A0A093J7I6_STRCA Loading...

Cleavage and polyadenylation specificity factor subunit 2

AlphaFold DB , UniProt , Accession A0A093J7I6, Species STRCA (Struthio camelus australis), Gene n/a, Length 782 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
1M49.4Very low84.7Confident233 Ų23335.2 Ų35.2100%1.14818%0.182SC*.  0124.70-84.9-179.7-94.700105
2T65.6Low84.8Confident47 Ų4732.3 Ų32.329%0.28817%0.167SC..PPolyproline II helixtrans-95.7133.8179.534.80000109.6E167 E602 I605T2-E167 VanDerWaalsContact CA-OE1 3.31Å; T2-E167 WeakPolarHBondContact CA-OE1 3.34Å; T2-E602 WeakPolarHBondContact CB-OE2 3.49Å; T2-E602 HydrophobicContact CG2-CB 4.33Å; T2-E602 HydrophobicContact CG2-CG 3.7Å; T2-E602 WeakPolarHBondContact CG2-OE1 3.42Å; T2-E602 WeakPolarHBondContact CG2-OE2 3.43Å; T2-E602 PolarHBondContact OG1-OE2 3.41Å; T2-I605 VanDerWaalsContact OG1-CD1 3.26Å; T2-I605 WeakPolarHBondContact OG1-CD1 3.25Å
3S77.3Confident85Confident9 Ų930.4 Ų30.46%0.06316%0.158CC..PPolyproline II helixtrans-83147-175.9-730000111.9D26 E167S3-D26 WeakPolarHBondContact CA-OD1 3.34Å; S3-D26 WeakPolarHBondContact CB-OD1 3.29Å; S3-D26 PolarHBondContact OG-OD1 3.17Å; S3-D26 PolarHBondContact OG-OD2 2.92Å; S3-E167 WeakPolarHBondContact CB-OE2 3.37Å; S3-E167 PolarHBondContact N-OE1 2.9Å; S3-E167 PolarHBondContact OG-OE2 3.32Å
4I86.4Confident84.7Confident35 Ų3534 Ų3418%0.17917%0.174CC..PPolyproline II helixtrans-82.5118174.2-62.5171.9000108.1K6 V25 D26 T600 I605I4-K6 HydrophobicContact CG2-CG 4.16Å; I4-V25 CarbonylContact O-C 3.52Å; I4-V25 WeakPolarHBondContact O-CA 3.45Å; I4-D26 PolarHBondContact N-OD1 3.37Å; I4-D26 PolarHBondContact O-N 2.82Å; I4-T600 HydrophobicContact CB-CG2 4.4Å; I4-T600 HydrophobicContact CG2-CG2 4.31Å; I4-I605 HydrophobicContact CD1-CG2 4.18Å; I4-I605 HydrophobicContact CG1-CG2 3.91Å
5I91Very high84.6Confident7 Ų736.7 Ų36.74%0.03619%0.185CC..EExtended strand (participates in β ladder)trans-119.7108.3-180-53.5169.4000108.2L23 Q24 I170 L197 A599I5-L23 HydrophobicContact CG2-CD1 3.95Å; I5-Q24 WeakPolarHBondContact CA-O 3.24Å; I5-I170 HydrophobicContact CD1-CD1 3.78Å; I5-I170 HydrophobicContact CD1-CG1 4.2Å; I5-I170 HydrophobicContact CG1-CD1 4.13Å; I5-I170 HydrophobicContact CG2-CD1 4.09Å; I5-L197 HydrophobicContact CG2-CD2 3.79Å; I5-A599 HydrophobicContact CG2-CB 4.25Å; I5-A599 PolarHBondContact O-N 2.72Å
6K93.8Very high84.4Confident28 Ų2835.8 Ų35.812%0.12218%0.18CC..EExtended strand (participates in β ladder)trans-123.1134.6176.3-65.9-172.7177.7-1690109.9I4 Q24 T596 V597 E695I4-K6 HydrophobicContact CG2-CG 4.16Å; K6-Q24 HydrophobicContact CB-CB 4.31Å; K6-Q24 PolarHBondContact N-O 3.47Å; K6-Q24 PolarHBondContact O-N 2.95Å; K6-T596 HydrophobicContact CB-CG2 4Å; K6-T596 HydrophobicContact CD-CG2 4.25Å; K6-T596 HydrophobicContact CG-CG2 4.5Å; K6-V597 WeakPolarHBondContact CA-O 3.48Å; K6-E695 IonicContact NZ-OE1 3.28Å; K6-E695 PolarHBondContact NZ-OE1 2.81Å; K6-E695 IonicContact NZ-OE2 3.42Å; K6-E695 PolarHBondContact NZ-OE2 3.12Å; K6-E695 VanDerWaalsContact NZ-OE2 3.07Å
7L95.6Very high84.3Confident0 Ų034.6 Ų34.60%018%0.176CC..EExtended strand (participates in β ladder)trans-114.9120.6173.4-176.176.9000109.4L22 L23 L32 I199 I562 V564 T596 V597L7-L22 WeakPolarHBondContact CA-O 3.36Å; L7-L23 HydrophobicContact CB-CD1 4.48Å; L7-L23 HydrophobicContact CD1-CB 3.94Å; L7-L23 HydrophobicContact CD1-CD1 4.15Å; L7-L32 HydrophobicContact CD1-CD1 4.33Å; L7-I199 HydrophobicContact CD1-CD1 3.96Å; L7-I199 HydrophobicContact CD2-CD1 4.08Å; L7-I199 HydrophobicContact CD2-CG1 4.39Å; L7-I199 HydrophobicContact CD2-CG2 4.4Å; L7-I562 HydrophobicContact CB-CD1 4.01Å; L7-I562 HydrophobicContact CD2-CB 4.44Å; L7-I562 HydrophobicContact CD2-CD1 3.72Å; L7-I562 HydrophobicContact CD2-CG2 3.83Å; L7-V564 HydrophobicContact CD2-CG1 4.32Å; L7-T596 CarbonylContact O-C 3.59Å; L7-T596 WeakPolarHBondContact O-CA 3.45Å; L7-V597 PolarHBondContact N-O 2.93Å; L7-V597 PolarHBondContact O-N 3.12Å
8T95.3Very high84.6Confident23 Ų2332.7 Ų32.714%0.14117%0.167CC..EExtended strand (participates in β ladder)trans-104.7124.9171.6-51.80000109.5L10 L22 T596T8-L10 HydrophobicContact CG2-CD2 4.29Å; T8-L22 PolarHBondContact N-O 3.41Å; T8-L22 PolarHBondContact O-N 2.92Å; T8-T596 WeakPolarHBondContact CG2-OG1 3.41Å; T8-T596 WeakPolarHBondContact OG1-CG2 3.21Å; T8-T596 PolarHBondContact OG1-OG1 3.08Å
9T93.8Very high85Confident0 Ų031.1 Ų31.10%016%0.158CC..EExtended strand (participates in β ladder)trans-87.8109179.3430000110.4V13 Y21 P591 K592 H594 E595T9-V13 HydrophobicContact CG2-CG2 3.98Å; T9-Y21 HydrophobicContact CG2-CD1 3.91Å; T9-Y21 HydrophobicContact CG2-CE1 4.14Å; T9-P591 HydrophobicContact CG2-CB 3.87Å; T9-P591 HydrophobicContact CG2-CG 3.67Å; T9-K592 PolarHBondContact OG1-O 3.04Å; T9-H594 WeakPolarHBondContact O-CA 3.49Å; T9-H594 PolarHBondContact O-N 3.45Å; T9-E595 PolarHBondContact N-O 3.36Å; T9-E595 PolarHBondContact OG1-O 2.86Å; T9-E595 VanDerWaalsContact OG1-O 3.12Å
10L92.3Very high85.5Confident3 Ų329.6 Ų29.62%0.01615%0.151CC..EExtended strand (participates in β ladder)trans-85-39.9179.8-57.8178.3000111.4T8 C20 L22 L31 L48T8-L10 HydrophobicContact CG2-CD2 4.29Å; L10-C20 HydrophobicContact CB-CB 4.29Å; L10-C20 WeakPolarHBondContact CB-O 3.29Å; L10-C20 PolarHBondContact N-O 3.34Å; L10-C20 VanDerWaalsContact N-O 3.07Å; L10-L22 HydrophobicContact CD1-CB 4.43Å; L10-L31 HydrophobicContact CD1-CD1 4.09Å; L10-L48 HydrophobicContact CD1-CD1 3.96Å
11S91.7Very high86Confident2 Ų228.2 Ų28.21%0.01414%0.144CC..EExtended strand (participates in β ladder)trans-152.6176.317569.90000111.3A18 C20 Y21S11-A18 PolarHBondContact OG-O 3.32Å; S11-C20 PolarHBondContact N-O 2.86Å; S11-C20 VanDerWaalsContact OG-CB 3.26Å; S11-C20 WeakPolarHBondContact OG-CB 3.49Å; S11-C20 PolarHBondContact OG-N 3.48Å; S11-Y21 VanDerWaalsContact O-CE1 3.22Å; S11-Y21 WeakPolarHBondContact O-CE1 3.37Å
12G85.6Confident88.2Confident0 Ų017.3 Ų17.30%09%0.09CC..  trans7533.3169.900000113.2E15 A18 Y21 H565G12-E15 PolarHBondContact N-OE1 3.43Å; G12-A18 VanDerWaalsContact CA-O 3.23Å; G12-A18 WeakPolarHBondContact CA-O 3.31Å; G12-A18 PolarHBondContact N-O 3.45Å; G12-Y21 PolarHBondContact O-OH 3.38Å; G12-H565 WeakPolarHBondContact O-CA 3.38Å; G12-H565 PolarHBondContact O-N 3.27Å
13V87.6Confident89.7Confident8 Ų815.1 Ų15.15%0.0488%0.076CC..SBendtrans-129.5137.8178.2116.40000110.4T9 E15 V564 P591 L593T9-V13 HydrophobicContact CG2-CG2 3.98Å; V13-E15 PolarHBondContact O-N 3.41Å; V13-V564 HydrophobicContact CG2-CB 4.3Å; V13-V564 HydrophobicContact CG2-CG1 4.48Å; V13-P591 VanDerWaalsContact CG1-O 3.24Å; V13-P591 WeakPolarHBondContact CG1-O 3.38Å; V13-P591 HydrophobicContact CG2-CG 4.21Å; V13-L593 VanDerWaalsContact CG1-N 3.31Å
14Q80.8Confident90.5Very high81 Ų8116.6 Ų16.638%0.3798%0.083SC..SBendtrans57.917-175.4-66.5177.38.500113.7G566 P568Q14-G566 CarbonylContact C-O 3.58Å; Q14-G566 WeakPolarHBondContact CA-O 3.4Å; Q14-P568 HydrophobicContact CB-CG 4.03Å; Q14-P568 HydrophobicContact CG-CG 4.41Å; Q14-P568 WeakPolarHBondContact O-CD 3.48Å
15E83.1Confident90.8Very high74 Ų7415 Ų1535%0.3467%0.074SC..SBendtrans-149.5165-179.966.9-176.4175.400109.5G12 V13 S17 H565 G566G12-E15 PolarHBondContact N-OE1 3.43Å; V13-E15 PolarHBondContact O-N 3.41Å; E15-S17 VanDerWaalsContact C-N 3.27Å; E15-S17 WeakPolarHBondContact OE1-CB 3.25Å; E15-H565 PolarHBondContact O-ND1 3.29Å; E15-G566 PolarHBondContact N-O 3.21Å; E15-G566 PolarHBondContact O-N 2.86Å
16E81.8Confident90.7Very high23 Ų2316.7 Ų16.711%0.1078%0.084CC..SBendtrans-92.214.9178.1-68-172.2176.600112.1F203 T360 P361 R366E16-F203 HydrophobicContact CB-CD2 4.24Å; E16-F203 HydrophobicContact CB-CE2 3.72Å; E16-F203 HydrophobicContact CG-CD2 3.75Å; E16-F203 HydrophobicContact CG-CE2 3.41Å; E16-F203 VanDerWaalsContact CG-CE2 3.41Å; E16-T360 WeakPolarHBondContact O-CG2 3.43Å; E16-P361 HydrophobicContact CB-CG 4.19Å; E16-R366 IonicContact OE1-NH2 3.32Å; E16-R366 PolarHBondContact OE1-NH2 3.3Å; E16-R366 IonicContact OE2-CZ 2.92Å; E16-R366 IonicContact OE2-NE 3.73Å; E16-R366 IonicContact OE2-NH2 3Å; E16-R366 PolarHBondContact OE2-NH2 2.82Å
17S83Confident90.4Very high16 Ų1622.2 Ų22.211%0.11211%0.11CC..SBendtrans-81.2179.2-176.1-160.70000113.6E15 H565E15-S17 VanDerWaalsContact C-N 3.27Å; E15-S17 WeakPolarHBondContact OE1-CB 3.25Å; S17-H565 PolarHBondContact O-CE1 3.32Å; S17-H565 VanDerWaalsContact O-CE1 3.3Å; S17-H565 PolarHBondContact O-ND1 3.23Å
18A88.3Confident90.3Very high0 Ų022.8 Ų22.80%011%0.112CC..  trans-63149.4-174.800000114.4S11 G12 D37 I44 L66S11-A18 PolarHBondContact OG-O 3.32Å; G12-A18 VanDerWaalsContact CA-O 3.23Å; G12-A18 WeakPolarHBondContact CA-O 3.31Å; G12-A18 PolarHBondContact N-O 3.45Å; A18-D37 HydrophobicContact CB-CB 4.49Å; A18-I44 HydrophobicContact CB-CD1 4.21Å; A18-L66 HydrophobicContact CB-CD2 4.16Å
