426-L428 PolarHBondContact O-N 2.89Å; R426-L429 PolarHBondContact O-N 3.47Å; R426-E430 WeakPolarHBondContact CG-OE2 3.03Å; R426-E430 IonicContact NH1-OE2 3.73Å; R426-E430 PolarHBondContact NH1-OE2 3.5Å; R426-E430 WeakPolarHBondContact O-CB 3.38Å; R426-E430 PolarHBondContact O-N 2.78Å; R426-F563 HydrophobicContact CB-CD1 4.41Å; R426-F563 HydrophobicContact CB-CE1 4.04Å; R426-F563 HydrophobicContact CB-CZ 4.14Å; R426-F563 HydrophobicContact CG-CE1 4.46Å; R426-F563 HydrophobicContact CG-CE2 4.13Å; R426-F563 HydrophobicContact CG-CZ 4.11Å; R426-F563 VanDerWaalsContact NH1-CD2 3.3Å; R426-D567 IonicContact NH2-OD2 2.76Å; R426-D567 PolarHBondContact NH2-OD2 2.88Å
427K86.4Confident81.3Confident162 Ų16258.6 Ų58.670%0.70431%0.312SS*.Hα-helixtrans-64.6-33.9178.1-66.2-178.5179.7177.50112.4A424 L429 G431A424-K427 PolarHBondContact O-N 2.86Å; K427-L429 VanDerWaalsContact C-N 3.34Å; K427-G431 VanDerWaalsContact O-CA 3.26Å; K427-G431 WeakPolarHBondContact O-CA 3.28Å; K427-G431 PolarHBondContact O-N 3.28Å
428L85.6Confident80.3Confident5 Ų560.6 Ų60.63%0.02633%0.327CS..Hα-helixtrans-69.3-29.6178.3-68.2174.6000113.1V295 W297 F420 A424 S425 R426 F433 L444V295-L428 HydrophobicContact CG1-CD1 3.99Å; V295-L428 HydrophobicContact CG2-CD1 4.29Å; W297-L428 HydrophobicContact CE3-CD2 4.15Å; F420-L428 HydrophobicContact CD2-CD1 4.15Å; F420-L428 HydrophobicContact CD2-CD2 4.13Å; F420-L428 HydrophobicContact CE2-CD2 3.97Å; A424-L428 WeakPolarHBondContact O-CG 3.49Å; A424-L428 PolarHBondContact O-N 3.33Å; S425-L428 PolarHBondContact O-N 2.8Å; R426-L428 VanDerWaalsContact C-N 3.3Å; R426-L428 PolarHBondContact O-N 2.89Å; L428-F433 HydrophobicContact CD2-CD1 3.65Å; L428-F433 HydrophobicContact CD2-CD2 4.1Å; L428-F433 HydrophobicContact CD2-CE1 3.8Å; L428-F433 HydrophobicContact CD2-CE2 4.22Å; L428-F433 HydrophobicContact CD2-CG 3.84Å; L428-F433 HydrophobicContact CD2-CZ 4.12Å; L428-L444 HydrophobicContact CB-CD2 3.87Å; L428-L444 HydrophobicContact CD1-CD2 4Å
429L82.3Confident79.3Confident33 Ų3359.6 Ų59.617%0.17332%0.318CS..Hα-helixtrans-101.6-28.1-178.3-66.7178.1000114.7S425 R426 K427 L444 W463 K559 F563S425-L429 PolarHBondContact O-N 3.48Å; R426-L429 PolarHBondContact O-N 3.47Å; K427-L429 VanDerWaalsContact C-N 3.34Å; L429-L444 HydrophobicContact CD1-CD1 3.62Å; L429-L444 HydrophobicContact CD1-CG 4.11Å; L429-L444 HydrophobicContact CD2-CD1 4.37Å; L429-L444 HydrophobicContact CD2-CD2 4.05Å; L429-L444 HydrophobicContact CD2-CG 3.96Å; L429-L444 HydrophobicContact CG-CD1 3.91Å; L429-L444 HydrophobicContact CG-CD2 4.12Å; L429-L444 HydrophobicContact CG-CG 4.03Å; L429-W463 HydrophobicContact CD1-CE3 4.15Å; L429-W463 HydrophobicContact CD1-CH2 3.71Å; L429-W463 HydrophobicContact CD1-CZ3 3.39Å; L429-W463 HydrophobicContact CD2-CZ3 3.75Å; L429-W463 HydrophobicContact CG-CZ3 4.23Å; L429-K559 HydrophobicContact CD1-CG 4.2Å; L429-F563 HydrophobicContact CB-CZ 4.12Å; L429-F563 HydrophobicContact CD1-CE1 3.99Å; L429-F563 HydrophobicContact CD1-CZ 3.85Å
430E76.4Confident78.3Confident99 Ų9965 Ų6546%0.46334%0.344SS..Hα-helixtrans-114.6-19.6-174.9-69.9-179.7160.800113.8R426 K559 F563R426-E430 WeakPolarHBondContact CG-OE2 3.03Å; R426-E430 IonicContact NH1-OE2 3.73Å; R426-E430 PolarHBondContact NH1-OE2 3.5Å; R426-E430 WeakPolarHBondContact O-CB 3.38Å; R426-E430 PolarHBondContact O-N 2.78Å; E430-K559 VanDerWaalsContact CD-NZ 3.3Å; E430-K559 VanDerWaalsContact CG-CE 3.43Å; E430-K559 WeakPolarHBondContact OE1-CE 3.46Å; E430-K559 IonicContact OE1-NZ 3.94Å; E430-K559 PolarHBondContact OE1-NZ 3.35Å; E430-F563 HydrophobicContact CG-CE2 4.29Å; E430-F563 HydrophobicContact CG-CZ 4.49Å; E430-F563 WeakPolarHBondContact OE1-CE2 3.38Å
431G64.8Low77.7Confident29 Ų2963 Ų6330%0.29934%0.337SS..SBendtrans-81.7177.5-174.100000113.1K427 F433 T434K427-G431 VanDerWaalsContact O-CA 3.26Å; K427-G431 WeakPolarHBondContact O-CA 3.28Å; K427-G431 PolarHBondContact O-N 3.28Å; G431-F433 PolarHBondContact O-N 3.08Å; G431-T434 PolarHBondContact O-OG1 3.44Å
432S63.1Low77Confident81 Ų8159 Ų5957%0.56632%0.316SS*.THydrogen-bonded Turntrans-62.50.2169.755.10000114.1S435 Q436S432-S435 WeakPolarHBondContact O-CB 3.45Å; S432-S435 PolarHBondContact O-N 3.15Å; S432-Q436 WeakPolarHBondContact O-CG 3.46Å; S432-Q436 PolarHBondContact O-N 2.97Å; S432-Q436 VanDerWaalsContact O-N 3.16Å
433F71.3Confident77Confident32 Ų3258.4 Ų58.414%0.1431%0.313CS..Hα-helixtrans-61.6-43.1179.7-176.9-94.3000112.2W297 L428 G431 S435 Q436 V437W297-F433 HydrophobicContact CB-CE1 4.32Å; W297-F433 AromaticContact CD2-CE1 3.65Å; W297-F433 HydrophobicContact CD2-CE1 3.65Å; W297-F433 AromaticContact CD2-CZ 3.72Å; W297-F433 HydrophobicContact CD2-CZ 3.72Å; W297-F433 AromaticContact CE3-CE1 3.42Å; W297-F433 HydrophobicContact CE3-CE1 3.42Å; W297-F433 VanDerWaalsContact CE3-CE1 3.42Å; W297-F433 HydrophobicContact CE3-CE2 4.22Å; W297-F433 AromaticContact CE3-CZ 3.2Å; W297-F433 HydrophobicContact CE3-CZ 3.2Å; W297-F433 HydrophobicContact CG-CE1 4.05Å; W297-F433 HydrophobicContact CH2-CE1 4.48Å; W297-F433 HydrophobicContact CH2-CE2 4.36Å; W297-F433 AromaticContact CH2-CZ 3.58Å; W297-F433 HydrophobicContact CH2-CZ 3.58Å; W297-F433 HydrophobicContact CZ2-CZ 4.11Å; W297-F433 AromaticContact CZ3-CE1 3.87Å; W297-F433 HydrophobicContact CZ3-CE1 3.87Å; W297-F433 AromaticContact CZ3-CE2 3.86Å; W297-F433 HydrophobicContact CZ3-CE2 3.86Å; W297-F433 AromaticContact CZ3-CZ 3.11Å; W297-F433 HydrophobicContact CZ3-CZ 3.11Å; L428-F433 HydrophobicContact CD2-CD1 3.65Å; L428-F433 HydrophobicContact CD2-CD2 4.1Å; L428-F433 HydrophobicContact CD2-CE1 3.8Å; L428-F433 HydrophobicContact CD2-CE2 4.22Å; L428-F433 HydrophobicContact CD2-CG 3.84Å; L428-F433 HydrophobicContact CD2-CZ 4.12Å; G431-F433 PolarHBondContact O-N 3.08Å; F433-S435 PolarHBondContact O-N 3.36Å; F433-Q436 WeakPolarHBondContact O-CB 3.33Å; F433-Q436 PolarHBondContact O-N 2.64Å; F433-V437 HydrophobicContact CE1-CG1 3.68Å; F433-V437 HydrophobicContact CE1-CG2 4.44Å; F433-V437 HydrophobicContact CE2-CG1 4.28Å; F433-V437 HydrophobicContact CZ-CG1 3.48Å; F433-V437 VanDerWaalsContact CZ-CG1 3.48Å; F433-V437 PolarHBondContact O-N 3.43Å
434T66.1Low77.2Confident64 Ų6454.6 Ų54.639%0.39330%0.296SS..Hα-helixtrans-61.6-28.9176.749.30000112.2G431 V437G431-T434 PolarHBondContact O-OG1 3.44Å; T434-V437 WeakPolarHBondContact O-CG2 3.45Å
435S62.4Low77.5Confident105 Ų10554.6 Ų54.673%0.73429%0.293SS*.Hα-helixtrans-80.4-17173.2-47.80000113.8S432 F433S432-S435 WeakPolarHBondContact O-CB 3.45Å; S432-S435 PolarHBondContact O-N 3.15Å; F433-S435 PolarHBondContact O-N 3.36Å
436Q69.8Low77.8Confident140 Ų14054.6 Ų54.665%0.65429%0.293SS*.Hα-helixtrans-87.7-18.4177.3-71171.413.400112.8S432 F433S432-Q436 WeakPolarHBondContact O-CG 3.46Å; S432-Q436 PolarHBondContact O-N 2.97Å; S432-Q436 VanDerWaalsContact O-N 3.16Å; F433-Q436 WeakPolarHBondContact O-CB 3.33Å; F433-Q436 PolarHBondContact O-N 2.64Å
437V69.3Low78.2Confident24 Ų2450.6 Ų50.615%0.14528%0.278CS..  trans-95.3133174.5-66.90000110W297 F433 T434 H439 V441W297-V437 HydrophobicContact CZ2-CG1 4.39Å; F433-V437 HydrophobicContact CE1-CG1 3.68Å; F433-V437 HydrophobicContact CE1-CG2 4.44Å; F433-V437 HydrophobicContact CE2-CG1 4.28Å; F433-V437 HydrophobicContact CZ-CG1 3.48Å; F433-V437 VanDerWaalsContact CZ-CG1 3.48Å; F433-V437 PolarHBondContact O-N 3.43Å; T434-V437 WeakPolarHBondContact O-CG2 3.45Å; V437-H439 VanDerWaalsContact C-N 3.28Å; V437-V441 HydrophobicContact CG2-CG2 3.64Å
438S70.9Confident78.6Confident50 Ų5043.5 Ų43.535%0.3525%0.248SC..SBendtrans-9111.5-178.442.30000113.6D353 K354D353-S438 WeakPolarHBondContact CB-OG 3.43Å; D353-S438 VanDerWaalsContact OD1-C 3.31Å; D353-S438 WeakPolarHBondContact OD1-CB 3.39Å; D353-S438 PolarHBondContact OD1-OG 3.43Å; D353-S438 PolarHBondContact OD2-OG 2.75Å; K354-S438 PolarHBondContact N-O 3.38Å
439H72.8Confident79Confident27 Ų2743.6 Ų43.613%0.12525%0.25CC..SBendtrans-129158.7179.163.4-90.5000110.3W297 I351 D353 V437W297-H439 AromaticContact CD1-NE2 3.6Å; W297-H439 AromaticContact CE2-NE2 3.93Å; W297-H439 AromaticContact NE1-CE1 3.61Å; W297-H439 AromaticContact NE1-NE2 2.99Å; W297-H439 PolarHBondContact NE1-NE2 3.48Å; I351-H439 HydrophobicContact CD1-CB 4.15Å; I351-H439 VanDerWaalsContact CD1-ND1 3.33Å; I351-H439 WeakPolarHBondContact CD1-ND1 3.17Å; D353-H439 WeakPolarHBondContact OD1-CB 3.44Å; D353-H439 IonicContact OD1-CG 3.94Å; D353-H439 PolarHBondContact OD1-N 3.06Å; D353-H439 IonicContact OD1-ND1 2.89Å; D353-H439 PolarHBondContact OD1-ND1 3.42Å; V437-H439 VanDerWaalsContact C-N 3.28Å
440E72Confident79.5Confident134 Ų13444 Ų4463%0.62626%0.261SS*.  trans-71.3132.9-177.1-167.6172.2174.600111.9D300D300-E440 PolarHBondContact N-O 3.05Å
441V80.7Confident80.4Confident32 Ų3246.8 Ų46.819%0.19427%0.268CS..EExtended strand (participates in β ladder)trans-101.5111.9175.91750000108.8W297 K298 V437W297-V441 HydrophobicContact CB-CG1 3.83Å; W297-V441 HydrophobicContact CB-CG2 4.34Å; W297-V441 HydrophobicContact CG-CG2 4.29Å; K298-V441 WeakPolarHBondContact O-CA 3.38Å; V437-V441 HydrophobicContact CG2-CG2 3.64Å
442D79.4Confident81.8Confident10 Ų1046.2 Ų46.25%0.05326%0.257CS..EExtended strand (participates in β ladder)trans-103.27.1-173.580.4-29000113.6K298 K464K298-D442 VanDerWaalsContact CB-OD1 3.28Å; K298-D442 WeakPolarHBondContact CB-OD1 3.33Å; K298-D442 VanDerWaalsContact CD-OD1 3.23Å; K298-D442 WeakPolarHBondContact CD-OD1 3.36Å; K298-D442 WeakPolarHBondContact CG-OD1 3.43Å; K298-D442 IonicContact NZ-OD1 2.96Å; K298-D442 PolarHBondContact NZ-OD1 2.75Å; K298-D442 IonicContact NZ-OD2 2.9Å; K298-D442 PolarHBondContact NZ-OD2 2.82Å; K298-D442 PolarHBondContact O-N 3.22Å; K298-D442 VanDerWaalsContact O-N 3.11Å; D442-K464 WeakPolarHBondContact O-CG 3.33Å; D442-K464 WeakPolarHBondContact OD2-CE 3.34Å; D442-K464 IonicContact OD2-NZ 3.36Å; D442-K464 PolarHBondContact OD2-NZ 3.14Å
443G89.4Confident83.2Confident2 Ų247 Ų472%0.02125%0.25CC..EExtended strand (participates in β ladder)trans157.4-156.3177.500000114.2K298 W463K298-G443 PolarHBondContact N-O 3.2Å; G443-W463 CarbonylContact C-O 3.6Å; G443-W463 VanDerWaalsContact CA-O 3.25Å; G443-W463 WeakPolarHBondContact CA-O 3.38Å
444L92.8Very high84.2Confident0 Ų046.7 Ų46.70%025%0.253CS..EExtended strand (participates in β ladder)trans-122.5152.4175.1-63.7178000110.6V295 S296 L428 L429 F446 W463 L562V295-L444 HydrophobicContact CG2-CB 4.13Å; V295-L444 HydrophobicContact CG2-CD1 4.18Å; V295-L444 HydrophobicContact CG2-CD2 4.21Å; V295-L444 HydrophobicContact CG2-CG 4.41Å; S296-L444 WeakPolarHBondContact O-CA 3.48Å; L428-L444 HydrophobicContact CB-CD2 3.87Å; L428-L444 HydrophobicContact CD1-CD2 4Å; L429-L444 HydrophobicContact CD1-CD1 3.62Å; L429-L444 HydrophobicContact CD1-CG 4.11Å; L429-L444 HydrophobicContact CD2-CD1 4.37Å; L429-L444 HydrophobicContact CD2-CD2 4.05Å; L429-L444 HydrophobicContact CD2-CG 3.96Å; L429-L444 HydrophobicContact CG-CD1 3.91Å; L429-L444 HydrophobicContact CG-CD2 4.12Å; L429-L444 HydrophobicContact CG-CG 4.03Å; L444-F446 HydrophobicContact CB-CD2 4.41Å; L444-F446 HydrophobicContact CB-CE2 3.78Å; L444-F446 HydrophobicContact CB-CZ 4.36Å; L444-F446 HydrophobicContact CD1-CE2 4.13Å; L444-F446 HydrophobicContact CD1-CZ 3.95Å; L444-W463 HydrophobicContact CB-CB 4.44Å; L444-W463 HydrophobicContact CB-CE3 4.24Å; L444-W463 HydrophobicContact CD1-CE3 4.3Å; L444-W463 HydrophobicContact CG-CE3 4.09Å; L444-W463 PolarHBondContact N-O 2.54Å; L444-W463 PolarHBondContact O-N 2.81Å; L444-L562 HydrophobicContact CD1-CD2 4.14Å
