A0A060XWW2_ONCMY Loading...

Cleavage and polyadenylation specificity factor subunit 2

AlphaFold DB , UniProt , Accession A0A060XWW2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110521087, Length 796 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
1M50.3Low84.5Confident234 Ų23435.5 Ų35.5100%1.15318%0.183SC*.  0139.10-76.7177.4-83.600106
2T66.9Low84.5Confident45 Ų4532.8 Ų32.828%0.27617%0.17SC..  trans-117131.4-177.529.40000108.2E167 E603T2-E167 VanDerWaalsContact CA-OE1 3.3Å; T2-E167 WeakPolarHBondContact CA-OE1 3.37Å; T2-E603 WeakPolarHBondContact CB-OE2 3.3Å; T2-E603 HydrophobicContact CG2-CG 3.93Å; T2-E603 VanDerWaalsContact CG2-OE2 3.27Å; T2-E603 WeakPolarHBondContact CG2-OE2 3.49Å; T2-E603 PolarHBondContact OG1-OE2 2.99Å
3S78.4Confident84.6Confident8 Ų831 Ų316%0.05616%0.162CC..  trans-76.5147.7-172.8-55.70000112.2I5 D26 E167S3-I5 PolarHBondContact O-N 2.9Å; S3-D26 WeakPolarHBondContact CA-OD1 3.42Å; S3-D26 VanDerWaalsContact CB-OD1 3.25Å; S3-D26 WeakPolarHBondContact CB-OD1 3.43Å; S3-E167 WeakPolarHBondContact CB-OE2 3.31Å; S3-E167 PolarHBondContact N-OE1 2.98Å; S3-E167 VanDerWaalsContact OG-CD 3.24Å; S3-E167 PolarHBondContact OG-OE2 3.02Å
4I86.4Confident84.2Confident29 Ų2934.5 Ų34.515%0.14918%0.177CC..  trans-80.5114.4170.8-62.2176.2000108.2K6 V25 D26 T601 I606 Q608I4-K6 HydrophobicContact CG2-CG 4.32Å; I4-V25 CarbonylContact O-C 3.54Å; I4-V25 WeakPolarHBondContact O-CA 3.09Å; I4-D26 PolarHBondContact N-OD1 2.93Å; I4-D26 PolarHBondContact O-N 2.99Å; I4-T601 HydrophobicContact CG2-CG2 4.47Å; I4-I606 HydrophobicContact CD1-CG2 4.21Å; I4-I606 HydrophobicContact CG1-CG2 3.91Å; I4-Q608 HydrophobicContact CD1-CB 4.34Å
5I90.9Very high84.1Confident8 Ų839.3 Ų39.34%0.04120%0.199CC..EExtended strand (participates in β ladder)trans-115.8104.7-178.9-53170.4000108.6S3 L23 Q24 I170 L197 A600S3-I5 PolarHBondContact O-N 2.9Å; I5-L23 HydrophobicContact CG2-CD1 3.98Å; I5-Q24 WeakPolarHBondContact CA-O 3.3Å; I5-I170 HydrophobicContact CD1-CD1 3.88Å; I5-I170 HydrophobicContact CD1-CG1 4.33Å; I5-I170 HydrophobicContact CG1-CD1 4.22Å; I5-I170 HydrophobicContact CG2-CD1 4.15Å; I5-L197 HydrophobicContact CG2-CD2 3.77Å; I5-A600 HydrophobicContact CB-CB 4.5Å; I5-A600 HydrophobicContact CG2-CB 4.16Å; I5-A600 CarbonylContact O-C 3.32Å; I5-A600 WeakPolarHBondContact O-CA 3.29Å; I5-A600 PolarHBondContact O-N 3.34Å
6K93.4Very high83.9Confident40 Ų4038.1 Ų38.117%0.17419%0.192CC..EExtended strand (participates in β ladder)trans-119136.3174.5-69.2-167.6178-163.70109.9I4 Q24 T597 V598 D599 D709I4-K6 HydrophobicContact CG2-CG 4.32Å; K6-Q24 HydrophobicContact CB-CB 4.42Å; K6-Q24 PolarHBondContact N-O 3.23Å; K6-Q24 VanDerWaalsContact N-O 3.11Å; K6-Q24 PolarHBondContact O-N 2.82Å; K6-T597 HydrophobicContact CB-CG2 4.01Å; K6-T597 HydrophobicContact CD-CG2 4.15Å; K6-T597 HydrophobicContact CG-CG2 4.48Å; K6-V598 WeakPolarHBondContact CA-O 3.44Å; K6-D599 WeakPolarHBondContact CE-OD2 3.24Å; K6-D599 HydrophobicContact CG-CB 4.45Å; K6-D709 IonicContact NZ-OD1 2.73Å; K6-D709 PolarHBondContact NZ-OD1 3.21Å; K6-D709 IonicContact NZ-OD2 3.62Å; K6-D709 PolarHBondContact NZ-OD2 2.99Å
7L95Very high83.8Confident3 Ų336.6 Ų36.62%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-119116.6174.5-17477.6000110.3L22 L23 L32 I199 V564 T597 V598L7-L22 WeakPolarHBondContact CA-O 3.49Å; L7-L23 HydrophobicContact CB-CD1 4.5Å; L7-L23 HydrophobicContact CD1-CB 3.79Å; L7-L23 HydrophobicContact CD1-CD1 4.06Å; L7-L32 HydrophobicContact CD1-CD1 4.33Å; L7-I199 HydrophobicContact CD1-CD1 3.87Å; L7-I199 HydrophobicContact CD2-CD1 3.89Å; L7-I199 HydrophobicContact CD2-CG1 4.2Å; L7-I199 HydrophobicContact CD2-CG2 4.32Å; L7-I199 HydrophobicContact CG-CD1 4.48Å; L7-V564 HydrophobicContact CD2-CB 4.38Å; L7-V564 HydrophobicContact CD2-CG1 3.87Å; L7-T597 CarbonylContact O-C 3.53Å; L7-T597 WeakPolarHBondContact O-CA 3.46Å; L7-V598 PolarHBondContact N-O 3.09Å; L7-V598 PolarHBondContact O-N 3.33Å
8T94.6Very high84Confident13 Ų1334.7 Ų34.78%0.0818%0.176CC..EExtended strand (participates in β ladder)trans-98.2127.1172-50.40000110.4V10 L22 E596 T597T8-V10 PolarHBondContact O-N 3.2Å; T8-L22 PolarHBondContact N-O 3.49Å; T8-L22 PolarHBondContact O-N 2.88Å; T8-E596 WeakPolarHBondContact CA-O 3.38Å; T8-T597 WeakPolarHBondContact CB-OG1 3.35Å; T8-T597 WeakPolarHBondContact CG2-OG1 3.43Å; T8-T597 WeakPolarHBondContact OG1-CG2 3.27Å; T8-T597 PolarHBondContact OG1-OG1 3.47Å
9A92.8Very high84.4Confident2 Ų232.9 Ų32.92%0.01717%0.167CC..EExtended strand (participates in β ladder)trans-80.8107.4174.300000110.9V13 P592 K593 Q595 E596A9-V13 HydrophobicContact CB-CB 4.31Å; A9-V13 HydrophobicContact CB-CG2 3.65Å; A9-P592 HydrophobicContact CB-CB 4.35Å; A9-K593 WeakPolarHBondContact CB-O 3.26Å; A9-Q595 WeakPolarHBondContact O-CA 3.43Å; A9-Q595 PolarHBondContact O-N 3.28Å; A9-E596 PolarHBondContact N-O 3.34Å
10V90.5Very high84.9Confident4 Ų431.3 Ų31.32%0.02416%0.159CC..EExtended strand (participates in β ladder)trans-84.8-43.1179.6-1710000110.5T8 C20 L22 M48 Y51 L594T8-V10 PolarHBondContact O-N 3.2Å; V10-C20 WeakPolarHBondContact CA-O 3.45Å; V10-C20 HydrophobicContact CB-CB 4.15Å; V10-C20 WeakPolarHBondContact CB-O 3.48Å; V10-C20 PolarHBondContact N-O 3.03Å; V10-L22 HydrophobicContact CG2-CB 4.33Å; V10-M48 HydrophobicContact CG1-CB 4.38Å; V10-Y51 HydrophobicContact CG2-CD2 4.42Å; V10-L594 WeakPolarHBondContact O-CD1 3.25Å
11S90.4Very high85.4Confident4 Ų429.8 Ų29.83%0.02815%0.151CC..EExtended strand (participates in β ladder)trans-150.6-179.9172.867.40000111.2A18 C20 Y21S11-A18 CarbonylContact C-O 3.47Å; S11-A18 WeakPolarHBondContact CB-O 3.4Å; S11-A18 PolarHBondContact OG-O 3.5Å; S11-C20 PolarHBondContact N-O 3.19Å; S11-C20 VanDerWaalsContact OG-CB 3.29Å; S11-C20 WeakPolarHBondContact OG-CB 3.26Å; S11-C20 PolarHBondContact OG-N 2.82Å; S11-Y21 WeakPolarHBondContact O-CE1 3.4Å
12G83.9Confident87.6Confident3 Ų318.9 Ų18.93%0.03110%0.098CC..  trans70.838.1171.600000114.8S17 A18 Y21 H567G12-S17 WeakPolarHBondContact CA-O 3.32Å; G12-A18 VanDerWaalsContact CA-O 3.27Å; G12-A18 WeakPolarHBondContact CA-O 3.48Å; G12-A18 PolarHBondContact N-O 3.47Å; G12-A18 VanDerWaalsContact N-O 3.08Å; G12-Y21 PolarHBondContact O-OH 3.27Å; G12-H567 WeakPolarHBondContact O-CA 3.34Å; G12-H567 PolarHBondContact O-N 2.88Å
13V86Confident88.9Confident10 Ų1016.7 Ų16.76%0.0618%0.084CC..SBendtrans-136.6130.7-176.6171.30000110.9A9 E15 Y21 V566 P592A9-V13 HydrophobicContact CB-CB 4.31Å; A9-V13 HydrophobicContact CB-CG2 3.65Å; V13-E15 PolarHBondContact O-N 3.39Å; V13-Y21 HydrophobicContact CG2-CE1 3.73Å; V13-V566 HydrophobicContact CG2-CB 4.3Å; V13-V566 HydrophobicContact CG2-CG1 4.38Å; V13-P592 HydrophobicContact CG1-CB 4.46Å; V13-P592 HydrophobicContact CG1-CG 4.25Å; V13-P592 WeakPolarHBondContact CG1-O 3.43Å
14Q78.9Confident89.7Confident80 Ų8018.1 Ų18.137%0.3749%0.09SC..SBendtrans58.918.3-172.2-59.6175.221.100113.7G568 P570 P592 K593Q14-G568 CarbonylContact C-O 3.37Å; Q14-G568 WeakPolarHBondContact CA-O 3.39Å; Q14-P570 HydrophobicContact CB-CB 4.44Å; Q14-P592 PolarHBondContact NE2-O 3.14Å; Q14-K593 VanDerWaalsContact NE2-CG 3.32Å
15E82.4Confident90Very high107 Ų10716.8 Ų16.850%0.58%0.083SC..SBendtrans-148.2157178.1-167.9175.2-142.200108.9V13 S17 G568V13-E15 PolarHBondContact O-N 3.39Å; E15-S17 PolarHBondContact O-N 2.84Å; E15-S17 WeakPolarHBondContact OE2-CB 3.41Å; E15-G568 PolarHBondContact N-O 2.67Å; E15-G568 VanDerWaalsContact N-O 3.15Å; E15-G568 PolarHBondContact O-N 3.37Å
16E81.9Confident89.8Confident20 Ų2018.5 Ų18.59%0.0939%0.092CC..SBendtrans-79.118.1172.2-67.3-173.7-144.100113F203 T360 P361 R366E16-F203 HydrophobicContact CB-CD2 4.28Å; E16-F203 HydrophobicContact CB-CE2 3.86Å; E16-F203 HydrophobicContact CG-CD2 3.87Å; E16-F203 HydrophobicContact CG-CE2 3.63Å; E16-F203 WeakPolarHBondContact OE2-CE2 3.28Å; E16-T360 WeakPolarHBondContact O-CG2 3.05Å; E16-P361 HydrophobicContact CB-CG 4.25Å; E16-R366 IonicContact OE1-CZ 3.7Å; E16-R366 IonicContact OE1-NH1 2.68Å; E16-R366 IonicContact OE1-NH2 3.21Å; E16-R366 PolarHBondContact OE1-NH2 2.7Å; E16-R366 IonicContact OE2-CZ 2.69Å; E16-R366 IonicContact OE2-NH1 3.56Å; E16-R366 PolarHBondContact OE2-NH1 3.12Å; E16-R366 IonicContact OE2-NH2 3.33Å; E16-R366 PolarHBondContact OE2-NH2 3.34Å; E16-R366 VanDerWaalsContact OE2-NH2 3.14Å
17S82Confident89.6Confident13 Ų1323.2 Ų23.29%0.09112%0.115CC..PPolyproline II helixtrans-86.9171.2-174.9-171.60000113.9G12 E15 H567G12-S17 WeakPolarHBondContact CA-O 3.32Å; E15-S17 PolarHBondContact O-N 2.84Å; E15-S17 WeakPolarHBondContact OE2-CB 3.41Å; S17-H567 PolarHBondContact O-CE1 2.87Å; S17-H567 VanDerWaalsContact O-CE1 3.32Å; S17-H567 PolarHBondContact O-ND1 3.46Å
18A87.3Confident89.5Confident1 Ų123.6 Ų23.61%0.00812%0.117CC..PPolyproline II helixtrans-63.4151.8-16900000114.8S11 G12 D37 I44 L66S11-A18 CarbonylContact C-O 3.47Å; S11-A18 WeakPolarHBondContact CB-O 3.4Å; S11-A18 PolarHBondContact OG-O 3.5Å; G12-A18 VanDerWaalsContact CA-O 3.27Å; G12-A18 WeakPolarHBondContact CA-O 3.48Å; G12-A18 PolarHBondContact N-O 3.47Å; G12-A18 VanDerWaalsContact N-O 3.08Å; A18-D37 HydrophobicContact CB-CB 4.38Å; A18-I44 HydrophobicContact CB-CD1 4.32Å; A18-L66 HydrophobicContact CB-CD2 4Å
19L91.6Very high89.5Confident1 Ų125.5 Ų25.51%0.00512%0.122CC..PPolyproline II helixtrans-96.7124.4-160.3-60164.8000112.2Y21 D33 C34 G35 L66 H67 V174 H567L19-Y21 HydrophobicContact CB-CE2 4.11Å; L19-Y21 HydrophobicContact CD2-CE2 4.01Å; L19-Y21 WeakPolarHBondContact CD2-OH 3.33Å; L19-D33 HydrophobicContact CB-CB 4.22Å; L19-D33 CarbonylContact O-C 3.53Å; L19-C34 PolarHBondContact O-N 2.67Å; L19-G35 PolarHBondContact O-N 3.36Å; L19-L66 WeakPolarHBondContact CB-O 3.21Å; L19-L66 PolarHBondContact N-O 3.12Å; L19-H67 WeakPolarHBondContact CD1-CD2 3.46Å; L19-H67 WeakPolarHBondContact CD1-NE2 3.35Å; L19-V174 HydrophobicContact CD1-CG2 4.43Å; L19-H567 HydrophobicContact CD2-CB 3.63Å
20C94.4Very high89.7Confident0 Ų025.4 Ų25.40%012%0.122CC..EExtended strand (participates in β ladder)trans-156.4121.4170.3-168.70000111.1V10 S11 D33V10-C20 WeakPolarHBondContact CA-O 3.45Å; V10-C20 HydrophobicContact CB-CB 4.15Å; V10-C20 WeakPolarHBondContact CB-O 3.48Å; V10-C20 PolarHBondContact N-O 3.03Å; S11-C20 PolarHBondContact N-O 3.19Å; S11-C20 VanDerWaalsContact OG-CB 3.29Å; S11-C20 WeakPolarHBondContact OG-CB 3.26Å; S11-C20 PolarHBondContact OG-N 2.82Å; C20-D33 PolarHBondContact SG-O 3.12Å
21Y95.5Very high90Very high0 Ų025.3 Ų25.30%012%0.121CC..EExtended strand (participates in β ladder)trans-133.3142.8-179.4-44.9-81.3000111.4S11 G12 V13 L19 L31 L32 Y172 V566S11-Y21 WeakPolarHBondContact O-CE1 3.4Å; G12-Y21 PolarHBondContact O-OH 3.27Å; V13-Y21 HydrophobicContact CG2-CE1 3.73Å; L19-Y21 HydrophobicContact CB-CE2 4.11Å; L19-Y21 HydrophobicContact CD2-CE2 4.01Å; L19-Y21 WeakPolarHBondContact CD2-OH 3.33Å; Y21-L31 CarbonylContact O-C 3.4Å; Y21-L32 HydrophobicContact CD2-CB 4.47Å; Y21-L32 PolarHBondContact N-O 3.2Å; Y21-L32 PolarHBondContact O-N 3.3Å; Y21-Y172 AromaticContact CD2-CE2 3.72Å; Y21-Y172 HydrophobicContact CD2-CE2 3.72Å; Y21-Y172 AromaticContact CE2-CE2 3.95Å; Y21-Y172 HydrophobicContact CE2-CE2 3.95Å; Y21-Y172 WeakPolarHBondContact CE2-OH 3.27Å; Y21-V566 HydrophobicContact CD1-CG1 4.11Å; Y21-V566 HydrophobicContact CE1-CB 3.64Å; Y21-V566 HydrophobicContact CE1-CG1 3.61Å; Y21-V566 HydrophobicContact CE1-CG2 4.11Å; Y21-V566 HydrophobicContact CE2-CG2 4.21Å; Y21-V566 WeakPolarHBondContact OH-CB 3.33Å; Y21-V566 WeakPolarHBondContact OH-CG2 3.27Å
22L95.9Very high90.3Very high5 Ų525.1 Ų25.13%0.02612%0.12CC..EExtended strand (participates in β ladder)trans-105.1106.5173.9-172.173000109.3L7 T8 V10 R29 L31 Y51 V55L7-L22 WeakPolarHBondContact CA-O 3.49Å; T8-L22 PolarHBondContact N-O 3.49Å; T8-L22 PolarHBondContact O-N 2.88Å; V10-L22 HydrophobicContact CG2-CB 4.33Å; L22-R29 HydrophobicContact CD1-CB 4.12Å; L22-L31 HydrophobicContact CD1-CD1 4.24Å; L22-Y51 HydrophobicContact CD2-CD1 3.55Å; L22-Y51 HydrophobicContact CD2-CE1 4.11Å; L22-Y51 HydrophobicContact CD2-CG 3.86Å; L22-V55 HydrophobicContact CD1-CG2 3.85Å
23L95.7Very high90.9Very high0 Ų025 Ų250%012%0.118CC..EExtended strand (participates in β ladder)trans-96.9110.6174.1176.169.2000109.5I5 L7 V25 F30 L32 I162 I170I5-L23 HydrophobicContact CG2-CD1 3.98Å; L7-L23 HydrophobicContact CB-CD1 4.5Å; L7-L23 HydrophobicContact CD1-CB 3.79Å; L7-L23 HydrophobicContact CD1-CD1 4.06Å; L23-V25 HydrophobicContact CD1-CG2 4.48Å; L23-V25 HydrophobicContact CD2-CG2 4.22Å; L23-V25 HydrophobicContact CG-CG2 4.05Å; L23-F30 HydrophobicContact CB-CB 4.35Å; L23-F30 HydrophobicContact CD2-CD2 4.4Å; L23-F30 PolarHBondContact N-O 2.93Å; L23-F30 PolarHBondContact O-N 3.37Å; L23-L32 HydrophobicContact CB-CD1 3.73Å; L23-L32 HydrophobicContact CB-CG 4.04Å; L23-L32 HydrophobicContact CD2-CD1 4.06Å; L23-L32 HydrophobicContact CG-CD1 4.49Å; L23-I162 HydrophobicContact CD2-CD1 3.68Å; L23-I170 HydrophobicContact CD2-CG2 4.13Å
24Q94.4Very high91.2Very high38 Ų3824.5 Ų24.518%0.17812%0.115CC..EExtended strand (participates in β ladder)trans-89.1129.3169178.4173.4-20.100109.8I5 K6 D26 F28 R29I5-Q24 WeakPolarHBondContact CA-O 3.3Å; K6-Q24 HydrophobicContact CB-CB 4.42Å; K6-Q24 PolarHBondContact N-O 3.23Å; K6-Q24 VanDerWaalsContact N-O 3.11Å; K6-Q24 PolarHBondContact O-N 2.82Å; Q24-D26 VanDerWaalsContact CG-O 3.23Å; Q24-D26 WeakPolarHBondContact CG-O 3.39Å; Q24-D26 PolarHBondContact NE2-O 3.4Å; Q24-F28 WeakPolarHBondContact CA-O 3.39Å; Q24-R29 HydrophobicContact CB-CG 4.2Å; Q24-R29 HydrophobicContact CG-CG 4.2Å
25V91.9Very high91.9Very high1 Ų120.7 Ų20.71%0.00610%0.097CC..EExtended strand (participates in β ladder)trans-125.9109.9168.7-169.80000107.9I4 L23 E27 F28 F30 L144 I170I4-V25 CarbonylContact O-C 3.54Å; I4-V25 WeakPolarHBondContact O-CA 3.09Å; L23-V25 HydrophobicContact CD1-CG2 4.48Å; L23-V25 HydrophobicContact CD2-CG2 4.22Å; L23-V25 HydrophobicContact CG-CG2 4.05Å; V25-E27 PolarHBondContact O-N 2.92Å; V25-F28 PolarHBondContact N-O 3.07Å; V25-F28 WeakPolarHBondContact O-CB 3.32Å; V25-F28 PolarHBondContact O-N 3.45Å; V25-F30 HydrophobicContact CG2-CD2 4.36Å; V25-F30 HydrophobicContact CG2-CE2 4.22Å; V25-L144 HydrophobicContact CB-CD1 4.45Å; V25-L144 HydrophobicContact CB-CD2 4.38Å; V25-L144 HydrophobicContact CG1-CD2 3.91Å; V25-I170 HydrophobicContact CG2-CD1 3.93Å
26D88.3Confident92.3Very high43 Ų4315.7 Ų15.723%0.237%0.074CC..THydrogen-bonded Turntrans54.7-115.6-165-57.1-40000112.2S3 I4 Q24 K164S3-D26 WeakPolarHBondContact CA-OD1 3.42Å; S3-D26 VanDerWaalsContact CB-OD1 3.25Å; S3-D26 WeakPolarHBondContact CB-OD1 3.43Å; I4-D26 PolarHBondContact N-OD1 2.93Å; I4-D26 PolarHBondContact O-N 2.99Å; Q24-D26 VanDerWaalsContact CG-O 3.23Å; Q24-D26 WeakPolarHBondContact CG-O 3.39Å; Q24-D26 PolarHBondContact NE2-O 3.4Å; D26-K164 WeakPolarHBondContact OD2-CE 3.42Å; D26-K164 IonicContact OD2-NZ 3.29Å; D26-K164 PolarHBondContact OD2-NZ 3.33Å
27E88.1Confident92.6Very high139 Ų13915.1 Ų15.165%0.657%0.072SC*.THydrogen-bonded Turntrans-93.6-12.1176-57.6-170.1152.500112.8V25V25-E27 PolarHBondContact O-N 2.92Å
28F93.4Very high92.8Very high12 Ų1215.7 Ų15.75%0.0537%0.073CC..EExtended strand (participates in β ladder)trans-88.5135.9-174.8-169.1-86.9000110.9Q24 V25 F30 D56 A57 L137 K140 G141 L144Q24-F28 WeakPolarHBondContact CA-O 3.39Å; V25-F28 PolarHBondContact N-O 3.07Å; V25-F28 WeakPolarHBondContact O-CB 3.32Å; V25-F28 PolarHBondContact O-N 3.45Å; F28-F30 HydrophobicContact CD1-CD1 4.45Å; F28-F30 AromaticContact CD1-CD2 3.94Å; F28-F30 HydrophobicContact CD1-CD2 3.94Å; F28-F30 HydrophobicContact CD1-CE1 4.22Å; F28-F30 AromaticContact CD1-CE2 3.66Å; F28-F30 HydrophobicContact CD1-CE2 3.66Å; F28-F30 HydrophobicContact CD1-CG 4.33Å; F28-F30 AromaticContact CD1-CZ 3.83Å; F28-F30 HydrophobicContact CD1-CZ 3.83Å; F28-F30 AromaticContact CE1-CD1 3.82Å; F28-F30 HydrophobicContact CE1-CD1 3.82Å; F28-F30 HydrophobicContact CE1-CD2 4.13Å; F28-F30 AromaticContact CE1-CE1 3.58Å; F28-F30 HydrophobicContact CE1-CE1 3.58Å; F28-F30 AromaticContact CE1-CE2 3.9Å; F28-F30 HydrophobicContact CE1-CE2 3.9Å; F28-F30 HydrophobicContact CE1-CG 4.1Å; F28-F30 AromaticContact CE1-CZ 3.63Å; F28-F30 HydrophobicContact CE1-CZ 3.63Å; F28-D56 WeakPolarHBondContact CA-OD2 3.48Å; F28-D56 HydrophobicContact CD1-CB 4.34Å; F28-D56 HydrophobicContact CD2-CB 3.63Å; F28-D56 HydrophobicContact CE1-CB 4.03Å; F28-D56 HydrophobicContact CE2-CB 3.31Å; F28-D56 HydrophobicContact CG-CB 4.16Å; F28-D56 HydrophobicContact CZ-CB 3.52Å; F28-A57 HydrophobicContact CE1-CB 4.02Å; F28-A57 HydrophobicContact CZ-CB 3.78Å; F28-L137 HydrophobicContact CE1-CD1 3.87Å; F28-L137 HydrophobicContact CE2-CD1 4.47Å; F28-L137 HydrophobicContact CZ-CD1 3.79Å; F28-K140 HydrophobicContact CD2-CB 4.09Å; F28-G141 VanDerWaalsContact CD2-N 3.33Å; F28-L144 HydrophobicContact CB-CD1 3.84Å; F28-L144 HydrophobicContact CD1-CD1 3.9Å; F28-L144 HydrophobicContact CG-CD1 3.89Å
29R95.3Very high92.6Very high52 Ų5220.1 Ų20.120%0.19610%0.104CC..EExtended strand (participates in β ladder)trans-121.1121.2179.8-51.5-162.7-167.4163.113.9113.6L22 Q24 Q54 D56 A57L22-R29 HydrophobicContact CD1-CB 4.12Å; Q24-R29 HydrophobicContact CB-CG 4.2Å; Q24-R29 HydrophobicContact CG-CG 4.2Å; R29-Q54 WeakPolarHBondContact CB-O 3.47Å; R29-Q54 WeakPolarHBondContact CD-O 3.43Å; R29-Q54 VanDerWaalsContact NH2-OE1 3.17Å; R29-D56 PolarHBondContact N-OD2 2.72Å; R29-D56 VanDerWaalsContact N-OD2 3.08Å; R29-D56 PolarHBondContact O-N 3.32Å; R29-A57 PolarHBondContact O-N 2.7Å
30F96.2Very high92.4Very high0 Ų020.9 Ų20.90%011%0.107CC..EExtended strand (participates in β ladder)trans-89.8132.1167.7-60.8-85.7000110.1L23 V25 F28 L32 A57 L59 L137 L144 I146 I162L23-F30 HydrophobicContact CB-CB 4.35Å; L23-F30 HydrophobicContact CD2-CD2 4.4Å; L23-F30 PolarHBondContact N-O 2.93Å; L23-F30 PolarHBondContact O-N 3.37Å; V25-F30 HydrophobicContact CG2-CD2 4.36Å; V25-F30 HydrophobicContact CG2-CE2 4.22Å; F28-F30 HydrophobicContact CD1-CD1 4.45Å; F28-F30 AromaticContact CD1-CD2 3.94Å; F28-F30 HydrophobicContact CD1-CD2 3.94Å; F28-F30 HydrophobicContact CD1-CE1 4.22Å; F28-F30 AromaticContact CD1-CE2 3.66Å; F28-F30 HydrophobicContact CD1-CE2 3.66Å; F28-F30 HydrophobicContact CD1-CG 4.33Å; F28-F30 AromaticContact CD1-CZ 3.83Å; F28-F30 HydrophobicContact CD1-CZ 3.83Å; F28-F30 AromaticContact CE1-CD1 3.82Å; F28-F30 HydrophobicContact CE1-CD1 3.82Å; F28-F30 HydrophobicContact CE1-CD2 4.13Å; F28-F30 AromaticContact CE1-CE1 3.58Å; F28-F30 HydrophobicContact CE1-CE1 3.58Å; F28-F30 AromaticContact CE1-CE2 3.9Å; F28-F30 HydrophobicContact CE1-CE2 3.9Å; F28-F30 HydrophobicContact CE1-CG 4.1Å; F28-F30 AromaticContact CE1-CZ 3.63Å; F28-F30 HydrophobicContact CE1-CZ 3.63Å; F30-L32 HydrophobicContact CB-CD2 3.91Å; F30-L32 HydrophobicContact CB-CG 4.5Å; F30-A57 CarbonylContact C-O 3.57Å; F30-A57 WeakPolarHBondContact CA-O 3.3Å; F30-A57 HydrophobicContact CD1-CB 4.33Å; F30-L59 HydrophobicContact CD1-CD1 3.8Å; F30-L59 HydrophobicContact CD1-CD2 4.2Å; F30-L59 HydrophobicContact CD1-CG 3.85Å; F30-L59 HydrophobicContact CE1-CD1 4.18Å; F30-L59 HydrophobicContact CE1-CD2 4.43Å; F30-L59 HydrophobicContact CE1-CG 4.46Å; F30-L59 HydrophobicContact CG-CD1 4.45Å; F30-L137 HydrophobicContact CE1-CD1 3.67Å; F30-L137 HydrophobicContact CZ-CD1 3.6Å; F30-L144 HydrophobicContact CE2-CD1 4.05Å; F30-L144 HydrophobicContact CZ-CD1 4.17Å; F30-I146 HydrophobicContact CE1-CG2 3.72Å; F30-I146 HydrophobicContact CZ-CG2 4Å; F30-I162 HydrophobicContact CD2-CD1 4.27Å; F30-I162 HydrophobicContact CE2-CD1 4.3Å; F30-I162 HydrophobicContact CE2-CG2 3.91Å; F30-I162 HydrophobicContact CG-CD1 4.43Å; F30-I162 HydrophobicContact CZ-CD1 4.48Å; F30-I162 HydrophobicContact CZ-CG2 3.91Å
31L96.6Very high92Very high2 Ų222.1 Ų22.11%0.0112%0.116CC..EExtended strand (participates in β ladder)trans-88.7113.4157.6-163.270.6000107.5Y21 L22 C34 V55 A57 V58 L59Y21-L31 CarbonylContact O-C 3.4Å; L22-L31 HydrophobicContact CD1-CD1 4.24Å; L31-C34 HydrophobicContact CD2-CB 4.07Å; L31-V55 HydrophobicContact CB-CG1 3.83Å; L31-V55 HydrophobicContact CB-CG2 4.14Å; L31-V55 HydrophobicContact CD1-CG2 4.31Å; L31-A57 PolarHBondContact N-O 2.86Å; L31-V58 HydrophobicContact CB-CG1 4.36Å; L31-V58 HydrophobicContact CB-CG2 4.18Å; L31-V58 HydrophobicContact CD2-CG2 4.29Å; L31-V58 CarbonylContact O-C 3.59Å; L31-V58 WeakPolarHBondContact O-CA 3.38Å; L31-L59 PolarHBondContact O-N 2.57Å
32L96.5Very high91.6Very high0 Ų025.6 Ų25.60%013%0.133CC..EExtended strand (participates in β ladder)trans-93.4108.1176.2-51.1178.8000107.8L7 Y21 L23 F30 L59 I162 Y172 I199L7-L32 HydrophobicContact CD1-CD1 4.33Å; Y21-L32 HydrophobicContact CD2-CB 4.47Å; Y21-L32 PolarHBondContact N-O 3.2Å; Y21-L32 PolarHBondContact O-N 3.3Å; L23-L32 HydrophobicContact CB-CD1 3.73Å; L23-L32 HydrophobicContact CB-CG 4.04Å; L23-L32 HydrophobicContact CD2-CD1 4.06Å; L23-L32 HydrophobicContact CG-CD1 4.49Å; F30-L32 HydrophobicContact CB-CD2 3.91Å; F30-L32 HydrophobicContact CB-CG 4.5Å; L32-L59 HydrophobicContact CD2-CB 4.11Å; L32-L59 HydrophobicContact CD2-CD1 3.75Å; L32-L59 HydrophobicContact CD2-CG 4.16Å; L32-I162 HydrophobicContact CD2-CD1 4.3Å; L32-Y172 HydrophobicContact CB-CD1 4.45Å; L32-Y172 HydrophobicContact CB-CD2 4.33Å; L32-Y172 HydrophobicContact CB-CE1 4.2Å; L32-Y172 HydrophobicContact CB-CE2 4.09Å; L32-Y172 HydrophobicContact CB-CG 4.5Å; L32-Y172 HydrophobicContact CD1-CD2 3.69Å; L32-Y172 HydrophobicContact CD1-CE2 4.19Å; L32-Y172 HydrophobicContact CD1-CG 3.91Å; L32-I199 HydrophobicContact CD1-CD1 4.08Å
33D96.1Very high91.2Very high0 Ų031.4 Ų31.40%016%0.164CC..  trans56.5158.5-170-66.2-51.6000115.2L19 C20 L59 L60 S61 H67 Y172L19-D33 HydrophobicContact CB-CB 4.22Å; L19-D33 CarbonylContact O-C 3.53Å; C20-D33 PolarHBondContact SG-O 3.12Å; D33-L59 PolarHBondContact N-O 3.32Å; D33-L60 WeakPolarHBondContact OD1-CA 3.13Å; D33-S61 VanDerWaalsContact CG-OG 3.25Å; D33-S61 PolarHBondContact OD1-N 2.91Å; D33-S61 PolarHBondContact OD1-OG 3.34Å; D33-S61 VanDerWaalsContact OD1-OG 3.11Å; D33-S61 WeakPolarHBondContact OD2-CB 3.23Å; D33-S61 PolarHBondContact OD2-OG 2.74Å; D33-H67 WeakPolarHBondContact CB-O 3.35Å; D33-H67 IonicContact OD2-CD2 3.35Å; D33-Y172 WeakPolarHBondContact OD2-CE1 3.49Å; D33-Y172 PolarHBondContact OD2-OH 2.78Å
34C92.8Very high90.7Very high0 Ų031.8 Ų31.80%017%0.166CC..  trans-149.360178.151.80000108.9L19 L31 M48 H67 L68 G69 A70L19-C34 PolarHBondContact O-N 2.67Å; L31-C34 HydrophobicContact CD2-CB 4.07Å; C34-M48 HydrophobicContact CB-CE 3.82Å; C34-H67 CarbonylContact C-O 3.52Å; C34-H67 VanDerWaalsContact C-O 3.32Å; C34-H67 PolarHBondContact N-O 3.42Å; C34-L68 CarbonylContact O-C 3.54Å; C34-L68 VanDerWaalsContact O-C 3.26Å; C34-L68 WeakPolarHBondContact O-CA 3.18Å; C34-G69 PolarHBondContact O-N 3.16Å; C34-A70 WeakPolarHBondContact O-CB 3.49Å; C34-A70 PolarHBondContact O-N 2.82Å
35G92.9Very high90.4Very high0 Ų030.2 Ų30.20%016%0.159CC..  trans-66.5163176.700000113.5L19 P65 L66 H67 A70L19-G35 PolarHBondContact O-N 3.36Å; G35-P65 CarbonylContact C-O 3.56Å; G35-P65 VanDerWaalsContact CA-O 3.26Å; G35-P65 WeakPolarHBondContact CA-O 3.31Å; G35-L66 WeakPolarHBondContact CA-O 3.48Å; G35-H67 PolarHBondContact N-O 3.33Å; G35-A70 WeakPolarHBondContact O-CB 3.32Å
36W92.1Very high90.2Very high2 Ų234.2 Ų34.21%0.00818%0.18CC..  trans-132.4142.5164.1-142.8-15.6000108.5F40 S41 M42 I45 P65 A70 Y73 L113 F114W36-F40 AromaticContact CD2-CD1 3.51Å; W36-F40 HydrophobicContact CD2-CD1 3.51Å; W36-F40 HydrophobicContact CD2-CE1 4.08Å; W36-F40 HydrophobicContact CD2-CG 4.41Å; W36-F40 AromaticContact CE2-CD1 3.82Å; W36-F40 AromaticContact CE3-CD1 3.49Å; W36-F40 HydrophobicContact CE3-CD1 3.49Å; W36-F40 VanDerWaalsContact CE3-CD1 3.49Å; W36-F40 AromaticContact CE3-CE1 3.76Å; W36-F40 HydrophobicContact CE3-CE1 3.76Å; W36-F40 HydrophobicContact CG-CD1 4.05Å; W36-F40 HydrophobicContact CG-CE1 4.49Å; W36-F40 HydrophobicContact CH2-CD1 4.11Å; W36-F40 HydrophobicContact CZ2-CB 4.24Å; W36-F40 HydrophobicContact CZ2-CD1 4.11Å; W36-F40 AromaticContact CZ3-CD1 3.8Å; W36-F40 HydrophobicContact CZ3-CD1 3.8Å; W36-F40 HydrophobicContact CZ3-CE1 4.23Å; W36-F40 VanDerWaalsContact NE1-C 3.35Å; W36-S41 PolarHBondContact NE1-O 2.89Å; W36-M42 HydrophobicContact CH2-CE 4.1Å; W36-M42 HydrophobicContact CZ2-CE 3.65Å; W36-M42 HydrophobicContact CZ2-SD 4.13Å; W36-I45 HydrophobicContact CD2-CD1 4.23Å; W36-I45 HydrophobicContact CH2-CD1 4.2Å; W36-I45 HydrophobicContact CH2-CG1 4.14Å; W36-I45 HydrophobicContact CZ2-CD1 3.87Å; W36-I45 HydrophobicContact CZ2-CG1 3.47Å; W36-I45 VanDerWaalsContact CZ2-CG1 3.47Å; W36-P65 PolarHBondContact N-O 3.14Å; W36-A70 HydrophobicContact CB-CB 4.16Å; W36-A70 HydrophobicContact CD2-CB 4.32Å; W36-A70 HydrophobicContact CE3-CB 4.29Å; W36-A70 HydrophobicContact CG-CB 4.3Å; W36-Y73 AromaticContact CH2-CD2 3.79Å; W36-Y73 HydrophobicContact CH2-CD2 3.79Å; W36-Y73 HydrophobicContact CH2-CE2 4.34Å; W36-Y73 AromaticContact CH2-CG 3.96Å; W36-Y73 HydrophobicContact CH2-CG 3.96Å; W36-Y73 HydrophobicContact CZ3-CD2 4.06Å; W36-Y73 HydrophobicContact CZ3-CG 4.02Å; W36-L113 HydrophobicContact CH2-CB 4.24Å; W36-L113 HydrophobicContact CH2-CD1 3.92Å; W36-L113 HydrophobicContact CZ2-CD1 4.3Å; W36-L113 HydrophobicContact CZ3-CB 4.49Å; W36-L113 HydrophobicContact CZ3-CD1 4.44Å; W36-F114 HydrophobicContact CZ3-CD1 4.29Å
37D87.9Confident90.1Very high9 Ų932.7 Ų32.75%0.04817%0.173CC..  trans-73.7159.7176.564.7-76.3000111.8A18 S39 F40 S41A18-D37 HydrophobicContact CB-CB 4.38Å; D37-S39 PolarHBondContact O-N 3.3Å; D37-S39 VanDerWaalsContact O-N 3.1Å; D37-S39 VanDerWaalsContact OD2-CA 3.29Å; D37-S39 WeakPolarHBondContact OD2-CA 3.43Å; D37-S39 VanDerWaalsContact OD2-CB 3.27Å; D37-S39 WeakPolarHBondContact OD2-CB 3.42Å; D37-S39 PolarHBondContact OD2-N 3.24Å; D37-S39 PolarHBondContact OD2-OG 3.1Å; D37-F40 PolarHBondContact O-N 3.33Å; D37-F40 PolarHBondContact OD2-N 2.97Å; D37-S41 VanDerWaalsContact OD1-CB 3.28Å; D37-S41 WeakPolarHBondContact OD1-CB 3.16Å; D37-S41 PolarHBondContact OD1-N 2.92Å; D37-S41 PolarHBondContact OD1-OG 3.49Å; D37-S41 PolarHBondContact OD2-N 3.3Å
38E85.7Confident90.1Very high24 Ų2426.2 Ų26.211%0.11214%0.143CC..THydrogen-bonded Turntrans-64.3-14.9-178.4-57.795.6130.200113.4R105 D332 T359 T360 T363E38-R105 PolarHBondContact O-NH2 2.94Å; E38-D332 HydrophobicContact CG-CB 4.18Å; E38-T359 VanDerWaalsContact OE1-CB 3.27Å; E38-T359 WeakPolarHBondContact OE1-CB 3.23Å; E38-T360 PolarHBondContact OE1-N 3.21Å; E38-T360 PolarHBondContact OE1-OG1 3.27Å; E38-T360 WeakPolarHBondContact OE2-CB 3.39Å; E38-T360 WeakPolarHBondContact OE2-CG2 3.4Å; E38-T360 PolarHBondContact OE2-OG1 3.35Å; E38-T363 HydrophobicContact CB-CG2 3.99Å; E38-T363 HydrophobicContact CG-CG2 4.42Å
39S84.2Confident89.9Confident95 Ų9531 Ų3166%0.66416%0.163SC*.THydrogen-bonded Turntrans-90.8-9.6173.587.90000114D37D37-S39 PolarHBondContact O-N 3.3Å; D37-S39 VanDerWaalsContact O-N 3.1Å; D37-S39 VanDerWaalsContact OD2-CA 3.29Å; D37-S39 WeakPolarHBondContact OD2-CA 3.43Å; D37-S39 VanDerWaalsContact OD2-CB 3.27Å; D37-S39 WeakPolarHBondContact OD2-CB 3.42Å; D37-S39 PolarHBondContact OD2-N 3.24Å; D37-S39 PolarHBondContact OD2-OG 3.1Å
40F86.9Confident89.5Confident16 Ų1635.5 Ų35.57%0.0718%0.18CC..  trans59.250-174.6-67.4-96.1000113.5W36 D37 M42 L101 R105 F111 L113 F114W36-F40 AromaticContact CD2-CD1 3.51Å; W36-F40 HydrophobicContact CD2-CD1 3.51Å; W36-F40 HydrophobicContact CD2-CE1 4.08Å; W36-F40 HydrophobicContact CD2-CG 4.41Å; W36-F40 AromaticContact CE2-CD1 3.82Å; W36-F40 AromaticContact CE3-CD1 3.49Å; W36-F40 HydrophobicContact CE3-CD1 3.49Å; W36-F40 VanDerWaalsContact CE3-CD1 3.49Å; W36-F40 AromaticContact CE3-CE1 3.76Å; W36-F40 HydrophobicContact CE3-CE1 3.76Å; W36-F40 HydrophobicContact CG-CD1 4.05Å; W36-F40 HydrophobicContact CG-CE1 4.49Å; W36-F40 HydrophobicContact CH2-CD1 4.11Å; W36-F40 HydrophobicContact CZ2-CB 4.24Å; W36-F40 HydrophobicContact CZ2-CD1 4.11Å; W36-F40 AromaticContact CZ3-CD1 3.8Å; W36-F40 HydrophobicContact CZ3-CD1 3.8Å; W36-F40 HydrophobicContact CZ3-CE1 4.23Å; W36-F40 VanDerWaalsContact NE1-C 3.35Å; D37-F40 PolarHBondContact O-N 3.33Å; D37-F40 PolarHBondContact OD2-N 2.97Å; F40-M42 PolarHBondContact O-N 3.2Å; F40-L101 HydrophobicContact CE2-CD1 4.37Å; F40-L101 HydrophobicContact CZ-CD1 4.12Å; F40-L101 HydrophobicContact CZ-CD2 3.9Å; F40-L101 HydrophobicContact CZ-CG 4.07Å; F40-R105 VanDerWaalsContact CE2-NE 3.33Å; F40-F111 HydrophobicContact CD1-CE2 4.47Å; F40-F111 HydrophobicContact CD1-CZ 4.36Å; F40-F111 HydrophobicContact CE1-CE2 4.3Å; F40-F111 AromaticContact CE1-CZ 3.96Å; F40-F111 HydrophobicContact CE1-CZ 3.96Å; F40-F111 HydrophobicContact CE2-CE2 4.4Å; F40-F111 HydrophobicContact CZ-CE2 4.24Å; F40-F111 HydrophobicContact CZ-CZ 4.14Å; F40-L113 HydrophobicContact CB-CD1 3.6Å; F40-L113 HydrophobicContact CD1-CD1 3.56Å; F40-L113 HydrophobicContact CE1-CD1 4.46Å; F40-L113 HydrophobicContact CG-CD1 3.72Å; F40-F114 AromaticContact CE1-CE1 4Å; F40-F114 HydrophobicContact CE1-CE1 4Å
41S86.2Confident89.1Confident26 Ų2637.8 Ų37.818%0.18219%0.189CC..  trans-58.9133.117970.20000112.3W36 D37 D43W36-S41 PolarHBondContact NE1-O 2.89Å; D37-S41 VanDerWaalsContact OD1-CB 3.28Å; D37-S41 WeakPolarHBondContact OD1-CB 3.16Å; D37-S41 PolarHBondContact OD1-N 2.92Å; D37-S41 PolarHBondContact OD1-OG 3.49Å; D37-S41 PolarHBondContact OD2-N 3.3Å; S41-D43 VanDerWaalsContact C-N 3.3Å
42M87.2Confident88.7Confident74 Ų7438.1 Ų38.137%0.36519%0.192SC..Hα-helixtrans-80.3-14.4179-67.6-66.3151.900112.6W36 F40 I44 I45 D46 L113W36-M42 HydrophobicContact CH2-CE 4.1Å; W36-M42 HydrophobicContact CZ2-CE 3.65Å; W36-M42 HydrophobicContact CZ2-SD 4.13Å; F40-M42 PolarHBondContact O-N 3.2Å; M42-I44 VanDerWaalsContact C-N 3.32Å; M42-I44 PolarHBondContact O-N 2.76Å; M42-I45 WeakPolarHBondContact O-CA 3.23Å; M42-I45 WeakPolarHBondContact O-CB 3.31Å; M42-I45 PolarHBondContact O-N 2.89Å; M42-I45 HydrophobicContact SD-CB 4.48Å; M42-I45 HydrophobicContact SD-CG1 4.37Å; M42-D46 PolarHBondContact O-N 2.85Å; M42-L113 HydrophobicContact CE-CD1 4.16Å; M42-L113 HydrophobicContact CE-CD2 3.69Å
43D86.3Confident88.3Confident126 Ų12646 Ų4667%0.67423%0.228SC*.Hα-helixtrans-63.8-36.1-179.8-58-68000112.4S41 I45 S47S41-D43 VanDerWaalsContact C-N 3.3Å; D43-I45 VanDerWaalsContact C-N 3.34Å; D43-S47 WeakPolarHBondContact O-CB 3.46Å; D43-S47 PolarHBondContact O-N 3.18Å; D43-S47 PolarHBondContact O-OG 3.23Å
44I85.3Confident88.1Confident9 Ų949.7 Ų49.75%0.04625%0.245CC..Hα-helixtrans-62.8-43.8171.7-59.1178.8000110A18 M42 S47 M48A18-I44 HydrophobicContact CB-CD1 4.32Å; M42-I44 VanDerWaalsContact C-N 3.32Å; M42-I44 PolarHBondContact O-N 2.76Å; I44-S47 PolarHBondContact O-N 2.92Å; I44-M48 VanDerWaalsContact O-CB 3.31Å; I44-M48 WeakPolarHBondContact O-CB 3.24Å; I44-M48 PolarHBondContact O-N 3.48Å
45I87.9Confident88.1Confident4 Ų450.3 Ų50.32%0.02125%0.249CC..Hα-helixtrans-67.8-48.5-176.9-62-57.5000111.8W36 M42 D43 S47 M48 K49 A70 Y73 L78W36-I45 HydrophobicContact CD2-CD1 4.23Å; W36-I45 HydrophobicContact CH2-CD1 4.2Å; W36-I45 HydrophobicContact CH2-CG1 4.14Å; W36-I45 HydrophobicContact CZ2-CD1 3.87Å; W36-I45 HydrophobicContact CZ2-CG1 3.47Å; W36-I45 VanDerWaalsContact CZ2-CG1 3.47Å; M42-I45 WeakPolarHBondContact O-CA 3.23Å; M42-I45 WeakPolarHBondContact O-CB 3.31Å; M42-I45 PolarHBondContact O-N 2.89Å; M42-I45 HydrophobicContact SD-CB 4.48Å; M42-I45 HydrophobicContact SD-CG1 4.37Å; D43-I45 VanDerWaalsContact C-N 3.34Å; I45-S47 VanDerWaalsContact C-N 3.3Å; I45-S47 PolarHBondContact O-N 3.21Å; I45-M48 PolarHBondContact O-N 3.39Å; I45-K49 VanDerWaalsContact O-CB 3.25Å; I45-K49 WeakPolarHBondContact O-CB 3.39Å; I45-K49 PolarHBondContact O-N 3.47Å; I45-A70 HydrophobicContact CD1-CB 3.91Å; I45-Y73 HydrophobicContact CD1-CD1 4.03Å; I45-Y73 HydrophobicContact CG2-CD1 3.9Å; I45-Y73 HydrophobicContact CG2-CE1 3.42Å; I45-Y73 VanDerWaalsContact CG2-CE1 3.42Å; I45-L78 HydrophobicContact CG2-CD1 4.33Å; I45-L78 HydrophobicContact CG2-CD2 4.39Å
46D88.3Confident88.2Confident86 Ų8651.9 Ų51.946%0.4626%0.257SS..Hα-helixtrans-71.2-24.2177.5-87.6-34000112.6M42 K49M42-D46 PolarHBondContact O-N 2.85Å; D46-K49 WeakPolarHBondContact OD1-CD 3.41Å; D46-K49 IonicContact OD1-NZ 3.79Å; D46-K49 PolarHBondContact OD1-NZ 2.59Å
47S86.9Confident88.4Confident10 Ų1051.8 Ų51.87%0.0726%0.257CS..Hα-helixtrans-68.8-50.2167.4-60.80000111.3D43 I44 I45 K49 R50 Y51 Q595D43-S47 WeakPolarHBondContact O-CB 3.46Å; D43-S47 PolarHBondContact O-N 3.18Å; D43-S47 PolarHBondContact O-OG 3.23Å; I44-S47 PolarHBondContact O-N 2.92Å; I45-S47 VanDerWaalsContact C-N 3.3Å; I45-S47 PolarHBondContact O-N 3.21Å; S47-K49 PolarHBondContact O-N 3.1Å; S47-R50 PolarHBondContact O-N 2.9Å; S47-Y51 WeakPolarHBondContact O-CD2 3.44Å; S47-Q595 PolarHBondContact OG-NE2 2.89Å
48M87.3Confident88.8Confident3 Ų351.3 Ų51.32%0.01526%0.255CS..Hα-helixtrans-61-42179.5-174.6-169.8-67.800112.1V10 C34 I44 I45 R50 Y51 V52 A70 A74 L78V10-M48 HydrophobicContact CG1-CB 4.38Å; C34-M48 HydrophobicContact CB-CE 3.82Å; I44-M48 VanDerWaalsContact O-CB 3.31Å; I44-M48 WeakPolarHBondContact O-CB 3.24Å; I44-M48 PolarHBondContact O-N 3.48Å; I45-M48 PolarHBondContact O-N 3.39Å; M48-R50 PolarHBondContact O-N 2.79Å; M48-R50 VanDerWaalsContact O-N 3.09Å; M48-Y51 WeakPolarHBondContact O-CA 3.25Å; M48-Y51 PolarHBondContact O-N 3.41Å; M48-V52 HydrophobicContact CG-CG2 4.08Å; M48-V52 PolarHBondContact O-N 3.06Å; M48-V52 VanDerWaalsContact O-N 3.13Å; M48-A70 HydrophobicContact CE-CB 4.06Å; M48-A74 HydrophobicContact SD-CB 3.9Å; M48-L78 HydrophobicContact SD-CD1 4.24Å
49K88.8Confident89.4Confident112 Ų11250.2 Ų50.249%0.48725%0.249SC..Hα-helixtrans-52.7-30.7-178.8-178.5176.6175-175.30114.3I45 D46 S47 Y51 L78I45-K49 VanDerWaalsContact O-CB 3.25Å; I45-K49 WeakPolarHBondContact O-CB 3.39Å; I45-K49 PolarHBondContact O-N 3.47Å; D46-K49 WeakPolarHBondContact OD1-CD 3.41Å; D46-K49 IonicContact OD1-NZ 3.79Å; D46-K49 PolarHBondContact OD1-NZ 2.59Å; S47-K49 PolarHBondContact O-N 3.1Å; K49-Y51 PolarHBondContact O-N 2.81Å; K49-L78 HydrophobicContact CB-CD2 4.35Å; K49-L78 HydrophobicContact CD-CD2 4.28Å; K49-L78 HydrophobicContact CG-CD2 4.23Å
50R87.4Confident90.1Very high147 Ų14745.7 Ų45.756%0.55522%0.218SC*.THydrogen-bonded Turntrans-64.1-26.6174.3-57.5178.2-172.6175.73.3112.8S47 M48 Q54 Q595S47-R50 PolarHBondContact O-N 2.9Å; M48-R50 PolarHBondContact O-N 2.79Å; M48-R50 VanDerWaalsContact O-N 3.09Å; R50-Q54 PolarHBondContact O-NE2 2.78Å; R50-Q595 VanDerWaalsContact NH1-OE1 3.08Å
51Y87.3Confident90.5Very high49 Ų4944.9 Ų44.919%0.19221%0.214CC..THydrogen-bonded Turntrans-110.2-16.7-171.7-57-69.5000114.2V10 L22 S47 M48 K49 H53 Q54 V55V10-Y51 HydrophobicContact CG2-CD2 4.42Å; L22-Y51 HydrophobicContact CD2-CD1 3.55Å; L22-Y51 HydrophobicContact CD2-CE1 4.11Å; L22-Y51 HydrophobicContact CD2-CG 3.86Å; S47-Y51 WeakPolarHBondContact O-CD2 3.44Å; M48-Y51 WeakPolarHBondContact O-CA 3.25Å; M48-Y51 PolarHBondContact O-N 3.41Å; K49-Y51 PolarHBondContact O-N 2.81Å; Y51-H53 VanDerWaalsContact C-N 3.3Å; Y51-H53 PolarHBondContact O-N 3.23Å; Y51-H53 VanDerWaalsContact O-N 3.16Å; Y51-Q54 CarbonylContact O-C 3.58Å; Y51-Q54 WeakPolarHBondContact O-CA 3.46Å; Y51-Q54 WeakPolarHBondContact O-CB 3.49Å; Y51-Q54 PolarHBondContact O-N 3.02Å; Y51-V55 PolarHBondContact O-N 3.06Å
52V89.1Confident91Very high9 Ų943.7 Ų43.76%0.05521%0.206CC..G310 helixtrans-48.4-45.5-176.5167.90000113.6M48 Q54 V55 L78 L80M48-V52 HydrophobicContact CG-CG2 4.08Å; M48-V52 PolarHBondContact O-N 3.06Å; M48-V52 VanDerWaalsContact O-N 3.13Å; V52-Q54 PolarHBondContact O-N 3.36Å; V52-V55 PolarHBondContact O-N 3Å; V52-L78 HydrophobicContact CG1-CB 4.31Å; V52-L78 HydrophobicContact CG2-CB 4.06Å; V52-L78 HydrophobicContact CG2-CD1 3.88Å; V52-L80 HydrophobicContact CG1-CB 4.14Å; V52-L80 HydrophobicContact CG1-CD1 3.95Å
53H88.8Confident91.5Very high165 Ų16540.1 Ų40.176%0.76419%0.188SC*.G310 helixtrans-73.7-4.5179.5-52-48.5000114.5Y51Y51-H53 VanDerWaalsContact C-N 3.3Å; Y51-H53 PolarHBondContact O-N 3.23Å; Y51-H53 VanDerWaalsContact O-N 3.16Å
54Q90.4Very high91.9Very high78 Ų7834.4 Ų34.436%0.36416%0.158SC..G310 helixtrans-113.2-0-177-55.2176.872.900112.5R29 R50 Y51 V52R29-Q54 WeakPolarHBondContact CB-O 3.47Å; R29-Q54 WeakPolarHBondContact CD-O 3.43Å; R29-Q54 VanDerWaalsContact NH2-OE1 3.17Å; R50-Q54 PolarHBondContact O-NE2 2.78Å; Y51-Q54 CarbonylContact O-C 3.58Å; Y51-Q54 WeakPolarHBondContact O-CA 3.46Å; Y51-Q54 WeakPolarHBondContact O-CB 3.49Å; Y51-Q54 PolarHBondContact O-N 3.02Å; V52-Q54 PolarHBondContact O-N 3.36Å
55V94.3Very high92.3Very high13 Ų1335.2 Ų35.28%0.07916%0.163CC..  trans-87.2126.6177.6174.50000110.2L22 L31 Y51 V52 A57 V58 L80L22-V55 HydrophobicContact CD1-CG2 3.85Å; L31-V55 HydrophobicContact CB-CG1 3.83Å; L31-V55 HydrophobicContact CB-CG2 4.14Å; L31-V55 HydrophobicContact CD1-CG2 4.31Å; Y51-V55 PolarHBondContact O-N 3.06Å; V52-V55 PolarHBondContact O-N 3Å; V55-A57 VanDerWaalsContact CG1-O 3.27Å; V55-A57 WeakPolarHBondContact CG1-O 3.11Å; V55-V58 HydrophobicContact CG1-CG2 4.36Å; V55-L80 HydrophobicContact CB-CD1 4.21Å; V55-L80 HydrophobicContact CG1-CD1 4.39Å
56D95Very high92.6Very high32 Ų3235.8 Ų35.817%0.17117%0.166CC..SBendtrans-96.8-23177.5-64.3-68.5000113.2F28 R29 C82 P83 K140F28-D56 WeakPolarHBondContact CA-OD2 3.48Å; F28-D56 HydrophobicContact CD1-CB 4.34Å; F28-D56 HydrophobicContact CD2-CB 3.63Å; F28-D56 HydrophobicContact CE1-CB 4.03Å; F28-D56 HydrophobicContact CE2-CB 3.31Å; F28-D56 HydrophobicContact CG-CB 4.16Å; F28-D56 HydrophobicContact CZ-CB 3.52Å; R29-D56 PolarHBondContact N-OD2 2.72Å; R29-D56 VanDerWaalsContact N-OD2 3.08Å; R29-D56 PolarHBondContact O-N 3.32Å; D56-C82 WeakPolarHBondContact O-CB 3.23Å; D56-P83 WeakPolarHBondContact O-CD 3.29Å; D56-K140 WeakPolarHBondContact OD1-CD 3.23Å; D56-K140 WeakPolarHBondContact OD1-CE 3.49Å; D56-K140 IonicContact OD1-NZ 3.66Å; D56-K140 PolarHBondContact OD1-NZ 3.16Å; D56-K140 IonicContact OD2-NZ 2.68Å
57A95.6Very high92.9Very high0 Ų031.7 Ų31.70%014%0.144CC..EExtended strand (participates in β ladder)trans-156.6155.7171.600000112.6F28 R29 F30 L31 V55 P83 Y85F28-A57 HydrophobicContact CE1-CB 4.02Å; F28-A57 HydrophobicContact CZ-CB 3.78Å; R29-A57 PolarHBondContact O-N 2.7Å; F30-A57 CarbonylContact C-O 3.57Å; F30-A57 WeakPolarHBondContact CA-O 3.3Å; F30-A57 HydrophobicContact CD1-CB 4.33Å; L31-A57 PolarHBondContact N-O 2.86Å; V55-A57 VanDerWaalsContact CG1-O 3.27Å; V55-A57 WeakPolarHBondContact CG1-O 3.11Å; A57-P83 WeakPolarHBondContact CA-O 3.2Å; A57-P83 HydrophobicContact CB-CG 4.28Å; A57-Y85 HydrophobicContact CB-CD2 4.28Å; A57-Y85 HydrophobicContact CB-CE2 3.99Å
58V97.1Very high93.4Very high0 Ų031.2 Ų31.20%014%0.141CC..EExtended strand (participates in β ladder)trans-110.3138.6169.3-172.90000109.9L31 V55 L60 L80 P83 I84 Y85L31-V58 HydrophobicContact CB-CG1 4.36Å; L31-V58 HydrophobicContact CB-CG2 4.18Å; L31-V58 HydrophobicContact CD2-CG2 4.29Å; L31-V58 CarbonylContact O-C 3.59Å; L31-V58 WeakPolarHBondContact O-CA 3.38Å; V55-V58 HydrophobicContact CG1-CG2 4.36Å; V58-L60 HydrophobicContact CG1-CD2 3.73Å; V58-L60 HydrophobicContact CG1-CG 4.33Å; V58-L80 HydrophobicContact CG2-CD2 3.88Å; V58-P83 PolarHBondContact N-O 3.46Å; V58-I84 HydrophobicContact CB-CB 4.23Å; V58-I84 HydrophobicContact CB-CG1 3.89Å; V58-I84 HydrophobicContact CB-CG2 4.08Å; V58-I84 HydrophobicContact CG1-CG2 4.32Å; V58-I84 HydrophobicContact CG2-CG1 3.9Å; V58-Y85 PolarHBondContact O-N 3.07Å
59L97.9Very high93.7Very high0 Ų031 Ų310%014%0.14CC..EExtended strand (participates in β ladder)trans-115.2120169.1-55-173.4000108.8F30 L31 L32 D33 Y85 I146 W160 I162F30-L59 HydrophobicContact CD1-CD1 3.8Å; F30-L59 HydrophobicContact CD1-CD2 4.2Å; F30-L59 HydrophobicContact CD1-CG 3.85Å; F30-L59 HydrophobicContact CE1-CD1 4.18Å; F30-L59 HydrophobicContact CE1-CD2 4.43Å; F30-L59 HydrophobicContact CE1-CG 4.46Å; F30-L59 HydrophobicContact CG-CD1 4.45Å; L31-L59 PolarHBondContact O-N 2.57Å; L32-L59 HydrophobicContact CD2-CB 4.11Å; L32-L59 HydrophobicContact CD2-CD1 3.75Å; L32-L59 HydrophobicContact CD2-CG 4.16Å; D33-L59 PolarHBondContact N-O 3.32Å; L59-Y85 HydrophobicContact CD2-CD2 3.92Å; L59-Y85 HydrophobicContact CD2-CG 4.23Å; L59-I146 HydrophobicContact CD1-CG2 4.39Å; L59-I146 HydrophobicContact CD2-CD1 3.69Å; L59-I146 HydrophobicContact CD2-CG2 4.45Å; L59-W160 HydrophobicContact CB-CD2 3.98Å; L59-W160 HydrophobicContact CB-CG 4.09Å; L59-W160 HydrophobicContact CB-CZ2 4.31Å; L59-W160 HydrophobicContact CD1-CB 4.14Å; L59-W160 HydrophobicContact CD1-CD2 3.96Å; L59-W160 HydrophobicContact CD1-CE3 4.1Å; L59-W160 HydrophobicContact CD1-CG 3.99Å; L59-W160 HydrophobicContact CD2-CD2 4.36Å; L59-W160 HydrophobicContact CD2-CE3 4.19Å; L59-W160 HydrophobicContact CD2-CH2 4.31Å; L59-W160 HydrophobicContact CD2-CZ2 4.48Å; L59-W160 HydrophobicContact CD2-CZ3 4.16Å; L59-W160 HydrophobicContact CG-CD2 4.33Å; L59-I162 HydrophobicContact CD1-CD1 3.76Å; L59-I162 HydrophobicContact CD1-CG1 4.14Å
60L98.1Very high94Very high0 Ų025.7 Ų25.70%012%0.117CC..  trans-101.4132.1176.9-55.9179.1000110.2D33 V58 L68 L71 I84 Y85 A86 V90 I126 T158 W160D33-L60 WeakPolarHBondContact OD1-CA 3.13Å; V58-L60 HydrophobicContact CG1-CD2 3.73Å; V58-L60 HydrophobicContact CG1-CG 4.33Å; L60-L68 HydrophobicContact CD1-CB 4.2Å; L60-L68 HydrophobicContact CD1-CD2 4.25Å; L60-L68 HydrophobicContact CD2-CB 4.14Å; L60-L71 HydrophobicContact CD1-CD2 3.91Å; L60-I84 HydrophobicContact CD1-CG2 3.74Å; L60-I84 HydrophobicContact CG-CG2 3.89Å; L60-Y85 PolarHBondContact N-O 3Å; L60-A86 HydrophobicContact CB-CB 4.12Å; L60-A86 HydrophobicContact CD1-CB 4.25Å; L60-V90 HydrophobicContact CB-CG1 4.17Å; L60-I126 HydrophobicContact CD1-CD1 4.06Å; L60-T158 PolarHBondContact O-OG1 2.87Å; L60-W160 WeakPolarHBondContact O-CZ2 3.46Å; L60-W160 PolarHBondContact O-NE1 3.31Å
61S96.4Very high94.3Very high0 Ų018.7 Ų18.70%09%0.091CC..  trans-94.5-43.7-177.963.40000114D33 H67 G157 T158D33-S61 VanDerWaalsContact CG-OG 3.25Å; D33-S61 PolarHBondContact OD1-N 2.91Å; D33-S61 PolarHBondContact OD1-OG 3.34Å; D33-S61 VanDerWaalsContact OD1-OG 3.11Å; D33-S61 WeakPolarHBondContact OD2-CB 3.23Å; D33-S61 PolarHBondContact OD2-OG 2.74Å; S61-H67 PolarHBondContact OG-CD2 3.32Å; S61-G157 CarbonylContact O-C 3.54Å; S61-G157 VanDerWaalsContact O-CA 3.31Å; S61-G157 WeakPolarHBondContact O-CA 3.39Å; S61-T158 WeakPolarHBondContact CA-OG1 3.36Å; S61-T158 VanDerWaalsContact CB-O 3.31Å; S61-T158 WeakPolarHBondContact CB-O 3.2Å; S61-T158 PolarHBondContact O-N 2.87Å
62H96.7Very high94.7Very high0 Ų016.4 Ų16.40%08%0.081CC..  trans-133.7159.4-174.1-66.2112.8000112.6D64 H67 H153 G157H62-D64 VanDerWaalsContact C-N 3.33Å; H62-D64 WeakPolarHBondContact CB-OD1 3.05Å; H62-D64 PolarHBondContact O-N 2.88Å; H62-H67 HydrophobicContact CB-CB 4.11Å; H62-H67 AromaticContact CG-CE1 3.91Å; H62-H67 AromaticContact CG-NE2 3.85Å; H62-H67 AromaticContact ND1-CD2 3.62Å; H62-H67 AromaticContact ND1-CE1 3.46Å; H62-H67 PolarHBondContact ND1-CE1 3.46Å; H62-H67 AromaticContact ND1-NE2 3.05Å; H62-H67 PolarHBondContact ND1-NE2 2.88Å; H62-H153 AromaticContact CD2-CD2 3.97Å; H62-H153 AromaticContact NE2-CD2 3.92Å; H62-G157 WeakPolarHBondContact CD2-CA 3.25Å
63P96.6Very high94.9Very high0 Ų018.3 Ų18.30%09%0.088CC..SBendtrans-79.2-7.8-173.631.2-35.4000115M93 G94 F97 M154P63-M93 HydrophobicContact CB-CB 3.87Å; P63-M93 HydrophobicContact CG-CB 4.4Å; P63-G94 VanDerWaalsContact O-CA 3.28Å; P63-G94 WeakPolarHBondContact O-CA 3.22Å; P63-F97 HydrophobicContact CB-CD2 4Å; P63-F97 HydrophobicContact CB-CE2 4.04Å; P63-F97 HydrophobicContact CG-CD2 4.42Å; P63-F97 HydrophobicContact CG-CE2 3.95Å; P63-F97 WeakPolarHBondContact O-CD2 3.31Å; P63-M154 HydrophobicContact CG-CB 3.99Å; P63-M154 HydrophobicContact CG-SD 3.85Å
64D94.9Very high95.1Very high6 Ų610.4 Ų10.43%0.0325%0.052CC..SBendtrans-91.3164.2-168.362.3-77000113.9H62 L66 H67 L68 F97 M154H62-D64 VanDerWaalsContact C-N 3.33Å; H62-D64 WeakPolarHBondContact CB-OD1 3.05Å; H62-D64 PolarHBondContact O-N 2.88Å; D64-L66 VanDerWaalsContact C-N 3.25Å; D64-L66 PolarHBondContact O-N 2.96Å; D64-L66 WeakPolarHBondContact OD2-CB 3.39Å; D64-L66 PolarHBondContact OD2-N 3.22Å; D64-H67 VanDerWaalsContact CG-ND1 3.29Å; D64-H67 PolarHBondContact O-N 3.25Å; D64-H67 IonicContact OD1-CE1 2.7Å; D64-H67 IonicContact OD1-CG 3.94Å; D64-H67 IonicContact OD1-ND1 2.82Å; D64-H67 PolarHBondContact OD1-ND1 2.97Å; D64-H67 IonicContact OD2-CE1 2.72Å; D64-H67 IonicContact OD2-CG 3.8Å; D64-H67 IonicContact OD2-ND1 2.65Å; D64-H67 PolarHBondContact OD2-ND1 3.38Å; D64-L68 PolarHBondContact O-N 2.92Å; D64-F97 HydrophobicContact CB-CE1 4.07Å; D64-F97 HydrophobicContact CB-CE2 4.29Å; D64-F97 HydrophobicContact CB-CZ 3.94Å; D64-M154 HydrophobicContact CB-CE 3.73Å; D64-M154 HydrophobicContact CB-SD 4.13Å; D64-M154 WeakPolarHBondContact OD1-CE 3.43Å
65P94.5Very high95.2Very high25 Ų257.3 Ų7.316%0.1624%0.038CC..Hα-helixtrans-61-28.2-174.5-25.636.8000114.5G35 W36 H67 G69 F97 L101G35-P65 CarbonylContact C-O 3.56Å; G35-P65 VanDerWaalsContact CA-O 3.26Å; G35-P65 WeakPolarHBondContact CA-O 3.31Å; W36-P65 PolarHBondContact N-O 3.14Å; P65-H67 PolarHBondContact O-N 3.28Å; P65-G69 VanDerWaalsContact O-CA 3.23Å; P65-G69 WeakPolarHBondContact O-CA 3.16Å; P65-G69 PolarHBondContact O-N 3.48Å; P65-F97 HydrophobicContact CG-CD1 4.34Å; P65-L101 HydrophobicContact CB-CD2 3.9Å; P65-L101 HydrophobicContact CG-CD2 3.67Å
66L93.5Very high94.8Very high16 Ų168.3 Ų8.38%0.0845%0.051CC..Hα-helixtrans-69.8-11.4178.5-58.5176.7000113.1A18 L19 G35 D64 T360A18-L66 HydrophobicContact CB-CD2 4Å; L19-L66 WeakPolarHBondContact CB-O 3.21Å; L19-L66 PolarHBondContact N-O 3.12Å; G35-L66 WeakPolarHBondContact CA-O 3.48Å; D64-L66 VanDerWaalsContact C-N 3.25Å; D64-L66 PolarHBondContact O-N 2.96Å; D64-L66 WeakPolarHBondContact OD2-CB 3.39Å; D64-L66 PolarHBondContact OD2-N 3.22Å; L66-T360 HydrophobicContact CD2-CG2 4.47Å
67H95.3Very high94.5Very high0 Ų011.6 Ų11.60%06%0.064CC..Hα-helixtrans-116.7-31.3179.3-65.192.4000113.6L19 D33 C34 G35 S61 H62 D64 P65 D175L19-H67 WeakPolarHBondContact CD1-CD2 3.46Å; L19-H67 WeakPolarHBondContact CD1-NE2 3.35Å; D33-H67 WeakPolarHBondContact CB-O 3.35Å; D33-H67 IonicContact OD2-CD2 3.35Å; C34-H67 CarbonylContact C-O 3.52Å; C34-H67 VanDerWaalsContact C-O 3.32Å; C34-H67 PolarHBondContact N-O 3.42Å; G35-H67 PolarHBondContact N-O 3.33Å; S61-H67 PolarHBondContact OG-CD2 3.32Å; H62-H67 HydrophobicContact CB-CB 4.11Å; H62-H67 AromaticContact CG-CE1 3.91Å; H62-H67 AromaticContact CG-NE2 3.85Å; H62-H67 AromaticContact ND1-CD2 3.62Å; H62-H67 AromaticContact ND1-CE1 3.46Å; H62-H67 PolarHBondContact ND1-CE1 3.46Å; H62-H67 AromaticContact ND1-NE2 3.05Å; H62-H67 PolarHBondContact ND1-NE2 2.88Å; D64-H67 VanDerWaalsContact CG-ND1 3.29Å; D64-H67 PolarHBondContact O-N 3.25Å; D64-H67 IonicContact OD1-CE1 2.7Å; D64-H67 IonicContact OD1-CG 3.94Å; D64-H67 IonicContact OD1-ND1 2.82Å; D64-H67 PolarHBondContact OD1-ND1 2.97Å; D64-H67 IonicContact OD2-CE1 2.72Å; D64-H67 IonicContact OD2-CG 3.8Å; D64-H67 IonicContact OD2-ND1 2.65Å; D64-H67 PolarHBondContact OD2-ND1 3.38Å; P65-H67 PolarHBondContact O-N 3.28Å; H67-D175 IonicContact CE1-OD2 3.31Å; H67-D175 PolarHBondContact CE1-OD2 2.82Å; H67-D175 IonicContact NE2-OD2 3.07Å
68L95.4Very high94.1Very high0 Ų012.9 Ų12.90%07%0.07CC..Hα-helixtrans-132.76.7-17960.865.1000116.3C34 L60 D64 A70 L71 V90 M98 F123C34-L68 CarbonylContact O-C 3.54Å; C34-L68 VanDerWaalsContact O-C 3.26Å; C34-L68 WeakPolarHBondContact O-CA 3.18Å; L60-L68 HydrophobicContact CD1-CB 4.2Å; L60-L68 HydrophobicContact CD1-CD2 4.25Å; L60-L68 HydrophobicContact CD2-CB 4.14Å; D64-L68 PolarHBondContact O-N 2.92Å; L68-A70 VanDerWaalsContact C-N 3.3Å; L68-A70 PolarHBondContact O-N 3.17Å; L68-L71 WeakPolarHBondContact O-CB 3.22Å; L68-L71 PolarHBondContact O-N 2.69Å; L68-V90 HydrophobicContact CD2-CG1 4.18Å; L68-M98 HydrophobicContact CD1-CG 3.85Å; L68-M98 HydrophobicContact CD1-SD 3.75Å; L68-F123 HydrophobicContact CD1-CZ 4.18Å; L68-F123 HydrophobicContact CD2-CE1 4.45Å; L68-F123 HydrophobicContact CD2-CZ 4.01Å
69G94.1Very high93.7Very high0 Ų015.1 Ų15.10%09%0.094CC..THydrogen-bonded Turntrans-61.7-28.9-172.200000115.6C34 P65 M98C34-G69 PolarHBondContact O-N 3.16Å; P65-G69 VanDerWaalsContact O-CA 3.23Å; P65-G69 WeakPolarHBondContact O-CA 3.16Å; P65-G69 PolarHBondContact O-N 3.48Å; G69-M98 WeakPolarHBondContact O-CE 3.49Å
70A94.8Very high93.3Very high0 Ų015.3 Ų15.30%010%0.095CC..THydrogen-bonded Turntrans-86-8.8178.300000112.8C34 G35 W36 I45 M48 L68 Y73 A74C34-A70 WeakPolarHBondContact O-CB 3.49Å; C34-A70 PolarHBondContact O-N 2.82Å; G35-A70 WeakPolarHBondContact O-CB 3.32Å; W36-A70 HydrophobicContact CB-CB 4.16Å; W36-A70 HydrophobicContact CD2-CB 4.32Å; W36-A70 HydrophobicContact CE3-CB 4.29Å; W36-A70 HydrophobicContact CG-CB 4.3Å; I45-A70 HydrophobicContact CD1-CB 3.91Å; M48-A70 HydrophobicContact CE-CB 4.06Å; L68-A70 VanDerWaalsContact C-N 3.3Å; L68-A70 PolarHBondContact O-N 3.17Å; A70-Y73 PolarHBondContact O-N 3.38Å; A70-Y73 VanDerWaalsContact O-N 3.15Å; A70-A74 WeakPolarHBondContact O-CB 3.18Å; A70-A74 PolarHBondContact O-N 2.79Å
71L94.8Very high92.9Very high0 Ų021.7 Ų21.70%013%0.129CC..Hα-helixtrans-58.5-44.3-174.6-170.872000114.1L60 L68 Y73 A74 V75 I84 A122 I126L60-L71 HydrophobicContact CD1-CD2 3.91Å; L68-L71 WeakPolarHBondContact O-CB 3.22Å; L68-L71 PolarHBondContact O-N 2.69Å; L71-Y73 VanDerWaalsContact C-N 3.3Å; L71-Y73 PolarHBondContact O-N 3.3Å; L71-A74 PolarHBondContact O-N 3.42Å; L71-V75 HydrophobicContact CD1-CG2 4.23Å; L71-V75 HydrophobicContact CG-CG2 4.44Å; L71-V75 WeakPolarHBondContact O-CG2 3.35Å; L71-V75 PolarHBondContact O-N 2.77Å; L71-I84 HydrophobicContact CD1-CD1 3.85Å; L71-I84 HydrophobicContact CD1-CG1 4.25Å; L71-I84 HydrophobicContact CD2-CD1 4.39Å; L71-A122 HydrophobicContact CD2-CB 4.46Å; L71-A122 HydrophobicContact CG-CB 4.21Å; L71-I126 HydrophobicContact CD2-CD1 4.02Å
72P94.6Very high92.7Very high0 Ų022.3 Ų22.30%013%0.133CC..Hα-helixtrans-60.6-39.3176.1-24.637.1000112.5G76 M98 F114 D118 V119P72-G76 WeakPolarHBondContact O-CA 3.45Å; P72-G76 PolarHBondContact O-N 2.56Å; P72-M98 HydrophobicContact CG-CE 3.8Å; P72-M98 HydrophobicContact CG-CG 4.41Å; P72-F114 HydrophobicContact CB-CB 4.06Å; P72-F114 HydrophobicContact CB-CD2 3.99Å; P72-F114 HydrophobicContact CB-CG 3.98Å; P72-F114 HydrophobicContact CG-CD2 4.41Å; P72-D118 HydrophobicContact CB-CB 4.25Å; P72-V119 HydrophobicContact CB-CG2 4.09Å; P72-V119 HydrophobicContact CG-CB 4.49Å; P72-V119 HydrophobicContact CG-CG2 3.89Å
73Y93.8Very high92.6Very high49 Ų4924.4 Ų24.419%0.19215%0.147CC..Hα-helixtrans-70.5-42.3177.2-166.5-83.1000111.8W36 I45 A70 L71 V75 K77 L78 L113W36-Y73 AromaticContact CH2-CD2 3.79Å; W36-Y73 HydrophobicContact CH2-CD2 3.79Å; W36-Y73 HydrophobicContact CH2-CE2 4.34Å; W36-Y73 AromaticContact CH2-CG 3.96Å; W36-Y73 HydrophobicContact CH2-CG 3.96Å; W36-Y73 HydrophobicContact CZ3-CD2 4.06Å; W36-Y73 HydrophobicContact CZ3-CG 4.02Å; I45-Y73 HydrophobicContact CD1-CD1 4.03Å; I45-Y73 HydrophobicContact CG2-CD1 3.9Å; I45-Y73 HydrophobicContact CG2-CE1 3.42Å; I45-Y73 VanDerWaalsContact CG2-CE1 3.42Å; A70-Y73 PolarHBondContact O-N 3.38Å; A70-Y73 VanDerWaalsContact O-N 3.15Å; L71-Y73 VanDerWaalsContact C-N 3.3Å; L71-Y73 PolarHBondContact O-N 3.3Å; Y73-V75 PolarHBondContact O-N 3.02Å; Y73-K77 HydrophobicContact CD1-CB 4.14Å; Y73-K77 HydrophobicContact CD1-CG 4.49Å; Y73-K77 HydrophobicContact CD2-CB 4.3Å; Y73-K77 HydrophobicContact CD2-CG 3.8Å; Y73-K77 HydrophobicContact CE1-CB 3.95Å; Y73-K77 HydrophobicContact CE1-CG 4.47Å; Y73-K77 HydrophobicContact CE2-CB 4.14Å; Y73-K77 HydrophobicContact CE2-CG 3.8Å; Y73-K77 HydrophobicContact CG-CB 4.3Å; Y73-K77 HydrophobicContact CG-CG 4.17Å; Y73-K77 WeakPolarHBondContact O-CA 3.35Å; Y73-K77 WeakPolarHBondContact O-CB 3.32Å; Y73-K77 PolarHBondContact O-N 2.73Å; Y73-L78 HydrophobicContact CD1-CD1 4.41Å; Y73-L78 HydrophobicContact CD1-CD2 4.44Å; Y73-L78 HydrophobicContact CD1-CG 4.05Å; Y73-L78 HydrophobicContact CE1-CD2 3.94Å; Y73-L78 HydrophobicContact CE1-CG 4.06Å; Y73-L78 PolarHBondContact O-N 2.85Å; Y73-L78 VanDerWaalsContact O-N 3.1Å; Y73-L113 VanDerWaalsContact CD2-O 3.29Å; Y73-L113 WeakPolarHBondContact CD2-O 3.4Å