19L92.7Very high90.3Very high2 Ų224.8 Ų24.81%0.0112%0.117CC..  trans-93.5128.7-169.7-49.4-167.7000111.8Y21 D33 G35 L66 H67 V174 H565L19-Y21 HydrophobicContact CB-CE2 3.97Å; L19-Y21 HydrophobicContact CD1-CE2 4.49Å; L19-D33 HydrophobicContact CB-CB 4.25Å; L19-D33 CarbonylContact O-C 3.54Å; L19-G35 PolarHBondContact O-N 3.49Å; L19-L66 PolarHBondContact N-O 2.84Å; L19-H67 WeakPolarHBondContact CD1-NE2 3.41Å; L19-V174 HydrophobicContact CD1-CB 4.06Å; L19-V174 HydrophobicContact CD1-CG1 4.29Å; L19-V174 HydrophobicContact CD1-CG2 3.91Å; L19-H565 HydrophobicContact CD2-CB 3.77Å; L19-H565 VanDerWaalsContact CD2-CG 3.48Å; L19-H565 VanDerWaalsContact CD2-ND1 3.31Å; L19-H565 WeakPolarHBondContact CD2-ND1 3.19Å
20C95.1Very high90.5Very high1 Ų124.8 Ų24.81%0.00712%0.117CC..EExtended strand (participates in β ladder)trans-154.9116.1169.8-166.40000110.5L10 S11 D33L10-C20 HydrophobicContact CB-CB 4.29Å; L10-C20 WeakPolarHBondContact CB-O 3.29Å; L10-C20 PolarHBondContact N-O 3.34Å; L10-C20 VanDerWaalsContact N-O 3.07Å; S11-C20 PolarHBondContact N-O 2.86Å; S11-C20 VanDerWaalsContact OG-CB 3.26Å; S11-C20 WeakPolarHBondContact OG-CB 3.49Å; S11-C20 PolarHBondContact OG-N 3.48Å; C20-D33 PolarHBondContact SG-O 2.89Å; C20-D33 VanDerWaalsContact SG-O 3.36Å
21Y96.1Very high90.7Very high0 Ų024.7 Ų24.70%012%0.117CC..EExtended strand (participates in β ladder)trans-131.6142-177.4-45.5-68.9000111.9T9 S11 G12 L19 L31 L32 Y172 V564T9-Y21 HydrophobicContact CG2-CD1 3.91Å; T9-Y21 HydrophobicContact CG2-CE1 4.14Å; S11-Y21 VanDerWaalsContact O-CE1 3.22Å; S11-Y21 WeakPolarHBondContact O-CE1 3.37Å; G12-Y21 PolarHBondContact O-OH 3.38Å; L19-Y21 HydrophobicContact CB-CE2 3.97Å; L19-Y21 HydrophobicContact CD1-CE2 4.49Å; Y21-L31 CarbonylContact O-C 3.58Å; Y21-L31 WeakPolarHBondContact O-CA 3.22Å; Y21-L32 PolarHBondContact N-O 3.37Å; Y21-L32 PolarHBondContact O-N 3.22Å; Y21-Y172 AromaticContact CD2-CE2 3.75Å; Y21-Y172 HydrophobicContact CD2-CE2 3.75Å; Y21-Y172 HydrophobicContact CE2-CE2 4Å; Y21-Y172 WeakPolarHBondContact CE2-OH 3.46Å; Y21-V564 HydrophobicContact CD1-CG1 4.46Å; Y21-V564 HydrophobicContact CE1-CB 3.92Å; Y21-V564 HydrophobicContact CE1-CG1 3.98Å; Y21-V564 HydrophobicContact CE1-CG2 4.44Å; Y21-V564 HydrophobicContact CE2-CB 4.38Å; Y21-V564 HydrophobicContact CE2-CG2 4Å; Y21-V564 WeakPolarHBondContact OH-CB 3.46Å; Y21-V564 WeakPolarHBondContact OH-CG2 3.39Å
22L96.6Very high91Very high5 Ų524.6 Ų24.63%0.02612%0.116CC..EExtended strand (participates in β ladder)trans-107.1107175.6-173.869.9000109.3L7 T8 L10 R29 F30 L31 H51 V55L7-L22 WeakPolarHBondContact CA-O 3.36Å; T8-L22 PolarHBondContact N-O 3.41Å; T8-L22 PolarHBondContact O-N 2.92Å; L10-L22 HydrophobicContact CD1-CB 4.43Å; L22-R29 HydrophobicContact CD1-CB 4.14Å; L22-F30 CarbonylContact C-O 3.53Å; L22-L31 HydrophobicContact CD1-CD1 4.44Å; L22-H51 HydrophobicContact CD2-CB 4.12Å; L22-V55 HydrophobicContact CD1-CG2 3.97Å
23L96.1Very high91.5Very high0 Ų024.6 Ų24.60%012%0.116CC..EExtended strand (participates in β ladder)trans-98.9112.9176176.370.3000109.8I5 L7 V25 F30 L32 I162 I170 I199I5-L23 HydrophobicContact CG2-CD1 3.95Å; L7-L23 HydrophobicContact CB-CD1 4.48Å; L7-L23 HydrophobicContact CD1-CB 3.94Å; L7-L23 HydrophobicContact CD1-CD1 4.15Å; L23-V25 HydrophobicContact CD2-CG2 4.2Å; L23-V25 HydrophobicContact CG-CG2 4.09Å; L23-F30 HydrophobicContact CB-CB 4.29Å; L23-F30 HydrophobicContact CD2-CD2 4.49Å; L23-F30 PolarHBondContact N-O 2.77Å; L23-F30 PolarHBondContact O-N 2.99Å; L23-L32 HydrophobicContact CB-CD1 3.73Å; L23-L32 HydrophobicContact CB-CG 4.03Å; L23-L32 HydrophobicContact CD2-CD1 4.07Å; L23-L32 HydrophobicContact CG-CD1 4.48Å; L23-I162 HydrophobicContact CD2-CD1 3.67Å; L23-I170 HydrophobicContact CD2-CG2 4.15Å; L23-I199 HydrophobicContact CD1-CD1 4.46Å
24Q94.6Very high91.7Very high41 Ų4124.2 Ų24.219%0.19211%0.114CC..EExtended strand (participates in β ladder)trans-91.7126.6171.1-179.9178.2-13.300109.9I5 K6 D26 F28 R29I5-Q24 WeakPolarHBondContact CA-O 3.24Å; K6-Q24 HydrophobicContact CB-CB 4.31Å; K6-Q24 PolarHBondContact N-O 3.47Å; K6-Q24 PolarHBondContact O-N 2.95Å; Q24-D26 VanDerWaalsContact CG-O 3.28Å; Q24-D26 WeakPolarHBondContact CG-O 3.47Å; Q24-D26 PolarHBondContact NE2-O 2.99Å; Q24-F28 WeakPolarHBondContact CA-O 3.31Å; Q24-R29 HydrophobicContact CB-CG 4.37Å; Q24-R29 HydrophobicContact CG-CG 4.28Å
25V92.2Very high92.4Very high1 Ų120.4 Ų20.41%0.00610%0.096CC..EExtended strand (participates in β ladder)trans-123108.3169.5-171.70000108I4 L23 E27 F28 F30 L144 I170I4-V25 CarbonylContact O-C 3.52Å; I4-V25 WeakPolarHBondContact O-CA 3.45Å; L23-V25 HydrophobicContact CD2-CG2 4.2Å; L23-V25 HydrophobicContact CG-CG2 4.09Å; V25-E27 PolarHBondContact O-N 3.01Å; V25-F28 PolarHBondContact N-O 3.09Å; V25-F28 WeakPolarHBondContact O-CB 3.44Å; V25-F28 PolarHBondContact O-N 3.41Å; V25-F30 HydrophobicContact CG2-CD2 4.26Å; V25-F30 HydrophobicContact CG2-CE2 4.21Å; V25-L144 HydrophobicContact CB-CD2 4.35Å; V25-L144 HydrophobicContact CG1-CD2 3.81Å; V25-I170 HydrophobicContact CG2-CD1 3.87Å
26D88.4Confident92.8Very high43 Ų4317 Ų1723%0.238%0.08CC..THydrogen-bonded Turntrans56-116.2-167.2-59.3-38.9000111.5S3 I4 Q24 K164S3-D26 WeakPolarHBondContact CA-OD1 3.34Å; S3-D26 WeakPolarHBondContact CB-OD1 3.29Å; S3-D26 PolarHBondContact OG-OD1 3.17Å; S3-D26 PolarHBondContact OG-OD2 2.92Å; I4-D26 PolarHBondContact N-OD1 3.37Å; I4-D26 PolarHBondContact O-N 2.82Å; Q24-D26 VanDerWaalsContact CG-O 3.28Å; Q24-D26 WeakPolarHBondContact CG-O 3.47Å; Q24-D26 PolarHBondContact NE2-O 2.99Å; D26-K164 VanDerWaalsContact OD2-CE 3.31Å; D26-K164 WeakPolarHBondContact OD2-CE 3.16Å; D26-K164 IonicContact OD2-NZ 3.45Å; D26-K164 PolarHBondContact OD2-NZ 3.12Å
27E88.4Confident93.1Very high144 Ų14416.8 Ų16.867%0.6738%0.08SC*.THydrogen-bonded Turntrans-93.7-9.5176.4-61-175.616500112.6V25V25-E27 PolarHBondContact O-N 3.01Å
28F93.6Very high93.3Very high12 Ų1217.2 Ų17.25%0.0538%0.08CC..EExtended strand (participates in β ladder)trans-91.6133.4-174.8-166.9-86.8000111.1Q24 V25 F30 D56 A57 L137 K140 G141 L144Q24-F28 WeakPolarHBondContact CA-O 3.31Å; V25-F28 PolarHBondContact N-O 3.09Å; V25-F28 WeakPolarHBondContact O-CB 3.44Å; V25-F28 PolarHBondContact O-N 3.41Å; F28-F30 HydrophobicContact CD1-CD1 4.28Å; F28-F30 AromaticContact CD1-CD2 3.8Å; F28-F30 HydrophobicContact CD1-CD2 3.8Å; F28-F30 HydrophobicContact CD1-CE1 4.03Å; F28-F30 AromaticContact CD1-CE2 3.5Å; F28-F30 HydrophobicContact CD1-CE2 3.5Å; F28-F30 VanDerWaalsContact CD1-CE2 3.5Å; F28-F30 HydrophobicContact CD1-CG 4.19Å; F28-F30 AromaticContact CD1-CZ 3.62Å; F28-F30 HydrophobicContact CD1-CZ 3.62Å; F28-F30 AromaticContact CE1-CD1 3.69Å; F28-F30 HydrophobicContact CE1-CD1 3.69Å; F28-F30 HydrophobicContact CE1-CD2 4.07Å; F28-F30 AromaticContact CE1-CE1 3.41Å; F28-F30 HydrophobicContact CE1-CE1 3.41Å; F28-F30 VanDerWaalsContact CE1-CE1 3.41Å; F28-F30 AromaticContact CE1-CE2 3.8Å; F28-F30 HydrophobicContact CE1-CE2 3.8Å; F28-F30 HydrophobicContact CE1-CG 4.02Å; F28-F30 AromaticContact CE1-CZ 3.47Å; F28-F30 HydrophobicContact CE1-CZ 3.47Å; F28-F30 VanDerWaalsContact CE1-CZ 3.47Å; F28-F30 HydrophobicContact CZ-CE1 4.35Å; F28-D56 WeakPolarHBondContact CA-OD2 3.42Å; F28-D56 HydrophobicContact CD1-CB 4.43Å; F28-D56 HydrophobicContact CD2-CB 3.78Å; F28-D56 HydrophobicContact CE1-CB 4.04Å; F28-D56 HydrophobicContact CE2-CB 3.37Å; F28-D56 HydrophobicContact CG-CB 4.31Å; F28-D56 HydrophobicContact CZ-CB 3.51Å; F28-A57 HydrophobicContact CE1-CB 3.9Å; F28-A57 HydrophobicContact CZ-CB 3.71Å; F28-L137 HydrophobicContact CD1-CD1 4.48Å; F28-L137 HydrophobicContact CE1-CD1 3.82Å; F28-L137 HydrophobicContact CE2-CD1 4.4Å; F28-L137 HydrophobicContact CZ-CD1 3.76Å; F28-K140 HydrophobicContact CD2-CB 4.24Å; F28-G141 VanDerWaalsContact CD2-N 3.34Å; F28-L144 HydrophobicContact CB-CD1 3.74Å; F28-L144 HydrophobicContact CD1-CD1 3.9Å; F28-L144 HydrophobicContact CG-CD1 3.81Å
29R95.5Very high93.1Very high65 Ų6521.6 Ų21.625%0.24510%0.103CC..EExtended strand (participates in β ladder)trans-118.2116.9-177.7-53.8-171.6-170-165.45.9112.2L22 Q24 Q54 D56 A57L22-R29 HydrophobicContact CD1-CB 4.14Å; Q24-R29 HydrophobicContact CB-CG 4.37Å; Q24-R29 HydrophobicContact CG-CG 4.28Å; R29-Q54 WeakPolarHBondContact CB-O 3.48Å; R29-Q54 WeakPolarHBondContact CD-O 3.46Å; R29-D56 PolarHBondContact N-OD2 3Å; R29-D56 PolarHBondContact O-N 2.94Å; R29-A57 PolarHBondContact O-N 2.54Å