445I94.8Very high85.3Confident23 Ų2344 Ų4412%0.11824%0.239CC..EExtended strand (participates in β ladder)trans-121.1126.6169.8-169.372.9000108.7P277 V295 S296 F419 I460 K462P277-I445 HydrophobicContact CB-CD1 3.92Å; P277-I445 HydrophobicContact CG-CD1 4.23Å; V295-I445 WeakPolarHBondContact CA-O 3.18Å; S296-I445 PolarHBondContact N-O 3.11Å; S296-I445 PolarHBondContact O-N 3.12Å; F419-I445 HydrophobicContact CE1-CG2 4.27Å; I445-I460 HydrophobicContact CD1-CG2 4.02Å; I445-I460 HydrophobicContact CG1-CG2 4.39Å; I445-K462 HydrophobicContact CD1-CB 3.87Å
446F95.8Very high86.5Confident0 Ų047.6 Ų47.60%024%0.236CC..EExtended strand (participates in β ladder)trans-106.3114.5176.8-65.3-96.2000108.5M280 L288 Y293 K294 V295 I422 L444 L461 W463 L562 L566M280-F446 HydrophobicContact CE-CD2 3.36Å; M280-F446 HydrophobicContact CE-CE2 3.51Å; M280-F446 HydrophobicContact CE-CG 4Å; M280-F446 HydrophobicContact CE-CZ 4.25Å; M280-F446 HydrophobicContact SD-CE2 4.44Å; L288-F446 HydrophobicContact CD1-CD1 4.22Å; L288-F446 HydrophobicContact CD1-CE1 4.17Å; L288-F446 HydrophobicContact CD2-CB 4.04Å; L288-F446 HydrophobicContact CD2-CD1 3.66Å; L288-F446 HydrophobicContact CD2-CE1 4.39Å; L288-F446 HydrophobicContact CD2-CG 4.01Å; Y293-F446 HydrophobicContact CD1-CB 3.81Å; Y293-F446 HydrophobicContact CE1-CB 4.23Å; K294-F446 CarbonylContact O-C 3.59Å; K294-F446 WeakPolarHBondContact O-CA 3.37Å; V295-F446 HydrophobicContact CB-CD1 4.06Å; V295-F446 HydrophobicContact CB-CE1 4.01Å; V295-F446 HydrophobicContact CG2-CD1 3.97Å; V295-F446 HydrophobicContact CG2-CE1 3.7Å; V295-F446 HydrophobicContact CG2-CE2 4.28Å; V295-F446 HydrophobicContact CG2-CG 4.37Å; V295-F446 HydrophobicContact CG2-CZ 3.87Å; I422-F446 HydrophobicContact CG2-CD1 4.3Å; L444-F446 HydrophobicContact CB-CD2 4.41Å; L444-F446 HydrophobicContact CB-CE2 3.78Å; L444-F446 HydrophobicContact CB-CZ 4.36Å; L444-F446 HydrophobicContact CD1-CE2 4.13Å; L444-F446 HydrophobicContact CD1-CZ 3.95Å; F446-L461 HydrophobicContact CB-CB 4.2Å; F446-L461 PolarHBondContact N-O 3.33Å; F446-L461 PolarHBondContact O-N 3.45Å; F446-W463 HydrophobicContact CE2-CB 4.05Å; F446-L562 HydrophobicContact CE2-CD2 4.42Å; F446-L562 HydrophobicContact CZ-CD1 4.05Å; F446-L562 HydrophobicContact CZ-CD2 4.17Å; F446-L566 HydrophobicContact CE1-CD2 4.47Å
447Q95.9Very high87.3Confident10 Ų1041 Ų415%0.04721%0.205CC..EExtended strand (participates in β ladder)trans-105.6122.2-177.5-173.764.636.900109.6Y293 K294 F381 F419Y293-Q447 CarbonylContact C-O 3.44Å; Y293-Q447 WeakPolarHBondContact CA-O 3.04Å; Y293-Q447 WeakPolarHBondContact CD1-O 3.46Å; K294-Q447 PolarHBondContact N-O 3.32Å; K294-Q447 PolarHBondContact O-N 2.89Å; F381-Q447 HydrophobicContact CD1-CB 4.39Å; F381-Q447 HydrophobicContact CD1-CG 3.85Å; F381-Q447 HydrophobicContact CD2-CG 4.09Å; F381-Q447 HydrophobicContact CE1-CB 3.89Å; F381-Q447 HydrophobicContact CE1-CG 3.58Å; F381-Q447 HydrophobicContact CE2-CG 3.84Å; F381-Q447 HydrophobicContact CG-CG 4.1Å; F381-Q447 HydrophobicContact CZ-CB 4.15Å; F381-Q447 HydrophobicContact CZ-CG 3.59Å; F419-Q447 HydrophobicContact CD1-CB 4.3Å; F419-Q447 HydrophobicContact CE1-CB 3.79Å
448P95.4Very high88.2Confident13 Ų1343.8 Ų43.88%0.08422%0.219CC..EExtended strand (participates in β ladder)trans-67147.2173.728.4-33.4000110.3Y293 G450 D459 I460Y293-P448 HydrophobicContact CD1-CB 4.32Å; Y293-P448 HydrophobicContact CE1-CB 3.86Å; Y293-P448 HydrophobicContact CE1-CG 4.25Å; Y293-P448 HydrophobicContact CE2-CB 4.37Å; P448-G450 PolarHBondContact O-N 3.48Å; P448-D459 HydrophobicContact CG-CB 4.14Å; P448-I460 HydrophobicContact CG-CG1 4.19Å
449C93.7Very high89.2Confident8 Ų843.3 Ų43.35%0.05421%0.213CC..SBendtrans-74-7.7-179.2-65.40000114.3P292 D380 F381P292-C449 HydrophobicContact CB-CB 4.17Å; P292-C449 HydrophobicContact CG-CB 4.05Å; P292-C449 PolarHBondContact O-N 3.38Å; D380-C449 CarbonylContact C-O 3.56Å; D380-C449 WeakPolarHBondContact CA-O 3.34Å; F381-C449 WeakPolarHBondContact CB-O 3.18Å; F381-C449 PolarHBondContact N-O 3.11Å
450G93.4Very high90.2Very high41 Ų4142.5 Ų42.542%0.42321%0.209SC..SBendtrans-67.5-175.7-179.800000115.2R384 P448R384-G450 PolarHBondContact NH1-O 2.85Å; P448-G450 PolarHBondContact O-N 3.48Å
451R93.9Very high91.2Very high157 Ų15736.1 Ų36.159%0.59218%0.179SC*.  trans-59.6152.417764.7176.5171.4179.6-1.5112.9
452Y95.8Very high91.7Very high18 Ų1837.2 Ų37.27%0.07118%0.182CC..  trans-64142.1172.6-172.4-91.5000110.5G274 A275 D347 D367 I369 G377G274-Y452 WeakPolarHBondContact CA-OH 3.19Å; A275-Y452 HydrophobicContact CB-CE2 3.94Å; A275-Y452 PolarHBondContact N-OH 3.34Å; D347-Y452 PolarHBondContact OD2-OH 2.8Å; D367-Y452 HydrophobicContact CB-CE2 4.48Å; D367-Y452 WeakPolarHBondContact OD2-CD2 3.5Å; I369-Y452 HydrophobicContact CD1-CE1 4.44Å; I369-Y452 HydrophobicContact CD1-CE2 4.11Å; I369-Y452 HydrophobicContact CG1-CD1 3.85Å; I369-Y452 HydrophobicContact CG1-CD2 4.18Å; I369-Y452 HydrophobicContact CG1-CE1 3.65Å; I369-Y452 HydrophobicContact CG1-CE2 3.98Å; I369-Y452 HydrophobicContact CG1-CG 4.11Å; I369-Y452 HydrophobicContact CG2-CD1 4.49Å; G377-Y452 WeakPolarHBondContact O-CB 3.17Å; G377-Y452 PolarHBondContact O-N 3.48Å
453K92.6Very high92.3Very high97 Ų9737.1 Ų37.142%0.42218%0.181SC..  trans-131.3128.4174.6-63.8173.6-170.2160.90108.7A275 C457 D459A275-K453 WeakPolarHBondContact CB-O 3.17Å; K453-C457 PolarHBondContact O-SG 3.47Å; K453-D459 IonicContact NZ-OD2 3.55Å; K453-D459 PolarHBondContact NZ-OD2 2.93Å
454A91.6Very high92.2Very high26 Ų2639 Ų3922%0.21519%0.188CC..  trans-72.4154.9174.200000111.4W267 P273W267-A454 HydrophobicContact CB-CB 4.39Å; W267-A454 HydrophobicContact CE3-CB 3.89Å; P273-A454 VanDerWaalsContact O-CA 3.31Å; P273-A454 WeakPolarHBondContact O-CA 3.27Å; P273-A454 WeakPolarHBondContact O-CB 3.5Å
455G88.9Confident91.9Very high8 Ų840.2 Ų40.28%0.08220%0.196CC..SBendtrans71.6-155177.600000114.2P273 A275 Q276 C457P273-G455 PolarHBondContact O-N 2.83Å; A275-G455 CarbonylContact C-O 3.56Å; A275-G455 VanDerWaalsContact CA-O 3.31Å; A275-G455 WeakPolarHBondContact CA-O 3.49Å; Q276-G455 PolarHBondContact N-O 2.77Å; G455-C457 PolarHBondContact O-N 2.83Å; G455-C457 PolarHBondContact O-SG 3.43Å; G455-C457 VanDerWaalsContact O-SG 3.37Å
456R86.8Confident91.2Very high180 Ų18041.3 Ų41.368%0.67921%0.205SC*.EExtended strand (participates in β ladder)trans-64.5125.6-175.1-180179167.1-175.7-5.3111.6V278 D458V278-R456 HydrophobicContact CG1-CG 4.37Å; R456-D458 IonicContact CZ-OD1 3.04Å; R456-D458 IonicContact NE-OD1 3.45Å; R456-D458 PolarHBondContact NE-OD1 2.77Å; R456-D458 IonicContact NH2-OD1 3.09Å; R456-D458 PolarHBondContact NH2-OD1 2.95Å
457C88Confident90.4Very high2 Ų247 Ų471%0.01424%0.235CC..EExtended strand (participates in β ladder)trans-120.7101.6179.8-63.90000110.1Q276 K453 G455 D459 I460Q276-C457 PolarHBondContact O-N 2.74Å; K453-C457 PolarHBondContact O-SG 3.47Å; G455-C457 PolarHBondContact O-N 2.83Å; G455-C457 PolarHBondContact O-SG 3.43Å; G455-C457 VanDerWaalsContact O-SG 3.37Å; C457-D459 WeakPolarHBondContact CB-OD1 3.32Å; C457-D459 PolarHBondContact O-N 3.02Å; C457-I460 HydrophobicContact CB-CB 4.12Å; C457-I460 HydrophobicContact CB-CD1 3.61Å; C457-I460 HydrophobicContact CB-CG1 3.65Å; C457-I460 PolarHBondContact O-N 3.31Å
458D88.1Confident89.6Confident82 Ų8248.9 Ų48.944%0.43925%0.245SC..EExtended strand (participates in β ladder)trans-69.4-14.3-180-63.4-45.9000113.1V278 F287 R456V278-D458 WeakPolarHBondContact CG1-OD1 3.36Å; V278-D458 WeakPolarHBondContact CG2-O 3.26Å; F287-D458 WeakPolarHBondContact CE2-O 3.46Å; R456-D458 IonicContact CZ-OD1 3.04Å; R456-D458 IonicContact NE-OD1 3.45Å; R456-D458 PolarHBondContact NE-OD1 2.77Å; R456-D458 IonicContact NH2-OD1 3.09Å; R456-D458 PolarHBondContact NH2-OD1 2.95Å
459D91.4Very high89.1Confident39 Ų3949 Ų4921%0.20925%0.245CC..EExtended strand (participates in β ladder)trans-89.7-17.1175.852.64.2000113.2Y293 P448 K453 C457Y293-D459 WeakPolarHBondContact CE1-O 3.44Å; Y293-D459 VanDerWaalsContact CZ-O 3.25Å; Y293-D459 PolarHBondContact OH-O 2.93Å; P448-D459 HydrophobicContact CG-CB 4.14Å; K453-D459 IonicContact NZ-OD2 3.55Å; K453-D459 PolarHBondContact NZ-OD2 2.93Å; C457-D459 WeakPolarHBondContact CB-OD1 3.32Å; C457-D459 PolarHBondContact O-N 3.02Å
460I93.9Very high88.8Confident10 Ų1049.4 Ų49.45%0.05125%0.248CC..EExtended strand (participates in β ladder)trans-90.5113.1174.4-52.3175.3000108.9A275 P277 V278 I445 P448 C457A275-I460 HydrophobicContact CB-CD1 3.86Å; P277-I460 CarbonylContact C-O 3.48Å; P277-I460 VanDerWaalsContact CA-O 3.32Å; P277-I460 WeakPolarHBondContact CA-O 3.45Å; P277-I460 HydrophobicContact CB-CB 4.08Å; P277-I460 HydrophobicContact CB-CG2 3.7Å; P277-I460 WeakPolarHBondContact CB-O 3.45Å; V278-I460 PolarHBondContact N-O 3.03Å; I445-I460 HydrophobicContact CD1-CG2 4.02Å; I445-I460 HydrophobicContact CG1-CG2 4.39Å; P448-I460 HydrophobicContact CG-CG1 4.19Å; C457-I460 HydrophobicContact CB-CB 4.12Å; C457-I460 HydrophobicContact CB-CD1 3.61Å; C457-I460 HydrophobicContact CB-CG1 3.65Å; C457-I460 PolarHBondContact O-N 3.31Å
461L92.8Very high88.6Confident0 Ų047.5 Ų47.50%023%0.228CC..EExtended strand (participates in β ladder)trans-105.9123.6-170.9-48.4179.7000111.1V278 M280 N284 F287 L288 F446V278-L461 HydrophobicContact CG2-CD2 3.69Å; V278-L461 WeakPolarHBondContact O-CA 3.25Å; M280-L461 HydrophobicContact CB-CB 4.47Å; M280-L461 HydrophobicContact CE-CB 3.85Å; M280-L461 HydrophobicContact CE-CD1 3.86Å; N284-L461 HydrophobicContact CB-CD2 4.05Å; F287-L461 HydrophobicContact CD2-CD2 4.38Å; L288-L461 HydrophobicContact CD2-CD1 4.36Å; F446-L461 HydrophobicContact CB-CB 4.2Å; F446-L461 PolarHBondContact N-O 3.33Å; F446-L461 PolarHBondContact O-N 3.45Å
462K91.5Very high88.5Confident56 Ų5640.2 Ų40.224%0.24320%0.201CC..EExtended strand (participates in β ladder)trans-97.3122166.968.5-169.2173.8-168.70109.3P277 V278 S279 M280 I445P277-K462 HydrophobicContact CB-CB 4.47Å; P277-K462 HydrophobicContact CG-CD 4.28Å; V278-K462 WeakPolarHBondContact O-CG 3.43Å; V278-K462 PolarHBondContact O-N 2.97Å; S279-K462 WeakPolarHBondContact OG-CE 3.47Å; M280-K462 PolarHBondContact N-O 2.92Å; I445-K462 HydrophobicContact CD1-CB 3.87Å
463W91.5Very high88.4Confident8 Ų839.3 Ų39.33%0.0320%0.198CC..EExtended strand (participates in β ladder)trans-103.5131.4171.4178.685.6000109M280 L429 G443 L444 F446 P465 V557 K559 L562M280-W463 HydrophobicContact CB-CB 4.13Å; M280-W463 HydrophobicContact CE-CB 4.28Å; M280-W463 HydrophobicContact SD-CB 3.87Å; M280-W463 HydrophobicContact SD-CG 4.05Å; L429-W463 HydrophobicContact CD1-CE3 4.15Å; L429-W463 HydrophobicContact CD1-CH2 3.71Å; L429-W463 HydrophobicContact CD1-CZ3 3.39Å; L429-W463 HydrophobicContact CD2-CZ3 3.75Å; L429-W463 HydrophobicContact CG-CZ3 4.23Å; G443-W463 CarbonylContact C-O 3.6Å; G443-W463 VanDerWaalsContact CA-O 3.25Å; G443-W463 WeakPolarHBondContact CA-O 3.38Å; L444-W463 HydrophobicContact CB-CB 4.44Å; L444-W463 HydrophobicContact CB-CE3 4.24Å; L444-W463 HydrophobicContact CD1-CE3 4.3Å; L444-W463 HydrophobicContact CG-CE3 4.09Å; L444-W463 PolarHBondContact N-O 2.54Å; L444-W463 PolarHBondContact O-N 2.81Å; F446-W463 HydrophobicContact CE2-CB 4.05Å; W463-P465 HydrophobicContact CH2-CB 4.33Å; W463-P465 HydrophobicContact CH2-CG 3.79Å; W463-P465 HydrophobicContact CZ3-CG 3.83Å; W463-V557 PolarHBondContact NE1-O 2.89Å; W463-K559 HydrophobicContact CH2-CB 4.19Å; W463-K559 HydrophobicContact CH2-CG 4.34Å; W463-K559 HydrophobicContact CZ2-CB 4.12Å; W463-L562 HydrophobicContact CD2-CD2 3.82Å; W463-L562 HydrophobicContact CE3-CD2 4.3Å; W463-L562 HydrophobicContact CG-CD2 3.99Å; W463-L562 HydrophobicContact CZ2-CD2 4.44Å
464K88.3Confident88.5Confident41 Ų4140.4 Ų40.418%0.17820%0.199CC..  trans-123.8143.1170.9-70.1-165.1162.6-155.80108.7D442D442-K464 WeakPolarHBondContact O-CG 3.33Å; D442-K464 WeakPolarHBondContact OD2-CE 3.34Å; D442-K464 IonicContact OD2-NZ 3.36Å; D442-K464 PolarHBondContact OD2-NZ 3.14Å