74A92.8Very high92.6Very high0 Ų024.5 Ų24.50%015%0.147CC..Hα-helixtrans-63.3-42.2178.500000112.1M48 A70 L71 L78 G79 L80M48-A74 HydrophobicContact SD-CB 3.9Å; A70-A74 WeakPolarHBondContact O-CB 3.18Å; A70-A74 PolarHBondContact O-N 2.79Å; L71-A74 PolarHBondContact O-N 3.42Å; A74-L78 HydrophobicContact CB-CD1 4.45Å; A74-L78 CarbonylContact O-C 3.53Å; A74-L78 WeakPolarHBondContact O-CB 3.28Å; A74-L78 PolarHBondContact O-N 3.41Å; A74-G79 PolarHBondContact O-N 2.91Å; A74-G79 VanDerWaalsContact O-N 3.12Å; A74-L80 HydrophobicContact CB-CB 4.37Å; A74-L80 HydrophobicContact CB-CD2 4.1Å; A74-L80 VanDerWaalsContact O-CB 3.24Å; A74-L80 WeakPolarHBondContact O-CB 3.32Å; A74-L80 PolarHBondContact O-N 2.91Å
75V92.3Very high92.7Very high12 Ų1225 Ų257%0.07315%0.149CC..Hα-helixtrans-75.6-50.1177.2176.40000111.7L71 Y73 L80 I84 A122 K125L71-V75 HydrophobicContact CD1-CG2 4.23Å; L71-V75 HydrophobicContact CG-CG2 4.44Å; L71-V75 WeakPolarHBondContact O-CG2 3.35Å; L71-V75 PolarHBondContact O-N 2.77Å; Y73-V75 PolarHBondContact O-N 3.02Å; V75-L80 HydrophobicContact CG2-CB 4.35Å; V75-I84 HydrophobicContact CG2-CD1 4.24Å; V75-A122 HydrophobicContact CB-CB 3.89Å; V75-A122 HydrophobicContact CG1-CB 4.31Å; V75-A122 HydrophobicContact CG2-CB 3.93Å; V75-K125 HydrophobicContact CG1-CD 3.96Å
76G87.1Confident92.9Very high35 Ų3523.9 Ų23.936%0.36114%0.141SC..Hα-helixtrans-78.9-31.1-172.100000115.3P72P72-G76 WeakPolarHBondContact O-CA 3.45Å; P72-G76 PolarHBondContact O-N 2.56Å
77K88.2Confident93.1Very high101 Ų10123.1 Ų23.144%0.43914%0.137SC..THydrogen-bonded Turntrans-114.1-39.1-175.8-48.2-57.1179.7-130.70113.8Y73 D118Y73-K77 HydrophobicContact CD1-CB 4.14Å; Y73-K77 HydrophobicContact CD1-CG 4.49Å; Y73-K77 HydrophobicContact CD2-CB 4.3Å; Y73-K77 HydrophobicContact CD2-CG 3.8Å; Y73-K77 HydrophobicContact CE1-CB 3.95Å; Y73-K77 HydrophobicContact CE1-CG 4.47Å; Y73-K77 HydrophobicContact CE2-CB 4.14Å; Y73-K77 HydrophobicContact CE2-CG 3.8Å; Y73-K77 HydrophobicContact CG-CB 4.3Å; Y73-K77 HydrophobicContact CG-CG 4.17Å; Y73-K77 WeakPolarHBondContact O-CA 3.35Å; Y73-K77 WeakPolarHBondContact O-CB 3.32Å; Y73-K77 PolarHBondContact O-N 2.73Å; K77-D118 IonicContact NZ-OD1 2.76Å; K77-D118 PolarHBondContact NZ-OD1 2.91Å; K77-D118 IonicContact NZ-OD2 2.76Å; K77-D118 PolarHBondContact NZ-OD2 3.46Å
78L88.1Confident93.2Very high26 Ų2625 Ų2514%0.13615%0.147CC..SBendtrans-86.5-11177.3-52.6179.9000113.5I45 M48 K49 V52 Y73 A74I45-L78 HydrophobicContact CG2-CD1 4.33Å; I45-L78 HydrophobicContact CG2-CD2 4.39Å; M48-L78 HydrophobicContact SD-CD1 4.24Å; K49-L78 HydrophobicContact CB-CD2 4.35Å; K49-L78 HydrophobicContact CD-CD2 4.28Å; K49-L78 HydrophobicContact CG-CD2 4.23Å; V52-L78 HydrophobicContact CG1-CB 4.31Å; V52-L78 HydrophobicContact CG2-CB 4.06Å; V52-L78 HydrophobicContact CG2-CD1 3.88Å; Y73-L78 HydrophobicContact CD1-CD1 4.41Å; Y73-L78 HydrophobicContact CD1-CD2 4.44Å; Y73-L78 HydrophobicContact CD1-CG 4.05Å; Y73-L78 HydrophobicContact CE1-CD2 3.94Å; Y73-L78 HydrophobicContact CE1-CG 4.06Å; Y73-L78 PolarHBondContact O-N 2.85Å; Y73-L78 VanDerWaalsContact O-N 3.1Å; A74-L78 HydrophobicContact CB-CD1 4.45Å; A74-L78 CarbonylContact O-C 3.53Å; A74-L78 WeakPolarHBondContact O-CB 3.28Å; A74-L78 PolarHBondContact O-N 3.41Å
79G86.9Confident93.3Very high47 Ų4725 Ų2549%0.48515%0.147SC..  trans77.625.5176.500000114.8A74 N81A74-G79 PolarHBondContact O-N 2.91Å; A74-G79 VanDerWaalsContact O-N 3.12Å; G79-N81 PolarHBondContact O-N 2.85Å
80L90.7Very high93.4Very high4 Ų425 Ų252%0.02115%0.147CC..  trans-59.2120.9178-172.268.3000110.9V52 V55 V58 A74 V75 K125V52-L80 HydrophobicContact CG1-CB 4.14Å; V52-L80 HydrophobicContact CG1-CD1 3.95Å; V55-L80 HydrophobicContact CB-CD1 4.21Å; V55-L80 HydrophobicContact CG1-CD1 4.39Å; V58-L80 HydrophobicContact CG2-CD2 3.88Å; A74-L80 HydrophobicContact CB-CB 4.37Å; A74-L80 HydrophobicContact CB-CD2 4.1Å; A74-L80 VanDerWaalsContact O-CB 3.24Å; A74-L80 WeakPolarHBondContact O-CB 3.32Å; A74-L80 PolarHBondContact O-N 2.91Å; V75-L80 HydrophobicContact CG2-CB 4.35Å; L80-K125 PolarHBondContact O-NZ 2.82Å
81N89Confident93.5Very high135 Ų13526 Ų2672%0.72215%0.151SC*.  trans-136.447.3-170.6-156.847000113.7G79 K125G79-N81 PolarHBondContact O-N 2.85Å; N81-K125 PolarHBondContact OD1-NZ 3.44Å
82C91.8Very high93.6Very high13 Ų1328.3 Ų28.39%0.08816%0.161CC..SBendtrans-112.6161.5173.156.70000110.8D56 I84D56-C82 WeakPolarHBondContact O-CB 3.23Å; C82-I84 PolarHBondContact O-N 2.73Å
83P94.4Very high93.7Very high44 Ų4428.3 Ų28.329%0.28616%0.161SC..  trans-61.8131.8169.227.2-36.3000111.5D56 A57 V58 Y85D56-P83 WeakPolarHBondContact O-CD 3.29Å; A57-P83 WeakPolarHBondContact CA-O 3.2Å; A57-P83 HydrophobicContact CB-CG 4.28Å; V58-P83 PolarHBondContact N-O 3.46Å; P83-Y85 HydrophobicContact CB-CE2 3.88Å; P83-Y85 HydrophobicContact CG-CE2 4.04Å
84I97.3Very high93.8Very high1 Ų126 Ų261%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-103.4135172.1-59.7145.4000107.7V58 L60 L71 V75 C82 K125 I126 Q127V58-I84 HydrophobicContact CB-CB 4.23Å; V58-I84 HydrophobicContact CB-CG1 3.89Å; V58-I84 HydrophobicContact CB-CG2 4.08Å; V58-I84 HydrophobicContact CG1-CG2 4.32Å; V58-I84 HydrophobicContact CG2-CG1 3.9Å; L60-I84 HydrophobicContact CD1-CG2 3.74Å; L60-I84 HydrophobicContact CG-CG2 3.89Å; L71-I84 HydrophobicContact CD1-CD1 3.85Å; L71-I84 HydrophobicContact CD1-CG1 4.25Å; L71-I84 HydrophobicContact CD2-CD1 4.39Å; V75-I84 HydrophobicContact CG2-CD1 4.24Å; C82-I84 PolarHBondContact O-N 2.73Å; I84-K125 HydrophobicContact CD1-CB 3.88Å; I84-I126 HydrophobicContact CB-CG1 4.04Å; I84-I126 HydrophobicContact CD1-CG1 4.36Å; I84-I126 HydrophobicContact CG2-CD1 4.28Å; I84-I126 HydrophobicContact CG2-CG1 3.77Å; I84-I126 HydrophobicContact CG2-CG2 4.43Å; I84-Q127 PolarHBondContact O-N 3.48Å
85Y97.9Very high94Very high18 Ų1826.7 Ų26.77%0.07116%0.155CC..EExtended strand (participates in β ladder)trans-115.7130.3178.5-62.2-83.7000110.5A57 V58 L59 L60 P83 Q127 L129 V135 L137 I146 W160A57-Y85 HydrophobicContact CB-CD2 4.28Å; A57-Y85 HydrophobicContact CB-CE2 3.99Å; V58-Y85 PolarHBondContact O-N 3.07Å; L59-Y85 HydrophobicContact CD2-CD2 3.92Å; L59-Y85 HydrophobicContact CD2-CG 4.23Å; L60-Y85 PolarHBondContact N-O 3Å; P83-Y85 HydrophobicContact CB-CE2 3.88Å; P83-Y85 HydrophobicContact CG-CE2 4.04Å; Y85-Q127 HydrophobicContact CD1-CB 3.83Å; Y85-Q127 HydrophobicContact CE1-CB 3.95Å; Y85-Q127 HydrophobicContact CE1-CG 4.35Å; Y85-L129 HydrophobicContact CD1-CD1 4.21Å; Y85-L129 HydrophobicContact CD1-CD2 4.34Å; Y85-L129 HydrophobicContact CD1-CG 4.48Å; Y85-V135 HydrophobicContact CE1-CG1 4.06Å; Y85-L137 HydrophobicContact CE2-CD2 4.04Å; Y85-I146 HydrophobicContact CD1-CD1 3.83Å; Y85-I146 HydrophobicContact CD2-CD1 3.72Å; Y85-I146 HydrophobicContact CE1-CD1 4.22Å; Y85-I146 HydrophobicContact CE2-CD1 4.12Å; Y85-I146 HydrophobicContact CG-CD1 3.56Å; Y85-W160 WeakPolarHBondContact O-CZ2 3.36Å
86A98Very high94.1Very high0 Ų026.3 Ų26.30%015%0.152CC..EExtended strand (participates in β ladder)trans-152.9166.117700000110L60 V90 I126 Q127 Q128 L129L60-A86 HydrophobicContact CB-CB 4.12Å; L60-A86 HydrophobicContact CD1-CB 4.25Å; A86-V90 HydrophobicContact CB-CB 4.13Å; A86-V90 HydrophobicContact CB-CG1 3.84Å; A86-I126 HydrophobicContact CB-CG2 3.63Å; A86-Q127 PolarHBondContact N-O 3.12Å; A86-Q128 CarbonylContact O-C 3.54Å; A86-Q128 WeakPolarHBondContact O-CA 3.46Å; A86-L129 PolarHBondContact O-N 3.46Å
87T97.9Very high94.6Very high0 Ų025 Ų250%014%0.137CC..EExtended strand (participates in β ladder)trans-80.4161.7171.150.90000112.3P89 V90 Y91 L129 Y131 P148 G156 T158 W286T87-P89 VanDerWaalsContact C-N 3.33Å; T87-V90 PolarHBondContact O-N 3.21Å; T87-V90 VanDerWaalsContact O-N 3.12Å; T87-V90 VanDerWaalsContact OG1-CG2 3.25Å; T87-V90 WeakPolarHBondContact OG1-CG2 3.22Å; T87-Y91 PolarHBondContact O-N 3.26Å; T87-L129 WeakPolarHBondContact CA-O 3.45Å; T87-Y131 HydrophobicContact CG2-CD1 4.27Å; T87-Y131 HydrophobicContact CG2-CE1 4.28Å; T87-P148 HydrophobicContact CG2-CB 4.17Å; T87-P148 HydrophobicContact CG2-CG 4.33Å; T87-G156 PolarHBondContact OG1-O 2.89Å; T87-T158 HydrophobicContact CG2-CG2 3.29Å; T87-W286 HydrophobicContact CG2-CH2 3.63Å; T87-W286 HydrophobicContact CG2-CZ3 3.62Å
88I97.3Very high94.9Very high41 Ų4120.1 Ų20.121%0.2112%0.116CC..Hα-helixtrans-51.5-43.8178.1-58172.8000112.6K92 Q128 L129 K130 W286I88-K92 PolarHBondContact O-N 2.95Å; I88-Q128 HydrophobicContact CG1-CB 4.11Å; I88-L129 PolarHBondContact N-O 3.22Å; I88-K130 HydrophobicContact CD1-CG 4.19Å; I88-W286 HydrophobicContact CB-CZ2 3.84Å; I88-W286 HydrophobicContact CD1-CZ2 3.99Å; I88-W286 HydrophobicContact CG1-CZ2 3.97Å
89P97Very high95.3Very high0 Ų021.5 Ų21.50%012%0.119CC..Hα-helixtrans-76-31.7177.7-1531.8000113.4T87 Y91 K92 M93 I155 W286T87-P89 VanDerWaalsContact C-N 3.33Å; P89-Y91 VanDerWaalsContact C-N 3.33Å; P89-K92 PolarHBondContact O-N 2.82Å; P89-M93 WeakPolarHBondContact O-CA 3.24Å; P89-M93 VanDerWaalsContact O-CB 3.23Å; P89-M93 WeakPolarHBondContact O-CB 3.19Å; P89-M93 WeakPolarHBondContact O-CG 3.47Å; P89-M93 PolarHBondContact O-N 3.23Å; P89-I155 HydrophobicContact CB-CG1 3.97Å; P89-I155 HydrophobicContact CB-CG2 4.25Å; P89-I155 HydrophobicContact CG-CG1 4.31Å; P89-W286 HydrophobicContact CG-CB 4.03Å; P89-W286 HydrophobicContact CG-CD2 3.37Å; P89-W286 HydrophobicContact CG-CE3 3.64Å; P89-W286 HydrophobicContact CG-CG 3.51Å; P89-W286 HydrophobicContact CG-CZ2 4.47Å; P89-W286 HydrophobicContact CG-CZ3 4.27Å
90V97.6Very high95.7Very high0 Ų019.2 Ų19.20%010%0.096CC..Hα-helixtrans-63.3-43.2173.5171.80000110.2L60 L68 A86 T87 G94L60-V90 HydrophobicContact CB-CG1 4.17Å; L68-V90 HydrophobicContact CD2-CG1 4.18Å; A86-V90 HydrophobicContact CB-CB 4.13Å; A86-V90 HydrophobicContact CB-CG1 3.84Å; T87-V90 PolarHBondContact O-N 3.21Å; T87-V90 VanDerWaalsContact O-N 3.12Å; T87-V90 VanDerWaalsContact OG1-CG2 3.25Å; T87-V90 WeakPolarHBondContact OG1-CG2 3.22Å; V90-G94 VanDerWaalsContact O-CA 3.28Å; V90-G94 WeakPolarHBondContact O-CA 3.34Å; V90-G94 PolarHBondContact O-N 3.25Å
91Y97.1Very high95.8Very high19 Ų1919.3 Ų19.38%0.07510%0.097CC..Hα-helixtrans-59.1-53.1171.7165.1-108.6000112.4T87 P89 Q95 F123 I126 Q128T87-Y91 PolarHBondContact O-N 3.26Å; P89-Y91 VanDerWaalsContact C-N 3.33Å; Y91-Q95 PolarHBondContact O-N 2.74Å; Y91-F123 HydrophobicContact CD2-CB 4.31Å; Y91-F123 AromaticContact CD2-CD1 3.8Å; Y91-F123 HydrophobicContact CD2-CD1 3.8Å; Y91-F123 HydrophobicContact CE2-CB 3.97Å; Y91-F123 HydrophobicContact CE2-CD1 4.23Å; Y91-F123 VanDerWaalsContact CE2-O 3.28Å; Y91-F123 WeakPolarHBondContact CE2-O 3.32Å; Y91-F123 VanDerWaalsContact O-CD1 3.26Å; Y91-F123 WeakPolarHBondContact O-CD1 3.48Å; Y91-F123 WeakPolarHBondContact O-CE1 3.36Å; Y91-I126 HydrophobicContact CD2-CB 4.05Å; Y91-I126 HydrophobicContact CD2-CD1 4.28Å; Y91-I126 HydrophobicContact CD2-CG2 4.31Å; Y91-Q128 HydrophobicContact CD1-CG 3.62Å; Y91-Q128 HydrophobicContact CD2-CG 4.38Å; Y91-Q128 VanDerWaalsContact CE1-CD 3.42Å; Y91-Q128 HydrophobicContact CE1-CG 4.24Å; Y91-Q128 HydrophobicContact CG-CG 3.72Å
92K96.2Very high96Very high49 Ų4914.6 Ų14.621%0.2137%0.069CC..Hα-helixtrans-77.9-39.9-175.1-79.1-44.1-164.7-1630115.5I88 P89 M96I88-K92 PolarHBondContact O-N 2.95Å; P89-K92 PolarHBondContact O-N 2.82Å; K92-M96 WeakPolarHBondContact O-CG 3.43Å; K92-M96 PolarHBondContact O-N 3.32Å
93M96.3Very high96.1Very high0 Ų017.1 Ų17.10%08%0.079CC..Hα-helixtrans-74.6-33.2176-60.1-51-171.600111.2P63 P89 Q95 M96 F97 I155 A240 L244 F279P63-M93 HydrophobicContact CB-CB 3.87Å; P63-M93 HydrophobicContact CG-CB 4.4Å; P89-M93 WeakPolarHBondContact O-CA 3.24Å; P89-M93 VanDerWaalsContact O-CB 3.23Å; P89-M93 WeakPolarHBondContact O-CB 3.19Å; P89-M93 WeakPolarHBondContact O-CG 3.47Å; P89-M93 PolarHBondContact O-N 3.23Å; M93-Q95 PolarHBondContact O-N 3.11Å; M93-M96 CarbonylContact O-C 3.52Å; M93-M96 WeakPolarHBondContact O-CA 3.28Å; M93-M96 WeakPolarHBondContact O-CB 3.38Å; M93-M96 PolarHBondContact O-N 3.05Å; M93-M96 VanDerWaalsContact O-N 3.09Å; M93-F97 WeakPolarHBondContact O-CD2 3.43Å; M93-F97 PolarHBondContact O-N 3.31Å; M93-I155 HydrophobicContact CE-CG2 4.37Å; M93-I155 HydrophobicContact CG-CG2 3.71Å; M93-A240 HydrophobicContact CB-CB 3.86Å; M93-A240 HydrophobicContact CG-CB 4.25Å; M93-A240 HydrophobicContact SD-CB 3.98Å; M93-L244 HydrophobicContact CE-CD1 4.32Å; M93-F279 HydrophobicContact CE-CB 3.97Å; M93-F279 HydrophobicContact SD-CB 4.32Å
94G96.6Very high95.9Very high0 Ų015 Ų150%07%0.066CC..Hα-helixtrans-60.6-42172.200000113.2P63 V90 M96 F97 M98 F123P63-G94 VanDerWaalsContact O-CA 3.28Å; P63-G94 WeakPolarHBondContact O-CA 3.22Å; V90-G94 VanDerWaalsContact O-CA 3.28Å; V90-G94 WeakPolarHBondContact O-CA 3.34Å; V90-G94 PolarHBondContact O-N 3.25Å; G94-M96 PolarHBondContact O-N 3.24Å; G94-F97 PolarHBondContact O-N 2.96Å; G94-M98 WeakPolarHBondContact O-CG 3.4Å; G94-M98 PolarHBondContact O-N 3.5Å; G94-F123 VanDerWaalsContact C-CE1 3.48Å
95Q96.3Very high95.6Very high15 Ų1516 Ų167%0.077%0.07CC..Hα-helixtrans-59-39.5173.1-165175.423.400110.8Y91 M93 Y99 D120 F123Y91-Q95 PolarHBondContact O-N 2.74Å; M93-Q95 PolarHBondContact O-N 3.11Å; Q95-Y99 HydrophobicContact CG-CE1 4.04Å; Q95-Y99 HydrophobicContact CG-CE2 4.06Å; Q95-Y99 PolarHBondContact NE2-OH 2.79Å; Q95-Y99 VanDerWaalsContact NE2-OH 3.17Å; Q95-Y99 WeakPolarHBondContact O-CB 3.35Å; Q95-Y99 PolarHBondContact O-N 3.41Å; Q95-D120 PolarHBondContact NE2-OD1 3.41Å; Q95-F123 HydrophobicContact CB-CD1 3.91Å; Q95-F123 HydrophobicContact CB-CE1 4.14Å; Q95-F123 HydrophobicContact CB-CG 4.35Å
96M95.8Very high95.2Very high4 Ų417 Ų172%0.028%0.076CC..Hα-helixtrans-69-40.2176.1-61.9-56.391.600113.1K92 M93 G94 Y99 D100 A240 V272 N275 V276 F279K92-M96 WeakPolarHBondContact O-CG 3.43Å; K92-M96 PolarHBondContact O-N 3.32Å; M93-M96 CarbonylContact O-C 3.52Å; M93-M96 WeakPolarHBondContact O-CA 3.28Å; M93-M96 WeakPolarHBondContact O-CB 3.38Å; M93-M96 PolarHBondContact O-N 3.05Å; M93-M96 VanDerWaalsContact O-N 3.09Å; G94-M96 PolarHBondContact O-N 3.24Å; M96-Y99 HydrophobicContact CE-CD2 3.46Å; M96-Y99 VanDerWaalsContact CE-CD2 3.46Å; M96-Y99 HydrophobicContact CE-CE2 3.63Å; M96-Y99 HydrophobicContact CE-CG 4.45Å; M96-Y99 HydrophobicContact SD-CD2 4.47Å; M96-D100 VanDerWaalsContact O-CB 3.23Å; M96-D100 WeakPolarHBondContact O-CB 3.49Å; M96-D100 PolarHBondContact O-N 3.17Å; M96-A240 HydrophobicContact CB-CB 4.47Å; M96-V272 HydrophobicContact CB-CG2 3.99Å; M96-V272 HydrophobicContact SD-CB 4.07Å; M96-V272 HydrophobicContact SD-CG2 4.18Å; M96-N275 HydrophobicContact SD-CB 3.53Å; M96-N275 VanDerWaalsContact SD-CB 3.53Å; M96-V276 HydrophobicContact CB-CG2 3.89Å; M96-V276 HydrophobicContact CG-CG2 4.04Å; M96-F279 HydrophobicContact CE-CE2 3.92Å; M96-F279 HydrophobicContact CG-CD2 4.03Å; M96-F279 HydrophobicContact CG-CE2 4.1Å; M96-F279 HydrophobicContact SD-CD2 4.21Å; M96-F279 HydrophobicContact SD-CE2 3.74Å
97F95.9Very high94.7Very high7 Ų719.4 Ų19.43%0.0319%0.089CC..Hα-helixtrans-58.5-48.2172.7-90.5-79000111.4P63 D64 P65 M93 G94 D100 L101 M154 D238 A240P63-F97 HydrophobicContact CB-CD2 4Å; P63-F97 HydrophobicContact CB-CE2 4.04Å; P63-F97 HydrophobicContact CG-CD2 4.42Å; P63-F97 HydrophobicContact CG-CE2 3.95Å; P63-F97 WeakPolarHBondContact O-CD2 3.31Å; D64-F97 HydrophobicContact CB-CE1 4.07Å; D64-F97 HydrophobicContact CB-CE2 4.29Å; D64-F97 HydrophobicContact CB-CZ 3.94Å; P65-F97 HydrophobicContact CG-CD1 4.34Å; M93-F97 WeakPolarHBondContact O-CD2 3.43Å; M93-F97 PolarHBondContact O-N 3.31Å; G94-F97 PolarHBondContact O-N 2.96Å; F97-D100 PolarHBondContact O-N 3.15Å; F97-L101 WeakPolarHBondContact O-CB 3.33Å; F97-L101 PolarHBondContact O-N 3.41Å; F97-M154 HydrophobicContact CE2-SD 4.43Å; F97-M154 HydrophobicContact CZ-SD 4.25Å; F97-D238 HydrophobicContact CE1-CB 3.88Å; F97-D238 HydrophobicContact CZ-CB 3.9Å; F97-D238 WeakPolarHBondContact CZ-OD2 3.37Å; F97-A240 HydrophobicContact CD2-CB 3.95Å; F97-A240 HydrophobicContact CE2-CB 3.79Å
98M95.6Very high94Very high0 Ų020 Ų200%09%0.093CC..Hα-helixtrans-71.2-35.7-177.2-61.4-47.2-70.400113L68 G69 P72 G94 L101 Y102 F114 V119 F123L68-M98 HydrophobicContact CD1-CG 3.85Å; L68-M98 HydrophobicContact CD1-SD 3.75Å; G69-M98 WeakPolarHBondContact O-CE 3.49Å; P72-M98 HydrophobicContact CG-CE 3.8Å; P72-M98 HydrophobicContact CG-CG 4.41Å; G94-M98 WeakPolarHBondContact O-CG 3.4Å; G94-M98 PolarHBondContact O-N 3.5Å; M98-L101 HydrophobicContact CE-CD2 4.21Å; M98-L101 HydrophobicContact SD-CD2 4.19Å; M98-Y102 WeakPolarHBondContact O-CB 3.38Å; M98-Y102 PolarHBondContact O-N 2.99Å; M98-F114 HydrophobicContact CE-CE1 3.93Å; M98-F114 HydrophobicContact CE-CE2 4.04Å; M98-F114 HydrophobicContact CE-CZ 3.48Å; M98-F114 VanDerWaalsContact CE-CZ 3.48Å; M98-V119 HydrophobicContact CB-CG1 3.8Å; M98-V119 HydrophobicContact CB-CG2 3.91Å; M98-F123 HydrophobicContact CG-CE2 4.03Å; M98-F123 HydrophobicContact CG-CZ 4.25Å
99Y95.3Very high93.4Very high54 Ų5419.6 Ų19.621%0.2129%0.09CC..Hα-helixtrans-62.2-46.3170.3-74-5.7000112.3Q95 M96 Q103 L116 V119 D120 V272Q95-Y99 HydrophobicContact CG-CE1 4.04Å; Q95-Y99 HydrophobicContact CG-CE2 4.06Å; Q95-Y99 PolarHBondContact NE2-OH 2.79Å; Q95-Y99 VanDerWaalsContact NE2-OH 3.17Å; Q95-Y99 WeakPolarHBondContact O-CB 3.35Å; Q95-Y99 PolarHBondContact O-N 3.41Å; M96-Y99 HydrophobicContact CE-CD2 3.46Å; M96-Y99 VanDerWaalsContact CE-CD2 3.46Å; M96-Y99 HydrophobicContact CE-CE2 3.63Å; M96-Y99 HydrophobicContact CE-CG 4.45Å; M96-Y99 HydrophobicContact SD-CD2 4.47Å; Y99-Q103 WeakPolarHBondContact O-CB 3.27Å; Y99-Q103 PolarHBondContact O-N 2.97Å; Y99-L116 HydrophobicContact CD1-CD2 3.68Å; Y99-L116 HydrophobicContact CE1-CD2 4.24Å; Y99-L116 HydrophobicContact CG-CD2 4.35Å; Y99-V119 HydrophobicContact CD1-CB 4.49Å; Y99-V119 HydrophobicContact CD1-CG1 4.02Å; Y99-V119 HydrophobicContact CE1-CB 4.36Å; Y99-V119 HydrophobicContact CE1-CG1 3.95Å; Y99-D120 WeakPolarHBondContact CE1-OD1 3.44Å; Y99-D120 PolarHBondContact OH-OD1 3.35Å; Y99-D120 PolarHBondContact OH-OD2 3.22Å; Y99-D120 VanDerWaalsContact OH-OD2 3.14Å; Y99-V272 HydrophobicContact CD2-CG1 4.46Å
100D95.1Very high92.8Very high0 Ų024.7 Ų24.70%012%0.117CC..Hα-helixtrans-70.4-35.9-177.8-166.252.2000112.2M96 F97 Q103 S104 T239 N271 V272 S329M96-D100 VanDerWaalsContact O-CB 3.23Å; M96-D100 WeakPolarHBondContact O-CB 3.49Å; M96-D100 PolarHBondContact O-N 3.17Å; F97-D100 PolarHBondContact O-N 3.15Å; D100-Q103 PolarHBondContact O-N 2.76Å; D100-S104 WeakPolarHBondContact O-CA 3.13Å; D100-S104 WeakPolarHBondContact O-CB 3.3Å; D100-S104 PolarHBondContact O-N 2.64Å; D100-S104 PolarHBondContact O-OG 3.01Å; D100-T239 HydrophobicContact CB-CG2 3.49Å; D100-T239 VanDerWaalsContact CB-CG2 3.49Å; D100-T239 WeakPolarHBondContact OD2-CB 3.31Å; D100-T239 VanDerWaalsContact OD2-CG2 3.22Å; D100-T239 WeakPolarHBondContact OD2-CG2 3.33Å; D100-T239 PolarHBondContact OD2-OG1 2.9Å; D100-N271 VanDerWaalsContact OD1-CB 3.3Å; D100-N271 WeakPolarHBondContact OD1-CB 3.4Å; D100-N271 PolarHBondContact OD1-N 2.89Å; D100-N271 PolarHBondContact OD1-ND2 2.88Å; D100-V272 HydrophobicContact CB-CG2 3.98Å; D100-S329 WeakPolarHBondContact OD2-CB 3.41Å; D100-S329 PolarHBondContact OD2-OG 3.47Å
101L93.7Very high92.3Very high6 Ų625.4 Ų25.43%0.03112%0.12CC..Hα-helixtrans-70.5-38.3175179.860000112.7F40 P65 F97 M98 S104F40-L101 HydrophobicContact CE2-CD1 4.37Å; F40-L101 HydrophobicContact CZ-CD1 4.12Å; F40-L101 HydrophobicContact CZ-CD2 3.9Å; F40-L101 HydrophobicContact CZ-CG 4.07Å; P65-L101 HydrophobicContact CB-CD2 3.9Å; P65-L101 HydrophobicContact CG-CD2 3.67Å; F97-L101 WeakPolarHBondContact O-CB 3.33Å; F97-L101 PolarHBondContact O-N 3.41Å; M98-L101 HydrophobicContact CE-CD2 4.21Å; M98-L101 HydrophobicContact SD-CD2 4.19Å; L101-S104 PolarHBondContact O-OG 3.07Å; L101-S104 VanDerWaalsContact O-OG 3.1Å
102Y94Very high91.7Very high36 Ų3630.5 Ų30.514%0.14115%0.149CC..Hα-helixtrans-62.6-50.2169.8176.5-92.2000110.3M98 R105 N106 F111 F114 L116M98-Y102 WeakPolarHBondContact O-CB 3.38Å; M98-Y102 PolarHBondContact O-N 2.99Å; Y102-R105 PolarHBondContact O-N 2.83Å; Y102-N106 HydrophobicContact CD1-CB 4.41Å; Y102-N106 HydrophobicContact CE1-CB 4.09Å; Y102-N106 VanDerWaalsContact O-CB 3.22Å; Y102-N106 WeakPolarHBondContact O-CB 3.32Å; Y102-N106 PolarHBondContact O-N 3.3Å; Y102-F111 AromaticContact CD2-CD1 3.7Å; Y102-F111 HydrophobicContact CD2-CD1 3.7Å; Y102-F111 HydrophobicContact CD2-CE1 4.08Å; Y102-F111 AromaticContact CE2-CD1 3.99Å; Y102-F111 HydrophobicContact CE2-CD1 3.99Å; Y102-F114 HydrophobicContact CD2-CD2 4.43Å; Y102-F114 HydrophobicContact CD2-CE2 4.29Å; Y102-F114 VanDerWaalsContact CD2-O 3.27Å; Y102-F114 WeakPolarHBondContact CD2-O 3.29Å; Y102-F114 WeakPolarHBondContact CE2-O 3.29Å; Y102-L116 HydrophobicContact CD1-CD1 4.21Å; Y102-L116 HydrophobicContact CD1-CD2 3.58Å; Y102-L116 HydrophobicContact CD1-CG 3.69Å; Y102-L116 HydrophobicContact CE1-CD1 4.19Å; Y102-L116 HydrophobicContact CE1-CD2 4.28Å; Y102-L116 HydrophobicContact CE1-CG 3.86Å; Y102-L116 HydrophobicContact CG-CD2 3.88Å; Y102-L116 HydrophobicContact CG-CG 4.25Å
103Q92.4Very high91.4Very high65 Ų6530.4 Ų30.430%0.30415%0.15SC..Hα-helixtrans-73.3-34.3-174.1-168.466.4-5.800112.8Y99 D100 R105 N106 N107 N271Y99-Q103 WeakPolarHBondContact O-CB 3.27Å; Y99-Q103 PolarHBondContact O-N 2.97Å; D100-Q103 PolarHBondContact O-N 2.76Å; Q103-R105 PolarHBondContact O-N 3Å; Q103-N106 PolarHBondContact O-N 3.43Å; Q103-N106 PolarHBondContact OE1-ND2 3.32Å; Q103-N107 PolarHBondContact NE2-OD1 3.17Å; Q103-N107 WeakPolarHBondContact O-CB 3.32Å; Q103-N107 PolarHBondContact O-N 2.93Å; Q103-N107 PolarHBondContact O-ND2 3.44Å; Q103-N107 PolarHBondContact O-OD1 3.11Å; Q103-N271 HydrophobicContact CB-CB 4.24Å; Q103-N271 HydrophobicContact CG-CB 4.08Å; Q103-N271 WeakPolarHBondContact CG-OD1 3.5Å
104S91.5Very high91.1Very high0 Ų030.4 Ų30.40%015%0.15CC..Hα-helixtrans-60.3-33.3175.270.70000112.6D100 L101 S335 G336D100-S104 WeakPolarHBondContact O-CA 3.13Å; D100-S104 WeakPolarHBondContact O-CB 3.3Å; D100-S104 PolarHBondContact O-N 2.64Å; D100-S104 PolarHBondContact O-OG 3.01Å; L101-S104 PolarHBondContact O-OG 3.07Å; L101-S104 VanDerWaalsContact O-OG 3.1Å; S104-S335 PolarHBondContact OG-OG 2.75Å; S104-G336 PolarHBondContact O-N 3.21Å
105R90.2Very high90.9Very high22 Ų2233 Ų338%0.08317%0.166CC..Hα-helixtrans-87.3-44.8176.3-69.7-175.8171.7-101.72.5112.4E38 F40 Y102 Q103 N107 T108 E109 F111E38-R105 PolarHBondContact O-NH2 2.94Å; F40-R105 VanDerWaalsContact CE2-NE 3.33Å; Y102-R105 PolarHBondContact O-N 2.83Å; Q103-R105 PolarHBondContact O-N 3Å; R105-N107 PolarHBondContact O-N 3.12Å; R105-N107 VanDerWaalsContact O-N 3.12Å; R105-T108 PolarHBondContact O-N 2.83Å; R105-T108 PolarHBondContact O-OG1 3.31Å; R105-E109 HydrophobicContact CB-CG 4.09Å; R105-E109 WeakPolarHBondContact CD-OE1 3.01Å; R105-E109 IonicContact CZ-OE1 2.75Å; R105-E109 IonicContact NH1-OE1 3.88Å; R105-E109 PolarHBondContact NH1-OE1 3.26Å; R105-E109 WeakPolarHBondContact O-CG 3.46Å; R105-E109 PolarHBondContact O-N 3.43Å; R105-E109 VanDerWaalsContact O-O 3.14Å; R105-F111 HydrophobicContact CB-CB 3.99Å; R105-F111 HydrophobicContact CB-CD2 3.79Å; R105-F111 HydrophobicContact CB-CG 3.97Å; R105-F111 HydrophobicContact CG-CD2 4.32Å
106N90.2Very high90.8Very high39 Ų3935.4 Ų35.421%0.20918%0.179CC..Hα-helixtrans-53.6-34.4172.8-176.834.6000111.8Y102 Q103 T108 R384Y102-N106 HydrophobicContact CD1-CB 4.41Å; Y102-N106 HydrophobicContact CE1-CB 4.09Å; Y102-N106 VanDerWaalsContact O-CB 3.22Å; Y102-N106 WeakPolarHBondContact O-CB 3.32Å; Y102-N106 PolarHBondContact O-N 3.3Å; Q103-N106 PolarHBondContact O-N 3.43Å; Q103-N106 PolarHBondContact OE1-ND2 3.32Å; N106-T108 VanDerWaalsContact C-N 3.32Å; N106-T108 PolarHBondContact O-N 3.26Å; N106-R384 VanDerWaalsContact O-CZ 3.25Å; N106-R384 PolarHBondContact O-NE 3Å; N106-R384 PolarHBondContact O-NH2 2.86Å; N106-R384 VanDerWaalsContact O-NH2 3.16Å; N106-R384 PolarHBondContact OD1-NH2 3.32Å
107N86.5Confident90.7Very high50 Ų5041 Ų4127%0.26721%0.209SC..THydrogen-bonded Turntrans-66.4-23.7174.8-71.8-15.2000114.7Q103 R105 N271 R384Q103-N107 PolarHBondContact NE2-OD1 3.17Å; Q103-N107 WeakPolarHBondContact O-CB 3.32Å; Q103-N107 PolarHBondContact O-N 2.93Å; Q103-N107 PolarHBondContact O-ND2 3.44Å; Q103-N107 PolarHBondContact O-OD1 3.11Å; R105-N107 PolarHBondContact O-N 3.12Å; R105-N107 VanDerWaalsContact O-N 3.12Å; N107-N271 PolarHBondContact ND2-OD1 3.46Å; N107-R384 WeakPolarHBondContact O-CB 3.25Å
108T83.3Confident90.7Very high13 Ų1341.3 Ų41.38%0.0821%0.211CC..THydrogen-bonded Turntrans-113.5-38.9-17558.50000113.4R105 N106 C524R105-T108 PolarHBondContact O-N 2.83Å; R105-T108 PolarHBondContact O-OG1 3.31Å; N106-T108 VanDerWaalsContact C-N 3.32Å; N106-T108 PolarHBondContact O-N 3.26Å; T108-C524 WeakPolarHBondContact O-CB 3.35Å; T108-C524 PolarHBondContact O-SG 2.86Å
109E85.4Confident90.7Very high32 Ų3241.3 Ų41.315%0.1521%0.211CC..SBendtrans-131.1172.6-17463.2-171.7-173.900112.1R105 F111 R382 R384 C524R105-E109 HydrophobicContact CB-CG 4.09Å; R105-E109 WeakPolarHBondContact CD-OE1 3.01Å; R105-E109 IonicContact CZ-OE1 2.75Å; R105-E109 IonicContact NH1-OE1 3.88Å; R105-E109 PolarHBondContact NH1-OE1 3.26Å; R105-E109 WeakPolarHBondContact O-CG 3.46Å; R105-E109 PolarHBondContact O-N 3.43Å; R105-E109 VanDerWaalsContact O-O 3.14Å; E109-F111 PolarHBondContact O-N 3.26Å; E109-R382 IonicContact OE2-CZ 3.63Å; E109-R382 IonicContact OE2-NE 3.76Å; E109-R382 IonicContact OE2-NH1 3.42Å; E109-R382 PolarHBondContact OE2-NH1 2.88Å; E109-R384 PolarHBondContact O-NH2 3.47Å; E109-C524 VanDerWaalsContact C-SG 3.51Å; E109-C524 VanDerWaalsContact CA-SG 3.55Å
110D83.8Confident90.7Very high108 Ų10841.1 Ų41.158%0.57821%0.214SC*.  trans-93.680.1177.2-152.258.6000109.8N112 R384D110-N112 PolarHBondContact O-N 3.45Å; D110-N112 PolarHBondContact O-ND2 2.92Å; D110-N112 PolarHBondContact OD2-ND2 2.83Å; D110-R384 IonicContact OD1-NH1 2.75Å; D110-R384 IonicContact OD1-NH2 2.74Å; D110-R384 PolarHBondContact OD1-NH2 3.21Å; D110-R384 VanDerWaalsContact OD1-NH2 3.17Å
111F86.4Confident90.6Very high15 Ų1544.7 Ų44.77%0.06624%0.238CC..  trans-77.2106.8-171.4-171.4-95.5000111.6F40 Y102 R105 E109 L113 F114F40-F111 HydrophobicContact CD1-CE2 4.47Å; F40-F111 HydrophobicContact CD1-CZ 4.36Å; F40-F111 HydrophobicContact CE1-CE2 4.3Å; F40-F111 AromaticContact CE1-CZ 3.96Å; F40-F111 HydrophobicContact CE1-CZ 3.96Å; F40-F111 HydrophobicContact CE2-CE2 4.4Å; F40-F111 HydrophobicContact CZ-CE2 4.24Å; F40-F111 HydrophobicContact CZ-CZ 4.14Å; Y102-F111 AromaticContact CD2-CD1 3.7Å; Y102-F111 HydrophobicContact CD2-CD1 3.7Å; Y102-F111 HydrophobicContact CD2-CE1 4.08Å; Y102-F111 AromaticContact CE2-CD1 3.99Å; Y102-F111 HydrophobicContact CE2-CD1 3.99Å; R105-F111 HydrophobicContact CB-CB 3.99Å; R105-F111 HydrophobicContact CB-CD2 3.79Å; R105-F111 HydrophobicContact CB-CG 3.97Å; R105-F111 HydrophobicContact CG-CD2 4.32Å; E109-F111 PolarHBondContact O-N 3.26Å; F111-L113 HydrophobicContact CE1-CB 4.1Å; F111-L113 HydrophobicContact CE2-CB 4.3Å; F111-L113 HydrophobicContact CE2-CD1 3.78Å; F111-L113 HydrophobicContact CE2-CG 3.99Å; F111-L113 HydrophobicContact CZ-CB 3.81Å; F111-L113 HydrophobicContact CZ-CD1 3.93Å; F111-L113 HydrophobicContact CZ-CG 4.02Å; F111-F114 AromaticContact CE1-CD1 3.78Å; F111-F114 HydrophobicContact CE1-CD1 3.78Å; F111-F114 HydrophobicContact CE1-CD2 4.44Å; F111-F114 AromaticContact CE1-CE1 3.59Å; F111-F114 HydrophobicContact CE1-CE1 3.59Å; F111-F114 HydrophobicContact CE1-CE2 4.28Å; F111-F114 HydrophobicContact CE1-CG 4.2Å; F111-F114 AromaticContact CE1-CZ 3.85Å; F111-F114 HydrophobicContact CE1-CZ 3.85Å; F111-F114 AromaticContact CZ-CD1 3.95Å; F111-F114 HydrophobicContact CZ-CD1 3.95Å; F111-F114 AromaticContact CZ-CE1 3.55Å; F111-F114 HydrophobicContact CZ-CE1 3.55Å; F111-F114 HydrophobicContact CZ-CZ 4.1Å
112N84.9Confident90.7Very high125 Ų12544.4 Ų44.467%0.66824%0.237SC*.  trans-116.112.3-171.6-76.1-82.9000114D110D110-N112 PolarHBondContact O-N 3.45Å; D110-N112 PolarHBondContact O-ND2 2.92Å; D110-N112 PolarHBondContact OD2-ND2 2.83Å
113L89.3Confident90.8Very high47 Ų4742.8 Ų42.825%0.24623%0.23CC..SBendtrans-74.5-49.7-176.2-57.4-174.3000112.3W36 F40 M42 Y73 F111W36-L113 HydrophobicContact CH2-CB 4.24Å; W36-L113 HydrophobicContact CH2-CD1 3.92Å; W36-L113 HydrophobicContact CZ2-CD1 4.3Å; W36-L113 HydrophobicContact CZ3-CB 4.49Å; W36-L113 HydrophobicContact CZ3-CD1 4.44Å; F40-L113 HydrophobicContact CB-CD1 3.6Å; F40-L113 HydrophobicContact CD1-CD1 3.56Å; F40-L113 HydrophobicContact CE1-CD1 4.46Å; F40-L113 HydrophobicContact CG-CD1 3.72Å; M42-L113 HydrophobicContact CE-CD1 4.16Å; M42-L113 HydrophobicContact CE-CD2 3.69Å; Y73-L113 VanDerWaalsContact CD2-O 3.29Å; Y73-L113 WeakPolarHBondContact CD2-O 3.4Å; F111-L113 HydrophobicContact CE1-CB 4.1Å; F111-L113 HydrophobicContact CE2-CB 4.3Å; F111-L113 HydrophobicContact CE2-CD1 3.78Å; F111-L113 HydrophobicContact CE2-CG 3.99Å; F111-L113 HydrophobicContact CZ-CB 3.81Å; F111-L113 HydrophobicContact CZ-CD1 3.93Å; F111-L113 HydrophobicContact CZ-CG 4.02Å
114F91.1Very high90.9Very high1 Ų145.7 Ų45.70%0.00425%0.248CC..  trans-142156.2172.764.8-95.2000109.2W36 F40 P72 M98 Y102 F111 D118 V119W36-F114 HydrophobicContact CZ3-CD1 4.29Å; F40-F114 AromaticContact CE1-CE1 4Å; F40-F114 HydrophobicContact CE1-CE1 4Å; P72-F114 HydrophobicContact CB-CB 4.06Å; P72-F114 HydrophobicContact CB-CD2 3.99Å; P72-F114 HydrophobicContact CB-CG 3.98Å; P72-F114 HydrophobicContact CG-CD2 4.41Å; M98-F114 HydrophobicContact CE-CE1 3.93Å; M98-F114 HydrophobicContact CE-CE2 4.04Å; M98-F114 HydrophobicContact CE-CZ 3.48Å; M98-F114 VanDerWaalsContact CE-CZ 3.48Å; Y102-F114 HydrophobicContact CD2-CD2 4.43Å; Y102-F114 HydrophobicContact CD2-CE2 4.29Å; Y102-F114 VanDerWaalsContact CD2-O 3.27Å; Y102-F114 WeakPolarHBondContact CD2-O 3.29Å; Y102-F114 WeakPolarHBondContact CE2-O 3.29Å; F111-F114 AromaticContact CE1-CD1 3.78Å; F111-F114 HydrophobicContact CE1-CD1 3.78Å; F111-F114 HydrophobicContact CE1-CD2 4.44Å; F111-F114 AromaticContact CE1-CE1 3.59Å; F111-F114 HydrophobicContact CE1-CE1 3.59Å; F111-F114 HydrophobicContact CE1-CE2 4.28Å; F111-F114 HydrophobicContact CE1-CG 4.2Å; F111-F114 AromaticContact CE1-CZ 3.85Å; F111-F114 HydrophobicContact CE1-CZ 3.85Å; F111-F114 AromaticContact CZ-CD1 3.95Å; F111-F114 HydrophobicContact CZ-CD1 3.95Å; F111-F114 AromaticContact CZ-CE1 3.55Å; F111-F114 HydrophobicContact CZ-CE1 3.55Å; F111-F114 HydrophobicContact CZ-CZ 4.1Å; F114-D118 HydrophobicContact CB-CB 4.08Å; F114-V119 HydrophobicContact CD2-CG2 3.75Å; F114-V119 HydrophobicContact CE2-CG2 3.72Å
115T93.3Very high91Very high53 Ų5348.9 Ų48.933%0.32526%0.262SS..  trans-105.5170.4177.962.10000111.2D117 D118 V119T115-D117 PolarHBondContact O-N 2.69Å; T115-D117 PolarHBondContact OG1-N 2.79Å; T115-D118 WeakPolarHBondContact CB-OD2 3.4Å; T115-D118 PolarHBondContact N-OD2 3.18Å; T115-D118 WeakPolarHBondContact O-CB 3.29Å; T115-D118 PolarHBondContact O-N 3.44Å; T115-D118 VanDerWaalsContact O-N 3.17Å; T115-D118 PolarHBondContact OG1-N 3.31Å; T115-D118 VanDerWaalsContact OG1-N 3.16Å; T115-D118 PolarHBondContact OG1-OD2 3.31Å; T115-V119 PolarHBondContact O-N 3.17Å; T115-V119 VanDerWaalsContact O-N 3.14Å
116L93.6Very high91.4Very high66 Ų6648.3 Ų48.335%0.34626%0.26SS..Hα-helixtrans-60.5-34.9170.2-62.5175.1000111.7Y99 Y102 D118 V119 D120Y99-L116 HydrophobicContact CD1-CD2 3.68Å; Y99-L116 HydrophobicContact CE1-CD2 4.24Å; Y99-L116 HydrophobicContact CG-CD2 4.35Å; Y102-L116 HydrophobicContact CD1-CD1 4.21Å; Y102-L116 HydrophobicContact CD1-CD2 3.58Å; Y102-L116 HydrophobicContact CD1-CG 3.69Å; Y102-L116 HydrophobicContact CE1-CD1 4.19Å; Y102-L116 HydrophobicContact CE1-CD2 4.28Å; Y102-L116 HydrophobicContact CE1-CG 3.86Å; Y102-L116 HydrophobicContact CG-CD2 3.88Å; Y102-L116 HydrophobicContact CG-CG 4.25Å; L116-D118 VanDerWaalsContact C-N 3.33Å; L116-D118 PolarHBondContact O-N 2.89Å; L116-V119 WeakPolarHBondContact O-CB 3.46Å; L116-V119 PolarHBondContact O-N 3.36Å; L116-V119 VanDerWaalsContact O-N 3.11Å; L116-D120 PolarHBondContact O-N 2.98Å
117D93.9Very high91.7Very high121 Ų12151 Ų5165%0.64727%0.271SS*.Hα-helixtrans-63.4-37.9174.8-51.6-41.3000111.7T115 V119 D120 C121T115-D117 PolarHBondContact O-N 2.69Å; T115-D117 PolarHBondContact OG1-N 2.79Å; D117-V119 VanDerWaalsContact C-N 3.33Å; D117-D120 PolarHBondContact O-N 2.68Å; D117-C121 VanDerWaalsContact O-CB 3.28Å; D117-C121 WeakPolarHBondContact O-CB 3.29Å; D117-C121 PolarHBondContact O-N 3.03Å; D117-C121 PolarHBondContact O-SG 3.22Å
118D94.3Very high92.2Very high15 Ų1552.9 Ų52.98%0.0828%0.279CS..Hα-helixtrans-66-34.5173.4-65.3-69.7000111.8P72 K77 F114 T115 L116 A122P72-D118 HydrophobicContact CB-CB 4.25Å; K77-D118 IonicContact NZ-OD1 2.76Å; K77-D118 PolarHBondContact NZ-OD1 2.91Å; K77-D118 IonicContact NZ-OD2 2.76Å; K77-D118 PolarHBondContact NZ-OD2 3.46Å; F114-D118 HydrophobicContact CB-CB 4.08Å; T115-D118 WeakPolarHBondContact CB-OD2 3.4Å; T115-D118 PolarHBondContact N-OD2 3.18Å; T115-D118 WeakPolarHBondContact O-CB 3.29Å; T115-D118 PolarHBondContact O-N 3.44Å; T115-D118 VanDerWaalsContact O-N 3.17Å; T115-D118 PolarHBondContact OG1-N 3.31Å; T115-D118 VanDerWaalsContact OG1-N 3.16Å; T115-D118 PolarHBondContact OG1-OD2 3.31Å; L116-D118 VanDerWaalsContact C-N 3.33Å; L116-D118 PolarHBondContact O-N 2.89Å; D118-A122 WeakPolarHBondContact O-CB 3.3Å; D118-A122 PolarHBondContact O-N 3.06Å; D118-A122 VanDerWaalsContact O-N 3.16Å
119V95.6Very high92.9Very high0 Ų052.5 Ų52.50%028%0.276CS..Hα-helixtrans-64.8-52.2174.5177.40000109.8P72 M98 Y99 F114 T115 L116 D117 C121 A122 F123P72-V119 HydrophobicContact CB-CG2 4.09Å; P72-V119 HydrophobicContact CG-CB 4.49Å; P72-V119 HydrophobicContact CG-CG2 3.89Å; M98-V119 HydrophobicContact CB-CG1 3.8Å; M98-V119 HydrophobicContact CB-CG2 3.91Å; Y99-V119 HydrophobicContact CD1-CB 4.49Å; Y99-V119 HydrophobicContact CD1-CG1 4.02Å; Y99-V119 HydrophobicContact CE1-CB 4.36Å; Y99-V119 HydrophobicContact CE1-CG1 3.95Å; F114-V119 HydrophobicContact CD2-CG2 3.75Å; F114-V119 HydrophobicContact CE2-CG2 3.72Å; T115-V119 PolarHBondContact O-N 3.17Å; T115-V119 VanDerWaalsContact O-N 3.14Å; L116-V119 WeakPolarHBondContact O-CB 3.46Å; L116-V119 PolarHBondContact O-N 3.36Å; L116-V119 VanDerWaalsContact O-N 3.11Å; D117-V119 VanDerWaalsContact C-N 3.33Å; V119-C121 PolarHBondContact O-N 3.48Å; V119-A122 WeakPolarHBondContact O-CB 3.29Å; V119-A122 PolarHBondContact O-N 2.82Å; V119-A122 VanDerWaalsContact O-N 3.1Å; V119-F123 HydrophobicContact CG1-CD2 3.81Å; V119-F123 HydrophobicContact CG1-CE2 4.09Å; V119-F123 WeakPolarHBondContact O-CD2 3.42Å; V119-F123 PolarHBondContact O-N 2.65Å
120D95.4Very high93.4Very high50 Ų5055.5 Ų55.527%0.26729%0.289SS..Hα-helixtrans-66.1-40.5-177.3-71-20.6000111.7Q95 Y99 L116 D117 A122 F123 D124Q95-D120 PolarHBondContact NE2-OD1 3.41Å; Y99-D120 WeakPolarHBondContact CE1-OD1 3.44Å; Y99-D120 PolarHBondContact OH-OD1 3.35Å; Y99-D120 PolarHBondContact OH-OD2 3.22Å; Y99-D120 VanDerWaalsContact OH-OD2 3.14Å; L116-D120 PolarHBondContact O-N 2.98Å; D117-D120 PolarHBondContact O-N 2.68Å; D120-A122 PolarHBondContact O-N 3.3Å; D120-F123 PolarHBondContact O-N 3.33Å; D120-D124 WeakPolarHBondContact O-CB 3.45Å; D120-D124 PolarHBondContact O-N 2.82Å
121C94Very high94Very high75 Ų7553.2 Ų53.251%0.50727%0.273SS..Hα-helixtrans-60.8-26.4173-70.60000113.9D117 V119D117-C121 VanDerWaalsContact O-CB 3.28Å; D117-C121 WeakPolarHBondContact O-CB 3.29Å; D117-C121 PolarHBondContact O-N 3.03Å; D117-C121 PolarHBondContact O-SG 3.22Å; V119-C121 PolarHBondContact O-N 3.48Å
122A95Very high94.4Very high0 Ų056.4 Ų56.40%030%0.296CS..Hα-helixtrans-83.1-44.7174.800000112.3L71 V75 D118 V119 D120 K125L71-A122 HydrophobicContact CD2-CB 4.46Å; L71-A122 HydrophobicContact CG-CB 4.21Å; V75-A122 HydrophobicContact CB-CB 3.89Å; V75-A122 HydrophobicContact CG1-CB 4.31Å; V75-A122 HydrophobicContact CG2-CB 3.93Å; D118-A122 WeakPolarHBondContact O-CB 3.3Å; D118-A122 PolarHBondContact O-N 3.06Å; D118-A122 VanDerWaalsContact O-N 3.16Å; V119-A122 WeakPolarHBondContact O-CB 3.29Å; V119-A122 PolarHBondContact O-N 2.82Å; V119-A122 VanDerWaalsContact O-N 3.1Å; D120-A122 PolarHBondContact O-N 3.3Å; A122-K125 PolarHBondContact O-N 2.97Å
123F96.1Very high94.9Very high1 Ų154 Ų540%0.00428%0.281CS..Hα-helixtrans-72.1-31.5-177-85.2-102.2000112.5L68 Y91 G94 Q95 M98 V119 D120 K125 I126L68-F123 HydrophobicContact CD1-CZ 4.18Å; L68-F123 HydrophobicContact CD2-CE1 4.45Å; L68-F123 HydrophobicContact CD2-CZ 4.01Å; Y91-F123 HydrophobicContact CD2-CB 4.31Å; Y91-F123 AromaticContact CD2-CD1 3.8Å; Y91-F123 HydrophobicContact CD2-CD1 3.8Å; Y91-F123 HydrophobicContact CE2-CB 3.97Å; Y91-F123 HydrophobicContact CE2-CD1 4.23Å; Y91-F123 VanDerWaalsContact CE2-O 3.28Å; Y91-F123 WeakPolarHBondContact CE2-O 3.32Å; Y91-F123 VanDerWaalsContact O-CD1 3.26Å; Y91-F123 WeakPolarHBondContact O-CD1 3.48Å; Y91-F123 WeakPolarHBondContact O-CE1 3.36Å; G94-F123 VanDerWaalsContact C-CE1 3.48Å; Q95-F123 HydrophobicContact CB-CD1 3.91Å; Q95-F123 HydrophobicContact CB-CE1 4.14Å; Q95-F123 HydrophobicContact CB-CG 4.35Å; M98-F123 HydrophobicContact CG-CE2 4.03Å; M98-F123 HydrophobicContact CG-CZ 4.25Å; V119-F123 HydrophobicContact CG1-CD2 3.81Å; V119-F123 HydrophobicContact CG1-CE2 4.09Å; V119-F123 WeakPolarHBondContact O-CD2 3.42Å; V119-F123 PolarHBondContact O-N 2.65Å; D120-F123 PolarHBondContact O-N 3.33Å; F123-K125 PolarHBondContact O-N 3.13Å; F123-I126 HydrophobicContact CB-CD1 4.37Å; F123-I126 HydrophobicContact CD1-CD1 3.68Å; F123-I126 HydrophobicContact CE1-CD1 3.99Å; F123-I126 HydrophobicContact CG-CD1 3.99Å; F123-I126 VanDerWaalsContact O-CB 3.28Å; F123-I126 WeakPolarHBondContact O-CB 3.16Å; F123-I126 WeakPolarHBondContact O-CG1 3.48Å; F123-I126 PolarHBondContact O-N 3.48Å
124D94.8Very high95.2Very high127 Ų12757.2 Ų57.268%0.67930%0.297SS*.THydrogen-bonded Turntrans-67.2-17.5174.8-83.9-4.5000114.1D120 I126D120-D124 WeakPolarHBondContact O-CB 3.45Å; D120-D124 PolarHBondContact O-N 2.82Å; D124-I126 VanDerWaalsContact C-N 3.29Å
125K94.6Very high95.4Very high66 Ų6658.3 Ų58.329%0.28730%0.304SS..THydrogen-bonded Turntrans-80.4-5.7171.4-65.3-170.8-169.5-168.30113.6V75 L80 N81 I84 A122 F123V75-K125 HydrophobicContact CG1-CD 3.96Å; L80-K125 PolarHBondContact O-NZ 2.82Å; N81-K125 PolarHBondContact OD1-NZ 3.44Å; I84-K125 HydrophobicContact CD1-CB 3.88Å; A122-K125 PolarHBondContact O-N 2.97Å; F123-K125 PolarHBondContact O-N 3.13Å
126I97Very high95.5Very high10 Ų1061.2 Ų61.25%0.05132%0.318CS..EExtended strand (participates in β ladder)trans-83.5119-172.9-57.9-177.2000111.9L60 L71 I84 A86 Y91 F123 D124 Q128L60-I126 HydrophobicContact CD1-CD1 4.06Å; L71-I126 HydrophobicContact CD2-CD1 4.02Å; I84-I126 HydrophobicContact CB-CG1 4.04Å; I84-I126 HydrophobicContact CD1-CG1 4.36Å; I84-I126 HydrophobicContact CG2-CD1 4.28Å; I84-I126 HydrophobicContact CG2-CG1 3.77Å; I84-I126 HydrophobicContact CG2-CG2 4.43Å; A86-I126 HydrophobicContact CB-CG2 3.63Å; Y91-I126 HydrophobicContact CD2-CB 4.05Å; Y91-I126 HydrophobicContact CD2-CD1 4.28Å; Y91-I126 HydrophobicContact CD2-CG2 4.31Å; F123-I126 HydrophobicContact CB-CD1 4.37Å; F123-I126 HydrophobicContact CD1-CD1 3.68Å; F123-I126 HydrophobicContact CE1-CD1 3.99Å; F123-I126 HydrophobicContact CG-CD1 3.99Å; F123-I126 VanDerWaalsContact O-CB 3.28Å; F123-I126 WeakPolarHBondContact O-CB 3.16Å; F123-I126 WeakPolarHBondContact O-CG1 3.48Å; F123-I126 PolarHBondContact O-N 3.48Å; D124-I126 VanDerWaalsContact C-N 3.29Å; I126-Q128 PolarHBondContact O-N 2.96Å
127Q96.9Very high95.4Very high95 Ų9558.6 Ų58.644%0.44430%0.304SS..EExtended strand (participates in β ladder)trans-79.4105.3170.3-62-172.527.500109.7I84 Y85 A86I84-Q127 PolarHBondContact O-N 3.48Å; Y85-Q127 HydrophobicContact CD1-CB 3.83Å; Y85-Q127 HydrophobicContact CE1-CB 3.95Å; Y85-Q127 HydrophobicContact CE1-CG 4.35Å; A86-Q127 PolarHBondContact N-O 3.12Å
128Q97.3Very high95.1Very high90 Ų9061.6 Ų61.642%0.42131%0.311SS..EExtended strand (participates in β ladder)trans-75120.8-177.4-66.5163.760.100111.8A86 I88 Y91 I126A86-Q128 CarbonylContact O-C 3.54Å; A86-Q128 WeakPolarHBondContact O-CA 3.46Å; I88-Q128 HydrophobicContact CG1-CB 4.11Å; Y91-Q128 HydrophobicContact CD1-CG 3.62Å; Y91-Q128 HydrophobicContact CD2-CG 4.38Å; Y91-Q128 VanDerWaalsContact CE1-CD 3.42Å; Y91-Q128 HydrophobicContact CE1-CG 4.24Å; Y91-Q128 HydrophobicContact CG-CG 3.72Å; I126-Q128 PolarHBondContact O-N 2.96Å
129L97.6Very high94.7Very high6 Ų664 Ų643%0.03134%0.34CS..EExtended strand (participates in β ladder)trans-109.2161.8-179.5-52.8-168.4000112.6Y85 A86 T87 I88 V135 P148 W160 W286Y85-L129 HydrophobicContact CD1-CD1 4.21Å; Y85-L129 HydrophobicContact CD1-CD2 4.34Å; Y85-L129 HydrophobicContact CD1-CG 4.48Å; A86-L129 PolarHBondContact O-N 3.46Å; T87-L129 WeakPolarHBondContact CA-O 3.45Å; I88-L129 PolarHBondContact N-O 3.22Å; L129-V135 HydrophobicContact CD1-CG2 3.83Å; L129-V135 HydrophobicContact CD2-CG2 3.68Å; L129-V135 HydrophobicContact CG-CG2 4.42Å; L129-P148 HydrophobicContact CB-CG 4.11Å; L129-P148 HydrophobicContact CD1-CG 4.16Å; L129-W160 HydrophobicContact CD1-CH2 3.79Å; L129-W160 HydrophobicContact CD1-CZ3 3.95Å; L129-W286 WeakPolarHBondContact O-CH2 3.5Å
130K97.1Very high94Very high95 Ų9570.3 Ų70.341%0.41337%0.367SS..  trans-101.1154.2164.7-61.8-149.9176.9-154.90111.2I88 Q133 P148 E285 W286I88-K130 HydrophobicContact CD1-CG 4.19Å; K130-Q133 WeakPolarHBondContact O-CB 3.49Å; K130-Q133 PolarHBondContact O-N 3.39Å; K130-Q133 VanDerWaalsContact O-N 3.16Å; K130-P148 WeakPolarHBondContact O-CG 3.33Å; K130-E285 IonicContact NZ-OE1 2.93Å; K130-E285 PolarHBondContact NZ-OE1 3Å; K130-E285 IonicContact NZ-OE2 2.78Å; K130-W286 HydrophobicContact CB-CZ2 4.45Å; K130-W286 HydrophobicContact CG-CZ2 4.23Å
131Y95.9Very high93.4Very high60 Ų6068 Ų6824%0.23536%0.355CS..THydrogen-bonded Turntrans-55.1144.1172.8-66.6-48.7000111.3T87 Q133 P148 P150 G156 G157 T158 W286T87-Y131 HydrophobicContact CG2-CD1 4.27Å; T87-Y131 HydrophobicContact CG2-CE1 4.28Å; Y131-Q133 PolarHBondContact O-N 3.11Å; Y131-Q133 VanDerWaalsContact O-N 3.1Å; Y131-P148 CarbonylContact C-O 3.58Å; Y131-P148 WeakPolarHBondContact CA-O 3.14Å; Y131-P150 HydrophobicContact CD1-CB 4.21Å; Y131-P150 HydrophobicContact CD2-CB 4.27Å; Y131-P150 HydrophobicContact CE1-CB 3.83Å; Y131-P150 HydrophobicContact CE2-CB 3.88Å; Y131-P150 HydrophobicContact CG-CB 4.42Å; Y131-G156 VanDerWaalsContact OH-CA 3.25Å; Y131-G156 WeakPolarHBondContact OH-CA 3.28Å; Y131-G157 PolarHBondContact OH-O 3.19Å; Y131-T158 HydrophobicContact CE1-CG2 4.16Å; Y131-W286 AromaticContact CD1-CZ3 3.84Å; Y131-W286 HydrophobicContact CD1-CZ3 3.84Å; Y131-W286 AromaticContact CD2-CE3 3.69Å; Y131-W286 HydrophobicContact CD2-CE3 3.69Å; Y131-W286 AromaticContact CD2-CZ3 3.6Å; Y131-W286 HydrophobicContact CD2-CZ3 3.6Å; Y131-W286 HydrophobicContact CE1-CE3 4.26Å; Y131-W286 AromaticContact CE1-CZ3 3.77Å; Y131-W286 HydrophobicContact CE1-CZ3 3.77Å; Y131-W286 HydrophobicContact CE2-CD2 4.44Å; Y131-W286 AromaticContact CE2-CE3 3.31Å; Y131-W286 HydrophobicContact CE2-CE3 3.31Å; Y131-W286 AromaticContact CE2-CZ3 3.56Å; Y131-W286 HydrophobicContact CE2-CZ3 3.56Å; Y131-W286 HydrophobicContact CG-CE3 4.31Å; Y131-W286 AromaticContact CG-CZ3 3.75Å; Y131-W286 HydrophobicContact CG-CZ3 3.75Å; Y131-W286 AromaticContact CZ-CE3 3.64Å; Y131-W286 AromaticContact CZ-CZ3 3.64Å
132S94.3Very high93Very high81 Ų8171.3 Ų71.357%0.56636%0.362SS*.THydrogen-bonded Turntrans59.311.6-176.5-55.20000115.3I134 P148S132-I134 PolarHBondContact O-N 3.44Å; S132-P148 PolarHBondContact N-O 2.97Å
133Q95.6Very high92.5Very high76 Ų7671.8 Ų71.836%0.35537%0.368SS..  trans-75.4113.5170.8-177.2-179.4-19.700109.9K130 Y131 V135 P148K130-Q133 WeakPolarHBondContact O-CB 3.49Å; K130-Q133 PolarHBondContact O-N 3.39Å; K130-Q133 VanDerWaalsContact O-N 3.16Å; Y131-Q133 PolarHBondContact O-N 3.11Å; Y131-Q133 VanDerWaalsContact O-N 3.1Å; Q133-V135 HydrophobicContact CG-CG2 4.21Å; Q133-P148 WeakPolarHBondContact O-CD 3.03Å
134I95.4Very high92.4Very high113 Ų11372 Ų7258%0.57937%0.369SS*.  trans-76.8125.7172.5-52174.8000108.6S132 N136S132-I134 PolarHBondContact O-N 3.44Å; I134-N136 WeakPolarHBondContact CG2-OD1 3.47Å
135V96Very high92.4Very high24 Ų2466.6 Ų66.615%0.14534%0.341CS..EExtended strand (participates in β ladder)trans-118.8114.6174.2178.80000109.1Y85 L129 Q133 S145 I146Y85-V135 HydrophobicContact CE1-CG1 4.06Å; L129-V135 HydrophobicContact CD1-CG2 3.83Å; L129-V135 HydrophobicContact CD2-CG2 3.68Å; L129-V135 HydrophobicContact CG-CG2 4.42Å; Q133-V135 HydrophobicContact CG-CG2 4.21Å; V135-S145 WeakPolarHBondContact O-CA 3.24Å; V135-I146 HydrophobicContact CB-CD1 4.42Å; V135-I146 HydrophobicContact CB-CG1 3.83Å; V135-I146 HydrophobicContact CG1-CG1 4.43Å; V135-I146 PolarHBondContact N-O 2.85Å; V135-I146 PolarHBondContact O-N 3.47Å
136N94.2Very high92.5Very high114 Ų11463.5 Ų63.561%0.6133%0.328SS*.EExtended strand (participates in β ladder)trans-86.4126.8177.2-63.13.9000109.6I134 S145I134-N136 WeakPolarHBondContact CG2-OD1 3.47Å; N136-S145 WeakPolarHBondContact OD1-CB 3.33Å
137L92Very high92.4Very high11 Ų1163.4 Ų63.46%0.05833%0.327CS..  trans-79.3165.4-177.4-59.3179.5000111.8F28 F30 Y85 G141 L144 I146F28-L137 HydrophobicContact CE1-CD1 3.87Å; F28-L137 HydrophobicContact CE2-CD1 4.47Å; F28-L137 HydrophobicContact CZ-CD1 3.79Å; F30-L137 HydrophobicContact CE1-CD1 3.67Å; F30-L137 HydrophobicContact CZ-CD1 3.6Å; Y85-L137 HydrophobicContact CE2-CD2 4.04Å; L137-G141 WeakPolarHBondContact CB-O 3.41Å; L137-L144 HydrophobicContact CB-CB 4.43Å; L137-L144 HydrophobicContact CD1-CB 3.98Å; L137-L144 HydrophobicContact CG-CB 4.49Å; L137-L144 PolarHBondContact N-O 2.67Å; L137-I146 HydrophobicContact CD1-CG2 4.29Å; L137-I146 HydrophobicContact CD2-CD1 4.36Å
138K87.6Confident92.4Very high185 Ų18558.9 Ų58.980%0.80431%0.306SS*.  trans-132.9164.4-171.6-62.6-179.4-177.3175.40110.7
139G86.7Confident92.4Very high66 Ų6655.1 Ų55.168%0.6829%0.289SS*.G310 helixtrans68.1-133.1-174.800000110.7G141 H142G139-G141 PolarHBondContact O-N 2.72Å; G139-G141 VanDerWaalsContact O-N 3.16Å; G139-H142 PolarHBondContact O-N 2.71Å
140K81.5Confident92.3Very high132 Ų13256 Ų5657%0.57430%0.295SS*.G310 helixtrans-51.9-36.4177.2-59.4-177.6-165.1162.30113.1F28 D56 H142F28-K140 HydrophobicContact CD2-CB 4.09Å; D56-K140 WeakPolarHBondContact OD1-CD 3.23Å; D56-K140 WeakPolarHBondContact OD1-CE 3.49Å; D56-K140 IonicContact OD1-NZ 3.66Å; D56-K140 PolarHBondContact OD1-NZ 3.16Å; D56-K140 IonicContact OD2-NZ 2.68Å; K140-H142 PolarHBondContact O-N 2.81Å
141G81.1Confident92.2Very high0 Ų051.4 Ų51.40%028%0.275CS..G310 helixtrans-7824.1-178.600000114.4F28 L137 G139 G143 L144F28-G141 VanDerWaalsContact CD2-N 3.33Å; L137-G141 WeakPolarHBondContact CB-O 3.41Å; G139-G141 PolarHBondContact O-N 2.72Å; G139-G141 VanDerWaalsContact O-N 3.16Å; G141-G143 PolarHBondContact O-N 3.17Å; G141-L144 WeakPolarHBondContact O-CB 3.4Å; G141-L144 PolarHBondContact O-N 2.95Å; G141-L144 VanDerWaalsContact O-N 3.08Å
142H86.3Confident92Very high145 Ų14548.7 Ų48.767%0.67127%0.266SS*.THydrogen-bonded Turntrans-64.9137.8179.3-166.751.4000111G139 K140 L144G139-H142 PolarHBondContact O-N 2.71Å; K140-H142 PolarHBondContact O-N 2.81Å; H142-L144 PolarHBondContact O-N 2.82Å
143G85.3Confident92Very high11 Ų1144.9 Ų44.911%0.11324%0.239CC..THydrogen-bonded Turntrans69.613.8-171.100000114.9G141 K164 D165G141-G143 PolarHBondContact O-N 3.17Å; G143-K164 CarbonylContact O-C 3.5Å; G143-K164 VanDerWaalsContact O-CA 3.31Å; G143-K164 WeakPolarHBondContact O-CA 3.4Å; G143-D165 WeakPolarHBondContact CA-OD2 3.22Å; G143-D165 PolarHBondContact O-N 3.14Å
144L93Very high92Very high4 Ų441.4 Ų41.42%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-101.6138.7163-70.7169.9000110.3V25 F28 F30 L137 G141 H142 I162 K164V25-L144 HydrophobicContact CB-CD1 4.45Å; V25-L144 HydrophobicContact CB-CD2 4.38Å; V25-L144 HydrophobicContact CG1-CD2 3.91Å; F28-L144 HydrophobicContact CB-CD1 3.84Å; F28-L144 HydrophobicContact CD1-CD1 3.9Å; F28-L144 HydrophobicContact CG-CD1 3.89Å; F30-L144 HydrophobicContact CE2-CD1 4.05Å; F30-L144 HydrophobicContact CZ-CD1 4.17Å; L137-L144 HydrophobicContact CB-CB 4.43Å; L137-L144 HydrophobicContact CD1-CB 3.98Å; L137-L144 HydrophobicContact CG-CB 4.49Å; L137-L144 PolarHBondContact N-O 2.67Å; G141-L144 WeakPolarHBondContact O-CB 3.4Å; G141-L144 PolarHBondContact O-N 2.95Å; G141-L144 VanDerWaalsContact O-N 3.08Å; H142-L144 PolarHBondContact O-N 2.82Å; L144-I162 HydrophobicContact CD2-CG2 4.46Å; L144-K164 HydrophobicContact CD2-CB 4.04Å; L144-K164 HydrophobicContact CD2-CD 3.58Å; L144-K164 HydrophobicContact CD2-CG 4.43Å; L144-K164 HydrophobicContact CG-CD 4.05Å
145S94.5Very high92Very high15 Ų1536 Ų3611%0.10520%0.195CC..EExtended strand (participates in β ladder)trans-129142.617164.30000110.8V135 N136 I162 V163V135-S145 WeakPolarHBondContact O-CA 3.24Å; N136-S145 WeakPolarHBondContact OD1-CB 3.33Å; S145-I162 WeakPolarHBondContact O-CA 3.43Å; S145-V163 PolarHBondContact N-O 3.18Å; S145-V163 PolarHBondContact O-N 3.25Å; S145-V163 PolarHBondContact OG-O 2.77Å
146I96.4Very high91.8Very high0 Ų034.9 Ų34.90%019%0.188CC..EExtended strand (participates in β ladder)trans-115.4147175.563.7177.6000110F30 L59 Y85 V135 L137 W160 K161 I162F30-I146 HydrophobicContact CE1-CG2 3.72Å; F30-I146 HydrophobicContact CZ-CG2 4Å; L59-I146 HydrophobicContact CD1-CG2 4.39Å; L59-I146 HydrophobicContact CD2-CD1 3.69Å; L59-I146 HydrophobicContact CD2-CG2 4.45Å; Y85-I146 HydrophobicContact CD1-CD1 3.83Å; Y85-I146 HydrophobicContact CD2-CD1 3.72Å; Y85-I146 HydrophobicContact CE1-CD1 4.22Å; Y85-I146 HydrophobicContact CE2-CD1 4.12Å; Y85-I146 HydrophobicContact CG-CD1 3.56Å; V135-I146 HydrophobicContact CB-CD1 4.42Å; V135-I146 HydrophobicContact CB-CG1 3.83Å; V135-I146 HydrophobicContact CG1-CG1 4.43Å; V135-I146 PolarHBondContact N-O 2.85Å; V135-I146 PolarHBondContact O-N 3.47Å; L137-I146 HydrophobicContact CD1-CG2 4.29Å; L137-I146 HydrophobicContact CD2-CD1 4.36Å; I146-W160 HydrophobicContact CB-CE3 4.32Å; I146-W160 HydrophobicContact CB-CZ3 4.29Å; I146-W160 HydrophobicContact CD1-CZ3 3.95Å; I146-W160 HydrophobicContact CG1-CZ3 4.26Å; I146-K161 CarbonylContact C-O 3.55Å; I146-K161 WeakPolarHBondContact CA-O 3.21Å; I146-I162 HydrophobicContact CG2-CG1 4.26Å; I146-I162 HydrophobicContact CG2-CG2 4.47Å
147T96.3Very high91.9Very high8 Ų829.4 Ų29.45%0.04916%0.159CC..EExtended strand (participates in β ladder)trans-145.9118.3177.7-55.60000109.8L149 K161T147-L149 HydrophobicContact CG2-CD2 4.28Å; T147-K161 PolarHBondContact N-O 3.4Å; T147-K161 WeakPolarHBondContact O-CB 3.16Å; T147-K161 PolarHBondContact O-N 3.05Å