30F96.6Very high92.9Very high0 Ų022.3 Ų22.30%011%0.106CC..EExtended strand (participates in β ladder)trans-89.7129.7170-64.5-81.9000110.4L22 L23 V25 F28 L32 A57 L59 L137 L144 I146 I162L22-F30 CarbonylContact C-O 3.53Å; L23-F30 HydrophobicContact CB-CB 4.29Å; L23-F30 HydrophobicContact CD2-CD2 4.49Å; L23-F30 PolarHBondContact N-O 2.77Å; L23-F30 PolarHBondContact O-N 2.99Å; V25-F30 HydrophobicContact CG2-CD2 4.26Å; V25-F30 HydrophobicContact CG2-CE2 4.21Å; F28-F30 HydrophobicContact CD1-CD1 4.28Å; F28-F30 AromaticContact CD1-CD2 3.8Å; F28-F30 HydrophobicContact CD1-CD2 3.8Å; F28-F30 HydrophobicContact CD1-CE1 4.03Å; F28-F30 AromaticContact CD1-CE2 3.5Å; F28-F30 HydrophobicContact CD1-CE2 3.5Å; F28-F30 VanDerWaalsContact CD1-CE2 3.5Å; F28-F30 HydrophobicContact CD1-CG 4.19Å; F28-F30 AromaticContact CD1-CZ 3.62Å; F28-F30 HydrophobicContact CD1-CZ 3.62Å; F28-F30 AromaticContact CE1-CD1 3.69Å; F28-F30 HydrophobicContact CE1-CD1 3.69Å; F28-F30 HydrophobicContact CE1-CD2 4.07Å; F28-F30 AromaticContact CE1-CE1 3.41Å; F28-F30 HydrophobicContact CE1-CE1 3.41Å; F28-F30 VanDerWaalsContact CE1-CE1 3.41Å; F28-F30 AromaticContact CE1-CE2 3.8Å; F28-F30 HydrophobicContact CE1-CE2 3.8Å; F28-F30 HydrophobicContact CE1-CG 4.02Å; F28-F30 AromaticContact CE1-CZ 3.47Å; F28-F30 HydrophobicContact CE1-CZ 3.47Å; F28-F30 VanDerWaalsContact CE1-CZ 3.47Å; F28-F30 HydrophobicContact CZ-CE1 4.35Å; F30-L32 HydrophobicContact CB-CD2 4.11Å; F30-A57 CarbonylContact C-O 3.57Å; F30-A57 WeakPolarHBondContact CA-O 3.31Å; F30-A57 HydrophobicContact CD1-CB 4.18Å; F30-A57 HydrophobicContact CE1-CB 4.39Å; F30-L59 HydrophobicContact CD1-CD1 3.89Å; F30-L59 HydrophobicContact CD1-CD2 4.36Å; F30-L59 HydrophobicContact CD1-CG 3.96Å; F30-L59 HydrophobicContact CE1-CD1 4.29Å; F30-L59 HydrophobicContact CG-CD1 4.5Å; F30-L137 HydrophobicContact CE1-CD1 3.56Å; F30-L137 HydrophobicContact CZ-CD1 3.42Å; F30-L137 VanDerWaalsContact CZ-CD1 3.42Å; F30-L144 HydrophobicContact CE2-CD1 3.96Å; F30-L144 HydrophobicContact CZ-CD1 4.09Å; F30-I146 HydrophobicContact CE1-CG2 3.9Å; F30-I146 HydrophobicContact CZ-CG2 4.11Å; F30-I162 HydrophobicContact CD2-CD1 4.4Å; F30-I162 HydrophobicContact CE2-CG2 4Å; F30-I162 HydrophobicContact CZ-CG2 4.14Å
31L97.2Very high92.5Very high0 Ų023.9 Ų23.90%012%0.117CC..EExtended strand (participates in β ladder)trans-89109160.2-169.970.6000108L10 Y21 L22 C34 L48 V55 A57 V58 L59L10-L31 HydrophobicContact CD1-CD1 4.09Å; Y21-L31 CarbonylContact O-C 3.58Å; Y21-L31 WeakPolarHBondContact O-CA 3.22Å; L22-L31 HydrophobicContact CD1-CD1 4.44Å; L31-C34 HydrophobicContact CD2-CB 4.01Å; L31-L48 HydrophobicContact CD1-CD1 3.73Å; L31-L48 HydrophobicContact CD2-CD1 3.82Å; L31-L48 HydrophobicContact CG-CD1 4.46Å; L31-V55 HydrophobicContact CB-CG1 3.73Å; L31-V55 HydrophobicContact CB-CG2 4.24Å; L31-A57 PolarHBondContact N-O 3.33Å; L31-V58 HydrophobicContact CB-CG1 4.49Å; L31-V58 HydrophobicContact CB-CG2 4.07Å; L31-V58 HydrophobicContact CD2-CG1 4.48Å; L31-V58 HydrophobicContact CD2-CG2 4.07Å; L31-V58 CarbonylContact O-C 3.53Å; L31-V58 VanDerWaalsContact O-CA 3.32Å; L31-V58 WeakPolarHBondContact O-CA 3.15Å; L31-L59 PolarHBondContact O-N 2.75Å
32L97Very high92.1Very high0 Ų027.2 Ų27.20%013%0.134CC..EExtended strand (participates in β ladder)trans-88.9108.7175.7-52.5176.2000108L7 Y21 L23 F30 L59 I162 Y172 I199L7-L32 HydrophobicContact CD1-CD1 4.33Å; Y21-L32 PolarHBondContact N-O 3.37Å; Y21-L32 PolarHBondContact O-N 3.22Å; L23-L32 HydrophobicContact CB-CD1 3.73Å; L23-L32 HydrophobicContact CB-CG 4.03Å; L23-L32 HydrophobicContact CD2-CD1 4.07Å; L23-L32 HydrophobicContact CG-CD1 4.48Å; F30-L32 HydrophobicContact CB-CD2 4.11Å; L32-L59 HydrophobicContact CD2-CB 4.13Å; L32-L59 HydrophobicContact CD2-CD1 3.76Å; L32-L59 HydrophobicContact CD2-CG 4.24Å; L32-I162 HydrophobicContact CD2-CD1 4.3Å; L32-Y172 HydrophobicContact CB-CD1 4.49Å; L32-Y172 HydrophobicContact CB-CD2 4.42Å; L32-Y172 HydrophobicContact CB-CE1 4.26Å; L32-Y172 HydrophobicContact CB-CE2 4.19Å; L32-Y172 HydrophobicContact CD1-CD2 3.68Å; L32-Y172 HydrophobicContact CD1-CE2 4.13Å; L32-Y172 HydrophobicContact CD1-CG 3.95Å; L32-I199 HydrophobicContact CD1-CD1 4.1Å
33D96.6Very high91.6Very high0 Ų032.7 Ų32.70%016%0.163CC..EExtended strand (participates in β ladder)trans56.2153.8-172.4-68.1-42000114.9L19 C20 L59 L60 S61 H67 Y172L19-D33 HydrophobicContact CB-CB 4.25Å; L19-D33 CarbonylContact O-C 3.54Å; C20-D33 PolarHBondContact SG-O 2.89Å; C20-D33 VanDerWaalsContact SG-O 3.36Å; D33-L59 PolarHBondContact N-O 3.43Å; D33-L60 VanDerWaalsContact OD1-CA 3.32Å; D33-L60 WeakPolarHBondContact OD1-CA 3.46Å; D33-S61 VanDerWaalsContact CG-OG 3.22Å; D33-S61 PolarHBondContact OD1-N 2.9Å; D33-S61 PolarHBondContact OD1-OG 2.56Å; D33-S61 VanDerWaalsContact OD2-CB 3.24Å; D33-S61 WeakPolarHBondContact OD2-CB 3.37Å; D33-S61 PolarHBondContact OD2-OG 3.5Å; D33-H67 WeakPolarHBondContact CB-O 3.41Å; D33-H67 IonicContact OD2-CD2 3.92Å; D33-H67 PolarHBondContact OD2-CD2 3.5Å; D33-Y172 WeakPolarHBondContact OD2-CE1 3.29Å; D33-Y172 PolarHBondContact OD2-OH 3.41Å
34C93.3Very high91.1Very high1 Ų133 Ų331%0.00717%0.165CC..EExtended strand (participates in β ladder)trans-14463.2176.854.70000108.5L31 H67 L68 G69 A70 L71L31-C34 HydrophobicContact CD2-CB 4.01Å; C34-H67 CarbonylContact C-O 3.44Å; C34-H67 VanDerWaalsContact C-O 3.3Å; C34-H67 PolarHBondContact N-O 2.92Å; C34-L68 CarbonylContact O-C 3.53Å; C34-L68 VanDerWaalsContact O-C 3.26Å; C34-L68 WeakPolarHBondContact O-CA 3.23Å; C34-G69 PolarHBondContact O-N 2.93Å; C34-A70 WeakPolarHBondContact O-CA 3.33Å; C34-A70 WeakPolarHBondContact O-CB 3.39Å; C34-A70 PolarHBondContact O-N 3.31Å; C34-L71 VanDerWaalsContact SG-CD1 3.53Å
35G93.7Very high90.8Very high0 Ų031 Ų310%016%0.155CC..  trans-69.4159.2177.600000113.5L19 P65 L66 H67 A70L19-G35 PolarHBondContact O-N 3.49Å; G35-P65 WeakPolarHBondContact CA-O 3.43Å; G35-L66 VanDerWaalsContact CA-C 3.46Å; G35-L66 WeakPolarHBondContact CA-O 3.19Å; G35-H67 PolarHBondContact N-O 3.27Å; G35-A70 WeakPolarHBondContact O-CB 3.3Å
36W92.8Very high90.7Very high2 Ų234.6 Ų34.61%0.00818%0.175CC..  trans-129.8143.3164.9-143.2-14.2000109.3F40 S41 M42 I45 P65 A70 Y73 L113 F114W36-F40 HydrophobicContact CD2-CB 4.33Å; W36-F40 AromaticContact CD2-CD1 3.47Å; W36-F40 HydrophobicContact CD2-CD1 3.47Å; W36-F40 VanDerWaalsContact CD2-CD1 3.47Å; W36-F40 HydrophobicContact CD2-CE1 4.21Å; W36-F40 HydrophobicContact CD2-CG 4.34Å; W36-F40 AromaticContact CE2-CD1 3.78Å; W36-F40 AromaticContact CE3-CD1 3.44Å; W36-F40 HydrophobicContact CE3-CD1 3.44Å; W36-F40 VanDerWaalsContact CE3-CD1 3.44Å; W36-F40 AromaticContact CE3-CE1 3.91Å; W36-F40 HydrophobicContact CE3-CE1 3.91Å; W36-F40 HydrophobicContact CG-CD1 4.02Å; W36-F40 HydrophobicContact CH2-CB 4.39Å; W36-F40 AromaticContact CH2-CD1 3.99Å; W36-F40 HydrophobicContact CH2-CD1 3.99Å; W36-F40 HydrophobicContact CZ2-CB 3.8Å; W36-F40 HydrophobicContact CZ2-CD1 4.03Å; W36-F40 HydrophobicContact CZ2-CG 4.44Å; W36-F40 AromaticContact CZ3-CD1 3.71Å; W36-F40 HydrophobicContact CZ3-CD1 3.71Å; W36-F40 HydrophobicContact CZ3-CE1 4.31Å; W36-F40 VanDerWaalsContact NE1-CA 3.33Å; W36-S41 PolarHBondContact NE1-O 2.83Å; W36-M42 HydrophobicContact CH2-CE 4.01Å; W36-M42 HydrophobicContact CZ2-CE 3.68Å; W36-M42 HydrophobicContact CZ2-SD 4.15Å; W36-I45 HydrophobicContact CD2-CD1 4.22Å; W36-I45 HydrophobicContact CE3-CD1 4.48Å; W36-I45 HydrophobicContact CH2-CD1 4.29Å; W36-I45 HydrophobicContact CH2-CG1 4.2Å; W36-I45 HydrophobicContact CZ2-CD1 3.98Å; W36-I45 HydrophobicContact CZ2-CG1 3.57Å; W36-P65 PolarHBondContact N-O 3.47Å; W36-A70 HydrophobicContact CB-CB 4.1Å; W36-A70 HydrophobicContact CD2-CB 4.33Å; W36-A70 HydrophobicContact CE3-CB 4.32Å; W36-A70 HydrophobicContact CG-CB 4.26Å; W36-Y73 AromaticContact CH2-CD2 3.87Å; W36-Y73 HydrophobicContact CH2-CD2 3.87Å; W36-Y73 HydrophobicContact CH2-CE2 4.39Å; W36-Y73 HydrophobicContact CH2-CG 4.1Å; W36-Y73 HydrophobicContact CZ3-CD2 4.06Å; W36-Y73 HydrophobicContact CZ3-CG 4.05Å; W36-L113 HydrophobicContact CH2-CB 4.15Å; W36-L113 HydrophobicContact CH2-CD1 3.81Å; W36-L113 HydrophobicContact CH2-CG 4.45Å; W36-L113 HydrophobicContact CZ2-CD1 4.24Å; W36-L113 HydrophobicContact CZ3-CB 4.42Å; W36-L113 HydrophobicContact CZ3-CD1 4.38Å; W36-F114 HydrophobicContact CZ3-CD1 4.28Å