465P85Confident88.6Confident26 Ų2639.2 Ų39.217%0.16919%0.189CC..  trans-50.6138.4166.9-27.235.8000110.5W463 N467 L468 N469W463-P465 HydrophobicContact CH2-CB 4.33Å; W463-P465 HydrophobicContact CH2-CG 3.79Å; W463-P465 HydrophobicContact CZ3-CG 3.83Å; P465-N467 WeakPolarHBondContact CB-OD1 3.29Å; P465-N467 PolarHBondContact O-N 3.4Å; P465-N467 VanDerWaalsContact O-N 3.08Å; P465-L468 HydrophobicContact CB-CB 4.43Å; P465-L468 HydrophobicContact CB-CD1 4.26Å; P465-L468 HydrophobicContact CB-CG 4.22Å; P465-L468 HydrophobicContact CG-CD1 3.94Å; P465-L468 HydrophobicContact CG-CG 4.43Å; P465-L468 WeakPolarHBondContact O-CA 3.47Å; P465-L468 PolarHBondContact O-N 3.2Å; P465-N469 PolarHBondContact O-N 2.81Å
466P80.6Confident88.8Confident46 Ų4643.6 Ų43.630%0.29921%0.206SC..G310 helixtrans-54.9-32.8-175.8-29.736.3000114.4L468 N469 P556P466-L468 VanDerWaalsContact C-N 3.27Å; P466-L468 PolarHBondContact O-N 3.21Å; P466-N469 PolarHBondContact O-N 3.18Å; P466-P556 HydrophobicContact CB-CB 3.88Å; P466-P556 HydrophobicContact CG-CB 3.52Å
467N78.7Confident89Confident118 Ų11836.3 Ų36.363%0.63118%0.18SC*.G310 helixtrans-71.2-16.1176.261.4-49.1000114.2P465P465-N467 WeakPolarHBondContact CB-OD1 3.29Å; P465-N467 PolarHBondContact O-N 3.4Å; P465-N467 VanDerWaalsContact O-N 3.08Å
468L80.4Confident89Confident50 Ų5038.4 Ų38.426%0.26219%0.193SC..G310 helixtrans-105.27.8177.9-60.6-177.1000112.8P465 P466 S470P465-L468 HydrophobicContact CB-CB 4.43Å; P465-L468 HydrophobicContact CB-CD1 4.26Å; P465-L468 HydrophobicContact CB-CG 4.22Å; P465-L468 HydrophobicContact CG-CD1 3.94Å; P465-L468 HydrophobicContact CG-CG 4.43Å; P465-L468 WeakPolarHBondContact O-CA 3.47Å; P465-L468 PolarHBondContact O-N 3.2Å; P466-L468 VanDerWaalsContact C-N 3.27Å; P466-L468 PolarHBondContact O-N 3.21Å; L468-S470 PolarHBondContact O-N 3.26Å
469N84.2Confident88.9Confident16 Ų1642.4 Ų42.49%0.08621%0.206CC..  trans-71126.4172.5-80.1-32.9000110.2P465 P466 T522 V549 I553P465-N469 PolarHBondContact O-N 2.81Å; P466-N469 PolarHBondContact O-N 3.18Å; N469-T522 PolarHBondContact O-OG1 2.87Å; N469-T522 VanDerWaalsContact O-OG1 3.13Å; N469-V549 HydrophobicContact CB-CG1 4.12Å; N469-I553 HydrophobicContact CB-CD1 4.3Å; N469-I553 HydrophobicContact CB-CG1 3.9Å
470S87.4Confident88.4Confident17 Ų1744.2 Ų44.212%0.11922%0.219CC..EExtended strand (participates in β ladder)trans-138.6156-17758.30000111.4L468 E520 C521L468-S470 PolarHBondContact O-N 3.26Å; S470-E520 VanDerWaalsContact CB-OE1 3.3Å; S470-E520 WeakPolarHBondContact CB-OE1 3.38Å; S470-E520 PolarHBondContact OG-OE1 3.39Å; S470-C521 CarbonylContact C-O 3.54Å; S470-C521 WeakPolarHBondContact CA-O 3.5Å; S470-C521 WeakPolarHBondContact CB-O 3.28Å
471V89.9Confident87.5Confident0 Ų046.3 Ų46.30%024%0.243CC..EExtended strand (participates in β ladder)trans-130139.4174.2-179.40000108.4F473 C521 W528 N541 A546 V549V471-F473 HydrophobicContact CB-CD2 4.33Å; V471-F473 HydrophobicContact CB-CE1 4.17Å; V471-F473 HydrophobicContact CB-CE2 3.62Å; V471-F473 HydrophobicContact CB-CZ 3.52Å; V471-F473 HydrophobicContact CG1-CD1 4.06Å; V471-F473 HydrophobicContact CG1-CD2 4.34Å; V471-F473 HydrophobicContact CG1-CE1 3.52Å; V471-F473 HydrophobicContact CG1-CE2 3.86Å; V471-F473 HydrophobicContact CG1-CG 4.44Å; V471-F473 HydrophobicContact CG1-CZ 3.42Å; V471-F473 VanDerWaalsContact CG1-CZ 3.42Å; V471-F473 HydrophobicContact CG2-CZ 4.27Å; V471-F473 WeakPolarHBondContact O-CD2 3.46Å; V471-C521 PolarHBondContact N-O 3.02Å; V471-C521 PolarHBondContact O-N 3.43Å; V471-W528 HydrophobicContact CB-CH2 4.18Å; V471-W528 HydrophobicContact CB-CZ3 4.19Å; V471-W528 HydrophobicContact CG2-CH2 3.7Å; V471-W528 HydrophobicContact CG2-CZ3 4.06Å; V471-N541 HydrophobicContact CG1-CB 4.24Å; V471-A546 HydrophobicContact CG1-CB 3.77Å; V471-V549 HydrophobicContact CG2-CB 3.6Å; V471-V549 HydrophobicContact CG2-CG1 3.54Å; V471-V549 HydrophobicContact CG2-CG2 4.04Å
472D91.3Very high86.6Confident4 Ų448.2 Ų48.22%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-91.5116.9174.3-44.4-61.9000110.5I518 I519 E520 R534 K537 P540 N541D472-I518 HydrophobicContact CB-CG2 3.95Å; D472-I519 CarbonylContact C-O 3.53Å; D472-I519 VanDerWaalsContact CA-O 3.28Å; D472-I519 WeakPolarHBondContact CA-O 3.05Å; D472-E520 WeakPolarHBondContact OD1-CB 3.4Å; D472-R534 WeakPolarHBondContact OD1-CG 3.49Å; D472-R534 IonicContact OD1-NH1 2.73Å; D472-K537 HydrophobicContact CB-CD 4.32Å; D472-K537 WeakPolarHBondContact OD2-CD 3.34Å; D472-K537 IonicContact OD2-NZ 2.78Å; D472-K537 PolarHBondContact OD2-NZ 3.33Å; D472-P540 WeakPolarHBondContact O-CB 3.41Å; D472-N541 PolarHBondContact N-OD1 3.41Å; D472-N541 PolarHBondContact O-N 2.81Å; D472-N541 PolarHBondContact OD2-ND2 3.33Å; D472-N541 PolarHBondContact OD2-OD1 2.79Å
473F93.6Very high85.1Confident0 Ų055.4 Ų55.40%030%0.297CS..EExtended strand (participates in β ladder)trans-111151.2-179.2-61.5-71.8000111.1V471 L493 Y494 V495 F502 I518 I519 C521 W528V471-F473 HydrophobicContact CB-CD2 4.33Å; V471-F473 HydrophobicContact CB-CE1 4.17Å; V471-F473 HydrophobicContact CB-CE2 3.62Å; V471-F473 HydrophobicContact CB-CZ 3.52Å; V471-F473 HydrophobicContact CG1-CD1 4.06Å; V471-F473 HydrophobicContact CG1-CD2 4.34Å; V471-F473 HydrophobicContact CG1-CE1 3.52Å; V471-F473 HydrophobicContact CG1-CE2 3.86Å; V471-F473 HydrophobicContact CG1-CG 4.44Å; V471-F473 HydrophobicContact CG1-CZ 3.42Å; V471-F473 VanDerWaalsContact CG1-CZ 3.42Å; V471-F473 HydrophobicContact CG2-CZ 4.27Å; V471-F473 WeakPolarHBondContact O-CD2 3.46Å; F473-L493 HydrophobicContact CB-CB 3.98Å; F473-L493 HydrophobicContact CB-CD2 3.94Å; F473-L493 HydrophobicContact CB-CG 4.47Å; F473-L493 HydrophobicContact CD1-CB 3.94Å; F473-L493 HydrophobicContact CD2-CB 4.32Å; F473-L493 HydrophobicContact CD2-CD1 3.98Å; F473-L493 HydrophobicContact CD2-CD2 4.37Å; F473-L493 HydrophobicContact CD2-CG 4.46Å; F473-L493 HydrophobicContact CE2-CD1 4.17Å; F473-L493 HydrophobicContact CG-CB 3.83Å; F473-L493 HydrophobicContact CG-CD1 4.35Å; F473-L493 HydrophobicContact CG-CD2 4.29Å; F473-L493 HydrophobicContact CG-CG 4.38Å; F473-Y494 WeakPolarHBondContact CA-O 3.37Å; F473-V495 HydrophobicContact CD1-CG1 3.46Å; F473-V495 VanDerWaalsContact CD1-CG1 3.46Å; F473-V495 HydrophobicContact CE1-CG1 3.41Å; F473-V495 VanDerWaalsContact CE1-CG1 3.41Å; F473-F502 HydrophobicContact CE1-CB 4.37Å; F473-F502 AromaticContact CE1-CD1 3.47Å; F473-F502 HydrophobicContact CE1-CD1 3.47Å; F473-F502 VanDerWaalsContact CE1-CD1 3.47Å; F473-F502 HydrophobicContact CE1-CE1 4.01Å; F473-F502 HydrophobicContact CE1-CG 4.1Å; F473-F502 AromaticContact CZ-CD1 3.9Å; F473-F502 HydrophobicContact CZ-CD1 3.9Å; F473-F502 HydrophobicContact CZ-CE1 4.1Å; F473-I518 CarbonylContact O-C 3.48Å; F473-I518 WeakPolarHBondContact O-CA 3.29Å; F473-I519 PolarHBondContact N-O 3.02Å; F473-I519 PolarHBondContact O-N 3.34Å; F473-C521 HydrophobicContact CD2-CB 3.88Å; F473-C521 HydrophobicContact CE2-CB 3.95Å; F473-W528 AromaticContact CE2-CD2 3.78Å; F473-W528 HydrophobicContact CE2-CD2 3.78Å; F473-W528 AromaticContact CE2-CE3 3.66Å; F473-W528 HydrophobicContact CE2-CE3 3.66Å; F473-W528 HydrophobicContact CE2-CG 4.41Å; F473-W528 HydrophobicContact CE2-CH2 4.16Å; F473-W528 HydrophobicContact CE2-CZ2 4.28Å; F473-W528 AromaticContact CE2-CZ3 3.85Å; F473-W528 HydrophobicContact CE2-CZ3 3.85Å; F473-W528 HydrophobicContact CZ-CD2 4.07Å; F473-W528 AromaticContact CZ-CE2 3.86Å; F473-W528 HydrophobicContact CZ-CE3 4.18Å; F473-W528 AromaticContact CZ-CH2 3.93Å; F473-W528 HydrophobicContact CZ-CH2 3.93Å; F473-W528 AromaticContact CZ-CZ2 3.81Å; F473-W528 HydrophobicContact CZ-CZ2 3.81Å; F473-W528 HydrophobicContact CZ-CZ3 4.11Å
474R93.9Very high84Confident120 Ų12059.3 Ų59.345%0.45334%0.339SS..EExtended strand (participates in β ladder)trans-83.5116.5159.9-177.617964.9163.5-2.6108Y494 I518 P540R474-Y494 PolarHBondContact N-O 3.31Å; R474-Y494 PolarHBondContact O-N 2.74Å; R474-I518 HydrophobicContact CB-CD1 3.69Å; R474-I518 HydrophobicContact CG-CD1 4.13Å; R474-P540 HydrophobicContact CB-CB 4.36Å; R474-P540 HydrophobicContact CB-CG 4.27Å
475L94.4Very high83.2Confident1 Ų163.5 Ų63.51%0.00536%0.363CS..EExtended strand (participates in β ladder)trans-81132.1176.817864000109.9I477 L493 M505 L511 S516 K517 I519L475-I477 HydrophobicContact CD1-CG1 4.3Å; L475-I477 HydrophobicContact CD2-CD1 4.15Å; L475-I477 HydrophobicContact CD2-CG1 4.16Å; L475-I477 HydrophobicContact CG-CG1 4.13Å; L475-L493 HydrophobicContact CD1-CD2 3.88Å; L475-M505 HydrophobicContact CD1-CG 4.45Å; L475-M505 HydrophobicContact CD1-SD 4.16Å; L475-L511 HydrophobicContact CD2-CB 4.5Å; L475-S516 WeakPolarHBondContact O-CA 3.45Å; L475-S516 PolarHBondContact O-N 3.2Å; L475-K517 PolarHBondContact N-O 3.17Å; L475-I519 HydrophobicContact CB-CD1 3.76Å; L475-I519 HydrophobicContact CB-CG1 4.06Å; L475-I519 HydrophobicContact CD1-CD1 4.3Å; L475-I519 HydrophobicContact CD2-CD1 4.01Å; L475-I519 HydrophobicContact CG-CD1 4.23Å
476K93.4Very high82.7Confident99 Ų9969.5 Ų69.543%0.4339%0.393SS..EExtended strand (participates in β ladder)trans-128.9115.6167.1-176.5177.1179.6176.70109.4L492 Y494 D515K476-L492 PolarHBondContact N-O 3.16Å; K476-L492 WeakPolarHBondContact O-CB 3.29Å; K476-L492 PolarHBondContact O-N 3.18Å; K476-Y494 HydrophobicContact CB-CD2 4.26Å; K476-Y494 HydrophobicContact CB-CE2 3.89Å; K476-Y494 HydrophobicContact CD-CE2 4.28Å; K476-D515 WeakPolarHBondContact CA-OD1 3.33Å
477I91.2Very high82.6Confident27 Ų2772 Ų7214%0.13841%0.409CS..EExtended strand (participates in β ladder)trans-86.2128179.1-64.2173.7000108.5L475 T489 A507 L511 K512 D515L475-I477 HydrophobicContact CD1-CG1 4.3Å; L475-I477 HydrophobicContact CD2-CD1 4.15Å; L475-I477 HydrophobicContact CD2-CG1 4.16Å; L475-I477 HydrophobicContact CG-CG1 4.13Å; I477-T489 HydrophobicContact CG2-CG2 3.61Å; I477-A507 HydrophobicContact CG2-CB 4.27Å; I477-L511 WeakPolarHBondContact CD1-O 3.35Å; I477-K512 VanDerWaalsContact CD1-CA 3.46Å; I477-K512 HydrophobicContact CD1-CB 4.34Å; I477-K512 HydrophobicContact CD1-CG 4.1Å; I477-D515 HydrophobicContact CD1-CB 4.25Å; I477-D515 HydrophobicContact CG1-CB 4.48Å; I477-D515 PolarHBondContact N-OD1 3.33Å
478T88Confident82.8Confident47 Ų4772.7 Ų72.729%0.28841%0.409SS..EExtended strand (participates in β ladder)trans-141.6142.2-177.8-59.80000109.8V480 V490T478-V480 PolarHBondContact O-N 3.47Å; T478-V490 PolarHBondContact N-O 2.96Å; T478-V490 PolarHBondContact O-N 3.13Å; T478-V490 VanDerWaalsContact O-O 3.14Å
479K86.3Confident83.2Confident165 Ų16572.7 Ų72.772%0.71741%0.411SS*.EExtended strand (participates in β ladder)trans-81.5113.9168.7-71-178.2-179.3177.70107.6Q488K479-Q488 WeakPolarHBondContact CA-O 3.34Å
480V80.8Confident83.5Confident78 Ų7873.5 Ų73.547%0.47342%0.416SS..EExtended strand (participates in β ladder)trans-99.1122.9174.9-178.90000107.1T478 Q488 V490T478-V480 PolarHBondContact O-N 3.47Å; V480-Q488 PolarHBondContact N-O 2.86Å; V480-Q488 PolarHBondContact O-N 3.3Å; V480-V490 HydrophobicContact CB-CG2 4.13Å; V480-V490 HydrophobicContact CG2-CG2 3.4Å
481G73.9Confident83.8Confident54 Ų5472.7 Ų72.756%0.55741%0.411SS*.  trans-148.4157.2176.800000109.4
482G73.8Confident83.9Confident39 Ų3973.9 Ų73.940%0.40242%0.417SS..  trans-148.8168.5176.900000109.7G484 L485G482-G484 PolarHBondContact O-N 2.85Å; G482-G484 VanDerWaalsContact O-N 3.14Å; G482-L485 PolarHBondContact O-N 3.38Å
483E60.3Low84.1Confident208 Ų20873.7 Ų73.797%0.97242%0.416SS*.THydrogen-bonded Turntrans-56.8120.2176.8-70.5-177.1164.500110.1
484G69.2Low84.1Confident90 Ų9075.3 Ų75.393%0.92842%0.422SS*.THydrogen-bonded Turntrans84.10.4-177.700000116.6G482G482-G484 PolarHBondContact O-N 2.85Å; G482-G484 VanDerWaalsContact O-N 3.14Å