148P96.9Very high92.1Very high0 Ų029 Ų290%016%0.156CC..EExtended strand (participates in β ladder)trans-81.5128174.231.1-31.4000110.8T87 L129 K130 Y131 S132 Q133 T158 W160T87-P148 HydrophobicContact CG2-CB 4.17Å; T87-P148 HydrophobicContact CG2-CG 4.33Å; L129-P148 HydrophobicContact CB-CG 4.11Å; L129-P148 HydrophobicContact CD1-CG 4.16Å; K130-P148 WeakPolarHBondContact O-CG 3.33Å; Y131-P148 CarbonylContact C-O 3.58Å; Y131-P148 WeakPolarHBondContact CA-O 3.14Å; S132-P148 PolarHBondContact N-O 2.97Å; Q133-P148 WeakPolarHBondContact O-CD 3.03Å; P148-T158 HydrophobicContact CB-CG2 3.65Å; P148-W160 HydrophobicContact CB-CE3 4.21Å; P148-W160 HydrophobicContact CB-CH2 4.11Å; P148-W160 HydrophobicContact CB-CZ2 4.49Å; P148-W160 HydrophobicContact CB-CZ3 3.95Å; P148-W160 HydrophobicContact CG-CH2 4.4Å; P148-W160 HydrophobicContact CG-CZ3 4.21Å
149L95.8Very high92.6Very high11 Ų1120.2 Ų20.26%0.05812%0.118CC..EExtended strand (participates in β ladder)trans-110.5150.5174-59.7178.9000109.5T147 A151 T158 I159 K161 V192T147-L149 HydrophobicContact CG2-CD2 4.28Å; L149-A151 PolarHBondContact O-N 3.1Å; L149-T158 CarbonylContact O-C 3.56Å; L149-T158 VanDerWaalsContact O-CA 3.24Å; L149-T158 WeakPolarHBondContact O-CA 3.46Å; L149-I159 HydrophobicContact CB-CB 4.29Å; L149-I159 PolarHBondContact N-O 2.83Å; L149-I159 PolarHBondContact O-N 3.39Å; L149-K161 HydrophobicContact CD1-CB 4.31Å; L149-K161 HydrophobicContact CD1-CD 4.4Å; L149-V192 HydrophobicContact CD1-CG2 3.85Å
150P95.9Very high93.1Very high24 Ų2417 Ų1716%0.1569%0.086CC..EExtended strand (participates in β ladder)trans-69129.5-177.528.2-35.9000112.7Y131 C187 T188Y131-P150 HydrophobicContact CD1-CB 4.21Å; Y131-P150 HydrophobicContact CD2-CB 4.27Å; Y131-P150 HydrophobicContact CE1-CB 3.83Å; Y131-P150 HydrophobicContact CE2-CB 3.88Å; Y131-P150 HydrophobicContact CG-CB 4.42Å; P150-C187 VanDerWaalsContact O-CA 3.23Å; P150-C187 WeakPolarHBondContact O-CA 3.22Å; P150-T188 VanDerWaalsContact CG-OG1 3.29Å; P150-T188 WeakPolarHBondContact CG-OG1 3.49Å; P150-T188 PolarHBondContact O-N 3.23Å
151A95.2Very high93.7Very high0 Ų012.8 Ų12.80%07%0.067CC..  trans-90.2-27.3175.600000113.7L149 H153 G157 I159 F176 N177 C187L149-A151 PolarHBondContact O-N 3.1Å; A151-H153 VanDerWaalsContact C-N 3.32Å; A151-H153 PolarHBondContact O-N 2.83Å; A151-G157 WeakPolarHBondContact CB-O 3.41Å; A151-G157 PolarHBondContact N-O 2.86Å; A151-I159 HydrophobicContact CB-CD1 4.22Å; A151-I159 HydrophobicContact CB-CG1 4.04Å; A151-F176 HydrophobicContact CB-CB 4.44Å; A151-N177 PolarHBondContact O-N 2.8Å; A151-C187 WeakPolarHBondContact O-CB 3.49Å
152G92.7Very high94.4Very high3 Ų312.9 Ų12.93%0.0317%0.068CC..SBendtrans78.32.7173.600000116.7L184 N185G152-L184 WeakPolarHBondContact O-CD1 3.47Å; G152-N185 WeakPolarHBondContact CA-O 3.46Å
153H94.4Very high94.6Very high0 Ų07.2 Ų7.20%04%0.043CC..SBendtrans-84.4-56.8179.9169.362.3000112.9H62 A151 D175 R242 E543 G544H62-H153 AromaticContact CD2-CD2 3.97Å; H62-H153 AromaticContact NE2-CD2 3.92Å; A151-H153 VanDerWaalsContact C-N 3.32Å; A151-H153 PolarHBondContact O-N 2.83Å; H153-D175 WeakPolarHBondContact CB-O 3.39Å; H153-R242 WeakPolarHBondContact O-CD 3.15Å; H153-R242 PolarHBondContact O-NH1 3.08Å; H153-E543 PolarHBondContact CE1-O 2.78Å; H153-E543 PolarHBondContact ND1-O 3.15Å; H153-G544 PolarHBondContact ND1-O 3.09Å
154M95.1Very high94.7Very high3 Ų38.8 Ų8.82%0.0155%0.047CC..SBendtrans-119.6164.7170.3-58.5-156.8-160.800111.4P63 D64 F97 G156 G157 L184 R242P63-M154 HydrophobicContact CG-CB 3.99Å; P63-M154 HydrophobicContact CG-SD 3.85Å; D64-M154 HydrophobicContact CB-CE 3.73Å; D64-M154 HydrophobicContact CB-SD 4.13Å; D64-M154 WeakPolarHBondContact OD1-CE 3.43Å; F97-M154 HydrophobicContact CE2-SD 4.43Å; F97-M154 HydrophobicContact CZ-SD 4.25Å; M154-G156 PolarHBondContact O-N 3.31Å; M154-G157 PolarHBondContact O-N 3.19Å; M154-L184 VanDerWaalsContact C-CD1 3.48Å; M154-R242 HydrophobicContact CE-CG 4.49Å
155I94.3Very high94.2Very high0 Ų014.4 Ų14.40%08%0.077CC..THydrogen-bonded Turntrans-60128.7177.6-168.1175.5000110.8P89 M93 G157 L184 L244 Q283 W286 M287P89-I155 HydrophobicContact CB-CG1 3.97Å; P89-I155 HydrophobicContact CB-CG2 4.25Å; P89-I155 HydrophobicContact CG-CG1 4.31Å; M93-I155 HydrophobicContact CE-CG2 4.37Å; M93-I155 HydrophobicContact CG-CG2 3.71Å; I155-G157 PolarHBondContact O-N 3.22Å; I155-L184 HydrophobicContact CB-CD2 4.4Å; I155-L244 HydrophobicContact CB-CD1 4.33Å; I155-L244 HydrophobicContact CD1-CD1 4.22Å; I155-L244 HydrophobicContact CG2-CD1 3.93Å; I155-Q283 HydrophobicContact CD1-CB 4.24Å; I155-W286 HydrophobicContact CG1-CB 4.39Å; I155-M287 HydrophobicContact CD1-CE 3.69Å; I155-M287 HydrophobicContact CD1-CG 4.48Å
156G93.6Very high93.1Very high0 Ų017.9 Ų17.90%012%0.115CC..THydrogen-bonded Turntrans74.4-6.4-174.100000116.2T87 Y131 M154 T158T87-G156 PolarHBondContact OG1-O 2.89Å; Y131-G156 VanDerWaalsContact OH-CA 3.25Å; Y131-G156 WeakPolarHBondContact OH-CA 3.28Å; M154-G156 PolarHBondContact O-N 3.31Å; G156-T158 VanDerWaalsContact O-CG2 3.22Å; G156-T158 WeakPolarHBondContact O-CG2 3.44Å; G156-T158 PolarHBondContact O-N 2.92Å
157G95.9Very high92Very high0 Ų020.5 Ų20.50%013%0.128CC..  trans-54.3133.7-174.500000113.5S61 H62 Y131 A151 M154 I155S61-G157 CarbonylContact O-C 3.54Å; S61-G157 VanDerWaalsContact O-CA 3.31Å; S61-G157 WeakPolarHBondContact O-CA 3.39Å; H62-G157 WeakPolarHBondContact CD2-CA 3.25Å; Y131-G157 PolarHBondContact OH-O 3.19Å; A151-G157 WeakPolarHBondContact CB-O 3.41Å; A151-G157 PolarHBondContact N-O 2.86Å; M154-G157 PolarHBondContact O-N 3.19Å; I155-G157 PolarHBondContact O-N 3.22Å
158T96.4Very high90.9Very high1 Ų124 Ų241%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-122135.4-168.7700000115.2L60 S61 T87 Y131 P148 L149 G156 W160L60-T158 PolarHBondContact O-OG1 2.87Å; S61-T158 WeakPolarHBondContact CA-OG1 3.36Å; S61-T158 VanDerWaalsContact CB-O 3.31Å; S61-T158 WeakPolarHBondContact CB-O 3.2Å; S61-T158 PolarHBondContact O-N 2.87Å; T87-T158 HydrophobicContact CG2-CG2 3.29Å; Y131-T158 HydrophobicContact CE1-CG2 4.16Å; P148-T158 HydrophobicContact CB-CG2 3.65Å; L149-T158 CarbonylContact O-C 3.56Å; L149-T158 VanDerWaalsContact O-CA 3.24Å; L149-T158 WeakPolarHBondContact O-CA 3.46Å; G156-T158 VanDerWaalsContact O-CG2 3.22Å; G156-T158 WeakPolarHBondContact O-CG2 3.44Å; G156-T158 PolarHBondContact O-N 2.92Å; T158-W160 PolarHBondContact OG1-NE1 3.45Å
159I96.7Very high90.5Very high1 Ų126.3 Ų26.31%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-84.3126.9153.7-68.3147.5000107.4L149 A151 V171 Y172 A173 F176 C187 L189L149-I159 HydrophobicContact CB-CB 4.29Å; L149-I159 PolarHBondContact N-O 2.83Å; L149-I159 PolarHBondContact O-N 3.39Å; A151-I159 HydrophobicContact CB-CD1 4.22Å; A151-I159 HydrophobicContact CB-CG1 4.04Å; I159-V171 HydrophobicContact CG2-CG1 3.57Å; I159-Y172 CarbonylContact C-O 3.6Å; I159-Y172 WeakPolarHBondContact CA-O 3.2Å; I159-A173 HydrophobicContact CB-CB 4.44Å; I159-A173 HydrophobicContact CG1-CB 3.89Å; I159-A173 HydrophobicContact CG2-CB 3.84Å; I159-F176 HydrophobicContact CD1-CB 4.11Å; I159-F176 HydrophobicContact CG1-CB 4.4Å; I159-C187 HydrophobicContact CD1-CB 4.06Å; I159-L189 HydrophobicContact CD1-CD1 3.35Å; I159-L189 HydrophobicContact CD1-CG 3.91Å; I159-L189 HydrophobicContact CG1-CD1 4.48Å
160W97.2Very high90.4Very high0 Ų026.2 Ų26.20%015%0.154CC..EExtended strand (participates in β ladder)trans-92.2119.6178.4-75.1100.6000110.8L59 L60 Y85 L129 I146 P148 T158 V171 Y172L59-W160 HydrophobicContact CB-CD2 3.98Å; L59-W160 HydrophobicContact CB-CG 4.09Å; L59-W160 HydrophobicContact CB-CZ2 4.31Å; L59-W160 HydrophobicContact CD1-CB 4.14Å; L59-W160 HydrophobicContact CD1-CD2 3.96Å; L59-W160 HydrophobicContact CD1-CE3 4.1Å; L59-W160 HydrophobicContact CD1-CG 3.99Å; L59-W160 HydrophobicContact CD2-CD2 4.36Å; L59-W160 HydrophobicContact CD2-CE3 4.19Å; L59-W160 HydrophobicContact CD2-CH2 4.31Å; L59-W160 HydrophobicContact CD2-CZ2 4.48Å; L59-W160 HydrophobicContact CD2-CZ3 4.16Å; L59-W160 HydrophobicContact CG-CD2 4.33Å; L60-W160 WeakPolarHBondContact O-CZ2 3.46Å; L60-W160 PolarHBondContact O-NE1 3.31Å; Y85-W160 WeakPolarHBondContact O-CZ2 3.36Å; L129-W160 HydrophobicContact CD1-CH2 3.79Å; L129-W160 HydrophobicContact CD1-CZ3 3.95Å; I146-W160 HydrophobicContact CB-CE3 4.32Å; I146-W160 HydrophobicContact CB-CZ3 4.29Å; I146-W160 HydrophobicContact CD1-CZ3 3.95Å; I146-W160 HydrophobicContact CG1-CZ3 4.26Å; P148-W160 HydrophobicContact CB-CE3 4.21Å; P148-W160 HydrophobicContact CB-CH2 4.11Å; P148-W160 HydrophobicContact CB-CZ2 4.49Å; P148-W160 HydrophobicContact CB-CZ3 3.95Å; P148-W160 HydrophobicContact CG-CH2 4.4Å; P148-W160 HydrophobicContact CG-CZ3 4.21Å; T158-W160 PolarHBondContact OG1-NE1 3.45Å; W160-V171 WeakPolarHBondContact O-CA 3.23Å; W160-Y172 HydrophobicContact CB-CD1 4.44Å; W160-Y172 PolarHBondContact N-O 2.91Å; W160-Y172 PolarHBondContact O-N 3.33Å
161K95.4Very high90.4Very high43 Ų4325.1 Ų25.119%0.18715%0.146CC..EExtended strand (participates in β ladder)trans-99120.8169.5-168-177.285.6152.80109.1I146 T147 L149 V163 E169 V171 V192I146-K161 CarbonylContact C-O 3.55Å; I146-K161 WeakPolarHBondContact CA-O 3.21Å; T147-K161 PolarHBondContact N-O 3.4Å; T147-K161 WeakPolarHBondContact O-CB 3.16Å; T147-K161 PolarHBondContact O-N 3.05Å; L149-K161 HydrophobicContact CD1-CB 4.31Å; L149-K161 HydrophobicContact CD1-CD 4.4Å; K161-V163 HydrophobicContact CD-CG2 4.39Å; K161-V163 HydrophobicContact CG-CG2 4.11Å; K161-E169 WeakPolarHBondContact CD-OE1 3.37Å; K161-E169 VanDerWaalsContact CE-OE1 3.31Å; K161-E169 WeakPolarHBondContact CE-OE1 3.43Å; K161-E169 HydrophobicContact CG-CB 4.4Å; K161-E169 IonicContact NZ-OE1 2.69Å; K161-E169 PolarHBondContact NZ-OE1 3.02Å; K161-E169 IonicContact NZ-OE2 3.51Å; K161-V171 HydrophobicContact CG-CG2 4.1Å; K161-V192 HydrophobicContact CD-CG2 4.34Å
162I94.9Very high90.5Very high1 Ų125.1 Ų25.11%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-116.3125.7-179.3-53.1172.8000107.3L23 F30 L32 L59 L144 S145 I146 I170L23-I162 HydrophobicContact CD2-CD1 3.68Å; F30-I162 HydrophobicContact CD2-CD1 4.27Å; F30-I162 HydrophobicContact CE2-CD1 4.3Å; F30-I162 HydrophobicContact CE2-CG2 3.91Å; F30-I162 HydrophobicContact CG-CD1 4.43Å; F30-I162 HydrophobicContact CZ-CD1 4.48Å; F30-I162 HydrophobicContact CZ-CG2 3.91Å; L32-I162 HydrophobicContact CD2-CD1 4.3Å; L59-I162 HydrophobicContact CD1-CD1 3.76Å; L59-I162 HydrophobicContact CD1-CG1 4.14Å; L144-I162 HydrophobicContact CD2-CG2 4.46Å; S145-I162 WeakPolarHBondContact O-CA 3.43Å; I146-I162 HydrophobicContact CG2-CG1 4.26Å; I146-I162 HydrophobicContact CG2-CG2 4.47Å; I162-I170 HydrophobicContact CB-CB 4.29Å; I162-I170 PolarHBondContact N-O 2.97Å; I162-I170 PolarHBondContact O-N 2.72Å
163V91.6Very high90.6Very high26 Ų2625 Ų2516%0.15815%0.145CC..EExtended strand (participates in β ladder)trans-130.5128.1-175.4-170.60000109.9S145 K161 E169S145-V163 PolarHBondContact N-O 3.18Å; S145-V163 PolarHBondContact O-N 3.25Å; S145-V163 PolarHBondContact OG-O 2.77Å; K161-V163 HydrophobicContact CD-CG2 4.39Å; K161-V163 HydrophobicContact CG-CG2 4.11Å; V163-E169 HydrophobicContact CG1-CG 4.48Å; V163-E169 HydrophobicContact CG2-CB 4.13Å; V163-E169 HydrophobicContact CG2-CG 3.88Å
164K86.6Confident90.6Very high44 Ų4425 Ų2519%0.19115%0.145CC..EExtended strand (participates in β ladder)trans-93.7139.6172.4-17785.5-176.7-166.30109.9D26 G143 L144 G166 E167D26-K164 WeakPolarHBondContact OD2-CE 3.42Å; D26-K164 IonicContact OD2-NZ 3.29Å; D26-K164 PolarHBondContact OD2-NZ 3.33Å; G143-K164 CarbonylContact O-C 3.5Å; G143-K164 VanDerWaalsContact O-CA 3.31Å; G143-K164 WeakPolarHBondContact O-CA 3.4Å; L144-K164 HydrophobicContact CD2-CB 4.04Å; L144-K164 HydrophobicContact CD2-CD 3.58Å; L144-K164 HydrophobicContact CD2-CG 4.43Å; L144-K164 HydrophobicContact CG-CD 4.05Å; K164-G166 PolarHBondContact O-N 2.84Å; K164-E167 HydrophobicContact CB-CB 4.24Å; K164-E167 HydrophobicContact CB-CG 4.46Å; K164-E167 HydrophobicContact CG-CG 4.39Å; K164-E167 PolarHBondContact O-N 3.22Å; K164-E167 VanDerWaalsContact O-N 3.1Å
165D81.9Confident90.6Very high122 Ų12225 Ų2565%0.65215%0.145SC*.THydrogen-bonded Turntrans-55.2111.3176.1-79.7-14.7000111.6G143G143-D165 WeakPolarHBondContact CA-OD2 3.22Å; G143-D165 PolarHBondContact O-N 3.14Å
166G70.9Confident90.6Very high88 Ų8825.2 Ų25.291%0.90715%0.146SC*.THydrogen-bonded Turntrans94.21.5177.600000116K164K164-G166 PolarHBondContact O-N 2.84Å
167E74.4Confident90.7Very high56 Ų5625.2 Ų25.226%0.26215%0.146SC..SBendtrans-118.1175.5-179.8-61.8-165.4126.300113.8T2 S3 K164T2-E167 VanDerWaalsContact CA-OE1 3.3Å; T2-E167 WeakPolarHBondContact CA-OE1 3.37Å; S3-E167 WeakPolarHBondContact CB-OE2 3.31Å; S3-E167 PolarHBondContact N-OE1 2.98Å; S3-E167 VanDerWaalsContact OG-CD 3.24Å; S3-E167 PolarHBondContact OG-OE2 3.02Å; K164-E167 HydrophobicContact CB-CB 4.24Å; K164-E167 HydrophobicContact CB-CG 4.46Å; K164-E167 HydrophobicContact CG-CG 4.39Å; K164-E167 PolarHBondContact O-N 3.22Å; K164-E167 VanDerWaalsContact O-N 3.1Å
168E72.7Confident90.5Very high82 Ų8228 Ų2838%0.38316%0.159SC..PPolyproline II helixtrans-84.5156.4173.6-75.4-178.9-171.300112.2R561E168-R561 VanDerWaalsContact CD-NH2 3.29Å; E168-R561 IonicContact OE1-CZ 3.21Å; E168-R561 IonicContact OE1-NE 2.68Å; E168-R561 IonicContact OE1-NH2 2.67Å; E168-R561 PolarHBondContact OE1-NH2 2.85Å; E168-R561 IonicContact OE2-CZ 2.69Å; E168-R561 VanDerWaalsContact OE2-CZ 3.3Å; E168-R561 IonicContact OE2-NE 2.78Å; E168-R561 PolarHBondContact OE2-NE 2.87Å; E168-R561 IonicContact OE2-NH2 3.84Å; E168-R561 PolarHBondContact OE2-NH2 2.83Å
169E89.1Confident90.2Very high47 Ų4730.9 Ų30.922%0.2217%0.172CC..PPolyproline II helixtrans-73.1142.1-165.5-45.6-171.1129.100113.1K161 V163 P195 S196K161-E169 WeakPolarHBondContact CD-OE1 3.37Å; K161-E169 VanDerWaalsContact CE-OE1 3.31Å; K161-E169 WeakPolarHBondContact CE-OE1 3.43Å; K161-E169 HydrophobicContact CG-CB 4.4Å; K161-E169 IonicContact NZ-OE1 2.69Å; K161-E169 PolarHBondContact NZ-OE1 3.02Å; K161-E169 IonicContact NZ-OE2 3.51Å; V163-E169 HydrophobicContact CG1-CG 4.48Å; V163-E169 HydrophobicContact CG2-CB 4.13Å; V163-E169 HydrophobicContact CG2-CG 3.88Å; E169-P195 CarbonylContact O-C 3.52Å; E169-P195 WeakPolarHBondContact O-CA 3.25Å; E169-P195 VanDerWaalsContact O-CB 3.24Å; E169-P195 WeakPolarHBondContact O-CB 3.43Å; E169-S196 PolarHBondContact O-N 3.42Å
170I93.9Very high90Very high10 Ų1038.5 Ų38.55%0.05120%0.2CC..EExtended strand (participates in β ladder)trans-98.1134.4165.4-57.6169.9000107.6I5 L23 V25 I162 L197I5-I170 HydrophobicContact CD1-CD1 3.88Å; I5-I170 HydrophobicContact CD1-CG1 4.33Å; I5-I170 HydrophobicContact CG1-CD1 4.22Å; I5-I170 HydrophobicContact CG2-CD1 4.15Å; L23-I170 HydrophobicContact CD2-CG2 4.13Å; V25-I170 HydrophobicContact CG2-CD1 3.93Å; I162-I170 HydrophobicContact CB-CB 4.29Å; I162-I170 PolarHBondContact N-O 2.97Å; I162-I170 PolarHBondContact O-N 2.72Å; I170-L197 WeakPolarHBondContact CA-O 3.33Å; I170-L197 HydrophobicContact CG1-CB 4.37Å; I170-L197 HydrophobicContact CG2-CB 4.22Å; I170-L197 HydrophobicContact CG2-CD2 4.07Å; I170-L197 HydrophobicContact CG2-CG 4.24Å
171V95.9Very high89.7Confident0 Ų039.2 Ų39.20%020%0.203CC..EExtended strand (participates in β ladder)trans-128.7125.8179.3176.70000111.1I159 W160 K161 A173 V192 P195 L197 L198 I199I159-V171 HydrophobicContact CG2-CG1 3.57Å; W160-V171 WeakPolarHBondContact O-CA 3.23Å; K161-V171 HydrophobicContact CG-CG2 4.1Å; V171-A173 HydrophobicContact CG1-CB 4.09Å; V171-V192 HydrophobicContact CG2-CG1 3.79Å; V171-V192 HydrophobicContact CG2-CG2 4.28Å; V171-P195 HydrophobicContact CG2-CB 4.18Å; V171-L197 PolarHBondContact N-O 2.7Å; V171-L198 HydrophobicContact CB-CD1 4.05Å; V171-L198 HydrophobicContact CG1-CD1 3.86Å; V171-L198 CarbonylContact O-C 3.47Å; V171-L198 WeakPolarHBondContact O-CA 3.42Å; V171-I199 PolarHBondContact O-N 3.21Å
172Y96.8Very high89.5Confident0 Ų037.7 Ų37.70%020%0.197CC..EExtended strand (participates in β ladder)trans-105.7109.7170.7173.9-104.8000109Y21 L32 D33 I159 W160 V174 I199Y21-Y172 AromaticContact CD2-CE2 3.72Å; Y21-Y172 HydrophobicContact CD2-CE2 3.72Å; Y21-Y172 AromaticContact CE2-CE2 3.95Å; Y21-Y172 HydrophobicContact CE2-CE2 3.95Å; Y21-Y172 WeakPolarHBondContact CE2-OH 3.27Å; L32-Y172 HydrophobicContact CB-CD1 4.45Å; L32-Y172 HydrophobicContact CB-CD2 4.33Å; L32-Y172 HydrophobicContact CB-CE1 4.2Å; L32-Y172 HydrophobicContact CB-CE2 4.09Å; L32-Y172 HydrophobicContact CB-CG 4.5Å; L32-Y172 HydrophobicContact CD1-CD2 3.69Å; L32-Y172 HydrophobicContact CD1-CE2 4.19Å; L32-Y172 HydrophobicContact CD1-CG 3.91Å; D33-Y172 WeakPolarHBondContact OD2-CE1 3.49Å; D33-Y172 PolarHBondContact OD2-OH 2.78Å; I159-Y172 CarbonylContact C-O 3.6Å; I159-Y172 WeakPolarHBondContact CA-O 3.2Å; W160-Y172 HydrophobicContact CB-CD1 4.44Å; W160-Y172 PolarHBondContact N-O 2.91Å; W160-Y172 PolarHBondContact O-N 3.33Å; Y172-V174 HydrophobicContact CD2-CG1 4.4Å; Y172-V174 HydrophobicContact CE1-CG2 3.83Å; Y172-V174 HydrophobicContact CE2-CG1 3.66Å; Y172-V174 HydrophobicContact CE2-CG2 4.43Å; Y172-I199 HydrophobicContact CD2-CB 3.99Å; Y172-I199 HydrophobicContact CD2-CD1 4.33Å; Y172-I199 HydrophobicContact CD2-CG2 3.8Å; Y172-I199 HydrophobicContact CE2-CG2 4.22Å
173A95.6Very high89.3Confident0 Ų037.6 Ų37.60%020%0.197CC..EExtended strand (participates in β ladder)trans-133.675.6-171.900000110.6I159 V171 F176 L189 L198 I199 T200I159-A173 HydrophobicContact CB-CB 4.44Å; I159-A173 HydrophobicContact CG1-CB 3.89Å; I159-A173 HydrophobicContact CG2-CB 3.84Å; V171-A173 HydrophobicContact CG1-CB 4.09Å; A173-F176 HydrophobicContact CB-CD1 4.23Å; A173-F176 WeakPolarHBondContact O-CD1 3.28Å; A173-L189 HydrophobicContact CB-CD2 4.09Å; A173-L198 HydrophobicContact CB-CD1 4.07Å; A173-I199 PolarHBondContact N-O 2.83Å; A173-T200 WeakPolarHBondContact O-CA 3.4Å
174V94.4Very high89.4Confident1 Ų136.6 Ų36.61%0.00619%0.191CC..  trans-88.7152.7169.1-64.60000110.9L19 Y172 F176 V566L19-V174 HydrophobicContact CD1-CG2 4.43Å; Y172-V174 HydrophobicContact CD2-CG1 4.4Å; Y172-V174 HydrophobicContact CE1-CG2 3.83Å; Y172-V174 HydrophobicContact CE2-CG1 3.66Å; Y172-V174 HydrophobicContact CE2-CG2 4.43Å; V174-F176 PolarHBondContact O-N 3.09Å; V174-V566 HydrophobicContact CG1-CG2 4.08Å
175D93.7Very high89.7Confident2 Ų237.2 Ų37.21%0.01120%0.196CC..SBendtrans56.428.6166.1-91.71.7000115.1H67 H153 D201 R545H67-D175 IonicContact CE1-OD2 3.31Å; H67-D175 PolarHBondContact CE1-OD2 2.82Å; H67-D175 IonicContact NE2-OD2 3.07Å; H153-D175 WeakPolarHBondContact CB-O 3.39Å; D175-D201 PolarHBondContact N-OD1 3.35Å; D175-R545 IonicContact OD1-CZ 3.85Å; D175-R545 IonicContact OD1-NE 3.43Å; D175-R545 PolarHBondContact OD1-NE 3.16Å; D175-R545 IonicContact OD1-NH2 3.84Å; D175-R545 PolarHBondContact OD1-NH2 3.38Å; D175-R545 IonicContact OD2-CZ 2.67Å; D175-R545 IonicContact OD2-NE 3.68Å; D175-R545 PolarHBondContact OD2-NE 2.9Å; D175-R545 IonicContact OD2-NH2 2.65Å; D175-R545 PolarHBondContact OD2-NH2 2.78Å
176F94.6Very high90.2Very high5 Ų532.2 Ų32.22%0.02217%0.173CC..  trans-82.3149.4-173.867.1-87.5000114.1A151 I159 A173 V174 C187 L189 S546 I551 I554A151-F176 HydrophobicContact CB-CB 4.44Å; I159-F176 HydrophobicContact CD1-CB 4.11Å; I159-F176 HydrophobicContact CG1-CB 4.4Å; A173-F176 HydrophobicContact CB-CD1 4.23Å; A173-F176 WeakPolarHBondContact O-CD1 3.28Å; V174-F176 PolarHBondContact O-N 3.09Å; F176-C187 HydrophobicContact CB-CB 4.28Å; F176-L189 HydrophobicContact CB-CD1 4.28Å; F176-L189 HydrophobicContact CD2-CD1 3.66Å; F176-L189 HydrophobicContact CE2-CD1 4.14Å; F176-L189 HydrophobicContact CG-CD1 3.93Å; F176-S546 WeakPolarHBondContact O-CB 3.29Å; F176-S546 PolarHBondContact O-N 2.99Å; F176-S546 PolarHBondContact O-OG 2.9Å; F176-I551 HydrophobicContact CZ-CG1 4.18Å; F176-I551 HydrophobicContact CZ-CG2 4.4Å; F176-I554 HydrophobicContact CE2-CD1 3.9Å; F176-I554 HydrophobicContact CE2-CG2 4.49Å
177N94.9Very high91.2Very high0 Ų028.9 Ų28.90%014%0.136CC..  trans-121.7108.5-179.4-168.5-1.2000111.7A151 K179 E181 G186 C187 G544A151-N177 PolarHBondContact O-N 2.8Å; N177-K179 VanDerWaalsContact C-N 3.26Å; N177-K179 PolarHBondContact O-N 2.8Å; N177-K179 WeakPolarHBondContact OD1-CB 3.46Å; N177-K179 PolarHBondContact OD1-N 3.1Å; N177-E181 PolarHBondContact ND2-OE1 2.64Å; N177-G186 CarbonylContact O-C 3.49Å; N177-G186 WeakPolarHBondContact O-CA 3.48Å; N177-C187 PolarHBondContact O-N 3.17Å; N177-G544 VanDerWaalsContact CB-O 3.25Å; N177-G544 WeakPolarHBondContact CB-O 3.27Å; N177-G544 PolarHBondContact ND2-O 3.2Å; N177-G544 VanDerWaalsContact ND2-O 3.1Å
178H92.3Very high91.8Very high60 Ų6029.1 Ų29.128%0.27814%0.141SC..  trans-75.8-11.8175.472.6-81.9000113.9C187 S546 D547 S550 I554H178-C187 WeakPolarHBondContact CA-SG 3.39Å; H178-S546 PolarHBondContact N-OG 3.48Å; H178-S546 WeakPolarHBondContact ND1-CB 3.42Å; H178-S546 PolarHBondContact ND1-OG 3.03Å; H178-D547 IonicContact CE1-OD1 3.48Å; H178-D547 PolarHBondContact CE1-OD1 3.16Å; H178-S550 WeakPolarHBondContact CE1-CB 3.4Å; H178-S550 PolarHBondContact CE1-OG 3.46Å; H178-S550 VanDerWaalsContact CE1-OG 3.3Å; H178-S550 PolarHBondContact NE2-OG 2.91Å; H178-I554 HydrophobicContact CB-CD1 3.71Å
179K91.7Very high92.3Very high61 Ų6125.4 Ų25.427%0.26512%0.124SC..SBendtrans-85.7131.6-178-63170.9-177.2155.70109.6N177 E181 D547N177-K179 VanDerWaalsContact C-N 3.26Å; N177-K179 PolarHBondContact O-N 2.8Å; N177-K179 WeakPolarHBondContact OD1-CB 3.46Å; N177-K179 PolarHBondContact OD1-N 3.1Å; K179-E181 PolarHBondContact O-N 3.26Å; K179-D547 WeakPolarHBondContact CE-OD1 3.21Å; K179-D547 IonicContact NZ-OD1 3.64Å; K179-D547 PolarHBondContact NZ-OD1 2.96Å
180R91.5Very high91.5Very high161 Ų16130.9 Ų30.961%0.60815%0.149SC*.  trans-73.5125167.5-174.5177.571.6-170.3-2.1109.7L184R180-L184 WeakPolarHBondContact CG-O 3.42Å
181E91.2Very high90.6Very high14 Ų1433.9 Ų33.97%0.06517%0.172CC..  trans-98.1-158180-58.6-152139.100111N177 K179 L184 R242 E245N177-E181 PolarHBondContact ND2-OE1 2.64Å; K179-E181 PolarHBondContact O-N 3.26Å; E181-L184 PolarHBondContact N-O 2.71Å; E181-L184 VanDerWaalsContact N-O 3.08Å; E181-R242 IonicContact OE1-NH2 3.78Å; E181-R242 PolarHBondContact OE1-NH2 2.96Å; E181-R242 IonicContact OE2-CZ 2.66Å; E181-R242 IonicContact OE2-NH1 2.7Å; E181-R242 PolarHBondContact OE2-NH1 3.22Å; E181-R242 IonicContact OE2-NH2 3.7Å; E181-R242 PolarHBondContact OE2-NH2 3.49Å; E181-E245 WeakPolarHBondContact CB-OE1 3.39Å
182I90.8Very high90Very high11 Ų1134.1 Ų34.16%0.05617%0.173CC..SBendtrans-76.4-55.5171.5-65.6168.8000109.4R212 E245 Q248 L249 S288 L291I182-R212 VanDerWaalsContact CD1-NH2 3.32Å; I182-E245 WeakPolarHBondContact CB-OE1 3.36Å; I182-E245 WeakPolarHBondContact CB-OE2 3.35Å; I182-E245 WeakPolarHBondContact CG1-OE1 3.37Å; I182-E245 PolarHBondContact N-OE1 3.26Å; I182-E245 PolarHBondContact N-OE2 2.89Å; I182-E245 VanDerWaalsContact N-OE2 3.15Å; I182-Q248 HydrophobicContact CG2-CG 3.74Å; I182-L249 HydrophobicContact CD1-CB 4.07Å; I182-L249 HydrophobicContact CD1-CD1 3.89Å; I182-S288 PolarHBondContact O-OG 3.14Å; I182-L291 HydrophobicContact CG2-CD2 4.33Å
183H91.3Very high89.1Confident0 Ų039 Ų390%021%0.207CC..SBendtrans-92-19.6-171.685.6-67000115.2E245 M287 S288 L291 F303H183-E245 IonicContact CE1-OE2 3.56Å; H183-E245 IonicContact CG-OE2 3.55Å; H183-E245 PolarHBondContact N-OE2 2.86Å; H183-E245 IonicContact ND1-OE2 2.66Å; H183-E245 PolarHBondContact ND1-OE2 3.43Å; H183-M287 CarbonylContact O-C 3.59Å; H183-M287 WeakPolarHBondContact O-CA 3.42Å; H183-M287 WeakPolarHBondContact O-CB 3.46Å; H183-S288 PolarHBondContact O-N 3.46Å; H183-L291 HydrophobicContact CB-CD1 3.81Å; H183-F303 HydrophobicContact CB-CZ 4.04Å
184L93.8Very high88.7Confident5 Ų545.6 Ų45.63%0.02623%0.232CC..  trans-118.5149.4179.4-59.5175.4000113.5G152 M154 I155 R180 E181G152-L184 WeakPolarHBondContact O-CD1 3.47Å; M154-L184 VanDerWaalsContact C-CD1 3.48Å; I155-L184 HydrophobicContact CB-CD2 4.4Å; R180-L184 WeakPolarHBondContact CG-O 3.42Å; E181-L184 PolarHBondContact N-O 2.71Å; E181-L184 VanDerWaalsContact N-O 3.08Å
185N92.8Very high88.5Confident56 Ų5645.6 Ų45.630%0.29923%0.232SC..PPolyproline II helixtrans-76.8155162.5-77-23.9000110.1G152 S288 D289G152-N185 WeakPolarHBondContact CA-O 3.46Å; N185-S288 WeakPolarHBondContact OD1-CA 3.31Å; N185-S288 WeakPolarHBondContact OD1-CB 3.39Å; N185-D289 PolarHBondContact ND2-OD1 2.79Å; N185-D289 PolarHBondContact OD1-N 2.82Å
186G91.3Very high88.3Confident17 Ų1746 Ų4618%0.17524%0.235CC..PPolyproline II helixtrans-70160172.300000112.2N177N177-G186 CarbonylContact O-C 3.49Å; N177-G186 WeakPolarHBondContact O-CA 3.48Å
187C92.3Very high88.2Confident18 Ų1845.8 Ų45.812%0.12223%0.234CC..PPolyproline II helixtrans-58.7148.6-177.368.30000113.8P150 A151 I159 F176 N177 H178 L189P150-C187 VanDerWaalsContact O-CA 3.23Å; P150-C187 WeakPolarHBondContact O-CA 3.22Å; A151-C187 WeakPolarHBondContact O-CB 3.49Å; I159-C187 HydrophobicContact CD1-CB 4.06Å; F176-C187 HydrophobicContact CB-CB 4.28Å; N177-C187 PolarHBondContact O-N 3.17Å; H178-C187 WeakPolarHBondContact CA-SG 3.39Å; C187-L189 HydrophobicContact CB-CD1 3.69Å; C187-L189 WeakPolarHBondContact SG-CD1 3.42Å
188T87.3Confident88.3Confident61 Ų6145.9 Ų45.937%0.37424%0.235SC..  trans-104.837.1-177.8-440000113.7P150 E190 S191P150-T188 VanDerWaalsContact CG-OG1 3.29Å; P150-T188 WeakPolarHBondContact CG-OG1 3.49Å; P150-T188 PolarHBondContact O-N 3.23Å; T188-E190 PolarHBondContact O-N 3.37Å; T188-S191 PolarHBondContact O-N 3.5Å; T188-S191 PolarHBondContact O-OG 3.24Å
189L82.4Confident88.4Confident5 Ų543 Ų433%0.02622%0.222CC..G310 helixtrans-59.1-24.3172.4-73.497.2000112.8I159 A173 F176 C187 S191 V192 I554 M558I159-L189 HydrophobicContact CD1-CD1 3.35Å; I159-L189 HydrophobicContact CD1-CG 3.91Å; I159-L189 HydrophobicContact CG1-CD1 4.48Å; A173-L189 HydrophobicContact CB-CD2 4.09Å; F176-L189 HydrophobicContact CB-CD1 4.28Å; F176-L189 HydrophobicContact CD2-CD1 3.66Å; F176-L189 HydrophobicContact CE2-CD1 4.14Å; F176-L189 HydrophobicContact CG-CD1 3.93Å; C187-L189 HydrophobicContact CB-CD1 3.69Å; C187-L189 WeakPolarHBondContact SG-CD1 3.42Å; L189-S191 PolarHBondContact O-N 3.28Å; L189-V192 PolarHBondContact O-N 3.12Å; L189-I554 HydrophobicContact CB-CG2 4.34Å; L189-I554 HydrophobicContact CD2-CG2 4.19Å; L189-M558 HydrophobicContact CB-SD 3.93Å; L189-M558 HydrophobicContact CD2-CE 4.1Å; L189-M558 HydrophobicContact CD2-SD 3.53Å; L189-M558 VanDerWaalsContact CD2-SD 3.53Å; L189-M558 HydrophobicContact CG-SD 4.32Å
190E73.3Confident88.6Confident161 Ų16140.2 Ų40.275%0.75221%0.209SC*.G310 helixtrans-59-18.3176.5-60.2-167.3149.400114T188T188-E190 PolarHBondContact O-N 3.37Å
191S75.9Confident88.6Confident74 Ų7432.7 Ų32.752%0.51718%0.181SC..G310 helixtrans-79-16.1174.365.10000114.3T188 L189T188-S191 PolarHBondContact O-N 3.5Å; T188-S191 PolarHBondContact O-OG 3.24Å; L189-S191 PolarHBondContact O-N 3.28Å
192V81.7Confident88.7Confident4 Ų432 Ų322%0.02418%0.178CC..  trans-96.7104.4-179.9179.20000109.2L149 K161 V171 L189 P195 M558L149-V192 HydrophobicContact CD1-CG2 3.85Å; K161-V192 HydrophobicContact CD-CG2 4.34Å; V171-V192 HydrophobicContact CG2-CG1 3.79Å; V171-V192 HydrophobicContact CG2-CG2 4.28Å; L189-V192 PolarHBondContact O-N 3.12Å; V192-P195 HydrophobicContact CG1-CB 4.01Å; V192-P195 HydrophobicContact CG1-CG 4.01Å; V192-M558 HydrophobicContact CB-CE 3.95Å; V192-M558 HydrophobicContact CG1-CE 3.84Å
193S78.5Confident88.7Confident103 Ų10331.9 Ų31.972%0.7218%0.177SC*.  trans-91.1113.7175.460.20000111.4
194R86.5Confident88.7Confident138 Ų13831.9 Ų31.952%0.52118%0.177SC..SBendtrans53.865.7169.2-159.5-155.6-178.7119.28.6114.6M558 K559R194-M558 WeakPolarHBondContact CA-O 2.99Å; R194-M558 PolarHBondContact N-O 2.84Å; R194-K559 WeakPolarHBondContact CG-O 3.31Å
195P90.4Very high88.5Confident1 Ų131.8 Ų31.81%0.00618%0.177CC..  trans-65.6157177.330.2-33.9000111.7E169 V171 V192 L198 M558 P560 R561E169-P195 CarbonylContact O-C 3.52Å; E169-P195 WeakPolarHBondContact O-CA 3.25Å; E169-P195 VanDerWaalsContact O-CB 3.24Å; E169-P195 WeakPolarHBondContact O-CB 3.43Å; V171-P195 HydrophobicContact CG2-CB 4.18Å; V192-P195 HydrophobicContact CG1-CB 4.01Å; V192-P195 HydrophobicContact CG1-CG 4.01Å; P195-L198 HydrophobicContact CG-CB 4.35Å; P195-M558 HydrophobicContact CG-CE 4Å; P195-P560 HydrophobicContact CG-CB 4.05Å; P195-P560 WeakPolarHBondContact O-CA 3.46Å; P195-R561 PolarHBondContact O-N 2.87Å
196S90.7Very high88.5Confident12 Ų1233 Ų338%0.08419%0.186CC..SBendtrans-63.5-55.9173-173.30000109.8E169 R561 Q562E169-S196 PolarHBondContact O-N 3.42Å; S196-R561 WeakPolarHBondContact O-CB 3.28Å; S196-R561 PolarHBondContact O-N 2.98Å; S196-Q562 WeakPolarHBondContact O-CB 3.25Å; S196-Q562 PolarHBondContact O-N 3.37Å
197L92.8Very high88.5Confident0 Ų034.9 Ų34.90%019%0.189CC..EExtended strand (participates in β ladder)trans-125.1126179.4172.160.7000109.8I5 I170 V171 I199 Q562 V564 A600I5-L197 HydrophobicContact CG2-CD2 3.77Å; I170-L197 WeakPolarHBondContact CA-O 3.33Å; I170-L197 HydrophobicContact CG1-CB 4.37Å; I170-L197 HydrophobicContact CG2-CB 4.22Å; I170-L197 HydrophobicContact CG2-CD2 4.07Å; I170-L197 HydrophobicContact CG2-CG 4.24Å; V171-L197 PolarHBondContact N-O 2.7Å; L197-I199 HydrophobicContact CD1-CG1 4.32Å; L197-I199 HydrophobicContact CD2-CD1 4.33Å; L197-I199 HydrophobicContact CD2-CG1 4.27Å; L197-I199 HydrophobicContact CG-CG1 4.13Å; L197-Q562 WeakPolarHBondContact CA-O 3.44Å; L197-Q562 HydrophobicContact CD1-CB 4.15Å; L197-V564 HydrophobicContact CD1-CB 4.44Å; L197-V564 HydrophobicContact CD1-CG2 3.7Å; L197-A600 HydrophobicContact CD1-CB 4.31Å; L197-A600 HydrophobicContact CD2-CB 4Å
198L95.1Very high88.3Confident2 Ų239.8 Ų39.81%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-109.4126.1165.3176.461.8000109.1V171 A173 P195 I555 M558 P560 Q562 L563 V564V171-L198 HydrophobicContact CB-CD1 4.05Å; V171-L198 HydrophobicContact CG1-CD1 3.86Å; V171-L198 CarbonylContact O-C 3.47Å; V171-L198 WeakPolarHBondContact O-CA 3.42Å; A173-L198 HydrophobicContact CB-CD1 4.07Å; P195-L198 HydrophobicContact CG-CB 4.35Å; L198-I555 HydrophobicContact CD2-CG1 4.17Å; L198-M558 HydrophobicContact CD2-CE 4.46Å; L198-M558 HydrophobicContact CD2-SD 4.37Å; L198-P560 HydrophobicContact CB-CB 3.76Å; L198-P560 HydrophobicContact CB-CG 4.17Å; L198-P560 HydrophobicContact CD2-CG 4.24Å; L198-Q562 PolarHBondContact N-O 3Å; L198-L563 HydrophobicContact CB-CD1 3.99Å; L198-L563 HydrophobicContact CD2-CD1 3.84Å; L198-L563 HydrophobicContact CG-CD1 3.89Å; L198-L563 CarbonylContact O-C 3.52Å; L198-L563 WeakPolarHBondContact O-CA 3.4Å; L198-V564 PolarHBondContact O-N 3.19Å
199I95.9Very high88.4Confident0 Ų038 Ų380%021%0.205CC..EExtended strand (participates in β ladder)trans-105.7123.5169-53.3166.2000106.9L7 L32 V171 Y172 A173 L197 V564 V566L7-I199 HydrophobicContact CD1-CD1 3.87Å; L7-I199 HydrophobicContact CD2-CD1 3.89Å; L7-I199 HydrophobicContact CD2-CG1 4.2Å; L7-I199 HydrophobicContact CD2-CG2 4.32Å; L7-I199 HydrophobicContact CG-CD1 4.48Å; L32-I199 HydrophobicContact CD1-CD1 4.08Å; V171-I199 PolarHBondContact O-N 3.21Å; Y172-I199 HydrophobicContact CD2-CB 3.99Å; Y172-I199 HydrophobicContact CD2-CD1 4.33Å; Y172-I199 HydrophobicContact CD2-CG2 3.8Å; Y172-I199 HydrophobicContact CE2-CG2 4.22Å; A173-I199 PolarHBondContact N-O 2.83Å; L197-I199 HydrophobicContact CD1-CG1 4.32Å; L197-I199 HydrophobicContact CD2-CD1 4.33Å; L197-I199 HydrophobicContact CD2-CG1 4.27Å; L197-I199 HydrophobicContact CG-CG1 4.13Å; I199-V564 WeakPolarHBondContact CA-O 3.36Å; I199-V564 HydrophobicContact CG1-CB 4.41Å; I199-V566 HydrophobicContact CG2-CG1 4.01Å; I199-V566 HydrophobicContact CG2-CG2 3.94Å
200T94.6Very high88.8Confident1 Ų139.8 Ų39.81%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-138.7151.9-173.9-173.80000111.5A173 I555 L563 V564 I565 V566 L576A173-T200 WeakPolarHBondContact O-CA 3.4Å; T200-I555 HydrophobicContact CG2-CD1 4.17Å; T200-L563 HydrophobicContact CG2-CD1 3.75Å; T200-V564 PolarHBondContact N-O 2.78Å; T200-V564 VanDerWaalsContact N-O 3.08Å; T200-I565 HydrophobicContact CG2-CG1 4.28Å; T200-V566 WeakPolarHBondContact O-CG2 3.4Å; T200-V566 PolarHBondContact O-N 2.97Å; T200-L576 HydrophobicContact CG2-CD2 4.39Å
201D93.2Very high89.6Confident4 Ų442 Ų422%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-71.8164.6168.171.7-84.4000112.2D175 F203 V566 H567D175-D201 PolarHBondContact N-OD1 3.35Å; D201-F203 PolarHBondContact OD2-N 2.89Å; D201-V566 CarbonylContact C-O 3.59Å; D201-V566 VanDerWaalsContact CA-O 3.25Å; D201-V566 WeakPolarHBondContact CA-O 3.34Å; D201-H567 HydrophobicContact CB-CB 4.18Å
202S92.2Very high90.3Very high0 Ų041.4 Ų41.40%021%0.205CC..  trans-124.89.2167.558.10000114.2N204 A205 V566 H567 A572 S573S202-N204 PolarHBondContact O-N 3.04Å; S202-N204 VanDerWaalsContact O-N 3.08Å; S202-A205 WeakPolarHBondContact O-CB 3.34Å; S202-A205 PolarHBondContact O-N 3.25Å; S202-V566 PolarHBondContact N-O 2.96Å; S202-V566 PolarHBondContact OG-O 3.4Å; S202-H567 CarbonylContact C-O 3.26Å; S202-H567 WeakPolarHBondContact CA-O 3.24Å; S202-H567 PolarHBondContact N-O 2.9Å; S202-H567 PolarHBondContact OG-O 3.37Å; S202-A572 WeakPolarHBondContact O-CB 3.42Å; S202-S573 WeakPolarHBondContact OG-CA 3.28Å; S202-S573 PolarHBondContact OG-OG 2.88Å
203F90.9Very high90.7Very high8 Ų847.7 Ų47.74%0.03523%0.232CC..THydrogen-bonded Turntrans-52.3-37-173.4-175.1-90.7000113.6E16 D201 R358 E543 H567E16-F203 HydrophobicContact CB-CD2 4.28Å; E16-F203 HydrophobicContact CB-CE2 3.86Å; E16-F203 HydrophobicContact CG-CD2 3.87Å; E16-F203 HydrophobicContact CG-CE2 3.63Å; E16-F203 WeakPolarHBondContact OE2-CE2 3.28Å; D201-F203 PolarHBondContact OD2-N 2.89Å; F203-R358 VanDerWaalsContact CE1-CZ 3.46Å; F203-R358 VanDerWaalsContact CE1-NH1 3.35Å; F203-R358 HydrophobicContact CZ-CB 4.1Å; F203-E543 WeakPolarHBondContact CE1-OE2 3.38Å; F203-H567 AromaticContact CD2-CD2 3.95Å; F203-H567 AromaticContact CD2-NE2 3.35Å; F203-H567 WeakPolarHBondContact CD2-NE2 3.26Å; F203-H567 AromaticContact CG-NE2 3.96Å; F203-H567 PolarHBondContact N-O 3.14Å
204N91.7Very high91.4Very high0 Ų048.1 Ų48.10%022%0.222CC..THydrogen-bonded Turntrans-109.713.6177.9-86.8-2.1000115S202 T206 Y207 R358 E543 S546 G548 I551S202-N204 PolarHBondContact O-N 3.04Å; S202-N204 VanDerWaalsContact O-N 3.08Å; N204-T206 PolarHBondContact O-N 2.94Å; N204-Y207 PolarHBondContact O-N 2.83Å; N204-R358 PolarHBondContact OD1-NH2 3.49Å; N204-E543 PolarHBondContact ND2-OE1 3.44Å; N204-S546 WeakPolarHBondContact CB-O 3.31Å; N204-S546 PolarHBondContact ND2-O 3.1Å; N204-S546 VanDerWaalsContact ND2-O 3.1Å; N204-G548 WeakPolarHBondContact O-CA 3.21Å; N204-G548 PolarHBondContact O-N 3.18Å; N204-I551 HydrophobicContact CB-CD1 4.2Å
205A90.2Very high91.7Very high2 Ų241.8 Ų41.82%0.01720%0.198CC..THydrogen-bonded Turntrans-60.6-30.6-174.400000114.5S202 G548 K552 A572 L576S202-A205 WeakPolarHBondContact O-CB 3.34Å; S202-A205 PolarHBondContact O-N 3.25Å; A205-G548 VanDerWaalsContact O-CA 3.23Å; A205-G548 WeakPolarHBondContact O-CA 3.25Å; A205-K552 WeakPolarHBondContact O-CE 3.38Å; A205-A572 HydrophobicContact CB-CB 4.26Å; A205-L576 HydrophobicContact CB-CB 3.81Å; A205-L576 HydrophobicContact CB-CD1 4.33Å; A205-L576 HydrophobicContact CB-CD2 4.3Å; A205-L576 HydrophobicContact CB-CG 4.37Å
206T91.3Very high91.8Very high81 Ų8143.2 Ų43.250%0.49721%0.206SC..THydrogen-bonded Turntrans-99.3-5.8173.751.20000113.5N204 V208 A572 D575N204-T206 PolarHBondContact O-N 2.94Å; T206-V208 PolarHBondContact O-N 3.3Å; T206-A572 HydrophobicContact CG2-CB 4.11Å; T206-D575 HydrophobicContact CG2-CB 3.91Å; T206-D575 VanDerWaalsContact CG2-OD2 3.3Å; T206-D575 WeakPolarHBondContact CG2-OD2 3.47Å
207Y91.2Very high91.9Very high58 Ų5847.4 Ų47.423%0.22722%0.224CC..  trans-84.9117.4-171.3-173.3-114.1000112.7N204 Q209 G548N204-Y207 PolarHBondContact O-N 2.83Å; Y207-Q209 HydrophobicContact CD1-CB 4.16Å; Y207-Q209 HydrophobicContact CE1-CB 3.97Å; Y207-Q209 HydrophobicContact CE1-CG 4.06Å; Y207-Q209 PolarHBondContact O-N 3.15Å; Y207-G548 PolarHBondContact O-N 3.31Å
208V89.5Confident92Very high120 Ų12051.4 Ų51.473%0.72724%0.243SC*.  trans-89.390.2177.3-176.20000109.9T206T206-V208 PolarHBondContact O-N 3.3Å
209Q88.8Confident92Very high25 Ų2551.4 Ų51.412%0.11724%0.243CC..PPolyproline II helixtrans-68.7128.2-174.8-166.3175.36800113Y207 R215 D541 R545 D547Y207-Q209 HydrophobicContact CD1-CB 4.16Å; Y207-Q209 HydrophobicContact CE1-CB 3.97Å; Y207-Q209 HydrophobicContact CE1-CG 4.06Å; Y207-Q209 PolarHBondContact O-N 3.15Å; Q209-R215 VanDerWaalsContact NE2-NH1 3.12Å; Q209-D541 WeakPolarHBondContact CG-OD2 3.37Å; Q209-D541 PolarHBondContact NE2-OD2 3.05Å; Q209-R545 PolarHBondContact NE2-O 2.93Å; Q209-D547 HydrophobicContact CB-CB 3.83Å
210P90.4Very high91.8Very high42 Ų4253.6 Ų53.627%0.27325%0.254SS..PPolyproline II helixtrans-66.1151.4174.124.9-30.8000112R212 R215P210-R212 PolarHBondContact O-N 3.39Å; P210-R215 HydrophobicContact CB-CG 4.31Å; P210-R215 HydrophobicContact CG-CG 3.99Å
211R90.5Very high91.8Very high206 Ų20657.8 Ų57.878%0.77728%0.28SS*.PPolyproline II helixtrans-62131.8-175-68.2-179.2175.6179.2-0.7110.9K213 Q214 R215R211-K213 VanDerWaalsContact C-N 3.28Å; R211-K213 PolarHBondContact O-N 3.41Å; R211-Q214 WeakPolarHBondContact O-CA 3.47Å; R211-Q214 VanDerWaalsContact O-CB 3.28Å; R211-Q214 WeakPolarHBondContact O-CB 3.21Å; R211-Q214 PolarHBondContact O-N 2.88Å; R211-R215 PolarHBondContact O-N 2.88Å
212R89.5Confident91.9Very high62 Ų6258 Ų5823%0.23428%0.281CS..Hα-helixtrans-41.6-51.3-178.7-166.5-170.9178.3-62.8-11.3113.3I182 P210 Q214 R215 D216 E245I182-R212 VanDerWaalsContact CD1-NH2 3.32Å; P210-R212 PolarHBondContact O-N 3.39Å; R212-Q214 VanDerWaalsContact C-N 3.3Å; R212-Q214 PolarHBondContact O-N 3.48Å; R212-R215 CarbonylContact O-C 3.37Å; R212-R215 WeakPolarHBondContact O-CA 3.26Å; R212-R215 WeakPolarHBondContact O-CB 3.43Å; R212-R215 PolarHBondContact O-N 3.47Å; R212-D216 VanDerWaalsContact C-OD2 3.28Å; R212-D216 IonicContact CZ-OD1 3.64Å; R212-D216 IonicContact CZ-OD2 2.95Å; R212-D216 IonicContact NH1-OD1 2.72Å; R212-D216 PolarHBondContact NH1-OD1 2.67Å; R212-D216 IonicContact NH1-OD2 3.84Å; R212-D216 PolarHBondContact NH1-OD2 3.24Å; R212-D216 IonicContact NH2-OD1 3.99Å; R212-D216 VanDerWaalsContact O-CG 3.28Å; R212-D216 PolarHBondContact O-N 2.84Å; R212-E245 IonicContact CZ-OE1 3.96Å; R212-E245 IonicContact NE-OE1 3.59Å; R212-E245 IonicContact NH2-OE1 3.35Å; R212-E245 PolarHBondContact NH2-OE1 3.04Å
213K90.8Very high92Very high137 Ų13758 Ų5860%0.59628%0.281SS*.Hα-helixtrans-53.1-41.3177177.6177.2170-176.10113.8R211 R215 D216 E217R211-K213 VanDerWaalsContact C-N 3.28Å; R211-K213 PolarHBondContact O-N 3.41Å; K213-R215 VanDerWaalsContact C-N 3.35Å; K213-D216 VanDerWaalsContact CA-OD2 3.27Å; K213-D216 WeakPolarHBondContact CA-OD2 3.42Å; K213-D216 PolarHBondContact N-OD2 3.33Å; K213-D216 WeakPolarHBondContact O-CB 3.28Å; K213-D216 PolarHBondContact O-N 2.93Å; K213-E217 WeakPolarHBondContact CE-OE1 3.28Å; K213-E217 IonicContact NZ-OE1 2.66Å; K213-E217 PolarHBondContact NZ-OE1 2.93Å; K213-E217 VanDerWaalsContact NZ-OE1 3.12Å; K213-E217 WeakPolarHBondContact O-CB 3.49Å; K213-E217 WeakPolarHBondContact O-CG 3.34Å; K213-E217 PolarHBondContact O-N 2.89Å
214Q92.9Very high92.1Very high111 Ų11159.1 Ų59.152%0.51929%0.287SS..Hα-helixtrans-69.1-35.2178.7-174.3-179.2-7.300111.2R211 R212 E217 Q218R211-Q214 WeakPolarHBondContact O-CA 3.47Å; R211-Q214 VanDerWaalsContact O-CB 3.28Å; R211-Q214 WeakPolarHBondContact O-CB 3.21Å; R211-Q214 PolarHBondContact O-N 2.88Å; R212-Q214 VanDerWaalsContact C-N 3.3Å; R212-Q214 PolarHBondContact O-N 3.48Å; Q214-E217 PolarHBondContact O-N 3.3Å; Q214-Q218 VanDerWaalsContact O-CB 3.29Å; Q214-Q218 WeakPolarHBondContact O-CB 3.47Å; Q214-Q218 PolarHBondContact O-N 2.95Å
215R93.4Very high92.2Very high5 Ų564.1 Ų64.12%0.01931%0.311CS..Hα-helixtrans-68.4-38.4172.2-46-171-44.3-156.94.6111.6Q209 P210 R211 R212 K213 Q218 L219 I540 D541 Y542Q209-R215 VanDerWaalsContact NE2-NH1 3.12Å; P210-R215 HydrophobicContact CB-CG 4.31Å; P210-R215 HydrophobicContact CG-CG 3.99Å; R211-R215 PolarHBondContact O-N 2.88Å; R212-R215 CarbonylContact O-C 3.37Å; R212-R215 WeakPolarHBondContact O-CA 3.26Å; R212-R215 WeakPolarHBondContact O-CB 3.43Å; R212-R215 PolarHBondContact O-N 3.47Å; K213-R215 VanDerWaalsContact C-N 3.35Å; R215-Q218 PolarHBondContact O-N 2.92Å; R215-L219 VanDerWaalsContact O-CB 3.29Å; R215-L219 WeakPolarHBondContact O-CB 3.21Å; R215-L219 PolarHBondContact O-N 2.89Å; R215-I540 HydrophobicContact CB-CG2 4.18Å; R215-D541 WeakPolarHBondContact CD-O 3.42Å; R215-D541 IonicContact CZ-OD2 3.67Å; R215-D541 PolarHBondContact NE-O 2.87Å; R215-D541 VanDerWaalsContact NH1-CG 3.32Å; R215-D541 IonicContact NH1-OD1 2.63Å; R215-D541 IonicContact NH1-OD2 3.37Å; R215-D541 PolarHBondContact NH1-OD2 2.72Å; R215-Y542 HydrophobicContact CB-CE2 4.35Å; R215-Y542 PolarHBondContact O-OH 3Å
216D92.8Very high92.4Very high31 Ų3164.4 Ų64.417%0.16631%0.312CS..Hα-helixtrans-60.7-47.3173.6-58.4-58.2000110.5R212 K213 L220 Y542R212-D216 VanDerWaalsContact C-OD2 3.28Å; R212-D216 IonicContact CZ-OD1 3.64Å; R212-D216 IonicContact CZ-OD2 2.95Å; R212-D216 IonicContact NH1-OD1 2.72Å; R212-D216 PolarHBondContact NH1-OD1 2.67Å; R212-D216 IonicContact NH1-OD2 3.84Å; R212-D216 PolarHBondContact NH1-OD2 3.24Å; R212-D216 IonicContact NH2-OD1 3.99Å; R212-D216 VanDerWaalsContact O-CG 3.28Å; R212-D216 PolarHBondContact O-N 2.84Å; K213-D216 VanDerWaalsContact CA-OD2 3.27Å; K213-D216 WeakPolarHBondContact CA-OD2 3.42Å; K213-D216 PolarHBondContact N-OD2 3.33Å; K213-D216 WeakPolarHBondContact O-CB 3.28Å; K213-D216 PolarHBondContact O-N 2.93Å; D216-L220 WeakPolarHBondContact O-CB 3.47Å; D216-L220 PolarHBondContact O-N 3.43Å; D216-Y542 VanDerWaalsContact CA-OH 3.24Å; D216-Y542 WeakPolarHBondContact CA-OH 3.46Å; D216-Y542 PolarHBondContact N-OH 3.41Å
217E92.6Very high92.5Very high100 Ų10060.6 Ų60.647%0.46729%0.289SS..Hα-helixtrans-66.2-39.9177.7-73.6172156.300112.3K213 Q214 T221K213-E217 WeakPolarHBondContact CE-OE1 3.28Å; K213-E217 IonicContact NZ-OE1 2.66Å; K213-E217 PolarHBondContact NZ-OE1 2.93Å; K213-E217 VanDerWaalsContact NZ-OE1 3.12Å; K213-E217 WeakPolarHBondContact O-CB 3.49Å; K213-E217 WeakPolarHBondContact O-CG 3.34Å; K213-E217 PolarHBondContact O-N 2.89Å; Q214-E217 PolarHBondContact O-N 3.3Å; E217-T221 WeakPolarHBondContact O-CB 3.49Å; E217-T221 PolarHBondContact O-N 2.87Å; E217-T221 PolarHBondContact O-OG1 3.45Å
218Q94.3Very high92.6Very high85 Ų8566 Ų6640%0.39731%0.308SS..Hα-helixtrans-66.5-46.4176.6-176.4-178.4-15.200112.1Q214 R215 T221 N222 I540Q214-Q218 VanDerWaalsContact O-CB 3.29Å; Q214-Q218 WeakPolarHBondContact O-CB 3.47Å; Q214-Q218 PolarHBondContact O-N 2.95Å; R215-Q218 PolarHBondContact O-N 2.92Å; Q218-T221 PolarHBondContact O-N 3Å; Q218-N222 PolarHBondContact O-N 2.89Å; Q218-I540 HydrophobicContact CG-CD1 4.03Å; Q218-I540 HydrophobicContact CG-CG1 4.44Å
219L94.9Very high92.8Very high2 Ų262.1 Ų62.11%0.0129%0.293CS..Hα-helixtrans-58.9-50.2176.2175.663.2000110.5R215 T221 N222 V223 I235 L246 L249 I354 I540 Y542R215-L219 VanDerWaalsContact O-CB 3.29Å; R215-L219 WeakPolarHBondContact O-CB 3.21Å; R215-L219 PolarHBondContact O-N 2.89Å; L219-T221 VanDerWaalsContact C-N 3.32Å; L219-T221 PolarHBondContact O-N 2.92Å; L219-N222 PolarHBondContact O-N 3.03Å; L219-V223 HydrophobicContact CD1-CG2 4.11Å; L219-V223 WeakPolarHBondContact O-CB 3.16Å; L219-V223 VanDerWaalsContact O-CG2 3.28Å; L219-V223 WeakPolarHBondContact O-CG2 3.37Å; L219-V223 PolarHBondContact O-N 2.81Å; L219-I235 HydrophobicContact CD1-CD1 4.47Å; L219-L246 HydrophobicContact CD2-CD2 3.91Å; L219-L249 HydrophobicContact CD2-CD2 3.93Å; L219-I354 HydrophobicContact CD1-CD1 3.75Å; L219-I354 HydrophobicContact CD1-CG2 4.15Å; L219-I540 HydrophobicContact CB-CD1 4.16Å; L219-I540 HydrophobicContact CD1-CD1 4.24Å; L219-Y542 HydrophobicContact CB-CE2 4.18Å; L219-Y542 HydrophobicContact CD2-CE2 3.77Å; L219-Y542 HydrophobicContact CG-CE2 4.47Å
220L92.9Very high93Very high45 Ų4565.4 Ų65.424%0.23631%0.311CS..Hα-helixtrans-62.6-38.8-179.8-174.955.3000112.3D216 M224 I253 L261D216-L220 WeakPolarHBondContact O-CB 3.47Å; D216-L220 PolarHBondContact O-N 3.43Å; L220-M224 HydrophobicContact CD1-CE 3.98Å; L220-M224 HydrophobicContact CD1-CG 4.07Å; L220-M224 HydrophobicContact CD2-CE 4.39Å; L220-M224 HydrophobicContact CG-CE 4.21Å; L220-M224 HydrophobicContact CG-CG 4.41Å; L220-M224 HydrophobicContact CG-SD 4.44Å; L220-M224 VanDerWaalsContact O-CB 3.3Å; L220-M224 WeakPolarHBondContact O-CB 3.42Å; L220-M224 WeakPolarHBondContact O-CG 3.43Å; L220-M224 PolarHBondContact O-N 2.99Å; L220-I253 HydrophobicContact CD1-CD1 4.31Å; L220-I253 HydrophobicContact CD1-CG2 3.66Å; L220-I253 HydrophobicContact CD2-CD1 4.49Å; L220-I253 HydrophobicContact CD2-CG2 4.48Å; L220-L261 HydrophobicContact CD1-CD1 3.82Å
221T93.8Very high93.3Very high89 Ų8963.4 Ų63.455%0.54630%0.298SS..Hα-helixtrans-64.5-48.7177.2-58.20000111.2E217 Q218 L219 V223 M224 E225E217-T221 WeakPolarHBondContact O-CB 3.49Å; E217-T221 PolarHBondContact O-N 2.87Å; E217-T221 PolarHBondContact O-OG1 3.45Å; Q218-T221 PolarHBondContact O-N 3Å; L219-T221 VanDerWaalsContact C-N 3.32Å; L219-T221 PolarHBondContact O-N 2.92Å; T221-V223 PolarHBondContact O-N 3.23Å; T221-M224 PolarHBondContact O-N 2.6Å; T221-E225 VanDerWaalsContact O-CB 3.32Å; T221-E225 WeakPolarHBondContact O-CB 3.46Å; T221-E225 PolarHBondContact O-N 3.1Å
222N94.9Very high93.5Very high9 Ų954.6 Ų54.65%0.04827%0.267CS..Hα-helixtrans-59.4-46.4178.7-173.3-8000111.3Q218 L219 T226 S352 I354 R536Q218-N222 PolarHBondContact O-N 2.89Å; L219-N222 PolarHBondContact O-N 3.03Å; N222-T226 WeakPolarHBondContact O-CB 3.31Å; N222-T226 PolarHBondContact O-N 3.45Å; N222-T226 VanDerWaalsContact O-N 3.1Å; N222-T226 PolarHBondContact O-OG1 3.07Å; N222-T226 PolarHBondContact OD1-OG1 2.65Å; N222-S352 PolarHBondContact ND2-OG 2.96Å; N222-S352 PolarHBondContact OD1-OG 2.96Å; N222-I354 HydrophobicContact CB-CD1 4.25Å; N222-R536 PolarHBondContact O-NH2 3.04Å; N222-R536 PolarHBondContact OD1-NE 3.05Å; N222-R536 VanDerWaalsContact OD1-NE 3.17Å; N222-R536 PolarHBondContact OD1-NH2 3.4Å
223V94.6Very high93.9Very high0 Ų051.7 Ų51.70%026%0.256CS..Hα-helixtrans-63.5-48.8178.2169.60000111.9L219 T221 E225 T226 L227 V233 W254 V325 I354L219-V223 HydrophobicContact CD1-CG2 4.11Å; L219-V223 WeakPolarHBondContact O-CB 3.16Å; L219-V223 VanDerWaalsContact O-CG2 3.28Å; L219-V223 WeakPolarHBondContact O-CG2 3.37Å; L219-V223 PolarHBondContact O-N 2.81Å; T221-V223 PolarHBondContact O-N 3.23Å; V223-E225 PolarHBondContact O-N 2.94Å; V223-T226 PolarHBondContact O-N 2.55Å; V223-L227 HydrophobicContact CG1-CD1 3.75Å; V223-L227 HydrophobicContact CG1-CG 4.45Å; V223-L227 WeakPolarHBondContact O-CB 3.23Å; V223-L227 VanDerWaalsContact O-CG 3.3Å; V223-L227 WeakPolarHBondContact O-CG 3.34Å; V223-L227 PolarHBondContact O-N 3.04Å; V223-V233 HydrophobicContact CG2-CG1 4.31Å; V223-W254 HydrophobicContact CG1-CH2 3.8Å; V223-W254 HydrophobicContact CG1-CZ3 4.38Å; V223-V325 HydrophobicContact CG1-CG2 3.85Å; V223-I354 HydrophobicContact CG2-CD1 3.97Å
224M92.3Very high94.2Very high31 Ų3145.1 Ų45.115%0.15323%0.227CC..Hα-helixtrans-62.2-40.8179.4-82.5-166.5173.900112.9L220 T221 R228 A259 L261L220-M224 HydrophobicContact CD1-CE 3.98Å; L220-M224 HydrophobicContact CD1-CG 4.07Å; L220-M224 HydrophobicContact CD2-CE 4.39Å; L220-M224 HydrophobicContact CG-CE 4.21Å; L220-M224 HydrophobicContact CG-CG 4.41Å; L220-M224 HydrophobicContact CG-SD 4.44Å; L220-M224 VanDerWaalsContact O-CB 3.3Å; L220-M224 WeakPolarHBondContact O-CB 3.42Å; L220-M224 WeakPolarHBondContact O-CG 3.43Å; L220-M224 PolarHBondContact O-N 2.99Å; T221-M224 PolarHBondContact O-N 2.6Å; M224-R228 VanDerWaalsContact O-CB 3.3Å; M224-R228 WeakPolarHBondContact O-CB 3.26Å; M224-R228 WeakPolarHBondContact O-CD 3.34Å; M224-R228 WeakPolarHBondContact O-CG 3.4Å; M224-R228 PolarHBondContact O-N 3.41Å; M224-R228 VanDerWaalsContact O-N 3.08Å; M224-A259 HydrophobicContact CE-CB 3.63Å; M224-L261 HydrophobicContact CE-CD1 3.87Å; M224-L261 HydrophobicContact CE-CG 4.14Å; M224-L261 HydrophobicContact CG-CD1 4.27Å; M224-L261 HydrophobicContact CG-CD2 4.14Å; M224-L261 HydrophobicContact CG-CG 4.5Å
225E94.3Very high94.4Very high106 Ų10639.9 Ų39.950%0.49520%0.203SC..Hα-helixtrans-66.6-46.7-179.8-173.1-178-165.700111.3T221 V223 R228 G229 R536T221-E225 VanDerWaalsContact O-CB 3.32Å; T221-E225 WeakPolarHBondContact O-CB 3.46Å; T221-E225 PolarHBondContact O-N 3.1Å; V223-E225 PolarHBondContact O-N 2.94Å; E225-R228 PolarHBondContact O-N 3.43Å; E225-G229 PolarHBondContact O-N 3.09Å; E225-R536 IonicContact OE1-NH1 2.67Å; E225-R536 IonicContact OE2-CZ 2.65Å; E225-R536 IonicContact OE2-NH1 3.48Å; E225-R536 PolarHBondContact OE2-NH1 2.91Å; E225-R536 IonicContact OE2-NH2 2.83Å; E225-R536 PolarHBondContact OE2-NH2 2.84Å
226T95.4Very high94.6Very high7 Ų739.7 Ų39.74%0.04320%0.202CC..Hα-helixtrans-61.2-48.1178.4-55.30000111.9N222 V223 R228 G229 D230 G231 N232 V233 K350 S352N222-T226 WeakPolarHBondContact O-CB 3.31Å; N222-T226 PolarHBondContact O-N 3.45Å; N222-T226 VanDerWaalsContact O-N 3.1Å; N222-T226 PolarHBondContact O-OG1 3.07Å; N222-T226 PolarHBondContact OD1-OG1 2.65Å; V223-T226 PolarHBondContact O-N 2.55Å; T226-R228 VanDerWaalsContact C-N 3.34Å; T226-R228 PolarHBondContact O-N 2.92Å; T226-G229 CarbonylContact O-C 3.59Å; T226-G229 WeakPolarHBondContact O-CA 3.43Å; T226-G229 PolarHBondContact O-N 2.82Å; T226-G229 VanDerWaalsContact O-N 3.09Å; T226-D230 PolarHBondContact O-N 2.91Å; T226-G231 PolarHBondContact O-N 2.76Å; T226-N232 WeakPolarHBondContact CG2-O 3.35Å; T226-V233 HydrophobicContact CG2-CG2 3.57Å; T226-K350 WeakPolarHBondContact CG2-O 3.35Å; T226-S352 VanDerWaalsContact OG1-CB 3.25Å; T226-S352 WeakPolarHBondContact OG1-CB 3.39Å
227L93.7Very high94.7Very high2 Ų238.2 Ų38.21%0.0119%0.194CC..Hα-helixtrans-64.6-37178.5-68.9172000112.4V223 G229 D230 W254 L261 Y264 P323 V325V223-L227 HydrophobicContact CG1-CD1 3.75Å; V223-L227 HydrophobicContact CG1-CG 4.45Å; V223-L227 WeakPolarHBondContact O-CB 3.23Å; V223-L227 VanDerWaalsContact O-CG 3.3Å; V223-L227 WeakPolarHBondContact O-CG 3.34Å; V223-L227 PolarHBondContact O-N 3.04Å; L227-G229 VanDerWaalsContact C-N 3.29Å; L227-D230 PolarHBondContact O-N 3.42Å; L227-W254 HydrophobicContact CD1-CH2 4.19Å; L227-W254 HydrophobicContact CD1-CZ2 4.12Å; L227-L261 HydrophobicContact CD1-CD2 3.77Å; L227-Y264 HydrophobicContact CB-CD1 4.36Å; L227-Y264 HydrophobicContact CB-CD2 4Å; L227-Y264 HydrophobicContact CB-CE1 4.28Å; L227-Y264 HydrophobicContact CB-CE2 3.92Å; L227-Y264 HydrophobicContact CB-CG 4.2Å; L227-Y264 HydrophobicContact CD1-CD2 3.78Å; L227-Y264 HydrophobicContact CD1-CE2 4.44Å; L227-Y264 HydrophobicContact CD1-CG 4Å; L227-Y264 HydrophobicContact CD2-CD1 4.41Å; L227-Y264 HydrophobicContact CD2-CG 4.22Å; L227-Y264 HydrophobicContact CG-CD2 4.39Å; L227-Y264 HydrophobicContact CG-CG 4.38Å; L227-P323 HydrophobicContact CD2-CB 3.99Å; L227-P323 HydrophobicContact CD2-CG 4.33Å; L227-V325 HydrophobicContact CD1-CG2 3.82Å; L227-V325 HydrophobicContact CD2-CG2 4.02Å; L227-V325 HydrophobicContact CG-CG2 4.2Å
228R92.3Very high94.8Very high170 Ų17034 Ų3464%0.64218%0.175SC*.Hα-helixtrans-71.7-22.9174-72.2170.7-176.5169.54.3113M224 E225 T226 D230M224-R228 VanDerWaalsContact O-CB 3.3Å; M224-R228 WeakPolarHBondContact O-CB 3.26Å; M224-R228 WeakPolarHBondContact O-CD 3.34Å; M224-R228 WeakPolarHBondContact O-CG 3.4Å; M224-R228 PolarHBondContact O-N 3.41Å; M224-R228 VanDerWaalsContact O-N 3.08Å; E225-R228 PolarHBondContact O-N 3.43Å; T226-R228 VanDerWaalsContact C-N 3.34Å; T226-R228 PolarHBondContact O-N 2.92Å; R228-D230 PolarHBondContact O-N 3.49Å