37D88Confident90.7Very high19 Ų1933.1 Ų33.110%0.10217%0.167CC..  trans-71.9160.8174.561-18.6000110.9A18 N39 F40 S41A18-D37 HydrophobicContact CB-CB 4.49Å; D37-N39 PolarHBondContact O-N 2.92Å; D37-N39 VanDerWaalsContact O-N 3.12Å; D37-F40 PolarHBondContact O-N 3.14Å; D37-F40 WeakPolarHBondContact OD1-CA 3.22Å; D37-F40 PolarHBondContact OD1-N 2.85Å; D37-F40 VanDerWaalsContact OD1-N 3.13Å; D37-S41 PolarHBondContact OD1-N 2.91Å; D37-S41 PolarHBondContact OD1-OG 3.29Å; D37-S41 VanDerWaalsContact OD1-OG 3.1Å; D37-S41 WeakPolarHBondContact OD2-CB 3.32Å; D37-S41 PolarHBondContact OD2-N 2.8Å; D37-S41 PolarHBondContact OD2-OG 2.83Å
38E85.9Confident90.7Very high25 Ų2526.3 Ų26.312%0.11714%0.135CC..THydrogen-bonded Turntrans-61.9-24.2-176.6-62.689.5151.300112F40 R105 D332 T360 T363E38-F40 WeakPolarHBondContact O-CD2 3.42Å; E38-F40 WeakPolarHBondContact O-CE2 3.39Å; E38-R105 PolarHBondContact O-NH2 3.18Å; E38-D332 WeakPolarHBondContact CB-OD2 3.34Å; E38-D332 HydrophobicContact CG-CB 4.25Å; E38-D332 WeakPolarHBondContact CG-OD2 3.24Å; E38-T360 PolarHBondContact OE1-N 3.11Å; E38-T360 PolarHBondContact OE1-OG1 3.11Å; E38-T360 VanDerWaalsContact OE2-CB 3.32Å; E38-T360 WeakPolarHBondContact OE2-CB 3.43Å; E38-T360 WeakPolarHBondContact OE2-CG2 3.45Å; E38-T360 PolarHBondContact OE2-OG1 3.33Å; E38-T363 HydrophobicContact CB-CG2 4.2Å; E38-T363 HydrophobicContact CG-CG2 4.49Å
39N84.7Confident90.5Very high93 Ų9331.9 Ų31.950%0.49716%0.156SC..THydrogen-bonded Turntrans-92.3-3178.1-70.6-21.1000114.4D37D37-N39 PolarHBondContact O-N 2.92Å; D37-N39 VanDerWaalsContact O-N 3.12Å
40F87.8Confident90.2Very high17 Ų1736.1 Ų36.18%0.07518%0.176CC..  trans56.149.5179.9-58.5-89.8000114W36 D37 E38 M42 L101 F111 L113 F114W36-F40 HydrophobicContact CD2-CB 4.33Å; W36-F40 AromaticContact CD2-CD1 3.47Å; W36-F40 HydrophobicContact CD2-CD1 3.47Å; W36-F40 VanDerWaalsContact CD2-CD1 3.47Å; W36-F40 HydrophobicContact CD2-CE1 4.21Å; W36-F40 HydrophobicContact CD2-CG 4.34Å; W36-F40 AromaticContact CE2-CD1 3.78Å; W36-F40 AromaticContact CE3-CD1 3.44Å; W36-F40 HydrophobicContact CE3-CD1 3.44Å; W36-F40 VanDerWaalsContact CE3-CD1 3.44Å; W36-F40 AromaticContact CE3-CE1 3.91Å; W36-F40 HydrophobicContact CE3-CE1 3.91Å; W36-F40 HydrophobicContact CG-CD1 4.02Å; W36-F40 HydrophobicContact CH2-CB 4.39Å; W36-F40 AromaticContact CH2-CD1 3.99Å; W36-F40 HydrophobicContact CH2-CD1 3.99Å; W36-F40 HydrophobicContact CZ2-CB 3.8Å; W36-F40 HydrophobicContact CZ2-CD1 4.03Å; W36-F40 HydrophobicContact CZ2-CG 4.44Å; W36-F40 AromaticContact CZ3-CD1 3.71Å; W36-F40 HydrophobicContact CZ3-CD1 3.71Å; W36-F40 HydrophobicContact CZ3-CE1 4.31Å; W36-F40 VanDerWaalsContact NE1-CA 3.33Å; D37-F40 PolarHBondContact O-N 3.14Å; D37-F40 WeakPolarHBondContact OD1-CA 3.22Å; D37-F40 PolarHBondContact OD1-N 2.85Å; D37-F40 VanDerWaalsContact OD1-N 3.13Å; E38-F40 WeakPolarHBondContact O-CD2 3.42Å; E38-F40 WeakPolarHBondContact O-CE2 3.39Å; F40-M42 PolarHBondContact O-N 2.61Å; F40-L101 HydrophobicContact CE1-CD2 4.34Å; F40-L101 HydrophobicContact CZ-CD1 4.09Å; F40-L101 HydrophobicContact CZ-CD2 3.86Å; F40-L101 HydrophobicContact CZ-CG 4.07Å; F40-F111 HydrophobicContact CD2-CE2 4.44Å; F40-F111 HydrophobicContact CE1-CE2 4.42Å; F40-F111 HydrophobicContact CE1-CZ 4.11Å; F40-F111 HydrophobicContact CE2-CE2 4.27Å; F40-F111 HydrophobicContact CZ-CE2 4.21Å; F40-F111 HydrophobicContact CZ-CZ 4.17Å; F40-L113 HydrophobicContact CB-CD1 3.41Å; F40-L113 VanDerWaalsContact CB-CD1 3.41Å; F40-L113 HydrophobicContact CD1-CD1 3.64Å; F40-L113 HydrophobicContact CD2-CD1 4.3Å; F40-L113 HydrophobicContact CG-CD1 3.5Å; F40-L113 VanDerWaalsContact CG-CD1 3.5Å; F40-F114 AromaticContact CE1-CE1 3.96Å; F40-F114 HydrophobicContact CE1-CE1 3.96Å
41S86.7Confident89.8Confident33 Ų3338 Ų3823%0.23119%0.185CC..  trans-60131.4176.5600000111.2W36 D37 D43W36-S41 PolarHBondContact NE1-O 2.83Å; D37-S41 PolarHBondContact OD1-N 2.91Å; D37-S41 PolarHBondContact OD1-OG 3.29Å; D37-S41 VanDerWaalsContact OD1-OG 3.1Å; D37-S41 WeakPolarHBondContact OD2-CB 3.32Å; D37-S41 PolarHBondContact OD2-N 2.8Å; D37-S41 PolarHBondContact OD2-OG 2.83Å; S41-D43 PolarHBondContact O-N 2.81Å
42M88.1Confident89.5Confident70 Ų7038.4 Ų38.435%0.34519%0.188SC..Hα-helixtrans-77.5-10.2-179.9-68.8-67.3157.300112.6W36 F40 I44 I45 D46 L113W36-M42 HydrophobicContact CH2-CE 4.01Å; W36-M42 HydrophobicContact CZ2-CE 3.68Å; W36-M42 HydrophobicContact CZ2-SD 4.15Å; F40-M42 PolarHBondContact O-N 2.61Å; M42-I44 VanDerWaalsContact C-N 3.31Å; M42-I44 PolarHBondContact O-N 2.83Å; M42-I45 WeakPolarHBondContact O-CB 3.08Å; M42-I45 PolarHBondContact O-N 2.85Å; M42-I45 VanDerWaalsContact O-N 3.14Å; M42-I45 HydrophobicContact SD-CB 4.26Å; M42-I45 HydrophobicContact SD-CG1 4.21Å; M42-I45 HydrophobicContact SD-CG2 4.14Å; M42-D46 WeakPolarHBondContact O-CB 3.48Å; M42-D46 PolarHBondContact O-N 2.89Å; M42-L113 HydrophobicContact CE-CD1 4.36Å; M42-L113 HydrophobicContact CE-CD2 3.54Å
43D86.8Confident89.1Confident120 Ų12046.4 Ų46.464%0.64223%0.225SC*.Hα-helixtrans-62.2-39.3-179.8-61.3-34.6000111.9S41 S47S41-D43 PolarHBondContact O-N 2.81Å; D43-S47 WeakPolarHBondContact O-CB 3.41Å; D43-S47 PolarHBondContact O-N 3.07Å; D43-S47 VanDerWaalsContact O-N 3.1Å; D43-S47 PolarHBondContact O-OG 3.01Å
44I85.9Confident88.8Confident7 Ų750.4 Ų50.44%0.03624%0.243CC..Hα-helixtrans-64.2-45175.2-55.5179.7000109.9A18 M42 S47 L48A18-I44 HydrophobicContact CB-CD1 4.21Å; M42-I44 VanDerWaalsContact C-N 3.31Å; M42-I44 PolarHBondContact O-N 2.83Å; I44-S47 WeakPolarHBondContact O-CB 3.4Å; I44-S47 PolarHBondContact O-N 3.49Å; I44-L48 WeakPolarHBondContact O-CB 3.46Å; I44-L48 PolarHBondContact O-N 3.47Å
45I88.7Confident88.9Confident0 Ų050.8 Ų50.80%025%0.246CC..Hα-helixtrans-64-45.9-178.4-63.9-53000111.1W36 M42 S47 L48 R49 A70 Y73 M78W36-I45 HydrophobicContact CD2-CD1 4.22Å; W36-I45 HydrophobicContact CE3-CD1 4.48Å; W36-I45 HydrophobicContact CH2-CD1 4.29Å; W36-I45 HydrophobicContact CH2-CG1 4.2Å; W36-I45 HydrophobicContact CZ2-CD1 3.98Å; W36-I45 HydrophobicContact CZ2-CG1 3.57Å; M42-I45 WeakPolarHBondContact O-CB 3.08Å; M42-I45 PolarHBondContact O-N 2.85Å; M42-I45 VanDerWaalsContact O-N 3.14Å; M42-I45 HydrophobicContact SD-CB 4.26Å; M42-I45 HydrophobicContact SD-CG1 4.21Å; M42-I45 HydrophobicContact SD-CG2 4.14Å; I45-S47 VanDerWaalsContact C-N 3.3Å; I45-S47 PolarHBondContact O-N 3.33Å; I45-L48 PolarHBondContact O-N 3.39Å; I45-R49 WeakPolarHBondContact O-CB 3.49Å; I45-R49 PolarHBondContact O-N 3.08Å; I45-A70 HydrophobicContact CD1-CB 3.95Å; I45-Y73 HydrophobicContact CD1-CD1 4.03Å; I45-Y73 HydrophobicContact CG2-CD1 4.08Å; I45-Y73 HydrophobicContact CG2-CE1 3.49Å; I45-Y73 VanDerWaalsContact CG2-CE1 3.49Å; I45-M78 HydrophobicContact CB-CE 3.79Å; I45-M78 HydrophobicContact CD1-CE 3.85Å; I45-M78 HydrophobicContact CG1-CE 4.34Å; I45-M78 HydrophobicContact CG2-CE 3.15Å; I45-M78 VanDerWaalsContact O-CE 3.23Å; I45-M78 WeakPolarHBondContact O-CE 3.47Å
46D89.4Confident89Confident76 Ų7652.8 Ų52.841%0.40626%0.256SS..Hα-helixtrans-67.3-33.2178.6-74.5-23.1000112M42M42-D46 WeakPolarHBondContact O-CB 3.48Å; M42-D46 PolarHBondContact O-N 2.89Å
47S88Confident89.1Confident11 Ų1152.7 Ų52.78%0.07726%0.256CS..Hα-helixtrans-69.2-42.7174.3-590000112D43 I44 I45 H51 H594D43-S47 WeakPolarHBondContact O-CB 3.41Å; D43-S47 PolarHBondContact O-N 3.07Å; D43-S47 VanDerWaalsContact O-N 3.1Å; D43-S47 PolarHBondContact O-OG 3.01Å; I44-S47 WeakPolarHBondContact O-CB 3.4Å; I44-S47 PolarHBondContact O-N 3.49Å; I45-S47 VanDerWaalsContact C-N 3.3Å; I45-S47 PolarHBondContact O-N 3.33Å; S47-H51 PolarHBondContact O-ND1 3.27Å; S47-H594 PolarHBondContact OG-NE2 2.84Å
48L88.9Confident89.6Confident1 Ų151.8 Ų51.81%0.00525%0.251CS..Hα-helixtrans-68.5-38.3177.4-175.863.6000111.9L10 L31 I44 I45 K50 H51 V52 A74 M78L10-L48 HydrophobicContact CD1-CD1 3.96Å; L31-L48 HydrophobicContact CD1-CD1 3.73Å; L31-L48 HydrophobicContact CD2-CD1 3.82Å; L31-L48 HydrophobicContact CG-CD1 4.46Å; I44-L48 WeakPolarHBondContact O-CB 3.46Å; I44-L48 PolarHBondContact O-N 3.47Å; I45-L48 PolarHBondContact O-N 3.39Å; L48-K50 PolarHBondContact O-N 2.98Å; L48-K50 VanDerWaalsContact O-N 3.16Å; L48-H51 CarbonylContact O-C 3.48Å; L48-H51 PolarHBondContact O-N 2.83Å; L48-V52 HydrophobicContact CG-CG2 4.43Å; L48-V52 PolarHBondContact O-N 2.86Å; L48-A74 HydrophobicContact CD2-CB 4.06Å; L48-M78 HydrophobicContact CB-CE 4.45Å; L48-M78 HydrophobicContact CD2-CE 4.37Å; L48-M78 HydrophobicContact CD2-SD 4.12Å; L48-M78 HydrophobicContact CG-SD 4.26Å
49R89.2Confident90.1Very high129 Ų12950.6 Ų50.649%0.48725%0.246SC..Hα-helixtrans-55-36.3-179.7-173.6179.7-68.2178.91.8112.7I45 H51I45-R49 WeakPolarHBondContact O-CB 3.49Å; I45-R49 PolarHBondContact O-N 3.08Å; R49-H51 PolarHBondContact O-N 3.34Å
50K88.9Confident90.8Very high154 Ų15446.2 Ų46.267%0.6722%0.222SC*.THydrogen-bonded Turntrans-65-27.2177.6-64.6174.3-174173.40113.2L48L48-K50 PolarHBondContact O-N 2.98Å; L48-K50 VanDerWaalsContact O-N 3.16Å