485L70.9Confident83.9Confident129 Ų12970 Ų7068%0.67540%0.403SS*.SBendtrans-109.5134.3178.6-73.8157.1000111.6G482G482-L485 PolarHBondContact O-N 3.38Å
486L75.1Confident83.2Confident152 Ų15270.8 Ų70.880%0.79641%0.412SS*.  trans-60.7129171.9-77.7167.6000109.8Q488L486-Q488 PolarHBondContact O-N 3.28Å
487P78.4Confident82.4Confident99 Ų9971.9 Ų71.964%0.64342%0.422SS*.  trans-65.2120.1-178.824.6-32.3000110.5
488Q83Confident82Confident132 Ų13274.6 Ų74.662%0.61743%0.432SS*.EExtended strand (participates in β ladder)trans-111.3137.2178.2-64.7-171.812.300110.6K479 V480 L486K479-Q488 WeakPolarHBondContact CA-O 3.34Å; V480-Q488 PolarHBondContact N-O 2.86Å; V480-Q488 PolarHBondContact O-N 3.3Å; L486-Q488 PolarHBondContact O-N 3.28Å
489T87.8Confident81.3Confident50 Ų5078.3 Ų78.331%0.30745%0.45SS..EExtended strand (participates in β ladder)trans-87.4120.8172.7-52.40000108.7I477 A507I477-T489 HydrophobicContact CG2-CG2 3.61Å; T489-A507 HydrophobicContact CG2-CB 3.68Å; T489-A507 WeakPolarHBondContact O-CB 3.39Å
490V91.1Very high81.3Confident32 Ų3279.2 Ų79.219%0.19445%0.448CS..EExtended strand (participates in β ladder)trans-126149.7180-640000110.7T478 V480 L492T478-V490 PolarHBondContact N-O 2.96Å; T478-V490 PolarHBondContact O-N 3.13Å; T478-V490 VanDerWaalsContact O-O 3.14Å; V480-V490 HydrophobicContact CB-CG2 4.13Å; V480-V490 HydrophobicContact CG2-CG2 3.4Å; V490-L492 HydrophobicContact CG2-CD2 4.15Å
491G92.9Very high81.8Confident1 Ų178.1 Ų78.11%0.0144%0.443CS..EExtended strand (participates in β ladder)trans-94.2115.7170.500000109.7T504 M505G491-T504 CarbonylContact O-C 3.57Å; G491-T504 WeakPolarHBondContact O-CA 3.5Å; G491-M505 PolarHBondContact N-O 3.36Å; G491-M505 PolarHBondContact O-N 3.28Å
492L93.5Very high82.6Confident25 Ų2577.5 Ų77.513%0.13143%0.425CS..EExtended strand (participates in β ladder)trans-87.7126.9174.1-58.8-178000109.2K476 V490 Y494 P501 T504K476-L492 PolarHBondContact N-O 3.16Å; K476-L492 WeakPolarHBondContact O-CB 3.29Å; K476-L492 PolarHBondContact O-N 3.18Å; V490-L492 HydrophobicContact CG2-CD2 4.15Å; L492-Y494 HydrophobicContact CB-CD2 4.33Å; L492-Y494 HydrophobicContact CB-CE2 3.6Å; L492-Y494 HydrophobicContact CD1-CE2 4.37Å; L492-P501 HydrophobicContact CB-CB 4.15Å; L492-P501 HydrophobicContact CD2-CB 4.25Å; L492-T504 HydrophobicContact CD2-CG2 3.82Å
493L94.6Very high83.5Confident0 Ų076.6 Ų76.60%041%0.413CS..EExtended strand (participates in β ladder)trans-101.5120.1-179.1-60.1178.5000109.7F473 L475 P501 F502 A503 M505 I519 W528F473-L493 HydrophobicContact CB-CB 3.98Å; F473-L493 HydrophobicContact CB-CD2 3.94Å; F473-L493 HydrophobicContact CB-CG 4.47Å; F473-L493 HydrophobicContact CD1-CB 3.94Å; F473-L493 HydrophobicContact CD2-CB 4.32Å; F473-L493 HydrophobicContact CD2-CD1 3.98Å; F473-L493 HydrophobicContact CD2-CD2 4.37Å; F473-L493 HydrophobicContact CD2-CG 4.46Å; F473-L493 HydrophobicContact CE2-CD1 4.17Å; F473-L493 HydrophobicContact CG-CB 3.83Å; F473-L493 HydrophobicContact CG-CD1 4.35Å; F473-L493 HydrophobicContact CG-CD2 4.29Å; F473-L493 HydrophobicContact CG-CG 4.38Å; L475-L493 HydrophobicContact CD1-CD2 3.88Å; L493-P501 CarbonylContact O-C 3.54Å; L493-F502 WeakPolarHBondContact O-CB 3.35Å; L493-F502 PolarHBondContact O-N 3.45Å; L493-A503 HydrophobicContact CB-CB 4.46Å; L493-A503 WeakPolarHBondContact CB-O 3.34Å; L493-A503 HydrophobicContact CD1-CB 4.24Å; L493-A503 PolarHBondContact N-O 3.32Å; L493-A503 PolarHBondContact O-N 3.33Å; L493-M505 HydrophobicContact CD1-CB 4.36Å; L493-M505 HydrophobicContact CD1-SD 4.48Å; L493-M505 HydrophobicContact CD2-CG 4.26Å; L493-M505 HydrophobicContact CD2-SD 3.84Å; L493-M505 HydrophobicContact CG-CG 4.43Å; L493-I519 HydrophobicContact CD2-CD1 4.03Å; L493-W528 HydrophobicContact CD1-CB 3.69Å; L493-W528 HydrophobicContact CD1-CG 3.84Å
494Y93.1Very high85Confident34 Ų3471 Ų7113%0.13339%0.393CS..EExtended strand (participates in β ladder)trans-109.5144179.8-69.1-97.6000111.7F473 R474 K476 L492 P501F473-Y494 WeakPolarHBondContact CA-O 3.37Å; R474-Y494 PolarHBondContact N-O 3.31Å; R474-Y494 PolarHBondContact O-N 2.74Å; K476-Y494 HydrophobicContact CB-CD2 4.26Å; K476-Y494 HydrophobicContact CB-CE2 3.89Å; K476-Y494 HydrophobicContact CD-CE2 4.28Å; L492-Y494 HydrophobicContact CB-CD2 4.33Å; L492-Y494 HydrophobicContact CB-CE2 3.6Å; L492-Y494 HydrophobicContact CD1-CE2 4.37Å; Y494-P501 HydrophobicContact CE1-CB 4.45Å; Y494-P501 HydrophobicContact CE2-CB 4.49Å
495V90.7Very high86.1Confident7 Ų767.5 Ų67.54%0.04235%0.353CS..  trans-113.3162.4171.3-60.90000109.1F473 Y498 F502 N541 Y543 A546F473-V495 HydrophobicContact CD1-CG1 3.46Å; F473-V495 VanDerWaalsContact CD1-CG1 3.46Å; F473-V495 HydrophobicContact CE1-CG1 3.41Å; F473-V495 VanDerWaalsContact CE1-CG1 3.41Å; V495-Y498 HydrophobicContact CG2-CD1 4.18Å; V495-Y498 HydrophobicContact CG2-CG 4.29Å; V495-F502 HydrophobicContact CG1-CB 3.93Å; V495-F502 HydrophobicContact CG1-CD1 4.38Å; V495-F502 HydrophobicContact CG1-CD2 4.11Å; V495-F502 HydrophobicContact CG1-CG 3.88Å; V495-F502 HydrophobicContact CG2-CB 4.08Å; V495-F502 HydrophobicContact CG2-CD2 3.88Å; V495-F502 HydrophobicContact CG2-CG 4.25Å; V495-N541 CarbonylContact C-O 3.38Å; V495-N541 WeakPolarHBondContact CA-O 3.49Å; V495-N541 WeakPolarHBondContact CB-O 3.45Å; V495-Y543 HydrophobicContact CG2-CD2 4.05Å; V495-A546 HydrophobicContact CB-CB 4.38Å; V495-A546 HydrophobicContact CG1-CB 3.66Å
496G80Confident86.9Confident19 Ų1971.6 Ų71.620%0.19636%0.36CS..BIsolated β-bridgetrans-73.3153.4175.100000111.5Y498 N541 S542 Y543G496-Y498 PolarHBondContact O-N 2.98Å; G496-N541 PolarHBondContact N-O 3.2Å; G496-S542 CarbonylContact O-C 3.52Å; G496-Y543 WeakPolarHBondContact O-CB 3.49Å; G496-Y543 PolarHBondContact O-N 3.07Å
497N75.8Confident87.5Confident121 Ų12165.3 Ų65.365%0.64733%0.33SS*.THydrogen-bonded Turntrans58.233.1-178.4-49.7-7.2000113.1E191E191-N497 WeakPolarHBondContact OE1-CA 3.44Å
498Y82.1Confident87.9Confident85 Ų8563.5 Ų63.533%0.33332%0.317SS..  trans-155.5112.5176.3-168.8-114.8000110.4E191 V495 G496 R500 Y543E191-Y498 PolarHBondContact OE1-N 2.89Å; V495-Y498 HydrophobicContact CG2-CD1 4.18Å; V495-Y498 HydrophobicContact CG2-CG 4.29Å; G496-Y498 PolarHBondContact O-N 2.98Å; Y498-R500 VanDerWaalsContact C-N 3.32Å; Y498-R500 HydrophobicContact CD1-CB 4.35Å; Y498-R500 WeakPolarHBondContact CD1-O 3.42Å; Y498-R500 HydrophobicContact CE1-CB 3.72Å; Y498-R500 VanDerWaalsContact CE1-O 3.31Å; Y498-R500 WeakPolarHBondContact CE1-O 3.46Å; Y498-R500 PolarHBondContact O-N 3.08Å; Y498-Y543 HydrophobicContact CD1-CD2 4.15Å; Y498-Y543 HydrophobicContact CD1-CE2 4.42Å; Y498-Y543 AromaticContact CD2-CD2 3.69Å; Y498-Y543 HydrophobicContact CD2-CD2 3.69Å; Y498-Y543 AromaticContact CD2-CE2 3.81Å; Y498-Y543 HydrophobicContact CD2-CE2 3.81Å; Y498-Y543 HydrophobicContact CD2-CG 4.42Å; Y498-Y543 HydrophobicContact CE2-CD2 4.32Å; Y498-Y543 AromaticContact CE2-CE2 3.97Å; Y498-Y543 HydrophobicContact CE2-CE2 3.97Å; Y498-Y543 AromaticContact CG-CD2 3.61Å; Y498-Y543 HydrophobicContact CG-CD2 3.61Å; Y498-Y543 HydrophobicContact CG-CE2 4.07Å; Y498-Y543 HydrophobicContact CG-CG 4.44Å
499D73.5Confident88Confident125 Ų12566.4 Ų66.467%0.66833%0.327SS*.SBendtrans-71.4-22.9-172.3-72.8-34.9000114.7
500R87.8Confident87.8Confident183 Ų18371.1 Ų71.169%0.69135%0.346SS*.SBendtrans-93.4154.8-175.8-64.8-177.8-175.5-172.81.7110.8Y498 F502Y498-R500 VanDerWaalsContact C-N 3.32Å; Y498-R500 HydrophobicContact CD1-CB 4.35Å; Y498-R500 WeakPolarHBondContact CD1-O 3.42Å; Y498-R500 HydrophobicContact CE1-CB 3.72Å; Y498-R500 VanDerWaalsContact CE1-O 3.31Å; Y498-R500 WeakPolarHBondContact CE1-O 3.46Å; Y498-R500 PolarHBondContact O-N 3.08Å; R500-F502 PolarHBondContact O-N 3.42Å; R500-F502 VanDerWaalsContact O-N 3.12Å
501P89.4Confident87.7Confident55 Ų5570.2 Ų70.236%0.35734%0.34SS..  trans-56.9123.7168.524.8-33.4000109.1L492 L493 Y494L492-P501 HydrophobicContact CB-CB 4.15Å; L492-P501 HydrophobicContact CD2-CB 4.25Å; L493-P501 CarbonylContact O-C 3.54Å; Y494-P501 HydrophobicContact CE1-CB 4.45Å; Y494-P501 HydrophobicContact CE2-CB 4.49Å
502F92.6Very high87.4Confident42 Ų4275.9 Ų75.918%0.18436%0.364CS..SBendtrans-68-41178.4-179.1-93.8000111F473 L493 V495 R500 W528 Y543 A546 M547F473-F502 HydrophobicContact CE1-CB 4.37Å; F473-F502 AromaticContact CE1-CD1 3.47Å; F473-F502 HydrophobicContact CE1-CD1 3.47Å; F473-F502 VanDerWaalsContact CE1-CD1 3.47Å; F473-F502 HydrophobicContact CE1-CE1 4.01Å; F473-F502 HydrophobicContact CE1-CG 4.1Å; F473-F502 AromaticContact CZ-CD1 3.9Å; F473-F502 HydrophobicContact CZ-CD1 3.9Å; F473-F502 HydrophobicContact CZ-CE1 4.1Å; L493-F502 WeakPolarHBondContact O-CB 3.35Å; L493-F502 PolarHBondContact O-N 3.45Å; V495-F502 HydrophobicContact CG1-CB 3.93Å; V495-F502 HydrophobicContact CG1-CD1 4.38Å; V495-F502 HydrophobicContact CG1-CD2 4.11Å; V495-F502 HydrophobicContact CG1-CG 3.88Å; V495-F502 HydrophobicContact CG2-CB 4.08Å; V495-F502 HydrophobicContact CG2-CD2 3.88Å; V495-F502 HydrophobicContact CG2-CG 4.25Å; R500-F502 PolarHBondContact O-N 3.42Å; R500-F502 VanDerWaalsContact O-N 3.12Å; F502-W528 HydrophobicContact CE1-CZ2 4.08Å; F502-Y543 HydrophobicContact CD2-CD2 4.25Å; F502-Y543 HydrophobicContact CD2-CE2 4.28Å; F502-Y543 HydrophobicContact CE2-CD2 4.34Å; F502-Y543 HydrophobicContact CE2-CE2 4.19Å; F502-A546 HydrophobicContact CE1-CB 4.47Å; F502-A546 HydrophobicContact CE2-CB 4.05Å; F502-A546 HydrophobicContact CZ-CB 4Å; F502-M547 HydrophobicContact CE2-CG 4.31Å; F502-M547 HydrophobicContact CE2-SD 3.84Å; F502-M547 HydrophobicContact CZ-SD 4.16Å
503A92.4Very high87.2Confident19 Ų1980.1 Ų80.116%0.15738%0.384CS..EExtended strand (participates in β ladder)trans-153.6174.617700000110.8L493 W528L493-A503 HydrophobicContact CB-CB 4.46Å; L493-A503 WeakPolarHBondContact CB-O 3.34Å; L493-A503 HydrophobicContact CD1-CB 4.24Å; L493-A503 PolarHBondContact N-O 3.32Å; L493-A503 PolarHBondContact O-N 3.33Å; A503-W528 VanDerWaalsContact CB-CD1 3.4Å
504T91.9Very high87.1Confident90 Ų9082.3 Ų82.355%0.55239%0.392SS*.EExtended strand (participates in β ladder)trans-124148.7175.2600000110.5G491 L492G491-T504 CarbonylContact O-C 3.57Å; G491-T504 WeakPolarHBondContact O-CA 3.5Å; L492-T504 HydrophobicContact CD2-CG2 3.82Å
505M91.6Very high87Confident17 Ų1783.9 Ų83.98%0.08440%0.403CS..EExtended strand (participates in β ladder)trans-132.9159.3171.173.3179-47.900111.4L475 G491 L493 A507 L511 I519 F530L475-M505 HydrophobicContact CD1-CG 4.45Å; L475-M505 HydrophobicContact CD1-SD 4.16Å; G491-M505 PolarHBondContact N-O 3.36Å; G491-M505 PolarHBondContact O-N 3.28Å; L493-M505 HydrophobicContact CD1-CB 4.36Å; L493-M505 HydrophobicContact CD1-SD 4.48Å; L493-M505 HydrophobicContact CD2-CG 4.26Å; L493-M505 HydrophobicContact CD2-SD 3.84Å; L493-M505 HydrophobicContact CG-CG 4.43Å; M505-A507 PolarHBondContact O-N 2.72Å; M505-L511 HydrophobicContact CE-CD1 3.55Å; M505-L511 HydrophobicContact CE-CD2 4.39Å; M505-L511 HydrophobicContact SD-CD1 4Å; M505-I519 HydrophobicContact SD-CD1 4.12Å; M505-F530 HydrophobicContact CE-CB 4.11Å
506R88.3Confident86.9Confident216 Ų21687.6 Ų87.682%0.81543%0.429SS*.EExtended strand (participates in β ladder)trans-68.1125.1177.8-168.1179.1-162.4-177.35.5110.1T508 L511R506-T508 PolarHBondContact O-N 3.37Å; R506-L511 WeakPolarHBondContact O-CD1 3.07Å
507A86.5Confident87.4Confident20 Ų2090.7 Ų90.717%0.16544%0.437CS..  trans-78.4102.4176.500000110.7I477 T489 M505I477-A507 HydrophobicContact CG2-CB 4.27Å; T489-A507 HydrophobicContact CG2-CB 3.68Å; T489-A507 WeakPolarHBondContact O-CB 3.39Å; M505-A507 PolarHBondContact O-N 2.72Å