229G93.5Very high94.7Very high39 Ų3930 Ų3040%0.40216%0.156SC..THydrogen-bonded Turntrans-79.63.4170.900000114.6E225 T226 L227 G231E225-G229 PolarHBondContact O-N 3.09Å; T226-G229 CarbonylContact O-C 3.59Å; T226-G229 WeakPolarHBondContact O-CA 3.43Å; T226-G229 PolarHBondContact O-N 2.82Å; T226-G229 VanDerWaalsContact O-N 3.09Å; L227-G229 VanDerWaalsContact C-N 3.29Å; G229-G231 PolarHBondContact O-N 3.38Å
230D94.3Very high94.6Very high94 Ų9429.9 Ų29.950%0.50316%0.156SC..THydrogen-bonded Turntrans59.534.5-173.9-17656.1000112.4T226 L227 R228 K350T226-D230 PolarHBondContact O-N 2.91Å; L227-D230 PolarHBondContact O-N 3.42Å; R228-D230 PolarHBondContact O-N 3.49Å; D230-K350 WeakPolarHBondContact O-CD 3.29Å; D230-K350 PolarHBondContact O-NZ 3.24Å; D230-K350 IonicContact OD2-NZ 3.42Å; D230-K350 PolarHBondContact OD2-NZ 2.71Å
231G95.1Very high94.6Very high0 Ų027.7 Ų27.70%014%0.144CC..  trans-108.2157.3173.400000112.4T226 G229 P323T226-G231 PolarHBondContact O-N 2.76Å; G229-G231 PolarHBondContact O-N 3.38Å; G231-P323 VanDerWaalsContact O-CB 3.23Å; G231-P323 WeakPolarHBondContact O-CB 3.23Å
232N96.3Very high94.6Very high22 Ų2223.7 Ų23.712%0.11812%0.119CC..  trans-91.9153.4173.9-51.4-89.5000110.4T226 K324 W345 N351 S352T226-N232 WeakPolarHBondContact CG2-O 3.35Å; N232-K324 WeakPolarHBondContact CA-O 3.32Å; N232-K324 PolarHBondContact OD1-N 3.43Å; N232-K324 PolarHBondContact OD1-NZ 2.83Å; N232-W345 HydrophobicContact CB-CD2 4.12Å; N232-W345 HydrophobicContact CB-CE3 3.76Å; N232-W345 HydrophobicContact CB-CH2 3.6Å; N232-W345 HydrophobicContact CB-CZ2 3.95Å; N232-W345 HydrophobicContact CB-CZ3 3.51Å; N232-N351 PolarHBondContact N-OD1 3Å; N232-N351 PolarHBondContact ND2-OD1 3.36Å; N232-N351 WeakPolarHBondContact O-CA 3.03Å; N232-S352 PolarHBondContact O-N 3.22Å; N232-S352 VanDerWaalsContact O-N 3.07Å
233V97.4Very high94.6Very high0 Ų023.3 Ų23.30%012%0.117CC..EExtended strand (participates in β ladder)trans-112.4119173.7-1720000109.4V223 T226 I235 K324 V325 V326 S352 I354V223-V233 HydrophobicContact CG2-CG1 4.31Å; T226-V233 HydrophobicContact CG2-CG2 3.57Å; V233-I235 HydrophobicContact CG1-CD1 4.38Å; V233-I235 HydrophobicContact CG1-CG1 3.8Å; V233-K324 PolarHBondContact N-O 3.1Å; V233-V325 HydrophobicContact CB-CB 4.37Å; V233-V325 HydrophobicContact CB-CG1 4.2Å; V233-V325 HydrophobicContact CB-CG2 4.02Å; V233-V325 HydrophobicContact CG1-CG1 4.49Å; V233-V325 HydrophobicContact CG2-CG2 4.07Å; V233-V325 WeakPolarHBondContact O-CA 3.48Å; V233-V326 PolarHBondContact O-N 3.21Å; V233-S352 WeakPolarHBondContact CA-O 3.5Å; V233-I354 HydrophobicContact CG1-CD1 3.72Å; V233-I354 HydrophobicContact CG1-CG1 3.98Å
234L97.2Very high94.7Very high0 Ų023.5 Ų23.50%012%0.118CC..EExtended strand (participates in β ladder)trans-88130.4162.5172.459.3000108.2C328 L341 F342 W345 S352 V353 I354L234-C328 HydrophobicContact CD1-CB 3.83Å; L234-C328 WeakPolarHBondContact CD1-SG 3.45Å; L234-L341 HydrophobicContact CD1-CB 4.23Å; L234-L341 HydrophobicContact CD2-CB 4.26Å; L234-F342 HydrophobicContact CD2-CB 3.95Å; L234-W345 HydrophobicContact CB-CE3 3.96Å; L234-W345 HydrophobicContact CB-CZ3 4.18Å; L234-S352 PolarHBondContact N-O 3.38Å; L234-V353 HydrophobicContact CB-CG2 4.42Å; L234-V353 HydrophobicContact CD2-CG1 4.19Å; L234-V353 HydrophobicContact CD2-CG2 4.38Å; L234-V353 HydrophobicContact CG-CG1 4.45Å; L234-V353 WeakPolarHBondContact O-CA 3.38Å; L234-I354 PolarHBondContact O-N 3.1Å
235I97.4Very high94.8Very high0 Ų022 Ų220%011%0.111CC..EExtended strand (participates in β ladder)trans-120.9110.3170-49.1-177000107.2L219 V233 V237 L250 V325 V326 L327 C328 I354 T356L219-I235 HydrophobicContact CD1-CD1 4.47Å; V233-I235 HydrophobicContact CG1-CD1 4.38Å; V233-I235 HydrophobicContact CG1-CG1 3.8Å; I235-V237 HydrophobicContact CG2-CG1 3.84Å; I235-V237 PolarHBondContact O-N 3.37Å; I235-L250 HydrophobicContact CD1-CD1 4.02Å; I235-V325 HydrophobicContact CD1-CG1 3.61Å; I235-V325 HydrophobicContact CG1-CG1 4.11Å; I235-V326 PolarHBondContact N-O 3.24Å; I235-L327 HydrophobicContact CB-CD2 4.09Å; I235-L327 HydrophobicContact CD1-CD2 4.19Å; I235-L327 HydrophobicContact CG2-CD2 4.15Å; I235-C328 PolarHBondContact O-N 2.86Å; I235-I354 WeakPolarHBondContact CA-O 3.47Å; I235-I354 HydrophobicContact CG1-CB 4.27Å; I235-I354 HydrophobicContact CG1-CD1 4.49Å; I235-I354 HydrophobicContact CG2-CB 4.32Å; I235-I354 HydrophobicContact CG2-CG2 4.48Å; I235-T356 HydrophobicContact CG2-CG2 3.5Å; I235-T356 VanDerWaalsContact CG2-CG2 3.5Å
236A96.1Very high94.8Very high1 Ų117 Ų171%0.0089%0.087CC..EExtended strand (participates in β ladder)trans-79.5119.217900000109.1L333 I354 L355 T356A236-L333 HydrophobicContact CB-CD2 4.32Å; A236-I354 PolarHBondContact N-O 3.35Å; A236-L355 HydrophobicContact CB-CD2 3.84Å; A236-T356 PolarHBondContact O-OG1 2.78Å
237V95.3Very high94.8Very high0 Ų016.7 Ų16.70%09%0.086CC..EExtended strand (participates in β ladder)trans-138.3171.3-173-61.50000110.9I235 V243 L246 L327 C328 S329 Q330 P331 T356I235-V237 HydrophobicContact CG2-CG1 3.84Å; I235-V237 PolarHBondContact O-N 3.37Å; V237-V243 HydrophobicContact CB-CB 4.26Å; V237-V243 HydrophobicContact CG2-CB 4Å; V237-V243 HydrophobicContact CG2-CG2 3.83Å; V237-L246 HydrophobicContact CG1-CD1 3.51Å; V237-L327 HydrophobicContact CG1-CD2 4.03Å; V237-L327 HydrophobicContact CG2-CB 4.12Å; V237-C328 VanDerWaalsContact CG2-O 3.25Å; V237-C328 WeakPolarHBondContact CG2-O 3.38Å; V237-C328 PolarHBondContact N-O 2.91Å; V237-C328 VanDerWaalsContact O-O 3.04Å; V237-S329 CarbonylContact O-C 3.57Å; V237-S329 WeakPolarHBondContact O-CA 3.12Å; V237-Q330 CarbonylContact O-C 3.54Å; V237-Q330 PolarHBondContact O-N 3.43Å; V237-P331 WeakPolarHBondContact O-CD 3.27Å; V237-T356 HydrophobicContact CG1-CG2 4.47Å
238D94.3Very high94.7Very high11 Ų1116.9 Ų16.96%0.0599%0.087CC..  trans-79.7170.2172.271.1-47.6000112.5F97 G241 R242 V243F97-D238 HydrophobicContact CE1-CB 3.88Å; F97-D238 HydrophobicContact CZ-CB 3.9Å; F97-D238 WeakPolarHBondContact CZ-OD2 3.37Å; D238-G241 VanDerWaalsContact OD2-C 3.26Å; D238-G241 WeakPolarHBondContact OD2-CA 3.42Å; D238-G241 PolarHBondContact OD2-N 2.93Å; D238-R242 VanDerWaalsContact CG-N 3.26Å; D238-R242 WeakPolarHBondContact OD1-CA 3.3Å; D238-R242 VanDerWaalsContact OD1-CB 3.24Å; D238-R242 WeakPolarHBondContact OD1-CB 3.46Å; D238-R242 PolarHBondContact OD1-N 3.23Å; D238-R242 PolarHBondContact OD2-N 3.48Å; D238-V243 WeakPolarHBondContact O-CB 3.38Å; D238-V243 WeakPolarHBondContact O-CG1 3.45Å; D238-V243 PolarHBondContact OD1-N 2.84Å
239T93.2Very high94.7Very high1 Ų19.4 Ų9.41%0.0066%0.059CC..SBendtrans-74.3-38.5-173.3-56.90000113.7D100 N270 V272 V276D100-T239 HydrophobicContact CB-CG2 3.49Å; D100-T239 VanDerWaalsContact CB-CG2 3.49Å; D100-T239 WeakPolarHBondContact OD2-CB 3.31Å; D100-T239 VanDerWaalsContact OD2-CG2 3.22Å; D100-T239 WeakPolarHBondContact OD2-CG2 3.33Å; D100-T239 PolarHBondContact OD2-OG1 2.9Å; T239-N270 PolarHBondContact O-ND2 3.13Å; T239-V272 HydrophobicContact CG2-CG2 4.04Å; T239-V276 HydrophobicContact CG2-CG2 4.37Å
240A93.1Very high94.7Very high0 Ų07.6 Ų7.60%04%0.04CC..SBendtrans-148.6-0.9-165.300000117.5M93 M96 F97 L244 V276M93-A240 HydrophobicContact CB-CB 3.86Å; M93-A240 HydrophobicContact CG-CB 4.25Å; M93-A240 HydrophobicContact SD-CB 3.98Å; M96-A240 HydrophobicContact CB-CB 4.47Å; F97-A240 HydrophobicContact CD2-CB 3.95Å; F97-A240 HydrophobicContact CE2-CB 3.79Å; A240-L244 WeakPolarHBondContact O-CD1 3.42Å; A240-V276 HydrophobicContact CB-CG1 3.95Å; A240-V276 HydrophobicContact CB-CG2 3.92Å
241G92.6Very high94.6Very high0 Ų03.1 Ų3.10%02%0.017CC..SBendtrans-106.8-87.3179.700000113.3D238 V243 L244D238-G241 VanDerWaalsContact OD2-C 3.26Å; D238-G241 WeakPolarHBondContact OD2-CA 3.42Å; D238-G241 PolarHBondContact OD2-N 2.93Å; G241-V243 VanDerWaalsContact C-N 3.26Å; G241-V243 PolarHBondContact O-N 2.92Å; G241-L244 VanDerWaalsContact O-CB 3.26Å; G241-L244 WeakPolarHBondContact O-CB 3.28Å; G241-L244 WeakPolarHBondContact O-CG 3.42Å; G241-L244 PolarHBondContact O-N 3.04Å
242R93.9Very high94.2Very high4 Ų46.3 Ų6.32%0.0153%0.031CC..Hα-helixtrans-64.6-28.9-174.1-52.7-57.2-55.3147.56.6112.6H153 M154 E181 D238 L244 E245 L246 Y542 E543H153-R242 WeakPolarHBondContact O-CD 3.15Å; H153-R242 PolarHBondContact O-NH1 3.08Å; M154-R242 HydrophobicContact CE-CG 4.49Å; E181-R242 IonicContact OE1-NH2 3.78Å; E181-R242 PolarHBondContact OE1-NH2 2.96Å; E181-R242 IonicContact OE2-CZ 2.66Å; E181-R242 IonicContact OE2-NH1 2.7Å; E181-R242 PolarHBondContact OE2-NH1 3.22Å; E181-R242 IonicContact OE2-NH2 3.7Å; E181-R242 PolarHBondContact OE2-NH2 3.49Å; D238-R242 VanDerWaalsContact CG-N 3.26Å; D238-R242 WeakPolarHBondContact OD1-CA 3.3Å; D238-R242 VanDerWaalsContact OD1-CB 3.24Å; D238-R242 WeakPolarHBondContact OD1-CB 3.46Å; D238-R242 PolarHBondContact OD1-N 3.23Å; D238-R242 PolarHBondContact OD2-N 3.48Å; R242-L244 PolarHBondContact O-N 2.92Å; R242-E245 WeakPolarHBondContact O-CB 3.37Å; R242-E245 PolarHBondContact O-N 3.34Å; R242-L246 PolarHBondContact O-N 3.36Å; R242-Y542 VanDerWaalsContact CZ-O 3.3Å; R242-Y542 PolarHBondContact NE-O 2.93Å; R242-Y542 PolarHBondContact NH2-O 3.43Å; R242-E543 VanDerWaalsContact CD-O 3.31Å; R242-E543 WeakPolarHBondContact CD-O 3.3Å; R242-E543 PolarHBondContact NE-O 3.24Å
243V95.4Very high93.9Very high1 Ų16.7 Ų6.71%0.0063%0.033CC..Hα-helixtrans-54.1-29.4169.3650000112.9V237 D238 G241 L246 A247 L268 L327V237-V243 HydrophobicContact CB-CB 4.26Å; V237-V243 HydrophobicContact CG2-CB 4Å; V237-V243 HydrophobicContact CG2-CG2 3.83Å; D238-V243 WeakPolarHBondContact O-CB 3.38Å; D238-V243 WeakPolarHBondContact O-CG1 3.45Å; D238-V243 PolarHBondContact OD1-N 2.84Å; G241-V243 VanDerWaalsContact C-N 3.26Å; G241-V243 PolarHBondContact O-N 2.92Å; V243-L246 PolarHBondContact O-N 2.65Å; V243-A247 WeakPolarHBondContact O-CB 3.11Å; V243-A247 PolarHBondContact O-N 2.85Å; V243-L268 HydrophobicContact CG2-CD1 3.57Å; V243-L268 HydrophobicContact CG2-CG 4.37Å; V243-L327 HydrophobicContact CG2-CB 4.38Å; V243-L327 HydrophobicContact CG2-CD1 4.31Å
244L94.8Very high93.5Very high4 Ų47 Ų72%0.0213%0.034CC..Hα-helixtrans-69.2-34.3175.7-59.7-178.4000112.4M93 I155 A240 G241 R242 Q248 V276 F303M93-L244 HydrophobicContact CE-CD1 4.32Å; I155-L244 HydrophobicContact CB-CD1 4.33Å; I155-L244 HydrophobicContact CD1-CD1 4.22Å; I155-L244 HydrophobicContact CG2-CD1 3.93Å; A240-L244 WeakPolarHBondContact O-CD1 3.42Å; G241-L244 VanDerWaalsContact O-CB 3.26Å; G241-L244 WeakPolarHBondContact O-CB 3.28Å; G241-L244 WeakPolarHBondContact O-CG 3.42Å; G241-L244 PolarHBondContact O-N 3.04Å; R242-L244 PolarHBondContact O-N 2.92Å; L244-Q248 WeakPolarHBondContact O-CB 3.48Å; L244-Q248 PolarHBondContact O-N 3.21Å; L244-V276 HydrophobicContact CD2-CG1 4.17Å; L244-F303 HydrophobicContact CB-CE1 3.8Å; L244-F303 HydrophobicContact CB-CZ 4.2Å; L244-F303 HydrophobicContact CD2-CD1 4.18Å; L244-F303 HydrophobicContact CD2-CE1 3.87Å; L244-F303 HydrophobicContact CG-CE1 4.32Å
245E94.4Very high93Very high0 Ų011.5 Ų11.50%05%0.051CC..Hα-helixtrans-68.8-44.8172.5-175.168.1-172.500110.7E181 I182 H183 R212 R242 L249E181-E245 WeakPolarHBondContact CB-OE1 3.39Å; I182-E245 WeakPolarHBondContact CB-OE1 3.36Å; I182-E245 WeakPolarHBondContact CB-OE2 3.35Å; I182-E245 WeakPolarHBondContact CG1-OE1 3.37Å; I182-E245 PolarHBondContact N-OE1 3.26Å; I182-E245 PolarHBondContact N-OE2 2.89Å; I182-E245 VanDerWaalsContact N-OE2 3.15Å; H183-E245 IonicContact CE1-OE2 3.56Å; H183-E245 IonicContact CG-OE2 3.55Å; H183-E245 PolarHBondContact N-OE2 2.86Å; H183-E245 IonicContact ND1-OE2 2.66Å; H183-E245 PolarHBondContact ND1-OE2 3.43Å; R212-E245 IonicContact CZ-OE1 3.96Å; R212-E245 IonicContact NE-OE1 3.59Å; R212-E245 IonicContact NH2-OE1 3.35Å; R212-E245 PolarHBondContact NH2-OE1 3.04Å; R242-E245 WeakPolarHBondContact O-CB 3.37Å; R242-E245 PolarHBondContact O-N 3.34Å; E245-L249 VanDerWaalsContact O-CB 3.26Å; E245-L249 WeakPolarHBondContact O-CB 3.2Å; E245-L249 PolarHBondContact O-N 2.93Å
246L94.8Very high92.3Very high0 Ų015.2 Ų15.20%07%0.074CC..Hα-helixtrans-72.1-44.4-176.7-75.2167.3000113.1L219 V237 R242 V243 Q248 L249 L250 L327 T356 Y542L219-L246 HydrophobicContact CD2-CD2 3.91Å; V237-L246 HydrophobicContact CG1-CD1 3.51Å; R242-L246 PolarHBondContact O-N 3.36Å; V243-L246 PolarHBondContact O-N 2.65Å; L246-Q248 VanDerWaalsContact C-N 3.28Å; L246-Q248 PolarHBondContact O-N 3.47Å; L246-L249 PolarHBondContact O-N 3.18Å; L246-L250 WeakPolarHBondContact O-CB 3.32Å; L246-L250 VanDerWaalsContact O-CG 3.26Å; L246-L250 WeakPolarHBondContact O-CG 3.29Å; L246-L250 PolarHBondContact O-N 2.95Å; L246-L327 HydrophobicContact CB-CD2 4.1Å; L246-T356 HydrophobicContact CD1-CG2 3.89Å; L246-Y542 HydrophobicContact CD2-CD1 3.92Å; L246-Y542 HydrophobicContact CD2-CD2 3.97Å; L246-Y542 HydrophobicContact CD2-CE1 4.2Å; L246-Y542 HydrophobicContact CD2-CE2 4.26Å; L246-Y542 HydrophobicContact CD2-CG 3.8Å; L246-Y542 HydrophobicContact CG-CG 4.44Å
247A94.8Very high91Very high1 Ų124.7 Ų24.71%0.00812%0.115CC..Hα-helixtrans-59.2-41.5173.600000111.3V243 L250 D251 F305 L308 L327V243-A247 WeakPolarHBondContact O-CB 3.11Å; V243-A247 PolarHBondContact O-N 2.85Å; A247-L250 PolarHBondContact O-N 2.9Å; A247-D251 WeakPolarHBondContact O-CB 3.49Å; A247-D251 PolarHBondContact O-N 3.06Å; A247-F305 HydrophobicContact CB-CE1 4.19Å; A247-F305 HydrophobicContact CB-CE2 4.32Å; A247-F305 HydrophobicContact CB-CZ 3.75Å; A247-L308 HydrophobicContact CB-CD2 4.1Å; A247-L327 HydrophobicContact CB-CD1 3.82Å
248Q92.9Very high89.9Confident7 Ų732.5 Ų32.53%0.03316%0.157CC..Hα-helixtrans-74.8-31.2179.8-177.960.9-32.600113.4I182 L244 L246 Q252 P302 F303 F305I182-Q248 HydrophobicContact CG2-CG 3.74Å; L244-Q248 WeakPolarHBondContact O-CB 3.48Å; L244-Q248 PolarHBondContact O-N 3.21Å; L246-Q248 VanDerWaalsContact C-N 3.28Å; L246-Q248 PolarHBondContact O-N 3.47Å; Q248-Q252 VanDerWaalsContact CD-NE2 3.33Å; Q248-Q252 WeakPolarHBondContact O-CB 3.46Å; Q248-Q252 WeakPolarHBondContact O-CG 3.42Å; Q248-Q252 PolarHBondContact O-N 3.47Å; Q248-Q252 PolarHBondContact O-NE2 3.22Å; Q248-P302 PolarHBondContact NE2-O 3.37Å; Q248-P302 PolarHBondContact OE1-O 3.21Å; Q248-F303 HydrophobicContact CB-CE1 4.41Å; Q248-F303 HydrophobicContact CB-CZ 4.4Å; Q248-F305 HydrophobicContact CB-CE1 4.4Å
249L92.5Very high88.8Confident13 Ų1332.9 Ų32.97%0.06816%0.161CC..Hα-helixtrans-65.3-49.3169.1176.360.5000110.9I182 L219 E245 L246 Q252 I253 Y542I182-L249 HydrophobicContact CD1-CB 4.07Å; I182-L249 HydrophobicContact CD1-CD1 3.89Å; L219-L249 HydrophobicContact CD2-CD2 3.93Å; E245-L249 VanDerWaalsContact O-CB 3.26Å; E245-L249 WeakPolarHBondContact O-CB 3.2Å; E245-L249 PolarHBondContact O-N 2.93Å; L246-L249 PolarHBondContact O-N 3.18Å; L249-Q252 PolarHBondContact O-N 2.81Å; L249-I253 HydrophobicContact CD1-CD1 3.89Å; L249-I253 HydrophobicContact CG-CD1 4.04Å; L249-I253 VanDerWaalsContact O-CG1 3.32Å; L249-I253 WeakPolarHBondContact O-CG1 3.46Å; L249-I253 PolarHBondContact O-N 3.49Å; L249-I253 VanDerWaalsContact O-N 3.09Å; L249-Y542 HydrophobicContact CD2-CE1 3.87Å
250L92.9Very high88.1Confident1 Ų135.1 Ų35.11%0.00518%0.184CC..Hα-helixtrans-69.7-45-175.9-66.6169.3000112.2I235 L246 A247 Q252 I253 W254 L266 L327I235-L250 HydrophobicContact CD1-CD1 4.02Å; L246-L250 WeakPolarHBondContact O-CB 3.32Å; L246-L250 VanDerWaalsContact O-CG 3.26Å; L246-L250 WeakPolarHBondContact O-CG 3.29Å; L246-L250 PolarHBondContact O-N 2.95Å; A247-L250 PolarHBondContact O-N 2.9Å; L250-Q252 VanDerWaalsContact C-N 3.3Å; L250-Q252 PolarHBondContact O-N 3.21Å; L250-I253 CarbonylContact O-C 3.6Å; L250-I253 WeakPolarHBondContact O-CB 3.37Å; L250-I253 PolarHBondContact O-N 3.33Å; L250-I253 VanDerWaalsContact O-N 3.1Å; L250-W254 HydrophobicContact CB-CE3 4.43Å; L250-W254 HydrophobicContact CB-CZ3 4.4Å; L250-W254 HydrophobicContact CD2-CZ3 3.85Å; L250-W254 VanDerWaalsContact O-CE3 3.27Å; L250-W254 PolarHBondContact O-N 2.87Å; L250-L266 HydrophobicContact CB-CD1 4.28Å; L250-L266 HydrophobicContact CB-CD2 3.78Å; L250-L266 HydrophobicContact CD1-CD1 4.02Å; L250-L327 HydrophobicContact CD1-CD1 4.44Å; L250-L327 HydrophobicContact CD1-CD2 4.01Å; L250-L327 HydrophobicContact CD1-CG 4.41Å
251D91.3Very high87.6Confident0 Ų035.2 Ų35.20%019%0.185CC..Hα-helixtrans-67.4-29.5178-16990.2000111.9A247 R255 F305 R306 H307A247-D251 WeakPolarHBondContact O-CB 3.49Å; A247-D251 PolarHBondContact O-N 3.06Å; D251-R255 WeakPolarHBondContact O-CB 3.48Å; D251-R255 WeakPolarHBondContact O-CD 3.39Å; D251-R255 WeakPolarHBondContact O-CG 3.46Å; D251-R255 PolarHBondContact O-N 3.09Å; D251-R255 IonicContact OD2-CZ 2.81Å; D251-R255 IonicContact OD2-NE 2.67Å; D251-R255 PolarHBondContact OD2-NE 3.38Å; D251-R255 IonicContact OD2-NH2 3.95Å; D251-R255 PolarHBondContact OD2-NH2 3.33Å; D251-F305 HydrophobicContact CB-CD1 3.69Å; D251-F305 HydrophobicContact CB-CE1 4.32Å; D251-R306 PolarHBondContact OD1-N 3.15Å; D251-H307 IonicContact OD1-CD2 3.6Å; D251-H307 PolarHBondContact OD1-N 3.46Å
252Q88.7Confident86.9Confident67 Ų6737.7 Ų37.731%0.31321%0.21SC..Hα-helixtrans-64.8-41.2168.4-77.7176.94000112.8Q248 L249 L250 T256Q248-Q252 VanDerWaalsContact CD-NE2 3.33Å; Q248-Q252 WeakPolarHBondContact O-CB 3.46Å; Q248-Q252 WeakPolarHBondContact O-CG 3.42Å; Q248-Q252 PolarHBondContact O-N 3.47Å; Q248-Q252 PolarHBondContact O-NE2 3.22Å; L249-Q252 PolarHBondContact O-N 2.81Å; L250-Q252 VanDerWaalsContact C-N 3.3Å; L250-Q252 PolarHBondContact O-N 3.21Å; Q252-T256 PolarHBondContact O-OG1 3.23Å
253I88.6Confident86.5Confident29 Ų2943.5 Ų43.515%0.14925%0.246CC..Hα-helixtrans-66.7-44.7175.7-71.6167.5000110.8L220 L249 L250 R255 T256 L261L220-I253 HydrophobicContact CD1-CD1 4.31Å; L220-I253 HydrophobicContact CD1-CG2 3.66Å; L220-I253 HydrophobicContact CD2-CD1 4.49Å; L220-I253 HydrophobicContact CD2-CG2 4.48Å; L249-I253 HydrophobicContact CD1-CD1 3.89Å; L249-I253 HydrophobicContact CG-CD1 4.04Å; L249-I253 VanDerWaalsContact O-CG1 3.32Å; L249-I253 WeakPolarHBondContact O-CG1 3.46Å; L249-I253 PolarHBondContact O-N 3.49Å; L249-I253 VanDerWaalsContact O-N 3.09Å; L250-I253 CarbonylContact O-C 3.6Å; L250-I253 WeakPolarHBondContact O-CB 3.37Å; L250-I253 PolarHBondContact O-N 3.33Å; L250-I253 VanDerWaalsContact O-N 3.1Å; I253-R255 VanDerWaalsContact C-N 3.33Å; I253-R255 PolarHBondContact O-N 3.16Å; I253-T256 WeakPolarHBondContact O-CA 3.49Å; I253-T256 VanDerWaalsContact O-CB 3.26Å; I253-T256 WeakPolarHBondContact O-CB 3.47Å; I253-T256 PolarHBondContact O-N 3.22Å; I253-L261 HydrophobicContact CG2-CD1 3.67Å
254W90.1Very high86.4Confident7 Ų746.2 Ų46.23%0.02726%0.257CS..Hα-helixtrans-62.9-35.6178.1-99.9-115.6000113.1V223 L227 L250 T256 L261 Y264 L266 H307 V325V223-W254 HydrophobicContact CG1-CH2 3.8Å; V223-W254 HydrophobicContact CG1-CZ3 4.38Å; L227-W254 HydrophobicContact CD1-CH2 4.19Å; L227-W254 HydrophobicContact CD1-CZ2 4.12Å; L250-W254 HydrophobicContact CB-CE3 4.43Å; L250-W254 HydrophobicContact CB-CZ3 4.4Å; L250-W254 HydrophobicContact CD2-CZ3 3.85Å; L250-W254 VanDerWaalsContact O-CE3 3.27Å; L250-W254 PolarHBondContact O-N 2.87Å; W254-T256 PolarHBondContact O-N 3.27Å; W254-L261 HydrophobicContact CD2-CB 3.97Å; W254-L261 HydrophobicContact CE3-CB 4.25Å; W254-L261 HydrophobicContact CE3-CD1 3.95Å; W254-L261 HydrophobicContact CG-CB 4.36Å; W254-L261 HydrophobicContact CH2-CD1 4.15Å; W254-L261 HydrophobicContact CH2-CD2 4.43Å; W254-L261 HydrophobicContact CZ2-CB 4.34Å; W254-L261 HydrophobicContact CZ2-CD2 4.5Å; W254-L261 HydrophobicContact CZ3-CD1 3.76Å; W254-L261 PolarHBondContact NE1-O 2.87Å; W254-Y264 PolarHBondContact NE1-O 3.44Å; W254-L266 HydrophobicContact CD2-CD2 4.36Å; W254-L266 HydrophobicContact CZ2-CB 4.36Å; W254-H307 HydrophobicContact CB-CB 3.91Å; W254-H307 HydrophobicContact CG-CB 4.12Å; W254-V325 HydrophobicContact CH2-CG2 3.89Å; W254-V325 HydrophobicContact CZ2-CG2 4.08Å
255R85.8Confident86.3Confident95 Ų9547 Ų4736%0.35826%0.262SS..THydrogen-bonded Turntrans-62.7-18.4171.4-72.5168.8-163.4-151.53.9113.1D251 I253 K257 Q304D251-R255 WeakPolarHBondContact O-CB 3.48Å; D251-R255 WeakPolarHBondContact O-CD 3.39Å; D251-R255 WeakPolarHBondContact O-CG 3.46Å; D251-R255 PolarHBondContact O-N 3.09Å; D251-R255 IonicContact OD2-CZ 2.81Å; D251-R255 IonicContact OD2-NE 2.67Å; D251-R255 PolarHBondContact OD2-NE 3.38Å; D251-R255 IonicContact OD2-NH2 3.95Å; D251-R255 PolarHBondContact OD2-NH2 3.33Å; I253-R255 VanDerWaalsContact C-N 3.33Å; I253-R255 PolarHBondContact O-N 3.16Å; R255-K257 PolarHBondContact O-N 3.48Å; R255-Q304 PolarHBondContact NH2-O 3.08Å; R255-Q304 VanDerWaalsContact NH2-O 3.15Å
256T83.8Confident86.3Confident77 Ų7747 Ų4747%0.47226%0.262SS..  trans-88.9100.4-174.4-58.70000110.9Q252 I253 W254 D258 A259Q252-T256 PolarHBondContact O-OG1 3.23Å; I253-T256 WeakPolarHBondContact O-CA 3.49Å; I253-T256 VanDerWaalsContact O-CB 3.26Å; I253-T256 WeakPolarHBondContact O-CB 3.47Å; I253-T256 PolarHBondContact O-N 3.22Å; W254-T256 PolarHBondContact O-N 3.27Å; T256-D258 HydrophobicContact CG2-CB 4.33Å; T256-D258 PolarHBondContact O-N 3.24Å; T256-A259 WeakPolarHBondContact O-CB 3.33Å; T256-A259 PolarHBondContact O-N 3.05Å
257K68Low86.3Confident201 Ų20147 Ų4787%0.87426%0.262SS*.G310 helixtrans-52.6-32.1-173.6-67.4-170.1175.8-173.30115R255 A259 G260R255-K257 PolarHBondContact O-N 3.48Å; K257-A259 PolarHBondContact O-N 2.91Å; K257-G260 PolarHBondContact O-N 2.89Å; K257-G260 VanDerWaalsContact O-N 3.13Å
258D72.4Confident86.4Confident164 Ų16447 Ų4788%0.87726%0.262SS*.G310 helixtrans-61.8-26.9-179.5-157.947.3000113T256 G260T256-D258 HydrophobicContact CG2-CB 4.33Å; T256-D258 PolarHBondContact O-N 3.24Å; D258-G260 VanDerWaalsContact C-N 3.32Å; D258-G260 PolarHBondContact O-N 2.89Å
259A71.9Confident86.5Confident18 Ų1846.7 Ų46.715%0.14926%0.261CS..G310 helixtrans-73.3-21.3177.300000113.6M224 T256 K257 L261M224-A259 HydrophobicContact CE-CB 3.63Å; T256-A259 WeakPolarHBondContact O-CB 3.33Å; T256-A259 PolarHBondContact O-N 3.05Å; K257-A259 PolarHBondContact O-N 2.91Å; A259-L261 HydrophobicContact CB-CB 4.36Å; A259-L261 HydrophobicContact CB-CD1 4Å; A259-L261 HydrophobicContact CB-CG 4.05Å; A259-L261 PolarHBondContact O-N 2.93Å; A259-L261 VanDerWaalsContact O-N 3.09Å
260G77.9Confident86.5Confident48 Ų4846.1 Ų46.150%0.49526%0.257SS..  trans66.5-0.4-173.200000115.5K257 D258 G262K257-G260 PolarHBondContact O-N 2.89Å; K257-G260 VanDerWaalsContact O-N 3.13Å; D258-G260 VanDerWaalsContact C-N 3.32Å; D258-G260 PolarHBondContact O-N 2.89Å; G260-G262 VanDerWaalsContact C-N 3.29Å; G260-G262 PolarHBondContact O-N 3.13Å
261L81.7Confident86.4Confident3 Ų347.3 Ų47.32%0.01626%0.264CS..G310 helixtrans-70.1-16.8-168.7-73.9171.3000115.1L220 M224 L227 I253 W254 A259 V263 Y264L220-L261 HydrophobicContact CD1-CD1 3.82Å; M224-L261 HydrophobicContact CE-CD1 3.87Å; M224-L261 HydrophobicContact CE-CG 4.14Å; M224-L261 HydrophobicContact CG-CD1 4.27Å; M224-L261 HydrophobicContact CG-CD2 4.14Å; M224-L261 HydrophobicContact CG-CG 4.5Å; L227-L261 HydrophobicContact CD1-CD2 3.77Å; I253-L261 HydrophobicContact CG2-CD1 3.67Å; W254-L261 HydrophobicContact CD2-CB 3.97Å; W254-L261 HydrophobicContact CE3-CB 4.25Å; W254-L261 HydrophobicContact CE3-CD1 3.95Å; W254-L261 HydrophobicContact CG-CB 4.36Å; W254-L261 HydrophobicContact CH2-CD1 4.15Å; W254-L261 HydrophobicContact CH2-CD2 4.43Å; W254-L261 HydrophobicContact CZ2-CB 4.34Å; W254-L261 HydrophobicContact CZ2-CD2 4.5Å; W254-L261 HydrophobicContact CZ3-CD1 3.76Å; W254-L261 PolarHBondContact NE1-O 2.87Å; A259-L261 HydrophobicContact CB-CB 4.36Å; A259-L261 HydrophobicContact CB-CD1 4Å; A259-L261 HydrophobicContact CB-CG 4.05Å; A259-L261 PolarHBondContact O-N 2.93Å; A259-L261 VanDerWaalsContact O-N 3.09Å; L261-V263 PolarHBondContact O-N 2.82Å; L261-Y264 HydrophobicContact CD2-CD2 3.7Å; L261-Y264 HydrophobicContact CD2-CE2 4.06Å; L261-Y264 PolarHBondContact O-N 2.94Å
262G78.9Confident86.6Confident51 Ų5148.3 Ų48.353%0.52627%0.27SS..G310 helixtrans-65.22.7-179.600000116.3G260G260-G262 VanDerWaalsContact C-N 3.29Å; G260-G262 PolarHBondContact O-N 3.13Å
263V86.1Confident86.7Confident127 Ų12745.1 Ų45.177%0.7726%0.255SS*.G310 helixtrans-87.3-25.3167.8-176.50000111.5L261L261-V263 PolarHBondContact O-N 2.82Å
264Y91.9Very high86.9Confident58 Ų5849.1 Ų49.123%0.22727%0.269CS..SBendtrans-94.8141.2-176.7-55.1-61.7000111.7L227 W254 L261 P323L227-Y264 HydrophobicContact CB-CD1 4.36Å; L227-Y264 HydrophobicContact CB-CD2 4Å; L227-Y264 HydrophobicContact CB-CE1 4.28Å; L227-Y264 HydrophobicContact CB-CE2 3.92Å; L227-Y264 HydrophobicContact CB-CG 4.2Å; L227-Y264 HydrophobicContact CD1-CD2 3.78Å; L227-Y264 HydrophobicContact CD1-CE2 4.44Å; L227-Y264 HydrophobicContact CD1-CG 4Å; L227-Y264 HydrophobicContact CD2-CD1 4.41Å; L227-Y264 HydrophobicContact CD2-CG 4.22Å; L227-Y264 HydrophobicContact CG-CD2 4.39Å; L227-Y264 HydrophobicContact CG-CG 4.38Å; W254-Y264 PolarHBondContact NE1-O 3.44Å; L261-Y264 HydrophobicContact CD2-CD2 3.7Å; L261-Y264 HydrophobicContact CD2-CE2 4.06Å; L261-Y264 PolarHBondContact O-N 2.94Å; Y264-P323 HydrophobicContact CD1-CG 3.64Å; Y264-P323 HydrophobicContact CE1-CG 3.68Å
265S92.6Very high87.1Confident19 Ų1951.5 Ų51.513%0.13328%0.282CS..EExtended strand (participates in β ladder)trans-74136.7-179.5-440000111.6P321 K324 V325S265-P321 WeakPolarHBondContact CB-O 3.32Å; S265-P321 PolarHBondContact OG-O 3.37Å; S265-K324 CarbonylContact O-C 3.6Å; S265-K324 VanDerWaalsContact O-CA 3.28Å; S265-K324 WeakPolarHBondContact O-CA 3.45Å; S265-V325 PolarHBondContact O-N 3.09Å
266L94.3Very high87.5Confident0 Ų047 Ų470%027%0.265CS..EExtended strand (participates in β ladder)trans-116.1130.6170.1179.766.1000107.9L250 W254 H307 L308 S309 V325L250-L266 HydrophobicContact CB-CD1 4.28Å; L250-L266 HydrophobicContact CB-CD2 3.78Å; L250-L266 HydrophobicContact CD1-CD1 4.02Å; W254-L266 HydrophobicContact CD2-CD2 4.36Å; W254-L266 HydrophobicContact CZ2-CB 4.36Å; L266-H307 VanDerWaalsContact O-O 3.12Å; L266-L308 HydrophobicContact CD1-CD1 4.49Å; L266-L308 HydrophobicContact CD2-CD1 4.01Å; L266-L308 HydrophobicContact CG-CD1 3.68Å; L266-S309 PolarHBondContact O-N 3.01Å; L266-V325 HydrophobicContact CD1-CB 3.76Å; L266-V325 HydrophobicContact CD1-CG1 3.76Å
267A95.5Very high88Confident0 Ų043.5 Ų43.50%024%0.244CC..EExtended strand (participates in β ladder)trans-133.5155.9-176.600000112.5S309 L317 V325 V326 L327A267-S309 WeakPolarHBondContact CA-O 3.29Å; A267-L317 HydrophobicContact CB-CD1 3.96Å; A267-V325 PolarHBondContact N-O 3.45Å; A267-V326 HydrophobicContact CB-CG1 4.2Å; A267-V326 HydrophobicContact CB-CG2 4.47Å; A267-V326 WeakPolarHBondContact O-CA 3.23Å; A267-L327 PolarHBondContact O-N 2.91Å
268L96.3Very high89.3Confident3 Ų337.5 Ų37.52%0.01622%0.219CC..EExtended strand (participates in β ladder)trans-127.3123.2169.7-174.6155.3000108.3V243 N270 L308 S309 L310 C311 L327V243-L268 HydrophobicContact CG2-CD1 3.57Å; V243-L268 HydrophobicContact CG2-CG 4.37Å; L268-N270 HydrophobicContact CD2-CB 4.3Å; L268-N270 WeakPolarHBondContact CD2-OD1 3.49Å; L268-L308 HydrophobicContact CB-CD1 3.97Å; L268-L308 HydrophobicContact CB-CD2 4.11Å; L268-L308 HydrophobicContact CB-CG 4.18Å; L268-L308 HydrophobicContact CD1-CD2 4.14Å; L268-S309 PolarHBondContact N-O 2.92Å; L268-L310 HydrophobicContact CB-CD2 4.28Å; L268-C311 PolarHBondContact O-N 2.77Å; L268-L327 WeakPolarHBondContact CA-O 3.41Å; L268-L327 HydrophobicContact CB-CB 4.35Å; L268-L327 HydrophobicContact CD1-CD1 4.29Å; L268-L327 HydrophobicContact CG-CB 4.24Å
269L94.8Very high90.3Very high0 Ų032.2 Ų32.20%019%0.188CC..EExtended strand (participates in β ladder)trans-125.395.8-173.3176.660.4000110.4C311 L314 L317 V326 L327 S329 F337 L341L269-C311 HydrophobicContact CB-CB 4.25Å; L269-C311 HydrophobicContact CD1-CB 3.75Å; L269-L314 HydrophobicContact CD2-CD2 3.99Å; L269-L317 HydrophobicContact CD2-CB 4.33Å; L269-L317 HydrophobicContact CD2-CD2 3.75Å; L269-V326 HydrophobicContact CB-CG1 3.89Å; L269-L327 PolarHBondContact N-O 3.29Å; L269-S329 PolarHBondContact O-N 3.37Å; L269-S329 PolarHBondContact O-OG 3.46Å; L269-F337 HydrophobicContact CD1-CD2 3.8Å; L269-F337 HydrophobicContact CD1-CE2 3.92Å; L269-F337 HydrophobicContact CD1-CG 4.11Å; L269-F337 HydrophobicContact CD1-CZ 4.35Å; L269-F337 HydrophobicContact CD2-CB 3.63Å; L269-F337 HydrophobicContact CD2-CD1 4.18Å; L269-F337 HydrophobicContact CD2-CD2 4.2Å; L269-F337 HydrophobicContact CD2-CG 3.75Å; L269-F337 HydrophobicContact CG-CB 3.82Å; L269-F337 HydrophobicContact CG-CD1 4.42Å; L269-F337 HydrophobicContact CG-CD2 3.6Å; L269-F337 HydrophobicContact CG-CE2 4.25Å; L269-F337 HydrophobicContact CG-CG 3.68Å; L269-L341 HydrophobicContact CD2-CD1 3.89Å
270N92.6Very high91.3Very high0 Ų031.4 Ų31.40%018%0.181CC..  trans-134.9153.2173.8-50.710.3000106T239 L268 V272 S273 S329T239-N270 PolarHBondContact O-ND2 3.13Å; L268-N270 HydrophobicContact CD2-CB 4.3Å; L268-N270 WeakPolarHBondContact CD2-OD1 3.49Å; N270-V272 PolarHBondContact O-N 3.19Å; N270-S273 WeakPolarHBondContact O-CB 3.35Å; N270-S273 PolarHBondContact O-N 3.18Å; N270-S273 PolarHBondContact O-OG 3.05Å; N270-S329 PolarHBondContact OD1-N 2.85Å
271N92.3Very high92Very high27 Ų2730.8 Ų30.814%0.14417%0.165CC..THydrogen-bonded Turntrans-60.9-34.3180-60-88.6000111.3D100 Q103 N107 H312D100-N271 VanDerWaalsContact OD1-CB 3.3Å; D100-N271 WeakPolarHBondContact OD1-CB 3.4Å; D100-N271 PolarHBondContact OD1-N 2.89Å; D100-N271 PolarHBondContact OD1-ND2 2.88Å; Q103-N271 HydrophobicContact CB-CB 4.24Å; Q103-N271 HydrophobicContact CG-CB 4.08Å; Q103-N271 WeakPolarHBondContact CG-OD1 3.5Å; N107-N271 PolarHBondContact ND2-OD1 3.46Å; N271-H312 PolarHBondContact O-ND1 3.24Å
272V93.9Very high92.5Very high20 Ų2034.6 Ų34.612%0.12119%0.192CC..THydrogen-bonded Turntrans-10826-178.4-610000113.5M96 Y99 D100 T239 N270 Y274 N275 V276M96-V272 HydrophobicContact CB-CG2 3.99Å; M96-V272 HydrophobicContact SD-CB 4.07Å; M96-V272 HydrophobicContact SD-CG2 4.18Å; Y99-V272 HydrophobicContact CD2-CG1 4.46Å; D100-V272 HydrophobicContact CB-CG2 3.98Å; T239-V272 HydrophobicContact CG2-CG2 4.04Å; N270-V272 PolarHBondContact O-N 3.19Å; V272-Y274 PolarHBondContact O-N 3.05Å; V272-N275 PolarHBondContact O-N 3.22Å; V272-V276 HydrophobicContact CG2-CG2 4.07Å; V272-V276 PolarHBondContact O-N 3.35Å
273S91.2Very high93Very high0 Ų032.6 Ų32.60%017%0.169CC..Hα-helixtrans-52.5-43.8-171.656.30000114.7N270 V277 C311 H312N270-S273 WeakPolarHBondContact O-CB 3.35Å; N270-S273 PolarHBondContact O-N 3.18Å; N270-S273 PolarHBondContact O-OG 3.05Å; S273-V277 WeakPolarHBondContact O-CG2 3.46Å; S273-V277 PolarHBondContact O-N 2.78Å; S273-C311 WeakPolarHBondContact CB-O 3.36Å; S273-C311 PolarHBondContact OG-O 3.49Å; S273-H312 PolarHBondContact OG-CE1 2.84Å; S273-H312 VanDerWaalsContact OG-CE1 3.28Å; S273-H312 PolarHBondContact OG-NE2 2.66Å
274Y93.7Very high93.3Very high113 Ų11327 Ų2744%0.44314%0.135SC..Hα-helixtrans-56.6-51.1173.8178.2-98.5000113V272 V276 V277 E278 L310 H312 M512V272-Y274 PolarHBondContact O-N 3.05Å; Y274-V276 PolarHBondContact O-N 3.5Å; Y274-V277 PolarHBondContact O-N 2.87Å; Y274-E278 PolarHBondContact O-N 3Å; Y274-L310 HydrophobicContact CD2-CD1 4.5Å; Y274-H312 WeakPolarHBondContact CB-NE2 3.17Å; Y274-H312 PolarHBondContact N-CE1 3.01Å; Y274-M512 HydrophobicContact CD1-CE 4.13Å; Y274-M512 HydrophobicContact CG-CE 4.19Å
275N94.6Very high93.2Very high57 Ų5729.5 Ų29.531%0.30515%0.149SC..Hα-helixtrans-65.2-40.9-174.4-62.655.2000112M96 V272 V277 E278 F279M96-N275 HydrophobicContact SD-CB 3.53Å; M96-N275 VanDerWaalsContact SD-CB 3.53Å; V272-N275 PolarHBondContact O-N 3.22Å; N275-V277 VanDerWaalsContact C-N 3.31Å; N275-V277 PolarHBondContact O-N 2.69Å; N275-E278 PolarHBondContact O-N 2.61Å; N275-F279 HydrophobicContact CB-CD2 4.42Å; N275-F279 HydrophobicContact CB-CE2 4.07Å; N275-F279 WeakPolarHBondContact O-CB 3.27Å; N275-F279 WeakPolarHBondContact O-CD2 3.36Å; N275-F279 VanDerWaalsContact O-CG 3.25Å; N275-F279 WeakPolarHBondContact O-CG 3.32Å; N275-F279 PolarHBondContact O-N 3.2Å
276V94.3Very high93.2Very high0 Ų029.3 Ų29.30%015%0.145CC..Hα-helixtrans-56.8-47.2174.2171.90000110.8M96 T239 A240 L244 V272 Y274 S280M96-V276 HydrophobicContact CB-CG2 3.89Å; M96-V276 HydrophobicContact CG-CG2 4.04Å; T239-V276 HydrophobicContact CG2-CG2 4.37Å; A240-V276 HydrophobicContact CB-CG1 3.95Å; A240-V276 HydrophobicContact CB-CG2 3.92Å; L244-V276 HydrophobicContact CD2-CG1 4.17Å; V272-V276 HydrophobicContact CG2-CG2 4.07Å; V272-V276 PolarHBondContact O-N 3.35Å; Y274-V276 PolarHBondContact O-N 3.5Å; V276-S280 WeakPolarHBondContact O-CB 3.42Å; V276-S280 PolarHBondContact O-N 3.44Å; V276-S280 PolarHBondContact O-OG 3.3Å
277V94.2Very high93.1Very high5 Ų529.6 Ų29.63%0.0315%0.147CC..Hα-helixtrans-68.2-43.5-179.7172.80000111.1S273 Y274 N275 S280 K281 F305 L310S273-V277 WeakPolarHBondContact O-CG2 3.46Å; S273-V277 PolarHBondContact O-N 2.78Å; Y274-V277 PolarHBondContact O-N 2.87Å; N275-V277 VanDerWaalsContact C-N 3.31Å; N275-V277 PolarHBondContact O-N 2.69Å; V277-S280 PolarHBondContact O-N 3.08Å; V277-S280 PolarHBondContact O-OG 2.96Å; V277-K281 WeakPolarHBondContact O-CG 3.41Å; V277-K281 PolarHBondContact O-N 2.88Å; V277-K281 VanDerWaalsContact O-N 3.09Å; V277-F305 HydrophobicContact CG1-CD2 4.05Å; V277-F305 HydrophobicContact CG1-CE2 4.09Å; V277-F305 HydrophobicContact CG2-CE2 4.16Å; V277-L310 HydrophobicContact CB-CD1 4.19Å; V277-L310 HydrophobicContact CG1-CD1 4.3Å; V277-L310 HydrophobicContact CG2-CD1 4.28Å; V277-L310 HydrophobicContact CG2-CD2 3.93Å
278E94.1Very high92.9Very high74 Ų7429.6 Ų29.635%0.34615%0.147SC..Hα-helixtrans-67.6-41179-158.658.4-137.500112.8Y274 N275 S280 K281 S282Y274-E278 PolarHBondContact O-N 3Å; N275-E278 PolarHBondContact O-N 2.61Å; E278-S280 VanDerWaalsContact C-N 3.35Å; E278-S280 PolarHBondContact O-N 3.33Å; E278-K281 WeakPolarHBondContact O-CB 3.03Å; E278-K281 PolarHBondContact O-N 3.24Å; E278-K281 IonicContact OE1-NZ 4Å; E278-K281 WeakPolarHBondContact OE2-CE 3.36Å; E278-K281 IonicContact OE2-NZ 3.34Å; E278-K281 PolarHBondContact OE2-NZ 3.04Å; E278-S282 PolarHBondContact O-N 3.44Å
279F94Very high92.6Very high54 Ų5432.7 Ų32.724%0.23716%0.163CC..Hα-helixtrans-64-39.2173.4-64.5-33.1000111.8M93 M96 N275 K281 S282 Q283M93-F279 HydrophobicContact CE-CB 3.97Å; M93-F279 HydrophobicContact SD-CB 4.32Å; M96-F279 HydrophobicContact CE-CE2 3.92Å; M96-F279 HydrophobicContact CG-CD2 4.03Å; M96-F279 HydrophobicContact CG-CE2 4.1Å; M96-F279 HydrophobicContact SD-CD2 4.21Å; M96-F279 HydrophobicContact SD-CE2 3.74Å; N275-F279 HydrophobicContact CB-CD2 4.42Å; N275-F279 HydrophobicContact CB-CE2 4.07Å; N275-F279 WeakPolarHBondContact O-CB 3.27Å; N275-F279 WeakPolarHBondContact O-CD2 3.36Å; N275-F279 VanDerWaalsContact O-CG 3.25Å; N275-F279 WeakPolarHBondContact O-CG 3.32Å; N275-F279 PolarHBondContact O-N 3.2Å; F279-K281 VanDerWaalsContact C-N 3.31Å; F279-K281 PolarHBondContact O-N 2.88Å; F279-S282 PolarHBondContact O-N 3.4Å; F279-S282 PolarHBondContact O-OG 3.01Å; F279-Q283 WeakPolarHBondContact O-CG 3.27Å; F279-Q283 PolarHBondContact O-N 3.47Å; F279-Q283 VanDerWaalsContact O-N 3.11Å
280S92.8Very high92.3Very high0 Ų037.8 Ų37.80%019%0.185CC..Hα-helixtrans-61.7-36.5174.676.90000112.6V276 V277 E278 S282 Q283 M287 F303V276-S280 WeakPolarHBondContact O-CB 3.42Å; V276-S280 PolarHBondContact O-N 3.44Å; V276-S280 PolarHBondContact O-OG 3.3Å; V277-S280 PolarHBondContact O-N 3.08Å; V277-S280 PolarHBondContact O-OG 2.96Å; E278-S280 VanDerWaalsContact C-N 3.35Å; E278-S280 PolarHBondContact O-N 3.33Å; S280-S282 VanDerWaalsContact C-N 3.3Å; S280-S282 PolarHBondContact O-N 3.03Å; S280-Q283 PolarHBondContact O-N 2.86Å; S280-M287 WeakPolarHBondContact O-CE 3.49Å; S280-F303 WeakPolarHBondContact OG-CB 3.48Å; S280-F303 VanDerWaalsContact OG-CD1 3.27Å; S280-F303 WeakPolarHBondContact OG-CD1 3.41Å; S280-F303 WeakPolarHBondContact OG-CG 3.26Å
281K91.9Very high92Very high35 Ų3538.2 Ų38.215%0.15219%0.187CC..Hα-helixtrans-62.9-34.9172.4-67.7176.9-147.7170.90112.5V277 E278 F279 V284 N301 F303V277-K281 WeakPolarHBondContact O-CG 3.41Å; V277-K281 PolarHBondContact O-N 2.88Å; V277-K281 VanDerWaalsContact O-N 3.09Å; E278-K281 WeakPolarHBondContact O-CB 3.03Å; E278-K281 PolarHBondContact O-N 3.24Å; E278-K281 IonicContact OE1-NZ 4Å; E278-K281 WeakPolarHBondContact OE2-CE 3.36Å; E278-K281 IonicContact OE2-NZ 3.34Å; E278-K281 PolarHBondContact OE2-NZ 3.04Å; F279-K281 VanDerWaalsContact C-N 3.31Å; F279-K281 PolarHBondContact O-N 2.88Å; K281-V284 WeakPolarHBondContact O-CG2 3.38Å; K281-N301 WeakPolarHBondContact CA-ND2 3.34Å; K281-N301 WeakPolarHBondContact CB-ND2 3.17Å; K281-N301 PolarHBondContact O-ND2 3.04Å; K281-F303 WeakPolarHBondContact CE-O 3.05Å; K281-F303 HydrophobicContact CG-CB 3.83Å
282S92.1Very high91.7Very high83 Ų8339.7 Ų39.758%0.5819%0.194SC*.Hα-helixtrans-75.2-27.4179.275.70000113.5E278 F279 S280 V284E278-S282 PolarHBondContact O-N 3.44Å; F279-S282 PolarHBondContact O-N 3.4Å; F279-S282 PolarHBondContact O-OG 3.01Å; S280-S282 VanDerWaalsContact C-N 3.3Å; S280-S282 PolarHBondContact O-N 3.03Å; S282-V284 PolarHBondContact O-N 2.89Å
283Q90.9Very high91.4Very high9 Ų945.6 Ų45.64%0.04221%0.214CC..THydrogen-bonded Turntrans-98.527.8-170.2-68.8174.9-5.400114.2I155 F279 S280 E285 W286I155-Q283 HydrophobicContact CD1-CB 4.24Å; F279-Q283 WeakPolarHBondContact O-CG 3.27Å; F279-Q283 PolarHBondContact O-N 3.47Å; F279-Q283 VanDerWaalsContact O-N 3.11Å; S280-Q283 PolarHBondContact O-N 2.86Å; Q283-E285 PolarHBondContact O-N 2.76Å; Q283-E285 VanDerWaalsContact O-N 3.11Å; Q283-W286 WeakPolarHBondContact O-CB 3.49Å; Q283-W286 PolarHBondContact O-N 3.38Å
284V90.5Very high91Very high10 Ų1047.6 Ų47.66%0.06123%0.228CC..G310 helixtrans-60.2-24.1-178.9177.10000113.2K281 S282 W286 M287 F295K281-V284 WeakPolarHBondContact O-CG2 3.38Å; S282-V284 PolarHBondContact O-N 2.89Å; V284-W286 PolarHBondContact O-N 2.86Å; V284-M287 HydrophobicContact CB-SD 4.43Å; V284-M287 HydrophobicContact CG2-SD 4.17Å; V284-M287 PolarHBondContact O-N 3.17Å; V284-F295 HydrophobicContact CG1-CB 4.19Å; V284-F295 HydrophobicContact CG1-CD1 4.17Å; V284-F295 HydrophobicContact CG1-CG 4.23Å
285E90.7Very high90.6Very high110 Ų11046.1 Ų46.151%0.51422%0.224SC..G310 helixtrans-63.8-17.1172.567.4175.7-133.600114.1K130 Q283K130-E285 IonicContact NZ-OE1 2.93Å; K130-E285 PolarHBondContact NZ-OE1 3Å; K130-E285 IonicContact NZ-OE2 2.78Å; Q283-E285 PolarHBondContact O-N 2.76Å; Q283-E285 VanDerWaalsContact O-N 3.11Å
286W93.3Very high90.2Very high16 Ų1649.3 Ų49.36%0.06124%0.237CC..G310 helixtrans-95.80.9179.8-67.684.1000113.9T87 I88 P89 L129 K130 Y131 I155 Q283 V284T87-W286 HydrophobicContact CG2-CH2 3.63Å; T87-W286 HydrophobicContact CG2-CZ3 3.62Å; I88-W286 HydrophobicContact CB-CZ2 3.84Å; I88-W286 HydrophobicContact CD1-CZ2 3.99Å; I88-W286 HydrophobicContact CG1-CZ2 3.97Å; P89-W286 HydrophobicContact CG-CB 4.03Å; P89-W286 HydrophobicContact CG-CD2 3.37Å; P89-W286 HydrophobicContact CG-CE3 3.64Å; P89-W286 HydrophobicContact CG-CG 3.51Å; P89-W286 HydrophobicContact CG-CZ2 4.47Å; P89-W286 HydrophobicContact CG-CZ3 4.27Å; L129-W286 WeakPolarHBondContact O-CH2 3.5Å; K130-W286 HydrophobicContact CB-CZ2 4.45Å; K130-W286 HydrophobicContact CG-CZ2 4.23Å; Y131-W286 AromaticContact CD1-CZ3 3.84Å; Y131-W286 HydrophobicContact CD1-CZ3 3.84Å; Y131-W286 AromaticContact CD2-CE3 3.69Å; Y131-W286 HydrophobicContact CD2-CE3 3.69Å; Y131-W286 AromaticContact CD2-CZ3 3.6Å; Y131-W286 HydrophobicContact CD2-CZ3 3.6Å; Y131-W286 HydrophobicContact CE1-CE3 4.26Å; Y131-W286 AromaticContact CE1-CZ3 3.77Å; Y131-W286 HydrophobicContact CE1-CZ3 3.77Å; Y131-W286 HydrophobicContact CE2-CD2 4.44Å; Y131-W286 AromaticContact CE2-CE3 3.31Å; Y131-W286 HydrophobicContact CE2-CE3 3.31Å; Y131-W286 AromaticContact CE2-CZ3 3.56Å; Y131-W286 HydrophobicContact CE2-CZ3 3.56Å; Y131-W286 HydrophobicContact CG-CE3 4.31Å; Y131-W286 AromaticContact CG-CZ3 3.75Å; Y131-W286 HydrophobicContact CG-CZ3 3.75Å; Y131-W286 AromaticContact CZ-CE3 3.64Å; Y131-W286 AromaticContact CZ-CZ3 3.64Å; I155-W286 HydrophobicContact CG1-CB 4.39Å; Q283-W286 WeakPolarHBondContact O-CB 3.49Å; Q283-W286 PolarHBondContact O-N 3.38Å; V284-W286 PolarHBondContact O-N 2.86Å
287M91.9Very high89.9Confident6 Ų655.6 Ų55.63%0.0327%0.27CS..SBendtrans-104175.1-169.9-62.9178.9175.800112.6I155 H183 S280 V284 L291 F303I155-M287 HydrophobicContact CD1-CE 3.69Å; I155-M287 HydrophobicContact CD1-CG 4.48Å; H183-M287 CarbonylContact O-C 3.59Å; H183-M287 WeakPolarHBondContact O-CA 3.42Å; H183-M287 WeakPolarHBondContact O-CB 3.46Å; S280-M287 WeakPolarHBondContact O-CE 3.49Å; V284-M287 HydrophobicContact CB-SD 4.43Å; V284-M287 HydrophobicContact CG2-SD 4.17Å; V284-M287 PolarHBondContact O-N 3.17Å; M287-L291 HydrophobicContact SD-CD1 4.29Å; M287-F303 HydrophobicContact CE-CD2 3.68Å; M287-F303 HydrophobicContact CE-CE2 3.41Å; M287-F303 VanDerWaalsContact CE-CE2 3.41Å; M287-F303 HydrophobicContact CE-CZ 4.03Å; M287-F303 HydrophobicContact SD-CD2 3.83Å; M287-F303 HydrophobicContact SD-CE2 3.36Å; M287-F303 WeakPolarHBondContact SD-CE2 3.4Å; M287-F303 HydrophobicContact SD-CZ 4.32Å
288S91.4Very high89.4Confident0 Ų061.6 Ų61.60%030%0.296CS..  trans-60145.4-178.281.30000112.9I182 H183 N185 K290 L291 M292I182-S288 PolarHBondContact O-OG 3.14Å; H183-S288 PolarHBondContact O-N 3.46Å; N185-S288 WeakPolarHBondContact OD1-CA 3.31Å; N185-S288 WeakPolarHBondContact OD1-CB 3.39Å; S288-K290 PolarHBondContact O-N 2.79Å; S288-L291 PolarHBondContact O-N 3.28Å; S288-L291 PolarHBondContact OG-N 3Å; S288-M292 PolarHBondContact O-N 3.33Å
289D89.7Confident88.8Confident67 Ų6768.9 Ų68.936%0.35832%0.321SS..Hα-helixtrans-49.3-32.4174.8-67.127.2000112.5N185 R293N185-D289 PolarHBondContact ND2-OD1 2.79Å; N185-D289 PolarHBondContact OD1-N 2.82Å; D289-R293 WeakPolarHBondContact O-CB 3.46Å; D289-R293 VanDerWaalsContact O-CG 3.25Å; D289-R293 WeakPolarHBondContact O-CG 3.24Å; D289-R293 PolarHBondContact O-N 3.04Å; D289-R293 IonicContact OD2-NH2 2.86Å
290K87.6Confident88.4Confident108 Ų10870.3 Ų70.347%0.4733%0.331SS..Hα-helixtrans-69.9-39.5-178.9-175-171.9171.9-163.90111.3S288 C294S288-K290 PolarHBondContact O-N 2.79Å; K290-C294 WeakPolarHBondContact O-CB 3.33Å; K290-C294 PolarHBondContact O-N 3.02Å; K290-C294 PolarHBondContact O-SG 3.1Å
291L86.1Confident88Confident8 Ų871.9 Ų71.94%0.04234%0.339CS..Hα-helixtrans-73.7-42.2173.1-70.1-162.9000111.4I182 H183 M287 S288 R293 C294 F295 P302 F303I182-L291 HydrophobicContact CG2-CD2 4.33Å; H183-L291 HydrophobicContact CB-CD1 3.81Å; M287-L291 HydrophobicContact SD-CD1 4.29Å; S288-L291 PolarHBondContact O-N 3.28Å; S288-L291 PolarHBondContact OG-N 3Å; L291-R293 PolarHBondContact O-N 2.65Å; L291-C294 WeakPolarHBondContact O-CB 3.43Å; L291-C294 PolarHBondContact O-N 2.86Å; L291-C294 VanDerWaalsContact O-N 3.14Å; L291-F295 PolarHBondContact O-N 3.08Å; L291-P302 HydrophobicContact CB-CG 4.05Å; L291-P302 HydrophobicContact CD1-CB 4.02Å; L291-P302 HydrophobicContact CD1-CG 4.34Å; L291-P302 HydrophobicContact CD2-CB 4.12Å; L291-P302 HydrophobicContact CD2-CG 4.31Å; L291-P302 HydrophobicContact CG-CB 4.48Å; L291-P302 HydrophobicContact CG-CG 4.46Å; L291-F303 HydrophobicContact CD1-CE2 3.87Å; L291-F303 HydrophobicContact CD1-CZ 4.45Å
292M86.8Confident87.7Confident59 Ų5970.7 Ų70.729%0.29134%0.335SS..Hα-helixtrans-56.9-52.2178.6-165.5176.3-60.700111.5S288 C294 F295 E296S288-M292 PolarHBondContact O-N 3.33Å; M292-C294 VanDerWaalsContact C-N 3.32Å; M292-C294 PolarHBondContact O-N 2.68Å; M292-F295 WeakPolarHBondContact O-CB 3.26Å; M292-F295 PolarHBondContact O-N 3.3Å; M292-E296 WeakPolarHBondContact O-CG 3.37Å; M292-E296 PolarHBondContact O-N 2.79Å
293R86.6Confident87.5Confident144 Ų14466.8 Ų66.854%0.54331%0.308SS..Hα-helixtrans-62.3-36.3175.4-66.6174.3-155.9-163.17.1113D289 L291 F295 E296 D297D289-R293 WeakPolarHBondContact O-CB 3.46Å; D289-R293 VanDerWaalsContact O-CG 3.25Å; D289-R293 WeakPolarHBondContact O-CG 3.24Å; D289-R293 PolarHBondContact O-N 3.04Å; D289-R293 IonicContact OD2-NH2 2.86Å; L291-R293 PolarHBondContact O-N 2.65Å; R293-F295 VanDerWaalsContact C-N 3.28Å; R293-F295 PolarHBondContact O-N 3.33Å; R293-E296 PolarHBondContact O-N 3.3Å; R293-D297 VanDerWaalsContact O-CB 3.29Å; R293-D297 WeakPolarHBondContact O-CB 3.16Å; R293-D297 PolarHBondContact O-N 3.39Å
294C83.1Confident87.4Confident41 Ų4171.4 Ų71.428%0.27733%0.329SS..Hα-helixtrans-65.1-32174.8-760000112.8K290 L291 M292 K298K290-C294 WeakPolarHBondContact O-CB 3.33Å; K290-C294 PolarHBondContact O-N 3.02Å; K290-C294 PolarHBondContact O-SG 3.1Å; L291-C294 WeakPolarHBondContact O-CB 3.43Å; L291-C294 PolarHBondContact O-N 2.86Å; L291-C294 VanDerWaalsContact O-N 3.14Å; M292-C294 VanDerWaalsContact C-N 3.32Å; M292-C294 PolarHBondContact O-N 2.68Å; C294-K298 VanDerWaalsContact O-CB 3.31Å; C294-K298 WeakPolarHBondContact O-CB 3.4Å; C294-K298 PolarHBondContact O-N 3.01Å
295F85Confident87.3Confident83 Ų8371.9 Ų71.936%0.36433%0.33SS..Hα-helixtrans-71.4-46.8173.6176.8-113.9000111.3V284 L291 M292 R293 R299 N301V284-F295 HydrophobicContact CG1-CB 4.19Å; V284-F295 HydrophobicContact CG1-CD1 4.17Å; V284-F295 HydrophobicContact CG1-CG 4.23Å; L291-F295 PolarHBondContact O-N 3.08Å; M292-F295 WeakPolarHBondContact O-CB 3.26Å; M292-F295 PolarHBondContact O-N 3.3Å; R293-F295 VanDerWaalsContact C-N 3.28Å; R293-F295 PolarHBondContact O-N 3.33Å; F295-R299 WeakPolarHBondContact O-CA 3.4Å; F295-R299 PolarHBondContact O-N 2.7Å; F295-N301 HydrophobicContact CD2-CB 4.44Å; F295-N301 HydrophobicContact CE2-CB 4.33Å
296E86.8Confident87.1Confident123 Ų12374.7 Ų74.758%0.57534%0.336SS*.Hα-helixtrans-58.9-55.2176.4-67170.8152.700112.3M292 R293 K298M292-E296 WeakPolarHBondContact O-CG 3.37Å; M292-E296 PolarHBondContact O-N 2.79Å; R293-E296 PolarHBondContact O-N 3.3Å; E296-K298 PolarHBondContact O-N 3.02Å
297D88Confident86.9Confident132 Ų13277 Ų7771%0.70635%0.348SS*.Hα-helixtrans-62.8-44.4-176.6-76.7-27000112.5R293R293-D297 VanDerWaalsContact O-CB 3.29Å; R293-D297 WeakPolarHBondContact O-CB 3.16Å; R293-D297 PolarHBondContact O-N 3.39Å
298K83.1Confident86.9Confident132 Ų13277.5 Ų77.557%0.57435%0.35SS*.Hα-helixtrans-108.2-7.5-165.3-56.3172-175.3163.90113.5C294 E296 N300C294-K298 VanDerWaalsContact O-CB 3.31Å; C294-K298 WeakPolarHBondContact O-CB 3.4Å; C294-K298 PolarHBondContact O-N 3.01Å; E296-K298 PolarHBondContact O-N 3.02Å; K298-N300 PolarHBondContact O-N 3.45Å; K298-N300 PolarHBondContact O-ND2 3.34Å
299R83.5Confident87Confident227 Ų22780 Ų8086%0.85737%0.368SS*.  trans50.228.9-175.8-56.4-176.9179.4-171-1.9114F295F295-R299 WeakPolarHBondContact O-CA 3.4Å; F295-R299 PolarHBondContact O-N 2.7Å
300N84Confident87.2Confident84 Ų8479.8 Ų79.845%0.44937%0.366SS..  trans-114120.4177.3-84.2-102.6000107.5K298 R306K298-N300 PolarHBondContact O-N 3.45Å; K298-N300 PolarHBondContact O-ND2 3.34Å; N300-R306 PolarHBondContact OD1-NH2 3.11Å
301N85.7Confident87.5Confident32 Ų3274.9 Ų74.917%0.17135%0.345CS..  trans-63.7128.7175.7-165.6-58.2000109.7K281 F295 F303 Q304K281-N301 WeakPolarHBondContact CA-ND2 3.34Å; K281-N301 WeakPolarHBondContact CB-ND2 3.17Å; K281-N301 PolarHBondContact O-ND2 3.04Å; F295-N301 HydrophobicContact CD2-CB 4.44Å; F295-N301 HydrophobicContact CE2-CB 4.33Å; N301-F303 PolarHBondContact O-N 3.09Å; N301-F303 PolarHBondContact OD1-N 3.19Å; N301-Q304 HydrophobicContact CB-CB 4.17Å; N301-Q304 PolarHBondContact O-N 2.69Å; N301-Q304 VanDerWaalsContact O-N 3.09Å
302P84.4Confident87.8Confident11 Ų1177 Ų777%0.07136%0.355CS..THydrogen-bonded Turntrans-55.3-35.9178.5-25.133.5000113.4Q248 L291Q248-P302 PolarHBondContact NE2-O 3.37Å; Q248-P302 PolarHBondContact OE1-O 3.21Å; L291-P302 HydrophobicContact CB-CG 4.05Å; L291-P302 HydrophobicContact CD1-CB 4.02Å; L291-P302 HydrophobicContact CD1-CG 4.34Å; L291-P302 HydrophobicContact CD2-CB 4.12Å; L291-P302 HydrophobicContact CD2-CG 4.31Å; L291-P302 HydrophobicContact CG-CB 4.48Å; L291-P302 HydrophobicContact CG-CG 4.46Å
303F87.4Confident88Confident1 Ų176 Ų760%0.00435%0.354CS..THydrogen-bonded Turntrans-91.87.7-178-69.7-91000113.4H183 L244 Q248 S280 K281 M287 L291 N301 F305H183-F303 HydrophobicContact CB-CZ 4.04Å; L244-F303 HydrophobicContact CB-CE1 3.8Å; L244-F303 HydrophobicContact CB-CZ 4.2Å; L244-F303 HydrophobicContact CD2-CD1 4.18Å; L244-F303 HydrophobicContact CD2-CE1 3.87Å; L244-F303 HydrophobicContact CG-CE1 4.32Å; Q248-F303 HydrophobicContact CB-CE1 4.41Å; Q248-F303 HydrophobicContact CB-CZ 4.4Å; S280-F303 WeakPolarHBondContact OG-CB 3.48Å; S280-F303 VanDerWaalsContact OG-CD1 3.27Å; S280-F303 WeakPolarHBondContact OG-CD1 3.41Å; S280-F303 WeakPolarHBondContact OG-CG 3.26Å; K281-F303 WeakPolarHBondContact CE-O 3.05Å; K281-F303 HydrophobicContact CG-CB 3.83Å; M287-F303 HydrophobicContact CE-CD2 3.68Å; M287-F303 HydrophobicContact CE-CE2 3.41Å; M287-F303 VanDerWaalsContact CE-CE2 3.41Å; M287-F303 HydrophobicContact CE-CZ 4.03Å; M287-F303 HydrophobicContact SD-CD2 3.83Å; M287-F303 HydrophobicContact SD-CE2 3.36Å; M287-F303 WeakPolarHBondContact SD-CE2 3.4Å; M287-F303 HydrophobicContact SD-CZ 4.32Å; L291-F303 HydrophobicContact CD1-CE2 3.87Å; L291-F303 HydrophobicContact CD1-CZ 4.45Å; N301-F303 PolarHBondContact O-N 3.09Å; N301-F303 PolarHBondContact OD1-N 3.19Å; F303-F305 HydrophobicContact CB-CE2 4.46Å; F303-F305 HydrophobicContact CB-CZ 4.45Å; F303-F305 HydrophobicContact CD1-CE1 4.31Å; F303-F305 AromaticContact CD1-CE2 3.95Å; F303-F305 HydrophobicContact CD1-CE2 3.95Å; F303-F305 AromaticContact CD1-CZ 3.45Å; F303-F305 HydrophobicContact CD1-CZ 3.45Å; F303-F305 VanDerWaalsContact CD1-CZ 3.45Å; F303-F305 AromaticContact CE1-CZ 3.97Å; F303-F305 HydrophobicContact CE1-CZ 3.97Å; F303-F305 HydrophobicContact CG-CZ 4.3Å; F303-F305 WeakPolarHBondContact O-CD2 3.27Å; F303-F305 PolarHBondContact O-N 3.09Å; F303-F305 VanDerWaalsContact O-N 3.08Å
304Q89.1Confident88.1Confident105 Ų10571.5 Ų71.549%0.49134%0.34SS..  trans-80.780.7159.3-168.160.942.400108.8R255 N301R255-Q304 PolarHBondContact NH2-O 3.08Å; R255-Q304 VanDerWaalsContact NH2-O 3.15Å; N301-Q304 HydrophobicContact CB-CB 4.17Å; N301-Q304 PolarHBondContact O-N 2.69Å; N301-Q304 VanDerWaalsContact O-N 3.09Å
305F89.9Confident88.4Confident21 Ų2172.5 Ų72.59%0.09235%0.351CS..  trans-61.8158.2175.1-57.3-60.4000111.8A247 Q248 D251 V277 F303 L308A247-F305 HydrophobicContact CB-CE1 4.19Å; A247-F305 HydrophobicContact CB-CE2 4.32Å; A247-F305 HydrophobicContact CB-CZ 3.75Å; Q248-F305 HydrophobicContact CB-CE1 4.4Å; D251-F305 HydrophobicContact CB-CD1 3.69Å; D251-F305 HydrophobicContact CB-CE1 4.32Å; V277-F305 HydrophobicContact CG1-CD2 4.05Å; V277-F305 HydrophobicContact CG1-CE2 4.09Å; V277-F305 HydrophobicContact CG2-CE2 4.16Å; F303-F305 HydrophobicContact CB-CE2 4.46Å; F303-F305 HydrophobicContact CB-CZ 4.45Å; F303-F305 HydrophobicContact CD1-CE1 4.31Å; F303-F305 AromaticContact CD1-CE2 3.95Å; F303-F305 HydrophobicContact CD1-CE2 3.95Å; F303-F305 AromaticContact CD1-CZ 3.45Å; F303-F305 HydrophobicContact CD1-CZ 3.45Å; F303-F305 VanDerWaalsContact CD1-CZ 3.45Å; F303-F305 AromaticContact CE1-CZ 3.97Å; F303-F305 HydrophobicContact CE1-CZ 3.97Å; F303-F305 HydrophobicContact CG-CZ 4.3Å; F303-F305 WeakPolarHBondContact O-CD2 3.27Å; F303-F305 PolarHBondContact O-N 3.09Å; F303-F305 VanDerWaalsContact O-N 3.08Å; F305-L308 HydrophobicContact CB-CB 3.67Å; F305-L308 HydrophobicContact CB-CD2 4.45Å; F305-L308 HydrophobicContact CD2-CB 4.3Å; F305-L308 HydrophobicContact CD2-CD2 3.49Å; F305-L308 VanDerWaalsContact CD2-CD2 3.49Å; F305-L308 HydrophobicContact CE2-CD2 3.76Å; F305-L308 HydrophobicContact CG-CB 4.01Å; F305-L308 HydrophobicContact CG-CD2 3.94Å; F305-L308 HydrophobicContact CZ-CD2 4.42Å