51H88.5Confident91.2Very high41 Ų4145.4 Ų45.419%0.1922%0.219CC..THydrogen-bonded Turntrans-109.1-11.5-172.2-59.295.3000113.4L22 S47 L48 R49 H53 Q54 V55L22-H51 HydrophobicContact CD2-CB 4.12Å; S47-H51 PolarHBondContact O-ND1 3.27Å; L48-H51 CarbonylContact O-C 3.48Å; L48-H51 PolarHBondContact O-N 2.83Å; R49-H51 PolarHBondContact O-N 3.34Å; H51-H53 VanDerWaalsContact C-N 3.26Å; H51-H53 PolarHBondContact O-N 3.01Å; H51-H53 VanDerWaalsContact O-N 3.11Å; H51-Q54 WeakPolarHBondContact O-CA 3.35Å; H51-Q54 WeakPolarHBondContact O-CB 3.28Å; H51-Q54 PolarHBondContact O-N 3.47Å; H51-V55 PolarHBondContact O-N 3.38Å
52V89.7Confident91.7Very high8 Ų843.8 Ų43.85%0.04821%0.208CC..G310 helixtrans-52.1-39.5-173115.40000113.5L48 Q54 M78 L80L48-V52 HydrophobicContact CG-CG2 4.43Å; L48-V52 PolarHBondContact O-N 2.86Å; V52-Q54 PolarHBondContact O-N 2.86Å; V52-M78 HydrophobicContact CG2-CB 4.09Å; V52-M78 HydrophobicContact CG2-SD 4.03Å; V52-L80 HydrophobicContact CG2-CB 4.29Å; V52-L80 HydrophobicContact CG2-CD1 3.94Å
53H89.3Confident92.1Very high168 Ų16840.5 Ų40.578%0.77819%0.191SC*.G310 helixtrans-75.6-11.8-179.3-57.6-57.3000114H51H51-H53 VanDerWaalsContact C-N 3.26Å; H51-H53 PolarHBondContact O-N 3.01Å; H51-H53 VanDerWaalsContact O-N 3.11Å
54Q91Very high92.5Very high83 Ų8335 Ų3539%0.38816%0.162SC..G310 helixtrans-102.1-9.8-176.2-58.7167.19.700111.7R29 H51 V52R29-Q54 WeakPolarHBondContact CB-O 3.48Å; R29-Q54 WeakPolarHBondContact CD-O 3.46Å; H51-Q54 WeakPolarHBondContact O-CA 3.35Å; H51-Q54 WeakPolarHBondContact O-CB 3.28Å; H51-Q54 PolarHBondContact O-N 3.47Å; V52-Q54 PolarHBondContact O-N 2.86Å
55V94.8Very high93Very high10 Ų1036 Ų366%0.06117%0.168CC..  trans-78.5125.8-179.21770000110.1L22 L31 H51 V58 L80L22-V55 HydrophobicContact CD1-CG2 3.97Å; L31-V55 HydrophobicContact CB-CG1 3.73Å; L31-V55 HydrophobicContact CB-CG2 4.24Å; H51-V55 PolarHBondContact O-N 3.38Å; V55-V58 HydrophobicContact CG1-CG2 4.23Å; V55-L80 HydrophobicContact CB-CD1 4.15Å; V55-L80 HydrophobicContact CG1-CD1 4.29Å
56D94.9Very high93.2Very high41 Ų4136.9 Ų36.922%0.21917%0.173CC..  trans-99.3-29.2178.8-59.1-68.8000112.5F28 R29 C82 K140F28-D56 WeakPolarHBondContact CA-OD2 3.42Å; F28-D56 HydrophobicContact CD1-CB 4.43Å; F28-D56 HydrophobicContact CD2-CB 3.78Å; F28-D56 HydrophobicContact CE1-CB 4.04Å; F28-D56 HydrophobicContact CE2-CB 3.37Å; F28-D56 HydrophobicContact CG-CB 4.31Å; F28-D56 HydrophobicContact CZ-CB 3.51Å; R29-D56 PolarHBondContact N-OD2 3Å; R29-D56 PolarHBondContact O-N 2.94Å; D56-C82 WeakPolarHBondContact O-CB 3.23Å; D56-K140 IonicContact OD1-NZ 3.35Å
57A95.9Very high93.5Very high1 Ų133.2 Ų33.21%0.00815%0.154CC..EExtended strand (participates in β ladder)trans-151.2151.9174.200000112.5F28 R29 F30 L31 A83 Y85F28-A57 HydrophobicContact CE1-CB 3.9Å; F28-A57 HydrophobicContact CZ-CB 3.71Å; R29-A57 PolarHBondContact O-N 2.54Å; F30-A57 CarbonylContact C-O 3.57Å; F30-A57 WeakPolarHBondContact CA-O 3.31Å; F30-A57 HydrophobicContact CD1-CB 4.18Å; F30-A57 HydrophobicContact CE1-CB 4.39Å; L31-A57 PolarHBondContact N-O 3.33Å; A57-A83 VanDerWaalsContact CA-O 3.29Å; A57-A83 WeakPolarHBondContact CA-O 3.15Å; A57-Y85 HydrophobicContact CB-CD2 4.28Å; A57-Y85 HydrophobicContact CB-CE2 3.99Å
58V97.5Very high93.9Very high0 Ų032.7 Ų32.70%015%0.15CC..EExtended strand (participates in β ladder)trans-112.2134.7173.9-177.90000109.1L31 V55 L60 L80 A83 I84 Y85L31-V58 HydrophobicContact CB-CG1 4.49Å; L31-V58 HydrophobicContact CB-CG2 4.07Å; L31-V58 HydrophobicContact CD2-CG1 4.48Å; L31-V58 HydrophobicContact CD2-CG2 4.07Å; L31-V58 CarbonylContact O-C 3.53Å; L31-V58 VanDerWaalsContact O-CA 3.32Å; L31-V58 WeakPolarHBondContact O-CA 3.15Å; V55-V58 HydrophobicContact CG1-CG2 4.23Å; V58-L60 HydrophobicContact CG1-CD2 3.87Å; V58-L60 HydrophobicContact CG1-CG 4.31Å; V58-L80 HydrophobicContact CG2-CD2 3.88Å; V58-A83 PolarHBondContact N-O 2.85Å; V58-I84 HydrophobicContact CB-CB 4.32Å; V58-I84 HydrophobicContact CB-CG1 4.02Å; V58-I84 HydrophobicContact CB-CG2 4.09Å; V58-I84 HydrophobicContact CG1-CG2 4.22Å; V58-I84 HydrophobicContact CG2-CG1 4.15Å; V58-Y85 PolarHBondContact O-N 3.39Å
59L98.1Very high94.2Very high0 Ų032.7 Ų32.70%015%0.15CC..EExtended strand (participates in β ladder)trans-113.3118.2172.2-57.4-174.6000108.6F30 L31 L32 D33 Y85 I146 W160 I162F30-L59 HydrophobicContact CD1-CD1 3.89Å; F30-L59 HydrophobicContact CD1-CD2 4.36Å; F30-L59 HydrophobicContact CD1-CG 3.96Å; F30-L59 HydrophobicContact CE1-CD1 4.29Å; F30-L59 HydrophobicContact CG-CD1 4.5Å; L31-L59 PolarHBondContact O-N 2.75Å; L32-L59 HydrophobicContact CD2-CB 4.13Å; L32-L59 HydrophobicContact CD2-CD1 3.76Å; L32-L59 HydrophobicContact CD2-CG 4.24Å; D33-L59 PolarHBondContact N-O 3.43Å; L59-Y85 HydrophobicContact CD2-CD2 3.9Å; L59-Y85 HydrophobicContact CD2-CG 4.2Å; L59-I146 HydrophobicContact CD1-CG2 4.44Å; L59-I146 HydrophobicContact CD2-CD1 3.81Å; L59-I146 HydrophobicContact CD2-CG2 4.47Å; L59-W160 HydrophobicContact CB-CD2 4.03Å; L59-W160 HydrophobicContact CB-CG 4.18Å; L59-W160 HydrophobicContact CB-CZ2 4.3Å; L59-W160 HydrophobicContact CD1-CB 4.2Å; L59-W160 HydrophobicContact CD1-CD2 4.02Å; L59-W160 HydrophobicContact CD1-CE3 4.16Å; L59-W160 HydrophobicContact CD1-CG 4.05Å; L59-W160 HydrophobicContact CD2-CD2 4.32Å; L59-W160 HydrophobicContact CD2-CE3 4.12Å; L59-W160 HydrophobicContact CD2-CH2 4.2Å; L59-W160 HydrophobicContact CD2-CZ2 4.41Å; L59-W160 HydrophobicContact CD2-CZ3 4.06Å; L59-W160 HydrophobicContact CG-CD2 4.35Å; L59-I162 HydrophobicContact CD1-CD1 3.81Å; L59-I162 HydrophobicContact CD1-CG1 4.17Å
60L98.2Very high94.5Very high0 Ų026.5 Ų26.50%013%0.127CC..  trans-98.6131.2176.9-59.8178.1000110.6D33 V58 L68 L71 I84 Y85 A86 V90 I126 T158 W160D33-L60 VanDerWaalsContact OD1-CA 3.32Å; D33-L60 WeakPolarHBondContact OD1-CA 3.46Å; V58-L60 HydrophobicContact CG1-CD2 3.87Å; V58-L60 HydrophobicContact CG1-CG 4.31Å; L60-L68 HydrophobicContact CD1-CB 4.2Å; L60-L68 HydrophobicContact CD1-CD2 4.4Å; L60-L68 HydrophobicContact CD2-CB 3.99Å; L60-L71 HydrophobicContact CD1-CD2 3.89Å; L60-I84 HydrophobicContact CD1-CG2 3.8Å; L60-I84 HydrophobicContact CG-CG2 4Å; L60-Y85 PolarHBondContact N-O 3.06Å; L60-A86 HydrophobicContact CB-CB 4.04Å; L60-A86 HydrophobicContact CD1-CB 4.2Å; L60-V90 HydrophobicContact CB-CG1 4.13Å; L60-I126 HydrophobicContact CD1-CD1 4.05Å; L60-T158 PolarHBondContact O-OG1 3.43Å; L60-W160 WeakPolarHBondContact O-CZ2 3.25Å; L60-W160 PolarHBondContact O-NE1 2.92Å
61S96.8Very high94.8Very high0 Ų019.2 Ų19.20%010%0.095CC..  trans-91.3-50.6-176.5670000112.9D33 H67 G157 T158D33-S61 VanDerWaalsContact CG-OG 3.22Å; D33-S61 PolarHBondContact OD1-N 2.9Å; D33-S61 PolarHBondContact OD1-OG 2.56Å; D33-S61 VanDerWaalsContact OD2-CB 3.24Å; D33-S61 WeakPolarHBondContact OD2-CB 3.37Å; D33-S61 PolarHBondContact OD2-OG 3.5Å; S61-H67 PolarHBondContact OG-CD2 3.24Å; S61-G157 CarbonylContact O-C 3.58Å; S61-G157 WeakPolarHBondContact O-CA 3.38Å; S61-T158 VanDerWaalsContact CA-OG1 3.28Å; S61-T158 WeakPolarHBondContact CA-OG1 3.34Å; S61-T158 PolarHBondContact O-N 3.13Å; S61-T158 PolarHBondContact O-OG1 3Å
62H97.1Very high95.1Very high0 Ų017.2 Ų17.20%09%0.086CC..  trans-132.6157.7-172-63.388.1000112.1D64 H67 H153 V174H62-D64 VanDerWaalsContact C-N 3.33Å; H62-D64 WeakPolarHBondContact CB-OD1 3.37Å; H62-D64 PolarHBondContact O-N 3.25Å; H62-H67 HydrophobicContact CB-CB 4.16Å; H62-H67 AromaticContact ND1-CD2 3.83Å; H62-H67 AromaticContact ND1-CE1 3.92Å; H62-H67 AromaticContact ND1-NE2 3.57Å; H62-H153 AromaticContact CD2-CD2 3.67Å; H62-H153 AromaticContact NE2-CD2 3.95Å; H62-V174 PolarHBondContact CE1-O 3.09Å
63P96.9Very high95.3Very high0 Ų018.5 Ų18.50%09%0.09CC..SBendtrans-78.8-6.2-174.229.4-33.4000115.3M93 G94 F97 M154P63-M93 HydrophobicContact CB-CB 3.92Å; P63-M93 HydrophobicContact CG-CB 4.4Å; P63-G94 VanDerWaalsContact O-CA 3.26Å; P63-G94 WeakPolarHBondContact O-CA 3.45Å; P63-F97 HydrophobicContact CB-CD2 4.01Å; P63-F97 HydrophobicContact CB-CE2 4.05Å; P63-F97 HydrophobicContact CG-CD2 4.5Å; P63-F97 HydrophobicContact CG-CE2 4.03Å; P63-F97 WeakPolarHBondContact O-CD2 3.46Å; P63-F97 WeakPolarHBondContact O-CG 3.18Å; P63-M154 HydrophobicContact CG-CB 4.04Å; P63-M154 HydrophobicContact CG-SD 3.87Å