508T86.9Confident88.1Confident61 Ų6185.7 Ų85.737%0.37441%0.41SS..  trans-85.4165.2171.463.80000110.8R506 E510 L511R506-T508 PolarHBondContact O-N 3.37Å; T508-E510 PolarHBondContact O-N 2.79Å; T508-L511 PolarHBondContact O-N 2.96Å; T508-L511 WeakPolarHBondContact OG1-CG 3.15Å; T508-L511 PolarHBondContact OG1-N 3.08Å
509K84.9Confident88.6Confident192 Ų19281.6 Ų81.684%0.83539%0.394SS*.THydrogen-bonded Turntrans-58.6-39.3175.9-71.7-176.4-179.5178.60111.7L511 K512K509-L511 VanDerWaalsContact C-N 3.34Å; K509-L511 PolarHBondContact O-N 3.1Å; K509-K512 WeakPolarHBondContact O-CB 3.2Å; K509-K512 PolarHBondContact O-N 2.93Å
510E85.1Confident89.5Confident150 Ų15076.3 Ų76.370%0.70137%0.366SS*.G310 helixtrans-67.3-31.5179.2-67.4171.6-168.600113.1T508 K512 Q513T508-E510 PolarHBondContact O-N 2.79Å; E510-K512 VanDerWaalsContact C-N 3.28Å; E510-K512 PolarHBondContact O-N 2.79Å; E510-Q513 VanDerWaalsContact O-CG 3.32Å; E510-Q513 WeakPolarHBondContact O-CG 3.36Å; E510-Q513 PolarHBondContact O-NE2 2.7Å
511L88.1Confident89.6Confident12 Ų1267.6 Ų67.66%0.06333%0.333CS..G310 helixtrans-72.9-21.4179.5-74.7170.8000113.4L475 I477 M505 R506 T508 K509 Q513 Y514 F530L475-L511 HydrophobicContact CD2-CB 4.5Å; I477-L511 WeakPolarHBondContact CD1-O 3.35Å; M505-L511 HydrophobicContact CE-CD1 3.55Å; M505-L511 HydrophobicContact CE-CD2 4.39Å; M505-L511 HydrophobicContact SD-CD1 4Å; R506-L511 WeakPolarHBondContact O-CD1 3.07Å; T508-L511 PolarHBondContact O-N 2.96Å; T508-L511 WeakPolarHBondContact OG1-CG 3.15Å; T508-L511 PolarHBondContact OG1-N 3.08Å; K509-L511 VanDerWaalsContact C-N 3.34Å; K509-L511 PolarHBondContact O-N 3.1Å; L511-Q513 PolarHBondContact O-N 3.41Å; L511-Y514 HydrophobicContact CD2-CD2 4.28Å; L511-Y514 PolarHBondContact O-N 3.43Å; L511-F530 HydrophobicContact CD2-CB 3.67Å; L511-F530 HydrophobicContact CD2-CD1 4.33Å; L511-F530 HydrophobicContact CD2-CD2 3.75Å; L511-F530 HydrophobicContact CD2-CE2 4.47Å; L511-F530 HydrophobicContact CD2-CG 3.66Å
512K87.1Confident89.7Confident120 Ų12066 Ų6652%0.52232%0.322SS..G310 helixtrans-59.1-31.7-177.7-70-175.9178.3-175.70114I477 K509 E510 Y514 D515I477-K512 VanDerWaalsContact CD1-CA 3.46Å; I477-K512 HydrophobicContact CD1-CB 4.34Å; I477-K512 HydrophobicContact CD1-CG 4.1Å; K509-K512 WeakPolarHBondContact O-CB 3.2Å; K509-K512 PolarHBondContact O-N 2.93Å; E510-K512 VanDerWaalsContact C-N 3.28Å; E510-K512 PolarHBondContact O-N 2.79Å; K512-Y514 PolarHBondContact O-N 3.46Å; K512-D515 PolarHBondContact O-N 2.98Å
513Q89.4Confident89.5Confident115 Ų11567.4 Ų67.454%0.53733%0.328SS..G310 helixtrans-71.9-12.1178.475.4-165.9-39.800114E510 L511 K517E510-Q513 VanDerWaalsContact O-CG 3.32Å; E510-Q513 WeakPolarHBondContact O-CG 3.36Å; E510-Q513 PolarHBondContact O-NE2 2.7Å; L511-Q513 PolarHBondContact O-N 3.41Å; Q513-K517 WeakPolarHBondContact O-CE 3.31Å; Q513-K517 PolarHBondContact O-NZ 2.98Å
514Y91Very high89.1Confident46 Ų4668.2 Ų68.218%0.1834%0.335CS..G310 helixtrans-103.712.6179.8-52.8-64.7000112.7L511 K512 S516 K517 I519 F530 Q533L511-Y514 HydrophobicContact CD2-CD2 4.28Å; L511-Y514 PolarHBondContact O-N 3.43Å; K512-Y514 PolarHBondContact O-N 3.46Å; Y514-S516 PolarHBondContact O-N 2.85Å; Y514-K517 HydrophobicContact CD1-CD 4.48Å; Y514-K517 WeakPolarHBondContact O-CB 3.43Å; Y514-K517 PolarHBondContact O-N 2.98Å; Y514-I519 HydrophobicContact CG-CG2 4.39Å; Y514-F530 AromaticContact CD2-CE2 3.9Å; Y514-F530 HydrophobicContact CD2-CE2 3.9Å; Y514-F530 AromaticContact CD2-CZ 3.88Å; Y514-F530 HydrophobicContact CD2-CZ 3.88Å; Y514-F530 HydrophobicContact CE1-CZ 4.28Å; Y514-F530 AromaticContact CE2-CE1 3.97Å; Y514-F530 HydrophobicContact CE2-CE1 3.97Å; Y514-F530 HydrophobicContact CE2-CE2 4.02Å; Y514-F530 AromaticContact CE2-CZ 3.49Å; Y514-F530 HydrophobicContact CE2-CZ 3.49Å; Y514-F530 VanDerWaalsContact CE2-CZ 3.49Å; Y514-F530 HydrophobicContact CG-CE2 4.26Å; Y514-F530 HydrophobicContact CG-CZ 4.43Å; Y514-F530 AromaticContact CZ-CZ 3.72Å; Y514-Q533 HydrophobicContact CD1-CB 4.09Å; Y514-Q533 HydrophobicContact CD1-CG 4.2Å; Y514-Q533 VanDerWaalsContact CD1-OE1 3.28Å; Y514-Q533 HydrophobicContact CE1-CB 3.99Å; Y514-Q533 HydrophobicContact CE1-CG 4.49Å; Y514-Q533 VanDerWaalsContact CE1-OE1 3.31Å
515D91.6Very high88.7Confident66 Ų6671.6 Ų71.635%0.35335%0.35SS..THydrogen-bonded Turntrans-59.5136.2176.7-167.724.5000111.5K476 I477 K512 K517K476-D515 WeakPolarHBondContact CA-OD1 3.33Å; I477-D515 HydrophobicContact CD1-CB 4.25Å; I477-D515 HydrophobicContact CG1-CB 4.48Å; I477-D515 PolarHBondContact N-OD1 3.33Å; K512-D515 PolarHBondContact O-N 2.98Å; D515-K517 PolarHBondContact O-N 3.48Å; D515-K517 VanDerWaalsContact O-N 3.16Å
516S88.8Confident88.3Confident86 Ų8677.9 Ų77.960%0.60138%0.384SS*.THydrogen-bonded Turntrans61.18.7-172.5-57.70000116.1L475 Y514L475-S516 WeakPolarHBondContact O-CA 3.45Å; L475-S516 PolarHBondContact O-N 3.2Å; Y514-S516 PolarHBondContact O-N 2.85Å
517K90.8Very high88.3Confident83 Ų8370.2 Ų70.236%0.36136%0.363SS..SBendtrans-97.1161.9177.8-54.7-169.6-175157.80112.2L475 Q513 Y514 D515L475-K517 PolarHBondContact N-O 3.17Å; Q513-K517 WeakPolarHBondContact O-CE 3.31Å; Q513-K517 PolarHBondContact O-NZ 2.98Å; Y514-K517 HydrophobicContact CD1-CD 4.48Å; Y514-K517 WeakPolarHBondContact O-CB 3.43Å; Y514-K517 PolarHBondContact O-N 2.98Å; D515-K517 PolarHBondContact O-N 3.48Å; D515-K517 VanDerWaalsContact O-N 3.16Å
518I90.8Very high88.5Confident16 Ų1670.2 Ų70.28%0.08236%0.359CS..EExtended strand (participates in β ladder)trans-82.7125.2171.2-49.8-54000109.1D472 F473 R474 R534 K537 P540D472-I518 HydrophobicContact CB-CG2 3.95Å; F473-I518 CarbonylContact O-C 3.48Å; F473-I518 WeakPolarHBondContact O-CA 3.29Å; R474-I518 HydrophobicContact CB-CD1 3.69Å; R474-I518 HydrophobicContact CG-CD1 4.13Å; I518-R534 HydrophobicContact CB-CB 4.35Å; I518-R534 HydrophobicContact CG2-CB 4.01Å; I518-R534 PolarHBondContact O-N 3.34Å; I518-K537 HydrophobicContact CG2-CB 4.27Å; I518-P540 HydrophobicContact CD1-CB 4.26Å; I518-P540 HydrophobicContact CD1-CG 4.49Å
519I92.6Very high88.7Confident0 Ų070.4 Ų70.40%036%0.36CS..EExtended strand (participates in β ladder)trans-124.6143.7-179.963167.6000110D472 F473 L475 L493 M505 Y514 C521 F530D472-I519 CarbonylContact C-O 3.53Å; D472-I519 VanDerWaalsContact CA-O 3.28Å; D472-I519 WeakPolarHBondContact CA-O 3.05Å; F473-I519 PolarHBondContact N-O 3.02Å; F473-I519 PolarHBondContact O-N 3.34Å; L475-I519 HydrophobicContact CB-CD1 3.76Å; L475-I519 HydrophobicContact CB-CG1 4.06Å; L475-I519 HydrophobicContact CD1-CD1 4.3Å; L475-I519 HydrophobicContact CD2-CD1 4.01Å; L475-I519 HydrophobicContact CG-CD1 4.23Å; L493-I519 HydrophobicContact CD2-CD1 4.03Å; M505-I519 HydrophobicContact SD-CD1 4.12Å; Y514-I519 HydrophobicContact CG-CG2 4.39Å; I519-C521 VanDerWaalsContact CD1-SG 3.53Å; I519-F530 HydrophobicContact CB-CD2 3.85Å; I519-F530 HydrophobicContact CB-CE2 3.82Å; I519-F530 HydrophobicContact CD1-CD2 3.99Å; I519-F530 HydrophobicContact CG1-CD2 4.5Å; I519-F530 HydrophobicContact CG2-CD2 4.03Å; I519-F530 HydrophobicContact CG2-CE2 3.65Å
520E91.3Very high89Confident13 Ų1363.9 Ų63.96%0.06133%0.332CS..EExtended strand (participates in β ladder)trans-91128.4171.5-175.8167.5-177.100108.9S470 D472 M531 R532 R534S470-E520 VanDerWaalsContact CB-OE1 3.3Å; S470-E520 WeakPolarHBondContact CB-OE1 3.38Å; S470-E520 PolarHBondContact OG-OE1 3.39Å; D472-E520 WeakPolarHBondContact OD1-CB 3.4Å; E520-M531 HydrophobicContact CG-SD 4.32Å; E520-M531 WeakPolarHBondContact O-CB 3.45Å; E520-M531 PolarHBondContact O-N 3.18Å; E520-R532 HydrophobicContact CB-CG 4.01Å; E520-R532 PolarHBondContact N-O 3.37Å; E520-R532 IonicContact OE2-CZ 3.82Å; E520-R532 IonicContact OE2-NE 3.28Å; E520-R532 PolarHBondContact OE2-NE 3.13Å; E520-R532 IonicContact OE2-NH2 3.71Å; E520-R532 PolarHBondContact OE2-NH2 3Å; E520-R532 VanDerWaalsContact OE2-NH2 3.14Å; E520-R534 HydrophobicContact CB-CG 3.87Å; E520-R534 IonicContact OE1-NH1 3.38Å; E520-R534 WeakPolarHBondContact OE2-CD 3.49Å; E520-R534 IonicContact OE2-CZ 3.79Å; E520-R534 IonicContact OE2-NH1 3.98Å; E520-R534 PolarHBondContact OE2-NH1 2.93Å
521C91.3Very high89.2Confident0 Ų061 Ų610%032%0.319CS..EExtended strand (participates in β ladder)trans-125.8141.9178.5-60.20000111.4S470 V471 F473 I519 W528 V529S470-C521 CarbonylContact C-O 3.54Å; S470-C521 WeakPolarHBondContact CA-O 3.5Å; S470-C521 WeakPolarHBondContact CB-O 3.28Å; V471-C521 PolarHBondContact N-O 3.02Å; V471-C521 PolarHBondContact O-N 3.43Å; F473-C521 HydrophobicContact CD2-CB 3.88Å; F473-C521 HydrophobicContact CE2-CB 3.95Å; I519-C521 VanDerWaalsContact CD1-SG 3.53Å; C521-W528 HydrophobicContact CB-CB 4.36Å; C521-W528 HydrophobicContact CB-CE3 3.89Å; C521-V529 CarbonylContact C-O 3.43Å; C521-V529 WeakPolarHBondContact CA-O 3.13Å; C521-V529 WeakPolarHBondContact CB-O 3.3Å
522T90.3Very high89.1Confident21 Ų2163.7 Ų63.713%0.12933%0.328CS..EExtended strand (participates in β ladder)trans-102.3157.3168.4-176.40000110.2N469 W528 V529 M531N469-T522 PolarHBondContact O-OG1 2.87Å; N469-T522 VanDerWaalsContact O-OG1 3.13Å; T522-W528 WeakPolarHBondContact O-CA 3.36Å; T522-V529 HydrophobicContact CG2-CB 4.22Å; T522-V529 PolarHBondContact N-O 2.98Å; T522-V529 PolarHBondContact O-N 3.22Å; T522-M531 HydrophobicContact CG2-CG 3.86Å; T522-M531 HydrophobicContact CG2-SD 3.96Å
523F88.1Confident89.2Confident72 Ų7260.4 Ų60.432%0.31632%0.315SS..EExtended strand (participates in β ladder)trans-100.4113.4177.2-166.9-100.5000110.3N526 W528 I553F523-N526 HydrophobicContact CZ-CB 4.48Å; F523-W528 HydrophobicContact CB-CD2 4.48Å; F523-W528 HydrophobicContact CB-CE3 4.08Å; F523-W528 HydrophobicContact CB-CH2 4.22Å; F523-W528 HydrophobicContact CB-CZ3 3.96Å; F523-W528 AromaticContact CD2-CD2 3.84Å; F523-W528 HydrophobicContact CD2-CD2 3.84Å; F523-W528 AromaticContact CD2-CE2 3.71Å; F523-W528 HydrophobicContact CD2-CE3 4.29Å; F523-W528 HydrophobicContact CD2-CG 4.16Å; F523-W528 HydrophobicContact CD2-CZ2 4.08Å; F523-W528 AromaticContact CD2-NE1 3.91Å; F523-I553 HydrophobicContact CB-CD1 3.76Å; F523-I553 HydrophobicContact CB-CG2 4.42Å; F523-I553 HydrophobicContact CD1-CG2 3.81Å; F523-I553 HydrophobicContact CG-CG2 4.42Å
524A84.9Confident88.8Confident37 Ų3756.3 Ų56.331%0.30630%0.295SS..EExtended strand (participates in β ladder)trans-139.5142.8179.300000110.7N526 S527 V529A524-N526 VanDerWaalsContact C-N 3.29Å; A524-N526 PolarHBondContact O-N 2.83Å; A524-S527 PolarHBondContact N-O 3.34Å; A524-S527 CarbonylContact O-C 3.57Å; A524-S527 PolarHBondContact O-N 2.68Å; A524-S527 PolarHBondContact O-OG 3.18Å; A524-V529 HydrophobicContact CB-CG2 4.16Å
525N83.4Confident88.1Confident160 Ų16057.4 Ų57.486%0.85631%0.306SS*.THydrogen-bonded Turntrans51.544179-57.5-30000113.4S527N525-S527 PolarHBondContact O-N 3.18Å
526N83.6Confident86.9Confident149 Ų14956.6 Ų56.680%0.79730%0.301SS*.THydrogen-bonded Turntrans57.624.5-175.7-71.4-14.9000115.1F523 A524F523-N526 HydrophobicContact CZ-CB 4.48Å; A524-N526 VanDerWaalsContact C-N 3.29Å; A524-N526 PolarHBondContact O-N 2.83Å
527S88.3Confident86.1Confident56 Ų5654.9 Ų54.939%0.39228%0.283SS..EExtended strand (participates in β ladder)trans-142.1154.2179.168.20000111.8A524 N525A524-S527 PolarHBondContact N-O 3.34Å; A524-S527 CarbonylContact O-C 3.57Å; A524-S527 PolarHBondContact O-N 2.68Å; A524-S527 PolarHBondContact O-OG 3.18Å; N525-S527 PolarHBondContact O-N 3.18Å