306R85.9Confident88.7Confident169 Ų16970 Ų7064%0.63834%0.342SS*.SBendtrans-126.9-21.4-178.6-66-172.6-178.6-166.50.8113.7D251 N300D251-R306 PolarHBondContact OD1-N 3.15Å; N300-R306 PolarHBondContact OD1-NH2 3.11Å
307H88.5Confident89Confident64 Ų6464.6 Ų64.630%0.29632%0.317SS..SBendtrans-116-17-180-56.5-77.3000112.3D251 W254 L266 S309D251-H307 IonicContact OD1-CD2 3.6Å; D251-H307 PolarHBondContact OD1-N 3.46Å; W254-H307 HydrophobicContact CB-CB 3.91Å; W254-H307 HydrophobicContact CG-CB 4.12Å; L266-H307 VanDerWaalsContact O-O 3.12Å; H307-S309 PolarHBondContact O-N 2.93Å
308L92.2Very high89.2Confident17 Ų1762.4 Ų62.49%0.08932%0.317CS..EExtended strand (participates in β ladder)trans-75.2117.5174.9-166.266.9000111.6A247 L266 L268 F305 L310 L327A247-L308 HydrophobicContact CB-CD2 4.1Å; L266-L308 HydrophobicContact CD1-CD1 4.49Å; L266-L308 HydrophobicContact CD2-CD1 4.01Å; L266-L308 HydrophobicContact CG-CD1 3.68Å; L268-L308 HydrophobicContact CB-CD1 3.97Å; L268-L308 HydrophobicContact CB-CD2 4.11Å; L268-L308 HydrophobicContact CB-CG 4.18Å; L268-L308 HydrophobicContact CD1-CD2 4.14Å; F305-L308 HydrophobicContact CB-CB 3.67Å; F305-L308 HydrophobicContact CB-CD2 4.45Å; F305-L308 HydrophobicContact CD2-CB 4.3Å; F305-L308 HydrophobicContact CD2-CD2 3.49Å; F305-L308 VanDerWaalsContact CD2-CD2 3.49Å; F305-L308 HydrophobicContact CE2-CD2 3.76Å; F305-L308 HydrophobicContact CG-CB 4.01Å; F305-L308 HydrophobicContact CG-CD2 3.94Å; F305-L308 HydrophobicContact CZ-CD2 4.42Å; L308-L310 HydrophobicContact CD2-CD2 3.96Å; L308-L310 HydrophobicContact CG-CD2 4.13Å; L308-L327 HydrophobicContact CD1-CD1 4.31Å
309S93Very high89.6Confident53 Ų5365.1 Ų65.137%0.37132%0.324SS..EExtended strand (participates in β ladder)trans-93.8116.9173.2-54.70000109.9L266 A267 L268 H307L266-S309 PolarHBondContact O-N 3.01Å; A267-S309 WeakPolarHBondContact CA-O 3.29Å; L268-S309 PolarHBondContact N-O 2.92Å; H307-S309 PolarHBondContact O-N 2.93Å
310L94.5Very high90Very high62 Ų6255.1 Ų55.133%0.32529%0.288SS..EExtended strand (participates in β ladder)trans-79.6130.2178.8-52.1-176.8000109.6L268 Y274 V277 L308L268-L310 HydrophobicContact CB-CD2 4.28Å; Y274-L310 HydrophobicContact CD2-CD1 4.5Å; V277-L310 HydrophobicContact CB-CD1 4.19Å; V277-L310 HydrophobicContact CG1-CD1 4.3Å; V277-L310 HydrophobicContact CG2-CD1 4.28Å; V277-L310 HydrophobicContact CG2-CD2 3.93Å; L308-L310 HydrophobicContact CD2-CD2 3.96Å; L308-L310 HydrophobicContact CG-CD2 4.13Å
311C93.4Very high90.3Very high4 Ų455.4 Ų55.43%0.02729%0.294CS..EExtended strand (participates in β ladder)trans-125.7143.5179.9-590000109.4L268 L269 S273 D316L268-C311 PolarHBondContact O-N 2.77Å; L269-C311 HydrophobicContact CB-CB 4.25Å; L269-C311 HydrophobicContact CD1-CB 3.75Å; S273-C311 WeakPolarHBondContact CB-O 3.36Å; S273-C311 PolarHBondContact OG-O 3.49Å; C311-D316 HydrophobicContact CB-CB 4.16Å
312H92.6Very high90.4Very high54 Ų5457.8 Ų57.825%0.2531%0.314CS..SBendtrans-112.7-19.9176.1-68.8-89.8000112.4N271 S273 Y274 F337N271-H312 PolarHBondContact O-ND1 3.24Å; S273-H312 PolarHBondContact OG-CE1 2.84Å; S273-H312 VanDerWaalsContact OG-CE1 3.28Å; S273-H312 PolarHBondContact OG-NE2 2.66Å; Y274-H312 WeakPolarHBondContact CB-NE2 3.17Å; Y274-H312 PolarHBondContact N-CE1 3.01Å; H312-F337 VanDerWaalsContact O-CZ 3.31Å; H312-F337 WeakPolarHBondContact O-CZ 3.3Å
313S91.1Very high90.9Very high38 Ų3858 Ų5827%0.26632%0.315SS..SBendtrans-137161.9179.374.30000112.5A315 D316 L317S313-A315 PolarHBondContact O-N 3Å; S313-A315 PolarHBondContact OG-N 3.33Å; S313-D316 WeakPolarHBondContact CB-OD2 3.48Å; S313-D316 PolarHBondContact N-OD2 2.7Å; S313-D316 PolarHBondContact O-N 2.73Å; S313-D316 VanDerWaalsContact O-N 3.17Å; S313-D316 PolarHBondContact OG-N 3.17Å; S313-D316 VanDerWaalsContact OG-N 3.11Å; S313-D316 PolarHBondContact OG-OD2 2.8Å; S313-L317 PolarHBondContact O-N 2.81Å; S313-L317 VanDerWaalsContact O-N 3.15Å
314L88.9Confident91.2Very high49 Ų4958.6 Ų58.626%0.25732%0.318SS..Hα-helixtrans-58.7-27.7166.7-69.3-177.4000112.5L269 D316 L317 A318 F337 E340 L341L269-L314 HydrophobicContact CD2-CD2 3.99Å; L314-D316 VanDerWaalsContact C-N 3.34Å; L314-L317 PolarHBondContact O-N 3.46Å; L314-A318 WeakPolarHBondContact O-CB 3.39Å; L314-A318 PolarHBondContact O-N 3.32Å; L314-F337 HydrophobicContact CD2-CD1 4.21Å; L314-F337 HydrophobicContact CG-CD1 4.07Å; L314-F337 HydrophobicContact CG-CE1 4.4Å; L314-E340 HydrophobicContact CD1-CB 4.44Å; L314-E340 VanDerWaalsContact CD1-OE2 3.32Å; L314-E340 WeakPolarHBondContact CD1-OE2 3.43Å; L314-L341 HydrophobicContact CD2-CD1 4.47Å; L314-L341 HydrophobicContact CD2-CD2 4.12Å; L314-L341 HydrophobicContact CD2-CG 4.1Å
315A90.1Very high91.5Very high61 Ų6153.6 Ų53.650%0.50429%0.294SS..Hα-helixtrans-70.9-30.217800000112.4S313 R319S313-A315 PolarHBondContact O-N 3Å; S313-A315 PolarHBondContact OG-N 3.33Å; A315-R319 WeakPolarHBondContact O-CG 3.35Å
316D91.3Very high91.9Very high32 Ų3252.6 Ų52.617%0.17129%0.29CS..Hα-helixtrans-74.4-45.2171.2-57.4-57.9000111C311 S313 L314 A318 R319C311-D316 HydrophobicContact CB-CB 4.16Å; S313-D316 WeakPolarHBondContact CB-OD2 3.48Å; S313-D316 PolarHBondContact N-OD2 2.7Å; S313-D316 PolarHBondContact O-N 2.73Å; S313-D316 VanDerWaalsContact O-N 3.17Å; S313-D316 PolarHBondContact OG-N 3.17Å; S313-D316 VanDerWaalsContact OG-N 3.11Å; S313-D316 PolarHBondContact OG-OD2 2.8Å; L314-D316 VanDerWaalsContact C-N 3.34Å; D316-A318 PolarHBondContact O-N 3.4Å; D316-R319 VanDerWaalsContact O-CB 3.32Å; D316-R319 WeakPolarHBondContact O-CB 3.1Å; D316-R319 PolarHBondContact O-N 3.4Å; D316-R319 IonicContact OD1-CZ 3.17Å; D316-R319 IonicContact OD1-NH1 3.87Å; D316-R319 PolarHBondContact OD1-NH1 2.92Å
317L92.1Very high92.4Very high8 Ų844.6 Ų44.64%0.04226%0.259CS..Hα-helixtrans-60.1-33.2176.7-176.463.2000112.1A267 L269 S313 L314 R319 V320 K324 V326 L341A267-L317 HydrophobicContact CB-CD1 3.96Å; L269-L317 HydrophobicContact CD2-CB 4.33Å; L269-L317 HydrophobicContact CD2-CD2 3.75Å; S313-L317 PolarHBondContact O-N 2.81Å; S313-L317 VanDerWaalsContact O-N 3.15Å; L314-L317 PolarHBondContact O-N 3.46Å; L317-R319 PolarHBondContact O-N 3.29Å; L317-V320 HydrophobicContact CD1-CB 4.4Å; L317-V320 HydrophobicContact CD1-CG2 4.36Å; L317-V320 WeakPolarHBondContact O-CB 3.2Å; L317-V320 PolarHBondContact O-N 3.49Å; L317-V320 VanDerWaalsContact O-N 3.09Å; L317-K324 HydrophobicContact CD1-CD 3.7Å; L317-K324 HydrophobicContact CG-CD 4.33Å; L317-V326 HydrophobicContact CD1-CG1 4.13Å; L317-V326 HydrophobicContact CD1-CG2 3.75Å; L317-V326 HydrophobicContact CD2-CG1 4.18Å; L317-V326 HydrophobicContact CD2-CG2 4.09Å; L317-L341 HydrophobicContact CD2-CD1 3.7Å; L317-L341 HydrophobicContact CD2-CD2 3.87Å; L317-L341 HydrophobicContact CD2-CG 4.41Å
318A92.1Very high92.7Very high86 Ų8641.5 Ų41.571%0.71125%0.245SC*.THydrogen-bonded Turntrans-66.3-1917500000113.9L314 D316L314-A318 WeakPolarHBondContact O-CB 3.39Å; L314-A318 PolarHBondContact O-N 3.32Å; D316-A318 PolarHBondContact O-N 3.4Å
319R92.3Very high92.6Very high189 Ų18940.7 Ų40.771%0.71324%0.241SC*.THydrogen-bonded Turntrans-81.5-16.8173-59.5166.2-177.7160.3-3.4112.4A315 D316 L317A315-R319 WeakPolarHBondContact O-CG 3.35Å; D316-R319 VanDerWaalsContact O-CB 3.32Å; D316-R319 WeakPolarHBondContact O-CB 3.1Å; D316-R319 PolarHBondContact O-N 3.4Å; D316-R319 IonicContact OD1-CZ 3.17Å; D316-R319 IonicContact OD1-NH1 3.87Å; D316-R319 PolarHBondContact OD1-NH1 2.92Å; L317-R319 PolarHBondContact O-N 3.29Å
320V91Very high92.4Very high18 Ų1838.8 Ų38.811%0.10923%0.226CC..SBendtrans-78.9125.5-178.1-179.40000110L317 K324L317-V320 HydrophobicContact CD1-CB 4.4Å; L317-V320 HydrophobicContact CD1-CG2 4.36Å; L317-V320 WeakPolarHBondContact O-CB 3.2Å; L317-V320 PolarHBondContact O-N 3.49Å; L317-V320 VanDerWaalsContact O-N 3.09Å; V320-K324 HydrophobicContact CB-CD 4.31Å; V320-K324 HydrophobicContact CG1-CB 4.42Å; V320-K324 HydrophobicContact CG1-CD 4.13Å; V320-K324 WeakPolarHBondContact O-CE 3.37Å
321P90.8Very high92.2Very high89 Ų8936.8 Ų36.858%0.57822%0.217SC*.PPolyproline II helixtrans-57.5139.5-178.9-26.734.9000113.8S265S265-P321 WeakPolarHBondContact CB-O 3.32Å; S265-P321 PolarHBondContact OG-O 3.37Å
322S88.5Confident92.1Very high83 Ų8336.7 Ų36.758%0.5822%0.216SC*.SBendtrans-83.7153.3168-59.60000111.5K324S322-K324 PolarHBondContact OG-NZ 2.9Å
323P93.1Very high92.1Very high16 Ų1634.1 Ų34.110%0.10420%0.204CC..SBendcis-75.1149.8-9.830.5-33000111.7L227 G231 Y264L227-P323 HydrophobicContact CD2-CB 3.99Å; L227-P323 HydrophobicContact CD2-CG 4.33Å; G231-P323 VanDerWaalsContact O-CB 3.23Å; G231-P323 WeakPolarHBondContact O-CB 3.23Å; Y264-P323 HydrophobicContact CD1-CG 3.64Å; Y264-P323 HydrophobicContact CE1-CG 3.68Å
324K94.4Very high92.1Very high13 Ų1334.7 Ų34.76%0.05720%0.203CC..EExtended strand (participates in β ladder)trans-135.8157.7-174.475.8-163.568.663.60113.4N232 V233 S265 L317 V320 S322 V326 W345N232-K324 WeakPolarHBondContact CA-O 3.32Å; N232-K324 PolarHBondContact OD1-N 3.43Å; N232-K324 PolarHBondContact OD1-NZ 2.83Å; V233-K324 PolarHBondContact N-O 3.1Å; S265-K324 CarbonylContact O-C 3.6Å; S265-K324 VanDerWaalsContact O-CA 3.28Å; S265-K324 WeakPolarHBondContact O-CA 3.45Å; L317-K324 HydrophobicContact CD1-CD 3.7Å; L317-K324 HydrophobicContact CG-CD 4.33Å; V320-K324 HydrophobicContact CB-CD 4.31Å; V320-K324 HydrophobicContact CG1-CB 4.42Å; V320-K324 HydrophobicContact CG1-CD 4.13Å; V320-K324 WeakPolarHBondContact O-CE 3.37Å; S322-K324 PolarHBondContact OG-NZ 2.9Å; K324-V326 HydrophobicContact CD-CG2 4.07Å; K324-V326 HydrophobicContact CG-CG2 3.81Å; K324-W345 HydrophobicContact CD-CH2 4.49Å; K324-W345 HydrophobicContact CG-CH2 4.23Å
325V96.6Very high92Very high0 Ų032.4 Ų32.40%019%0.191CC..EExtended strand (participates in β ladder)trans-107.3133.3167.6-179.50000108.8V223 L227 V233 I235 W254 S265 L266 A267V223-V325 HydrophobicContact CG1-CG2 3.85Å; L227-V325 HydrophobicContact CD1-CG2 3.82Å; L227-V325 HydrophobicContact CD2-CG2 4.02Å; L227-V325 HydrophobicContact CG-CG2 4.2Å; V233-V325 HydrophobicContact CB-CB 4.37Å; V233-V325 HydrophobicContact CB-CG1 4.2Å; V233-V325 HydrophobicContact CB-CG2 4.02Å; V233-V325 HydrophobicContact CG1-CG1 4.49Å; V233-V325 HydrophobicContact CG2-CG2 4.07Å; V233-V325 WeakPolarHBondContact O-CA 3.48Å; I235-V325 HydrophobicContact CD1-CG1 3.61Å; I235-V325 HydrophobicContact CG1-CG1 4.11Å; W254-V325 HydrophobicContact CH2-CG2 3.89Å; W254-V325 HydrophobicContact CZ2-CG2 4.08Å; S265-V325 PolarHBondContact O-N 3.09Å; L266-V325 HydrophobicContact CD1-CB 3.76Å; L266-V325 HydrophobicContact CD1-CG1 3.76Å; A267-V325 PolarHBondContact N-O 3.45Å
326V96.8Very high92Very high0 Ų029.6 Ų29.60%017%0.168CC..EExtended strand (participates in β ladder)trans-128119.3179.7-160.30000110.5V233 I235 A267 L269 L317 K324 C328 L341 W345V233-V326 PolarHBondContact O-N 3.21Å; I235-V326 PolarHBondContact N-O 3.24Å; A267-V326 HydrophobicContact CB-CG1 4.2Å; A267-V326 HydrophobicContact CB-CG2 4.47Å; A267-V326 WeakPolarHBondContact O-CA 3.23Å; L269-V326 HydrophobicContact CB-CG1 3.89Å; L317-V326 HydrophobicContact CD1-CG1 4.13Å; L317-V326 HydrophobicContact CD1-CG2 3.75Å; L317-V326 HydrophobicContact CD2-CG1 4.18Å; L317-V326 HydrophobicContact CD2-CG2 4.09Å; K324-V326 HydrophobicContact CD-CG2 4.07Å; K324-V326 HydrophobicContact CG-CG2 3.81Å; V326-C328 WeakPolarHBondContact CG1-SG 3.43Å; V326-L341 HydrophobicContact CG1-CD1 4.48Å; V326-W345 HydrophobicContact CG2-CH2 3.65Å; V326-W345 HydrophobicContact CG2-CZ3 4.13Å
327L96.6Very high92Very high0 Ų028.7 Ų28.70%016%0.162CC..EExtended strand (participates in β ladder)trans-78119.4163.4-62.1167000107.5I235 V237 V243 L246 A247 L250 A267 L268 L269 L308I235-L327 HydrophobicContact CB-CD2 4.09Å; I235-L327 HydrophobicContact CD1-CD2 4.19Å; I235-L327 HydrophobicContact CG2-CD2 4.15Å; V237-L327 HydrophobicContact CG1-CD2 4.03Å; V237-L327 HydrophobicContact CG2-CB 4.12Å; V243-L327 HydrophobicContact CG2-CB 4.38Å; V243-L327 HydrophobicContact CG2-CD1 4.31Å; L246-L327 HydrophobicContact CB-CD2 4.1Å; A247-L327 HydrophobicContact CB-CD1 3.82Å; L250-L327 HydrophobicContact CD1-CD1 4.44Å; L250-L327 HydrophobicContact CD1-CD2 4.01Å; L250-L327 HydrophobicContact CD1-CG 4.41Å; A267-L327 PolarHBondContact O-N 2.91Å; L268-L327 WeakPolarHBondContact CA-O 3.41Å; L268-L327 HydrophobicContact CB-CB 4.35Å; L268-L327 HydrophobicContact CD1-CD1 4.29Å; L268-L327 HydrophobicContact CG-CB 4.24Å; L269-L327 PolarHBondContact N-O 3.29Å; L308-L327 HydrophobicContact CD1-CD1 4.31Å
328C94.4Very high92.1Very high0 Ų028.3 Ų28.30%016%0.16CC..EExtended strand (participates in β ladder)trans-121.1130.7-178.4-58.70000111.5L234 I235 V237 V326 L341L234-C328 HydrophobicContact CD1-CB 3.83Å; L234-C328 WeakPolarHBondContact CD1-SG 3.45Å; I235-C328 PolarHBondContact O-N 2.86Å; V237-C328 VanDerWaalsContact CG2-O 3.25Å; V237-C328 WeakPolarHBondContact CG2-O 3.38Å; V237-C328 PolarHBondContact N-O 2.91Å; V237-C328 VanDerWaalsContact O-O 3.04Å; V326-C328 WeakPolarHBondContact CG1-SG 3.43Å; C328-L341 WeakPolarHBondContact SG-CD1 3.45Å
329S90Very high92.1Very high0 Ų025.6 Ų25.60%013%0.132CC..EExtended strand (participates in β ladder)trans-55148.1170.552.10000113.2D100 V237 L269 N270 S338D100-S329 WeakPolarHBondContact OD2-CB 3.41Å; D100-S329 PolarHBondContact OD2-OG 3.47Å; V237-S329 CarbonylContact O-C 3.57Å; V237-S329 WeakPolarHBondContact O-CA 3.12Å; L269-S329 PolarHBondContact O-N 3.37Å; L269-S329 PolarHBondContact O-OG 3.46Å; N270-S329 PolarHBondContact OD1-N 2.85Å; S329-S338 WeakPolarHBondContact O-CB 3.46Å
330Q89.6Confident92.1Very high12 Ų1219 Ų196%0.05611%0.109CC..  trans77.898.7-176-46.5-59-38.500111.8V237 D332 S338V237-Q330 CarbonylContact O-C 3.54Å; V237-Q330 PolarHBondContact O-N 3.43Å; Q330-D332 VanDerWaalsContact C-N 3.33Å; Q330-D332 WeakPolarHBondContact CB-OD1 3.4Å; Q330-S338 WeakPolarHBondContact O-CB 3.48Å; Q330-S338 PolarHBondContact O-OG 2.93Å
331P90.8Very high92.2Very high20 Ų2018.2 Ų18.213%0.1310%0.104CC..THydrogen-bonded Turntrans-80.9-14.7-179.432.6-33.2000113.2V237 L333 Y357 T359V237-P331 WeakPolarHBondContact O-CD 3.27Å; P331-L333 VanDerWaalsContact C-N 3.27Å; P331-L333 PolarHBondContact O-N 2.95Å; P331-Y357 HydrophobicContact CG-CD1 4.36Å; P331-T359 HydrophobicContact CB-CG2 4.17Å; P331-T359 HydrophobicContact CG-CG2 3.86Å
332D91.2Very high92.4Very high2 Ų214 Ų141%0.0118%0.077CC..THydrogen-bonded Turntrans-72-17.5-179.961.24.4000113.8E38 Q330 E334 T359 T363 G365E38-D332 HydrophobicContact CG-CB 4.18Å; Q330-D332 VanDerWaalsContact C-N 3.33Å; Q330-D332 WeakPolarHBondContact CB-OD1 3.4Å; D332-E334 HydrophobicContact CB-CB 4.35Å; D332-E334 HydrophobicContact CB-CG 4.2Å; D332-E334 PolarHBondContact O-N 3.02Å; D332-E334 PolarHBondContact OD1-N 2.78Å; D332-T359 HydrophobicContact CB-CG2 3.96Å; D332-T363 HydrophobicContact CB-CG2 4.04Å; D332-G365 WeakPolarHBondContact O-CA 3.43Å; D332-G365 PolarHBondContact O-N 2.84Å
333L92.4Very high92.6Very high0 Ų011.6 Ų11.60%06%0.057CC..SBendtrans54.819.5-166.5-61.8171.1000114.2A236 P331 S338 R339 F342 L355 L364 L368A236-L333 HydrophobicContact CB-CD2 4.32Å; P331-L333 VanDerWaalsContact C-N 3.27Å; P331-L333 PolarHBondContact O-N 2.95Å; L333-S338 WeakPolarHBondContact CD2-O 3.17Å; L333-S338 VanDerWaalsContact CD2-OG 3.27Å; L333-S338 WeakPolarHBondContact CD2-OG 3.5Å; L333-R339 VanDerWaalsContact O-CB 3.29Å; L333-R339 WeakPolarHBondContact O-CB 3.49Å; L333-R339 VanDerWaalsContact O-CD 3.28Å; L333-R339 WeakPolarHBondContact O-CD 3.4Å; L333-R339 WeakPolarHBondContact O-CG 3.48Å; L333-F342 HydrophobicContact CD1-CD2 4.08Å; L333-F342 HydrophobicContact CD1-CE2 4.47Å; L333-F342 HydrophobicContact CD1-CG 4.23Å; L333-F342 HydrophobicContact CD2-CB 3.99Å; L333-F342 HydrophobicContact CD2-CG 4.47Å; L333-L355 HydrophobicContact CD1-CD2 3.92Å; L333-L355 HydrophobicContact CG-CD2 4.49Å; L333-L364 HydrophobicContact CB-CB 4.15Å; L333-L364 HydrophobicContact CB-CD2 3.7Å; L333-L364 HydrophobicContact CB-CG 3.87Å; L333-L364 HydrophobicContact CD1-CD2 4.42Å; L333-L364 HydrophobicContact CD1-CG 4.24Å; L333-L368 HydrophobicContact CD1-CD1 3.65Å
334E89.9Confident92.5Very high51 Ų5116.1 Ų16.124%0.2388%0.077CC..SBendtrans-88.5-28.2179.4-69.2-56.8146.100113.2D332 R339 T363 L364D332-E334 HydrophobicContact CB-CB 4.35Å; D332-E334 HydrophobicContact CB-CG 4.2Å; D332-E334 PolarHBondContact O-N 3.02Å; D332-E334 PolarHBondContact OD1-N 2.78Å; E334-R339 VanDerWaalsContact O-CD 3.23Å; E334-R339 WeakPolarHBondContact O-CD 3.22Å; E334-R339 PolarHBondContact O-NH1 2.91Å; E334-R339 IonicContact OE2-CZ 3.46Å; E334-R339 IonicContact OE2-NH1 2.73Å; E334-R339 PolarHBondContact OE2-NH1 2.72Å; E334-R339 IonicContact OE2-NH2 3.24Å; E334-T363 HydrophobicContact CG-CG2 4.11Å; E334-L364 WeakPolarHBondContact OE1-CB 3.25Å; E334-L364 PolarHBondContact OE1-N 3.02Å
335S88.6Confident92.4Very high1 Ų116.7 Ų16.71%0.0078%0.079CC..SBendtrans-140.2166.9-179.7730000114.2S104S104-S335 PolarHBondContact OG-OG 2.75Å
336G88.8Confident92.2Very high2 Ų216.7 Ų16.72%0.0218%0.079CC..Hα-helixtrans63.2-162.3173.200000116.2S104 S338 R339 E340S104-G336 PolarHBondContact O-N 3.21Å; G336-S338 PolarHBondContact O-N 3.18Å; G336-R339 PolarHBondContact O-N 3.09Å; G336-E340 PolarHBondContact O-N 3.46Å
337F92.1Very high92Very high12 Ų1221.5 Ų21.55%0.05310%0.101CC..Hα-helixtrans-64-26.1-168.6-56.5-58.5000113.9L269 H312 L314 E340 L341L269-F337 HydrophobicContact CD1-CD2 3.8Å; L269-F337 HydrophobicContact CD1-CE2 3.92Å; L269-F337 HydrophobicContact CD1-CG 4.11Å; L269-F337 HydrophobicContact CD1-CZ 4.35Å; L269-F337 HydrophobicContact CD2-CB 3.63Å; L269-F337 HydrophobicContact CD2-CD1 4.18Å; L269-F337 HydrophobicContact CD2-CD2 4.2Å; L269-F337 HydrophobicContact CD2-CG 3.75Å; L269-F337 HydrophobicContact CG-CB 3.82Å; L269-F337 HydrophobicContact CG-CD1 4.42Å; L269-F337 HydrophobicContact CG-CD2 3.6Å; L269-F337 HydrophobicContact CG-CE2 4.25Å; L269-F337 HydrophobicContact CG-CG 3.68Å; H312-F337 VanDerWaalsContact O-CZ 3.31Å; H312-F337 WeakPolarHBondContact O-CZ 3.3Å; L314-F337 HydrophobicContact CD2-CD1 4.21Å; L314-F337 HydrophobicContact CG-CD1 4.07Å; L314-F337 HydrophobicContact CG-CE1 4.4Å; F337-E340 PolarHBondContact O-N 3.17Å; F337-L341 VanDerWaalsContact O-CB 3.29Å; F337-L341 WeakPolarHBondContact O-CB 3.25Å; F337-L341 WeakPolarHBondContact O-CG 3.36Å; F337-L341 PolarHBondContact O-N 3.42Å
338S93.7Very high91.9Very high0 Ų025 Ų250%012%0.12CC..Hα-helixtrans-64.1-45.1177.3-160.30000111.1S329 Q330 L333 G336 F342S329-S338 WeakPolarHBondContact O-CB 3.46Å; Q330-S338 WeakPolarHBondContact O-CB 3.48Å; Q330-S338 PolarHBondContact O-OG 2.93Å; L333-S338 WeakPolarHBondContact CD2-O 3.17Å; L333-S338 VanDerWaalsContact CD2-OG 3.27Å; L333-S338 WeakPolarHBondContact CD2-OG 3.5Å; G336-S338 PolarHBondContact O-N 3.18Å; S338-F342 VanDerWaalsContact O-CB 3.3Å; S338-F342 WeakPolarHBondContact O-CB 3.09Å; S338-F342 PolarHBondContact O-N 3.03Å
339R92.6Very high91.9Very high30 Ų3028.4 Ų28.411%0.11315%0.148CC..Hα-helixtrans-64.4-46.2171.5-170.1173.5-172.113510.6112L333 E334 G336 L341 F342 I343 E380L333-R339 VanDerWaalsContact O-CB 3.29Å; L333-R339 WeakPolarHBondContact O-CB 3.49Å; L333-R339 VanDerWaalsContact O-CD 3.28Å; L333-R339 WeakPolarHBondContact O-CD 3.4Å; L333-R339 WeakPolarHBondContact O-CG 3.48Å; E334-R339 VanDerWaalsContact O-CD 3.23Å; E334-R339 WeakPolarHBondContact O-CD 3.22Å; E334-R339 PolarHBondContact O-NH1 2.91Å; E334-R339 IonicContact OE2-CZ 3.46Å; E334-R339 IonicContact OE2-NH1 2.73Å; E334-R339 PolarHBondContact OE2-NH1 2.72Å; E334-R339 IonicContact OE2-NH2 3.24Å; G336-R339 PolarHBondContact O-N 3.09Å; R339-L341 PolarHBondContact O-N 3.05Å; R339-F342 PolarHBondContact O-N 3.08Å; R339-I343 HydrophobicContact CG-CD1 4.02Å; R339-I343 WeakPolarHBondContact O-CG1 3.36Å; R339-I343 PolarHBondContact O-N 2.88Å; R339-E380 PolarHBondContact NH2-O 3.45Å
340E91.4Very high92.1Very high50 Ų5032.7 Ų32.723%0.23417%0.167CC..Hα-helixtrans-63.7-38.8-178.2-66.6-169134.800113.1L314 G336 F337 Q344L314-E340 HydrophobicContact CD1-CB 4.44Å; L314-E340 VanDerWaalsContact CD1-OE2 3.32Å; L314-E340 WeakPolarHBondContact CD1-OE2 3.43Å; G336-E340 PolarHBondContact O-N 3.46Å; F337-E340 PolarHBondContact O-N 3.17Å; E340-Q344 VanDerWaalsContact O-CG 3.29Å; E340-Q344 WeakPolarHBondContact O-CG 3.31Å; E340-Q344 PolarHBondContact O-N 3.48Å; E340-Q344 PolarHBondContact O-NE2 3.03Å
341L93.6Very high92.4Very high2 Ų232.5 Ų32.51%0.0117%0.166CC..Hα-helixtrans-76-34.6176.1-75.4166.9000112.1L234 L269 L314 L317 V326 C328 F337 R339 Q344 W345L234-L341 HydrophobicContact CD1-CB 4.23Å; L234-L341 HydrophobicContact CD2-CB 4.26Å; L269-L341 HydrophobicContact CD2-CD1 3.89Å; L314-L341 HydrophobicContact CD2-CD1 4.47Å; L314-L341 HydrophobicContact CD2-CD2 4.12Å; L314-L341 HydrophobicContact CD2-CG 4.1Å; L317-L341 HydrophobicContact CD2-CD1 3.7Å; L317-L341 HydrophobicContact CD2-CD2 3.87Å; L317-L341 HydrophobicContact CD2-CG 4.41Å; V326-L341 HydrophobicContact CG1-CD1 4.48Å; C328-L341 WeakPolarHBondContact SG-CD1 3.45Å; F337-L341 VanDerWaalsContact O-CB 3.29Å; F337-L341 WeakPolarHBondContact O-CB 3.25Å; F337-L341 WeakPolarHBondContact O-CG 3.36Å; F337-L341 PolarHBondContact O-N 3.42Å; R339-L341 PolarHBondContact O-N 3.05Å; L341-Q344 PolarHBondContact O-N 2.89Å; L341-W345 HydrophobicContact CD2-CD2 4.36Å; L341-W345 HydrophobicContact CD2-CH2 4.2Å; L341-W345 HydrophobicContact CD2-CZ2 3.72Å; L341-W345 VanDerWaalsContact O-CB 3.29Å; L341-W345 WeakPolarHBondContact O-CB 3.38Å; L341-W345 PolarHBondContact O-N 3.35Å
342F94.3Very high92.7Very high1 Ų131.5 Ų31.50%0.00416%0.16CC..Hα-helixtrans-57.1-51.9171.6177.6-100.1000110.8L234 L333 S338 R339 Q344 W345 C346 V353 L364 L368 L377 L379 I533L234-F342 HydrophobicContact CD2-CB 3.95Å; L333-F342 HydrophobicContact CD1-CD2 4.08Å; L333-F342 HydrophobicContact CD1-CE2 4.47Å; L333-F342 HydrophobicContact CD1-CG 4.23Å; L333-F342 HydrophobicContact CD2-CB 3.99Å; L333-F342 HydrophobicContact CD2-CG 4.47Å; S338-F342 VanDerWaalsContact O-CB 3.3Å; S338-F342 WeakPolarHBondContact O-CB 3.09Å; S338-F342 PolarHBondContact O-N 3.03Å; R339-F342 PolarHBondContact O-N 3.08Å; F342-Q344 VanDerWaalsContact C-N 3.3Å; F342-Q344 PolarHBondContact O-N 3.34Å; F342-W345 PolarHBondContact O-N 3.4Å; F342-C346 HydrophobicContact CD2-CB 4.37Å; F342-C346 HydrophobicContact CE1-CB 4.34Å; F342-C346 HydrophobicContact CE2-CB 4.09Å; F342-C346 HydrophobicContact CZ-CB 4.07Å; F342-C346 WeakPolarHBondContact O-CB 3.17Å; F342-C346 PolarHBondContact O-N 3.27Å; F342-C346 PolarHBondContact O-SG 2.83Å; F342-C346 VanDerWaalsContact O-SG 3.41Å; F342-V353 HydrophobicContact CD2-CG1 4.01Å; F342-V353 HydrophobicContact CD2-CG2 3.99Å; F342-V353 HydrophobicContact CE2-CG1 4.36Å; F342-V353 HydrophobicContact CE2-CG2 4.3Å; F342-L364 HydrophobicContact CD1-CD2 4.21Å; F342-L364 HydrophobicContact CE1-CD2 4.2Å; F342-L368 HydrophobicContact CE1-CD1 4.39Å; F342-L368 HydrophobicContact CE2-CD1 3.69Å; F342-L368 HydrophobicContact CZ-CD1 3.62Å; F342-L368 HydrophobicContact CZ-CD2 4.33Å; F342-L377 HydrophobicContact CE1-CD2 4.47Å; F342-L379 HydrophobicContact CD1-CD1 4.43Å; F342-L379 HydrophobicContact CE1-CD1 4.11Å; F342-I533 HydrophobicContact CZ-CD1 4.12Å; F342-I533 HydrophobicContact CZ-CG1 4.45Å
343I92.6Very high92.9Very high31 Ų3131.4 Ų31.416%0.15916%0.159CC..Hα-helixtrans-57.9-41.7177.9-67162.6000111.7R339 I381 L531R339-I343 HydrophobicContact CG-CD1 4.02Å; R339-I343 WeakPolarHBondContact O-CG1 3.36Å; R339-I343 PolarHBondContact O-N 2.88Å; I343-I381 HydrophobicContact CD1-CD1 4.26Å; I343-I381 HydrophobicContact CD1-CG1 4.02Å; I343-I381 HydrophobicContact CD1-CG2 4.32Å; I343-I381 HydrophobicContact CG2-CD1 4.02Å; I343-L531 HydrophobicContact CG1-CD1 4.1Å; I343-L531 HydrophobicContact CG2-CD1 4.18Å
344Q91.3Very high93.1Very high111 Ų11131.4 Ų31.452%0.51916%0.159SC..Hα-helixtrans-69.4-34178.7-75.1170.164.800113.7E340 L341 F342E340-Q344 VanDerWaalsContact O-CG 3.29Å; E340-Q344 WeakPolarHBondContact O-CG 3.31Å; E340-Q344 PolarHBondContact O-N 3.48Å; E340-Q344 PolarHBondContact O-NE2 3.03Å; L341-Q344 PolarHBondContact O-N 2.89Å; F342-Q344 VanDerWaalsContact C-N 3.3Å; F342-Q344 PolarHBondContact O-N 3.34Å
345W93.3Very high93.4Very high26 Ų2629.1 Ų29.110%0.09815%0.148CC..Hα-helixtrans-107.2-18.1-167.7-67.8-0.4000114.1N232 L234 K324 V326 L341 F342 Q347 D348 N351N232-W345 HydrophobicContact CB-CD2 4.12Å; N232-W345 HydrophobicContact CB-CE3 3.76Å; N232-W345 HydrophobicContact CB-CH2 3.6Å; N232-W345 HydrophobicContact CB-CZ2 3.95Å; N232-W345 HydrophobicContact CB-CZ3 3.51Å; L234-W345 HydrophobicContact CB-CE3 3.96Å; L234-W345 HydrophobicContact CB-CZ3 4.18Å; K324-W345 HydrophobicContact CD-CH2 4.49Å; K324-W345 HydrophobicContact CG-CH2 4.23Å; V326-W345 HydrophobicContact CG2-CH2 3.65Å; V326-W345 HydrophobicContact CG2-CZ3 4.13Å; L341-W345 HydrophobicContact CD2-CD2 4.36Å; L341-W345 HydrophobicContact CD2-CH2 4.2Å; L341-W345 HydrophobicContact CD2-CZ2 3.72Å; L341-W345 VanDerWaalsContact O-CB 3.29Å; L341-W345 WeakPolarHBondContact O-CB 3.38Å; L341-W345 PolarHBondContact O-N 3.35Å; F342-W345 PolarHBondContact O-N 3.4Å; W345-Q347 PolarHBondContact O-N 3.46Å; W345-D348 PolarHBondContact O-N 3.32Å; W345-N351 HydrophobicContact CB-CB 4.29Å; W345-N351 WeakPolarHBondContact CB-ND2 3.49Å; W345-N351 PolarHBondContact O-ND2 2.91Å
346C92Very high93.7Very high0 Ų029.2 Ų29.20%015%0.149CC..THydrogen-bonded Turntrans-63.4-25.6-176.770.20000113.7F342 K534 A535F342-C346 HydrophobicContact CD2-CB 4.37Å; F342-C346 HydrophobicContact CE1-CB 4.34Å; F342-C346 HydrophobicContact CE2-CB 4.09Å; F342-C346 HydrophobicContact CZ-CB 4.07Å; F342-C346 WeakPolarHBondContact O-CB 3.17Å; F342-C346 PolarHBondContact O-N 3.27Å; F342-C346 PolarHBondContact O-SG 2.83Å; F342-C346 VanDerWaalsContact O-SG 3.41Å; C346-K534 PolarHBondContact O-N 3.12Å; C346-A535 PolarHBondContact O-N 3.11Å
347Q92.3Very high93.9Very high101 Ų10130 Ų3047%0.47215%0.151SC..THydrogen-bonded Turntrans-80.3-13-176.9-61.1-169.67.200114.6W345 L531 K534W345-Q347 PolarHBondContact O-N 3.46Å; Q347-L531 VanDerWaalsContact NE2-CD2 3.27Å; Q347-K534 WeakPolarHBondContact O-CD 3.37Å
348D94.1Very high93.9Very high72 Ų7230.7 Ų30.739%0.38515%0.154SC..  trans-102.6121.3178.5-177.2-2.9000111.2W345 K350 N351 A535W345-D348 PolarHBondContact O-N 3.32Å; D348-K350 PolarHBondContact O-N 3.19Å; D348-K350 VanDerWaalsContact O-N 3.16Å; D348-K350 WeakPolarHBondContact OD1-CB 3.32Å; D348-K350 PolarHBondContact OD1-N 2.96Å; D348-N351 PolarHBondContact O-N 2.97Å; D348-N351 VanDerWaalsContact O-N 3.09Å; D348-A535 WeakPolarHBondContact O-CA 3.35Å; D348-A535 WeakPolarHBondContact O-CB 3.42Å
349A94.3Very high93.7Very high73 Ų7330.8 Ų30.860%0.60316%0.155SC*.THydrogen-bonded Turntrans-64.2-14.1179.300000114.5K534A349-K534 WeakPolarHBondContact CA-O 3.43Å; A349-K534 HydrophobicContact CB-CB 4.15Å
350K94.9Very high93.6Very high90 Ų9030 Ų3039%0.39115%0.153SC..THydrogen-bonded Turntrans-72.3-32.3171-70.1-178.8164.7-169.90113.4T226 D230 D348T226-K350 WeakPolarHBondContact CG2-O 3.35Å; D230-K350 WeakPolarHBondContact O-CD 3.29Å; D230-K350 PolarHBondContact O-NZ 3.24Å; D230-K350 IonicContact OD2-NZ 3.42Å; D230-K350 PolarHBondContact OD2-NZ 2.71Å; D348-K350 PolarHBondContact O-N 3.19Å; D348-K350 VanDerWaalsContact O-N 3.16Å; D348-K350 WeakPolarHBondContact OD1-CB 3.32Å; D348-K350 PolarHBondContact OD1-N 2.96Å
351N96.3Very high93.4Very high7 Ų731 Ų314%0.03716%0.164CC..  trans-77.5159.8-171.2-66.8-36.2000111.5N232 W345 D348 A535 R536N232-N351 PolarHBondContact N-OD1 3Å; N232-N351 PolarHBondContact ND2-OD1 3.36Å; N232-N351 WeakPolarHBondContact O-CA 3.03Å; W345-N351 HydrophobicContact CB-CB 4.29Å; W345-N351 WeakPolarHBondContact CB-ND2 3.49Å; W345-N351 PolarHBondContact O-ND2 2.91Å; D348-N351 PolarHBondContact O-N 2.97Å; D348-N351 VanDerWaalsContact O-N 3.09Å; N351-A535 HydrophobicContact CB-CB 4.08Å; N351-A535 WeakPolarHBondContact O-CA 3.26Å; N351-A535 WeakPolarHBondContact O-CB 3.18Å; N351-R536 PolarHBondContact O-N 3.45Å
352S96.5Very high93.1Very high0 Ų034.9 Ų34.90%020%0.204CC..EExtended strand (participates in β ladder)trans-129.6140.5173.1-171.30000110.7N222 T226 N232 V233 L234 R536N222-S352 PolarHBondContact ND2-OG 2.96Å; N222-S352 PolarHBondContact OD1-OG 2.96Å; T226-S352 VanDerWaalsContact OG1-CB 3.25Å; T226-S352 WeakPolarHBondContact OG1-CB 3.39Å; N232-S352 PolarHBondContact O-N 3.22Å; N232-S352 VanDerWaalsContact O-N 3.07Å; V233-S352 WeakPolarHBondContact CA-O 3.5Å; L234-S352 PolarHBondContact N-O 3.38Å; S352-R536 CarbonylContact C-O 3.6Å; S352-R536 VanDerWaalsContact CA-O 3.28Å; S352-R536 WeakPolarHBondContact CA-O 3.28Å; S352-R536 PolarHBondContact OG-O 3.46Å; S352-R536 VanDerWaalsContact OG-O 3.13Å
353V96.1Very high93Very high0 Ų035.2 Ų35.20%021%0.206CC..EExtended strand (participates in β ladder)trans-118.5113.4177.9179.50000107.4L234 F342 L355 R536 V537 T538L234-V353 HydrophobicContact CB-CG2 4.42Å; L234-V353 HydrophobicContact CD2-CG1 4.19Å; L234-V353 HydrophobicContact CD2-CG2 4.38Å; L234-V353 HydrophobicContact CG-CG1 4.45Å; L234-V353 WeakPolarHBondContact O-CA 3.38Å; F342-V353 HydrophobicContact CD2-CG1 4.01Å; F342-V353 HydrophobicContact CD2-CG2 3.99Å; F342-V353 HydrophobicContact CE2-CG1 4.36Å; F342-V353 HydrophobicContact CE2-CG2 4.3Å; V353-L355 HydrophobicContact CG1-CD2 4.13Å; V353-R536 PolarHBondContact N-O 2.98Å; V353-V537 HydrophobicContact CB-CG2 4.37Å; V353-V537 CarbonylContact O-C 3.45Å; V353-V537 WeakPolarHBondContact O-CA 3.38Å; V353-T538 PolarHBondContact O-N 3.21Å
354I96.8Very high92.9Very high0 Ų034.1 Ų34.10%020%0.201CC..EExtended strand (participates in β ladder)trans-106.2115.6-177.1-53.2-174.8000108.9L219 N222 V223 V233 L234 I235 A236 T356 T538 I540L219-I354 HydrophobicContact CD1-CD1 3.75Å; L219-I354 HydrophobicContact CD1-CG2 4.15Å; N222-I354 HydrophobicContact CB-CD1 4.25Å; V223-I354 HydrophobicContact CG2-CD1 3.97Å; V233-I354 HydrophobicContact CG1-CD1 3.72Å; V233-I354 HydrophobicContact CG1-CG1 3.98Å; L234-I354 PolarHBondContact O-N 3.1Å; I235-I354 WeakPolarHBondContact CA-O 3.47Å; I235-I354 HydrophobicContact CG1-CB 4.27Å; I235-I354 HydrophobicContact CG1-CD1 4.49Å; I235-I354 HydrophobicContact CG2-CB 4.32Å; I235-I354 HydrophobicContact CG2-CG2 4.48Å; A236-I354 PolarHBondContact N-O 3.35Å; I354-T356 HydrophobicContact CG2-CG2 4.15Å; I354-T538 WeakPolarHBondContact CA-O 3.3Å; I354-I540 HydrophobicContact CG2-CB 4.33Å; I354-I540 HydrophobicContact CG2-CD1 3.92Å; I354-I540 HydrophobicContact CG2-CG1 4.04Å
355L96.3Very high92.9Very high2 Ų228.9 Ų28.91%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-95.1124.9176.8-56.1178.9000108.3A236 L333 V353 L368 I369 V537 T538 Y539 I540A236-L355 HydrophobicContact CB-CD2 3.84Å; L333-L355 HydrophobicContact CD1-CD2 3.92Å; L333-L355 HydrophobicContact CG-CD2 4.49Å; V353-L355 HydrophobicContact CG1-CD2 4.13Å; L355-L368 HydrophobicContact CD1-CB 3.72Å; L355-I369 HydrophobicContact CB-CD1 4.5Å; L355-I369 HydrophobicContact CB-CG1 4.32Å; L355-I369 HydrophobicContact CD1-CD1 4.48Å; L355-I369 HydrophobicContact CD1-CG1 3.79Å; L355-V537 HydrophobicContact CD1-CG1 4.1Å; L355-V537 HydrophobicContact CG-CG1 4.48Å; L355-T538 PolarHBondContact N-O 3.15Å; L355-Y539 HydrophobicContact CB-CD2 4.29Å; L355-Y539 WeakPolarHBondContact O-CA 3.5Å; L355-Y539 WeakPolarHBondContact O-CD2 3.22Å; L355-I540 PolarHBondContact O-N 3.14Å
356T95.2Very high92.8Very high4 Ų428.7 Ų28.73%0.02518%0.176CC..  trans-111.3-6.9-168.465.20000115I235 A236 V237 L246 I354 I540 Y542 E543I235-T356 HydrophobicContact CG2-CG2 3.5Å; I235-T356 VanDerWaalsContact CG2-CG2 3.5Å; A236-T356 PolarHBondContact O-OG1 2.78Å; V237-T356 HydrophobicContact CG1-CG2 4.47Å; L246-T356 HydrophobicContact CD1-CG2 3.89Å; I354-T356 HydrophobicContact CG2-CG2 4.15Å; T356-I540 WeakPolarHBondContact CA-O 3.46Å; T356-Y542 CarbonylContact O-C 3.59Å; T356-Y542 PolarHBondContact O-N 2.86Å; T356-E543 PolarHBondContact O-N 3.47Å
357Y92.7Very high92.8Very high17 Ų1732.9 Ų32.97%0.06719%0.192CC..SBendtrans-142.7148.6-173-170-88.4000108.9P331 T359 I369 E543 R545P331-Y357 HydrophobicContact CG-CD1 4.36Å; Y357-T359 HydrophobicContact CD1-CG2 3.91Å; Y357-T359 HydrophobicContact CE1-CG2 4.41Å; Y357-I369 WeakPolarHBondContact O-CD1 3.4Å; Y357-E543 HydrophobicContact CD2-CB 3.88Å; Y357-E543 HydrophobicContact CE2-CB 4.28Å; Y357-R545 PolarHBondContact OH-NH2 3.12Å
358R91.8Very high92.8Very high27 Ų2728.8 Ų28.810%0.10217%0.173CC..  trans-94.8112.6169.4-92.7177.4-65.1140.22.9109.2F203 N204 I369 Y539 E543F203-R358 VanDerWaalsContact CE1-CZ 3.46Å; F203-R358 VanDerWaalsContact CE1-NH1 3.35Å; F203-R358 HydrophobicContact CZ-CB 4.1Å; N204-R358 PolarHBondContact OD1-NH2 3.49Å; R358-I369 HydrophobicContact CG-CD1 3.96Å; R358-Y539 HydrophobicContact CG-CE2 4.15Å; R358-Y539 PolarHBondContact NE-OH 3.08Å; R358-E543 IonicContact CZ-OE1 2.64Å; R358-E543 IonicContact CZ-OE2 3.12Å; R358-E543 IonicContact NH2-OE1 2.69Å; R358-E543 PolarHBondContact NH2-OE1 2.98Å; R358-E543 IonicContact NH2-OE2 2.71Å; R358-E543 PolarHBondContact NH2-OE2 3.24Å
359T90.2Very high92.7Very high3 Ų326.6 Ų26.62%0.01816%0.161CC..  trans-87.1174.3173.449.70000111.5E38 P331 D332 Y357 T363 R366E38-T359 VanDerWaalsContact OE1-CB 3.27Å; E38-T359 WeakPolarHBondContact OE1-CB 3.23Å; P331-T359 HydrophobicContact CB-CG2 4.17Å; P331-T359 HydrophobicContact CG-CG2 3.86Å; D332-T359 HydrophobicContact CB-CG2 3.96Å; Y357-T359 HydrophobicContact CD1-CG2 3.91Å; Y357-T359 HydrophobicContact CE1-CG2 4.41Å; T359-T363 WeakPolarHBondContact CB-OG1 3.31Å; T359-T363 PolarHBondContact OG1-OG1 2.93Å; T359-R366 PolarHBondContact O-NH1 3.42Å
360T89.3Confident92.5Very high14 Ų1427.5 Ų27.59%0.08616%0.156CC..  trans-56.1144.9-17845.90000113E16 E38 L66 G362 T363 R366E16-T360 WeakPolarHBondContact O-CG2 3.05Å; E38-T360 PolarHBondContact OE1-N 3.21Å; E38-T360 PolarHBondContact OE1-OG1 3.27Å; E38-T360 WeakPolarHBondContact OE2-CB 3.39Å; E38-T360 WeakPolarHBondContact OE2-CG2 3.4Å; E38-T360 PolarHBondContact OE2-OG1 3.35Å; L66-T360 HydrophobicContact CD2-CG2 4.47Å; T360-G362 PolarHBondContact O-N 2.81Å; T360-T363 PolarHBondContact O-N 3.34Å; T360-T363 PolarHBondContact O-OG1 3.11Å; T360-T363 WeakPolarHBondContact OG1-CG2 3.35Å; T360-R366 WeakPolarHBondContact O-CB 3.18Å
361P88.3Confident92.2Very high71 Ų7126.4 Ų26.446%0.46115%0.154SC..THydrogen-bonded Turntrans-52.1133.5167-26.635.4000111.5E16E16-P361 HydrophobicContact CB-CG 4.25Å
362G86.6Confident91.5Very high82 Ų8231.3 Ų31.385%0.84519%0.187SC*.THydrogen-bonded Turntrans101.4-19.4-175.300000114.5T360T360-G362 PolarHBondContact O-N 2.81Å
363T91.5Very high90.5Very high8 Ų834.4 Ų34.45%0.04922%0.219CC..SBendtrans-74.5148.5171.559.10000112.6E38 D332 E334 T359 T360 G365 R366 Y367E38-T363 HydrophobicContact CB-CG2 3.99Å; E38-T363 HydrophobicContact CG-CG2 4.42Å; D332-T363 HydrophobicContact CB-CG2 4.04Å; E334-T363 HydrophobicContact CG-CG2 4.11Å; T359-T363 WeakPolarHBondContact CB-OG1 3.31Å; T359-T363 PolarHBondContact OG1-OG1 2.93Å; T360-T363 PolarHBondContact O-N 3.34Å; T360-T363 PolarHBondContact O-OG1 3.11Å; T360-T363 WeakPolarHBondContact OG1-CG2 3.35Å; T363-G365 VanDerWaalsContact C-N 3.29Å; T363-G365 PolarHBondContact O-N 3.4Å; T363-R366 PolarHBondContact O-N 3.23Å; T363-R366 VanDerWaalsContact O-N 3.1Å; T363-R366 WeakPolarHBondContact OG1-CB 3.26Å; T363-R366 PolarHBondContact OG1-N 3.33Å; T363-Y367 PolarHBondContact O-N 3.28Å
364L91.4Very high89.5Confident8 Ų838.9 Ų38.94%0.04224%0.24CC..Hα-helixtrans-54.8-43.4173.2172.557.1000112.3L333 E334 F342 R366 Y367 L368 L377 L379L333-L364 HydrophobicContact CB-CB 4.15Å; L333-L364 HydrophobicContact CB-CD2 3.7Å; L333-L364 HydrophobicContact CB-CG 3.87Å; L333-L364 HydrophobicContact CD1-CD2 4.42Å; L333-L364 HydrophobicContact CD1-CG 4.24Å; E334-L364 WeakPolarHBondContact OE1-CB 3.25Å; E334-L364 PolarHBondContact OE1-N 3.02Å; F342-L364 HydrophobicContact CD1-CD2 4.21Å; F342-L364 HydrophobicContact CE1-CD2 4.2Å; L364-R366 VanDerWaalsContact C-N 3.29Å; L364-R366 PolarHBondContact O-N 2.69Å; L364-Y367 PolarHBondContact O-N 3.38Å; L364-L368 HydrophobicContact CD1-CD1 3.82Å; L364-L368 HydrophobicContact CD1-CG 3.96Å; L364-L368 HydrophobicContact CG-CD1 4.07Å; L364-L368 WeakPolarHBondContact O-CG 3.46Å; L364-L368 PolarHBondContact O-N 3.08Å; L364-L377 HydrophobicContact CD1-CD2 3.5Å; L364-L379 HydrophobicContact CD1-CD2 4.25Å; L364-L379 HydrophobicContact CD2-CD1 3.81Å; L364-L379 HydrophobicContact CD2-CD2 3.91Å
365G90.7Very high88.7Confident1 Ų145.4 Ų45.41%0.0127%0.268CS..Hα-helixtrans-55.3-44.6175.400000111.8D332 T363 I369D332-G365 WeakPolarHBondContact O-CA 3.43Å; D332-G365 PolarHBondContact O-N 2.84Å; T363-G365 VanDerWaalsContact C-N 3.29Å; T363-G365 PolarHBondContact O-N 3.4Å; G365-I369 VanDerWaalsContact O-CG1 3.31Å; G365-I369 WeakPolarHBondContact O-CG1 3.49Å; G365-I369 PolarHBondContact O-N 2.96Å
366R91.8Very high88.1Confident23 Ų2350.6 Ų50.69%0.08729%0.294CS..Hα-helixtrans-70.6-42.3176.2-174.648.9166.9-88.1-1.9112.8E16 T359 T360 T363 L364 L368 I369 D370E16-R366 IonicContact OE1-CZ 3.7Å; E16-R366 IonicContact OE1-NH1 2.68Å; E16-R366 IonicContact OE1-NH2 3.21Å; E16-R366 PolarHBondContact OE1-NH2 2.7Å; E16-R366 IonicContact OE2-CZ 2.69Å; E16-R366 IonicContact OE2-NH1 3.56Å; E16-R366 PolarHBondContact OE2-NH1 3.12Å; E16-R366 IonicContact OE2-NH2 3.33Å; E16-R366 PolarHBondContact OE2-NH2 3.34Å; E16-R366 VanDerWaalsContact OE2-NH2 3.14Å; T359-R366 PolarHBondContact O-NH1 3.42Å; T360-R366 WeakPolarHBondContact O-CB 3.18Å; T363-R366 PolarHBondContact O-N 3.23Å; T363-R366 VanDerWaalsContact O-N 3.1Å; T363-R366 WeakPolarHBondContact OG1-CB 3.26Å; T363-R366 PolarHBondContact OG1-N 3.33Å; L364-R366 VanDerWaalsContact C-N 3.29Å; L364-R366 PolarHBondContact O-N 2.69Å; R366-L368 PolarHBondContact O-N 2.92Å; R366-I369 WeakPolarHBondContact O-CB 3.41Å; R366-I369 PolarHBondContact O-N 3.27Å; R366-D370 VanDerWaalsContact CD-OD2 3.29Å; R366-D370 WeakPolarHBondContact CD-OD2 3.43Å; R366-D370 IonicContact CZ-OD2 3.49Å; R366-D370 IonicContact NE-OD1 4Å; R366-D370 PolarHBondContact NE-OD1 2.82Å; R366-D370 IonicContact NE-OD2 3.72Å; R366-D370 PolarHBondContact NE-OD2 3Å; R366-D370 PolarHBondContact O-N 2.87Å
367Y92.3Very high87.7Confident88 Ų8851.3 Ų51.335%0.34530%0.297SS..Hα-helixtrans-54.1-41176.3-172.3-92.7000112.5T363 L364 N371 E374 L377T363-Y367 PolarHBondContact O-N 3.28Å; L364-Y367 PolarHBondContact O-N 3.38Å; Y367-N371 HydrophobicContact CE1-CB 4.38Å; Y367-N371 WeakPolarHBondContact O-CB 3.47Å; Y367-N371 PolarHBondContact O-N 3.48Å; Y367-N371 PolarHBondContact O-ND2 3.37Å; Y367-E374 PolarHBondContact OH-OE2 3.08Å; Y367-L377 HydrophobicContact CD1-CD1 4.03Å; Y367-L377 HydrophobicContact CE1-CD1 3.75Å
368L91.8Very high87.2Confident14 Ų1455.9 Ų55.97%0.07332%0.323CS..Hα-helixtrans-75-20.5179-69.7171.8000114.4L333 F342 L355 L364 R366 I533 V537L333-L368 HydrophobicContact CD1-CD1 3.65Å; F342-L368 HydrophobicContact CE1-CD1 4.39Å; F342-L368 HydrophobicContact CE2-CD1 3.69Å; F342-L368 HydrophobicContact CZ-CD1 3.62Å; F342-L368 HydrophobicContact CZ-CD2 4.33Å; L355-L368 HydrophobicContact CD1-CB 3.72Å; L364-L368 HydrophobicContact CD1-CD1 3.82Å; L364-L368 HydrophobicContact CD1-CG 3.96Å; L364-L368 HydrophobicContact CG-CD1 4.07Å; L364-L368 WeakPolarHBondContact O-CG 3.46Å; L364-L368 PolarHBondContact O-N 3.08Å; R366-L368 PolarHBondContact O-N 2.92Å; L368-I533 HydrophobicContact CD2-CD1 3.77Å; L368-V537 HydrophobicContact CB-CG1 4.23Å
369I92.3Very high86.9Confident26 Ų2655.2 Ų55.213%0.13332%0.321CS..Hα-helixtrans-77.5-45.3171.9-67166000109.8L355 Y357 R358 G365 R366 Y539L355-I369 HydrophobicContact CB-CD1 4.5Å; L355-I369 HydrophobicContact CB-CG1 4.32Å; L355-I369 HydrophobicContact CD1-CD1 4.48Å; L355-I369 HydrophobicContact CD1-CG1 3.79Å; Y357-I369 WeakPolarHBondContact O-CD1 3.4Å; R358-I369 HydrophobicContact CG-CD1 3.96Å; G365-I369 VanDerWaalsContact O-CG1 3.31Å; G365-I369 WeakPolarHBondContact O-CG1 3.49Å; G365-I369 PolarHBondContact O-N 2.96Å; R366-I369 WeakPolarHBondContact O-CB 3.41Å; R366-I369 PolarHBondContact O-N 3.27Å; I369-Y539 HydrophobicContact CD1-CD2 3.63Å; I369-Y539 HydrophobicContact CD1-CE2 3.87Å; I369-Y539 HydrophobicContact CD1-CG 4.45Å; I369-Y539 HydrophobicContact CG1-CD2 3.76Å; I369-Y539 HydrophobicContact CG1-CE2 4.46Å; I369-Y539 HydrophobicContact CG1-CG 4.16Å; I369-Y539 HydrophobicContact CG2-CD1 4.41Å; I369-Y539 HydrophobicContact CG2-CD2 4.29Å; I369-Y539 HydrophobicContact CG2-CG 4.1Å
370D90.3Very high86.5Confident92 Ų9258 Ų5849%0.49233%0.334SS..Hα-helixtrans-82.6-29.5-172.3-64.5-18.1000112.6R366 P372R366-D370 VanDerWaalsContact CD-OD2 3.29Å; R366-D370 WeakPolarHBondContact CD-OD2 3.43Å; R366-D370 IonicContact CZ-OD2 3.49Å; R366-D370 IonicContact NE-OD1 4Å; R366-D370 PolarHBondContact NE-OD1 2.82Å; R366-D370 IonicContact NE-OD2 3.72Å; R366-D370 PolarHBondContact NE-OD2 3Å; R366-D370 PolarHBondContact O-N 2.87Å; D370-P372 WeakPolarHBondContact O-CD 3.41Å
371N88.6Confident86.2Confident67 Ų6758.6 Ų58.636%0.35834%0.337SS..  trans-11656.9-179.1-58.9-63.2000114.6Y367 G373 E374Y367-N371 HydrophobicContact CE1-CB 4.38Å; Y367-N371 WeakPolarHBondContact O-CB 3.47Å; Y367-N371 PolarHBondContact O-N 3.48Å; Y367-N371 PolarHBondContact O-ND2 3.37Å; N371-G373 PolarHBondContact O-N 2.85Å; N371-E374 HydrophobicContact CB-CG 4.35Å; N371-E374 PolarHBondContact O-N 2.85Å
372P80.5Confident85.9Confident110 Ų11060.1 Ų60.171%0.71433%0.333SS*.THydrogen-bonded Turntrans-69.8-0.7-17331.8-38.8000115.2D370D370-P372 WeakPolarHBondContact O-CD 3.41Å
373G76.4Confident85.5Confident66 Ų6662.1 Ų62.168%0.6832%0.318SS*.THydrogen-bonded Turntrans-93.9-13.6176.700000114.6N371N371-G373 PolarHBondContact O-N 2.85Å
374E75.9Confident84.9Confident94 Ų9464.5 Ų64.544%0.43933%0.327SS..  trans-81.9150.8-175.6-67.5-161.8-172.400113.1Y367 N371Y367-E374 PolarHBondContact OH-OE2 3.08Å; N371-E374 HydrophobicContact CB-CG 4.35Å; N371-E374 PolarHBondContact O-N 2.85Å
375K79.2Confident84.4Confident136 Ų13667.3 Ų67.359%0.59134%0.344SS*.  trans-134.9-5.4-171.4-64.3-168.6177.3-170.80114.8E532 I533K375-E532 CarbonylContact O-C 3.53Å; K375-E532 WeakPolarHBondContact O-CA 3.28Å; K375-I533 PolarHBondContact O-N 2.73Å
376M84.1Confident83.7Confident111 Ų11172.5 Ų72.555%0.54737%0.366SS..EExtended strand (participates in β ladder)trans-128.2124.9-178.9-62.3-66.2-76.800106.4N530 E532M376-N530 WeakPolarHBondContact CE-OD1 3.2Å; M376-E532 HydrophobicContact SD-CB 3.98Å; M376-E532 HydrophobicContact SD-CG 3.85Å
377L85.8Confident82.7Confident19 Ų1972.3 Ų72.310%0.09937%0.367CS..EExtended strand (participates in β ladder)trans-140.1121.7-173.6-175.974000109.5F342 L364 Y367 L379 L531 I533F342-L377 HydrophobicContact CE1-CD2 4.47Å; L364-L377 HydrophobicContact CD1-CD2 3.5Å; Y367-L377 HydrophobicContact CD1-CD1 4.03Å; Y367-L377 HydrophobicContact CE1-CD1 3.75Å; L377-L379 HydrophobicContact CD2-CD1 3.59Å; L377-L379 HydrophobicContact CD2-CD2 4.08Å; L377-L379 HydrophobicContact CD2-CG 3.62Å; L377-L379 HydrophobicContact CG-CD1 4.41Å; L377-L379 HydrophobicContact CG-CD2 4.46Å; L377-L379 HydrophobicContact CG-CG 3.95Å; L377-L379 PolarHBondContact O-N 3Å; L377-L531 PolarHBondContact N-O 2.67Å; L377-L531 PolarHBondContact O-N 2.86Å; L377-I533 HydrophobicContact CB-CD1 4.17Å; L377-I533 HydrophobicContact CD2-CD1 4.19Å
378D82Confident81.4Confident114 Ų11475.9 Ų75.961%0.6139%0.387SS*.EExtended strand (participates in β ladder)trans-81.7111.5171-69.3-45.3000108.9T528 N530D378-T528 HydrophobicContact CB-CG2 4.43Å; D378-N530 VanDerWaalsContact OD1-CB 3.31Å; D378-N530 WeakPolarHBondContact OD1-CB 3.24Å; D378-N530 PolarHBondContact OD1-ND2 2.88Å
379L85.6Confident80.4Confident13 Ų1377.7 Ų77.77%0.06841%0.408CS..EExtended strand (participates in β ladder)trans-114.8134.7177.9-82.6177000112.1F342 L364 L377 I381 T528 E529 L531F342-L379 HydrophobicContact CD1-CD1 4.43Å; F342-L379 HydrophobicContact CE1-CD1 4.11Å; L364-L379 HydrophobicContact CD1-CD2 4.25Å; L364-L379 HydrophobicContact CD2-CD1 3.81Å; L364-L379 HydrophobicContact CD2-CD2 3.91Å; L377-L379 HydrophobicContact CD2-CD1 3.59Å; L377-L379 HydrophobicContact CD2-CD2 4.08Å; L377-L379 HydrophobicContact CD2-CG 3.62Å; L377-L379 HydrophobicContact CG-CD1 4.41Å; L377-L379 HydrophobicContact CG-CD2 4.46Å; L377-L379 HydrophobicContact CG-CG 3.95Å; L377-L379 PolarHBondContact O-N 3Å; L379-I381 PolarHBondContact O-N 2.8Å; L379-T528 WeakPolarHBondContact O-CA 3.32Å; L379-E529 PolarHBondContact N-O 3.34Å; L379-E529 PolarHBondContact O-N 2.77Å; L379-L531 HydrophobicContact CB-CD1 4.26Å; L379-L531 HydrophobicContact CD1-CD1 4.02Å
380E83.6Confident78.9Confident62 Ų6286.1 Ų86.129%0.2944%0.438SS..EExtended strand (participates in β ladder)trans-71.4119.8161.2-162.2-165.9156.700109.3R339 R382 S526R339-E380 PolarHBondContact NH2-O 3.45Å; E380-R382 VanDerWaalsContact CD-NE 3.3Å; E380-R382 HydrophobicContact CG-CG 4.4Å; E380-R382 WeakPolarHBondContact OE1-CG 3.44Å; E380-R382 IonicContact OE1-CZ 3.99Å; E380-R382 IonicContact OE1-NE 2.59Å; E380-R382 PolarHBondContact OE1-NE 3.01Å; E380-R382 IonicContact OE1-NH2 3.42Å; E380-R382 PolarHBondContact OE1-NH2 2.91Å; E380-R382 IonicContact OE2-CZ 2.77Å; E380-R382 IonicContact OE2-NE 2.67Å; E380-R382 PolarHBondContact OE2-NE 2.78Å; E380-R382 IonicContact OE2-NH2 3.36Å; E380-R382 PolarHBondContact OE2-NH2 3.49Å; E380-S526 WeakPolarHBondContact CG-OG 3.38Å; E380-S526 VanDerWaalsContact OE1-CB 3.3Å; E380-S526 WeakPolarHBondContact OE1-CB 3.27Å; E380-S526 PolarHBondContact OE1-OG 2.82Å
381I82.6Confident77.8Confident26 Ų2686.2 Ų86.213%0.13344%0.436CS..EExtended strand (participates in β ladder)trans-101.8109.1173-55-176.9000107.7I343 L379 S526 T527 E529I343-I381 HydrophobicContact CD1-CD1 4.26Å; I343-I381 HydrophobicContact CD1-CG1 4.02Å; I343-I381 HydrophobicContact CD1-CG2 4.32Å; I343-I381 HydrophobicContact CG2-CD1 4.02Å; L379-I381 PolarHBondContact O-N 2.8Å; I381-S526 WeakPolarHBondContact O-CA 3.38Å; I381-T527 PolarHBondContact N-O 3.1Å; I381-T527 PolarHBondContact O-N 3.27Å; I381-E529 HydrophobicContact CD1-CB 3.89Å; I381-E529 HydrophobicContact CD1-CG 3.9Å; I381-E529 WeakPolarHBondContact CD1-OE2 3.43Å
382R82.4Confident76.7Confident102 Ų10285.3 Ų85.339%0.38543%0.431SS..EExtended strand (participates in β ladder)trans-95.1128172.4-63.2-176.7-173.8153.415.5109.4E109 E380 T525E109-R382 IonicContact OE2-CZ 3.63Å; E109-R382 IonicContact OE2-NE 3.76Å; E109-R382 IonicContact OE2-NH1 3.42Å; E109-R382 PolarHBondContact OE2-NH1 2.88Å; E380-R382 VanDerWaalsContact CD-NE 3.3Å; E380-R382 HydrophobicContact CG-CG 4.4Å; E380-R382 WeakPolarHBondContact OE1-CG 3.44Å; E380-R382 IonicContact OE1-CZ 3.99Å; E380-R382 IonicContact OE1-NE 2.59Å; E380-R382 PolarHBondContact OE1-NE 3.01Å; E380-R382 IonicContact OE1-NH2 3.42Å; E380-R382 PolarHBondContact OE1-NH2 2.91Å; E380-R382 IonicContact OE2-CZ 2.77Å; E380-R382 IonicContact OE2-NE 2.67Å; E380-R382 PolarHBondContact OE2-NE 2.78Å; E380-R382 IonicContact OE2-NH2 3.36Å; E380-R382 PolarHBondContact OE2-NH2 3.49Å; R382-T525 WeakPolarHBondContact CA-O 3.49Å
383K77.5Confident75.9Confident124 Ų12486.3 Ų86.354%0.53943%0.426SS..EExtended strand (participates in β ladder)trans-141.7131.3-178.7-171.2171.3-172.6169.80111.8V385 C524 T525K383-V385 HydrophobicContact CG-CG2 4.23Å; K383-C524 WeakPolarHBondContact O-CA 3.35Å; K383-T525 PolarHBondContact N-O 3.37Å; K383-T525 PolarHBondContact O-N 3.07Å; K383-T525 PolarHBondContact O-OG1 3.15Å
384R79.5Confident75.7Confident59 Ų5988.7 Ų88.722%0.22342%0.419CS..EExtended strand (participates in β ladder)trans-80.6120.1169.8-171.1171.2-74.7-101.32.5109.8N106 N107 E109 D110 T522N106-R384 VanDerWaalsContact O-CZ 3.25Å; N106-R384 PolarHBondContact O-NE 3Å; N106-R384 PolarHBondContact O-NH2 2.86Å; N106-R384 VanDerWaalsContact O-NH2 3.16Å; N106-R384 PolarHBondContact OD1-NH2 3.32Å; N107-R384 WeakPolarHBondContact O-CB 3.25Å; E109-R384 PolarHBondContact O-NH2 3.47Å; D110-R384 IonicContact OD1-NH1 2.75Å; D110-R384 IonicContact OD1-NH2 2.74Å; D110-R384 PolarHBondContact OD1-NH2 3.21Å; D110-R384 VanDerWaalsContact OD1-NH2 3.17Å; R384-T522 WeakPolarHBondContact CD-OG1 3.46Å; R384-T522 VanDerWaalsContact CG-CB 3.49Å; R384-T522 HydrophobicContact CG-CG2 4.01Å; R384-T522 PolarHBondContact NH1-OG1 2.84Å
385V78.9Confident75.4Confident67 Ų6789.2 Ų89.241%0.40642%0.418SS..EExtended strand (participates in β ladder)trans-116.4144.7-178.8-174.60000109.4K383 T522 K523K383-V385 HydrophobicContact CG-CG2 4.23Å; V385-T522 CarbonylContact O-C 3.4Å; V385-T522 VanDerWaalsContact O-CA 3.25Å; V385-T522 WeakPolarHBondContact O-CA 3.39Å; V385-K523 PolarHBondContact N-O 2.84Å; V385-K523 PolarHBondContact O-N 3.11Å
386K76.8Confident75Confident110 Ų11087.4 Ų87.448%0.47841%0.414SS..EExtended strand (participates in β ladder)trans-72.4136.2176.1-65.7-173.2178.1-169.30109.8V520 T522K386-V520 HydrophobicContact CB-CG1 3.95Å; K386-V520 HydrophobicContact CD-CB 4.18Å; K386-V520 HydrophobicContact CD-CG1 4.4Å; K386-V520 HydrophobicContact CD-CG2 4.43Å; K386-V520 HydrophobicContact CG-CB 4.4Å; K386-V520 HydrophobicContact CG-CG1 4.36Å; K386-T522 HydrophobicContact CG-CG2 4.38Å
387L71.7Confident74.4Confident18 Ų1887 Ų879%0.09441%0.411CS..  trans-75.6128.7177.7-69.8-179.7000110.3E391 L392 Y395 P521 K523L387-E391 HydrophobicContact CD2-CB 3.89Å; L387-E391 VanDerWaalsContact CD2-OE2 3.31Å; L387-E391 WeakPolarHBondContact CD2-OE2 3.31Å; L387-L392 HydrophobicContact CB-CB 4.29Å; L387-Y395 HydrophobicContact CD1-CD2 4.46Å; L387-P521 HydrophobicContact CB-CB 4.37Å; L387-P521 VanDerWaalsContact CB-O 3.23Å; L387-P521 WeakPolarHBondContact CB-O 3.43Å; L387-P521 HydrophobicContact CD1-CB 3.88Å; L387-P521 HydrophobicContact CG-CB 4.45Å; L387-P521 WeakPolarHBondContact CG-O 3.45Å; L387-P521 PolarHBondContact N-O 2.9Å; L387-K523 HydrophobicContact CD2-CB 3.55Å; L387-K523 HydrophobicContact CD2-CD 3.75Å; L387-K523 HydrophobicContact CD2-CG 4.36Å; L387-K523 HydrophobicContact CG-CB 4.11Å
388E64.8Low73.9Confident164 Ų16492.4 Ų92.477%0.76643%0.434SS*.  trans-128.2149.9-179.8-64.4-173.9177.100110.5
389G69.3Low73.6Confident51 Ų5189.7 Ų89.753%0.52642%0.418SS..THydrogen-bonded Turntrans65.8-137-179.400000113.6E391 L392 E393G389-E391 PolarHBondContact O-N 3.06Å; G389-L392 WeakPolarHBondContact O-CB 3.41Å; G389-L392 PolarHBondContact O-N 3.02Å; G389-L392 VanDerWaalsContact O-N 3.12Å; G389-E393 PolarHBondContact O-N 2.95Å
390R61.9Low73.1Confident203 Ų20394.9 Ų94.977%0.76644%0.436SS*.Hα-helixtrans-64.5-32.9-169.3-71.1-177.5177.7170.5-0.7114.7L392 E393 E394R390-L392 PolarHBondContact O-N 3.34Å; R390-E393 PolarHBondContact O-N 3.4Å; R390-E394 PolarHBondContact O-N 3.03Å
391E65.9Low72.6Confident95 Ų9597.3 Ų97.344%0.44445%0.449SS..Hα-helixtrans-65.1-29.6177.5-62.2-158.8142.100111.5L387 G389 Y395 K523L387-E391 HydrophobicContact CD2-CB 3.89Å; L387-E391 VanDerWaalsContact CD2-OE2 3.31Å; L387-E391 WeakPolarHBondContact CD2-OE2 3.31Å; G389-E391 PolarHBondContact O-N 3.06Å; E391-Y395 VanDerWaalsContact O-CB 3.32Å; E391-Y395 WeakPolarHBondContact O-CB 3.4Å; E391-Y395 PolarHBondContact O-N 3.02Å; E391-Y395 VanDerWaalsContact O-N 3.07Å; E391-K523 IonicContact OE1-NZ 3.2Å; E391-K523 PolarHBondContact OE1-NZ 3.09Å; E391-K523 WeakPolarHBondContact OE2-CD 3.49Å; E391-K523 IonicContact OE2-NZ 3.85Å; E391-K523 PolarHBondContact OE2-NZ 3.44Å