64D95.5Very high95.5Very high6 Ų610.5 Ų10.53%0.0325%0.053CC..SBendtrans-87.6161.8-170.662.6-46.7000113.4H62 L66 H67 L68 F97 M154H62-D64 VanDerWaalsContact C-N 3.33Å; H62-D64 WeakPolarHBondContact CB-OD1 3.37Å; H62-D64 PolarHBondContact O-N 3.25Å; D64-L66 PolarHBondContact O-N 3.38Å; D64-L66 VanDerWaalsContact O-N 3.14Å; D64-H67 VanDerWaalsContact CG-ND1 3.29Å; D64-H67 PolarHBondContact O-N 3.43Å; D64-H67 IonicContact OD1-CE1 3.18Å; D64-H67 IonicContact OD1-CG 3.53Å; D64-H67 IonicContact OD1-ND1 3.07Å; D64-H67 PolarHBondContact OD1-ND1 2.94Å; D64-H67 IonicContact OD2-CE1 3.44Å; D64-H67 IonicContact OD2-ND1 2.78Å; D64-H67 PolarHBondContact OD2-ND1 2.84Å; D64-L68 PolarHBondContact O-N 3.46Å; D64-L68 VanDerWaalsContact O-N 3.11Å; D64-F97 HydrophobicContact CB-CE1 4.2Å; D64-F97 HydrophobicContact CB-CZ 4.17Å; D64-M154 HydrophobicContact CB-CE 3.83Å; D64-M154 HydrophobicContact CB-SD 3.98Å
65P95.2Very high95.6Very high26 Ų267 Ų717%0.1694%0.037CC..Hα-helixtrans-59.2-28.1-176.7-26.436.5000114.4G35 W36 H67 G69 F97 L101G35-P65 WeakPolarHBondContact CA-O 3.43Å; W36-P65 PolarHBondContact N-O 3.47Å; P65-H67 PolarHBondContact O-N 3.43Å; P65-G69 WeakPolarHBondContact O-CA 3.47Å; P65-G69 PolarHBondContact O-N 3.13Å; P65-F97 HydrophobicContact CG-CD1 4.35Å; P65-L101 HydrophobicContact CB-CD2 4.01Å; P65-L101 HydrophobicContact CG-CD2 3.88Å
66L94.1Very high95.3Very high19 Ų198.2 Ų8.210%0.0995%0.052CC..Hα-helixtrans-68.2-14.1178.4-60.9177.5000113.7A18 L19 G35 D64 T360A18-L66 HydrophobicContact CB-CD2 4.16Å; L19-L66 PolarHBondContact N-O 2.84Å; G35-L66 VanDerWaalsContact CA-C 3.46Å; G35-L66 WeakPolarHBondContact CA-O 3.19Å; D64-L66 PolarHBondContact O-N 3.38Å; D64-L66 VanDerWaalsContact O-N 3.14Å; L66-T360 HydrophobicContact CD2-CG2 4.33Å
67H95.9Very high95Very high0 Ų011.8 Ų11.80%07%0.065CC..Hα-helixtrans-115.9-29.1179.7-63.391.4000113.2L19 D33 C34 G35 S61 H62 D64 P65 D175L19-H67 WeakPolarHBondContact CD1-NE2 3.41Å; D33-H67 WeakPolarHBondContact CB-O 3.41Å; D33-H67 IonicContact OD2-CD2 3.92Å; D33-H67 PolarHBondContact OD2-CD2 3.5Å; C34-H67 CarbonylContact C-O 3.44Å; C34-H67 VanDerWaalsContact C-O 3.3Å; C34-H67 PolarHBondContact N-O 2.92Å; G35-H67 PolarHBondContact N-O 3.27Å; S61-H67 PolarHBondContact OG-CD2 3.24Å; H62-H67 HydrophobicContact CB-CB 4.16Å; H62-H67 AromaticContact ND1-CD2 3.83Å; H62-H67 AromaticContact ND1-CE1 3.92Å; H62-H67 AromaticContact ND1-NE2 3.57Å; D64-H67 VanDerWaalsContact CG-ND1 3.29Å; D64-H67 PolarHBondContact O-N 3.43Å; D64-H67 IonicContact OD1-CE1 3.18Å; D64-H67 IonicContact OD1-CG 3.53Å; D64-H67 IonicContact OD1-ND1 3.07Å; D64-H67 PolarHBondContact OD1-ND1 2.94Å; D64-H67 IonicContact OD2-CE1 3.44Å; D64-H67 IonicContact OD2-ND1 2.78Å; D64-H67 PolarHBondContact OD2-ND1 2.84Å; P65-H67 PolarHBondContact O-N 3.43Å; H67-D175 IonicContact CE1-OD2 3.3Å; H67-D175 PolarHBondContact CE1-OD2 3.39Å; H67-D175 VanDerWaalsContact CE1-OD2 3.24Å; H67-D175 IonicContact NE2-OD2 2.79Å; H67-D175 PolarHBondContact NE2-OD2 3.08Å
68L95.8Very high94.6Very high0 Ų012.9 Ų12.90%07%0.071CC..Hα-helixtrans-132.25.4-178.763.571.9000115.8C34 L60 D64 A70 L71 V90 M98 F123C34-L68 CarbonylContact O-C 3.53Å; C34-L68 VanDerWaalsContact O-C 3.26Å; C34-L68 WeakPolarHBondContact O-CA 3.23Å; L60-L68 HydrophobicContact CD1-CB 4.2Å; L60-L68 HydrophobicContact CD1-CD2 4.4Å; L60-L68 HydrophobicContact CD2-CB 3.99Å; D64-L68 PolarHBondContact O-N 3.46Å; D64-L68 VanDerWaalsContact O-N 3.11Å; L68-A70 VanDerWaalsContact C-N 3.3Å; L68-A70 PolarHBondContact O-N 2.77Å; L68-L71 WeakPolarHBondContact O-CB 3.42Å; L68-L71 PolarHBondContact O-N 2.86Å; L68-V90 HydrophobicContact CD2-CG1 4.14Å; L68-M98 HydrophobicContact CD1-CG 3.79Å; L68-M98 HydrophobicContact CD1-SD 3.72Å; L68-F123 HydrophobicContact CD1-CZ 4.04Å; L68-F123 HydrophobicContact CD2-CZ 4.23Å
69G94.8Very high94.1Very high0 Ų015.2 Ų15.20%09%0.094CC..THydrogen-bonded Turntrans-63.4-28.5-171.700000115.1C34 P65 L71 M98C34-G69 PolarHBondContact O-N 2.93Å; P65-G69 WeakPolarHBondContact O-CA 3.47Å; P65-G69 PolarHBondContact O-N 3.13Å; G69-L71 VanDerWaalsContact C-N 3.32Å; G69-M98 VanDerWaalsContact O-CE 3.29Å; G69-M98 WeakPolarHBondContact O-CE 3.33Å
70A95.3Very high93.8Very high0 Ų015.4 Ų15.40%010%0.095CC..THydrogen-bonded Turntrans-85.2-8.3178.200000112.5C34 G35 W36 I45 L68 Y73 A74C34-A70 WeakPolarHBondContact O-CA 3.33Å; C34-A70 WeakPolarHBondContact O-CB 3.39Å; C34-A70 PolarHBondContact O-N 3.31Å; G35-A70 WeakPolarHBondContact O-CB 3.3Å; W36-A70 HydrophobicContact CB-CB 4.1Å; W36-A70 HydrophobicContact CD2-CB 4.33Å; W36-A70 HydrophobicContact CE3-CB 4.32Å; W36-A70 HydrophobicContact CG-CB 4.26Å; I45-A70 HydrophobicContact CD1-CB 3.95Å; L68-A70 VanDerWaalsContact C-N 3.3Å; L68-A70 PolarHBondContact O-N 2.77Å; A70-Y73 PolarHBondContact O-N 3.17Å; A70-A74 WeakPolarHBondContact O-CB 3.29Å; A70-A74 PolarHBondContact O-N 3.27Å
71L95.4Very high93.3Very high0 Ų022.2 Ų22.20%013%0.132CC..Hα-helixtrans-60-47-175.4-170.871.3000113.6C34 L60 L68 G69 Y73 A74 V75 I84 A122 I126C34-L71 VanDerWaalsContact SG-CD1 3.53Å; L60-L71 HydrophobicContact CD1-CD2 3.89Å; L68-L71 WeakPolarHBondContact O-CB 3.42Å; L68-L71 PolarHBondContact O-N 2.86Å; G69-L71 VanDerWaalsContact C-N 3.32Å; L71-Y73 VanDerWaalsContact C-N 3.27Å; L71-Y73 PolarHBondContact O-N 3.22Å; L71-A74 PolarHBondContact O-N 2.79Å; L71-V75 HydrophobicContact CD1-CG2 4.18Å; L71-V75 HydrophobicContact CG-CG2 4.38Å; L71-V75 WeakPolarHBondContact O-CG2 3.4Å; L71-V75 PolarHBondContact O-N 3.05Å; L71-I84 HydrophobicContact CD1-CD1 3.86Å; L71-I84 HydrophobicContact CD1-CG1 4.45Å; L71-I84 HydrophobicContact CD2-CD1 4.37Å; L71-I84 HydrophobicContact CG-CD1 4.49Å; L71-A122 HydrophobicContact CD2-CB 4.38Å; L71-A122 HydrophobicContact CG-CB 4.16Å; L71-I126 HydrophobicContact CD2-CD1 4.07Å
72P95.2Very high93.1Very high0 Ų023.1 Ų23.10%014%0.138CC..Hα-helixtrans-59.7-39.5177.7-26.238.8000112.4G76 M98 F114 D118 V119P72-G76 PolarHBondContact O-N 3.32Å; P72-M98 HydrophobicContact CG-CE 3.69Å; P72-M98 HydrophobicContact CG-CG 4.3Å; P72-F114 HydrophobicContact CB-CB 4.14Å; P72-F114 HydrophobicContact CB-CD2 4.1Å; P72-F114 HydrophobicContact CB-CG 4.11Å; P72-D118 HydrophobicContact CB-CB 4.34Å; P72-V119 HydrophobicContact CB-CG2 4.09Å; P72-V119 HydrophobicContact CG-CG2 3.97Å
73Y94.2Very high93Very high34 Ų3424.3 Ų24.313%0.13315%0.148CC..Hα-helixtrans-68.6-44176.9-169.7-80.1000111.8W36 I45 A70 L71 V75 K77 M78 L113W36-Y73 AromaticContact CH2-CD2 3.87Å; W36-Y73 HydrophobicContact CH2-CD2 3.87Å; W36-Y73 HydrophobicContact CH2-CE2 4.39Å; W36-Y73 HydrophobicContact CH2-CG 4.1Å; W36-Y73 HydrophobicContact CZ3-CD2 4.06Å; W36-Y73 HydrophobicContact CZ3-CG 4.05Å; I45-Y73 HydrophobicContact CD1-CD1 4.03Å; I45-Y73 HydrophobicContact CG2-CD1 4.08Å; I45-Y73 HydrophobicContact CG2-CE1 3.49Å; I45-Y73 VanDerWaalsContact CG2-CE1 3.49Å; A70-Y73 PolarHBondContact O-N 3.17Å; L71-Y73 VanDerWaalsContact C-N 3.27Å; L71-Y73 PolarHBondContact O-N 3.22Å; Y73-V75 PolarHBondContact O-N 3.33Å; Y73-K77 HydrophobicContact CD1-CB 4.3Å; Y73-K77 HydrophobicContact CD2-CG 4.1Å; Y73-K77 HydrophobicContact CE1-CB 4.1Å; Y73-K77 HydrophobicContact CE2-CB 4.35Å; Y73-K77 HydrophobicContact CE2-CG 4.06Å; Y73-K77 HydrophobicContact CG-CG 4.43Å; Y73-K77 WeakPolarHBondContact O-CA 3.38Å; Y73-K77 WeakPolarHBondContact O-CB 3.22Å; Y73-K77 PolarHBondContact O-N 2.91Å; Y73-M78 HydrophobicContact CD1-CE 3.79Å; Y73-M78 HydrophobicContact CD1-CG 4.14Å; Y73-M78 HydrophobicContact CE1-CE 3.79Å; Y73-M78 HydrophobicContact CE1-CG 4.09Å; Y73-M78 PolarHBondContact O-N 2.63Å; Y73-L113 VanDerWaalsContact CD2-O 3.23Å; Y73-L113 WeakPolarHBondContact CD2-O 3.42Å
74A93.6Very high93Very high0 Ų024.4 Ų24.40%015%0.148CC..Hα-helixtrans-63.1-41179.100000112L48 A70 L71 M78 G79 L80L48-A74 HydrophobicContact CD2-CB 4.06Å; A70-A74 WeakPolarHBondContact O-CB 3.29Å; A70-A74 PolarHBondContact O-N 3.27Å; L71-A74 PolarHBondContact O-N 2.79Å; A74-M78 HydrophobicContact CB-SD 4.28Å; A74-M78 CarbonylContact O-C 3.57Å; A74-M78 VanDerWaalsContact O-CB 3.3Å; A74-M78 WeakPolarHBondContact O-CB 2.84Å; A74-M78 PolarHBondContact O-N 2.86Å; A74-G79 PolarHBondContact O-N 3.13Å; A74-L80 HydrophobicContact CB-CB 4.41Å; A74-L80 HydrophobicContact CB-CD2 4.25Å; A74-L80 WeakPolarHBondContact O-CB 3.37Å; A74-L80 PolarHBondContact O-N 3.34Å
75V93.2Very high93.1Very high10 Ų1025 Ų256%0.06115%0.15CC..Hα-helixtrans-75.9-50.7178.8175.60000111.7L71 Y73 L80 I84 A122 K125L71-V75 HydrophobicContact CD1-CG2 4.18Å; L71-V75 HydrophobicContact CG-CG2 4.38Å; L71-V75 WeakPolarHBondContact O-CG2 3.4Å; L71-V75 PolarHBondContact O-N 3.05Å; Y73-V75 PolarHBondContact O-N 3.33Å; V75-L80 HydrophobicContact CG2-CB 4.35Å; V75-I84 HydrophobicContact CG2-CD1 4.25Å; V75-A122 HydrophobicContact CB-CB 3.92Å; V75-A122 HydrophobicContact CG1-CB 4.32Å; V75-A122 HydrophobicContact CG2-CB 3.96Å; V75-K125 HydrophobicContact CG1-CD 4Å