528W91.2Very high85.3Confident20 Ų2053.4 Ų53.48%0.07628%0.283CS..EExtended strand (participates in β ladder)trans-81129.1171.9-68.8100.3000110.3V471 F473 L493 F502 A503 C521 T522 F523 I553V471-W528 HydrophobicContact CB-CH2 4.18Å; V471-W528 HydrophobicContact CB-CZ3 4.19Å; V471-W528 HydrophobicContact CG2-CH2 3.7Å; V471-W528 HydrophobicContact CG2-CZ3 4.06Å; F473-W528 AromaticContact CE2-CD2 3.78Å; F473-W528 HydrophobicContact CE2-CD2 3.78Å; F473-W528 AromaticContact CE2-CE3 3.66Å; F473-W528 HydrophobicContact CE2-CE3 3.66Å; F473-W528 HydrophobicContact CE2-CG 4.41Å; F473-W528 HydrophobicContact CE2-CH2 4.16Å; F473-W528 HydrophobicContact CE2-CZ2 4.28Å; F473-W528 AromaticContact CE2-CZ3 3.85Å; F473-W528 HydrophobicContact CE2-CZ3 3.85Å; F473-W528 HydrophobicContact CZ-CD2 4.07Å; F473-W528 AromaticContact CZ-CE2 3.86Å; F473-W528 HydrophobicContact CZ-CE3 4.18Å; F473-W528 AromaticContact CZ-CH2 3.93Å; F473-W528 HydrophobicContact CZ-CH2 3.93Å; F473-W528 AromaticContact CZ-CZ2 3.81Å; F473-W528 HydrophobicContact CZ-CZ2 3.81Å; F473-W528 HydrophobicContact CZ-CZ3 4.11Å; L493-W528 HydrophobicContact CD1-CB 3.69Å; L493-W528 HydrophobicContact CD1-CG 3.84Å; F502-W528 HydrophobicContact CE1-CZ2 4.08Å; A503-W528 VanDerWaalsContact CB-CD1 3.4Å; C521-W528 HydrophobicContact CB-CB 4.36Å; C521-W528 HydrophobicContact CB-CE3 3.89Å; T522-W528 WeakPolarHBondContact O-CA 3.36Å; F523-W528 HydrophobicContact CB-CD2 4.48Å; F523-W528 HydrophobicContact CB-CE3 4.08Å; F523-W528 HydrophobicContact CB-CH2 4.22Å; F523-W528 HydrophobicContact CB-CZ3 3.96Å; F523-W528 AromaticContact CD2-CD2 3.84Å; F523-W528 HydrophobicContact CD2-CD2 3.84Å; F523-W528 AromaticContact CD2-CE2 3.71Å; F523-W528 HydrophobicContact CD2-CE3 4.29Å; F523-W528 HydrophobicContact CD2-CG 4.16Å; F523-W528 HydrophobicContact CD2-CZ2 4.08Å; F523-W528 AromaticContact CD2-NE1 3.91Å; W528-I553 HydrophobicContact CH2-CD1 4.17Å
529V90.7Very high84.9Confident64 Ų6459.6 Ų59.639%0.38831%0.31SS..EExtended strand (participates in β ladder)trans-116130.5-179.6-176.70000108.9C521 T522 A524C521-V529 CarbonylContact C-O 3.43Å; C521-V529 WeakPolarHBondContact CA-O 3.13Å; C521-V529 WeakPolarHBondContact CB-O 3.3Å; T522-V529 HydrophobicContact CG2-CB 4.22Å; T522-V529 PolarHBondContact N-O 2.98Å; T522-V529 PolarHBondContact O-N 3.22Å; A524-V529 HydrophobicContact CB-CG2 4.16Å
530F91.6Very high84.6Confident56 Ų5660.8 Ų60.825%0.24632%0.318CS..EExtended strand (participates in β ladder)trans-65.3133.9176.6171.3-93.2000111M505 L511 Y514 I519 R532M505-F530 HydrophobicContact CE-CB 4.11Å; L511-F530 HydrophobicContact CD2-CB 3.67Å; L511-F530 HydrophobicContact CD2-CD1 4.33Å; L511-F530 HydrophobicContact CD2-CD2 3.75Å; L511-F530 HydrophobicContact CD2-CE2 4.47Å; L511-F530 HydrophobicContact CD2-CG 3.66Å; Y514-F530 AromaticContact CD2-CE2 3.9Å; Y514-F530 HydrophobicContact CD2-CE2 3.9Å; Y514-F530 AromaticContact CD2-CZ 3.88Å; Y514-F530 HydrophobicContact CD2-CZ 3.88Å; Y514-F530 HydrophobicContact CE1-CZ 4.28Å; Y514-F530 AromaticContact CE2-CE1 3.97Å; Y514-F530 HydrophobicContact CE2-CE1 3.97Å; Y514-F530 HydrophobicContact CE2-CE2 4.02Å; Y514-F530 AromaticContact CE2-CZ 3.49Å; Y514-F530 HydrophobicContact CE2-CZ 3.49Å; Y514-F530 VanDerWaalsContact CE2-CZ 3.49Å; Y514-F530 HydrophobicContact CG-CE2 4.26Å; Y514-F530 HydrophobicContact CG-CZ 4.43Å; Y514-F530 AromaticContact CZ-CZ 3.72Å; I519-F530 HydrophobicContact CB-CD2 3.85Å; I519-F530 HydrophobicContact CB-CE2 3.82Å; I519-F530 HydrophobicContact CD1-CD2 3.99Å; I519-F530 HydrophobicContact CG1-CD2 4.5Å; I519-F530 HydrophobicContact CG2-CD2 4.03Å; I519-F530 HydrophobicContact CG2-CE2 3.65Å; F530-R532 VanDerWaalsContact CE2-C 3.48Å; F530-R532 WeakPolarHBondContact CE2-O 3.47Å; F530-R532 VanDerWaalsContact CZ-C 3.44Å
531M87.9Confident84.3Confident88 Ų8861.4 Ų61.443%0.43332%0.321SS..EExtended strand (participates in β ladder)trans-104.8-59.6173.2-61.4-175.371.500110.8E520 T522E520-M531 HydrophobicContact CG-SD 4.32Å; E520-M531 WeakPolarHBondContact O-CB 3.45Å; E520-M531 PolarHBondContact O-N 3.18Å; T522-M531 HydrophobicContact CG2-CG 3.86Å; T522-M531 HydrophobicContact CG2-SD 3.96Å
532R87.1Confident84Confident69 Ų6963.1 Ų63.126%0.2633%0.333SS..EExtended strand (participates in β ladder)trans-157.8165.4-175.963.8179.9-178.4126.2-22111.6D300 E520 F530 R534D300-R532 IonicContact OD1-NH2 2.93Å; D300-R532 PolarHBondContact OD1-NH2 3.01Å; D300-R532 IonicContact OD2-NH2 3.18Å; E520-R532 HydrophobicContact CB-CG 4.01Å; E520-R532 PolarHBondContact N-O 3.37Å; E520-R532 IonicContact OE2-CZ 3.82Å; E520-R532 IonicContact OE2-NE 3.28Å; E520-R532 PolarHBondContact OE2-NE 3.13Å; E520-R532 IonicContact OE2-NH2 3.71Å; E520-R532 PolarHBondContact OE2-NH2 3Å; E520-R532 VanDerWaalsContact OE2-NH2 3.14Å; F530-R532 VanDerWaalsContact CE2-C 3.48Å; F530-R532 WeakPolarHBondContact CE2-O 3.47Å; F530-R532 VanDerWaalsContact CZ-C 3.44Å; R532-R534 VanDerWaalsContact CZ-CD 3.46Å; R532-R534 VanDerWaalsContact NH2-NH1 3.13Å
533Q87.9Confident83.7Confident51 Ų5165.6 Ų65.624%0.23834%0.341CS..EExtended strand (participates in β ladder)trans-79.6144.3167.2-172-175.7-32.300110Y514 V535Y514-Q533 HydrophobicContact CD1-CB 4.09Å; Y514-Q533 HydrophobicContact CD1-CG 4.2Å; Y514-Q533 VanDerWaalsContact CD1-OE1 3.28Å; Y514-Q533 HydrophobicContact CE1-CB 3.99Å; Y514-Q533 HydrophobicContact CE1-CG 4.49Å; Y514-Q533 VanDerWaalsContact CE1-OE1 3.31Å; Q533-V535 HydrophobicContact CG-CG1 4.2Å
534R81.8Confident83.4Confident30 Ų3067.2 Ų67.211%0.11335%0.353CS..  trans-107.983.3174.5-64.2-62.3-64.1-115.56.7110.6D472 I518 E520 R532 D536 K537D472-R534 WeakPolarHBondContact OD1-CG 3.49Å; D472-R534 IonicContact OD1-NH1 2.73Å; I518-R534 HydrophobicContact CB-CB 4.35Å; I518-R534 HydrophobicContact CG2-CB 4.01Å; I518-R534 PolarHBondContact O-N 3.34Å; E520-R534 HydrophobicContact CB-CG 3.87Å; E520-R534 IonicContact OE1-NH1 3.38Å; E520-R534 WeakPolarHBondContact OE2-CD 3.49Å; E520-R534 IonicContact OE2-CZ 3.79Å; E520-R534 IonicContact OE2-NH1 3.98Å; E520-R534 PolarHBondContact OE2-NH1 2.93Å; R532-R534 VanDerWaalsContact CZ-CD 3.46Å; R532-R534 VanDerWaalsContact NH2-NH1 3.13Å; R534-D536 IonicContact CZ-OD1 2.7Å; R534-D536 IonicContact CZ-OD2 2.74Å; R534-D536 IonicContact NE-OD1 2.79Å; R534-D536 PolarHBondContact NE-OD1 3.45Å; R534-D536 IonicContact NE-OD2 3.4Å; R534-D536 PolarHBondContact NE-OD2 2.91Å; R534-D536 IonicContact NH2-OD1 3.19Å; R534-D536 IonicContact NH2-OD2 2.72Å; R534-D536 PolarHBondContact NH2-OD2 3.39Å; R534-K537 HydrophobicContact CB-CB 4.15Å; R534-K537 HydrophobicContact CB-CD 4.41Å; R534-K537 HydrophobicContact CB-CG 4.24Å; R534-K537 VanDerWaalsContact NH2-CE 3.31Å; R534-K537 PolarHBondContact O-N 3.41Å
535V77.4Confident83.3Confident69 Ų6968 Ų6842%0.41835%0.354SS..THydrogen-bonded Turntrans-72-22.6176-61.50000112.5E238 Q533 K537E238-V535 HydrophobicContact CB-CG2 4.38Å; E238-V535 HydrophobicContact CG-CG2 3.7Å; E238-V535 WeakPolarHBondContact OE1-CG2 3.45Å; Q533-V535 HydrophobicContact CG-CG1 4.2Å; V535-K537 PolarHBondContact O-N 2.78Å
536D65.7Low83.4Confident48 Ų4860.4 Ų60.426%0.25731%0.313SS..THydrogen-bonded Turntrans-67.3-18175.165-53.6000112.4R534R534-D536 IonicContact CZ-OD1 2.7Å; R534-D536 IonicContact CZ-OD2 2.74Å; R534-D536 IonicContact NE-OD1 2.79Å; R534-D536 PolarHBondContact NE-OD1 3.45Å; R534-D536 IonicContact NE-OD2 3.4Å; R534-D536 PolarHBondContact NE-OD2 2.91Å; R534-D536 IonicContact NH2-OD1 3.19Å; R534-D536 IonicContact NH2-OD2 2.72Å; R534-D536 PolarHBondContact NH2-OD2 3.39Å
537K72.4Confident83.6Confident50 Ų5057 Ų5722%0.21729%0.293CS..  trans-109.1128.4-174.7-65.5-166.1169.8179.40112.6D472 I518 R534 V535D472-K537 HydrophobicContact CB-CD 4.32Å; D472-K537 WeakPolarHBondContact OD2-CD 3.34Å; D472-K537 IonicContact OD2-NZ 2.78Å; D472-K537 PolarHBondContact OD2-NZ 3.33Å; I518-K537 HydrophobicContact CG2-CB 4.27Å; R534-K537 HydrophobicContact CB-CB 4.15Å; R534-K537 HydrophobicContact CB-CD 4.41Å; R534-K537 HydrophobicContact CB-CG 4.24Å; R534-K537 VanDerWaalsContact NH2-CE 3.31Å; R534-K537 PolarHBondContact O-N 3.41Å; V535-K537 PolarHBondContact O-N 2.78Å
538S74.4Confident83.2Confident52 Ų5256.2 Ų56.236%0.36429%0.291SS..SBendtrans-85-20.4171.3-70.20000113.8K231 D320K231-S538 WeakPolarHBondContact CE-OG 3.35Å; K231-S538 PolarHBondContact NZ-OG 3.43Å; D320-S538 PolarHBondContact OD2-OG 3.28Å
539F81.6Confident82.8Confident147 Ų14755.7 Ų55.765%0.64529%0.29SS*.SBendtrans-134.9148-175.8-58.9-79.2000111.1
540P86.6Confident82.5Confident25 Ų2553.7 Ų53.716%0.16228%0.278CS..PPolyproline II helixtrans-65.3167.5170.831.3-35.6000110.4D472 R474 I518D472-P540 WeakPolarHBondContact O-CB 3.41Å; R474-P540 HydrophobicContact CB-CB 4.36Å; R474-P540 HydrophobicContact CB-CG 4.27Å; I518-P540 HydrophobicContact CD1-CB 4.26Å; I518-P540 HydrophobicContact CD1-CG 4.49Å
541N84.8Confident82.1Confident25 Ų2554.4 Ų54.413%0.13428%0.281CS..PPolyproline II helixtrans-61.6149.3172.2-62.9164.1000110.4V471 D472 V495 G496 T545V471-N541 HydrophobicContact CG1-CB 4.24Å; D472-N541 PolarHBondContact N-OD1 3.41Å; D472-N541 PolarHBondContact O-N 2.81Å; D472-N541 PolarHBondContact OD2-ND2 3.33Å; D472-N541 PolarHBondContact OD2-OD1 2.79Å; V495-N541 CarbonylContact C-O 3.38Å; V495-N541 WeakPolarHBondContact CA-O 3.49Å; V495-N541 WeakPolarHBondContact CB-O 3.45Å; G496-N541 PolarHBondContact N-O 3.2Å; N541-T545 HydrophobicContact CB-CG2 4.01Å
542S83.6Confident81.8Confident36 Ų3650.7 Ų50.725%0.25226%0.264SS..BIsolated β-bridgetrans-64156.617367.10000111.2G496 D544 T545 A546G496-S542 CarbonylContact O-C 3.52Å; S542-D544 VanDerWaalsContact C-N 3.27Å; S542-D544 PolarHBondContact O-N 3.26Å; S542-T545 WeakPolarHBondContact O-CB 3.5Å; S542-T545 PolarHBondContact O-N 3.27Å; S542-T545 PolarHBondContact OG-N 2.8Å; S542-T545 PolarHBondContact OG-OG1 3.42Å; S542-A546 PolarHBondContact O-N 3.12Å
543Y85.6Confident81.5Confident74 Ų7449.3 Ų49.329%0.2926%0.261SS..Hα-helixtrans-50.6-47.7174.5177.9-98.7000111.9V495 G496 Y498 F502 T545 A546 M547V495-Y543 HydrophobicContact CG2-CD2 4.05Å; G496-Y543 WeakPolarHBondContact O-CB 3.49Å; G496-Y543 PolarHBondContact O-N 3.07Å; Y498-Y543 HydrophobicContact CD1-CD2 4.15Å; Y498-Y543 HydrophobicContact CD1-CE2 4.42Å; Y498-Y543 AromaticContact CD2-CD2 3.69Å; Y498-Y543 HydrophobicContact CD2-CD2 3.69Å; Y498-Y543 AromaticContact CD2-CE2 3.81Å; Y498-Y543 HydrophobicContact CD2-CE2 3.81Å; Y498-Y543 HydrophobicContact CD2-CG 4.42Å; Y498-Y543 HydrophobicContact CE2-CD2 4.32Å; Y498-Y543 AromaticContact CE2-CE2 3.97Å; Y498-Y543 HydrophobicContact CE2-CE2 3.97Å; Y498-Y543 AromaticContact CG-CD2 3.61Å; Y498-Y543 HydrophobicContact CG-CD2 3.61Å; Y498-Y543 HydrophobicContact CG-CE2 4.07Å; Y498-Y543 HydrophobicContact CG-CG 4.44Å; F502-Y543 HydrophobicContact CD2-CD2 4.25Å; F502-Y543 HydrophobicContact CD2-CE2 4.28Å; F502-Y543 HydrophobicContact CE2-CD2 4.34Å; F502-Y543 HydrophobicContact CE2-CE2 4.19Å; Y543-T545 VanDerWaalsContact C-N 3.28Å; Y543-T545 PolarHBondContact O-N 2.84Å; Y543-A546 PolarHBondContact O-N 3.37Å; Y543-M547 HydrophobicContact CD1-CG 4.04Å; Y543-M547 HydrophobicContact CD2-CG 4.25Å; Y543-M547 HydrophobicContact CE1-CG 3.57Å; Y543-M547 HydrophobicContact CE2-CG 3.8Å; Y543-M547 HydrophobicContact CE2-SD 4.19Å; Y543-M547 HydrophobicContact CG-CG 4.36Å; Y543-M547 VanDerWaalsContact CZ-CG 3.43Å; Y543-M547 WeakPolarHBondContact O-CB 3.45Å; Y543-M547 WeakPolarHBondContact O-CG 3.33Å; Y543-M547 PolarHBondContact O-N 2.83Å
544D81.1Confident81.2Confident106 Ų10655 Ų5557%0.56729%0.285SS*.Hα-helixtrans-59.8-39.8178.2-60.7-36000112.3S542 A548S542-D544 VanDerWaalsContact C-N 3.27Å; S542-D544 PolarHBondContact O-N 3.26Å; D544-A548 VanDerWaalsContact O-CB 3.27Å; D544-A548 WeakPolarHBondContact O-CB 3.36Å; D544-A548 PolarHBondContact O-N 2.9Å
545T82.6Confident81.3Confident53 Ų5358.2 Ų58.233%0.32530%0.301SS..Hα-helixtrans-66.5-45.2177.5-56.90000110.6N541 S542 Y543 A548 V549N541-T545 HydrophobicContact CB-CG2 4.01Å; S542-T545 WeakPolarHBondContact O-CB 3.5Å; S542-T545 PolarHBondContact O-N 3.27Å; S542-T545 PolarHBondContact OG-N 2.8Å; S542-T545 PolarHBondContact OG-OG1 3.42Å; Y543-T545 VanDerWaalsContact C-N 3.28Å; Y543-T545 PolarHBondContact O-N 2.84Å; T545-A548 PolarHBondContact O-N 2.91Å; T545-V549 WeakPolarHBondContact O-CG2 3.16Å; T545-V549 PolarHBondContact O-N 3.27Å