392L67.1Low72.5Confident47 Ų47103.5 Ų103.525%0.24648%0.475CS..Hα-helixtrans-71.5-42.9172.9176.960.7000111.6L387 G389 R390 Y395 L396 P521L387-L392 HydrophobicContact CB-CB 4.29Å; G389-L392 WeakPolarHBondContact O-CB 3.41Å; G389-L392 PolarHBondContact O-N 3.02Å; G389-L392 VanDerWaalsContact O-N 3.12Å; R390-L392 PolarHBondContact O-N 3.34Å; L392-Y395 PolarHBondContact O-N 3.27Å; L392-L396 HydrophobicContact CD1-CD1 3.95Å; L392-L396 HydrophobicContact CD1-CG 4.12Å; L392-L396 HydrophobicContact CG-CD1 3.97Å; L392-L396 WeakPolarHBondContact O-CB 3.25Å; L392-L396 VanDerWaalsContact O-CG 3.26Å; L392-L396 WeakPolarHBondContact O-CG 3.45Å; L392-L396 PolarHBondContact O-N 2.57Å; L392-P521 HydrophobicContact CD1-CB 4.24Å; L392-P521 VanDerWaalsContact CD1-CD 3.45Å; L392-P521 HydrophobicContact CD1-CG 3.64Å
393E63.2Low72.1Confident132 Ų132104.4 Ų104.462%0.61748%0.481SS*.Hα-helixtrans-62.1-47.5176.7-64176.9143.300111.2G389 R390 Y395 L396 E397G389-E393 PolarHBondContact O-N 2.95Å; R390-E393 PolarHBondContact O-N 3.4Å; E393-Y395 PolarHBondContact O-N 3.13Å; E393-L396 PolarHBondContact O-N 2.86Å; E393-E397 WeakPolarHBondContact O-CB 3.13Å; E393-E397 PolarHBondContact O-N 2.79Å
394E72.1Confident72.1Confident115 Ų115102.4 Ų102.454%0.53747%0.474SS..Hα-helixtrans-62.9-37.9175.5-75.7-171.4-149.300113.1R390 K398R390-E394 PolarHBondContact O-N 3.03Å; E394-K398 WeakPolarHBondContact O-CB 3.15Å; E394-K398 WeakPolarHBondContact O-CG 3.29Å; E394-K398 PolarHBondContact O-N 2.67Å; E394-K398 IonicContact OE2-NZ 3.02Å
395Y69.8Low72.1Confident106 Ų106102.2 Ų102.242%0.41649%0.485SS..Hα-helixtrans-65.4-48175.3-177.9-81000110.9L387 E391 L392 E393 E397 K398 E399 P521L387-Y395 HydrophobicContact CD1-CD2 4.46Å; E391-Y395 VanDerWaalsContact O-CB 3.32Å; E391-Y395 WeakPolarHBondContact O-CB 3.4Å; E391-Y395 PolarHBondContact O-N 3.02Å; E391-Y395 VanDerWaalsContact O-N 3.07Å; L392-Y395 PolarHBondContact O-N 3.27Å; E393-Y395 PolarHBondContact O-N 3.13Å; Y395-E397 VanDerWaalsContact C-N 3.3Å; Y395-E397 PolarHBondContact O-N 2.61Å; Y395-K398 PolarHBondContact O-N 3.11Å; Y395-E399 HydrophobicContact CD1-CG 4.13Å; Y395-E399 HydrophobicContact CE1-CG 3.58Å; Y395-E399 WeakPolarHBondContact O-CB 3.5Å; Y395-E399 PolarHBondContact O-N 3.05Å; Y395-P521 HydrophobicContact CD1-CB 3.51Å; Y395-P521 HydrophobicContact CD1-CG 3.21Å; Y395-P521 HydrophobicContact CD2-CB 4.05Å; Y395-P521 HydrophobicContact CE1-CB 3.67Å; Y395-P521 HydrophobicContact CE1-CG 3.37Å; Y395-P521 HydrophobicContact CE2-CB 4.19Å; Y395-P521 HydrophobicContact CG-CB 3.71Å; Y395-P521 HydrophobicContact CG-CG 3.92Å
396L71Confident72.1Confident97 Ų97101.5 Ų101.551%0.50849%0.486SS..Hα-helixtrans-63.1-35.5179.5-72.7170.3000112.1L392 E393 E399 R400L392-L396 HydrophobicContact CD1-CD1 3.95Å; L392-L396 HydrophobicContact CD1-CG 4.12Å; L392-L396 HydrophobicContact CG-CD1 3.97Å; L392-L396 WeakPolarHBondContact O-CB 3.25Å; L392-L396 VanDerWaalsContact O-CG 3.26Å; L392-L396 WeakPolarHBondContact O-CG 3.45Å; L392-L396 PolarHBondContact O-N 2.57Å; E393-L396 PolarHBondContact O-N 2.86Å; L396-E399 PolarHBondContact O-N 2.97Å; L396-R400 WeakPolarHBondContact O-CB 3.38Å; L396-R400 PolarHBondContact O-N 2.98Å
397E71.8Confident72.1Confident103 Ų103102.8 Ų102.848%0.48149%0.492SS..Hα-helixtrans-72.5-38.4174.7-170.6141.8-111.600112.3E393 Y395 R400 M401E393-E397 WeakPolarHBondContact O-CB 3.13Å; E393-E397 PolarHBondContact O-N 2.79Å; Y395-E397 VanDerWaalsContact C-N 3.3Å; Y395-E397 PolarHBondContact O-N 2.61Å; E397-R400 PolarHBondContact O-N 3Å; E397-R400 IonicContact OE1-CZ 2.99Å; E397-R400 IonicContact OE1-NH1 2.9Å; E397-R400 PolarHBondContact OE1-NH1 2.74Å; E397-R400 IonicContact OE1-NH2 3.4Å; E397-R400 PolarHBondContact OE1-NH2 3.06Å; E397-M401 WeakPolarHBondContact O-CB 2.94Å; E397-M401 VanDerWaalsContact O-CG 3.26Å; E397-M401 WeakPolarHBondContact O-CG 3.42Å; E397-M401 PolarHBondContact O-N 2.89Å
398K75.1Confident72.4Confident133 Ų133107.8 Ų107.858%0.57851%0.513SS*.Hα-helixtrans-62.9-38.8169.9-77.4166.8-178.4154.10112.4E394 Y395 M401 K402E394-K398 WeakPolarHBondContact O-CB 3.15Å; E394-K398 WeakPolarHBondContact O-CG 3.29Å; E394-K398 PolarHBondContact O-N 2.67Å; E394-K398 IonicContact OE2-NZ 3.02Å; Y395-K398 PolarHBondContact O-N 3.11Å; K398-M401 PolarHBondContact O-N 2.75Å; K398-K402 WeakPolarHBondContact O-CB 3.37Å; K398-K402 PolarHBondContact O-N 3.36Å
399E76Confident72.9Confident57 Ų57104.6 Ų104.627%0.26650%0.501SS..Hα-helixtrans-63.7-43172.2-104-80.591.500111.9Y395 L396 K402 K403Y395-E399 HydrophobicContact CD1-CG 4.13Å; Y395-E399 HydrophobicContact CE1-CG 3.58Å; Y395-E399 WeakPolarHBondContact O-CB 3.5Å; Y395-E399 PolarHBondContact O-N 3.05Å; L396-E399 PolarHBondContact O-N 2.97Å; E399-K402 PolarHBondContact O-N 2.86Å; E399-K403 WeakPolarHBondContact O-CB 3.34Å; E399-K403 WeakPolarHBondContact O-CG 3.25Å; E399-K403 PolarHBondContact O-N 2.77Å; E399-K403 WeakPolarHBondContact OE2-CE 3.41Å; E399-K403 IonicContact OE2-NZ 3.62Å; E399-K403 PolarHBondContact OE2-NZ 2.88Å
400R74.4Confident73Confident121 Ų121108.1 Ų108.146%0.45750%0.503SS..Hα-helixtrans-62.5-47.1175-159.3-172.772.1-126-11.3110.6L396 E397 K402 K403 E404L396-R400 WeakPolarHBondContact O-CB 3.38Å; L396-R400 PolarHBondContact O-N 2.98Å; E397-R400 PolarHBondContact O-N 3Å; E397-R400 IonicContact OE1-CZ 2.99Å; E397-R400 IonicContact OE1-NH1 2.9Å; E397-R400 PolarHBondContact OE1-NH1 2.74Å; E397-R400 IonicContact OE1-NH2 3.4Å; E397-R400 PolarHBondContact OE1-NH2 3.06Å; R400-K402 PolarHBondContact O-N 3.32Å; R400-K403 PolarHBondContact O-N 2.79Å; R400-E404 WeakPolarHBondContact CD-OE1 3.33Å; R400-E404 VanDerWaalsContact CG-OE1 3.3Å; R400-E404 WeakPolarHBondContact CG-OE1 3.43Å; R400-E404 IonicContact NE-OE1 2.57Å; R400-E404 PolarHBondContact NE-OE1 3.26Å; R400-E404 WeakPolarHBondContact O-CB 3.2Å; R400-E404 WeakPolarHBondContact O-CG 3.09Å; R400-E404 PolarHBondContact O-N 2.92Å
401M73.4Confident73.3Confident113 Ų113104.3 Ų104.356%0.55749%0.494SS*.Hα-helixtrans-61.6-40.5176.1-69.8-69.2-73.300112.4E397 K398 E404 A405E397-M401 WeakPolarHBondContact O-CB 2.94Å; E397-M401 VanDerWaalsContact O-CG 3.26Å; E397-M401 WeakPolarHBondContact O-CG 3.42Å; E397-M401 PolarHBondContact O-N 2.89Å; K398-M401 PolarHBondContact O-N 2.75Å; M401-E404 PolarHBondContact O-N 2.98Å; M401-A405 VanDerWaalsContact O-CB 3.27Å; M401-A405 WeakPolarHBondContact O-CB 3.34Å; M401-A405 PolarHBondContact O-N 2.75Å
402K78.8Confident73.4Confident157 Ų157105.1 Ų105.168%0.68350%0.498SS*.Hα-helixtrans-62.6-43172.4-90-169.5171.9-173.30112.2K398 E399 R400 A405 A406K398-K402 WeakPolarHBondContact O-CB 3.37Å; K398-K402 PolarHBondContact O-N 3.36Å; E399-K402 PolarHBondContact O-N 2.86Å; R400-K402 PolarHBondContact O-N 3.32Å; K402-A405 PolarHBondContact O-N 2.95Å; K402-A406 VanDerWaalsContact O-CB 3.3Å; K402-A406 WeakPolarHBondContact O-CB 3.35Å; K402-A406 PolarHBondContact O-N 2.9Å
403K75.6Confident73.1Confident120 Ų120109.4 Ų109.452%0.52252%0.515SS..Hα-helixtrans-71.6-32.8179-74.8170.4-179.2167.60112.9E399 R400 K407E399-K403 WeakPolarHBondContact O-CB 3.34Å; E399-K403 WeakPolarHBondContact O-CG 3.25Å; E399-K403 PolarHBondContact O-N 2.77Å; E399-K403 WeakPolarHBondContact OE2-CE 3.41Å; E399-K403 IonicContact OE2-NZ 3.62Å; E399-K403 PolarHBondContact OE2-NZ 2.88Å; R400-K403 PolarHBondContact O-N 2.79Å; K403-K407 WeakPolarHBondContact O-CB 3.31Å; K403-K407 WeakPolarHBondContact O-CG 3.47Å; K403-K407 PolarHBondContact O-N 3.12Å; K403-K407 VanDerWaalsContact O-N 3.1Å
404E77.7Confident72.8Confident83 Ų83109.8 Ų109.839%0.38852%0.517SS..Hα-helixtrans-69.7-40170.8-73174.6-150.800111.4R400 M401 K408R400-E404 WeakPolarHBondContact CD-OE1 3.33Å; R400-E404 VanDerWaalsContact CG-OE1 3.3Å; R400-E404 WeakPolarHBondContact CG-OE1 3.43Å; R400-E404 IonicContact NE-OE1 2.57Å; R400-E404 PolarHBondContact NE-OE1 3.26Å; R400-E404 WeakPolarHBondContact O-CB 3.2Å; R400-E404 WeakPolarHBondContact O-CG 3.09Å; R400-E404 PolarHBondContact O-N 2.92Å; M401-E404 PolarHBondContact O-N 2.98Å; E404-K408 WeakPolarHBondContact O-CG 3.41Å; E404-K408 PolarHBondContact O-N 2.99Å
405A78.3Confident72.2Confident55 Ų55109 Ų10946%0.45552%0.519SS..Hα-helixtrans-67.9-43.5174.600000112.6M401 K402 K407 K408 L409M401-A405 VanDerWaalsContact O-CB 3.27Å; M401-A405 WeakPolarHBondContact O-CB 3.34Å; M401-A405 PolarHBondContact O-N 2.75Å; K402-A405 PolarHBondContact O-N 2.95Å; A405-K407 PolarHBondContact O-N 3.09Å; A405-K408 PolarHBondContact O-N 2.87Å; A405-L409 PolarHBondContact O-N 2.95Å
406A78.3Confident71.3Confident52 Ų52109.7 Ų109.743%0.4353%0.53SS..Hα-helixtrans-60.9-4417600000111.4K402 K408 L409 E410K402-A406 VanDerWaalsContact O-CB 3.3Å; K402-A406 WeakPolarHBondContact O-CB 3.35Å; K402-A406 PolarHBondContact O-N 2.9Å; A406-K408 PolarHBondContact O-N 3.35Å; A406-L409 CarbonylContact O-C 3.59Å; A406-L409 WeakPolarHBondContact O-CB 3.39Å; A406-L409 PolarHBondContact O-N 3.49Å; A406-E410 WeakPolarHBondContact O-CG 3.34Å; A406-E410 PolarHBondContact O-N 3.07Å
407K78.2Confident70.3Confident136 Ų136110 Ų11059%0.59154%0.536SS*.Hα-helixtrans-62.9-37.8173.6-80.7-179.4171.4-172.70113.6K403 A405 L409 E410 Q411K403-K407 WeakPolarHBondContact O-CB 3.31Å; K403-K407 WeakPolarHBondContact O-CG 3.47Å; K403-K407 PolarHBondContact O-N 3.12Å; K403-K407 VanDerWaalsContact O-N 3.1Å; A405-K407 PolarHBondContact O-N 3.09Å; K407-L409 VanDerWaalsContact C-N 3.33Å; K407-E410 PolarHBondContact O-N 3.2Å; K407-Q411 WeakPolarHBondContact O-CB 3.37Å; K407-Q411 VanDerWaalsContact O-CG 3.29Å; K407-Q411 WeakPolarHBondContact O-CG 3.31Å; K407-Q411 PolarHBondContact O-N 2.76Å
408K77.6Confident69Low124 Ų124112.4 Ų112.454%0.53955%0.552SS.*Hα-helixtrans-63.6-42.1172.9-76.9175.2178.1-179.50111E404 A405 A406 E410 Q411 E412E404-K408 WeakPolarHBondContact O-CG 3.41Å; E404-K408 PolarHBondContact O-N 2.99Å; A405-K408 PolarHBondContact O-N 2.87Å; A406-K408 PolarHBondContact O-N 3.35Å; K408-E410 VanDerWaalsContact C-N 3.33Å; K408-E410 PolarHBondContact O-N 2.82Å; K408-Q411 CarbonylContact O-C 3.51Å; K408-Q411 PolarHBondContact O-N 3.42Å; K408-E412 WeakPolarHBondContact O-CB 3.46Å; K408-E412 VanDerWaalsContact O-CG 3.24Å; K408-E412 WeakPolarHBondContact O-CG 3.47Å; K408-E412 PolarHBondContact O-N 2.84Å
409L74.5Confident67.5Low97 Ų97110.8 Ų110.851%0.50856%0.558SS.*Hα-helixtrans-67.8-31.2176.8-156.678.4000112.9A405 A406 K407 K413A405-L409 PolarHBondContact O-N 2.95Å; A406-L409 CarbonylContact O-C 3.59Å; A406-L409 WeakPolarHBondContact O-CB 3.39Å; A406-L409 PolarHBondContact O-N 3.49Å; K407-L409 VanDerWaalsContact C-N 3.33Å; L409-K413 WeakPolarHBondContact O-CB 3.49Å; L409-K413 VanDerWaalsContact O-CG 3.27Å; L409-K413 WeakPolarHBondContact O-CG 3.41Å; L409-K413 PolarHBondContact O-N 3.01Å
410E72.2Confident66Low125 Ų125112.4 Ų112.458%0.58458%0.575SS**Hα-helixtrans-67.6-46.7168.7-73176.4140.400110.9A406 K407 K408 K413 E414A406-E410 WeakPolarHBondContact O-CG 3.34Å; A406-E410 PolarHBondContact O-N 3.07Å; K407-E410 PolarHBondContact O-N 3.2Å; K408-E410 VanDerWaalsContact C-N 3.33Å; K408-E410 PolarHBondContact O-N 2.82Å; E410-K413 CarbonylContact O-C 3.56Å; E410-K413 PolarHBondContact O-N 3.49Å; E410-E414 PolarHBondContact O-N 3.07Å
411Q68Low64.4Low122 Ų122113.8 Ų113.857%0.5759%0.591SS**Hα-helixtrans-66.9-37.3178.6-72.3-176.6-5300113.2K407 K408 K413 E414 V415K407-Q411 WeakPolarHBondContact O-CB 3.37Å; K407-Q411 VanDerWaalsContact O-CG 3.29Å; K407-Q411 WeakPolarHBondContact O-CG 3.31Å; K407-Q411 PolarHBondContact O-N 2.76Å; K408-Q411 CarbonylContact O-C 3.51Å; K408-Q411 PolarHBondContact O-N 3.42Å; Q411-K413 VanDerWaalsContact C-N 3.32Å; Q411-E414 PolarHBondContact O-N 3.33Å; Q411-V415 VanDerWaalsContact O-CG2 3.31Å; Q411-V415 WeakPolarHBondContact O-CG2 3.31Å; Q411-V415 PolarHBondContact O-N 2.92Å
412E67.3Low62.6Low112 Ų112117.1 Ų117.152%0.52361%0.606SS.*Hα-helixtrans-63.2-39.9173-74.8161.4-178.200110.3K408 V415 D416K408-E412 WeakPolarHBondContact O-CB 3.46Å; K408-E412 VanDerWaalsContact O-CG 3.24Å; K408-E412 WeakPolarHBondContact O-CG 3.47Å; K408-E412 PolarHBondContact O-N 2.84Å; E412-V415 PolarHBondContact O-N 2.77Å; E412-D416 PolarHBondContact O-N 2.7Å
413K62Low60.5Low138 Ų138115 Ų11560%0.661%0.611SS**Hα-helixtrans-70.1-31172.9-76.5177.8177.7-174.30114.5L409 E410 Q411 V417L409-K413 WeakPolarHBondContact O-CB 3.49Å; L409-K413 VanDerWaalsContact O-CG 3.27Å; L409-K413 WeakPolarHBondContact O-CG 3.41Å; L409-K413 PolarHBondContact O-N 3.01Å; E410-K413 CarbonylContact O-C 3.56Å; E410-K413 PolarHBondContact O-N 3.49Å; Q411-K413 VanDerWaalsContact C-N 3.32Å; K413-V417 WeakPolarHBondContact O-CG2 3.24Å
414E57.5Low58.6Low140 Ų140116.8 Ų116.865%0.65463%0.626SS**Hα-helixtrans-68.9-38.3171.4-73.5-17814900110.9E410 Q411 D418E410-E414 PolarHBondContact O-N 3.07Å; Q411-E414 PolarHBondContact O-N 3.33Å; E414-D418 PolarHBondContact O-N 3.1Å
415V57.6Low56.4Low98 Ų98121.9 Ų121.959%0.59465%0.652SS**Hα-helixtrans-72.6-38.8178.5170.90000113Q411 E412 V417 D418 S419Q411-V415 VanDerWaalsContact O-CG2 3.31Å; Q411-V415 WeakPolarHBondContact O-CG2 3.31Å; Q411-V415 PolarHBondContact O-N 2.92Å; E412-V415 PolarHBondContact O-N 2.77Å; V415-V417 PolarHBondContact O-N 3.4Å; V415-D418 PolarHBondContact O-N 2.89Å; V415-S419 PolarHBondContact O-N 3.08Å; V415-S419 VanDerWaalsContact O-N 3.1Å
416D51.8Low54.3Low121 Ų121128.4 Ų128.465%0.64767%0.673SS**Hα-helixtrans-62.6-28.7176-87.6-16.6000112.6E412E412-D416 PolarHBondContact O-N 2.7Å
417V49.8Very low52Low103 Ų103133.5 Ų133.562%0.62469%0.693SS**Hα-helixtrans-74.2-45.4175.1172.60000110.9K413 V415 S419 S420K413-V417 WeakPolarHBondContact O-CG2 3.24Å; V415-V417 PolarHBondContact O-N 3.4Å; V417-S419 PolarHBondContact O-N 3.34Å; V417-S420 PolarHBondContact O-N 2.81Å; V417-S420 PolarHBondContact O-OG 2.67Å
418D45.3Very low49.8Very low153 Ų153133.1 Ų133.182%0.81870%0.698SS**Hα-helixtrans-66.5-16.7178.9-129.832.7000112.6E414 V415 S420E414-D418 PolarHBondContact O-N 3.1Å; V415-D418 PolarHBondContact O-N 2.89Å; D418-S420 VanDerWaalsContact C-N 3.34Å
419S44Very low47.7Very low100 Ų100134.4 Ų134.470%0.69971%0.71SS**THydrogen-bonded Turntrans-86.87.1176.9-1700000114.6V415 V417V415-S419 PolarHBondContact O-N 3.08Å; V415-S419 VanDerWaalsContact O-N 3.1Å; V417-S419 PolarHBondContact O-N 3.34Å
420S43.5Very low45.6Very low91 Ų91137.5 Ų137.564%0.63672%0.722SS**SBendtrans-115.63.1-167.669.80000117V417 D418V417-S420 PolarHBondContact O-N 2.81Å; V417-S420 PolarHBondContact O-OG 2.67Å; D418-S420 VanDerWaalsContact C-N 3.34Å
421D40.1Very low43.5Very low149 Ų149138.9 Ų138.980%0.79773%0.732SS**SBendtrans-136.446.2-171.8-15822.3000113.9
422E36.4Very low42.2Very low183 Ų183138.8 Ų138.886%0.85574%0.742SS**  trans-141.386170-85.3-67.5-176.900110.9
423S34.6Very low40.6Very low114 Ų114138.3 Ų138.380%0.79776%0.757SS**  trans-153.963.1170.975.40000114.2
424D36.4Very low39Very low156 Ų156138.1 Ų138.183%0.83477%0.767SS**  trans-159.3127.9158.5-114.6-18.2000110.9
425M31.5Very low37.7Very low190 Ų190138 Ų13894%0.93678%0.776SS**  trans159.3136.6154.2-86.2-80.817300109.8
426E33.9Very low36.6Very low192 Ų192142.7 Ų142.790%0.89779%0.788SS**  trans-106.1147.9-177.7-62.8-176.9122.800113.5
427D30.2Very low35.5Very low159 Ų159143.6 Ų143.685%0.8580%0.798SS**  trans80.3150.1143.2-132-2.7000124.2
428D32.5Very low34.7Very low128 Ų128146.2 Ų146.268%0.68480%0.801SS**  trans84.5131.1152.6-126.8-1.1000124.8
429L32Very low34.1Very low151 Ų151146.5 Ų146.579%0.79180%0.798SS**  trans78.7155.8158-72.5158.8000123.6
430E32Very low33.5Very low163 Ų163148.6 Ų148.676%0.76280%0.796SS**  trans-118.8142.3-148.7-56.5-178.2113.500116.8
431L27.9Very low32.8Very low154 Ų154149.9 Ų149.981%0.80680%0.796SS**  trans58.2163.1140.2-65.7170.4000121.4
432P40.2Very low32.4Very low120 Ų120150 Ų15078%0.77980%0.795SS**  cis-128.1-178.6-30.135.2-16.7000113.5
433A33Very low32.1Very low102 Ų102149.1 Ų149.184%0.84379%0.793SS**  trans-82.5153.2-168.200000117.9
434V30Very low32Very low133 Ų133153.2 Ų153.281%0.80680%0.802SS**  trans-138.5113.8168.1-178.70000114
435V30.2Very low31.8Very low139 Ų139155.5 Ų155.584%0.84281%0.805SS**  trans34.6139.8139.6-168.70000123.1
436K33.1Very low31.7Very low196 Ų196149.6 Ų149.685%0.85279%0.792SS**  trans-73.2140177.4-51.7159.9178.2171.30116.2
437T29.3Very low31.4Very low139 Ų139148.3 Ų148.385%0.85379%0.792SS**  trans-167.1126.8139.7350000107.4
438K32.5Very low31.5Very low159 Ų159144 Ų14469%0.69179%0.785SS**  cis92.6117.127.8-151.8-165.2-171.8-153.90114.4
439H33Very low31.5Very low159 Ų159145.2 Ų145.274%0.73680%0.796SS**  trans72.9148.7173.7-60.5-45.5000116
440H30.6Very low31.7Very low144 Ų144149.4 Ų149.467%0.66780%0.802SS**  cis-166.3160-4.1-108.7-45.3000106
441D30.4Very low31.7Very low118 Ų118151.5 Ų151.563%0.63181%0.809SS**  cis-166-146.2-9.1-155.481.2000109.2
442L31.1Very low32Very low151 Ų151147.9 Ų147.979%0.79181%0.808SS**  trans8269.3159.9-74.1158.5000120.6
443M29.9Very low31.7Very low165 Ų165147.7 Ų147.781%0.81381%0.81SS**  32.7130.4125.4-55.2-176.3-17200122
444M32.9Very low31.8Very low199 Ų199152.9 Ų152.998%0.9881%0.814SS**  -154.7172.6112.5-118.9-170.4-178.200113.8
445K31.1Very low32Very low205 Ų205155.9 Ų155.989%0.89182%0.816SS**  trans-94.7163.4-171.1-77180166.8-173.30114.1
446G29.3Very low32.7Very low65 Ų65159.2 Ų159.267%0.6782%0.819SS**  trans13888.8158.900000111.2
447D29.3Very low32.8Very low166 Ų166159.2 Ų159.289%0.88882%0.822SS**  70.1135.979.6-74.3-52.1000115
448G31.2Very low33Very low69 Ų69157.1 Ų157.171%0.71182%0.819SS**  trans104.352.3156.900000118.8R450G448-R450 PolarHBondContact O-N 2.89Å; G448-R450 VanDerWaalsContact O-N 3.09Å
449V32.8Very low33.5Very low152 Ų152159.6 Ų159.692%0.92183%0.83SS**  trans-61.1111.6164.3177.80000109.9
450R35.4Very low33.7Very low239 Ų239161.4 Ų161.490%0.90284%0.836SS**PPolyproline II helixtrans-99.4131.9167.1-75.6-173.6172.1-173.3-2.3109.7G448 G452G448-R450 PolarHBondContact O-N 2.89Å; G448-R450 VanDerWaalsContact O-N 3.09Å; R450-G452 PolarHBondContact O-N 2.86Å
451K33.3Very low34.1Very low208 Ų208159.9 Ų159.990%0.90484%0.841SS**PPolyproline II helixtrans-63.5131.1175.6-66.1-179.2176.2-176.60110.4
452G32.6Very low34.6Very low78 Ų78164.6 Ų164.680%0.80485%0.852SS**PPolyproline II helixtrans-74.6140.2163.600000110.5R450R450-G452 PolarHBondContact O-N 2.86Å
453S34.6Very low35.2Very low115 Ų115163 Ų16380%0.80485%0.851SS**PPolyproline II helixtrans-97.9147.1174.7-168.50000110.8F455S453-F455 PolarHBondContact O-N 3.45Å
454F35Very low35.7Very low211 Ų211163.4 Ų163.493%0.92585%0.853SS**  trans-74.882.9-177.8-99.3-106.1000112
455F33.9Very low36Very low196 Ų196161.8 Ų161.886%0.8684%0.84SS**  trans-136.3124.8162.1-108.8-88.8000111.8S453S453-F455 PolarHBondContact O-N 3.45Å
456K46.3Very low36.6Very low209 Ų209158.1 Ų158.191%0.90984%0.838SS**  trans-72.3125.1-177.4-66.7175177.8174.70110.8
457Q33.4Very low37.3Very low196 Ų196160.9 Ų160.992%0.91684%0.842SS**  trans-133.2156.9159.2-80.3-161.1-11.600112.2
458A34Very low38.5Very low96 Ų96161.6 Ų161.679%0.79384%0.839SS**  trans-62.4158-15800000116.5K460A458-K460 PolarHBondContact O-N 3.25Å
459K42.6Very low39.4Very low210 Ų210165.9 Ų165.991%0.91384%0.841SS**  trans-39121.1171.9-61.4176.5177-176.90112.5
460K37.5Very low40.3Very low197 Ų197167.4 Ų167.486%0.85784%0.838SS**  trans-93.8110.7157.2-79.8-174.8174.5179.30108.9A458A458-K460 PolarHBondContact O-N 3.25Å
461S39Very low41.1Very low112 Ų112166 Ų16678%0.78383%0.833SS**PPolyproline II helixtrans-72.1133.6162.140.30000109.4
462Y41.8Very low42.4Very low217 Ų217160.9 Ų160.985%0.85182%0.818SS**PPolyproline II helixtrans-75128.5169.2-71.1-84.4000109.6
463P42.2Very low43.4Very low119 Ų119164.3 Ų164.377%0.77381%0.811SS**PPolyproline II helixtrans-70.4138.6175.128.8-33.4000110.7F465P463-F465 PolarHBondContact O-N 2.89Å
464M40.8Very low44.7Very low173 Ų173166.4 Ų166.485%0.85280%0.801SS**SBendtrans-83-2.3-160.3-154.5177.7-70.200115.5
465F39.6Very low46.1Very low164 Ų164159.4 Ų159.472%0.71977%0.774SS**SBendtrans-143142.8-179.3-73.6-80000112.7P463 T467P463-F465 PolarHBondContact O-N 2.89Å; F465-T467 PolarHBondContact O-N 2.69Å; F465-T467 VanDerWaalsContact O-N 3.14Å
466P44.3Very low47.1Very low129 Ų129159.2 Ų159.284%0.83878%0.775SS**  trans-80.892.8-179.332.6-34.4000111.8
467T43.7Very low47.7Very low122 Ų122159.5 Ų159.575%0.74877%0.773SS**  trans-96.2119.4168.1-530000109.4F465F465-T467 PolarHBondContact O-N 2.69Å; F465-T467 VanDerWaalsContact O-N 3.14Å
468H55Low49.1Very low182 Ų182152.9 Ų152.984%0.84376%0.756SS**  trans-83.4112.3170.5-105-91.8000109.8E470H468-E470 PolarHBondContact O-N 2.83Å
469E49.1Very low50.5Low159 Ų159155.4 Ų155.474%0.74375%0.752SS**  trans-78106.2169.7-68.3-174.8161.100110.4R471E469-R471 PolarHBondContact O-N 2.79Å
470E52.6Low51.6Low183 Ų183151.7 Ų151.786%0.85574%0.741SS**  trans-76.8110.5167.5-69.3-158.8139.800110.4H468 V472H468-E470 PolarHBondContact O-N 2.83Å; E470-V472 PolarHBondContact O-N 2.79Å
471R52.6Low52.6Low210 Ų210146 Ų14679%0.79272%0.719SS**  trans-76106.7175.7-67.1-174.8177.4-167.8-2.5110.7E469E469-R471 PolarHBondContact O-N 2.79Å
472V59.4Low53.6Low100 Ų100147.1 Ų147.161%0.60671%0.706SS**  trans-58.1138.4170.1-173.40000109.6E470 W474E470-V472 PolarHBondContact O-N 2.79Å; V472-W474 HydrophobicContact CG1-CD2 4.09Å; V472-W474 HydrophobicContact CG1-CG 4.08Å; V472-W474 HydrophobicContact CG1-CZ2 4.28Å
473K54.6Low54.3Low150 Ų150142 Ų14265%0.65270%0.699SS**  trans-1076.4-172.4-64.5-173.9179.1179.50114.4I480 I481K473-I480 WeakPolarHBondContact O-CA 3.36Å; K473-I481 PolarHBondContact O-N 3.46Å
474W60.8Low55.1Low159 Ų159142.7 Ų142.760%0.60269%0.692SS**BIsolated β-bridgetrans-139.6154.9-174.749.975.7000110.3V472 E479V472-W474 HydrophobicContact CG1-CD2 4.09Å; V472-W474 HydrophobicContact CG1-CG 4.08Å; V472-W474 HydrophobicContact CG1-CZ2 4.28Å; W474-E479 CarbonylContact C-O 3.58Å; W474-E479 WeakPolarHBondContact CA-O 3.39Å; W474-E479 WeakPolarHBondContact CB-O 3.38Å
475D64.3Low55.9Low64 Ų64139.8 Ų139.834%0.34268%0.68SS.*  trans-86.9-175.1177.372.73000112.7Y477 G478 E479 I481D475-Y477 PolarHBondContact O-N 3.11Å; D475-Y477 WeakPolarHBondContact OD1-CA 3.43Å; D475-Y477 PolarHBondContact OD1-N 3.42Å; D475-G478 PolarHBondContact O-N 2.95Å; D475-G478 PolarHBondContact OD1-N 3.15Å; D475-E479 PolarHBondContact N-O 3.31Å; D475-E479 PolarHBondContact OD1-N 2.96Å; D475-I481 HydrophobicContact CB-CD1 4.11Å; D475-I481 HydrophobicContact CB-CG1 4.02Å
476E55.1Low56.6Low192 Ų192139.3 Ų139.390%0.89768%0.678SS**THydrogen-bonded Turntrans-71.8-7.9179.7-61.2-169.9151.300114
477Y60.3Low56.9Low216 Ų216138.7 Ų138.785%0.84767%0.667SS**THydrogen-bonded Turntrans-108.4-9.2177.5-68.8-86.1000113.2D475D475-Y477 PolarHBondContact O-N 3.11Å; D475-Y477 WeakPolarHBondContact OD1-CA 3.43Å; D475-Y477 PolarHBondContact OD1-N 3.42Å
478G62.3Low57Low56 Ų56137 Ų13758%0.57766%0.656SS**SBendtrans100.910.1170.600000115.2D475D475-G478 PolarHBondContact O-N 2.95Å; D475-G478 PolarHBondContact OD1-N 3.15Å
479E62.1Low56.7Low150 Ų150132.9 Ų132.970%0.70165%0.646SS**  trans-86.5150.4173.9-62.8-153.715600111.5W474 D475 I481W474-E479 CarbonylContact C-O 3.58Å; W474-E479 WeakPolarHBondContact CA-O 3.39Å; W474-E479 WeakPolarHBondContact CB-O 3.38Å; D475-E479 PolarHBondContact N-O 3.31Å; D475-E479 PolarHBondContact OD1-N 2.96Å; E479-I481 PolarHBondContact O-N 2.98Å
480I65.9Low56.4Low131 Ų131133.3 Ų133.367%0.67265%0.648SS**BIsolated β-bridgetrans-77.3116.7-177-61.5174.8000108.8K473 R482K473-I480 WeakPolarHBondContact O-CA 3.36Å; I480-R482 PolarHBondContact O-N 2.66Å
481I58.1Low56.2Low78 Ų78130.1 Ų130.140%0.464%0.636SS.*  trans-68.7104.8178.6-57.7172.4000108.6K473 D475 E479 F486K473-I481 PolarHBondContact O-N 3.46Å; D475-I481 HydrophobicContact CB-CD1 4.11Å; D475-I481 HydrophobicContact CB-CG1 4.02Å; E479-I481 PolarHBondContact O-N 2.98Å; I481-F486 HydrophobicContact CG2-CD2 4.46Å; I481-F486 HydrophobicContact CG2-CE2 4.13Å
482R61.2Low55.7Low136 Ų136127.1 Ų127.151%0.51363%0.631SS.*  trans-88.5122.5169-38.4-171.9-168.6-129-2.1108.9I480 E484 D485I480-R482 PolarHBondContact O-N 2.66Å; R482-E484 HydrophobicContact CB-CG 3.67Å; R482-E484 PolarHBondContact O-N 2.87Å; R482-E484 VanDerWaalsContact O-N 3.12Å; R482-D485 WeakPolarHBondContact CB-OD2 3.26Å; R482-D485 VanDerWaalsContact CD-OD2 3.23Å; R482-D485 WeakPolarHBondContact CD-OD2 3.45Å; R482-D485 WeakPolarHBondContact CG-OD2 3.35Å; R482-D485 IonicContact NE-OD2 2.74Å; R482-D485 PolarHBondContact O-N 2.8Å
483P57Low54.8Low109 Ų109125.2 Ų125.271%0.70863%0.626SS**THydrogen-bonded Turntrans-62.2-20.1178.4-24.435.1000114
484E58.3Low54.5Low133 Ų133121.6 Ų121.662%0.62162%0.616SS**THydrogen-bonded Turntrans-71.4-31178.255.8-159.8158.700113.7R482 F486R482-E484 HydrophobicContact CB-CG 3.67Å; R482-E484 PolarHBondContact O-N 2.87Å; R482-E484 VanDerWaalsContact O-N 3.12Å; E484-F486 VanDerWaalsContact C-N 3.31Å; E484-F486 PolarHBondContact O-N 3.04Å
485D58Low53.8Low113 Ų113120.4 Ų120.460%0.60462%0.618SS**THydrogen-bonded Turntrans-78.8-12.7-177.6-65.6-35.4000113.5R482R482-D485 WeakPolarHBondContact CB-OD2 3.26Å; R482-D485 VanDerWaalsContact CD-OD2 3.23Å; R482-D485 WeakPolarHBondContact CD-OD2 3.45Å; R482-D485 WeakPolarHBondContact CG-OD2 3.35Å; R482-D485 IonicContact NE-OD2 2.74Å; R482-D485 PolarHBondContact O-N 2.8Å
486F53.3Low52.7Low154 Ų154123.8 Ų123.868%0.67563%0.631SS**THydrogen-bonded Turntrans-104.58.4-177.9-68.8-88.4000113.9I481 E484 V488I481-F486 HydrophobicContact CG2-CD2 4.46Å; I481-F486 HydrophobicContact CG2-CE2 4.13Å; E484-F486 VanDerWaalsContact C-N 3.31Å; E484-F486 PolarHBondContact O-N 3.04Å; F486-V488 PolarHBondContact O-N 3.18Å
487L51.1Low52Low115 Ų115120.9 Ų120.960%0.60262%0.618SS**  trans-81.3112173.6-78.9164.3000110.7
488V46.8Very low51.1Low86 Ų86116 Ų11652%0.52160%0.601SS.*  trans-65.9128.7179.2-178.30000110.3F486 E490 L491F486-V488 PolarHBondContact O-N 3.18Å; V488-E490 HydrophobicContact CG1-CB 4.47Å; V488-E490 PolarHBondContact O-N 3.16Å; V488-L491 PolarHBondContact O-N 3.16Å
489P47.2Very low50Low97 Ų97118.4 Ų118.463%0.6360%0.601SS**G310 helixtrans-58.5-19.1-173.7-3036.7000116.8L491 Q492P489-L491 PolarHBondContact O-N 3.23Å; P489-L491 VanDerWaalsContact O-N 3.13Å; P489-Q492 PolarHBondContact O-N 3.27Å
490E44.2Very low48.8Very low168 Ų168117.6 Ų117.679%0.78560%0.595SS**G310 helixtrans-64.2-13.1175.2-65.2-177.2133.700113.2V488V488-E490 HydrophobicContact CG1-CB 4.47Å; V488-E490 PolarHBondContact O-N 3.16Å
491L47.3Very low47.4Very low116 Ų116115.8 Ų115.861%0.60759%0.586SS**G310 helixtrans-91.90.2171.1-70.4168.7000114.5V488 P489 T494V488-L491 PolarHBondContact O-N 3.16Å; P489-L491 PolarHBondContact O-N 3.23Å; P489-L491 VanDerWaalsContact O-N 3.13Å; L491-T494 PolarHBondContact O-OG1 2.93Å
492Q43.2Very low46.4Very low146 Ų146118.2 Ų118.268%0.68260%0.595SS**THydrogen-bonded Turntrans-91.4-26.2172.4-71.6-174.1-19.200113P489 T494 E495P489-Q492 PolarHBondContact O-N 3.27Å; Q492-T494 PolarHBondContact O-N 3.41Å; Q492-E495 PolarHBondContact O-N 3.05Å
493A39.3Very low45.2Very low61 Ų61116 Ų11650%0.50460%0.601SS.*Hα-helixtrans-58.1-32.5174.100000112.3E495 E497A493-E495 VanDerWaalsContact C-N 3.25Å; A493-E495 PolarHBondContact O-N 3.5Å; A493-E497 PolarHBondContact O-N 2.8Å
494T49Very low44.1Very low73 Ų73112.8 Ų112.845%0.44859%0.588SS.*Hα-helixtrans-69.3-9.1-179.837.50000115.5L491 Q492 K498L491-T494 PolarHBondContact O-OG1 2.93Å; Q492-T494 PolarHBondContact O-N 3.41Å; T494-K498 WeakPolarHBondContact O-CB 3.23Å; T494-K498 WeakPolarHBondContact O-CG 3.33Å; T494-K498 PolarHBondContact O-N 3.14Å
495E44.9Very low42.9Very low135 Ų135113.4 Ų113.463%0.63159%0.592SS**Hα-helixtrans-96.2-33.6175.4-67.8-154.5142.900114.1Q492 A493 N499Q492-E495 PolarHBondContact O-N 3.05Å; A493-E495 VanDerWaalsContact C-N 3.25Å; A493-E495 PolarHBondContact O-N 3.5Å; E495-N499 PolarHBondContact O-N 3.28Å; E495-N499 PolarHBondContact O-ND2 2.94Å
496E41.4Very low41.9Very low135 Ų135111.3 Ų111.363%0.63159%0.591SS**Hα-helixtrans-72.7-36.2169.5-82.9-144.617300112.1N499 K500E496-N499 PolarHBondContact O-N 3.05Å; E496-K500 PolarHBondContact O-N 3.28Å; E496-K500 IonicContact OE2-NZ 3.26Å; E496-K500 PolarHBondContact OE2-NZ 3.33Å
497E41Very low41.3Very low131 Ų131111.1 Ų111.161%0.61260%0.597SS**Hα-helixtrans-69.4-37.1171.4-69.2-159.2143.200111.4A493 K500 L501A493-E497 PolarHBondContact O-N 2.8Å; E497-K500 CarbonylContact O-C 3.6Å; E497-K500 PolarHBondContact O-N 3.15Å; E497-L501 WeakPolarHBondContact O-CB 3.43Å; E497-L501 WeakPolarHBondContact O-CD1 3.27Å; E497-L501 VanDerWaalsContact O-CG 3.22Å; E497-L501 WeakPolarHBondContact O-CG 3.42Å; E497-L501 PolarHBondContact O-N 3.42Å
498K40.9Very low40.9Very low113 Ų113108.7 Ų108.749%0.49160%0.599SS.*Hα-helixtrans-58.8-49.2169.9-103.1-169.4158-128.10112.6T494 K500 L501 E502T494-K498 WeakPolarHBondContact O-CB 3.23Å; T494-K498 WeakPolarHBondContact O-CG 3.33Å; T494-K498 PolarHBondContact O-N 3.14Å; K498-K500 VanDerWaalsContact C-N 3.25Å; K498-K500 PolarHBondContact O-N 3.29Å; K498-L501 PolarHBondContact O-N 2.87Å; K498-L501 VanDerWaalsContact O-N 3.11Å; K498-E502 IonicContact NZ-OE1 3.55Å; K498-E502 PolarHBondContact NZ-OE1 3.3Å; K498-E502 WeakPolarHBondContact O-CB 3.37Å; K498-E502 WeakPolarHBondContact O-CG 3.25Å; K498-E502 PolarHBondContact O-N 3.44Å
499N39.3Very low40.2Very low107 Ų107112.2 Ų112.257%0.57262%0.615SS**Hα-helixtrans-64.8-31.1-179.1-79.4-74000112E495 E496 S503E495-N499 PolarHBondContact O-N 3.28Å; E495-N499 PolarHBondContact O-ND2 2.94Å; E496-N499 PolarHBondContact O-N 3.05Å; N499-S503 WeakPolarHBondContact O-CB 3.48Å; N499-S503 PolarHBondContact O-N 2.87Å; N499-S503 PolarHBondContact O-OG 2.82Å
500K36.8Very low39.3Very low132 Ų132115.9 Ų115.957%0.57462%0.624SS**Hα-helixtrans-78.1-23.6172.3-75168.5-176.4145.30114.2E496 E497 K498 G504E496-K500 PolarHBondContact O-N 3.28Å; E496-K500 IonicContact OE2-NZ 3.26Å; E496-K500 PolarHBondContact OE2-NZ 3.33Å; E497-K500 CarbonylContact O-C 3.6Å; E497-K500 PolarHBondContact O-N 3.15Å; K498-K500 VanDerWaalsContact C-N 3.25Å; K498-K500 PolarHBondContact O-N 3.29Å; K500-G504 WeakPolarHBondContact O-CA 3.45Å; K500-G504 PolarHBondContact O-N 2.89Å
501L36.4Very low38.7Very low94 Ų94112.5 Ų112.549%0.49262%0.617SS.*Hα-helixtrans-82.2-43.8172.5-71.5163.9000111E497 K498 S503 G504 M505E497-L501 WeakPolarHBondContact O-CB 3.43Å; E497-L501 WeakPolarHBondContact O-CD1 3.27Å; E497-L501 VanDerWaalsContact O-CG 3.22Å; E497-L501 WeakPolarHBondContact O-CG 3.42Å; E497-L501 PolarHBondContact O-N 3.42Å; K498-L501 PolarHBondContact O-N 2.87Å; K498-L501 VanDerWaalsContact O-N 3.11Å; L501-S503 VanDerWaalsContact C-N 3.29Å; L501-S503 PolarHBondContact O-N 3.03Å; L501-G504 PolarHBondContact O-N 3.45Å; L501-G504 VanDerWaalsContact O-N 3.17Å; L501-M505 HydrophobicContact CB-CG 4.47Å; L501-M505 HydrophobicContact CB-SD 4.49Å; L501-M505 HydrophobicContact CD2-CG 3.93Å; L501-M505 HydrophobicContact CD2-SD 3.78Å; L501-M505 WeakPolarHBondContact O-CB 3.4Å; L501-M505 PolarHBondContact O-N 2.87Å
502E37.1Very low37.9Very low128 Ų128111.8 Ų111.860%0.59861%0.611SS**Hα-helixtrans-68.3-25.5174.3-66.5178.8-165.400111.7K498K498-E502 IonicContact NZ-OE1 3.55Å; K498-E502 PolarHBondContact NZ-OE1 3.3Å; K498-E502 WeakPolarHBondContact O-CB 3.37Å; K498-E502 WeakPolarHBondContact O-CG 3.25Å; K498-E502 PolarHBondContact O-N 3.44Å
503S35.8Very low37.3Very low89 Ų89111.3 Ų111.362%0.62261%0.613SS**THydrogen-bonded Turntrans-98.72.616994.20000115.3N499 L501N499-S503 WeakPolarHBondContact O-CB 3.48Å; N499-S503 PolarHBondContact O-N 2.87Å; N499-S503 PolarHBondContact O-OG 2.82Å; L501-S503 VanDerWaalsContact C-N 3.29Å; L501-S503 PolarHBondContact O-N 3.03Å
504G34.9Very low37Very low42 Ų42116.1 Ų116.143%0.43363%0.626SS.*THydrogen-bonded Turntrans-128.3-32.8-17000000114.7K500 L501 A506K500-G504 WeakPolarHBondContact O-CA 3.45Å; K500-G504 PolarHBondContact O-N 2.89Å; L501-G504 PolarHBondContact O-N 3.45Å; L501-G504 VanDerWaalsContact O-N 3.17Å; G504-A506 PolarHBondContact O-N 2.81Å
505M33.6Very low36.1Very low146 Ų146117.9 Ų117.972%0.71963%0.632SS**THydrogen-bonded Turntrans-79.41.4165.4-56.5-170.476.900112.1L501 N507L501-M505 HydrophobicContact CB-CG 4.47Å; L501-M505 HydrophobicContact CB-SD 4.49Å; L501-M505 HydrophobicContact CD2-CG 3.93Å; L501-M505 HydrophobicContact CD2-SD 3.78Å; L501-M505 WeakPolarHBondContact O-CB 3.4Å; L501-M505 PolarHBondContact O-N 2.87Å; M505-N507 PolarHBondContact O-N 2.83Å
506A37Very low35.4Very low69 Ų69117 Ų11757%0.5764%0.641SS**THydrogen-bonded Turntrans-79.11.6171.300000114G504G504-A506 PolarHBondContact O-N 2.81Å
507N39.8Very low35.1Very low151 Ų151113.1 Ų113.181%0.80763%0.629SS**SBendtrans-146.377.5173.1-73.8-79.6000109.2M505M505-N507 PolarHBondContact O-N 2.83Å
508G42.7Very low34.9Very low63 Ų63112 Ų11265%0.64964%0.635SS**SBendtrans-174.41.5-172.900000119.9
509D32Very low35.3Very low161 Ų161115.9 Ų115.986%0.86165%0.652SS**  trans-155.394.8167-98.8-37.6000109.1P511D509-P511 WeakPolarHBondContact O-CD 3.45Å
510E29Very low36.3Very low173 Ų173113.2 Ų113.281%0.80864%0.64SS**  trans-98.1108.3166.7-78.4-169172.200109.6
511P31.5Very low38Very low98 Ų98107.7 Ų107.764%0.63662%0.617SS**  trans-62.7141.8139.930.9-32.7000108.2D509 D513D509-P511 WeakPolarHBondContact O-CD 3.45Å; P511-D513 VanDerWaalsContact C-N 3.27Å; P511-D513 PolarHBondContact O-N 3.43Å
512M29.4Very low40Very low100 Ų100105.8 Ų105.849%0.49361%0.609SS.*  trans-76.269.7-175.5-72.3-162.4-66.500113.5Y274 Q514Y274-M512 HydrophobicContact CD1-CE 4.13Å; Y274-M512 HydrophobicContact CG-CE 4.19Å; M512-Q514 PolarHBondContact O-N 3.37Å; M512-Q514 VanDerWaalsContact O-N 3.07Å
513D32.4Very low42.1Very low136 Ų136103.8 Ų103.873%0.72760%0.599SS**  trans-81.556.5170.3-90-40.6000112.3P511 D515P511-D513 VanDerWaalsContact C-N 3.27Å; P511-D513 PolarHBondContact O-N 3.43Å; D513-D515 PolarHBondContact O-N 2.83Å
514Q31.2Very low44.3Very low163 Ų163101.6 Ų101.676%0.76258%0.583SS**THydrogen-bonded Turntrans-79.457.2173.9-74.1-160.720.200113.7M512M512-Q514 PolarHBondContact O-N 3.37Å; M512-Q514 VanDerWaalsContact O-N 3.07Å
515D31.2Very low46.6Very low110 Ų110102.4 Ų102.459%0.58858%0.579SS**THydrogen-bonded Turntrans-158.667.8135.4-141.7-20.7000113.2D513 S517D513-D515 PolarHBondContact O-N 2.83Å; D515-S517 VanDerWaalsContact OD1-CB 3.24Å; D515-S517 WeakPolarHBondContact OD1-CB 3.41Å; D515-S517 PolarHBondContact OD1-N 3.08Å; D515-S517 PolarHBondContact OD1-OG 2.77Å
516S31.1Very low49.1Very low115 Ų11598.6 Ų98.680%0.80457%0.567SS**  trans-8820.3163.960.60000113.2
517S35Very low51.5Low55 Ų5598.8 Ų98.839%0.38556%0.561SS.*SBendtrans-59.3140.7157.477.10000108.4D515 K519D515-S517 VanDerWaalsContact OD1-CB 3.24Å; D515-S517 WeakPolarHBondContact OD1-CB 3.41Å; D515-S517 PolarHBondContact OD1-N 3.08Å; D515-S517 PolarHBondContact OD1-OG 2.77Å; S517-K519 PolarHBondContact O-N 3.29Å
518S36.6Very low53.8Low106 Ų10696.6 Ų96.674%0.74155%0.554SS**  trans-54.1107.9-175.953.70000109.5V520S518-V520 VanDerWaalsContact C-N 3.33Å; S518-V520 VanDerWaalsContact O-CG2 3.31Å; S518-V520 WeakPolarHBondContact O-CG2 3.29Å; S518-V520 PolarHBondContact O-N 2.9Å
519K48.4Very low55.9Low196 Ų19698.3 Ų98.385%0.85255%0.545SS*.  trans-48.593.9-166.1-79.4-167.9175.2-1750111.3S517 P521S517-K519 PolarHBondContact O-N 3.29Å; K519-P521 VanDerWaalsContact O-CD 3.23Å; K519-P521 WeakPolarHBondContact O-CD 3.41Å
520V59.8Low58.6Low51 Ų5194.5 Ų94.531%0.30953%0.525SS..  trans-71.9117.9178.3-174.90000105.1K386 S518 T522K386-V520 HydrophobicContact CB-CG1 3.95Å; K386-V520 HydrophobicContact CD-CB 4.18Å; K386-V520 HydrophobicContact CD-CG1 4.4Å; K386-V520 HydrophobicContact CD-CG2 4.43Å; K386-V520 HydrophobicContact CG-CB 4.4Å; K386-V520 HydrophobicContact CG-CG1 4.36Å; S518-V520 VanDerWaalsContact C-N 3.33Å; S518-V520 VanDerWaalsContact O-CG2 3.31Å; S518-V520 WeakPolarHBondContact O-CG2 3.29Å; S518-V520 PolarHBondContact O-N 2.9Å; V520-T522 WeakPolarHBondContact O-CG2 3.16Å; V520-T522 PolarHBondContact O-N 2.78Å
521P74.2Confident61.4Low15 Ų1586.3 Ų86.310%0.09749%0.486CS..  trans-48133177.2-31.338.9000110.8L387 L392 Y395 K519L387-P521 HydrophobicContact CB-CB 4.37Å; L387-P521 VanDerWaalsContact CB-O 3.23Å; L387-P521 WeakPolarHBondContact CB-O 3.43Å; L387-P521 HydrophobicContact CD1-CB 3.88Å; L387-P521 HydrophobicContact CG-CB 4.45Å; L387-P521 WeakPolarHBondContact CG-O 3.45Å; L387-P521 PolarHBondContact N-O 2.9Å; L392-P521 HydrophobicContact CD1-CB 4.24Å; L392-P521 VanDerWaalsContact CD1-CD 3.45Å; L392-P521 HydrophobicContact CD1-CG 3.64Å; Y395-P521 HydrophobicContact CD1-CB 3.51Å; Y395-P521 HydrophobicContact CD1-CG 3.21Å; Y395-P521 HydrophobicContact CD2-CB 4.05Å; Y395-P521 HydrophobicContact CE1-CB 3.67Å; Y395-P521 HydrophobicContact CE1-CG 3.37Å; Y395-P521 HydrophobicContact CE2-CB 4.19Å; Y395-P521 HydrophobicContact CG-CB 3.71Å; Y395-P521 HydrophobicContact CG-CG 3.92Å; K519-P521 VanDerWaalsContact O-CD 3.23Å; K519-P521 WeakPolarHBondContact O-CD 3.41Å
522T77.8Confident64.2Low54 Ų5485.7 Ų85.733%0.33148%0.475SS..EExtended strand (participates in β ladder)trans-118.4150.6-176.359.60000111.2R384 V385 K386 V520R384-T522 WeakPolarHBondContact CD-OG1 3.46Å; R384-T522 VanDerWaalsContact CG-CB 3.49Å; R384-T522 HydrophobicContact CG-CG2 4.01Å; R384-T522 PolarHBondContact NH1-OG1 2.84Å; V385-T522 CarbonylContact O-C 3.4Å; V385-T522 VanDerWaalsContact O-CA 3.25Å; V385-T522 WeakPolarHBondContact O-CA 3.39Å; K386-T522 HydrophobicContact CG-CG2 4.38Å; V520-T522 WeakPolarHBondContact O-CG2 3.16Å; V520-T522 PolarHBondContact O-N 2.78Å
523K81.6Confident67.2Low87 Ų8781.6 Ų81.638%0.37846%0.455SS..EExtended strand (participates in β ladder)trans-129.8132.8176.7173.1176.1168-171.40109.1V385 L387 E391V385-K523 PolarHBondContact N-O 2.84Å; V385-K523 PolarHBondContact O-N 3.11Å; L387-K523 HydrophobicContact CD2-CB 3.55Å; L387-K523 HydrophobicContact CD2-CD 3.75Å; L387-K523 HydrophobicContact CD2-CG 4.36Å; L387-K523 HydrophobicContact CG-CB 4.11Å; E391-K523 IonicContact OE1-NZ 3.2Å; E391-K523 PolarHBondContact OE1-NZ 3.09Å; E391-K523 WeakPolarHBondContact OE2-CD 3.49Å; E391-K523 IonicContact OE2-NZ 3.85Å; E391-K523 PolarHBondContact OE2-NZ 3.44Å
524C80.6Confident70Confident43 Ų4379.6 Ų79.629%0.29144%0.44SS..EExtended strand (participates in β ladder)trans-80.6130172.6-63.20000109.5T108 E109 K383T108-C524 WeakPolarHBondContact O-CB 3.35Å; T108-C524 PolarHBondContact O-SG 2.86Å; E109-C524 VanDerWaalsContact C-SG 3.51Å; E109-C524 VanDerWaalsContact CA-SG 3.55Å; K383-C524 WeakPolarHBondContact O-CA 3.35Å
525T83.8Confident73Confident58 Ų5872.2 Ų72.236%0.35641%0.407SS..EExtended strand (participates in β ladder)trans-115.3136.2173.952.60000109.2R382 K383R382-T525 WeakPolarHBondContact CA-O 3.49Å; K383-T525 PolarHBondContact N-O 3.37Å; K383-T525 PolarHBondContact O-N 3.07Å; K383-T525 PolarHBondContact O-OG1 3.15Å
526S85.4Confident76Confident66 Ų6671.1 Ų71.146%0.46239%0.394SS..EExtended strand (participates in β ladder)trans-108.8133.4172.5170.80000109.6E380 I381E380-S526 WeakPolarHBondContact CG-OG 3.38Å; E380-S526 VanDerWaalsContact OE1-CB 3.3Å; E380-S526 WeakPolarHBondContact OE1-CB 3.27Å; E380-S526 PolarHBondContact OE1-OG 2.82Å; I381-S526 WeakPolarHBondContact O-CA 3.38Å
527T87.9Confident79Confident73 Ų7367.4 Ų67.445%0.44837%0.366SS..EExtended strand (participates in β ladder)trans-141.4125.4175.447.60000109.7I381I381-T527 PolarHBondContact N-O 3.1Å; I381-T527 PolarHBondContact O-N 3.27Å
528T88.9Confident81.8Confident106 Ų10666.3 Ų66.365%0.6536%0.357SS*.EExtended strand (participates in β ladder)trans-78.4123171.3-45.70000109.9D378 L379D378-T528 HydrophobicContact CB-CG2 4.43Å; L379-T528 WeakPolarHBondContact O-CA 3.32Å
529E87.3Confident84.6Confident98 Ų9863.8 Ų63.846%0.45833%0.332SS..EExtended strand (participates in β ladder)trans-120.6141.5172.4-66.2-166.3167.900110.7L379 I381L379-E529 PolarHBondContact N-O 3.34Å; L379-E529 PolarHBondContact O-N 2.77Å; I381-E529 HydrophobicContact CD1-CB 3.89Å; I381-E529 HydrophobicContact CD1-CG 3.9Å; I381-E529 WeakPolarHBondContact CD1-OE2 3.43Å
530N88.1Confident86.8Confident82 Ų8254.6 Ų54.644%0.43929%0.292SS..EExtended strand (participates in β ladder)trans-88.3118.9171.1-173.6-85.3000109.1M376 D378M376-N530 WeakPolarHBondContact CE-OD1 3.2Å; D378-N530 VanDerWaalsContact OD1-CB 3.31Å; D378-N530 WeakPolarHBondContact OD1-CB 3.24Å; D378-N530 PolarHBondContact OD1-ND2 2.88Å
531L87.5Confident88.5Confident1 Ų152.4 Ų52.41%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-112.9125.8-173.8-66.1170.9000111.1I343 Q347 L377 L379I343-L531 HydrophobicContact CG1-CD1 4.1Å; I343-L531 HydrophobicContact CG2-CD1 4.18Å; Q347-L531 VanDerWaalsContact NE2-CD2 3.27Å; L377-L531 PolarHBondContact N-O 2.67Å; L377-L531 PolarHBondContact O-N 2.86Å; L379-L531 HydrophobicContact CB-CD1 4.26Å; L379-L531 HydrophobicContact CD1-CD1 4.02Å
532E90.5Very high89.4Confident85 Ų8551.8 Ų51.840%0.39727%0.274SS..EExtended strand (participates in β ladder)trans-86.6109.8174.8-169.2-170.4165.200110.7K375 M376 K534K375-E532 CarbonylContact O-C 3.53Å; K375-E532 WeakPolarHBondContact O-CA 3.28Å; M376-E532 HydrophobicContact SD-CB 3.98Å; M376-E532 HydrophobicContact SD-CG 3.85Å; E532-K534 HydrophobicContact CG-CG 4.29Å; E532-K534 PolarHBondContact O-N 3.45Å; E532-K534 WeakPolarHBondContact OE1-CE 3.39Å; E532-K534 IonicContact OE1-NZ 3.66Å; E532-K534 PolarHBondContact OE1-NZ 2.71Å; E532-K534 VanDerWaalsContact OE2-CE 3.24Å; E532-K534 WeakPolarHBondContact OE2-CE 3.23Å; E532-K534 IonicContact OE2-NZ 2.96Å; E532-K534 PolarHBondContact OE2-NZ 2.86Å
533I92Very high90Very high14 Ų1449.2 Ų49.27%0.07226%0.259CS..  trans-78.3108.2178.7-52.5175.1000109.2F342 L368 K375 L377 V537F342-I533 HydrophobicContact CZ-CD1 4.12Å; F342-I533 HydrophobicContact CZ-CG1 4.45Å; L368-I533 HydrophobicContact CD2-CD1 3.77Å; K375-I533 PolarHBondContact O-N 2.73Å; L377-I533 HydrophobicContact CB-CD1 4.17Å; L377-I533 HydrophobicContact CD2-CD1 4.19Å; I533-V537 HydrophobicContact CG2-CG2 3.94Å
534K92.3Very high90.5Very high94 Ų9445.1 Ų45.141%0.40924%0.241SC..  trans-109.2-27.5173.9-57.7-166.8-176.266.70113.1C346 Q347 A349 E532C346-K534 PolarHBondContact O-N 3.12Å; Q347-K534 WeakPolarHBondContact O-CD 3.37Å; A349-K534 WeakPolarHBondContact CA-O 3.43Å; A349-K534 HydrophobicContact CB-CB 4.15Å; E532-K534 HydrophobicContact CG-CG 4.29Å; E532-K534 PolarHBondContact O-N 3.45Å; E532-K534 WeakPolarHBondContact OE1-CE 3.39Å; E532-K534 IonicContact OE1-NZ 3.66Å; E532-K534 PolarHBondContact OE1-NZ 2.71Å; E532-K534 VanDerWaalsContact OE2-CE 3.24Å; E532-K534 WeakPolarHBondContact OE2-CE 3.23Å; E532-K534 IonicContact OE2-NZ 2.96Å; E532-K534 PolarHBondContact OE2-NZ 2.86Å
535A92.6Very high91.2Very high8 Ų843.2 Ų43.27%0.06623%0.228CC..SBendtrans-60.7151.717700000111.8C346 D348 N351 V537C346-A535 PolarHBondContact O-N 3.11Å; D348-A535 WeakPolarHBondContact O-CA 3.35Å; D348-A535 WeakPolarHBondContact O-CB 3.42Å; N351-A535 HydrophobicContact CB-CB 4.08Å; N351-A535 WeakPolarHBondContact O-CA 3.26Å; N351-A535 WeakPolarHBondContact O-CB 3.18Å; A535-V537 PolarHBondContact O-N 2.92Å; A535-V537 VanDerWaalsContact O-N 3.08Å
536R94.3Very high91.6Very high87 Ų8740.5 Ų40.533%0.32821%0.211SC..EExtended strand (participates in β ladder)trans-75.199.2176.6177.7164.866.6-172.15.2110.7N222 E225 N351 S352 V353N222-R536 PolarHBondContact O-NH2 3.04Å; N222-R536 PolarHBondContact OD1-NE 3.05Å; N222-R536 VanDerWaalsContact OD1-NE 3.17Å; N222-R536 PolarHBondContact OD1-NH2 3.4Å; E225-R536 IonicContact OE1-NH1 2.67Å; E225-R536 IonicContact OE2-CZ 2.65Å; E225-R536 IonicContact OE2-NH1 3.48Å; E225-R536 PolarHBondContact OE2-NH1 2.91Å; E225-R536 IonicContact OE2-NH2 2.83Å; E225-R536 PolarHBondContact OE2-NH2 2.84Å; N351-R536 PolarHBondContact O-N 3.45Å; S352-R536 CarbonylContact C-O 3.6Å; S352-R536 VanDerWaalsContact CA-O 3.28Å; S352-R536 WeakPolarHBondContact CA-O 3.28Å; S352-R536 PolarHBondContact OG-O 3.46Å; S352-R536 VanDerWaalsContact OG-O 3.13Å; V353-R536 PolarHBondContact N-O 2.98Å
537V93.9Very high91.9Very high36 Ų3638.1 Ų38.122%0.21819%0.194CC..EExtended strand (participates in β ladder)trans-75.1139.8166.1-171.70000109.4V353 L355 L368 I533 A535V353-V537 HydrophobicContact CB-CG2 4.37Å; V353-V537 CarbonylContact O-C 3.45Å; V353-V537 WeakPolarHBondContact O-CA 3.38Å; L355-V537 HydrophobicContact CD1-CG1 4.1Å; L355-V537 HydrophobicContact CG-CG1 4.48Å; L368-V537 HydrophobicContact CB-CG1 4.23Å; I533-V537 HydrophobicContact CG2-CG2 3.94Å; A535-V537 PolarHBondContact O-N 2.92Å; A535-V537 VanDerWaalsContact O-N 3.08Å
538T94.6Very high92Very high32 Ų3234.8 Ų34.820%0.19617%0.173CC..EExtended strand (participates in β ladder)trans-154.1122.5176.3-57.60000111.2V353 I354 L355 I540V353-T538 PolarHBondContact O-N 3.21Å; I354-T538 WeakPolarHBondContact CA-O 3.3Å; L355-T538 PolarHBondContact N-O 3.15Å; T538-I540 HydrophobicContact CG2-CD1 4.29Å; T538-I540 HydrophobicContact CG2-CG1 3.85Å
539Y95.3Very high92.1Very high53 Ų5335.7 Ų35.721%0.20817%0.174CC..EExtended strand (participates in β ladder)trans-75.8129.7166.4-179.6-113.4000110.8L355 R358 I369 D541L355-Y539 HydrophobicContact CB-CD2 4.29Å; L355-Y539 WeakPolarHBondContact O-CA 3.5Å; L355-Y539 WeakPolarHBondContact O-CD2 3.22Å; R358-Y539 HydrophobicContact CG-CE2 4.15Å; R358-Y539 PolarHBondContact NE-OH 3.08Å; I369-Y539 HydrophobicContact CD1-CD2 3.63Å; I369-Y539 HydrophobicContact CD1-CE2 3.87Å; I369-Y539 HydrophobicContact CD1-CG 4.45Å; I369-Y539 HydrophobicContact CG1-CD2 3.76Å; I369-Y539 HydrophobicContact CG1-CE2 4.46Å; I369-Y539 HydrophobicContact CG1-CG 4.16Å; I369-Y539 HydrophobicContact CG2-CD1 4.41Å; I369-Y539 HydrophobicContact CG2-CD2 4.29Å; I369-Y539 HydrophobicContact CG2-CG 4.1Å; Y539-D541 HydrophobicContact CE1-CB 3.99Å
540I95.3Very high92.4Very high4 Ų432.1 Ų32.12%0.02116%0.16CC..  trans-137.2102.1169.6-47.4179.4000107.4R215 Q218 L219 I354 L355 T356 T538 Y542R215-I540 HydrophobicContact CB-CG2 4.18Å; Q218-I540 HydrophobicContact CG-CD1 4.03Å; Q218-I540 HydrophobicContact CG-CG1 4.44Å; L219-I540 HydrophobicContact CB-CD1 4.16Å; L219-I540 HydrophobicContact CD1-CD1 4.24Å; I354-I540 HydrophobicContact CG2-CB 4.33Å; I354-I540 HydrophobicContact CG2-CD1 3.92Å; I354-I540 HydrophobicContact CG2-CG1 4.04Å; L355-I540 PolarHBondContact O-N 3.14Å; T356-I540 WeakPolarHBondContact CA-O 3.46Å; T538-I540 HydrophobicContact CG2-CD1 4.29Å; T538-I540 HydrophobicContact CG2-CG1 3.85Å; I540-Y542 HydrophobicContact CB-CE2 4.43Å; I540-Y542 HydrophobicContact CG2-CD2 4.17Å; I540-Y542 HydrophobicContact CG2-CE2 3.68Å; I540-Y542 WeakPolarHBondContact O-CD2 3.45Å; I540-Y542 PolarHBondContact O-N 3.34Å; I540-Y542 VanDerWaalsContact O-N 3.12Å
541D94.3Very high92.6Very high4 Ų428.3 Ų28.32%0.02114%0.14CC..  trans-50.5117179158.632.7000112.4Q209 R215 Y539 E543Q209-D541 WeakPolarHBondContact CG-OD2 3.37Å; Q209-D541 PolarHBondContact NE2-OD2 3.05Å; R215-D541 WeakPolarHBondContact CD-O 3.42Å; R215-D541 IonicContact CZ-OD2 3.67Å; R215-D541 PolarHBondContact NE-O 2.87Å; R215-D541 VanDerWaalsContact NH1-CG 3.32Å; R215-D541 IonicContact NH1-OD1 2.63Å; R215-D541 IonicContact NH1-OD2 3.37Å; R215-D541 PolarHBondContact NH1-OD2 2.72Å; Y539-D541 HydrophobicContact CE1-CB 3.99Å; D541-E543 WeakPolarHBondContact OD1-CG 3.45Å; D541-E543 PolarHBondContact OD1-N 3.06Å
542Y94.7Very high92.8Very high2 Ų229.7 Ų29.71%0.00815%0.146CC..  trans-128.524.3159.7-78.1-92000111R215 D216 L219 R242 L246 L249 T356 I540 G544R215-Y542 HydrophobicContact CB-CE2 4.35Å; R215-Y542 PolarHBondContact O-OH 3Å; D216-Y542 VanDerWaalsContact CA-OH 3.24Å; D216-Y542 WeakPolarHBondContact CA-OH 3.46Å; D216-Y542 PolarHBondContact N-OH 3.41Å; L219-Y542 HydrophobicContact CB-CE2 4.18Å; L219-Y542 HydrophobicContact CD2-CE2 3.77Å; L219-Y542 HydrophobicContact CG-CE2 4.47Å; R242-Y542 VanDerWaalsContact CZ-O 3.3Å; R242-Y542 PolarHBondContact NE-O 2.93Å; R242-Y542 PolarHBondContact NH2-O 3.43Å; L246-Y542 HydrophobicContact CD2-CD1 3.92Å; L246-Y542 HydrophobicContact CD2-CD2 3.97Å; L246-Y542 HydrophobicContact CD2-CE1 4.2Å; L246-Y542 HydrophobicContact CD2-CE2 4.26Å; L246-Y542 HydrophobicContact CD2-CG 3.8Å; L246-Y542 HydrophobicContact CG-CG 4.44Å; L249-Y542 HydrophobicContact CD2-CE1 3.87Å; T356-Y542 CarbonylContact O-C 3.59Å; T356-Y542 PolarHBondContact O-N 2.86Å; I540-Y542 HydrophobicContact CB-CE2 4.43Å; I540-Y542 HydrophobicContact CG2-CD2 4.17Å; I540-Y542 HydrophobicContact CG2-CE2 3.68Å; I540-Y542 WeakPolarHBondContact O-CD2 3.45Å; I540-Y542 PolarHBondContact O-N 3.34Å; I540-Y542 VanDerWaalsContact O-N 3.12Å; Y542-G544 PolarHBondContact O-N 3.47Å; Y542-G544 VanDerWaalsContact O-N 3.09Å
543E89.9Confident92.8Very high0 Ų032.4 Ų32.40%016%0.156CC..  trans-60.3-28.5-176.281.4-170.214300111.4H153 F203 N204 R242 T356 Y357 R358 D541 R545H153-E543 PolarHBondContact CE1-O 2.78Å; H153-E543 PolarHBondContact ND1-O 3.15Å; F203-E543 WeakPolarHBondContact CE1-OE2 3.38Å; N204-E543 PolarHBondContact ND2-OE1 3.44Å; R242-E543 VanDerWaalsContact CD-O 3.31Å; R242-E543 WeakPolarHBondContact CD-O 3.3Å; R242-E543 PolarHBondContact NE-O 3.24Å; T356-E543 PolarHBondContact O-N 3.47Å; Y357-E543 HydrophobicContact CD2-CB 3.88Å; Y357-E543 HydrophobicContact CE2-CB 4.28Å; R358-E543 IonicContact CZ-OE1 2.64Å; R358-E543 IonicContact CZ-OE2 3.12Å; R358-E543 IonicContact NH2-OE1 2.69Å; R358-E543 PolarHBondContact NH2-OE1 2.98Å; R358-E543 IonicContact NH2-OE2 2.71Å; R358-E543 PolarHBondContact NH2-OE2 3.24Å; D541-E543 WeakPolarHBondContact OD1-CG 3.45Å; D541-E543 PolarHBondContact OD1-N 3.06Å; E543-R545 HydrophobicContact CG-CB 3.99Å; E543-R545 HydrophobicContact CG-CG 4Å; E543-R545 IonicContact OE2-CZ 3.43Å; E543-R545 IonicContact OE2-NH1 2.86Å; E543-R545 PolarHBondContact OE2-NH1 2.9Å
544G91.8Very high92.8Very high1 Ų133 Ų331%0.0116%0.159CC..  trans6940.4174.200000112.1H153 N177 Y542H153-G544 PolarHBondContact ND1-O 3.09Å; N177-G544 VanDerWaalsContact CB-O 3.25Å; N177-G544 WeakPolarHBondContact CB-O 3.27Å; N177-G544 PolarHBondContact ND2-O 3.2Å; N177-G544 VanDerWaalsContact ND2-O 3.1Å; Y542-G544 PolarHBondContact O-N 3.47Å; Y542-G544 VanDerWaalsContact O-N 3.09Å
545R93.9Very high92.7Very high3 Ų328.7 Ų28.71%0.01114%0.141CC..PPolyproline II helixtrans-101.9163.2166-69.2173.6172.9114.6-0.1110.1D175 Q209 Y357 E543D175-R545 IonicContact OD1-CZ 3.85Å; D175-R545 IonicContact OD1-NE 3.43Å; D175-R545 PolarHBondContact OD1-NE 3.16Å; D175-R545 IonicContact OD1-NH2 3.84Å; D175-R545 PolarHBondContact OD1-NH2 3.38Å; D175-R545 IonicContact OD2-CZ 2.67Å; D175-R545 IonicContact OD2-NE 3.68Å; D175-R545 PolarHBondContact OD2-NE 2.9Å; D175-R545 IonicContact OD2-NH2 2.65Å; D175-R545 PolarHBondContact OD2-NH2 2.78Å; Q209-R545 PolarHBondContact NE2-O 2.93Å; Y357-R545 PolarHBondContact OH-NH2 3.12Å; E543-R545 HydrophobicContact CG-CB 3.99Å; E543-R545 HydrophobicContact CG-CG 4Å; E543-R545 IonicContact OE2-CZ 3.43Å; E543-R545 IonicContact OE2-NH1 2.86Å; E543-R545 PolarHBondContact OE2-NH1 2.9Å
546S93.1Very high92.6Very high1 Ų130.9 Ų30.91%0.00715%0.151CC..PPolyproline II helixtrans-66.3159.2169.1-640000112.4F176 H178 N204F176-S546 WeakPolarHBondContact O-CB 3.29Å; F176-S546 PolarHBondContact O-N 2.99Å; F176-S546 PolarHBondContact O-OG 2.9Å; H178-S546 PolarHBondContact N-OG 3.48Å; H178-S546 WeakPolarHBondContact ND1-CB 3.42Å; H178-S546 PolarHBondContact ND1-OG 3.03Å; N204-S546 WeakPolarHBondContact CB-O 3.31Å; N204-S546 PolarHBondContact ND2-O 3.1Å; N204-S546 VanDerWaalsContact ND2-O 3.1Å