76G88.3Confident93.3Very high35 Ų3523.8 Ų23.836%0.36114%0.142SC..Hα-helixtrans-75.3-37.3-173.100000114.2P72P72-G76 PolarHBondContact O-N 3.32Å
77K88.3Confident93.5Very high117 Ų11722.9 Ų22.951%0.50914%0.137SC..THydrogen-bonded Turntrans-107.8-38.1-174.3-53.6-58.8-179.2-158.60113.9Y73 D118Y73-K77 HydrophobicContact CD1-CB 4.3Å; Y73-K77 HydrophobicContact CD2-CG 4.1Å; Y73-K77 HydrophobicContact CE1-CB 4.1Å; Y73-K77 HydrophobicContact CE2-CB 4.35Å; Y73-K77 HydrophobicContact CE2-CG 4.06Å; Y73-K77 HydrophobicContact CG-CG 4.43Å; Y73-K77 WeakPolarHBondContact O-CA 3.38Å; Y73-K77 WeakPolarHBondContact O-CB 3.22Å; Y73-K77 PolarHBondContact O-N 2.91Å; K77-D118 IonicContact NZ-OD1 2.95Å; K77-D118 IonicContact NZ-OD2 3.48Å
78M87.8Confident93.5Very high24 Ų2424.6 Ų24.612%0.11815%0.146CC..SBendtrans-87.5-12.9179.9-52.4-177.3178.500113.7I45 L48 V52 Y73 A74I45-M78 HydrophobicContact CB-CE 3.79Å; I45-M78 HydrophobicContact CD1-CE 3.85Å; I45-M78 HydrophobicContact CG1-CE 4.34Å; I45-M78 HydrophobicContact CG2-CE 3.15Å; I45-M78 VanDerWaalsContact O-CE 3.23Å; I45-M78 WeakPolarHBondContact O-CE 3.47Å; L48-M78 HydrophobicContact CB-CE 4.45Å; L48-M78 HydrophobicContact CD2-CE 4.37Å; L48-M78 HydrophobicContact CD2-SD 4.12Å; L48-M78 HydrophobicContact CG-SD 4.26Å; V52-M78 HydrophobicContact CG2-CB 4.09Å; V52-M78 HydrophobicContact CG2-SD 4.03Å; Y73-M78 HydrophobicContact CD1-CE 3.79Å; Y73-M78 HydrophobicContact CD1-CG 4.14Å; Y73-M78 HydrophobicContact CE1-CE 3.79Å; Y73-M78 HydrophobicContact CE1-CG 4.09Å; Y73-M78 PolarHBondContact O-N 2.63Å; A74-M78 HydrophobicContact CB-SD 4.28Å; A74-M78 CarbonylContact O-C 3.57Å; A74-M78 VanDerWaalsContact O-CB 3.3Å; A74-M78 WeakPolarHBondContact O-CB 2.84Å; A74-M78 PolarHBondContact O-N 2.86Å
79G86.6Confident93.6Very high48 Ų4824.6 Ų24.650%0.49515%0.146SC..  trans75.831.6179.300000114A74 N81A74-G79 PolarHBondContact O-N 3.13Å; G79-N81 PolarHBondContact O-N 3.29Å; G79-N81 VanDerWaalsContact O-N 3.15Å
80L91.2Very high93.8Very high4 Ų424.7 Ų24.72%0.02115%0.147CC..  trans-60.2118173.9-173.368.9000110.5V52 V55 V58 A74 V75 K125V52-L80 HydrophobicContact CG2-CB 4.29Å; V52-L80 HydrophobicContact CG2-CD1 3.94Å; V55-L80 HydrophobicContact CB-CD1 4.15Å; V55-L80 HydrophobicContact CG1-CD1 4.29Å; V58-L80 HydrophobicContact CG2-CD2 3.88Å; A74-L80 HydrophobicContact CB-CB 4.41Å; A74-L80 HydrophobicContact CB-CD2 4.25Å; A74-L80 WeakPolarHBondContact O-CB 3.37Å; A74-L80 PolarHBondContact O-N 3.34Å; V75-L80 HydrophobicContact CG2-CB 4.35Å; L80-K125 PolarHBondContact O-NZ 3.5Å
81N89.1Confident93.9Very high143 Ų14325.7 Ų25.777%0.76515%0.151SC*.  trans-127.381-173.816115.1000108.2G79G79-N81 PolarHBondContact O-N 3.29Å; G79-N81 VanDerWaalsContact O-N 3.15Å
82C92.2Very high93.9Very high19 Ų1928.5 Ų28.513%0.12816%0.163CC..SBendtrans-152.6167.6177.660.10000110.4D56 I84D56-C82 WeakPolarHBondContact O-CB 3.23Å; C82-I84 PolarHBondContact O-N 2.77Å
83A94.4Very high94Very high26 Ų2628.5 Ų28.522%0.21516%0.163CC..EExtended strand (participates in β ladder)trans-71.4127.7173.400000110A57 V58 Y85A57-A83 VanDerWaalsContact CA-O 3.29Å; A57-A83 WeakPolarHBondContact CA-O 3.15Å; V58-A83 PolarHBondContact N-O 2.85Å; A83-Y85 HydrophobicContact CB-CE2 3.76Å
84I97.5Very high94.1Very high1 Ų126.9 Ų26.91%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-105.9128.9175.3-56.5158000107.3V58 L60 L71 V75 C82 K125 I126 Q127V58-I84 HydrophobicContact CB-CB 4.32Å; V58-I84 HydrophobicContact CB-CG1 4.02Å; V58-I84 HydrophobicContact CB-CG2 4.09Å; V58-I84 HydrophobicContact CG1-CG2 4.22Å; V58-I84 HydrophobicContact CG2-CG1 4.15Å; L60-I84 HydrophobicContact CD1-CG2 3.8Å; L60-I84 HydrophobicContact CG-CG2 4Å; L71-I84 HydrophobicContact CD1-CD1 3.86Å; L71-I84 HydrophobicContact CD1-CG1 4.45Å; L71-I84 HydrophobicContact CD2-CD1 4.37Å; L71-I84 HydrophobicContact CG-CD1 4.49Å; V75-I84 HydrophobicContact CG2-CD1 4.25Å; C82-I84 PolarHBondContact O-N 2.77Å; I84-K125 HydrophobicContact CD1-CB 4.07Å; I84-I126 HydrophobicContact CB-CG1 4.02Å; I84-I126 HydrophobicContact CD1-CG1 4.33Å; I84-I126 HydrophobicContact CG2-CD1 4.3Å; I84-I126 HydrophobicContact CG2-CG1 3.76Å; I84-I126 HydrophobicContact CG2-CG2 4.5Å; I84-I126 CarbonylContact O-C 3.47Å; I84-I126 WeakPolarHBondContact O-CA 3.23Å; I84-Q127 PolarHBondContact O-N 2.86Å
85Y98.1Very high94.3Very high19 Ų1927.8 Ų27.88%0.07516%0.161CC..EExtended strand (participates in β ladder)trans-113128.4179.9-62.3-82.6000110.2A57 V58 L59 L60 A83 Q127 L129 V135 L137 I146 W160A57-Y85 HydrophobicContact CB-CD2 4.28Å; A57-Y85 HydrophobicContact CB-CE2 3.99Å; V58-Y85 PolarHBondContact O-N 3.39Å; L59-Y85 HydrophobicContact CD2-CD2 3.9Å; L59-Y85 HydrophobicContact CD2-CG 4.2Å; L60-Y85 PolarHBondContact N-O 3.06Å; A83-Y85 HydrophobicContact CB-CE2 3.76Å; Y85-Q127 HydrophobicContact CD1-CB 3.92Å; Y85-Q127 HydrophobicContact CE1-CB 4.07Å; Y85-Q127 HydrophobicContact CE1-CG 4.46Å; Y85-L129 HydrophobicContact CD1-CD1 4.04Å; Y85-L129 HydrophobicContact CD1-CD2 4.32Å; Y85-L129 HydrophobicContact CD1-CG 4.37Å; Y85-V135 HydrophobicContact CE1-CG1 3.99Å; Y85-L137 HydrophobicContact CE2-CD2 3.89Å; Y85-L137 WeakPolarHBondContact OH-CD2 3.47Å; Y85-I146 HydrophobicContact CD1-CD1 3.74Å; Y85-I146 HydrophobicContact CD2-CD1 3.67Å; Y85-I146 HydrophobicContact CE1-CD1 4.09Å; Y85-I146 HydrophobicContact CE2-CD1 4.04Å; Y85-I146 HydrophobicContact CG-CD1 3.51Å; Y85-W160 WeakPolarHBondContact O-CZ2 3.29Å
86A98.1Very high94.4Very high0 Ų027.6 Ų27.60%016%0.159CC..EExtended strand (participates in β ladder)trans-151.3161176.300000109.6L60 V90 I126 Q127 Q128 L129L60-A86 HydrophobicContact CB-CB 4.04Å; L60-A86 HydrophobicContact CD1-CB 4.2Å; A86-V90 HydrophobicContact CB-CB 4.09Å; A86-V90 HydrophobicContact CB-CG1 3.81Å; A86-I126 HydrophobicContact CB-CG2 3.68Å; A86-Q127 PolarHBondContact N-O 3.21Å; A86-Q128 CarbonylContact O-C 3.53Å; A86-Q128 WeakPolarHBondContact O-CA 3Å; A86-L129 PolarHBondContact O-N 3.32Å
87T97.9Very high94.8Very high0 Ų026.2 Ų26.20%014%0.143CC..EExtended strand (participates in β ladder)trans-75.3161.5170.950.70000111.8P89 V90 Y91 L129 F131 P148 G156 T158 W286T87-P89 VanDerWaalsContact C-N 3.35Å; T87-V90 PolarHBondContact O-N 2.73Å; T87-V90 VanDerWaalsContact O-N 3.13Å; T87-V90 WeakPolarHBondContact OG1-CG2 3.37Å; T87-Y91 PolarHBondContact O-N 2.95Å; T87-L129 VanDerWaalsContact CA-O 3.29Å; T87-L129 WeakPolarHBondContact CA-O 3.5Å; T87-F131 HydrophobicContact CG2-CD1 4.22Å; T87-F131 HydrophobicContact CG2-CE1 4.1Å; T87-P148 HydrophobicContact CG2-CB 4.11Å; T87-P148 HydrophobicContact CG2-CG 4.37Å; T87-G156 PolarHBondContact OG1-O 2.85Å; T87-T158 HydrophobicContact CG2-CG2 3.24Å; T87-W286 HydrophobicContact CG2-CH2 3.88Å; T87-W286 HydrophobicContact CG2-CZ3 3.77Å
88I97.4Very high95.2Very high37 Ų3720.7 Ų20.719%0.1912%0.119CC..Hα-helixtrans-52.7-45.8178.8-56175.9000112.3Y91 K92 Q128 L129 K130 W286I88-Y91 PolarHBondContact O-N 3.48Å; I88-K92 PolarHBondContact O-N 2.63Å; I88-Q128 HydrophobicContact CG1-CB 4.09Å; I88-L129 PolarHBondContact N-O 3.37Å; I88-K130 HydrophobicContact CD1-CG 4.19Å; I88-W286 HydrophobicContact CB-CH2 4.45Å; I88-W286 HydrophobicContact CB-CZ2 3.76Å; I88-W286 HydrophobicContact CD1-CZ2 3.82Å; I88-W286 HydrophobicContact CG1-CZ2 3.81Å
89P97.3Very high95.6Very high0 Ų022 Ų220%012%0.124CC..Hα-helixtrans-72.7-32.4179.1-1631.9000112.8T87 Y91 K92 M93 I155 W286T87-P89 VanDerWaalsContact C-N 3.35Å; P89-Y91 VanDerWaalsContact C-N 3.29Å; P89-Y91 PolarHBondContact O-N 3.24Å; P89-K92 PolarHBondContact O-N 2.91Å; P89-M93 WeakPolarHBondContact O-CA 3.48Å; P89-M93 WeakPolarHBondContact O-CB 3.34Å; P89-M93 WeakPolarHBondContact O-CG 2.91Å; P89-M93 PolarHBondContact O-N 2.76Å; P89-I155 HydrophobicContact CB-CG1 3.98Å; P89-I155 HydrophobicContact CB-CG2 4.33Å; P89-I155 HydrophobicContact CG-CG1 4.34Å; P89-W286 HydrophobicContact CG-CB 4.07Å; P89-W286 HydrophobicContact CG-CD2 3.42Å; P89-W286 VanDerWaalsContact CG-CD2 3.42Å; P89-W286 HydrophobicContact CG-CE3 3.64Å; P89-W286 HydrophobicContact CG-CG 3.59Å; P89-W286 HydrophobicContact CG-CZ2 4.44Å; P89-W286 HydrophobicContact CG-CZ3 4.23Å
90V97.8Very high96Very high1 Ų119.8 Ų19.81%0.00610%0.1CC..Hα-helixtrans-62-41.2173.6173.10000110.6L60 L68 A86 T87 G94 G156L60-V90 HydrophobicContact CB-CG1 4.13Å; L68-V90 HydrophobicContact CD2-CG1 4.14Å; A86-V90 HydrophobicContact CB-CB 4.09Å; A86-V90 HydrophobicContact CB-CG1 3.81Å; T87-V90 PolarHBondContact O-N 2.73Å; T87-V90 VanDerWaalsContact O-N 3.13Å; T87-V90 WeakPolarHBondContact OG1-CG2 3.37Å; V90-G94 WeakPolarHBondContact O-CA 3.03Å; V90-G94 PolarHBondContact O-N 2.87Å; V90-G156 WeakPolarHBondContact CG2-O 3.25Å