546A86.4Confident81.7Confident0 Ų056.4 Ų56.40%029%0.291CS..Hα-helixtrans-63.6-43.7178.100000111.6V471 V495 F502 S542 Y543 V549 C550V471-A546 HydrophobicContact CG1-CB 3.77Å; V495-A546 HydrophobicContact CB-CB 4.38Å; V495-A546 HydrophobicContact CG1-CB 3.66Å; F502-A546 HydrophobicContact CE1-CB 4.47Å; F502-A546 HydrophobicContact CE2-CB 4.05Å; F502-A546 HydrophobicContact CZ-CB 4Å; S542-A546 PolarHBondContact O-N 3.12Å; Y543-A546 PolarHBondContact O-N 3.37Å; A546-V549 PolarHBondContact O-N 2.96Å; A546-C550 PolarHBondContact O-N 3.12Å; A546-C550 PolarHBondContact O-SG 2.77Å; A546-C550 VanDerWaalsContact O-SG 3.39Å
547M86.4Confident82.7Confident77 Ų7754.6 Ų54.638%0.37928%0.282SS..Hα-helixtrans-63.9-39.6175.4-75.2-58.4-65.200112.4F502 Y543 V549 C550 K551F502-M547 HydrophobicContact CE2-CG 4.31Å; F502-M547 HydrophobicContact CE2-SD 3.84Å; F502-M547 HydrophobicContact CZ-SD 4.16Å; Y543-M547 HydrophobicContact CD1-CG 4.04Å; Y543-M547 HydrophobicContact CD2-CG 4.25Å; Y543-M547 HydrophobicContact CE1-CG 3.57Å; Y543-M547 HydrophobicContact CE2-CG 3.8Å; Y543-M547 HydrophobicContact CE2-SD 4.19Å; Y543-M547 HydrophobicContact CG-CG 4.36Å; Y543-M547 VanDerWaalsContact CZ-CG 3.43Å; Y543-M547 WeakPolarHBondContact O-CB 3.45Å; Y543-M547 WeakPolarHBondContact O-CG 3.33Å; Y543-M547 PolarHBondContact O-N 2.83Å; M547-V549 VanDerWaalsContact C-N 3.34Å; M547-C550 PolarHBondContact O-N 2.92Å; M547-K551 WeakPolarHBondContact O-CB 3.34Å; M547-K551 PolarHBondContact O-N 3.45Å
548A80.9Confident83.5Confident41 Ų4154 Ų5434%0.33928%0.283SS..Hα-helixtrans-61.2-43.1174.100000111.4D544 T545 K551 S552D544-A548 VanDerWaalsContact O-CB 3.27Å; D544-A548 WeakPolarHBondContact O-CB 3.36Å; D544-A548 PolarHBondContact O-N 2.9Å; T545-A548 PolarHBondContact O-N 2.91Å; A548-K551 WeakPolarHBondContact O-CB 3.25Å; A548-K551 PolarHBondContact O-N 3.13Å; A548-S552 PolarHBondContact O-N 2.83Å; A548-S552 PolarHBondContact O-OG 3.33Å
549V83.3Confident84.2Confident9 Ų954.1 Ų54.16%0.05528%0.277CS..Hα-helixtrans-65.4-42.4174.9177.90000111.1N469 V471 T545 A546 M547 K551 S552 I553N469-V549 HydrophobicContact CB-CG1 4.12Å; V471-V549 HydrophobicContact CG2-CB 3.6Å; V471-V549 HydrophobicContact CG2-CG1 3.54Å; V471-V549 HydrophobicContact CG2-CG2 4.04Å; T545-V549 WeakPolarHBondContact O-CG2 3.16Å; T545-V549 PolarHBondContact O-N 3.27Å; A546-V549 PolarHBondContact O-N 2.96Å; M547-V549 VanDerWaalsContact C-N 3.34Å; V549-K551 VanDerWaalsContact C-N 3.29Å; V549-K551 PolarHBondContact O-N 3.43Å; V549-S552 CarbonylContact O-C 3.6Å; V549-S552 WeakPolarHBondContact O-CB 3.17Å; V549-S552 PolarHBondContact O-N 2.73Å; V549-S552 VanDerWaalsContact O-N 3.13Å; V549-I553 HydrophobicContact CG1-CD1 3.84Å; V549-I553 HydrophobicContact CG1-CG1 4.4Å; V549-I553 WeakPolarHBondContact O-CG1 3.36Å; V549-I553 PolarHBondContact O-N 2.9Å
550C84.2Confident84.6Confident22 Ų2253 Ų5315%0.14927%0.273CS..Hα-helixtrans-60.2-38.2174.2-72.80000112.6A546 M547 I553 K554A546-C550 PolarHBondContact O-N 3.12Å; A546-C550 PolarHBondContact O-SG 2.77Å; A546-C550 VanDerWaalsContact O-SG 3.39Å; M547-C550 PolarHBondContact O-N 2.92Å; C550-I553 PolarHBondContact O-N 3.18Å; C550-K554 WeakPolarHBondContact O-CG 3.42Å; C550-K554 PolarHBondContact O-N 2.55Å
551K82.8Confident84.8Confident71 Ų7154.2 Ų54.231%0.30928%0.278SS..Hα-helixtrans-62.9-45.9172.8-170.9-171.4178-161.60110.6D281 Q283 M547 A548 V549 I553 K554 E555D281-K551 IonicContact OD2-NZ 3.91Å; D281-K551 PolarHBondContact OD2-NZ 3.41Å; Q283-K551 VanDerWaalsContact OE1-NZ 3.14Å; M547-K551 WeakPolarHBondContact O-CB 3.34Å; M547-K551 PolarHBondContact O-N 3.45Å; A548-K551 WeakPolarHBondContact O-CB 3.25Å; A548-K551 PolarHBondContact O-N 3.13Å; V549-K551 VanDerWaalsContact C-N 3.29Å; V549-K551 PolarHBondContact O-N 3.43Å; K551-I553 VanDerWaalsContact C-N 3.26Å; K551-I553 PolarHBondContact O-N 2.91Å; K551-K554 PolarHBondContact O-N 3.4Å; K551-E555 PolarHBondContact O-N 2.83Å
552S80.6Confident85.1Confident10 Ų1053 Ų537%0.0727%0.271CS..Hα-helixtrans-62.5-28.9175.1-62.60000113.4A548 V549 P556A548-S552 PolarHBondContact O-N 2.83Å; A548-S552 PolarHBondContact O-OG 3.33Å; V549-S552 CarbonylContact O-C 3.6Å; V549-S552 WeakPolarHBondContact O-CB 3.17Å; V549-S552 PolarHBondContact O-N 2.73Å; V549-S552 VanDerWaalsContact O-N 3.13Å; S552-P556 WeakPolarHBondContact O-CA 3.37Å
553I81.9Confident85.4Confident40 Ų4051.7 Ų51.721%0.20526%0.261CS..Hα-helixtrans-75.7-40.3174.4-68.5160000111.2N469 F523 W528 V549 C550 K551N469-I553 HydrophobicContact CB-CD1 4.3Å; N469-I553 HydrophobicContact CB-CG1 3.9Å; F523-I553 HydrophobicContact CB-CD1 3.76Å; F523-I553 HydrophobicContact CB-CG2 4.42Å; F523-I553 HydrophobicContact CD1-CG2 3.81Å; F523-I553 HydrophobicContact CG-CG2 4.42Å; W528-I553 HydrophobicContact CH2-CD1 4.17Å; V549-I553 HydrophobicContact CG1-CD1 3.84Å; V549-I553 HydrophobicContact CG1-CG1 4.4Å; V549-I553 WeakPolarHBondContact O-CG1 3.36Å; V549-I553 PolarHBondContact O-N 2.9Å; C550-I553 PolarHBondContact O-N 3.18Å; K551-I553 VanDerWaalsContact C-N 3.26Å; K551-I553 PolarHBondContact O-N 2.91Å
554K81.8Confident85.6Confident171 Ų17153.1 Ų53.174%0.74327%0.271SS*.Hα-helixtrans-70.5-41.7179.2-73.7178.2-178.8-177.50112.6C550 K551 P556C550-K554 WeakPolarHBondContact O-CG 3.42Å; C550-K554 PolarHBondContact O-N 2.55Å; K551-K554 PolarHBondContact O-N 3.4Å; K554-P556 VanDerWaalsContact C-CD 3.42Å; K554-P556 WeakPolarHBondContact O-CD 3.42Å
555E83.8Confident85.9Confident96 Ų9650.2 Ų50.245%0.44925%0.252SS..SBendtrans-121.569.8-179.8-66.9-179.7-17000110.1K551 V557K551-E555 PolarHBondContact O-N 2.83Å; E555-V557 PolarHBondContact O-N 3.41Å
556P85.5Confident86.2Confident32 Ų3247.9 Ų47.921%0.20824%0.238CC..  trans-65.2137-174.526.2-32.9000111.2P466 S552 K554 T558P466-P556 HydrophobicContact CB-CB 3.88Å; P466-P556 HydrophobicContact CG-CB 3.52Å; S552-P556 WeakPolarHBondContact O-CA 3.37Å; K554-P556 VanDerWaalsContact C-CD 3.42Å; K554-P556 WeakPolarHBondContact O-CD 3.42Å; P556-T558 HydrophobicContact CB-CG2 4.36Å; P556-T558 HydrophobicContact CG-CG2 4.39Å; P556-T558 PolarHBondContact O-N 3.25Å
557V87.1Confident86.2Confident9 Ų951.3 Ų51.36%0.05526%0.256CS..  trans-83.192.2158.21790000105.8M280 R282 L285 W463 E555 I561 L562M280-V557 HydrophobicContact SD-CG1 4.33Å; R282-V557 HydrophobicContact CG-CG2 4.12Å; L285-V557 HydrophobicContact CD1-CG1 3.87Å; L285-V557 HydrophobicContact CD1-CG2 3.85Å; L285-V557 HydrophobicContact CD2-CG1 4.28Å; L285-V557 HydrophobicContact CG-CG1 4.42Å; L285-V557 HydrophobicContact CG-CG2 4.37Å; W463-V557 PolarHBondContact NE1-O 2.89Å; E555-V557 PolarHBondContact O-N 3.41Å; V557-I561 HydrophobicContact CG1-CG2 4.32Å; V557-L562 HydrophobicContact CG1-CB 4.13Å
558T89.4Confident86.1Confident39 Ų3954.5 Ų54.524%0.23926%0.263CS..  trans-67.6166.2175.977.20000110P556 E560 I561 L562P556-T558 HydrophobicContact CB-CG2 4.36Å; P556-T558 HydrophobicContact CG-CG2 4.39Å; P556-T558 PolarHBondContact O-N 3.25Å; T558-E560 WeakPolarHBondContact CB-OE2 3.48Å; T558-E560 PolarHBondContact O-N 3.17Å; T558-E560 PolarHBondContact OG1-OE2 2.93Å; T558-I561 HydrophobicContact CG2-CD1 4.28Å; T558-I561 PolarHBondContact O-N 3.12Å; T558-I561 WeakPolarHBondContact OG1-CG1 3.17Å; T558-I561 PolarHBondContact OG1-N 3.4Å; T558-L562 PolarHBondContact O-N 2.94Å
559K89.1Confident85.9Confident54 Ų5453 Ų5324%0.23525%0.25CS..Hα-helixtrans-59.5-39.3178.5-171.3-165.9-164.7-167.90111.4L429 E430 W463 L562 F563L429-K559 HydrophobicContact CD1-CG 4.2Å; E430-K559 VanDerWaalsContact CD-NZ 3.3Å; E430-K559 VanDerWaalsContact CG-CE 3.43Å; E430-K559 WeakPolarHBondContact OE1-CE 3.46Å; E430-K559 IonicContact OE1-NZ 3.94Å; E430-K559 PolarHBondContact OE1-NZ 3.35Å; W463-K559 HydrophobicContact CH2-CB 4.19Å; W463-K559 HydrophobicContact CH2-CG 4.34Å; W463-K559 HydrophobicContact CZ2-CB 4.12Å; K559-L562 PolarHBondContact O-N 3.21Å; K559-F563 HydrophobicContact CD-CE2 3.77Å; K559-F563 HydrophobicContact CD-CZ 4.18Å; K559-F563 HydrophobicContact CG-CD2 3.99Å; K559-F563 HydrophobicContact CG-CE1 4.43Å; K559-F563 HydrophobicContact CG-CE2 3.4Å; K559-F563 HydrophobicContact CG-CZ 3.64Å; K559-F563 WeakPolarHBondContact O-CD2 3.47Å; K559-F563 VanDerWaalsContact O-CG 3.25Å; K559-F563 WeakPolarHBondContact O-CG 3.44Å; K559-F563 PolarHBondContact O-N 3.36Å
560E89.4Confident85.3Confident123 Ų12354 Ų5458%0.57526%0.26SS*.Hα-helixtrans-64.3-46.8178.8-58.368.2-144.600110.5T558 L562 F563 E564T558-E560 WeakPolarHBondContact CB-OE2 3.48Å; T558-E560 PolarHBondContact O-N 3.17Å; T558-E560 PolarHBondContact OG1-OE2 2.93Å; E560-L562 VanDerWaalsContact C-N 3.35Å; E560-L562 PolarHBondContact O-N 3.47Å; E560-F563 PolarHBondContact O-N 2.65Å; E560-E564 WeakPolarHBondContact O-CB 3.42Å; E560-E564 PolarHBondContact O-N 2.9Å
561I90.3Very high84.3Confident50 Ų5059.5 Ų59.526%0.25628%0.283SS..Hα-helixtrans-60.9-45.3176.7-65171.9000110.6L285 V557 T558 F563 E564 Y565L285-I561 HydrophobicContact CD1-CG2 4.4Å; V557-I561 HydrophobicContact CG1-CG2 4.32Å; T558-I561 HydrophobicContact CG2-CD1 4.28Å; T558-I561 PolarHBondContact O-N 3.12Å; T558-I561 WeakPolarHBondContact OG1-CG1 3.17Å; T558-I561 PolarHBondContact OG1-N 3.4Å; I561-F563 PolarHBondContact O-N 2.9Å; I561-E564 PolarHBondContact O-N 2.87Å; I561-Y565 WeakPolarHBondContact O-CB 3.32Å; I561-Y565 PolarHBondContact O-N 3.32Å
562L90.8Very high83.1Confident0 Ų057.7 Ų57.70%028%0.284CS..Hα-helixtrans-59.4-48.3178.2175.461000111M280 L285 L288 L444 F446 W463 V557 T558 K559 E560 Y565 L566M280-L562 HydrophobicContact CE-CD1 4.45Å; M280-L562 HydrophobicContact SD-CD1 3.9Å; L285-L562 HydrophobicContact CD2-CD1 4.03Å; L288-L562 HydrophobicContact CD1-CD1 4.41Å; L444-L562 HydrophobicContact CD1-CD2 4.14Å; F446-L562 HydrophobicContact CE2-CD2 4.42Å; F446-L562 HydrophobicContact CZ-CD1 4.05Å; F446-L562 HydrophobicContact CZ-CD2 4.17Å; W463-L562 HydrophobicContact CD2-CD2 3.82Å; W463-L562 HydrophobicContact CE3-CD2 4.3Å; W463-L562 HydrophobicContact CG-CD2 3.99Å; W463-L562 HydrophobicContact CZ2-CD2 4.44Å; V557-L562 HydrophobicContact CG1-CB 4.13Å; T558-L562 PolarHBondContact O-N 2.94Å; K559-L562 PolarHBondContact O-N 3.21Å; E560-L562 VanDerWaalsContact C-N 3.35Å; E560-L562 PolarHBondContact O-N 3.47Å; L562-Y565 WeakPolarHBondContact O-CB 3.44Å; L562-Y565 PolarHBondContact O-N 2.95Å; L562-L566 HydrophobicContact CD1-CD1 4.18Å; L562-L566 HydrophobicContact CD1-CG 4.27Å; L562-L566 HydrophobicContact CG-CD1 4.12Å; L562-L566 VanDerWaalsContact O-CG 3.29Å; L562-L566 WeakPolarHBondContact O-CG 3.34Å; L562-L566 PolarHBondContact O-N 2.91Å
563F90.4Very high81.9Confident9 Ų961.6 Ų61.64%0.03931%0.308CS..Hα-helixtrans-66.7-42.4-179.4-67.5-24.1000113.1R426 L429 E430 K559 E560 I561 Y565 L566 D567R426-F563 HydrophobicContact CB-CD1 4.41Å; R426-F563 HydrophobicContact CB-CE1 4.04Å; R426-F563 HydrophobicContact CB-CZ 4.14Å; R426-F563 HydrophobicContact CG-CE1 4.46Å; R426-F563 HydrophobicContact CG-CE2 4.13Å; R426-F563 HydrophobicContact CG-CZ 4.11Å; R426-F563 VanDerWaalsContact NH1-CD2 3.3Å; L429-F563 HydrophobicContact CB-CZ 4.12Å; L429-F563 HydrophobicContact CD1-CE1 3.99Å; L429-F563 HydrophobicContact CD1-CZ 3.85Å; E430-F563 HydrophobicContact CG-CE2 4.29Å; E430-F563 HydrophobicContact CG-CZ 4.49Å; E430-F563 WeakPolarHBondContact OE1-CE2 3.38Å; K559-F563 HydrophobicContact CD-CE2 3.77Å; K559-F563 HydrophobicContact CD-CZ 4.18Å; K559-F563 HydrophobicContact CG-CD2 3.99Å; K559-F563 HydrophobicContact CG-CE1 4.43Å; K559-F563 HydrophobicContact CG-CE2 3.4Å; K559-F563 HydrophobicContact CG-CZ 3.64Å; K559-F563 WeakPolarHBondContact O-CD2 3.47Å; K559-F563 VanDerWaalsContact O-CG 3.25Å; K559-F563 WeakPolarHBondContact O-CG 3.44Å; K559-F563 PolarHBondContact O-N 3.36Å; E560-F563 PolarHBondContact O-N 2.65Å; I561-F563 PolarHBondContact O-N 2.9Å; F563-Y565 PolarHBondContact O-N 3.16Å; F563-L566 HydrophobicContact CD1-CD1 4.38Å; F563-L566 PolarHBondContact O-N 2.86Å; F563-D567 WeakPolarHBondContact O-CB 3.15Å; F563-D567 VanDerWaalsContact O-CG 3.22Å; F563-D567 PolarHBondContact O-N 2.94Å