547D92.1Very high92.4Very high17 Ų1732.2 Ų32.29%0.09116%0.161CC..PPolyproline II helixtrans-92.9158.4170.455.6-83.1000112.2H178 K179 Q209 D549 S550 I551H178-D547 IonicContact CE1-OD1 3.48Å; H178-D547 PolarHBondContact CE1-OD1 3.16Å; K179-D547 WeakPolarHBondContact CE-OD1 3.21Å; K179-D547 IonicContact NZ-OD1 3.64Å; K179-D547 PolarHBondContact NZ-OD1 2.96Å; Q209-D547 HydrophobicContact CB-CB 3.83Å; D547-D549 PolarHBondContact O-N 3.35Å; D547-S550 PolarHBondContact O-N 3.49Å; D547-S550 PolarHBondContact OD1-OG 2.69Å; D547-S550 VanDerWaalsContact OD1-OG 3.06Å; D547-S550 VanDerWaalsContact OD2-CB 3.26Å; D547-S550 WeakPolarHBondContact OD2-CB 3.43Å; D547-S550 PolarHBondContact OD2-N 2.86Å; D547-S550 PolarHBondContact OD2-OG 3.06Å; D547-I551 WeakPolarHBondContact O-CG1 3.33Å; D547-I551 PolarHBondContact O-N 2.87Å
548G90.4Very high92.2Very high2 Ų231.1 Ų31.12%0.02115%0.154CC..Hα-helixtrans-56.5-45.9-174.500000115.3N204 A205 Y207 S550 I551 K552N204-G548 WeakPolarHBondContact O-CA 3.21Å; N204-G548 PolarHBondContact O-N 3.18Å; A205-G548 VanDerWaalsContact O-CA 3.23Å; A205-G548 WeakPolarHBondContact O-CA 3.25Å; Y207-G548 PolarHBondContact O-N 3.31Å; G548-S550 VanDerWaalsContact C-N 3.25Å; G548-S550 PolarHBondContact O-N 3.12Å; G548-I551 PolarHBondContact O-N 3.49Å; G548-K552 WeakPolarHBondContact O-CB 3.45Å; G548-K552 VanDerWaalsContact O-CG 3.24Å; G548-K552 WeakPolarHBondContact O-CG 3.41Å; G548-K552 PolarHBondContact O-N 2.89Å
549D91.3Very high91.9Very high125 Ų12534.6 Ų34.667%0.66817%0.166SC*.Hα-helixtrans-56.9-42.1175.8-79.6-25.1000111.3D547 K553D547-D549 PolarHBondContact O-N 3.35Å; D549-K553 VanDerWaalsContact O-CB 3.23Å; D549-K553 WeakPolarHBondContact O-CB 3.49Å; D549-K553 PolarHBondContact O-N 2.9Å
550S92Very high91.7Very high24 Ų2432.1 Ų32.117%0.16816%0.157CC..Hα-helixtrans-75.4-38.3-179-58.30000113H178 D547 G548 K553 I554H178-S550 WeakPolarHBondContact CE1-CB 3.4Å; H178-S550 PolarHBondContact CE1-OG 3.46Å; H178-S550 VanDerWaalsContact CE1-OG 3.3Å; H178-S550 PolarHBondContact NE2-OG 2.91Å; D547-S550 PolarHBondContact O-N 3.49Å; D547-S550 PolarHBondContact OD1-OG 2.69Å; D547-S550 VanDerWaalsContact OD1-OG 3.06Å; D547-S550 VanDerWaalsContact OD2-CB 3.26Å; D547-S550 WeakPolarHBondContact OD2-CB 3.43Å; D547-S550 PolarHBondContact OD2-N 2.86Å; D547-S550 PolarHBondContact OD2-OG 3.06Å; G548-S550 VanDerWaalsContact C-N 3.25Å; G548-S550 PolarHBondContact O-N 3.12Å; S550-K553 PolarHBondContact O-N 3.39Å; S550-I554 WeakPolarHBondContact O-CB 3.49Å; S550-I554 WeakPolarHBondContact O-CD1 3.49Å; S550-I554 VanDerWaalsContact O-CG1 3.24Å; S550-I554 WeakPolarHBondContact O-CG1 3.23Å; S550-I554 PolarHBondContact O-N 2.99Å
551I92.1Very high91.4Very high2 Ų237 Ų371%0.0118%0.175CC..Hα-helixtrans-59.7-53172.6-66.5165.9000109.6F176 N204 D547 G548 K553 I554 I555 L576F176-I551 HydrophobicContact CZ-CG1 4.18Å; F176-I551 HydrophobicContact CZ-CG2 4.4Å; N204-I551 HydrophobicContact CB-CD1 4.2Å; D547-I551 WeakPolarHBondContact O-CG1 3.33Å; D547-I551 PolarHBondContact O-N 2.87Å; G548-I551 PolarHBondContact O-N 3.49Å; I551-K553 VanDerWaalsContact C-N 3.27Å; I551-K553 PolarHBondContact O-N 3.37Å; I551-I554 PolarHBondContact O-N 2.97Å; I551-I554 VanDerWaalsContact O-N 3.14Å; I551-I555 HydrophobicContact CG2-CD1 3.84Å; I551-I555 WeakPolarHBondContact O-CG1 3.39Å; I551-I555 PolarHBondContact O-N 3.27Å; I551-L576 HydrophobicContact CG2-CD1 4.17Å; I551-L576 HydrophobicContact CG2-CD2 4.5Å
552K92.1Very high91.3Very high29 Ų2936.9 Ų36.913%0.12617%0.174CC..Hα-helixtrans-56-40.9176.9-71.1172.2-173.5-169.90111.9A205 G548 N556 D575 L576 S579 F583A205-K552 WeakPolarHBondContact O-CE 3.38Å; G548-K552 WeakPolarHBondContact O-CB 3.45Å; G548-K552 VanDerWaalsContact O-CG 3.24Å; G548-K552 WeakPolarHBondContact O-CG 3.41Å; G548-K552 PolarHBondContact O-N 2.89Å; K552-N556 VanDerWaalsContact O-CB 3.3Å; K552-N556 WeakPolarHBondContact O-CB 3.45Å; K552-N556 PolarHBondContact O-N 2.97Å; K552-N556 VanDerWaalsContact O-N 3.14Å; K552-D575 WeakPolarHBondContact CE-OD2 3.4Å; K552-D575 IonicContact NZ-OD1 3.59Å; K552-D575 PolarHBondContact NZ-OD1 2.81Å; K552-D575 IonicContact NZ-OD2 3.9Å; K552-D575 PolarHBondContact NZ-OD2 3.42Å; K552-L576 HydrophobicContact CG-CD1 3.71Å; K552-S579 VanDerWaalsContact CE-OG 3.3Å; K552-S579 WeakPolarHBondContact CE-OG 3.48Å; K552-S579 PolarHBondContact NZ-OG 2.83Å; K552-S579 VanDerWaalsContact NZ-OG 3.12Å; K552-F583 HydrophobicContact CB-CE2 4.38Å
553K91.6Very high91.3Very high142 Ų14236.8 Ų36.862%0.61717%0.174SC*.Hα-helixtrans-67.1-42.7176.6-176.4-175.3174-1660113D549 S550 I551 N556 Q557D549-K553 VanDerWaalsContact O-CB 3.23Å; D549-K553 WeakPolarHBondContact O-CB 3.49Å; D549-K553 PolarHBondContact O-N 2.9Å; S550-K553 PolarHBondContact O-N 3.39Å; I551-K553 VanDerWaalsContact C-N 3.27Å; I551-K553 PolarHBondContact O-N 3.37Å; K553-N556 PolarHBondContact O-N 3.32Å; K553-Q557 WeakPolarHBondContact O-CB 3.36Å; K553-Q557 PolarHBondContact O-N 3.36Å
554I91.6Very high91.5Very high28 Ų2836.8 Ų36.814%0.14417%0.174CC..Hα-helixtrans-65-45.7-180-72.4161.7000110.4F176 H178 L189 S550 I551 N556 Q557 M558F176-I554 HydrophobicContact CE2-CD1 3.9Å; F176-I554 HydrophobicContact CE2-CG2 4.49Å; H178-I554 HydrophobicContact CB-CD1 3.71Å; L189-I554 HydrophobicContact CB-CG2 4.34Å; L189-I554 HydrophobicContact CD2-CG2 4.19Å; S550-I554 WeakPolarHBondContact O-CB 3.49Å; S550-I554 WeakPolarHBondContact O-CD1 3.49Å; S550-I554 VanDerWaalsContact O-CG1 3.24Å; S550-I554 WeakPolarHBondContact O-CG1 3.23Å; S550-I554 PolarHBondContact O-N 2.99Å; I551-I554 PolarHBondContact O-N 2.97Å; I551-I554 VanDerWaalsContact O-N 3.14Å; I554-N556 VanDerWaalsContact C-N 3.33Å; I554-N556 PolarHBondContact O-N 3.44Å; I554-Q557 WeakPolarHBondContact O-CB 3.29Å; I554-Q557 PolarHBondContact O-N 3.1Å; I554-Q557 VanDerWaalsContact O-N 3.09Å; I554-M558 HydrophobicContact CG2-CG 4.46Å; I554-M558 HydrophobicContact CG2-SD 3.97Å; I554-M558 WeakPolarHBondContact O-CG 3.25Å; I554-M558 PolarHBondContact O-N 3.41Å
555I91Very high91.7Very high2 Ų236.9 Ų36.91%0.0117%0.174CC..Hα-helixtrans-61.1-42.2176.6-62.4166.3000111L198 T200 I551 Q557 M558 K559 P560 L563 L576L198-I555 HydrophobicContact CD2-CG1 4.17Å; T200-I555 HydrophobicContact CG2-CD1 4.17Å; I551-I555 HydrophobicContact CG2-CD1 3.84Å; I551-I555 WeakPolarHBondContact O-CG1 3.39Å; I551-I555 PolarHBondContact O-N 3.27Å; I555-Q557 VanDerWaalsContact C-N 3.3Å; I555-Q557 PolarHBondContact O-N 3.34Å; I555-M558 PolarHBondContact O-N 3.08Å; I555-K559 PolarHBondContact O-N 3.32Å; I555-P560 HydrophobicContact CG2-CG 4.2Å; I555-L563 HydrophobicContact CG2-CD1 4.32Å; I555-L563 HydrophobicContact CG2-CD2 4.08Å; I555-L576 HydrophobicContact CD1-CD1 4.1Å; I555-L576 HydrophobicContact CD1-CD2 4.47Å
556N90.3Very high91.6Very high54 Ų5436.8 Ų36.829%0.28917%0.174SC..Hα-helixtrans-67.1-27175.9-169.86.8000113.2K552 K553 I554 K559 F583K552-N556 VanDerWaalsContact O-CB 3.3Å; K552-N556 WeakPolarHBondContact O-CB 3.45Å; K552-N556 PolarHBondContact O-N 2.97Å; K552-N556 VanDerWaalsContact O-N 3.14Å; K553-N556 PolarHBondContact O-N 3.32Å; I554-N556 VanDerWaalsContact C-N 3.33Å; I554-N556 PolarHBondContact O-N 3.44Å; N556-K559 WeakPolarHBondContact O-CE 3.17Å; N556-K559 WeakPolarHBondContact O-CG 3.1Å; N556-F583 HydrophobicContact CB-CD2 4.27Å; N556-F583 WeakPolarHBondContact ND2-CG 3.32Å
557Q89.7Confident91.4Very high115 Ų11537 Ų3754%0.53717%0.174SC..Hα-helixtrans-75.8-42.7172.1-178.7170.7-41.300111.8K553 I554 I555K553-Q557 WeakPolarHBondContact O-CB 3.36Å; K553-Q557 PolarHBondContact O-N 3.36Å; I554-Q557 WeakPolarHBondContact O-CB 3.29Å; I554-Q557 PolarHBondContact O-N 3.1Å; I554-Q557 VanDerWaalsContact O-N 3.09Å; I555-Q557 VanDerWaalsContact C-N 3.3Å; I555-Q557 PolarHBondContact O-N 3.34Å
558M88.8Confident91.2Very high13 Ų1336.1 Ų36.16%0.06417%0.17CC..Hα-helixtrans-71.6-38.3-179.4-69.6177.571.400113.6L189 V192 R194 P195 L198 I554 I555L189-M558 HydrophobicContact CB-SD 3.93Å; L189-M558 HydrophobicContact CD2-CE 4.1Å; L189-M558 HydrophobicContact CD2-SD 3.53Å; L189-M558 VanDerWaalsContact CD2-SD 3.53Å; L189-M558 HydrophobicContact CG-SD 4.32Å; V192-M558 HydrophobicContact CB-CE 3.95Å; V192-M558 HydrophobicContact CG1-CE 3.84Å; R194-M558 WeakPolarHBondContact CA-O 2.99Å; R194-M558 PolarHBondContact N-O 2.84Å; P195-M558 HydrophobicContact CG-CE 4Å; L198-M558 HydrophobicContact CD2-CE 4.46Å; L198-M558 HydrophobicContact CD2-SD 4.37Å; I554-M558 HydrophobicContact CG2-CG 4.46Å; I554-M558 HydrophobicContact CG2-SD 3.97Å; I554-M558 WeakPolarHBondContact O-CG 3.25Å; I554-M558 PolarHBondContact O-N 3.41Å; I555-M558 PolarHBondContact O-N 3.08Å
559K88.8Confident91.2Very high105 Ų10537.8 Ų37.846%0.45718%0.18SC..  trans54.458-178-56-175.1179.5-177.50113.6R194 I555 N556R194-K559 WeakPolarHBondContact CG-O 3.31Å; I555-K559 PolarHBondContact O-N 3.32Å; N556-K559 WeakPolarHBondContact O-CE 3.17Å; N556-K559 WeakPolarHBondContact O-CG 3.1Å
560P90.9Very high91.1Very high2 Ų234.6 Ų34.61%0.01317%0.167CC..  trans-57.1149.8175.729.8-38.1000111P195 L198 I555 L563 I587P195-P560 HydrophobicContact CG-CB 4.05Å; P195-P560 WeakPolarHBondContact O-CA 3.46Å; L198-P560 HydrophobicContact CB-CB 3.76Å; L198-P560 HydrophobicContact CB-CG 4.17Å; L198-P560 HydrophobicContact CD2-CG 4.24Å; I555-P560 HydrophobicContact CG2-CG 4.2Å; P560-L563 HydrophobicContact CG-CB 4.45Å; P560-L563 HydrophobicContact CG-CD1 4.33Å; P560-I587 HydrophobicContact CG-CD1 4.44Å; P560-I587 WeakPolarHBondContact O-CD1 3.46Å; P560-I587 WeakPolarHBondContact O-CG1 3.44Å
561R89.4Confident91.1Very high106 Ų10641.1 Ų41.140%0.420%0.195SC..SBendtrans-71.4-41.5173.8-57.7-175.1178.7-1337.7111.4E168 P195 S196 K588E168-R561 VanDerWaalsContact CD-NH2 3.29Å; E168-R561 IonicContact OE1-CZ 3.21Å; E168-R561 IonicContact OE1-NE 2.68Å; E168-R561 IonicContact OE1-NH2 2.67Å; E168-R561 PolarHBondContact OE1-NH2 2.85Å; E168-R561 IonicContact OE2-CZ 2.69Å; E168-R561 VanDerWaalsContact OE2-CZ 3.3Å; E168-R561 IonicContact OE2-NE 2.78Å; E168-R561 PolarHBondContact OE2-NE 2.87Å; E168-R561 IonicContact OE2-NH2 3.84Å; E168-R561 PolarHBondContact OE2-NH2 2.83Å; P195-R561 PolarHBondContact O-N 2.87Å; S196-R561 WeakPolarHBondContact O-CB 3.28Å; S196-R561 PolarHBondContact O-N 2.98Å; R561-K588 PolarHBondContact O-N 3.49Å
562Q91.9Very high91.1Very high2 Ų241 Ų411%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-128.1135.3-179.3-64.5167.8-91.900108.6S196 L197 L198 K588 Y590 A600 T601 S602S196-Q562 WeakPolarHBondContact O-CB 3.25Å; S196-Q562 PolarHBondContact O-N 3.37Å; L197-Q562 WeakPolarHBondContact CA-O 3.44Å; L197-Q562 HydrophobicContact CD1-CB 4.15Å; L198-Q562 PolarHBondContact N-O 3Å; Q562-K588 WeakPolarHBondContact CA-O 3.35Å; Q562-K588 HydrophobicContact CG-CB 4.18Å; Q562-K588 HydrophobicContact CG-CD 4.16Å; Q562-K588 HydrophobicContact CG-CG 4.42Å; Q562-Y590 HydrophobicContact CB-CE2 4.44Å; Q562-A600 PolarHBondContact NE2-O 2.68Å; Q562-A600 PolarHBondContact OE1-O 3.06Å; Q562-T601 PolarHBondContact NE2-O 2.93Å; Q562-T601 VanDerWaalsContact NE2-O 3.14Å; Q562-S602 PolarHBondContact OE1-OG 2.94Å
563L94.1Very high91.1Very high0 Ų040 Ų400%019%0.19CC..EExtended strand (participates in β ladder)trans-125.3121.3-179.6-17869.4000108.5L198 T200 I555 P560 I565 C580 I587 K588 V589 Y590L198-L563 HydrophobicContact CB-CD1 3.99Å; L198-L563 HydrophobicContact CD2-CD1 3.84Å; L198-L563 HydrophobicContact CG-CD1 3.89Å; L198-L563 CarbonylContact O-C 3.52Å; L198-L563 WeakPolarHBondContact O-CA 3.4Å; T200-L563 HydrophobicContact CG2-CD1 3.75Å; I555-L563 HydrophobicContact CG2-CD1 4.32Å; I555-L563 HydrophobicContact CG2-CD2 4.08Å; P560-L563 HydrophobicContact CG-CB 4.45Å; P560-L563 HydrophobicContact CG-CD1 4.33Å; L563-I565 HydrophobicContact CD2-CD1 4.2Å; L563-I565 HydrophobicContact CD2-CG1 4.16Å; L563-I565 HydrophobicContact CG-CG1 4.15Å; L563-C580 HydrophobicContact CD2-CB 3.9Å; L563-I587 HydrophobicContact CB-CG2 4.01Å; L563-K588 PolarHBondContact N-O 2.88Å; L563-V589 HydrophobicContact CB-CG1 4.39Å; L563-V589 HydrophobicContact CB-CG2 4.21Å; L563-V589 HydrophobicContact CD2-CG1 4.02Å; L563-V589 HydrophobicContact CD2-CG2 4.17Å; L563-V589 HydrophobicContact CG-CG1 4.38Å; L563-V589 CarbonylContact O-C 3.54Å; L563-V589 WeakPolarHBondContact O-CA 3.44Å; L563-Y590 PolarHBondContact O-N 2.83Å
564V95.2Very high91.2Very high0 Ų038.1 Ų38.10%019%0.186CC..EExtended strand (participates in β ladder)trans-107.6122.7168.3-177.20000107.9L7 L197 L198 I199 T200 V566 Y590 P592 V598L7-V564 HydrophobicContact CD2-CB 4.38Å; L7-V564 HydrophobicContact CD2-CG1 3.87Å; L197-V564 HydrophobicContact CD1-CB 4.44Å; L197-V564 HydrophobicContact CD1-CG2 3.7Å; L198-V564 PolarHBondContact O-N 3.19Å; I199-V564 WeakPolarHBondContact CA-O 3.36Å; I199-V564 HydrophobicContact CG1-CB 4.41Å; T200-V564 PolarHBondContact N-O 2.78Å; T200-V564 VanDerWaalsContact N-O 3.08Å; V564-V566 HydrophobicContact CG1-CG1 4.09Å; V564-Y590 HydrophobicContact CG2-CD2 4.18Å; V564-Y590 HydrophobicContact CG2-CG 4.46Å; V564-P592 HydrophobicContact CG1-CG 4.08Å; V564-V598 HydrophobicContact CG2-CG1 4.25Å
565I94.6Very high91.3Very high3 Ų339.2 Ų39.22%0.01519%0.193CC..EExtended strand (participates in β ladder)trans-97.4116.4177-63.7166000107.5T200 L563 L576 A577 V589 Y590 T591T200-I565 HydrophobicContact CG2-CG1 4.28Å; L563-I565 HydrophobicContact CD2-CD1 4.2Å; L563-I565 HydrophobicContact CD2-CG1 4.16Å; L563-I565 HydrophobicContact CG-CG1 4.15Å; I565-L576 HydrophobicContact CD1-CB 4.04Å; I565-L576 HydrophobicContact CD1-CD2 3.99Å; I565-L576 HydrophobicContact CD1-CG 3.84Å; I565-L576 HydrophobicContact CG1-CD2 4.02Å; I565-L576 HydrophobicContact CG1-CG 4.4Å; I565-L576 HydrophobicContact CG2-CD2 4.1Å; I565-A577 HydrophobicContact CD1-CB 3.8Å; I565-V589 HydrophobicContact CD1-CG1 3.64Å; I565-V589 HydrophobicContact CG1-CG1 4.33Å; I565-Y590 PolarHBondContact N-O 2.75Å; I565-T591 HydrophobicContact CB-CG2 4.15Å; I565-T591 HydrophobicContact CD1-CG2 4.37Å
566V92.8Very high91.3Very high1 Ų139.1 Ų39.11%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-112175.9173.1-59.90000109.5V13 Y21 V174 I199 T200 D201 S202 V564V13-V566 HydrophobicContact CG2-CB 4.3Å; V13-V566 HydrophobicContact CG2-CG1 4.38Å; Y21-V566 HydrophobicContact CD1-CG1 4.11Å; Y21-V566 HydrophobicContact CE1-CB 3.64Å; Y21-V566 HydrophobicContact CE1-CG1 3.61Å; Y21-V566 HydrophobicContact CE1-CG2 4.11Å; Y21-V566 HydrophobicContact CE2-CG2 4.21Å; Y21-V566 WeakPolarHBondContact OH-CB 3.33Å; Y21-V566 WeakPolarHBondContact OH-CG2 3.27Å; V174-V566 HydrophobicContact CG1-CG2 4.08Å; I199-V566 HydrophobicContact CG2-CG1 4.01Å; I199-V566 HydrophobicContact CG2-CG2 3.94Å; T200-V566 WeakPolarHBondContact O-CG2 3.4Å; T200-V566 PolarHBondContact O-N 2.97Å; D201-V566 CarbonylContact C-O 3.59Å; D201-V566 VanDerWaalsContact CA-O 3.25Å; D201-V566 WeakPolarHBondContact CA-O 3.34Å; S202-V566 PolarHBondContact N-O 2.96Å; S202-V566 PolarHBondContact OG-O 3.4Å; V564-V566 HydrophobicContact CG1-CG1 4.09Å
567H88.8Confident91.4Very high4 Ų436.6 Ų36.62%0.01918%0.179CC..SBendtrans49.1135.5171.3-167.464.2000119.7G12 S17 L19 D201 S202 F203G12-H567 WeakPolarHBondContact O-CA 3.34Å; G12-H567 PolarHBondContact O-N 2.88Å; S17-H567 PolarHBondContact O-CE1 2.87Å; S17-H567 VanDerWaalsContact O-CE1 3.32Å; S17-H567 PolarHBondContact O-ND1 3.46Å; L19-H567 HydrophobicContact CD2-CB 3.63Å; D201-H567 HydrophobicContact CB-CB 4.18Å; S202-H567 CarbonylContact C-O 3.26Å; S202-H567 WeakPolarHBondContact CA-O 3.24Å; S202-H567 PolarHBondContact N-O 2.9Å; S202-H567 PolarHBondContact OG-O 3.37Å; F203-H567 AromaticContact CD2-CD2 3.95Å; F203-H567 AromaticContact CD2-NE2 3.35Å; F203-H567 WeakPolarHBondContact CD2-NE2 3.26Å; F203-H567 AromaticContact CG-NE2 3.96Å; F203-H567 PolarHBondContact N-O 3.14Å
568G88Confident91.5Very high0 Ų037.8 Ų37.80%019%0.185CC..SBendtrans100.7175.3179.900000113.3Q14 E15Q14-G568 CarbonylContact C-O 3.37Å; Q14-G568 WeakPolarHBondContact CA-O 3.39Å; E15-G568 PolarHBondContact N-O 2.67Å; E15-G568 VanDerWaalsContact N-O 3.15Å; E15-G568 PolarHBondContact O-N 3.37Å
569P90.1Very high91.6Very high36 Ų3638.2 Ų38.223%0.23419%0.189CC..  trans-71.7148.7-171.728.7-34000111.8E571 A572 S573P569-E571 PolarHBondContact O-N 2.64Å; P569-E571 VanDerWaalsContact O-N 3.15Å; P569-A572 HydrophobicContact CG-CB 3.93Å; P569-A572 PolarHBondContact O-N 2.86Å; P569-S573 PolarHBondContact O-N 3.49Å; P569-S573 VanDerWaalsContact O-N 3.11Å; P569-S573 PolarHBondContact O-OG 2.95Å
570P90.5Very high91.6Very high59 Ų5933.4 Ų33.438%0.38317%0.169SC..Hα-helixtrans-62.3-30.3-171.624.7-34.3000113.1Q14 A572 S573 L574Q14-P570 HydrophobicContact CB-CB 4.44Å; P570-A572 VanDerWaalsContact C-N 3.32Å; P570-A572 PolarHBondContact O-N 2.83Å; P570-S573 PolarHBondContact O-N 2.88Å; P570-L574 WeakPolarHBondContact O-CB 3.45Å; P570-L574 VanDerWaalsContact O-CG 3.25Å; P570-L574 WeakPolarHBondContact O-CG 3.42Å; P570-L574 PolarHBondContact O-N 2.94Å
571E91.9Very high91.5Very high161 Ų16138.4 Ų38.475%0.75219%0.19SC*.Hα-helixtrans-60.7-40.6173.9-58.9-172.2166.600112.1P569 D575P569-E571 PolarHBondContact O-N 2.64Å; P569-E571 VanDerWaalsContact O-N 3.15Å; E571-D575 WeakPolarHBondContact O-CB 2.74Å; E571-D575 PolarHBondContact O-N 2.88Å
572A91.9Very high91.4Very high0 Ų037.3 Ų37.30%020%0.203CC..Hα-helixtrans-76.5-36.2179.500000111.9S202 A205 T206 P569 P570 L574 L576S202-A572 WeakPolarHBondContact O-CB 3.42Å; A205-A572 HydrophobicContact CB-CB 4.26Å; T206-A572 HydrophobicContact CG2-CB 4.11Å; P569-A572 HydrophobicContact CG-CB 3.93Å; P569-A572 PolarHBondContact O-N 2.86Å; P570-A572 VanDerWaalsContact C-N 3.32Å; P570-A572 PolarHBondContact O-N 2.83Å; A572-L574 VanDerWaalsContact C-N 3.32Å; A572-L574 PolarHBondContact O-N 3.24Å; A572-L576 WeakPolarHBondContact O-CB 3.33Å; A572-L576 PolarHBondContact O-N 2.78Å
573S92.1Very high90.9Very high7 Ų742.4 Ų42.45%0.04923%0.226CC..Hα-helixtrans-62.3-39.6172.6-470000112S202 P569 P570 A577S202-S573 WeakPolarHBondContact OG-CA 3.28Å; S202-S573 PolarHBondContact OG-OG 2.88Å; P569-S573 PolarHBondContact O-N 3.49Å; P569-S573 VanDerWaalsContact O-N 3.11Å; P569-S573 PolarHBondContact O-OG 2.95Å; P570-S573 PolarHBondContact O-N 2.88Å; S573-A577 VanDerWaalsContact O-CB 3.28Å; S573-A577 WeakPolarHBondContact O-CB 3.12Å; S573-A577 PolarHBondContact O-N 3.45Å
574L92.5Very high90Very high102 Ų10243.8 Ų43.853%0.53423%0.234SC..Hα-helixtrans-68.8-48.2176.6-73.4170.3000112.4P570 A572 L576 A577 E578P570-L574 WeakPolarHBondContact O-CB 3.45Å; P570-L574 VanDerWaalsContact O-CG 3.25Å; P570-L574 WeakPolarHBondContact O-CG 3.42Å; P570-L574 PolarHBondContact O-N 2.94Å; A572-L574 VanDerWaalsContact C-N 3.32Å; A572-L574 PolarHBondContact O-N 3.24Å; L574-L576 VanDerWaalsContact C-N 3.32Å; L574-L576 PolarHBondContact O-N 2.54Å; L574-A577 PolarHBondContact O-N 3.43Å; L574-A577 VanDerWaalsContact O-N 3.12Å; L574-E578 PolarHBondContact O-N 2.86Å
575D93.1Very high88.9Confident51 Ų5153.1 Ų53.127%0.27328%0.275SS..Hα-helixtrans-58.5-40.9175.6162.258.9000112.3T206 K552 E571 S579T206-D575 HydrophobicContact CG2-CB 3.91Å; T206-D575 VanDerWaalsContact CG2-OD2 3.3Å; T206-D575 WeakPolarHBondContact CG2-OD2 3.47Å; K552-D575 WeakPolarHBondContact CE-OD2 3.4Å; K552-D575 IonicContact NZ-OD1 3.59Å; K552-D575 PolarHBondContact NZ-OD1 2.81Å; K552-D575 IonicContact NZ-OD2 3.9Å; K552-D575 PolarHBondContact NZ-OD2 3.42Å; E571-D575 WeakPolarHBondContact O-CB 2.74Å; E571-D575 PolarHBondContact O-N 2.88Å; D575-S579 WeakPolarHBondContact O-CB 3.21Å; D575-S579 PolarHBondContact O-N 2.85Å; D575-S579 PolarHBondContact O-OG 2.87Å
576L92.5Very high88.2Confident0 Ų059.6 Ų59.60%031%0.309CS..Hα-helixtrans-63.9-45.3173-171.359000111.6T200 A205 I551 K552 I555 I565 A572 L574 S579 C580T200-L576 HydrophobicContact CG2-CD2 4.39Å; A205-L576 HydrophobicContact CB-CB 3.81Å; A205-L576 HydrophobicContact CB-CD1 4.33Å; A205-L576 HydrophobicContact CB-CD2 4.3Å; A205-L576 HydrophobicContact CB-CG 4.37Å; I551-L576 HydrophobicContact CG2-CD1 4.17Å; I551-L576 HydrophobicContact CG2-CD2 4.5Å; K552-L576 HydrophobicContact CG-CD1 3.71Å; I555-L576 HydrophobicContact CD1-CD1 4.1Å; I555-L576 HydrophobicContact CD1-CD2 4.47Å; I565-L576 HydrophobicContact CD1-CB 4.04Å; I565-L576 HydrophobicContact CD1-CD2 3.99Å; I565-L576 HydrophobicContact CD1-CG 3.84Å; I565-L576 HydrophobicContact CG1-CD2 4.02Å; I565-L576 HydrophobicContact CG1-CG 4.4Å; I565-L576 HydrophobicContact CG2-CD2 4.1Å; A572-L576 WeakPolarHBondContact O-CB 3.33Å; A572-L576 PolarHBondContact O-N 2.78Å; L574-L576 VanDerWaalsContact C-N 3.32Å; L574-L576 PolarHBondContact O-N 2.54Å; L576-S579 PolarHBondContact O-N 3.24Å; L576-C580 WeakPolarHBondContact O-CB 3.43Å; L576-C580 PolarHBondContact O-N 2.91Å; L576-C580 PolarHBondContact O-SG 3.3Å
577A92.6Very high87.9Confident2 Ų260.4 Ų60.42%0.01731%0.314CS..Hα-helixtrans-63.9-43.4-179.200000112.7I565 S573 L574 K581 V589 T591I565-A577 HydrophobicContact CD1-CB 3.8Å; S573-A577 VanDerWaalsContact O-CB 3.28Å; S573-A577 WeakPolarHBondContact O-CB 3.12Å; S573-A577 PolarHBondContact O-N 3.45Å; L574-A577 PolarHBondContact O-N 3.43Å; L574-A577 VanDerWaalsContact O-N 3.12Å; A577-K581 WeakPolarHBondContact O-CB 3.39Å; A577-K581 WeakPolarHBondContact O-CD 3.48Å; A577-K581 WeakPolarHBondContact O-CG 3.26Å; A577-K581 PolarHBondContact O-N 3.2Å; A577-V589 HydrophobicContact CB-CG1 3.95Å; A577-T591 HydrophobicContact CB-CG2 4.05Å
578E91.9Very high87.9Confident140 Ų14064.4 Ų64.465%0.65433%0.331SS*.Hα-helixtrans-66-43.8175.2-69.9-165.6168.500111.5L574 C580 K581 A582L574-E578 PolarHBondContact O-N 2.86Å; E578-C580 PolarHBondContact O-N 2.92Å; E578-K581 PolarHBondContact O-N 3.37Å; E578-A582 WeakPolarHBondContact O-CB 3.3Å; E578-A582 PolarHBondContact O-N 2.59Å
579S90.3Very high88.1Confident21 Ų2165.3 Ų65.315%0.14734%0.337CS..Hα-helixtrans-55.5-49175.1-63.80000111.6K552 D575 L576 A582 F583K552-S579 VanDerWaalsContact CE-OG 3.3Å; K552-S579 WeakPolarHBondContact CE-OG 3.48Å; K552-S579 PolarHBondContact NZ-OG 2.83Å; K552-S579 VanDerWaalsContact NZ-OG 3.12Å; D575-S579 WeakPolarHBondContact O-CB 3.21Å; D575-S579 PolarHBondContact O-N 2.85Å; D575-S579 PolarHBondContact O-OG 2.87Å; L576-S579 PolarHBondContact O-N 3.24Å; S579-A582 PolarHBondContact O-N 3.18Å; S579-F583 WeakPolarHBondContact O-CD2 3.35Å; S579-F583 WeakPolarHBondContact O-CG 3.24Å; S579-F583 PolarHBondContact O-N 3.14Å; S579-F583 VanDerWaalsContact O-N 3.13Å
580C89Confident88.3Confident5 Ų566.4 Ų66.43%0.03434%0.336CS..Hα-helixtrans-65.4-43.5179.9-69.10000112.8L563 L576 E578 A582 F583 T584 V589L563-C580 HydrophobicContact CD2-CB 3.9Å; L576-C580 WeakPolarHBondContact O-CB 3.43Å; L576-C580 PolarHBondContact O-N 2.91Å; L576-C580 PolarHBondContact O-SG 3.3Å; E578-C580 PolarHBondContact O-N 2.92Å; C580-A582 VanDerWaalsContact C-N 3.29Å; C580-A582 PolarHBondContact O-N 2.95Å; C580-F583 PolarHBondContact O-N 3.2Å; C580-T584 PolarHBondContact O-N 3.46Å; C580-V589 HydrophobicContact CB-CG2 4.14Å
581K88.5Confident88.4Confident107 Ų10766 Ų6647%0.46533%0.333SS..Hα-helixtrans-62.3-34.9175.4-70.5166.8-169.21760112.2A577 E578 V589A577-K581 WeakPolarHBondContact O-CB 3.39Å; A577-K581 WeakPolarHBondContact O-CD 3.48Å; A577-K581 WeakPolarHBondContact O-CG 3.26Å; A577-K581 PolarHBondContact O-N 3.2Å; E578-K581 PolarHBondContact O-N 3.37Å; K581-V589 HydrophobicContact CG-CB 4.31Å; K581-V589 HydrophobicContact CG-CG2 4.01Å
582A87.4Confident88.4Confident82 Ų8258.5 Ų58.568%0.67830%0.298SS*.Hα-helixtrans-70.3-36.4177.100000112.9E578 S579 C580E578-A582 WeakPolarHBondContact O-CB 3.3Å; E578-A582 PolarHBondContact O-N 2.59Å; S579-A582 PolarHBondContact O-N 3.18Å; C580-A582 VanDerWaalsContact C-N 3.29Å; C580-A582 PolarHBondContact O-N 2.95Å
583F80.4Confident88.3Confident109 Ų10964.6 Ų64.648%0.47833%0.325SS..Hα-helixtrans-76.3-38.7180-65.6-48.2000113.9K552 N556 S579 C580K552-F583 HydrophobicContact CB-CE2 4.38Å; N556-F583 HydrophobicContact CB-CD2 4.27Å; N556-F583 WeakPolarHBondContact ND2-CG 3.32Å; S579-F583 WeakPolarHBondContact O-CD2 3.35Å; S579-F583 WeakPolarHBondContact O-CG 3.24Å; S579-F583 PolarHBondContact O-N 3.14Å; S579-F583 VanDerWaalsContact O-N 3.13Å; C580-F583 PolarHBondContact O-N 3.2Å
584T75.8Confident88.2Confident30 Ų3069.3 Ų69.318%0.18435%0.349CS..  trans-140.2113.3-179.3-57.80000111.1C580 D586 I587C580-T584 PolarHBondContact O-N 3.46Å; T584-D586 HydrophobicContact CG2-CB 4.48Å; T584-D586 PolarHBondContact O-N 2.85Å; T584-I587 HydrophobicContact CG2-CD1 4.01Å; T584-I587 HydrophobicContact CG2-CG1 3.69Å; T584-I587 PolarHBondContact O-N 2.88Å
585K72.3Confident88Confident195 Ų19568.3 Ų68.385%0.84834%0.341SS*.THydrogen-bonded Turntrans-65.4-19.4-176-66.2-174.6175.1-1750114.9
586D78.9Confident87.9Confident139 Ų13969.6 Ų69.674%0.74335%0.346SS*.THydrogen-bonded Turntrans-95.8-0.3-171.3-48.2-35000113.3T584T584-D586 HydrophobicContact CG2-CB 4.48Å; T584-D586 PolarHBondContact O-N 2.85Å
587I87Confident87.9Confident19 Ų1972.6 Ų72.610%0.09736%0.364CS..  trans-87.1122.5-179.4-54.7-175.6000110P560 L563 T584 V589P560-I587 HydrophobicContact CG-CD1 4.44Å; P560-I587 WeakPolarHBondContact O-CD1 3.46Å; P560-I587 WeakPolarHBondContact O-CG1 3.44Å; L563-I587 HydrophobicContact CB-CG2 4.01Å; T584-I587 HydrophobicContact CG2-CD1 4.01Å; T584-I587 HydrophobicContact CG2-CG1 3.69Å; T584-I587 PolarHBondContact O-N 2.88Å; I587-V589 HydrophobicContact CB-CG2 4.32Å; I587-V589 HydrophobicContact CG2-CG2 3.76Å; I587-V589 PolarHBondContact O-N 3.04Å
588K89.4Confident87.8Confident87 Ų8773 Ų7338%0.37837%0.366SS..EExtended strand (participates in β ladder)trans-74.9113165.5-53.6-178.5-168.4167.90108.1R561 Q562 L563 Y590 T601R561-K588 PolarHBondContact O-N 3.49Å; Q562-K588 WeakPolarHBondContact CA-O 3.35Å; Q562-K588 HydrophobicContact CG-CB 4.18Å; Q562-K588 HydrophobicContact CG-CD 4.16Å; Q562-K588 HydrophobicContact CG-CG 4.42Å; L563-K588 PolarHBondContact N-O 2.88Å; K588-Y590 HydrophobicContact CB-CD2 4.43Å; K588-Y590 HydrophobicContact CB-CE2 3.63Å; K588-Y590 HydrophobicContact CD-CE2 4.43Å; K588-Y590 WeakPolarHBondContact CD-OH 3.39Å; K588-T601 PolarHBondContact NZ-O 3.33Å
589V92.8Very high87.8Confident20 Ų2069.1 Ų69.112%0.12135%0.35CS..EExtended strand (participates in β ladder)trans-109.7123.7177.8-174.60000110.3L563 I565 A577 C580 K581 I587L563-V589 HydrophobicContact CB-CG1 4.39Å; L563-V589 HydrophobicContact CB-CG2 4.21Å; L563-V589 HydrophobicContact CD2-CG1 4.02Å; L563-V589 HydrophobicContact CD2-CG2 4.17Å; L563-V589 HydrophobicContact CG-CG1 4.38Å; L563-V589 CarbonylContact O-C 3.54Å; L563-V589 WeakPolarHBondContact O-CA 3.44Å; I565-V589 HydrophobicContact CD1-CG1 3.64Å; I565-V589 HydrophobicContact CG1-CG1 4.33Å; A577-V589 HydrophobicContact CB-CG1 3.95Å; C580-V589 HydrophobicContact CB-CG2 4.14Å; K581-V589 HydrophobicContact CG-CB 4.31Å; K581-V589 HydrophobicContact CG-CG2 4.01Å; I587-V589 HydrophobicContact CB-CG2 4.32Å; I587-V589 HydrophobicContact CG2-CG2 3.76Å; I587-V589 PolarHBondContact O-N 3.04Å
590Y93.3Very high87.5Confident58 Ų5868.1 Ų68.123%0.22734%0.343CS..EExtended strand (participates in β ladder)trans-115.3143.7-177.9-54.1-101.5000111.1Q562 L563 V564 I565 K588 V598 D599Q562-Y590 HydrophobicContact CB-CE2 4.44Å; L563-Y590 PolarHBondContact O-N 2.83Å; V564-Y590 HydrophobicContact CG2-CD2 4.18Å; V564-Y590 HydrophobicContact CG2-CG 4.46Å; I565-Y590 PolarHBondContact N-O 2.75Å; K588-Y590 HydrophobicContact CB-CD2 4.43Å; K588-Y590 HydrophobicContact CB-CE2 3.63Å; K588-Y590 HydrophobicContact CD-CE2 4.43Å; K588-Y590 WeakPolarHBondContact CD-OH 3.39Å; Y590-V598 HydrophobicContact CD1-CG1 3.41Å; Y590-V598 VanDerWaalsContact CD1-CG1 3.41Å; Y590-V598 HydrophobicContact CD2-CG1 4.2Å; Y590-V598 HydrophobicContact CE1-CG1 3.73Å; Y590-V598 HydrophobicContact CE2-CG1 4.5Å; Y590-V598 HydrophobicContact CG-CG1 3.63Å; Y590-D599 PolarHBondContact OH-O 3.38Å
591T92.4Very high87.3Confident51 Ų5169 Ų6931%0.31335%0.348SS..  trans-133.583.5176.849.20000107.6I565 A577I565-T591 HydrophobicContact CB-CG2 4.15Å; I565-T591 HydrophobicContact CD1-CG2 4.37Å; A577-T591 HydrophobicContact CB-CG2 4.05Å
592P92.4Very high86.4Confident4 Ų466.6 Ų66.63%0.02635%0.345CS..PPolyproline II helixtrans-59.4164.1-178.822.7-33.6000112.6A9 V13 Q14 V564 E596 V598A9-P592 HydrophobicContact CB-CB 4.35Å; V13-P592 HydrophobicContact CG1-CB 4.46Å; V13-P592 HydrophobicContact CG1-CG 4.25Å; V13-P592 WeakPolarHBondContact CG1-O 3.43Å; Q14-P592 PolarHBondContact NE2-O 3.14Å; V564-P592 HydrophobicContact CG1-CG 4.08Å; P592-E596 HydrophobicContact CB-CB 4.23Å; P592-V598 HydrophobicContact CB-CG2 3.89Å; P592-V598 HydrophobicContact CG-CG2 4.34Å
593K90.6Very high85.5Confident128 Ų12867.8 Ų67.856%0.55734%0.337SS*.PPolyproline II helixtrans-98.5171.9160.9-63.4162.8-174.9171.90110.9A9 Q14 Q595 E596A9-K593 WeakPolarHBondContact CB-O 3.26Å; Q14-K593 VanDerWaalsContact NE2-CG 3.32Å; K593-Q595 PolarHBondContact O-N 2.95Å; K593-E596 HydrophobicContact CB-CB 4.21Å; K593-E596 WeakPolarHBondContact CB-OE2 3.18Å; K593-E596 WeakPolarHBondContact CG-OE2 3.31Å; K593-E596 PolarHBondContact N-OE2 3.06Å; K593-E596 VanDerWaalsContact O-CB 3.23Å; K593-E596 WeakPolarHBondContact O-CB 3.22Å; K593-E596 PolarHBondContact O-N 3.34Å; K593-E596 VanDerWaalsContact O-N 3.11Å
594L89.1Confident84.1Confident106 Ų10667.7 Ų67.756%0.55535%0.345SS*.THydrogen-bonded Turntrans-55.8133.5170.4-16970000111.1V10 E596V10-L594 WeakPolarHBondContact O-CD1 3.25Å; L594-E596 PolarHBondContact O-N 2.89Å; L594-E596 VanDerWaalsContact O-N 3.12Å
595Q87.4Confident82.9Confident80 Ų8072.7 Ų72.737%0.37437%0.366SS..THydrogen-bonded Turntrans60.24.6-173.5-61.1-177.716.600116.1A9 S47 R50 K593A9-Q595 WeakPolarHBondContact O-CA 3.43Å; A9-Q595 PolarHBondContact O-N 3.28Å; S47-Q595 PolarHBondContact OG-NE2 2.89Å; R50-Q595 VanDerWaalsContact NH1-OE1 3.08Å; K593-Q595 PolarHBondContact O-N 2.95Å
596E91.6Very high82Confident78 Ų7866 Ų6636%0.36434%0.339SS..  trans-72.6142.8173.6-165.1176.9150.400111T8 A9 P592 K593 L594T8-E596 WeakPolarHBondContact CA-O 3.38Å; A9-E596 PolarHBondContact N-O 3.34Å; P592-E596 HydrophobicContact CB-CB 4.23Å; K593-E596 HydrophobicContact CB-CB 4.21Å; K593-E596 WeakPolarHBondContact CB-OE2 3.18Å; K593-E596 WeakPolarHBondContact CG-OE2 3.31Å; K593-E596 PolarHBondContact N-OE2 3.06Å; K593-E596 VanDerWaalsContact O-CB 3.23Å; K593-E596 WeakPolarHBondContact O-CB 3.22Å; K593-E596 PolarHBondContact O-N 3.34Å; K593-E596 VanDerWaalsContact O-N 3.11Å; L594-E596 PolarHBondContact O-N 2.89Å; L594-E596 VanDerWaalsContact O-N 3.12Å
597T92Very high81.1Confident64 Ų6467.4 Ų67.439%0.39334%0.335SS..EExtended strand (participates in β ladder)trans-111.1114174-59.40000110K6 L7 T8K6-T597 HydrophobicContact CB-CG2 4.01Å; K6-T597 HydrophobicContact CD-CG2 4.15Å; K6-T597 HydrophobicContact CG-CG2 4.48Å; L7-T597 CarbonylContact O-C 3.53Å; L7-T597 WeakPolarHBondContact O-CA 3.46Å; T8-T597 WeakPolarHBondContact CB-OG1 3.35Å; T8-T597 WeakPolarHBondContact CG2-OG1 3.43Å; T8-T597 WeakPolarHBondContact OG1-CG2 3.27Å; T8-T597 PolarHBondContact OG1-OG1 3.47Å
598V92.3Very high79.8Confident9 Ų971.1 Ų71.16%0.05535%0.352CS..EExtended strand (participates in β ladder)trans-87.7120.7175.6171.70000109.2K6 L7 V564 Y590 P592 A600K6-V598 WeakPolarHBondContact CA-O 3.44Å; L7-V598 PolarHBondContact N-O 3.09Å; L7-V598 PolarHBondContact O-N 3.33Å; V564-V598 HydrophobicContact CG2-CG1 4.25Å; Y590-V598 HydrophobicContact CD1-CG1 3.41Å; Y590-V598 VanDerWaalsContact CD1-CG1 3.41Å; Y590-V598 HydrophobicContact CD2-CG1 4.2Å; Y590-V598 HydrophobicContact CE1-CG1 3.73Å; Y590-V598 HydrophobicContact CE2-CG1 4.5Å; Y590-V598 HydrophobicContact CG-CG1 3.63Å; P592-V598 HydrophobicContact CB-CG2 3.89Å; P592-V598 HydrophobicContact CG-CG2 4.34Å; V598-A600 PolarHBondContact O-N 3.03Å
599D89.9Confident78.9Confident60 Ų6069.6 Ų69.632%0.32135%0.35SS..EExtended strand (participates in β ladder)trans-80114.8164.9-160.6-56.2000109.9K6 Y590 T601K6-D599 WeakPolarHBondContact CE-OD2 3.24Å; K6-D599 HydrophobicContact CG-CB 4.45Å; Y590-D599 PolarHBondContact OH-O 3.38Å; D599-T601 VanDerWaalsContact OD1-CB 3.26Å; D599-T601 WeakPolarHBondContact OD1-CB 3.31Å; D599-T601 VanDerWaalsContact OD1-CG2 3.24Å; D599-T601 WeakPolarHBondContact OD1-CG2 3.46Å; D599-T601 PolarHBondContact OD1-N 2.63Å; D599-T601 PolarHBondContact OD1-OG1 3.3Å
600A85.3Confident78Confident0 Ų076 Ų760%037%0.372CS..  trans-109.222.7-178.800000111.9I5 L197 Q562 V598I5-A600 HydrophobicContact CB-CB 4.5Å; I5-A600 HydrophobicContact CG2-CB 4.16Å; I5-A600 CarbonylContact O-C 3.32Å; I5-A600 WeakPolarHBondContact O-CA 3.29Å; I5-A600 PolarHBondContact O-N 3.34Å; L197-A600 HydrophobicContact CD1-CB 4.31Å; L197-A600 HydrophobicContact CD2-CB 4Å; Q562-A600 PolarHBondContact NE2-O 2.68Å; Q562-A600 PolarHBondContact OE1-O 3.06Å; V598-A600 PolarHBondContact O-N 3.03Å
601T84Confident77.2Confident23 Ų2376.8 Ų76.814%0.14138%0.38CS..  trans-60.1143.9171.651.80000112.5I4 Q562 K588 D599 I606I4-T601 HydrophobicContact CG2-CG2 4.47Å; Q562-T601 PolarHBondContact NE2-O 2.93Å; Q562-T601 VanDerWaalsContact NE2-O 3.14Å; K588-T601 PolarHBondContact NZ-O 3.33Å; D599-T601 VanDerWaalsContact OD1-CB 3.26Å; D599-T601 WeakPolarHBondContact OD1-CB 3.31Å; D599-T601 VanDerWaalsContact OD1-CG2 3.24Å; D599-T601 WeakPolarHBondContact OD1-CG2 3.46Å; D599-T601 PolarHBondContact OD1-N 2.63Å; D599-T601 PolarHBondContact OD1-OG1 3.3Å; T601-I606 HydrophobicContact CG2-CD1 4.05Å
602S71Confident76.6Confident57 Ų5778.9 Ų78.940%0.39939%0.385SS..SBendtrans-84.7-34.4179.4-99.20000112.8Q562Q562-S602 PolarHBondContact OE1-OG 2.94Å
603E67.7Low75.7Confident107 Ų10785.3 Ų85.350%0.542%0.419SS..SBendtrans-97.3133176.3-78.6-178.916900112.1T2 H605 I606T2-E603 WeakPolarHBondContact CB-OE2 3.3Å; T2-E603 HydrophobicContact CG2-CG 3.93Å; T2-E603 VanDerWaalsContact CG2-OE2 3.27Å; T2-E603 WeakPolarHBondContact CG2-OE2 3.49Å; T2-E603 PolarHBondContact OG1-OE2 2.99Å; E603-H605 VanDerWaalsContact C-N 3.26Å; E603-H605 PolarHBondContact O-N 3.37Å; E603-I606 HydrophobicContact CB-CD1 4.28Å; E603-I606 HydrophobicContact CB-CG1 4.1Å
604T51.4Low75Confident106 Ų10681.6 Ų81.665%0.6541%0.409SS*.THydrogen-bonded Turntrans-816.1-173.950.30000115.1
605H49.9Very low74.3Confident136 Ų13676.7 Ų76.763%0.6338%0.383SS*.THydrogen-bonded Turntrans-136.829.2-170.6-60.4-47.9000113.3E603 Y607E603-H605 VanDerWaalsContact C-N 3.26Å; E603-H605 PolarHBondContact O-N 3.37Å; H605-Y607 HydrophobicContact CB-CE2 4.07Å; H605-Y607 PolarHBondContact ND1-OH 3.07Å; H605-Y607 WeakPolarHBondContact O-CD2 3.27Å
606I53.6Low73.7Confident54 Ų5476 Ų7628%0.27739%0.385SS..  trans-83.1113.6168.1-50172.4000107.6I4 T601 E603I4-I606 HydrophobicContact CD1-CG2 4.21Å; I4-I606 HydrophobicContact CG1-CG2 3.91Å; T601-I606 HydrophobicContact CG2-CD1 4.05Å; E603-I606 HydrophobicContact CB-CD1 4.28Å; E603-I606 HydrophobicContact CB-CG1 4.1Å
607Y59.7Low73Confident168 Ų16877.2 Ų77.266%0.65940%0.401SS*.  trans-113.3118.1175.3-58.5-78.7000109.3H605 V609H605-Y607 HydrophobicContact CB-CE2 4.07Å; H605-Y607 PolarHBondContact ND1-OH 3.07Å; H605-Y607 WeakPolarHBondContact O-CD2 3.27Å; Y607-V609 PolarHBondContact O-N 2.7Å
608Q59.3Low72Confident97 Ų9777.1 Ų77.145%0.45340%0.403SS..  trans-76108.5173.1-170.7174.924.800108.9I4 I711 P712I4-Q608 HydrophobicContact CD1-CB 4.34Å; Q608-I711 HydrophobicContact CG-CG2 4.31Å; Q608-I711 WeakPolarHBondContact O-CG2 3.48Å; Q608-P712 WeakPolarHBondContact O-CD 3.43Å
609V70.5Confident71.1Confident56 Ų5678 Ų7834%0.33941%0.408SS..  trans-108.2126.8175.8-176.20000108.9Y607 L636 P712 L714Y607-V609 PolarHBondContact O-N 2.7Å; V609-L636 HydrophobicContact CB-CD2 4.38Å; V609-L636 HydrophobicContact CG1-CD2 3.58Å; V609-L636 HydrophobicContact CG2-CD2 3.8Å; V609-P712 WeakPolarHBondContact CA-O 3.46Å; V609-P712 HydrophobicContact CG2-CG 4.21Å; V609-L714 HydrophobicContact CG1-CB 3.98Å; V609-L714 HydrophobicContact CG1-CD1 4.09Å
610R74.1Confident70.2Confident153 Ų15383.2 Ų83.258%0.57743%0.43SS*.EExtended strand (participates in β ladder)trans-87.9120.5174.1-178.8-179.8-66.6-178.4-0109.9I711 P712 T713 L714R610-I711 HydrophobicContact CB-CG2 4.34Å; R610-P712 PolarHBondContact N-O 3.12Å; R610-T713 HydrophobicContact CB-CG2 4.25Å; R610-T713 CarbonylContact O-C 3.57Å; R610-T713 VanDerWaalsContact O-CA 3.26Å; R610-T713 WeakPolarHBondContact O-CA 3.45Å; R610-L714 PolarHBondContact O-N 2.98Å
611L78Confident69.6Low76 Ų7688.9 Ų88.940%0.39846%0.455SS..EExtended strand (participates in β ladder)trans-69.1131.2168.7-54.8-178.6000109.1L615 V616 L714L611-L615 HydrophobicContact CB-CD2 4.36Å; L611-L615 HydrophobicContact CD2-CD2 3.89Å; L611-V616 HydrophobicContact CB-CG2 3.99Å; L611-L714 HydrophobicContact CD2-CB 3.99Å; L611-L714 HydrophobicContact CD2-CD2 4.18Å
612K79.8Confident68.8Low95 Ų9590.3 Ų90.341%0.41347%0.465SS..PPolyproline II helixtrans-78.2141.8176.1-163.5174.1-173.7178.40110.1S614 L615 V616 L714 E715K612-S614 PolarHBondContact O-N 3.35Å; K612-S614 VanDerWaalsContact O-N 3.08Å; K612-L615 WeakPolarHBondContact O-CA 3.45Å; K612-L615 VanDerWaalsContact O-CB 3.31Å; K612-L615 WeakPolarHBondContact O-CB 3.33Å; K612-L615 PolarHBondContact O-N 2.79Å; K612-V616 PolarHBondContact O-N 3.46Å; K612-V616 VanDerWaalsContact O-N 3.15Å; K612-L714 WeakPolarHBondContact CB-O 3.44Å; K612-L714 PolarHBondContact N-O 2.96Å; K612-E715 HydrophobicContact CD-CG 4.33Å; K612-E715 WeakPolarHBondContact CD-OE1 3.3Å; K612-E715 WeakPolarHBondContact CE-OE1 3.24Å; K612-E715 IonicContact NZ-OE1 3.93Å; K612-E715 PolarHBondContact NZ-OE1 2.78Å
613D73.8Confident68.4Low139 Ų13996.4 Ų96.474%0.74348%0.479SS*.Hα-helixtrans-56.4-33-176.7-59.4-39.2000113.1L615 V616 S617D613-L615 VanDerWaalsContact C-N 3.34Å; D613-L615 PolarHBondContact O-N 3.36Å; D613-V616 PolarHBondContact O-N 3.21Å; D613-S617 WeakPolarHBondContact O-CB 3.39Å; D613-S617 PolarHBondContact O-N 3.06Å; D613-S617 PolarHBondContact O-OG 2.75Å
614S74.1Confident67.9Low49 Ų4991.7 Ų91.734%0.34346%0.459SS..Hα-helixtrans-60.4-40.4173.7560000112.8K612 S617 S618K612-S614 PolarHBondContact O-N 3.35Å; K612-S614 VanDerWaalsContact O-N 3.08Å; S614-S617 PolarHBondContact O-OG 3.29Å; S614-S618 PolarHBondContact O-N 2.85Å
615L75.6Confident68.5Low4 Ų493 Ų932%0.02146%0.456CS..Hα-helixtrans-66.1-48.6174.1173.471.1000110.3L611 K612 D613 S617 S618 L619 I632 L714 P716L611-L615 HydrophobicContact CB-CD2 4.36Å; L611-L615 HydrophobicContact CD2-CD2 3.89Å; K612-L615 WeakPolarHBondContact O-CA 3.45Å; K612-L615 VanDerWaalsContact O-CB 3.31Å; K612-L615 WeakPolarHBondContact O-CB 3.33Å; K612-L615 PolarHBondContact O-N 2.79Å; D613-L615 VanDerWaalsContact C-N 3.34Å; D613-L615 PolarHBondContact O-N 3.36Å; L615-S617 VanDerWaalsContact C-N 3.26Å; L615-S617 PolarHBondContact O-N 2.66Å; L615-S618 WeakPolarHBondContact O-CB 3.46Å; L615-S618 PolarHBondContact O-N 2.81Å; L615-S618 PolarHBondContact O-OG 3.18Å; L615-L619 HydrophobicContact CD1-CD2 4.5Å; L615-L619 WeakPolarHBondContact O-CG 3.42Å; L615-L619 PolarHBondContact O-N 3.18Å; L615-I632 HydrophobicContact CD1-CG2 4.38Å; L615-I632 HydrophobicContact CD2-CG2 3.98Å; L615-I632 HydrophobicContact CG-CG2 4.43Å; L615-L714 HydrophobicContact CD2-CB 3.93Å; L615-L714 HydrophobicContact CD2-CD2 3.58Å; L615-L714 HydrophobicContact CD2-CG 4.19Å; L615-P716 HydrophobicContact CB-CB 4.36Å; L615-P716 HydrophobicContact CD1-CB 4.01Å
616V74.9Confident69Low66 Ų6694.2 Ų94.240%0.447%0.467SS..Hα-helixtrans-57.9-40.1179.1-1780000111.2L611 K612 D613 S618 L619L611-V616 HydrophobicContact CB-CG2 3.99Å; K612-V616 PolarHBondContact O-N 3.46Å; K612-V616 VanDerWaalsContact O-N 3.15Å; D613-V616 PolarHBondContact O-N 3.21Å; V616-S618 PolarHBondContact O-N 2.94Å; V616-L619 PolarHBondContact O-N 3.1Å
617S75.8Confident69.3Low102 Ų10296.1 Ų96.171%0.71348%0.481SS*.Hα-helixtrans-69.1-17.2175.976.60000114.8D613 S614 L615D613-S617 WeakPolarHBondContact O-CB 3.39Å; D613-S617 PolarHBondContact O-N 3.06Å; D613-S617 PolarHBondContact O-OG 2.75Å; S614-S617 PolarHBondContact O-OG 3.29Å; L615-S617 VanDerWaalsContact C-N 3.26Å; L615-S617 PolarHBondContact O-N 2.66Å
618S71.1Confident69.9Low62 Ų6293.6 Ų93.643%0.43448%0.475SS..Hα-helixtrans-91.7-10.3-179.973.50000114S614 L615 V616 Q620S614-S618 PolarHBondContact O-N 2.85Å; L615-S618 WeakPolarHBondContact O-CB 3.46Å; L615-S618 PolarHBondContact O-N 2.81Å; L615-S618 PolarHBondContact O-OG 3.18Å; V616-S618 PolarHBondContact O-N 2.94Å; S618-Q620 PolarHBondContact O-N 3.05Å
619L74.4Confident70.3Confident29 Ų2992.3 Ų92.315%0.15247%0.471CS..  trans-68.4120.2-175.8-59.6-174.3000111.7L615 V616 F621 A630 I632L615-L619 HydrophobicContact CD1-CD2 4.5Å; L615-L619 WeakPolarHBondContact O-CG 3.42Å; L615-L619 PolarHBondContact O-N 3.18Å; V616-L619 PolarHBondContact O-N 3.1Å; L619-F621 HydrophobicContact CB-CD2 4.32Å; L619-F621 HydrophobicContact CB-CE2 3.68Å; L619-F621 HydrophobicContact CB-CZ 3.88Å; L619-F621 HydrophobicContact CD1-CZ 3.97Å; L619-F621 WeakPolarHBondContact O-CD2 3.36Å; L619-F621 PolarHBondContact O-N 2.61Å; L619-A630 HydrophobicContact CB-CB 4.03Å; L619-I632 HydrophobicContact CD1-CD1 4.11Å; L619-I632 HydrophobicContact CD1-CG1 4.19Å; L619-I632 HydrophobicContact CD2-CB 4.45Å; L619-I632 HydrophobicContact CD2-CG1 3.89Å; L619-I632 HydrophobicContact CD2-CG2 4.43Å
620Q69.8Low70.5Confident169 Ų16990.8 Ų90.879%0.7946%0.464SS*.  trans-89.7103.3174.1-63.3-171.214.300109.8S618 C622 A630S618-Q620 PolarHBondContact O-N 3.05Å; Q620-C622 PolarHBondContact O-N 2.98Å; Q620-A630 WeakPolarHBondContact O-CB 3.41Å
621F73.7Confident70.4Confident118 Ų11888.2 Ų88.252%0.51846%0.455SS..  trans-79.9109.2-178.8-68.1-84.2000112L619 E628 A630L619-F621 HydrophobicContact CB-CD2 4.32Å; L619-F621 HydrophobicContact CB-CE2 3.68Å; L619-F621 HydrophobicContact CB-CZ 3.88Å; L619-F621 HydrophobicContact CD1-CZ 3.97Å; L619-F621 WeakPolarHBondContact O-CD2 3.36Å; L619-F621 PolarHBondContact O-N 2.61Å; F621-E628 HydrophobicContact CB-CB 4.39Å; F621-E628 HydrophobicContact CD1-CB 4.26Å; F621-A630 HydrophobicContact CD1-CB 3.95Å; F621-A630 HydrophobicContact CE1-CB 4.08Å; F621-A630 HydrophobicContact CG-CB 4.37Å
622C67.3Low70.3Confident54 Ų5488.4 Ų88.437%0.36546%0.455SS..EExtended strand (participates in β ladder)trans-80.4123.4167.4-74.40000110Q620 L629 V796Q620-C622 PolarHBondContact O-N 2.98Å; C622-L629 PolarHBondContact N-O 2.86Å; C622-L629 PolarHBondContact O-N 3.48Å; C622-V796 HydrophobicContact CB-CG1 4.04Å; C622-V796 HydrophobicContact CB-CG2 3.67Å
623R62Low70.1Confident184 Ų18486.1 Ų86.169%0.69445%0.447SS*.EExtended strand (participates in β ladder)trans-90.6114.9-176.7-173.4169.8179.2146-5.5112.1E628R623-E628 HydrophobicContact CB-CG 4.28Å; R623-E628 HydrophobicContact CG-CG 4.09Å; R623-E628 IonicContact CZ-OE1 2.88Å; R623-E628 IonicContact NH1-OE1 3.14Å; R623-E628 PolarHBondContact NH1-OE1 3.03Å
624A58.1Low70.3Confident8 Ų880.8 Ų80.87%0.06643%0.425CS..EExtended strand (participates in β ladder)trans-111.586.1-178.300000110.7D626 T627 A794A624-D626 PolarHBondContact O-N 3.35Å; A624-T627 CarbonylContact C-O 3.46Å; A624-T627 PolarHBondContact N-O 3.47Å; A624-T627 PolarHBondContact O-N 3.22Å; A624-T627 PolarHBondContact O-OG1 3.25Å; A624-A794 HydrophobicContact CB-CB 3.61Å
625K64.2Low70.6Confident135 Ų13582.1 Ų82.159%0.58743%0.431SS*.THydrogen-bonded Turntrans59.3-99-173.6-56.2168.8-179.2169.80111.7N731K625-N731 PolarHBondContact NZ-OD1 2.77Å
626D59.5Low70.8Confident161 Ų16186.3 Ų86.386%0.86145%0.453SS*.THydrogen-bonded Turntrans-105-3.6-172.8-51.9-50.8000112.6A624A624-D626 PolarHBondContact O-N 3.35Å
627T59.1Low70.9Confident93 Ų9385.1 Ų85.157%0.57144%0.444SS*.EExtended strand (participates in β ladder)trans-119.6152175.656.50000111.7A624A624-T627 CarbonylContact C-O 3.46Å; A624-T627 PolarHBondContact N-O 3.47Å; A624-T627 PolarHBondContact O-N 3.22Å; A624-T627 PolarHBondContact O-OG1 3.25Å
628E72.4Confident70.6Confident115 Ų11586.4 Ų86.454%0.53744%0.441SS..EExtended strand (participates in β ladder)trans-113.6140.2173.7-67179.6170.600108.5F621 R623F621-E628 HydrophobicContact CB-CB 4.39Å; F621-E628 HydrophobicContact CD1-CB 4.26Å; R623-E628 HydrophobicContact CB-CG 4.28Å; R623-E628 HydrophobicContact CG-CG 4.09Å; R623-E628 IonicContact CZ-OE1 2.88Å; R623-E628 IonicContact NH1-OE1 3.14Å; R623-E628 PolarHBondContact NH1-OE1 3.03Å
629L67.9Low69.9Low71 Ų7193.9 Ų93.937%0.37246%0.459SS..EExtended strand (participates in β ladder)trans-141.1136.1-173.8-173.8144.1000110.5C622 I730 V796C622-L629 PolarHBondContact N-O 2.86Å; C622-L629 PolarHBondContact O-N 3.48Å; L629-I730 HydrophobicContact CD1-CD1 3.94Å; L629-I730 HydrophobicContact CD2-CD1 4.33Å; L629-V796 HydrophobicContact CD2-CB 4.27Å; L629-V796 HydrophobicContact CD2-CG1 3.91Å; L629-V796 HydrophobicContact CD2-CG2 4.38Å
630A74.1Confident68.7Low23 Ų2394.9 Ų94.919%0.1947%0.466CS..  trans-133.9150.1175.200000109.6L619 Q620 F621L619-A630 HydrophobicContact CB-CB 4.03Å; Q620-A630 WeakPolarHBondContact O-CB 3.41Å; F621-A630 HydrophobicContact CD1-CB 3.95Å; F621-A630 HydrophobicContact CE1-CB 4.08Å; F621-A630 HydrophobicContact CG-CB 4.37Å
631W73.2Confident67.5Low100 Ų10091.6 Ų91.638%0.37946%0.458SS..  trans-76.1145.8164.3-69.8108.1000109.9H725 V728 V796W631-H725 WeakPolarHBondContact CB-NE2 3.18Å; W631-H725 AromaticContact CD1-CD2 3.35Å; W631-H725 AromaticContact CD1-CG 3.69Å; W631-H725 AromaticContact CD1-NE2 3.78Å; W631-H725 HydrophobicContact CD2-CB 4.21Å; W631-H725 AromaticContact CD2-CG 3.77Å; W631-H725 AromaticContact CD2-ND1 3.74Å; W631-H725 AromaticContact CE2-CG 3.79Å; W631-H725 HydrophobicContact CG-CB 4.49Å; W631-H725 AromaticContact CG-CD2 3.56Å; W631-H725 AromaticContact CG-CE1 3.73Å; W631-H725 AromaticContact CG-CG 3.74Å; W631-H725 AromaticContact CG-ND1 3.82Å; W631-H725 AromaticContact CG-NE2 3.57Å; W631-H725 HydrophobicContact CZ2-CB 4Å; W631-H725 AromaticContact NE1-CD2 3.77Å; W631-H725 AromaticContact NE1-CG 3.7Å; W631-V728 HydrophobicContact CH2-CG2 3.9Å; W631-V728 HydrophobicContact CZ2-CG2 3.74Å; W631-V796 PolarHBondContact NE1-OXT 2.67Å
632I76Confident65.7Low79 Ų7995.3 Ų95.341%0.40547%0.474SS..  trans-129.398.8178.3-50.4-176.6000108.4L615 L619 L714L615-I632 HydrophobicContact CD1-CG2 4.38Å; L615-I632 HydrophobicContact CD2-CG2 3.98Å; L615-I632 HydrophobicContact CG-CG2 4.43Å; L619-I632 HydrophobicContact CD1-CD1 4.11Å; L619-I632 HydrophobicContact CD1-CG1 4.19Å; L619-I632 HydrophobicContact CD2-CB 4.45Å; L619-I632 HydrophobicContact CD2-CG1 3.89Å; L619-I632 HydrophobicContact CD2-CG2 4.43Å; I632-L714 HydrophobicContact CG2-CD2 4.1Å
633D75.4Confident64.2Low48 Ų4898.6 Ų98.626%0.25749%0.492SS..  trans-110.6136.9174.1-79.813.5000109.2L717 P723 H725D633-L717 HydrophobicContact CB-CD1 4.11Å; D633-P723 VanDerWaalsContact OD2-CD 3.31Å; D633-P723 WeakPolarHBondContact OD2-CD 3.47Å; D633-P723 WeakPolarHBondContact OD2-CG 3.24Å; D633-H725 IonicContact OD1-CE1 3.3Å; D633-H725 IonicContact OD2-CE1 3.72Å; D633-H725 PolarHBondContact OD2-CE1 2.91Å; D633-H725 VanDerWaalsContact OD2-CE1 3.29Å
634G77.8Confident62.7Low26 Ų2697 Ų9727%0.26850%0.497SS..EExtended strand (participates in β ladder)trans-171.3163.7179.700000114.2E715G634-E715 CarbonylContact C-O 3.6Å; G634-E715 WeakPolarHBondContact CA-O 3.18Å
635V80.9Confident61.4Low78 Ų78102.4 Ų102.447%0.47353%0.53SS..EExtended strand (participates in β ladder)trans-90.6136.4175.4-175.50000109.3D637 L714 E715 L717V635-D637 PolarHBondContact O-N 3.42Å; V635-L714 WeakPolarHBondContact O-CA 3.33Å; V635-E715 PolarHBondContact N-O 3.21Å; V635-E715 PolarHBondContact O-N 2.69Å; V635-L717 HydrophobicContact CG2-CD2 3.58Å; V635-L717 HydrophobicContact CG2-CG 3.92Å
636L79.1Confident60Low91 Ų91100 Ų10048%0.47654%0.543SS..EExtended strand (participates in β ladder)trans-79.1111.6168.5-75.9162.8000109.6V609 P712 L714V609-L636 HydrophobicContact CB-CD2 4.38Å; V609-L636 HydrophobicContact CG1-CD2 3.58Å; V609-L636 HydrophobicContact CG2-CD2 3.8Å; L636-P712 HydrophobicContact CD2-CB 4.19Å; L636-L714 HydrophobicContact CD2-CD1 3.68Å; L636-L714 HydrophobicContact CG-CD1 3.83Å
637D77.2Confident58.5Low42 Ų4298.3 Ų98.323%0.22554%0.538CS..EExtended strand (participates in β ladder)trans-86.2131161.2-171.618.9000110.3V635 R639 P712 T713 E715V635-D637 PolarHBondContact O-N 3.42Å; D637-R639 VanDerWaalsContact OD1-CB 3.31Å; D637-R639 WeakPolarHBondContact OD1-CB 3.41Å; D637-R639 VanDerWaalsContact OD1-CG 3.25Å; D637-R639 WeakPolarHBondContact OD1-CG 3.36Å; D637-R639 PolarHBondContact OD1-N 3.38Å; D637-R639 VanDerWaalsContact OD1-N 3.07Å; D637-P712 VanDerWaalsContact O-CA 3.29Å; D637-P712 WeakPolarHBondContact O-CA 3.23Å; D637-P712 WeakPolarHBondContact O-CB 3.01Å; D637-T713 PolarHBondContact N-O 3.4Å; D637-T713 PolarHBondContact O-N 2.94Å; D637-E715 HydrophobicContact CB-CG 4.45Å
638M68.7Low57.1Low129 Ų129102 Ų10264%0.63555%0.554SS**  trans-106.310.6-177.5-62.9-72.3-6300111.8P712M638-P712 HydrophobicContact SD-CB 3.75Å; M638-P712 HydrophobicContact SD-CG 4.34Å
639R57.8Low55Low218 Ų218102 Ų10282%0.82356%0.563SS**  trans-107.5-3.2-169-61.4172.3178.6-172.50.7115D637 V641D637-R639 VanDerWaalsContact OD1-CB 3.31Å; D637-R639 WeakPolarHBondContact OD1-CB 3.41Å; D637-R639 VanDerWaalsContact OD1-CG 3.25Å; D637-R639 WeakPolarHBondContact OD1-CG 3.36Å; D637-R639 PolarHBondContact OD1-N 3.38Å; D637-R639 VanDerWaalsContact OD1-N 3.07Å; R639-V641 PolarHBondContact O-N 3.14Å
640V49.8Very low53.1Low50 Ų50108.1 Ų108.130%0.30359%0.59SS.*  trans-86.399.8-170-174.50000112T713V640-T713 HydrophobicContact CB-CG2 4.37Å; V640-T713 HydrophobicContact CG1-CG2 4.47Å; V640-T713 HydrophobicContact CG2-CG2 4.3Å
641V44.2Very low51Low101 Ų101116.4 Ų116.461%0.61263%0.625SS**  trans-69.1151.3158.5-179.90000109R639 V643R639-V641 PolarHBondContact O-N 3.14Å; V641-V643 PolarHBondContact O-N 3.09Å; V641-V643 VanDerWaalsContact O-N 3.17Å
642K35.5Very low48.7Very low196 Ų196115.1 Ų115.185%0.85264%0.643SS**  trans-45120.4-179.9-71.9177.9179.31730112.5
643V34.7Very low46.3Very low123 Ų123120.2 Ų120.275%0.74567%0.667SS**PPolyproline II helixtrans-92.5132155.9-175.90000107.3V641V641-V643 PolarHBondContact O-N 3.09Å; V641-V643 VanDerWaalsContact O-N 3.17Å
644D31.2Very low44Very low149 Ų149124.9 Ų124.980%0.79770%0.697SS**PPolyproline II helixtrans-64.3152.2-178.7-93.8-45.8000112.9G646D644-G646 PolarHBondContact O-N 2.94Å
645T31.6Very low41.6Very low123 Ų123133 Ų13376%0.75573%0.725SS**PPolyproline II helixtrans-64.8120.3175.847.60000110.4V647T645-V647 PolarHBondContact O-N 3Å
646G33.6Very low38.9Very low85 Ų85132.7 Ų132.788%0.87674%0.737SS**  trans-63.592.1-178.400000113.7D644D644-G646 PolarHBondContact O-N 2.94Å
647V29.1Very low36.4Very low124 Ų124137.9 Ų137.975%0.75276%0.759SS**  trans-120.8115.9162.8-179.30000106.6T645 P649T645-V647 PolarHBondContact O-N 3Å; V647-P649 WeakPolarHBondContact O-CD 3.48Å
648L28.8Very low33.9Very low171 Ų171146.1 Ų146.190%0.89579%0.793SS**PPolyproline II helixtrans-71.4125-175.7-67.8164.4000111.4
649P28Very low31.9Very low114 Ų114143.5 Ų143.574%0.7480%0.799SS**PPolyproline II helixtrans-83.8142.3153.11.719000109.2V647V647-P649 WeakPolarHBondContact O-CD 3.48Å
650E28.8Very low30.4Very low200 Ų200140 Ų14094%0.93580%0.802SS**PPolyproline II helixtrans-74.9127.9170.3-63.8-176.4124.300110.3G652E650-G652 PolarHBondContact O-N 3.49Å
651E29.5Very low29.2Very low198 Ų198140.9 Ų140.993%0.92582%0.821SS**PPolyproline II helixtrans-78.9116.6176.9-73-164.4144.600112.2
652G26.1Very low28.3Very low73 Ų73145.7 Ų145.775%0.75384%0.837SS**PPolyproline II helixtrans-75.6133.2166.200000112.1E650 V654E650-G652 PolarHBondContact O-N 3.49Å; G652-V654 PolarHBondContact O-N 3.17Å
653M24.9Very low27.8Very low185 Ų185144.8 Ų144.891%0.91184%0.836SS**PPolyproline II helixtrans-59.5129.4-177.6-67.4-175.8175.400114.6