564E89.5Confident80.4Confident104 Ų10465 Ų6549%0.48633%0.326SS..Hα-helixtrans-58.5-40.3174.9-169.3-174.8171.700111E560 I561 D567 R568E560-E564 WeakPolarHBondContact O-CB 3.42Å; E560-E564 PolarHBondContact O-N 2.9Å; I561-E564 PolarHBondContact O-N 2.87Å; E564-D567 PolarHBondContact O-N 2.88Å; E564-R568 WeakPolarHBondContact O-CG 3.35Å; E564-R568 PolarHBondContact O-N 3.43Å; E564-R568 VanDerWaalsContact O-N 3.09Å; E564-R568 IonicContact OE1-CZ 2.72Å; E564-R568 IonicContact OE1-NE 3.86Å; E564-R568 IonicContact OE1-NH2 2.63Å; E564-R568 PolarHBondContact OE1-NH2 2.94Å
565Y88.9Confident78.6Confident45 Ų4559.6 Ų59.618%0.17631%0.314CS..Hα-helixtrans-64.4-44.9176.2-159.1-85.6000112.3L285 R286 E289 I561 L562 F563 D567 R568 C569L285-Y565 HydrophobicContact CB-CE2 4.49Å; L285-Y565 WeakPolarHBondContact O-CE1 3.45Å; R286-Y565 WeakPolarHBondContact CA-OH 2.96Å; E289-Y565 HydrophobicContact CB-CE1 4.23Å; E289-Y565 PolarHBondContact OE2-OH 3.45Å; I561-Y565 WeakPolarHBondContact O-CB 3.32Å; I561-Y565 PolarHBondContact O-N 3.32Å; L562-Y565 WeakPolarHBondContact O-CB 3.44Å; L562-Y565 PolarHBondContact O-N 2.95Å; F563-Y565 PolarHBondContact O-N 3.16Å; Y565-D567 VanDerWaalsContact C-N 3.33Å; Y565-D567 PolarHBondContact O-N 3.07Å; Y565-R568 PolarHBondContact O-N 2.82Å; Y565-C569 PolarHBondContact O-N 2.82Å; Y565-C569 PolarHBondContact O-SG 3.38Å
566L88.2Confident76.9Confident4 Ų461.9 Ų61.92%0.02132%0.324CS..Hα-helixtrans-64.2-37.6177.6-69.3174.1000112.2L288 I422 H423 F446 L562 F563 C569 A570L288-L566 HydrophobicContact CD1-CD2 4.12Å; I422-L566 HydrophobicContact CB-CD2 3.95Å; I422-L566 HydrophobicContact CD1-CD2 3.95Å; I422-L566 HydrophobicContact CG1-CD2 4.17Å; H423-L566 PolarHBondContact CE1-O 3.02Å; H423-L566 VanDerWaalsContact CE1-O 3.28Å; F446-L566 HydrophobicContact CE1-CD2 4.47Å; L562-L566 HydrophobicContact CD1-CD1 4.18Å; L562-L566 HydrophobicContact CD1-CG 4.27Å; L562-L566 HydrophobicContact CG-CD1 4.12Å; L562-L566 VanDerWaalsContact O-CG 3.29Å; L562-L566 WeakPolarHBondContact O-CG 3.34Å; L562-L566 PolarHBondContact O-N 2.91Å; F563-L566 HydrophobicContact CD1-CD1 4.38Å; F563-L566 PolarHBondContact O-N 2.86Å; L566-C569 WeakPolarHBondContact O-CB 3.33Å; L566-C569 PolarHBondContact O-N 2.9Å; L566-A570 PolarHBondContact O-N 3.28Å
567D86.3Confident74.8Confident72 Ų7264.3 Ų64.339%0.38534%0.342SS..Hα-helixtrans-66.8-37.4177.2-68.7-24.6000110.9R426 F563 E564 Y565 A570 Q571R426-D567 IonicContact NH2-OD2 2.76Å; R426-D567 PolarHBondContact NH2-OD2 2.88Å; F563-D567 WeakPolarHBondContact O-CB 3.15Å; F563-D567 VanDerWaalsContact O-CG 3.22Å; F563-D567 PolarHBondContact O-N 2.94Å; E564-D567 PolarHBondContact O-N 2.88Å; Y565-D567 VanDerWaalsContact C-N 3.33Å; Y565-D567 PolarHBondContact O-N 3.07Å; D567-A570 WeakPolarHBondContact O-CB 3.48Å; D567-A570 PolarHBondContact O-N 3Å; D567-Q571 WeakPolarHBondContact O-CG 3.48Å; D567-Q571 PolarHBondContact O-N 2.79Å
568R83.9Confident72.7Confident143 Ų14374.8 Ų74.854%0.5438%0.381SS..Hα-helixtrans-64.4-40.1172.3-69.9174.7-169.6-166.23.9112.5E564 Y565 A570 Q571 G572E564-R568 WeakPolarHBondContact O-CG 3.35Å; E564-R568 PolarHBondContact O-N 3.43Å; E564-R568 VanDerWaalsContact O-N 3.09Å; E564-R568 IonicContact OE1-CZ 2.72Å; E564-R568 IonicContact OE1-NE 3.86Å; E564-R568 IonicContact OE1-NH2 2.63Å; E564-R568 PolarHBondContact OE1-NH2 2.94Å; Y565-R568 PolarHBondContact O-N 2.82Å; R568-A570 VanDerWaalsContact C-N 3.27Å; R568-A570 PolarHBondContact O-N 3.21Å; R568-Q571 PolarHBondContact O-N 2.87Å; R568-Q571 VanDerWaalsContact O-N 3.14Å; R568-G572 PolarHBondContact O-N 3.43Å
569C77.9Confident70.4Confident9 Ų981.7 Ų81.76%0.06141%0.407CS..Hα-helixtrans-59-39.8176.1-65.10000111.4Y565 L566 Q571 G572 V573Y565-C569 PolarHBondContact O-N 2.82Å; Y565-C569 PolarHBondContact O-SG 3.38Å; L566-C569 WeakPolarHBondContact O-CB 3.33Å; L566-C569 PolarHBondContact O-N 2.9Å; C569-Q571 VanDerWaalsContact C-N 3.34Å; C569-Q571 PolarHBondContact O-N 2.65Å; C569-G572 PolarHBondContact O-N 3.18Å; C569-V573 WeakPolarHBondContact O-CG2 3.46Å; C569-V573 PolarHBondContact O-N 2.8Å
570A69.1Low67.7Low31 Ų3189.5 Ų89.526%0.25644%0.435SS..Hα-helixtrans-62.5-39176.300000112.8H423 L566 D567 R568 N574H423-A570 VanDerWaalsContact CE1-CB 3.49Å; H423-A570 WeakPolarHBondContact CE1-CB 3.39Å; L566-A570 PolarHBondContact O-N 3.28Å; D567-A570 WeakPolarHBondContact O-CB 3.48Å; D567-A570 PolarHBondContact O-N 3Å; R568-A570 VanDerWaalsContact C-N 3.27Å; R568-A570 PolarHBondContact O-N 3.21Å; A570-N574 PolarHBondContact O-N 3.38Å
571Q63.4Low65.2Low138 Ų13889.5 Ų89.565%0.64545%0.446SS*.Hα-helixtrans-71.2-37.2-179.5-65.9176.59.900112D567 R568 C569 N574 A575D567-Q571 WeakPolarHBondContact O-CG 3.48Å; D567-Q571 PolarHBondContact O-N 2.79Å; R568-Q571 PolarHBondContact O-N 2.87Å; R568-Q571 VanDerWaalsContact O-N 3.14Å; C569-Q571 VanDerWaalsContact C-N 3.34Å; C569-Q571 PolarHBondContact O-N 2.65Å; Q571-N574 PolarHBondContact O-N 2.83Å; Q571-A575 PolarHBondContact O-N 2.93Å
572G58.5Low62.7Low32 Ų3291.5 Ų91.533%0.3347%0.465SS..Hα-helixtrans-65.2-40.2176.200000113.8R568 C569 A575 Q576R568-G572 PolarHBondContact O-N 3.43Å; C569-G572 PolarHBondContact O-N 3.18Å; G572-A575 PolarHBondContact O-N 2.95Å; G572-Q576 PolarHBondContact O-N 3.01Å; G572-Q576 VanDerWaalsContact O-N 3.07Å
573V55.6Low60.4Low93 Ų9396.7 Ų96.756%0.56449%0.493SS*.Hα-helixtrans-66.4-38.7177.2177.10000111.4C569 A575 Q576 S577C569-V573 WeakPolarHBondContact O-CG2 3.46Å; C569-V573 PolarHBondContact O-N 2.8Å; V573-A575 VanDerWaalsContact C-N 3.33Å; V573-A575 PolarHBondContact O-N 2.88Å; V573-Q576 PolarHBondContact O-N 3.19Å; V573-S577 PolarHBondContact O-N 2.84Å
574N49.5Very low58.1Low110 Ų110101.2 Ų101.259%0.58852%0.523SS*.Hα-helixtrans-65.4-33.9174.4-82.7-26.6000112.9A570 Q571 S577A570-N574 PolarHBondContact O-N 3.38Å; Q571-N574 PolarHBondContact O-N 2.83Å; N574-S577 PolarHBondContact O-OG 2.95Å
575A45Very low55.9Low58 Ų58102 Ų10248%0.47953%0.53SS..Hα-helixtrans-72.9-31.6175.200000113.2Q571 G572 V573Q571-A575 PolarHBondContact O-N 2.93Å; G572-A575 PolarHBondContact O-N 2.95Å; V573-A575 VanDerWaalsContact C-N 3.33Å; V573-A575 PolarHBondContact O-N 2.88Å
576Q46.8Very low53.8Low144 Ų144103.8 Ų103.867%0.67355%0.549SS*.Hα-helixtrans-77.6-33.4175.8-76.3-179.5-5.100113.2G572 V573 R578 K579G572-Q576 PolarHBondContact O-N 3.01Å; G572-Q576 VanDerWaalsContact O-N 3.07Å; V573-Q576 PolarHBondContact O-N 3.19Å; Q576-R578 PolarHBondContact O-N 2.96Å; Q576-K579 PolarHBondContact O-N 3.26Å; Q576-K579 VanDerWaalsContact O-N 3.1Å
577S42.8Very low51.7Low84 Ų84111.9 Ų111.959%0.58759%0.587SS**Hα-helixtrans-64.5-26.5174.884.70000113V573 N574 K579V573-S577 PolarHBondContact O-N 2.84Å; N574-S577 PolarHBondContact O-OG 2.95Å; S577-K579 VanDerWaalsContact C-N 3.3Å; S577-K579 PolarHBondContact O-N 3.48Å
578R43Very low49.7Very low229 Ų229115.1 Ų115.186%0.86460%0.603SS**THydrogen-bonded Turntrans-78.3-4.8174.4-74-177.5173.7179.4-1.6114.7Q576Q576-R578 PolarHBondContact O-N 2.96Å
579K39.4Very low47.6Very low183 Ų183115.8 Ų115.880%0.79662%0.615SS**THydrogen-bonded Turntrans-111.85.2-175.8-81.2-172.3176.2-177.50114.9Q576 S577Q576-K579 PolarHBondContact O-N 3.26Å; Q576-K579 VanDerWaalsContact O-N 3.1Å; S577-K579 VanDerWaalsContact C-N 3.3Å; S577-K579 PolarHBondContact O-N 3.48Å
580R33.3Very low46.1Very low218 Ų218120.7 Ų120.782%0.82365%0.646SS**SBendtrans-87.1128.8166.5-73.8-173.3178.8-172-0.2108.9S582R580-S582 PolarHBondContact O-N 3.37Å
581P36.6Very low45Very low124 Ų124124.8 Ų124.881%0.80567%0.67SS**PPolyproline II helixtrans-62.4138.9169.45.55.3000108.6D583P581-D583 PolarHBondContact O-N 3.48Å
582S38.7Very low44Very low92 Ų92123.8 Ų123.864%0.64368%0.676SS**PPolyproline II helixtrans-55.7134.317040.30000110R580R580-S582 PolarHBondContact O-N 3.37Å
583D41.3Very low43.3Very low109 Ų109127.9 Ų127.958%0.58370%0.696SS**PPolyproline II helixtrans-55.7121.5171.2-164.8-8.1000109.4P581 D585 S586P581-D583 PolarHBondContact O-N 3.48Å; D583-D585 PolarHBondContact O-N 3.24Å; D583-S586 PolarHBondContact O-N 3.37Å; D583-S586 VanDerWaalsContact O-N 3.09Å; D583-S586 PolarHBondContact O-OG 3.19Å
584P42.3Very low42.8Very low103 Ų103129.4 Ų129.467%0.66971%0.708SS**G310 helixtrans-62.8-13.6-175.623.4-32.9000113.8S586P584-S586 VanDerWaalsContact C-N 3.27Å; P584-S586 PolarHBondContact O-N 3.36Å
585D43.6Very low42.3Very low122 Ų122134.1 Ų134.165%0.65272%0.723SS**G310 helixtrans-79.1-6.7176.1-78.1-8.2000113.9D583D583-D585 PolarHBondContact O-N 3.24Å
586S44.8Very low42.1Very low81 Ų81142.3 Ų142.357%0.56674%0.742SS**G310 helixtrans-81.8-9.5179.4600000114.8D583 P584D583-S586 PolarHBondContact O-N 3.37Å; D583-S586 VanDerWaalsContact O-N 3.09Å; D583-S586 PolarHBondContact O-OG 3.19Å; P584-S586 VanDerWaalsContact C-N 3.27Å; P584-S586 PolarHBondContact O-N 3.36Å
587E43.4Very low41.9Very low175 Ų175140.6 Ų140.682%0.81874%0.743SS**G310 helixtrans-90.2-4178.3-69.4-168.1165.300114.4
588L44.6Very low41.7Very low139 Ų139144.5 Ų144.573%0.72876%0.758SS**SBendtrans-99.73.6-173.8-82.6166.9000116
589M39.7Very low41.4Very low158 Ų158144.9 Ų144.978%0.77876%0.759SS**SBendtrans-115.1118.4-179.3-68.3-68.1-75.100111.6
590P47.4Very low41.9Very low111 Ų111140.5 Ų140.572%0.72176%0.757SS**PPolyproline II helixtrans-65.8145174.426-31.2000110.6
591P45.1Very low42Very low117 Ų117134.5 Ų134.576%0.7675%0.754SS**PPolyproline II helixtrans-64.8143.9-174.624.7-32.9000111.8
592P42.3Very low42.6Very low118 Ų118138.1 Ų138.177%0.76678%0.778SS**PPolyproline II helixtrans-67.2142.4178.426.8-32.3000111
593P43.6Very low42.8Very low117 Ų117140.4 Ų140.476%0.7678%0.784SS**PPolyproline II helixtrans-67.9147.3-176.325.3-32000112.1K595P593-K595 PolarHBondContact O-N 3.01Å
594P44.7Very low42.9Very low125 Ų125142.1 Ų142.181%0.81280%0.795SS**PPolyproline II helixtrans-65.8133.6-174.624.1-31.8000112.1R596P594-R596 PolarHBondContact O-N 3.14Å
595K40.8Very low42.9Very low209 Ų209144.2 Ų144.291%0.90980%0.802SS**PPolyproline II helixtrans-63.8127.2176-76.1-178.5175.9178.70110.5P593P593-K595 PolarHBondContact O-N 3.01Å
596R39.8Very low42.9Very low231 Ų231145.5 Ų145.587%0.87281%0.811SS**PPolyproline II helixtrans-66.4146.5171.7-71.6-176.3179.4-171.3-0.2110.9P594P594-R596 PolarHBondContact O-N 3.14Å
597P41.8Very low42.8Very low107 Ų107149.6 Ų149.670%0.69583%0.826SS**PPolyproline II helixtrans-71.2132.817620.6-17.5000110.5W599P597-W599 PolarHBondContact O-N 3.21Å; P597-W599 VanDerWaalsContact O-N 3.1Å
598N39.4Very low42.7Very low167 Ų167147.9 Ų147.989%0.89383%0.827SS**  trans-63.2108.6171.4-92.6-6.4000109.2A600N598-A600 PolarHBondContact O-N 2.93Å
599W37.4Very low42.6Very low236 Ų236148.5 Ų148.589%0.89483%0.834SS**  trans-70118.2160.3-117.5-79.3000108.1P597P597-W599 PolarHBondContact O-N 3.21Å; P597-W599 VanDerWaalsContact O-N 3.1Å
600A48.4Very low42.8Very low92 Ų92147.8 Ų147.876%0.7684%0.838SS**  trans-81130.1155.300000108N598N598-A600 PolarHBondContact O-N 2.93Å
601A35.8Very low42.4Very low91 Ų91150.8 Ų150.875%0.75285%0.848SS**  trans169.8164146.200000110.6
602P50Low42.2Very low200 Ų200153.9 Ų153.9100%1.29986%0.856SS**  cis-110.30-23.41210000112.9

Retrieved 602 of 602 residues in 1216.1 ms (Link to these results)

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