654V27.7Very low27.4Very low146 Ų146145.9 Ų145.989%0.88584%0.842SS**  trans-135.7151.3149.7-173.20000109.3G652G652-V654 PolarHBondContact O-N 3.17Å
655K26.4Very low27.3Very low197 Ų197143.6 Ų143.686%0.85783%0.834SS**  trans-117.1149.4-174.6-68.9174176.6170.90112.5
656G24.5Very low27.1Very low71 Ų71146.1 Ų146.173%0.73284%0.837SS**  trans120.7147159.700000113.9
657E26.9Very low26.8Very low201 Ų201148.8 Ų148.894%0.93983%0.831SS**  cis-144.5-173.7-7.6-78.9-155103.600110.8
658K25.3Very low26.6Very low215 Ų215147 Ų14794%0.93582%0.824SS**  trans-93.7150.1-169.8-60.1172.7178.41760113.5
659G25.5Very low26.5Very low73 Ų73146.7 Ų146.775%0.75382%0.818SS**  trans-162.4123.4164.300000113.3
660T26.2Very low26.5Very low144 Ų144148.4 Ų148.488%0.88382%0.82SS**  trans-42.6147.6169.946.40000114.2
661G24.6Very low26.3Very low69 Ų69142.4 Ų142.471%0.71181%0.805SS**  76.2127.162.200000109.4
662E26.1Very low26.1Very low202 Ų202141.2 Ų141.294%0.94480%0.801SS**  cis-139.3170.535-69.5166.2134.700115.1
663E25.4Very low26.1Very low177 Ų177144 Ų14483%0.82780%0.799SS**  trans-55.5148.1173.7-60.7164.1173.900117.2
664V26.3Very low26.3Very low146 Ų146141.5 Ų141.589%0.88579%0.794SS**  trans-141138.9137.6-177.80000107.7
665V28.1Very low26.3Very low101 Ų101140.4 Ų140.461%0.61279%0.788SS**  trans-139136.7-175174.50000109.3
666E28Very low26.9Very low177 Ų177136.9 Ų136.983%0.82779%0.785SS**  trans62152.9161.9-74.5165-156.700118.6
667D25.9Very low27Very low141 Ų141137.6 Ų137.675%0.75478%0.784SS**  cis-163.8178.9-29.7-156.7-3.6000109.4
668S26Very low26.9Very low87 Ų87135.5 Ų135.561%0.60878%0.779SS**  trans74.9114.1144.2690000121
669E26.8Very low27Very low163 Ų163132.4 Ų132.476%0.76277%0.773SS**  78119.3122.6-69-164.9167.400123.8
670L26.9Very low27.1Very low151 Ų151132.5 Ų132.579%0.79177%0.767SS**  65.3150.5129.6-56.7170.9000120.2
671A24.6Very low27.1Very low74 Ų74131.7 Ų131.761%0.61276%0.761SS**  cis-170.8166.8-25.500000109
672M27Very low27.3Very low172 Ų172135.8 Ų135.885%0.84777%0.773SS**  trans68.1113.6169.2-49.4-170.576.200115.3
673D25.9Very low27.3Very low132 Ų132132.4 Ų132.471%0.70676%0.761SS**  80.8100.360.1-176.331.8000114.1
674V27.5Very low27.2Very low133 Ų133131.4 Ų131.481%0.80676%0.756SS**  trans-146.6125.7147.8-177.50000108.4
675T29.3Very low27.3Very low123 Ų123129.8 Ų129.876%0.75575%0.751SS**  trans-115.7155.9152.359.80000108.9
676P37.6Very low27.5Very low123 Ų123131.3 Ų131.380%0.79976%0.761SS**  -142.4-179.896.435.3-18.2000113.9
677A26.6Very low27.7Very low85 Ų85129.3 Ų129.370%0.70276%0.76SS**  trans-89.2174.2-178.900000113.3
678D26.4Very low27.9Very low157 Ų157127.2 Ų127.284%0.8476%0.762SS**  -168.2163124.7-97.6-22.8000113.9
679D26.9Very low28.3Very low151 Ų151132.2 Ų132.281%0.80778%0.776SS**  trans57.397.1161.8-82.4-15.9000124.1
680A26.5Very low28.5Very low75 Ų75133.3 Ų133.362%0.6278%0.781SS**  62.8109.7102.200000122.8
681T26.3Very low28.8Very low126 Ų126138 Ų13877%0.77379%0.789SS**  trans49118.1132.461.10000121.4
682T28.9Very low29.3Very low155 Ų155139 Ų13995%0.95180%0.797SS**  -159.7168.1115.53.30000113.2
683D26.4Very low29.4Very low132 Ų132139.9 Ų139.971%0.70680%0.801SS**  trans-103.5165.2-149.8-122.3-46.4000116.7
684H24.4Very low29.5Very low156 Ų156143.2 Ų143.272%0.72281%0.809SS**  trans81135.9143.4-74.15.1000124.4
685S27.8Very low29.9Very low111 Ų111143.7 Ų143.778%0.77681%0.812SS**  trans8442.7130.972.60000123.4
686V32.4Very low30.1Very low134 Ų134144.2 Ų144.281%0.81281%0.81SS**SBendtrans-135.3165145.2-141.70000111.3
687V30.6Very low29.6Very low134 Ų134147.7 Ų147.781%0.81281%0.813SS**SBendtrans67.929.3175.1-150.60000116.2
688A31.1Very low29.5Very low97 Ų97147.1 Ų147.180%0.80282%0.815SS**  trans-94.90168.200000114.5
689Q33.9Very low29.6Very low192 Ų192148.8 Ų148.890%0.89782%0.818SS**SBendtrans-127.353.6-174.6-74.5-172.2-34.800113.5
690Q31.5Very low29.5Very low187 Ų187149.2 Ų149.287%0.87482%0.82SS**SBendtrans-146.720.7164.9-120.1168.412.100114
691R32.9Very low29.8Very low250 Ų250152.3 Ų152.394%0.94383%0.831SS**SBendtrans-115.137.3-174.4-144.2175.4-167.1179.93.5113.5
692A35.6Very low29.8Very low94 Ų94156.6 Ų156.678%0.77783%0.833SS**SBendtrans-155.347.3-178.400000114.4
693M29.7Very low29.7Very low191 Ų191158.4 Ų158.494%0.94183%0.83SS**SBendtrans-172.952.7160.4-111178.7-175.700112.5
694K28.2Very low29.8Very low201 Ų201158.3 Ų158.387%0.87483%0.829SS**  trans-146.224.8169.5-137.5-175.3-179.1-166.80115.3L696K694-L696 PolarHBondContact O-N 3.29Å
695T34.6Very low29.9Very low143 Ų143156.1 Ų156.188%0.87783%0.832SS**  trans-90.879.2162.532.90000109
696L33.4Very low30.1Very low135 Ų135159.1 Ų159.171%0.70783%0.833SS**SBendtrans-168.1128.7169.1-104.3157.5000107K694K694-L696 PolarHBondContact O-N 3.29Å
697F26.8Very low30.1Very low196 Ų196161.7 Ų161.786%0.8684%0.836SS**SBendtrans70.599.1-177.8-49.7-73.5000117.3
698G25.6Very low30.6Very low72 Ų72158.9 Ų158.974%0.74282%0.823SS**  trans63.1116130.800000120.7
699E27.2Very low31.2Very low192 Ų192160.2 Ų160.290%0.89782%0.816SS**  -169124.999.3-101.5173.6-17500110
700D26.6Very low32.4Very low161 Ų161154 Ų15486%0.86179%0.792SS**  trans-87114.4-177.3-64.1-70.1000111.4R702D700-R702 PolarHBondContact O-N 3.41Å
701V31.4Very low34Very low139 Ų139147.8 Ų147.884%0.84276%0.764SS**  trans-82.1116.6171.7-179.80000109.1E703V701-E703 PolarHBondContact O-N 3.41Å
702R26.6Very low36Very low216 Ų216136.7 Ų136.782%0.81572%0.724SS**  trans-72.6112.4178-66.2173.3174.8167.4-4.5111.1D700 L704D700-R702 PolarHBondContact O-N 3.41Å; R702-L704 HydrophobicContact CB-CG 4.42Å; R702-L704 PolarHBondContact O-N 3.13Å
703E27.1Very low38.1Very low193 Ų193133 Ų13390%0.90269%0.692SS**  trans-78.299.2154.8-69.9-173.7153.600108.3V701V701-E703 PolarHBondContact O-N 3.41Å
704L27.9Very low40.5Very low130 Ų130125 Ų12568%0.68165%0.653SS**  trans-89.7105.2170.6-82.9163.4000109.1R702 E706R702-L704 HydrophobicContact CB-CG 4.42Å; R702-L704 PolarHBondContact O-N 3.13Å; L704-E706 PolarHBondContact O-N 2.9Å; L704-E706 VanDerWaalsContact O-N 3.08Å
705S26.7Very low43Very low110 Ų110118.7 Ų118.777%0.76963%0.626SS**  trans-77.980.9174.258.80000111E707S705-E707 PolarHBondContact O-N 3.32Å
706E32.7Very low44.8Very low174 Ų174114.3 Ų114.381%0.81360%0.601SS**  trans-77.567.8171.4-67.1-169.5160.200111.3L704 S708L704-E706 PolarHBondContact O-N 2.9Å; L704-E706 VanDerWaalsContact O-N 3.08Å; E706-S708 PolarHBondContact O-N 3.34Å
707E32.8Very low46.7Very low188 Ų188109.9 Ų109.988%0.87958%0.578SS**  trans-73.981.5165.2-70.7-164.9157.500109.7S705S705-E707 PolarHBondContact O-N 3.32Å
708S39.6Very low48.7Very low76 Ų76103.2 Ų103.253%0.53155%0.554SS.*  trans-68.5131.1170.663.30000110.6E706 V710E706-S708 PolarHBondContact O-N 3.34Å; S708-V710 WeakPolarHBondContact O-CG2 3.46Å; S708-V710 PolarHBondContact O-N 3.35Å
709D44.8Very low50.4Low124 Ų124104.4 Ų104.466%0.66356%0.557SS**  trans-53.494.2171.6-99.3-14.5000110.6K6 I711K6-D709 IonicContact NZ-OD1 2.73Å; K6-D709 PolarHBondContact NZ-OD1 3.21Å; K6-D709 IonicContact NZ-OD2 3.62Å; K6-D709 PolarHBondContact NZ-OD2 2.99Å; D709-I711 PolarHBondContact O-N 2.79Å
710V58.5Low52.1Low62 Ų62102.8 Ų102.838%0.37655%0.549SS..  trans-81.2104.1173.9-179.70000108.5S708 P712S708-V710 WeakPolarHBondContact O-CG2 3.46Å; S708-V710 PolarHBondContact O-N 3.35Å; V710-P712 VanDerWaalsContact O-CD 3.27Å; V710-P712 WeakPolarHBondContact O-CD 3.3Å
711I66.1Low53.9Low56 Ų56100.6 Ų100.629%0.28753%0.533SS..  trans-83.8110175.9-58.9176.9000108Q608 R610 D709Q608-I711 HydrophobicContact CG-CG2 4.31Å; Q608-I711 WeakPolarHBondContact O-CG2 3.48Å; R610-I711 HydrophobicContact CB-CG2 4.34Å; D709-I711 PolarHBondContact O-N 2.79Å
712P74.6Confident55.4Low18 Ų1897.8 Ų97.812%0.11751%0.513CS..  trans-63.7148.2-179.226-35.6000112.4Q608 V609 R610 L636 D637 M638 V710Q608-P712 WeakPolarHBondContact O-CD 3.43Å; V609-P712 WeakPolarHBondContact CA-O 3.46Å; V609-P712 HydrophobicContact CG2-CG 4.21Å; R610-P712 PolarHBondContact N-O 3.12Å; L636-P712 HydrophobicContact CD2-CB 4.19Å; D637-P712 VanDerWaalsContact O-CA 3.29Å; D637-P712 WeakPolarHBondContact O-CA 3.23Å; D637-P712 WeakPolarHBondContact O-CB 3.01Å; M638-P712 HydrophobicContact SD-CB 3.75Å; M638-P712 HydrophobicContact SD-CG 4.34Å; V710-P712 VanDerWaalsContact O-CD 3.27Å; V710-P712 WeakPolarHBondContact O-CD 3.3Å
713T79.2Confident57.2Low15 Ų1591.2 Ų91.29%0.09250%0.498CS..EExtended strand (participates in β ladder)trans-110.5136.5178.351.70000111.4R610 D637 V640R610-T713 HydrophobicContact CB-CG2 4.25Å; R610-T713 CarbonylContact O-C 3.57Å; R610-T713 VanDerWaalsContact O-CA 3.26Å; R610-T713 WeakPolarHBondContact O-CA 3.45Å; D637-T713 PolarHBondContact N-O 3.4Å; D637-T713 PolarHBondContact O-N 2.94Å; V640-T713 HydrophobicContact CB-CG2 4.37Å; V640-T713 HydrophobicContact CG1-CG2 4.47Å; V640-T713 HydrophobicContact CG2-CG2 4.3Å
714L81.3Confident58.9Low25 Ų2585.8 Ų85.813%0.13149%0.494CS..EExtended strand (participates in β ladder)trans-87.3118.3171.8-145.789000110.2V609 R610 L611 K612 L615 I632 V635 L636V609-L714 HydrophobicContact CG1-CB 3.98Å; V609-L714 HydrophobicContact CG1-CD1 4.09Å; R610-L714 PolarHBondContact O-N 2.98Å; L611-L714 HydrophobicContact CD2-CB 3.99Å; L611-L714 HydrophobicContact CD2-CD2 4.18Å; K612-L714 WeakPolarHBondContact CB-O 3.44Å; K612-L714 PolarHBondContact N-O 2.96Å; L615-L714 HydrophobicContact CD2-CB 3.93Å; L615-L714 HydrophobicContact CD2-CD2 3.58Å; L615-L714 HydrophobicContact CD2-CG 4.19Å; I632-L714 HydrophobicContact CG2-CD2 4.1Å; V635-L714 WeakPolarHBondContact O-CA 3.33Å; L636-L714 HydrophobicContact CD2-CD1 3.68Å; L636-L714 HydrophobicContact CG-CD1 3.83Å
715E78.9Confident60.7Low67 Ų6783 Ų8331%0.31348%0.477SS..EExtended strand (participates in β ladder)trans-100.3145.4176.6-57.2-139.3125.600111.3K612 G634 V635 D637 L717K612-E715 HydrophobicContact CD-CG 4.33Å; K612-E715 WeakPolarHBondContact CD-OE1 3.3Å; K612-E715 WeakPolarHBondContact CE-OE1 3.24Å; K612-E715 IonicContact NZ-OE1 3.93Å; K612-E715 PolarHBondContact NZ-OE1 2.78Å; G634-E715 CarbonylContact C-O 3.6Å; G634-E715 WeakPolarHBondContact CA-O 3.18Å; V635-E715 PolarHBondContact N-O 3.21Å; V635-E715 PolarHBondContact O-N 2.69Å; D637-E715 HydrophobicContact CB-CG 4.45Å; E715-L717 PolarHBondContact O-N 2.67Å
716P73.6Confident62.2Low52 Ų5285.9 Ų85.934%0.33848%0.479SS..EExtended strand (participates in β ladder)trans-67.1131.4179.628.2-33.3000111.7L615L615-P716 HydrophobicContact CB-CB 4.36Å; L615-P716 HydrophobicContact CD1-CB 4.01Å
717L73.2Confident63.5Low42 Ų4280.9 Ų80.922%0.2246%0.463CS..PPolyproline II helixtrans-65142.3173.2-90.8160.2000111.1D633 V635 E715 A719 E721 I722D633-L717 HydrophobicContact CB-CD1 4.11Å; V635-L717 HydrophobicContact CG2-CD2 3.58Å; V635-L717 HydrophobicContact CG2-CG 3.92Å; E715-L717 PolarHBondContact O-N 2.67Å; L717-A719 PolarHBondContact O-N 2.9Å; L717-E721 HydrophobicContact CD2-CB 4.15Å; L717-I722 HydrophobicContact CB-CG1 4.17Å
718P68.3Low64.8Low56 Ų5675.1 Ų75.136%0.36444%0.44SS..PPolyproline II helixtrans-57.1138.9170.3-23.834.7000111.2H720 E721P718-H720 WeakPolarHBondContact CB-CE1 3.22Å; P718-H720 PolarHBondContact O-N 3.33Å; P718-E721 PolarHBondContact O-N 3.23Å
719A61Low65.9Low97 Ų9776.5 Ų76.580%0.80244%0.437SS*.THydrogen-bonded Turntrans-644.1-173.800000116.1L717L717-A719 PolarHBondContact O-N 2.9Å
720H63.4Low66.5Low158 Ų15872.6 Ų72.673%0.73142%0.415SS*.THydrogen-bonded Turntrans-106.6-8.4172.763-87.4000113.6P718P718-H720 WeakPolarHBondContact CB-CE1 3.22Å; P718-H720 PolarHBondContact O-N 3.33Å
721E63.4Low66.4Low115 Ų11572.6 Ų72.654%0.53741%0.413SS..THydrogen-bonded Turntrans-108.8-8.8178.5-59.3-169.7127.200112.9L717 P718 P723L717-E721 HydrophobicContact CD2-CB 4.15Å; P718-E721 PolarHBondContact O-N 3.23Å; E721-P723 WeakPolarHBondContact O-CD 3.12Å
722I64.3Low66.2Low79 Ų7976.5 Ų76.541%0.40543%0.43SS..  trans-61.9117.3175.8-58.1175.8000109.2L717L717-I722 HydrophobicContact CB-CG1 4.17Å
723P64.3Low65.6Low78 Ų7876.4 Ų76.451%0.50643%0.43SS..  trans-66.4137.8175.728.6-35.4000110.6D633 E721 H725D633-P723 VanDerWaalsContact OD2-CD 3.31Å; D633-P723 WeakPolarHBondContact OD2-CD 3.47Å; D633-P723 WeakPolarHBondContact OD2-CG 3.24Å; E721-P723 WeakPolarHBondContact O-CD 3.12Å; P723-H725 PolarHBondContact O-N 3.2Å
724G61.5Low65.2Low79 Ų7983.7 Ų83.781%0.81446%0.456SS*.  trans-62107.2175.800000111.4
725H66.4Low64.8Low71 Ų7183.5 Ų83.533%0.32946%0.455SS..  trans-56.6145.1179.7-49.7-65000111.5W631 D633 P723 S727W631-H725 WeakPolarHBondContact CB-NE2 3.18Å; W631-H725 AromaticContact CD1-CD2 3.35Å; W631-H725 AromaticContact CD1-CG 3.69Å; W631-H725 AromaticContact CD1-NE2 3.78Å; W631-H725 HydrophobicContact CD2-CB 4.21Å; W631-H725 AromaticContact CD2-CG 3.77Å; W631-H725 AromaticContact CD2-ND1 3.74Å; W631-H725 AromaticContact CE2-CG 3.79Å; W631-H725 HydrophobicContact CG-CB 4.49Å; W631-H725 AromaticContact CG-CD2 3.56Å; W631-H725 AromaticContact CG-CE1 3.73Å; W631-H725 AromaticContact CG-CG 3.74Å; W631-H725 AromaticContact CG-ND1 3.82Å; W631-H725 AromaticContact CG-NE2 3.57Å; W631-H725 HydrophobicContact CZ2-CB 4Å; W631-H725 AromaticContact NE1-CD2 3.77Å; W631-H725 AromaticContact NE1-CG 3.7Å; D633-H725 IonicContact OD1-CE1 3.3Å; D633-H725 IonicContact OD2-CE1 3.72Å; D633-H725 PolarHBondContact OD2-CE1 2.91Å; D633-H725 VanDerWaalsContact OD2-CE1 3.29Å; P723-H725 PolarHBondContact O-N 3.2Å; H725-S727 PolarHBondContact O-N 3.03Å
726Q58.5Low64.6Low172 Ų17282.9 Ų82.980%0.80446%0.458SS*.  trans-74.3128.1169.5-66.5-171.912.300108.9V728Q726-V728 PolarHBondContact O-N 3.35Å
727S61Low64.8Low68 Ų6883.8 Ų83.848%0.47646%0.46SS..  trans-57.3108.5-179.660.60000111.8H725 V796H725-S727 PolarHBondContact O-N 3.03Å; S727-V796 CarbonylContact C-O 3.34Å; S727-V796 WeakPolarHBondContact CA-O 3.44Å
728V59.7Low64.9Low67 Ų6781.9 Ų81.941%0.40645%0.45SS..  trans-88119178.51760000109.1W631 Q726 I730 A794 V796W631-V728 HydrophobicContact CH2-CG2 3.9Å; W631-V728 HydrophobicContact CZ2-CG2 3.74Å; Q726-V728 PolarHBondContact O-N 3.35Å; V728-I730 HydrophobicContact CG1-CG1 4.05Å; V728-I730 PolarHBondContact O-N 2.83Å; V728-A794 VanDerWaalsContact O-O 3.13Å; V728-V796 PolarHBondContact N-O 3.02Å
729F61.2Low65.4Low105 Ų10581.9 Ų81.946%0.46144%0.444SS..EExtended strand (participates in β ladder)trans-82.999.5174.5-69.2-84.2000110Y793 V795F729-Y793 HydrophobicContact CB-CD1 3.79Å; F729-Y793 HydrophobicContact CB-CE1 3.94Å; F729-Y793 AromaticContact CD1-CD1 3.69Å; F729-Y793 HydrophobicContact CD1-CD1 3.69Å; F729-Y793 HydrophobicContact CD1-CD2 4.08Å; F729-Y793 HydrophobicContact CD1-CE1 4.01Å; F729-Y793 HydrophobicContact CD1-CE2 4.39Å; F729-Y793 AromaticContact CD1-CG 3.7Å; F729-Y793 HydrophobicContact CD1-CG 3.7Å; F729-Y793 HydrophobicContact CE1-CD2 4.5Å; F729-Y793 HydrophobicContact CE1-CG 4.47Å; F729-Y793 HydrophobicContact CG-CD1 4.21Å; F729-Y793 HydrophobicContact CG-CE1 4.33Å; F729-V795 HydrophobicContact CD1-CG2 4.05Å; F729-V795 HydrophobicContact CE1-CG2 3.87Å
730I58Low66.3Low42 Ų4283.2 Ų83.222%0.21543%0.434CS..EExtended strand (participates in β ladder)trans-84138.3177.8-56167000109.3L629 V728 A794 V796L629-I730 HydrophobicContact CD1-CD1 3.94Å; L629-I730 HydrophobicContact CD2-CD1 4.33Å; V728-I730 HydrophobicContact CG1-CG1 4.05Å; V728-I730 PolarHBondContact O-N 2.83Å; I730-A794 HydrophobicContact CB-CB 4.18Å; I730-A794 HydrophobicContact CD1-CB 4.35Å; I730-A794 PolarHBondContact N-O 3.15Å; I730-V796 HydrophobicContact CD1-CG2 4.01Å
731N57.5Low67Low62 Ų6277.6 Ų77.633%0.33241%0.41SS..SBendtrans78.3136.5-165.5-52.9-97.8000114.4K625 P733K625-N731 PolarHBondContact NZ-OD1 2.77Å; N731-P733 VanDerWaalsContact O-CD 3.23Å; N731-P733 WeakPolarHBondContact O-CD 3.34Å
732E60.8Low67.9Low138 Ų13872.1 Ų72.165%0.64539%0.385SS*.  trans-81.3110153.5-79.4-161-157.700109.3R734 R766E732-R734 PolarHBondContact O-N 3.02Å; E732-R766 VanDerWaalsContact CD-NH2 3.31Å; E732-R766 IonicContact OE1-NH2 2.83Å; E732-R766 IonicContact OE2-CZ 2.79Å; E732-R766 IonicContact OE2-NH1 2.71Å; E732-R766 PolarHBondContact OE2-NH1 3.3Å; E732-R766 IonicContact OE2-NH2 3.6Å; E732-R766 PolarHBondContact OE2-NH2 3.5Å
733P62.8Low68.6Low17 Ų1772.8 Ų72.811%0.1139%0.389CS..  trans-69.3121.2172.428.1-34.7000110.3N731 I772 Y793N731-P733 VanDerWaalsContact O-CD 3.23Å; N731-P733 WeakPolarHBondContact O-CD 3.34Å; P733-I772 HydrophobicContact CG-CD1 3.7Å; P733-Y793 VanDerWaalsContact CD-CE1 3.42Å; P733-Y793 HydrophobicContact CG-CE1 3.71Å; P733-Y793 HydrophobicContact CG-CE2 4.12Å; P733-Y793 VanDerWaalsContact CG-CZ 3.47Å; P733-Y793 WeakPolarHBondContact CG-OH 3.48Å
734R69.4Low69.4Low168 Ų16878.6 Ų78.663%0.63440%0.4SS*.  trans-80129.1167.7-55177.7175.2-161.5-2.4107.6E732 S736 D737 F738E732-R734 PolarHBondContact O-N 3.02Å; R734-S736 VanDerWaalsContact CB-OG 3.31Å; R734-S736 WeakPolarHBondContact CB-OG 3.2Å; R734-S736 PolarHBondContact O-N 2.68Å; R734-S736 VanDerWaalsContact O-N 3.08Å; R734-D737 HydrophobicContact CB-CB 4.46Å; R734-D737 PolarHBondContact O-N 3.19Å; R734-F738 PolarHBondContact O-N 3.29Å; R734-F738 VanDerWaalsContact O-N 3.14Å
735L73.6Confident70.2Confident20 Ų2079 Ų7911%0.10538%0.381CS..Hα-helixtrans-59.8-23178.9-64.5174.9000112.4D737 K739 F751 V764 R766 I772L735-D737 VanDerWaalsContact C-N 3.29Å; L735-D737 PolarHBondContact O-N 3.1Å; L735-K739 WeakPolarHBondContact O-CB 3.47Å; L735-K739 PolarHBondContact O-N 2.87Å; L735-F751 HydrophobicContact CB-CE1 3.74Å; L735-F751 HydrophobicContact CB-CZ 3.58Å; L735-F751 HydrophobicContact CD1-CE1 4.28Å; L735-V764 HydrophobicContact CD2-CG1 3.87Å; L735-R766 HydrophobicContact CD1-CB 4.33Å; L735-I772 HydrophobicContact CD2-CD1 4.11Å
736S75.6Confident70.8Confident55 Ų5578.7 Ų78.739%0.38540%0.397SS..Hα-helixtrans-59.3-38.2169.847.50000113.2R734 Q740R734-S736 VanDerWaalsContact CB-OG 3.31Å; R734-S736 WeakPolarHBondContact CB-OG 3.2Å; R734-S736 PolarHBondContact O-N 2.68Å; R734-S736 VanDerWaalsContact O-N 3.08Å; S736-Q740 PolarHBondContact O-N 3.27Å
737D76.2Confident71.9Confident71 Ų7170.8 Ų70.838%0.3836%0.36SS..Hα-helixtrans-89.8-36.1-169.9-49.6-1.5000108.6R734 L735 Q740 V741R734-D737 HydrophobicContact CB-CB 4.46Å; R734-D737 PolarHBondContact O-N 3.19Å; L735-D737 VanDerWaalsContact C-N 3.29Å; L735-D737 PolarHBondContact O-N 3.1Å; D737-Q740 PolarHBondContact O-N 3.32Å; D737-V741 PolarHBondContact O-N 2.75Å
738F77.1Confident72.7Confident1 Ų174.7 Ų74.70%0.00437%0.371CS..Hα-helixtrans-61.1-41.1167.1-170.1-130.9000112.1R734 Q740 V741 L742 L756 V764 I785 L788 L789 Q792R734-F738 PolarHBondContact O-N 3.29Å; R734-F738 VanDerWaalsContact O-N 3.14Å; F738-Q740 PolarHBondContact O-N 3.19Å; F738-V741 PolarHBondContact O-N 3Å; F738-V741 VanDerWaalsContact O-N 3.09Å; F738-L742 HydrophobicContact CD1-CD1 3.82Å; F738-L742 HydrophobicContact CD1-CG 4.36Å; F738-L742 HydrophobicContact CD2-CG 4.42Å; F738-L742 HydrophobicContact CE1-CD1 3.64Å; F738-L742 HydrophobicContact CE1-CD2 4.27Å; F738-L742 HydrophobicContact CE1-CG 4.11Å; F738-L742 HydrophobicContact CE2-CD2 4.17Å; F738-L742 HydrophobicContact CE2-CG 4.17Å; F738-L742 HydrophobicContact CG-CD1 4.36Å; F738-L742 HydrophobicContact CZ-CD1 4.05Å; F738-L742 HydrophobicContact CZ-CD2 3.82Å; F738-L742 HydrophobicContact CZ-CG 4Å; F738-L742 WeakPolarHBondContact O-CG 3.39Å; F738-L742 PolarHBondContact O-N 3.25Å; F738-L756 HydrophobicContact CD1-CD2 3.94Å; F738-V764 HydrophobicContact CE1-CG1 4.5Å; F738-V764 HydrophobicContact CE1-CG2 4.28Å; F738-I785 HydrophobicContact CE1-CG2 4.11Å; F738-I785 HydrophobicContact CZ-CG2 3.94Å; F738-L788 HydrophobicContact CE2-CB 4.1Å; F738-L789 HydrophobicContact CD1-CD1 4.09Å; F738-L789 HydrophobicContact CD2-CD1 4.31Å; F738-L789 HydrophobicContact CE1-CB 4.38Å; F738-L789 HydrophobicContact CE1-CD1 3.9Å; F738-L789 HydrophobicContact CE2-CB 4.04Å; F738-L789 HydrophobicContact CE2-CD1 4.15Å; F738-L789 HydrophobicContact CG-CD1 4.29Å; F738-L789 HydrophobicContact CZ-CB 3.71Å; F738-L789 HydrophobicContact CZ-CD1 3.94Å; F738-L789 HydrophobicContact CZ-CG 4.41Å; F738-Q792 HydrophobicContact CD2-CG 4.18Å
739K78.5Confident73.8Confident57 Ų5771.6 Ų71.625%0.24835%0.353CS..Hα-helixtrans-55.6-37.2172171165.1170.8149.40112.7L735 L743 A749 F751 L756L735-K739 WeakPolarHBondContact O-CB 3.47Å; L735-K739 PolarHBondContact O-N 2.87Å; K739-L743 HydrophobicContact CG-CD1 3.97Å; K739-L743 HydrophobicContact CG-CG 4.47Å; K739-L743 WeakPolarHBondContact O-CB 3.4Å; K739-L743 VanDerWaalsContact O-CG 3.28Å; K739-L743 WeakPolarHBondContact O-CG 3.28Å; K739-L743 PolarHBondContact O-N 3.14Å; K739-A749 WeakPolarHBondContact CD-O 3.2Å; K739-A749 WeakPolarHBondContact CE-O 3.32Å; K739-A749 HydrophobicContact CG-CB 4.23Å; K739-A749 PolarHBondContact NZ-O 3.39Å; K739-F751 HydrophobicContact CD-CD2 4.08Å; K739-F751 HydrophobicContact CD-CE2 4Å; K739-L756 HydrophobicContact CB-CD1 3.95Å; K739-L756 HydrophobicContact CB-CD2 4.16Å; K739-L756 HydrophobicContact CD-CD1 4.02Å; K739-L756 HydrophobicContact CG-CD1 4.31Å
740Q78.7Confident74.8Confident125 Ų12572.8 Ų72.858%0.58436%0.36SS*.Hα-helixtrans-69.4-35.6177.1-65.8-176.917.400112.8S736 D737 F738 R744S736-Q740 PolarHBondContact O-N 3.27Å; D737-Q740 PolarHBondContact O-N 3.32Å; F738-Q740 PolarHBondContact O-N 3.19Å; Q740-R744 PolarHBondContact O-N 3.03Å; Q740-R744 VanDerWaalsContact O-N 3.14Å
741V79.3Confident75.9Confident39 Ų3975.4 Ų75.424%0.23637%0.37CS..Hα-helixtrans-70-43.9175.1171.50000111.2D737 F738 L743 R744 E745 L788 Q792D737-V741 PolarHBondContact O-N 2.75Å; F738-V741 PolarHBondContact O-N 3Å; F738-V741 VanDerWaalsContact O-N 3.09Å; V741-L743 PolarHBondContact O-N 3.42Å; V741-R744 WeakPolarHBondContact O-CB 3.23Å; V741-R744 PolarHBondContact O-N 3.42Å; V741-R744 VanDerWaalsContact O-N 3.13Å; V741-E745 PolarHBondContact O-N 2.91Å; V741-L788 HydrophobicContact CG1-CD2 4.41Å; V741-Q792 VanDerWaalsContact CG2-NE2 3.28Å
742L80.6Confident76.9Confident0 Ų076.7 Ų76.70%038%0.38CS..Hα-helixtrans-58.5-45.1175.3-68.9172.6000112.3F738 R744 E745 G746 I747 A749 L756 C758 I785 L788F738-L742 HydrophobicContact CD1-CD1 3.82Å; F738-L742 HydrophobicContact CD1-CG 4.36Å; F738-L742 HydrophobicContact CD2-CG 4.42Å; F738-L742 HydrophobicContact CE1-CD1 3.64Å; F738-L742 HydrophobicContact CE1-CD2 4.27Å; F738-L742 HydrophobicContact CE1-CG 4.11Å; F738-L742 HydrophobicContact CE2-CD2 4.17Å; F738-L742 HydrophobicContact CE2-CG 4.17Å; F738-L742 HydrophobicContact CG-CD1 4.36Å; F738-L742 HydrophobicContact CZ-CD1 4.05Å; F738-L742 HydrophobicContact CZ-CD2 3.82Å; F738-L742 HydrophobicContact CZ-CG 4Å; F738-L742 WeakPolarHBondContact O-CG 3.39Å; F738-L742 PolarHBondContact O-N 3.25Å; L742-R744 VanDerWaalsContact C-N 3.3Å; L742-R744 PolarHBondContact O-N 3.25Å; L742-E745 CarbonylContact O-C 3.58Å; L742-E745 PolarHBondContact O-N 3.4Å; L742-E745 VanDerWaalsContact O-N 3.14Å; L742-G746 PolarHBondContact O-N 3.13Å; L742-I747 CarbonylContact C-O 3.56Å; L742-I747 HydrophobicContact CB-CB 4.22Å; L742-I747 HydrophobicContact CB-CG2 4.39Å; L742-I747 HydrophobicContact CD2-CB 4.35Å; L742-I747 HydrophobicContact CD2-CD1 3.92Å; L742-I747 HydrophobicContact CD2-CG2 4.25Å; L742-I747 PolarHBondContact O-N 3.46Å; L742-A749 HydrophobicContact CB-CB 4.15Å; L742-A749 HydrophobicContact CD1-CB 3.92Å; L742-L756 HydrophobicContact CD1-CD2 3.94Å; L742-C758 VanDerWaalsContact CD1-SG 3.59Å; L742-I785 HydrophobicContact CD2-CB 4.5Å; L742-I785 HydrophobicContact CD2-CG1 3.99Å; L742-I785 HydrophobicContact CD2-CG2 4.23Å; L742-L788 HydrophobicContact CD2-CD1 4.16Å
743L79.9Confident77.2Confident93 Ų9374.4 Ų74.449%0.48739%0.393SS..Hα-helixtrans-63.8-33.1176.1-74.5170.4000113K739 V741 E745 G746K739-L743 HydrophobicContact CG-CD1 3.97Å; K739-L743 HydrophobicContact CG-CG 4.47Å; K739-L743 WeakPolarHBondContact O-CB 3.4Å; K739-L743 VanDerWaalsContact O-CG 3.28Å; K739-L743 WeakPolarHBondContact O-CG 3.28Å; K739-L743 PolarHBondContact O-N 3.14Å; V741-L743 PolarHBondContact O-N 3.42Å; L743-E745 VanDerWaalsContact C-N 3.33Å; L743-G746 PolarHBondContact O-N 3.14Å
744R81.2Confident77.5Confident200 Ų20076.2 Ų76.276%0.75542%0.415SS*.Hα-helixtrans-67.9-35.1174.1-170.6-177.7-61.9175.91.5111.8Q740 V741 L742 G746Q740-R744 PolarHBondContact O-N 3.03Å; Q740-R744 VanDerWaalsContact O-N 3.14Å; V741-R744 WeakPolarHBondContact O-CB 3.23Å; V741-R744 PolarHBondContact O-N 3.42Å; V741-R744 VanDerWaalsContact O-N 3.13Å; L742-R744 VanDerWaalsContact C-N 3.3Å; L742-R744 PolarHBondContact O-N 3.25Å; R744-G746 VanDerWaalsContact C-N 3.26Å; R744-G746 PolarHBondContact O-N 3.09Å
745E78.8Confident78Confident88 Ų8870.2 Ų70.241%0.41140%0.397SS..THydrogen-bonded Turntrans-85.211.3177.6-78.4-62.313000114.6V741 L742 L743 I747 K784 L788V741-E745 PolarHBondContact O-N 2.91Å; L742-E745 CarbonylContact O-C 3.58Å; L742-E745 PolarHBondContact O-N 3.4Å; L742-E745 VanDerWaalsContact O-N 3.14Å; L743-E745 VanDerWaalsContact C-N 3.33Å; E745-I747 VanDerWaalsContact C-N 3.32Å; E745-I747 PolarHBondContact O-N 2.93Å; E745-K784 PolarHBondContact O-NZ 2.83Å; E745-K784 WeakPolarHBondContact OE2-CE 3.45Å; E745-K784 IonicContact OE2-NZ 3.22Å; E745-K784 PolarHBondContact OE2-NZ 3.42Å; E745-L788 HydrophobicContact CB-CD1 3.91Å; E745-L788 HydrophobicContact CG-CD1 3.84Å; E745-L788 HydrophobicContact CG-CD2 3.91Å
746G78.1Confident78.4Confident65 Ų6569.3 Ų69.367%0.6739%0.392SS*.THydrogen-bonded Turntrans79.75.317600000115.5L742 L743 R744L742-G746 PolarHBondContact O-N 3.13Å; L743-G746 PolarHBondContact O-N 3.14Å; R744-G746 VanDerWaalsContact C-N 3.26Å; R744-G746 PolarHBondContact O-N 3.09Å
747I80.9Confident78.7Confident5 Ų568.2 Ų68.23%0.02638%0.383CS..  trans-88.9123.8-178.3-64.5160.8000109.4L742 E745 A749 C758 K784 I785 L788L742-I747 CarbonylContact C-O 3.56Å; L742-I747 HydrophobicContact CB-CB 4.22Å; L742-I747 HydrophobicContact CB-CG2 4.39Å; L742-I747 HydrophobicContact CD2-CB 4.35Å; L742-I747 HydrophobicContact CD2-CD1 3.92Å; L742-I747 HydrophobicContact CD2-CG2 4.25Å; L742-I747 PolarHBondContact O-N 3.46Å; E745-I747 VanDerWaalsContact C-N 3.32Å; E745-I747 PolarHBondContact O-N 2.93Å; I747-A749 PolarHBondContact O-N 3.28Å; I747-C758 HydrophobicContact CG2-CB 4.03Å; I747-K784 HydrophobicContact CD1-CD 4.17Å; I747-I785 HydrophobicContact CD1-CG1 3.86Å; I747-I785 HydrophobicContact CG2-CD1 4.23Å; I747-I785 HydrophobicContact CG2-CG1 4.39Å; I747-L788 HydrophobicContact CD1-CD1 4.02Å
748Q78.6Confident78.9Confident150 Ų15064.8 Ų64.870%0.70137%0.365SS*.  trans-75.3116.5177.2-66-172.6-5.700109.6C758 N759Q748-C758 CarbonylContact O-C 3.57Å; Q748-C758 VanDerWaalsContact O-CA 3.31Å; Q748-C758 WeakPolarHBondContact O-CA 3.42Å; Q748-N759 PolarHBondContact N-OD1 2.87Å; Q748-N759 PolarHBondContact O-N 3.06Å
749A82.4Confident79Confident3 Ų367.1 Ų67.13%0.02538%0.377CS..EExtended strand (participates in β ladder)trans-125.2119.8-176.100000111.9K739 L742 I747 L756 V757K739-A749 WeakPolarHBondContact CD-O 3.2Å; K739-A749 WeakPolarHBondContact CE-O 3.32Å; K739-A749 HydrophobicContact CG-CB 4.23Å; K739-A749 PolarHBondContact NZ-O 3.39Å; L742-A749 HydrophobicContact CB-CB 4.15Å; L742-A749 HydrophobicContact CD1-CB 3.92Å; I747-A749 PolarHBondContact O-N 3.28Å; A749-L756 HydrophobicContact CB-CD1 4.05Å; A749-L756 HydrophobicContact CB-CG 4.37Å; A749-V757 CarbonylContact C-O 3.53Å; A749-V757 VanDerWaalsContact CA-O 3.31Å; A749-V757 WeakPolarHBondContact CA-O 3.23Å
750E83.1Confident78.9Confident129 Ų12971.2 Ų71.260%0.60340%0.402SS*.EExtended strand (participates in β ladder)trans-122151.9-178.9-63.9-156.6147.700112.4L756 V757E750-L756 CarbonylContact O-C 3.58Å; E750-L756 WeakPolarHBondContact O-CA 3.32Å; E750-V757 PolarHBondContact N-O 2.82Å; E750-V757 PolarHBondContact O-N 3.14Å
751F81.5Confident78.8Confident97 Ų9769.3 Ų69.343%0.42539%0.394SS..EExtended strand (participates in β ladder)trans-97.3120178.3-87.3-72000110.6L735 K739 V755 L756L735-F751 HydrophobicContact CB-CE1 3.74Å; L735-F751 HydrophobicContact CB-CZ 3.58Å; L735-F751 HydrophobicContact CD1-CE1 4.28Å; K739-F751 HydrophobicContact CD-CD2 4.08Å; K739-F751 HydrophobicContact CD-CE2 4Å; F751-V755 WeakPolarHBondContact CA-O 3.35Å; F751-L756 HydrophobicContact CD1-CB 4.35Å; F751-L756 HydrophobicContact CD1-CD1 4.22Å; F751-L756 HydrophobicContact CD2-CD1 4.05Å; F751-L756 HydrophobicContact CE1-CB 4.07Å; F751-L756 HydrophobicContact CE1-CD1 4.11Å; F751-L756 HydrophobicContact CE2-CD1 3.93Å; F751-L756 HydrophobicContact CG-CD1 4.2Å; F751-L756 HydrophobicContact CZ-CD1 3.97Å
752V77.6Confident78.9Confident90 Ų9067.6 Ų67.655%0.54538%0.384SS..EExtended strand (participates in β ladder)trans-127.2113.8177.2-174.50000108.3G754 V755 V757V752-G754 PolarHBondContact O-N 3.33Å; V752-G754 VanDerWaalsContact O-N 3.15Å; V752-V755 PolarHBondContact N-O 2.93Å; V752-V755 WeakPolarHBondContact O-CB 3.1Å; V752-V755 PolarHBondContact O-N 3.49Å; V752-V757 HydrophobicContact CB-CG2 4.21Å; V752-V757 HydrophobicContact CG2-CG2 4.15Å
753G66.9Low79Confident90 Ų9068.9 Ų68.993%0.92840%0.395SS*.THydrogen-bonded Turntrans60.624.4176.400000115.8
754G70.1Confident79Confident55 Ų5564.5 Ų64.557%0.56737%0.371SS*.THydrogen-bonded Turntrans88.2-3.1-174.800000114.9V752V752-G754 PolarHBondContact O-N 3.33Å; V752-G754 VanDerWaalsContact O-N 3.15Å
755V79.3Confident79Confident42 Ų4259.9 Ų59.926%0.25535%0.354SS..EExtended strand (participates in β ladder)trans-96.6141.7172.2-1770000109.4F751 V752 A763 R765F751-V755 WeakPolarHBondContact CA-O 3.35Å; V752-V755 PolarHBondContact N-O 2.93Å; V752-V755 WeakPolarHBondContact O-CB 3.1Å; V752-V755 PolarHBondContact O-N 3.49Å; V755-A763 HydrophobicContact CG1-CB 3.86Å; V755-R765 HydrophobicContact CG1-CB 4.12Å; V755-R765 HydrophobicContact CG2-CB 3.95Å
756L81.9Confident78.8Confident0 Ų061 Ų610%036%0.355CS..EExtended strand (participates in β ladder)trans-94.8108175.3-175.468.7000109.5F738 K739 L742 A749 E750 F751 V764F738-L756 HydrophobicContact CD1-CD2 3.94Å; K739-L756 HydrophobicContact CB-CD1 3.95Å; K739-L756 HydrophobicContact CB-CD2 4.16Å; K739-L756 HydrophobicContact CD-CD1 4.02Å; K739-L756 HydrophobicContact CG-CD1 4.31Å; L742-L756 HydrophobicContact CD1-CD2 3.94Å; A749-L756 HydrophobicContact CB-CD1 4.05Å; A749-L756 HydrophobicContact CB-CG 4.37Å; E750-L756 CarbonylContact O-C 3.58Å; E750-L756 WeakPolarHBondContact O-CA 3.32Å; F751-L756 HydrophobicContact CD1-CB 4.35Å; F751-L756 HydrophobicContact CD1-CD1 4.22Å; F751-L756 HydrophobicContact CD2-CD1 4.05Å; F751-L756 HydrophobicContact CE1-CB 4.07Å; F751-L756 HydrophobicContact CE1-CD1 4.11Å; F751-L756 HydrophobicContact CE2-CD1 3.93Å; F751-L756 HydrophobicContact CG-CD1 4.2Å; F751-L756 HydrophobicContact CZ-CD1 3.97Å; L756-V764 HydrophobicContact CB-CB 4.36Å; L756-V764 PolarHBondContact N-O 3.3Å; L756-V764 PolarHBondContact O-N 2.97Å
757V81.8Confident78.3Confident32 Ų3260 Ų6019%0.19434%0.336CS..EExtended strand (participates in β ladder)trans-94.9127.8-178.6-178.60000109.5A749 E750 V752A749-V757 CarbonylContact C-O 3.53Å; A749-V757 VanDerWaalsContact CA-O 3.31Å; A749-V757 WeakPolarHBondContact CA-O 3.23Å; E750-V757 PolarHBondContact N-O 2.82Å; E750-V757 PolarHBondContact O-N 3.14Å; V752-V757 HydrophobicContact CB-CG2 4.21Å; V752-V757 HydrophobicContact CG2-CG2 4.15Å
758C80.8Confident77.2Confident0 Ų069.8 Ų69.80%038%0.381CS..EExtended strand (participates in β ladder)trans-120.5124.8-171.1-53.10000109.9L742 I747 Q748 N760 M761 V762 I785L742-C758 VanDerWaalsContact CD1-SG 3.59Å; I747-C758 HydrophobicContact CG2-CB 4.03Å; Q748-C758 CarbonylContact O-C 3.57Å; Q748-C758 VanDerWaalsContact O-CA 3.31Å; Q748-C758 WeakPolarHBondContact O-CA 3.42Å; C758-N760 PolarHBondContact O-N 3.28Å; C758-M761 PolarHBondContact O-N 2.88Å; C758-V762 HydrophobicContact CB-CB 4.41Å; C758-V762 PolarHBondContact N-O 2.91Å; C758-V762 PolarHBondContact O-N 3.03Å; C758-V762 VanDerWaalsContact O-N 3.12Å; C758-I785 HydrophobicContact CB-CD1 3.54Å
759N80Confident76.2Confident49 Ų4966.6 Ų66.626%0.26238%0.38SS..THydrogen-bonded Turntrans4723.7-175.6-69.9-4.8000114.6Q748 M761 D781Q748-N759 PolarHBondContact N-OD1 2.87Å; Q748-N759 PolarHBondContact O-N 3.06Å; N759-M761 HydrophobicContact CB-CE 4.13Å; N759-M761 PolarHBondContact O-N 3.43Å; N759-M761 VanDerWaalsContact O-N 3.09Å; N759-D781 PolarHBondContact ND2-OD2 3.06Å
760N76.4Confident75Confident144 Ų14468.2 Ų68.277%0.7740%0.397SS*.THydrogen-bonded Turntrans53.616.3-169.9-66.7-24.5000115.9C758C758-N760 PolarHBondContact O-N 3.28Å
761M75.1Confident74.2Confident85 Ų8571.5 Ų71.542%0.41940%0.404SS..THydrogen-bonded Turntrans-118-23.1-178.4-67.9-171.9-66.400114.1C758 N759 G776 C777 D781C758-M761 PolarHBondContact O-N 2.88Å; N759-M761 HydrophobicContact CB-CE 4.13Å; N759-M761 PolarHBondContact O-N 3.43Å; N759-M761 VanDerWaalsContact O-N 3.09Å; M761-G776 VanDerWaalsContact O-CA 3.29Å; M761-G776 WeakPolarHBondContact O-CA 3.25Å; M761-C777 PolarHBondContact O-N 3.23Å; M761-D781 HydrophobicContact CE-CB 4.26Å; M761-D781 WeakPolarHBondContact CE-OD2 3.26Å
762V81.8Confident73.8Confident2 Ų268.6 Ų68.61%0.01239%0.393CS..EExtended strand (participates in β ladder)trans-133.3133.7-175.2-175.50000109.9C758 L774 Y782 I785C758-V762 HydrophobicContact CB-CB 4.41Å; C758-V762 PolarHBondContact N-O 2.91Å; C758-V762 PolarHBondContact O-N 3.03Å; C758-V762 VanDerWaalsContact O-N 3.12Å; V762-L774 HydrophobicContact CG1-CD2 3.64Å; V762-L774 HydrophobicContact CG1-CG 3.94Å; V762-Y782 HydrophobicContact CG1-CD2 4.29Å; V762-Y782 HydrophobicContact CG2-CD2 4.18Å; V762-I785 HydrophobicContact CB-CD1 3.86Å; V762-I785 HydrophobicContact CG1-CD1 4.17Å; V762-I785 HydrophobicContact CG1-CG2 4.45Å; V762-I785 HydrophobicContact CG2-CD1 4Å
763A82.1Confident73.7Confident28 Ų2865.3 Ų65.323%0.23138%0.377CS..EExtended strand (participates in β ladder)trans-119.9126.5-178.600000110.2V755 E775V755-A763 HydrophobicContact CG1-CB 3.86Å; A763-E775 PolarHBondContact N-O 3.43Å; A763-E775 PolarHBondContact O-N 3.27Å
764V80.9Confident74.4Confident0 Ų062.4 Ų62.40%034%0.34CS..EExtended strand (participates in β ladder)trans-112111.1-179.4-174.60000108.5L735 F738 L756 I772 G773 L774 I785L735-V764 HydrophobicContact CD2-CG1 3.87Å; F738-V764 HydrophobicContact CE1-CG1 4.5Å; F738-V764 HydrophobicContact CE1-CG2 4.28Å; L756-V764 HydrophobicContact CB-CB 4.36Å; L756-V764 PolarHBondContact N-O 3.3Å; L756-V764 PolarHBondContact O-N 2.97Å; V764-I772 HydrophobicContact CG1-CG2 3.49Å; V764-I772 VanDerWaalsContact CG1-CG2 3.49Å; V764-G773 WeakPolarHBondContact CA-O 3.28Å; V764-L774 HydrophobicContact CG2-CD1 4.24Å; V764-L774 HydrophobicContact CG2-CG 4.11Å; V764-I785 HydrophobicContact CG2-CG2 4.26Å
765R81.8Confident74.9Confident103 Ų10364.1 Ų64.139%0.38933%0.333SS..EExtended strand (participates in β ladder)trans-115.7133.8-175.965-179.6-179.6116-3.4111.8V755 I772 G773 E775V755-R765 HydrophobicContact CG1-CB 4.12Å; V755-R765 HydrophobicContact CG2-CB 3.95Å; R765-I772 CarbonylContact O-C 3.54Å; R765-I772 WeakPolarHBondContact O-CA 3.44Å; R765-G773 PolarHBondContact N-O 3.46Å; R765-G773 PolarHBondContact O-N 3.18Å; R765-E775 WeakPolarHBondContact CD-OE2 3.33Å; R765-E775 IonicContact CZ-OE1 3.26Å; R765-E775 VanDerWaalsContact CZ-OE1 3.26Å; R765-E775 IonicContact CZ-OE2 3.77Å; R765-E775 IonicContact NE-OE1 3.63Å; R765-E775 PolarHBondContact NE-OE1 2.79Å; R765-E775 IonicContact NE-OE2 3.68Å; R765-E775 PolarHBondContact NE-OE2 3.23Å; R765-E775 IonicContact NH2-OE1 2.67Å; R765-E775 PolarHBondContact NH2-OE1 2.9Å; R765-E775 IonicContact NH2-OE2 3.02Å
766R74.1Confident75Confident113 Ų11364.1 Ų64.143%0.42634%0.341SS..EExtended strand (participates in β ladder)trans-85.6125.6165.4-170.2171.8178.6166.6-1.2108.4E732 L735 I772E732-R766 VanDerWaalsContact CD-NH2 3.31Å; E732-R766 IonicContact OE1-NH2 2.83Å; E732-R766 IonicContact OE2-CZ 2.79Å; E732-R766 IonicContact OE2-NH1 2.71Å; E732-R766 PolarHBondContact OE2-NH1 3.3Å; E732-R766 IonicContact OE2-NH2 3.6Å; E732-R766 PolarHBondContact OE2-NH2 3.5Å; L735-R766 HydrophobicContact CD1-CB 4.33Å; R766-I772 HydrophobicContact CB-CG1 4.49Å
767T68.3Low74.7Confident44 Ų4468.4 Ų68.427%0.2737%0.371SS..  trans-88.9159.2173.660.40000110.8A769 G770 R771T767-A769 PolarHBondContact O-N 2.71Å; T767-G770 PolarHBondContact O-N 2.75Å; T767-R771 PolarHBondContact N-O 3.05Å; T767-R771 PolarHBondContact OG1-O 3.26Å
768E57.4Low74.4Confident210 Ų21073.1 Ų73.198%0.98139%0.394SS*.THydrogen-bonded Turntrans-58.3-31.2-176.8-62.4175.9169.600112.8G770E768-G770 PolarHBondContact O-N 2.87Å; E768-G770 VanDerWaalsContact O-N 3.07Å
769A56.4Low74.3Confident83 Ų8374.7 Ų74.769%0.68641%0.405SS*.THydrogen-bonded Turntrans-77.824.4173.900000114.1T767 R771T767-A769 PolarHBondContact O-N 2.71Å; A769-R771 PolarHBondContact O-N 3.35Å
770G58.9Low74.3Confident37 Ų3779.1 Ų79.138%0.38143%0.428SS..SBendtrans73.6-17.9177.700000116.2T767 E768T767-G770 PolarHBondContact O-N 2.75Å; E768-G770 PolarHBondContact O-N 2.87Å; E768-G770 VanDerWaalsContact O-N 3.07Å
771R64.9Low74.3Confident197 Ų19774.2 Ų74.274%0.74340%0.402SS*.  trans-72.8139-176.8-59.2177.4-177.3-172.5-1.7112T767 A769T767-R771 PolarHBondContact N-O 3.05Å; T767-R771 PolarHBondContact OG1-O 3.26Å; A769-R771 PolarHBondContact O-N 3.35Å
772I73.8Confident74.7Confident37 Ų3772.2 Ų72.219%0.1939%0.39CS..EExtended strand (participates in β ladder)trans-89.4128.8169.1-66.6-176.8000109.6P733 L735 V764 R765 R766 L789P733-I772 HydrophobicContact CG-CD1 3.7Å; L735-I772 HydrophobicContact CD2-CD1 4.11Å; V764-I772 HydrophobicContact CG1-CG2 3.49Å; V764-I772 VanDerWaalsContact CG1-CG2 3.49Å; R765-I772 CarbonylContact O-C 3.54Å; R765-I772 WeakPolarHBondContact O-CA 3.44Å; R766-I772 HydrophobicContact CB-CG1 4.49Å; I772-L789 HydrophobicContact CG2-CD2 4.11Å
773G74.4Confident74.6Confident21 Ų2178 Ų7822%0.21641%0.413CS..EExtended strand (participates in β ladder)trans-104.6140.5167.700000110.5V764 R765V764-G773 WeakPolarHBondContact CA-O 3.28Å; R765-G773 PolarHBondContact N-O 3.46Å; R765-G773 PolarHBondContact O-N 3.18Å
774L82.1Confident74.6Confident28 Ų2880.2 Ų80.215%0.14742%0.417CS..EExtended strand (participates in β ladder)trans-122.7111178.8-173.7160.2000108.4V762 V764 Y782 I785 R786 L789V762-L774 HydrophobicContact CG1-CD2 3.64Å; V762-L774 HydrophobicContact CG1-CG 3.94Å; V764-L774 HydrophobicContact CG2-CD1 4.24Å; V764-L774 HydrophobicContact CG2-CG 4.11Å; L774-Y782 HydrophobicContact CD2-CD1 4.46Å; L774-Y782 HydrophobicContact CD2-CD2 3.6Å; L774-Y782 HydrophobicContact CD2-CE1 4.11Å; L774-Y782 HydrophobicContact CD2-CE2 3.18Å; L774-Y782 HydrophobicContact CD2-CG 4.2Å; L774-Y782 VanDerWaalsContact CD2-CZ 3.44Å; L774-Y782 PolarHBondContact O-OH 2.77Å; L774-I785 HydrophobicContact CD1-CG2 3.94Å; L774-R786 HydrophobicContact CD1-CB 4.17Å; L774-L789 HydrophobicContact CD1-CD2 4.06Å
775E80.6Confident74.6Confident92 Ų9280.2 Ų80.243%0.4342%0.417SS..EExtended strand (participates in β ladder)trans-124.4131.5-168.2-69.3171.9166.500109.8A763 R765A763-E775 PolarHBondContact N-O 3.43Å; A763-E775 PolarHBondContact O-N 3.27Å; R765-E775 WeakPolarHBondContact CD-OE2 3.33Å; R765-E775 IonicContact CZ-OE1 3.26Å; R765-E775 VanDerWaalsContact CZ-OE1 3.26Å; R765-E775 IonicContact CZ-OE2 3.77Å; R765-E775 IonicContact NE-OE1 3.63Å; R765-E775 PolarHBondContact NE-OE1 2.79Å; R765-E775 IonicContact NE-OE2 3.68Å; R765-E775 PolarHBondContact NE-OE2 3.23Å; R765-E775 IonicContact NH2-OE1 2.67Å; R765-E775 PolarHBondContact NH2-OE1 2.9Å; R765-E775 IonicContact NH2-OE2 3.02Å
776G80.9Confident74.5Confident41 Ų4180.3 Ų80.342%0.42342%0.418SS..EExtended strand (participates in β ladder)trans172.7-179.9-176.600000112.5M761M761-G776 VanDerWaalsContact O-CA 3.29Å; M761-G776 WeakPolarHBondContact O-CA 3.25Å
777C76Confident74.8Confident91 Ų9180.5 Ų80.562%0.61542%0.423SS*.  trans-73.7143.1171.5-650000110.7M761 C779 Y782M761-C777 PolarHBondContact O-N 3.23Å; C777-C779 PolarHBondContact O-N 3.29Å; C777-C779 PolarHBondContact O-SG 3.01Å; C777-Y782 WeakPolarHBondContact O-CB 3.34Å
778L76.3Confident75.2Confident130 Ų13079 Ų7968%0.68141%0.413SS*.SBendtrans-70.3102.8173.5-65.4174.7000109.5Y782L778-Y782 HydrophobicContact CD2-CD1 3.97Å; L778-Y782 HydrophobicContact CD2-CE1 3.91Å; L778-Y782 HydrophobicContact CD2-CG 4.44Å
779C79Confident76Confident33 Ų3369.7 Ų69.722%0.22337%0.371CS..SBendtrans-144.7168.4179.457.80000109.3C777 D781 Y782 Y783C777-C779 PolarHBondContact O-N 3.29Å; C777-C779 PolarHBondContact O-SG 3.01Å; C779-D781 PolarHBondContact O-N 2.87Å; C779-Y782 WeakPolarHBondContact O-CA 3.46Å; C779-Y782 VanDerWaalsContact O-CB 3.25Å; C779-Y782 WeakPolarHBondContact O-CB 3.32Å; C779-Y782 PolarHBondContact O-N 3.36Å; C779-Y783 WeakPolarHBondContact O-CD2 3.1Å; C779-Y783 PolarHBondContact O-N 3.45Å
780D78.4Confident76.8Confident142 Ų14271 Ų7176%0.75936%0.359SS*.Hα-helixtrans-59.5-35.7-177-57.3-27.9000112.1Y782 Y783 K784D780-Y782 VanDerWaalsContact C-N 3.34Å; D780-Y782 PolarHBondContact O-N 2.83Å; D780-Y783 PolarHBondContact O-N 3.49Å; D780-K784 PolarHBondContact O-N 2.84Å
781D77.9Confident77.4Confident42 Ų4275.4 Ų75.423%0.22537%0.369CS..Hα-helixtrans-59.7-39171.3-79-11.6000112.6N759 M761 C779 Y783 K784 I785N759-D781 PolarHBondContact ND2-OD2 3.06Å; M761-D781 HydrophobicContact CE-CB 4.26Å; M761-D781 WeakPolarHBondContact CE-OD2 3.26Å; C779-D781 PolarHBondContact O-N 2.87Å; D781-Y783 VanDerWaalsContact C-N 3.33Å; D781-Y783 PolarHBondContact O-N 3.08Å; D781-K784 PolarHBondContact O-N 2.98Å; D781-I785 HydrophobicContact CB-CD1 4.35Å; D781-I785 VanDerWaalsContact O-CB 3.26Å; D781-I785 WeakPolarHBondContact O-CB 3.38Å; D781-I785 VanDerWaalsContact O-CD1 3.32Å; D781-I785 WeakPolarHBondContact O-CD1 3.09Å; D781-I785 WeakPolarHBondContact O-CG1 3.31Å; D781-I785 PolarHBondContact O-N 2.84Å
782Y82.1Confident77.5Confident42 Ų4268 Ų6817%0.16534%0.343CS..Hα-helixtrans-61-43.4176.3-178.9-78.9000111.1V762 L774 C777 L778 C779 D780 R786V762-Y782 HydrophobicContact CG1-CD2 4.29Å; V762-Y782 HydrophobicContact CG2-CD2 4.18Å; L774-Y782 HydrophobicContact CD2-CD1 4.46Å; L774-Y782 HydrophobicContact CD2-CD2 3.6Å; L774-Y782 HydrophobicContact CD2-CE1 4.11Å; L774-Y782 HydrophobicContact CD2-CE2 3.18Å; L774-Y782 HydrophobicContact CD2-CG 4.2Å; L774-Y782 VanDerWaalsContact CD2-CZ 3.44Å; L774-Y782 PolarHBondContact O-OH 2.77Å; C777-Y782 WeakPolarHBondContact O-CB 3.34Å; L778-Y782 HydrophobicContact CD2-CD1 3.97Å; L778-Y782 HydrophobicContact CD2-CE1 3.91Å; L778-Y782 HydrophobicContact CD2-CG 4.44Å; C779-Y782 WeakPolarHBondContact O-CA 3.46Å; C779-Y782 VanDerWaalsContact O-CB 3.25Å; C779-Y782 WeakPolarHBondContact O-CB 3.32Å; C779-Y782 PolarHBondContact O-N 3.36Å; D780-Y782 VanDerWaalsContact C-N 3.34Å; D780-Y782 PolarHBondContact O-N 2.83Å; Y782-R786 WeakPolarHBondContact O-CB 3.4Å; Y782-R786 PolarHBondContact O-N 3.3Å
783Y81.4Confident76.9Confident124 Ų12468.2 Ų68.249%0.48634%0.341SS..Hα-helixtrans-69.9-43.7177-68.7-78.7000111.7C779 D780 D781 R786 E787C779-Y783 WeakPolarHBondContact O-CD2 3.1Å; C779-Y783 PolarHBondContact O-N 3.45Å; D780-Y783 PolarHBondContact O-N 3.49Å; D781-Y783 VanDerWaalsContact C-N 3.33Å; D781-Y783 PolarHBondContact O-N 3.08Å; Y783-R786 PolarHBondContact O-N 3.12Å; Y783-E787 WeakPolarHBondContact O-CB 3.29Å; Y783-E787 PolarHBondContact O-N 3.34Å
784K81.1Confident76.1Confident75 Ų7568 Ų6833%0.32634%0.338SS..Hα-helixtrans-63-44.6177.2-167-176.6-179.7-1680112.3E745 I747 D780 D781 R786 E787 L788E745-K784 PolarHBondContact O-NZ 2.83Å; E745-K784 WeakPolarHBondContact OE2-CE 3.45Å; E745-K784 IonicContact OE2-NZ 3.22Å; E745-K784 PolarHBondContact OE2-NZ 3.42Å; I747-K784 HydrophobicContact CD1-CD 4.17Å; D780-K784 PolarHBondContact O-N 2.84Å; D781-K784 PolarHBondContact O-N 2.98Å; K784-R786 VanDerWaalsContact C-N 3.33Å; K784-R786 PolarHBondContact O-N 3Å; K784-E787 PolarHBondContact O-N 3.07Å; K784-L788 HydrophobicContact CG-CD1 4.15Å; K784-L788 WeakPolarHBondContact O-CB 3.31Å; K784-L788 VanDerWaalsContact O-CG 3.28Å; K784-L788 WeakPolarHBondContact O-CG 3.38Å; K784-L788 PolarHBondContact O-N 3.09Å
785I80.8Confident74.7Confident0 Ų070.1 Ų70.10%035%0.352CS..Hα-helixtrans-64.3-40.1176.6-65.5162.6000110.3F738 L742 I747 C758 V762 V764 L774 D781 L789F738-I785 HydrophobicContact CE1-CG2 4.11Å; F738-I785 HydrophobicContact CZ-CG2 3.94Å; L742-I785 HydrophobicContact CD2-CB 4.5Å; L742-I785 HydrophobicContact CD2-CG1 3.99Å; L742-I785 HydrophobicContact CD2-CG2 4.23Å; I747-I785 HydrophobicContact CD1-CG1 3.86Å; I747-I785 HydrophobicContact CG2-CD1 4.23Å; I747-I785 HydrophobicContact CG2-CG1 4.39Å; C758-I785 HydrophobicContact CB-CD1 3.54Å; V762-I785 HydrophobicContact CB-CD1 3.86Å; V762-I785 HydrophobicContact CG1-CD1 4.17Å; V762-I785 HydrophobicContact CG1-CG2 4.45Å; V762-I785 HydrophobicContact CG2-CD1 4Å; V764-I785 HydrophobicContact CG2-CG2 4.26Å; L774-I785 HydrophobicContact CD1-CG2 3.94Å; D781-I785 HydrophobicContact CB-CD1 4.35Å; D781-I785 VanDerWaalsContact O-CB 3.26Å; D781-I785 WeakPolarHBondContact O-CB 3.38Å; D781-I785 VanDerWaalsContact O-CD1 3.32Å; D781-I785 WeakPolarHBondContact O-CD1 3.09Å; D781-I785 WeakPolarHBondContact O-CG1 3.31Å; D781-I785 PolarHBondContact O-N 2.84Å; I785-L789 WeakPolarHBondContact O-CB 3.31Å; I785-L789 PolarHBondContact O-N 2.71Å
786R80.4Confident73.5Confident105 Ų10567.4 Ų67.440%0.39634%0.342SS..Hα-helixtrans-64.8-40.8175.9-179.2177177.6-140.2-9.1112.1L774 Y782 Y783 K784 L789 Y790L774-R786 HydrophobicContact CD1-CB 4.17Å; Y782-R786 WeakPolarHBondContact O-CB 3.4Å; Y782-R786 PolarHBondContact O-N 3.3Å; Y783-R786 PolarHBondContact O-N 3.12Å; K784-R786 VanDerWaalsContact C-N 3.33Å; K784-R786 PolarHBondContact O-N 3Å; R786-L789 PolarHBondContact O-N 3Å; R786-Y790 HydrophobicContact CG-CD2 4.04Å; R786-Y790 HydrophobicContact CG-CE2 3.6Å; R786-Y790 PolarHBondContact NE-OH 2.88Å; R786-Y790 PolarHBondContact NH2-OH 2.79Å; R786-Y790 VanDerWaalsContact O-CD2 3.23Å; R786-Y790 WeakPolarHBondContact O-CD2 3.5Å; R786-Y790 PolarHBondContact O-N 2.75Å
787E79.6Confident73.1Confident116 Ų11668.8 Ų68.854%0.54234%0.338SS..Hα-helixtrans-64.7-49.5175.7-167.4-175.5164.300111.3Y783 K784 L789 Y790 Q791Y783-E787 WeakPolarHBondContact O-CB 3.29Å; Y783-E787 PolarHBondContact O-N 3.34Å; K784-E787 PolarHBondContact O-N 3.07Å; E787-L789 PolarHBondContact O-N 2.74Å; E787-Y790 PolarHBondContact O-N 2.83Å; E787-Y790 VanDerWaalsContact O-N 3.1Å; E787-Q791 WeakPolarHBondContact O-CG 3.5Å; E787-Q791 PolarHBondContact O-N 2.88Å; E787-Q791 PolarHBondContact OE1-NE2 3.19Å
788L76.6Confident72.9Confident13 Ų1367.6 Ų67.67%0.06832%0.323CS..Hα-helixtrans-60.2-33.4175.8-69.3170.3000112.7F738 V741 L742 E745 I747 K784 Q792F738-L788 HydrophobicContact CE2-CB 4.1Å; V741-L788 HydrophobicContact CG1-CD2 4.41Å; L742-L788 HydrophobicContact CD2-CD1 4.16Å; E745-L788 HydrophobicContact CB-CD1 3.91Å; E745-L788 HydrophobicContact CG-CD1 3.84Å; E745-L788 HydrophobicContact CG-CD2 3.91Å; I747-L788 HydrophobicContact CD1-CD1 4.02Å; K784-L788 HydrophobicContact CG-CD1 4.15Å; K784-L788 WeakPolarHBondContact O-CB 3.31Å; K784-L788 VanDerWaalsContact O-CG 3.28Å; K784-L788 WeakPolarHBondContact O-CG 3.38Å; K784-L788 PolarHBondContact O-N 3.09Å; L788-Q792 PolarHBondContact O-N 2.93Å
789L74.6Confident72.7Confident15 Ų1564.1 Ų64.18%0.07930%0.303CS..Hα-helixtrans-67.6-44.4174.2-174.967.9000111.1F738 I772 L774 I785 R786 E787 Q792 Y793F738-L789 HydrophobicContact CD1-CD1 4.09Å; F738-L789 HydrophobicContact CD2-CD1 4.31Å; F738-L789 HydrophobicContact CE1-CB 4.38Å; F738-L789 HydrophobicContact CE1-CD1 3.9Å; F738-L789 HydrophobicContact CE2-CB 4.04Å; F738-L789 HydrophobicContact CE2-CD1 4.15Å; F738-L789 HydrophobicContact CG-CD1 4.29Å; F738-L789 HydrophobicContact CZ-CB 3.71Å; F738-L789 HydrophobicContact CZ-CD1 3.94Å; F738-L789 HydrophobicContact CZ-CG 4.41Å; I772-L789 HydrophobicContact CG2-CD2 4.11Å; L774-L789 HydrophobicContact CD1-CD2 4.06Å; I785-L789 WeakPolarHBondContact O-CB 3.31Å; I785-L789 PolarHBondContact O-N 2.71Å; R786-L789 PolarHBondContact O-N 3Å; E787-L789 PolarHBondContact O-N 2.74Å; L789-Q792 PolarHBondContact O-N 2.89Å; L789-Y793 HydrophobicContact CG-CE2 4.34Å; L789-Y793 VanDerWaalsContact O-CD2 3.32Å; L789-Y793 WeakPolarHBondContact O-CD2 3.45Å
790Y72.8Confident72.4Confident111 Ų11165.9 Ų65.944%0.43531%0.308SS..Hα-helixtrans-64.7-38.7174.5-71.1-50.5000112.1R786 E787 Q792 Y793R786-Y790 HydrophobicContact CG-CD2 4.04Å; R786-Y790 HydrophobicContact CG-CE2 3.6Å; R786-Y790 PolarHBondContact NE-OH 2.88Å; R786-Y790 PolarHBondContact NH2-OH 2.79Å; R786-Y790 VanDerWaalsContact O-CD2 3.23Å; R786-Y790 WeakPolarHBondContact O-CD2 3.5Å; R786-Y790 PolarHBondContact O-N 2.75Å; E787-Y790 PolarHBondContact O-N 2.83Å; E787-Y790 VanDerWaalsContact O-N 3.1Å; Y790-Q792 PolarHBondContact O-N 2.97Å; Y790-Y793 PolarHBondContact O-N 2.94Å
791Q71Confident72Confident128 Ų12861.2 Ų61.260%0.59828%0.28SS*.Hα-helixtrans-63.5-18.6176.1-70176.610.700113.8E787E787-Q791 WeakPolarHBondContact O-CG 3.5Å; E787-Q791 PolarHBondContact O-N 2.88Å; E787-Q791 PolarHBondContact OE1-NE2 3.19Å
792Q67.2Low71.6Confident43 Ų4362.5 Ų62.520%0.20128%0.283CS..Hα-helixtrans-80.3-20.4171.3-74.4-152-28.700114.1F738 V741 L788 L789 Y790F738-Q792 HydrophobicContact CD2-CG 4.18Å; V741-Q792 VanDerWaalsContact CG2-NE2 3.28Å; L788-Q792 PolarHBondContact O-N 2.93Å; L789-Q792 PolarHBondContact O-N 2.89Å; Y790-Q792 PolarHBondContact O-N 2.97Å
793Y62.4Low70.9Confident40 Ų4063.9 Ų63.916%0.15729%0.292CS..SBendtrans-91.6132171.6-68.8-77000109.2F729 P733 L789 Y790 V795F729-Y793 HydrophobicContact CB-CD1 3.79Å; F729-Y793 HydrophobicContact CB-CE1 3.94Å; F729-Y793 AromaticContact CD1-CD1 3.69Å; F729-Y793 HydrophobicContact CD1-CD1 3.69Å; F729-Y793 HydrophobicContact CD1-CD2 4.08Å; F729-Y793 HydrophobicContact CD1-CE1 4.01Å; F729-Y793 HydrophobicContact CD1-CE2 4.39Å; F729-Y793 AromaticContact CD1-CG 3.7Å; F729-Y793 HydrophobicContact CD1-CG 3.7Å; F729-Y793 HydrophobicContact CE1-CD2 4.5Å; F729-Y793 HydrophobicContact CE1-CG 4.47Å; F729-Y793 HydrophobicContact CG-CD1 4.21Å; F729-Y793 HydrophobicContact CG-CE1 4.33Å; P733-Y793 VanDerWaalsContact CD-CE1 3.42Å; P733-Y793 HydrophobicContact CG-CE1 3.71Å; P733-Y793 HydrophobicContact CG-CE2 4.12Å; P733-Y793 VanDerWaalsContact CG-CZ 3.47Å; P733-Y793 WeakPolarHBondContact CG-OH 3.48Å; L789-Y793 HydrophobicContact CG-CE2 4.34Å; L789-Y793 VanDerWaalsContact O-CD2 3.32Å; L789-Y793 WeakPolarHBondContact O-CD2 3.45Å; Y790-Y793 PolarHBondContact O-N 2.94Å; Y793-V795 PolarHBondContact O-N 2.83Å
794A56Low70.1Confident18 Ų1859.3 Ų59.315%0.14928%0.277CS..EExtended strand (participates in β ladder)trans-76.7114.7152.900000106.2A624 V728 I730A624-A794 HydrophobicContact CB-CB 3.61Å; V728-A794 VanDerWaalsContact O-O 3.13Å; I730-A794 HydrophobicContact CB-CB 4.18Å; I730-A794 HydrophobicContact CD1-CB 4.35Å; I730-A794 PolarHBondContact N-O 3.15Å
795V54.7Low69.1Low71 Ų7158 Ų5843%0.4327%0.273SS..EExtended strand (participates in β ladder)trans-101.3116.2173.6-176.60000106.4F729 Y793F729-V795 HydrophobicContact CD1-CG2 4.05Å; F729-V795 HydrophobicContact CE1-CG2 3.87Å; Y793-V795 PolarHBondContact O-N 2.83Å
796V53.5Low68.1Low36 Ų3663.3 Ų63.322%0.21830%0.298CS..  trans-133.70-177.9-1630000108.8C622 L629 W631 S727 V728 I730C622-V796 HydrophobicContact CB-CG1 4.04Å; C622-V796 HydrophobicContact CB-CG2 3.67Å; L629-V796 HydrophobicContact CD2-CB 4.27Å; L629-V796 HydrophobicContact CD2-CG1 3.91Å; L629-V796 HydrophobicContact CD2-CG2 4.38Å; W631-V796 PolarHBondContact NE1-OXT 2.67Å; S727-V796 CarbonylContact C-O 3.34Å; S727-V796 WeakPolarHBondContact CA-O 3.44Å; V728-V796 PolarHBondContact N-O 3.02Å; I730-V796 HydrophobicContact CD1-CG2 4.01Å

Retrieved 796 of 796 residues in 1999.9 ms (Link to these results)

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