91Y97.5Very high96.1Very high22 Ų2219.9 Ų19.99%0.08610%0.101CC..Hα-helixtrans-61.7-54.7173.2166.5-106.9000112.4T87 I88 P89 Q95 F123 I126 Q128T87-Y91 PolarHBondContact O-N 2.95Å; I88-Y91 PolarHBondContact O-N 3.48Å; P89-Y91 VanDerWaalsContact C-N 3.29Å; P89-Y91 PolarHBondContact O-N 3.24Å; Y91-Q95 WeakPolarHBondContact O-CB 3.33Å; Y91-Q95 PolarHBondContact O-N 2.83Å; Y91-Q95 VanDerWaalsContact O-N 3.15Å; Y91-F123 HydrophobicContact CD2-CB 4.24Å; Y91-F123 AromaticContact CD2-CD1 3.74Å; Y91-F123 HydrophobicContact CD2-CD1 3.74Å; Y91-F123 HydrophobicContact CD2-CG 4.49Å; Y91-F123 HydrophobicContact CE2-CB 3.83Å; Y91-F123 HydrophobicContact CE2-CD1 4.13Å; Y91-F123 WeakPolarHBondContact CE2-O 3.46Å; Y91-F123 VanDerWaalsContact O-CD1 3.24Å; Y91-F123 WeakPolarHBondContact O-CD1 3.34Å; Y91-F123 WeakPolarHBondContact O-CE1 3.33Å; Y91-I126 HydrophobicContact CD2-CB 4.01Å; Y91-I126 HydrophobicContact CD2-CD1 4.22Å; Y91-I126 HydrophobicContact CD2-CG2 4.24Å; Y91-Q128 VanDerWaalsContact CD1-CD 3.42Å; Y91-Q128 HydrophobicContact CD1-CG 3.8Å; Y91-Q128 HydrophobicContact CD2-CG 4.43Å; Y91-Q128 HydrophobicContact CE1-CG 4.38Å; Y91-Q128 VanDerWaalsContact CE1-NE2 3.29Å; Y91-Q128 HydrophobicContact CG-CG 3.84Å
92K96.5Very high96.4Very high59 Ų5914.6 Ų14.626%0.2577%0.07SC..Hα-helixtrans-71.9-48-175.5-71.6-57.9-171.6-170.70113.6I88 P89 Q95 M96I88-K92 PolarHBondContact O-N 2.63Å; P89-K92 PolarHBondContact O-N 2.91Å; K92-Q95 PolarHBondContact O-N 3.45Å; K92-M96 WeakPolarHBondContact O-CG 3.37Å; K92-M96 PolarHBondContact O-N 3.43Å
93M96.7Very high96.4Very high0 Ų016.6 Ų16.60%08%0.078CC..Hα-helixtrans-72.3-35.1-179.9-61-56.5-172.200111P63 P89 Q95 M96 F97 I155 A240 L244 F279P63-M93 HydrophobicContact CB-CB 3.92Å; P63-M93 HydrophobicContact CG-CB 4.4Å; P89-M93 WeakPolarHBondContact O-CA 3.48Å; P89-M93 WeakPolarHBondContact O-CB 3.34Å; P89-M93 WeakPolarHBondContact O-CG 2.91Å; P89-M93 PolarHBondContact O-N 2.76Å; M93-Q95 VanDerWaalsContact C-N 3.3Å; M93-Q95 PolarHBondContact O-N 3.28Å; M93-M96 WeakPolarHBondContact O-CA 3.41Å; M93-M96 WeakPolarHBondContact O-CB 3.47Å; M93-M96 PolarHBondContact O-N 3.36Å; M93-F97 VanDerWaalsContact O-CD2 3.25Å; M93-F97 WeakPolarHBondContact O-CD2 3.32Å; M93-F97 PolarHBondContact O-N 3.43Å; M93-I155 HydrophobicContact CE-CG2 4.4Å; M93-I155 HydrophobicContact CG-CG2 3.74Å; M93-A240 HydrophobicContact CB-CB 3.97Å; M93-A240 HydrophobicContact CG-CB 4.34Å; M93-A240 HydrophobicContact SD-CB 3.86Å; M93-L244 HydrophobicContact CE-CD1 4.25Å; M93-F279 HydrophobicContact CE-CB 4Å; M93-F279 HydrophobicContact SD-CB 4.41Å
94G97Very high96.3Very high0 Ų015.4 Ų15.40%07%0.068CC..Hα-helixtrans-59.6-40.8173.400000112.8P63 V90 M96 F97 M98 F123P63-G94 VanDerWaalsContact O-CA 3.26Å; P63-G94 WeakPolarHBondContact O-CA 3.45Å; V90-G94 WeakPolarHBondContact O-CA 3.03Å; V90-G94 PolarHBondContact O-N 2.87Å; G94-M96 VanDerWaalsContact C-N 3.29Å; G94-M96 PolarHBondContact O-N 2.78Å; G94-F97 WeakPolarHBondContact O-CB 3.5Å; G94-F97 PolarHBondContact O-N 3.28Å; G94-M98 WeakPolarHBondContact O-CG 3.25Å; G94-M98 PolarHBondContact O-N 2.97Å; G94-F123 VanDerWaalsContact C-CE1 3.48Å
95Q96.8Very high96Very high19 Ų1916.1 Ų16.19%0.0897%0.07CC..Hα-helixtrans-60.8-41.3173.8-166.817923.400111Y91 K92 M93 M98 Y99 V119 D120 F123Y91-Q95 WeakPolarHBondContact O-CB 3.33Å; Y91-Q95 PolarHBondContact O-N 2.83Å; Y91-Q95 VanDerWaalsContact O-N 3.15Å; K92-Q95 PolarHBondContact O-N 3.45Å; M93-Q95 VanDerWaalsContact C-N 3.3Å; M93-Q95 PolarHBondContact O-N 3.28Å; Q95-M98 PolarHBondContact O-N 3.11Å; Q95-Y99 HydrophobicContact CG-CD2 4.2Å; Q95-Y99 HydrophobicContact CG-CE1 4.34Å; Q95-Y99 HydrophobicContact CG-CE2 3.75Å; Q95-Y99 PolarHBondContact NE2-OH 3.44Å; Q95-Y99 VanDerWaalsContact NE2-OH 3.08Å; Q95-Y99 PolarHBondContact O-N 3.2Å; Q95-V119 HydrophobicContact CG-CG1 4.3Å; Q95-D120 PolarHBondContact NE2-OD1 3.48Å; Q95-D120 VanDerWaalsContact NE2-OD1 3.08Å; Q95-F123 HydrophobicContact CB-CD1 3.86Å; Q95-F123 HydrophobicContact CB-CE1 3.99Å; Q95-F123 HydrophobicContact CB-CG 4.25Å; Q95-F123 HydrophobicContact CB-CZ 4.44Å; Q95-F123 HydrophobicContact CG-CD1 4.49Å; Q95-F123 HydrophobicContact CG-CG 4.41Å
96M96.2Very high95.7Very high5 Ų517.5 Ų17.53%0.0258%0.077CC..Hα-helixtrans-65.2-39.3176.5-62.4-57.197.200112.6K92 M93 G94 Y99 D100 A240 V272 N275 V276 F279K92-M96 WeakPolarHBondContact O-CG 3.37Å; K92-M96 PolarHBondContact O-N 3.43Å; M93-M96 WeakPolarHBondContact O-CA 3.41Å; M93-M96 WeakPolarHBondContact O-CB 3.47Å; M93-M96 PolarHBondContact O-N 3.36Å; G94-M96 VanDerWaalsContact C-N 3.29Å; G94-M96 PolarHBondContact O-N 2.78Å; M96-Y99 HydrophobicContact CE-CD2 3.48Å; M96-Y99 VanDerWaalsContact CE-CD2 3.48Å; M96-Y99 HydrophobicContact CE-CE2 3.68Å; M96-Y99 HydrophobicContact SD-CD2 4.44Å; M96-D100 WeakPolarHBondContact O-CB 3.31Å; M96-D100 PolarHBondContact O-N 3.34Å; M96-A240 HydrophobicContact CB-CB 4.36Å; M96-V272 HydrophobicContact CB-CG2 4.16Å; M96-V272 HydrophobicContact SD-CB 4.18Å; M96-V272 HydrophobicContact SD-CG2 4.24Å; M96-N275 HydrophobicContact SD-CB 3.58Å; M96-N275 VanDerWaalsContact SD-CB 3.58Å; M96-V276 HydrophobicContact CB-CG2 4.02Å; M96-V276 HydrophobicContact CG-CG2 4.16Å; M96-F279 HydrophobicContact CE-CE2 3.81Å; M96-F279 HydrophobicContact CG-CD2 4.04Å; M96-F279 HydrophobicContact CG-CE2 4.16Å; M96-F279 HydrophobicContact SD-CD2 4.16Å; M96-F279 HydrophobicContact SD-CE2 3.73Å
97F96.5Very high95.2Very high7 Ų720.1 Ų20.13%0.0319%0.091CC..Hα-helixtrans-58.8-47.3172.9-88.6-80000111.4P63 D64 P65 M93 G94 D100 L101 M154 D238 A240P63-F97 HydrophobicContact CB-CD2 4.01Å; P63-F97 HydrophobicContact CB-CE2 4.05Å; P63-F97 HydrophobicContact CG-CD2 4.5Å; P63-F97 HydrophobicContact CG-CE2 4.03Å; P63-F97 WeakPolarHBondContact O-CD2 3.46Å; P63-F97 WeakPolarHBondContact O-CG 3.18Å; D64-F97 HydrophobicContact CB-CE1 4.2Å; D64-F97 HydrophobicContact CB-CZ 4.17Å; P65-F97 HydrophobicContact CG-CD1 4.35Å; M93-F97 VanDerWaalsContact O-CD2 3.25Å; M93-F97 WeakPolarHBondContact O-CD2 3.32Å; M93-F97 PolarHBondContact O-N 3.43Å; G94-F97 WeakPolarHBondContact O-CB 3.5Å; G94-F97 PolarHBondContact O-N 3.28Å; F97-D100 PolarHBondContact O-N 2.9Å; F97-L101 WeakPolarHBondContact O-CB 3.43Å; F97-L101 PolarHBondContact O-N 3.14Å; F97-M154 HydrophobicContact CZ-SD 4.4Å; F97-D238 HydrophobicContact CE1-CB 3.87Å; F97-D238 HydrophobicContact CZ-CB 3.99Å; F97-D238 WeakPolarHBondContact CZ-OD2 3.43Å; F97-A240 HydrophobicContact CD2-CB 3.98Å; F97-A240 HydrophobicContact CE2-CB 3.74Å; F97-A240 HydrophobicContact CZ-CB 4.4Å
98M96.2Very high94.6Very high0 Ų020.8 Ų20.80%010%0.095CC..Hα-helixtrans-69.6-38.1-178.1-62.8-45.8-70.800112.8L68 G69 P72 G94 Q95 L101 Y102 F114 V119 F123L68-M98 HydrophobicContact CD1-CG 3.79Å; L68-M98 HydrophobicContact CD1-SD 3.72Å; G69-M98 VanDerWaalsContact O-CE 3.29Å; G69-M98 WeakPolarHBondContact O-CE 3.33Å; P72-M98 HydrophobicContact CG-CE 3.69Å; P72-M98 HydrophobicContact CG-CG 4.3Å; G94-M98 WeakPolarHBondContact O-CG 3.25Å; G94-M98 PolarHBondContact O-N 2.97Å; Q95-M98 PolarHBondContact O-N 3.11Å; M98-L101 HydrophobicContact CE-CD2 4.17Å; M98-L101 HydrophobicContact SD-CD2 4.26Å; M98-Y102 WeakPolarHBondContact O-CB 3.12Å; M98-Y102 PolarHBondContact O-N 2.83Å; M98-F114 HydrophobicContact CE-CE1 3.94Å; M98-F114 HydrophobicContact CE-CE2 3.91Å; M98-F114 HydrophobicContact CE-CZ 3.45Å; M98-F114 VanDerWaalsContact CE-CZ 3.45Å; M98-V119 HydrophobicContact CB-CG1 3.73Å; M98-V119 HydrophobicContact CB-CG2 3.89Å; M98-F123 HydrophobicContact CG-CE2 3.94Å; M98-F123 HydrophobicContact CG-CZ 4.17Å
99Y95.8Very high94Very high53 Ų5320.9 Ų20.921%0.20810%0.095CC..Hα-helixtrans-62.7-46.5172.3-72.7-21000112.3Q95 M96 Q103 L116 V119 D120Q95-Y99 HydrophobicContact CG-CD2 4.2Å; Q95-Y99 HydrophobicContact CG-CE1 4.34Å; Q95-Y99 HydrophobicContact CG-CE2 3.75Å; Q95-Y99 PolarHBondContact NE2-OH 3.44Å; Q95-Y99 VanDerWaalsContact NE2-OH 3.08Å; Q95-Y99 PolarHBondContact O-N 3.2Å; M96-Y99 HydrophobicContact CE-CD2 3.48Å; M96-Y99 VanDerWaalsContact CE-CD2 3.48Å; M96-Y99 HydrophobicContact CE-CE2 3.68Å; M96-Y99 HydrophobicContact SD-CD2 4.44Å; Y99-Q103 VanDerWaalsContact O-CB 3.29Å; Y99-Q103 WeakPolarHBondContact O-CB 3.47Å; Y99-Q103 PolarHBondContact O-N 3.08Å; Y99-L116 HydrophobicContact CD1-CD2 3.46Å; Y99-L116 VanDerWaalsContact CD1-CD2 3.46Å; Y99-L116 HydrophobicContact CE1-CD2 3.99Å; Y99-L116 HydrophobicContact CG-CD2 4.37Å; Y99-V119 HydrophobicContact CD1-CB 4.48Å; Y99-V119 HydrophobicContact CD1-CG1 4.08Å; Y99-V119 HydrophobicContact CE1-CB 4.28Å; Y99-V119 HydrophobicContact CE1-CG1 3.97Å; Y99-D120 PolarHBondContact OH-OD1 3.39Å; Y99-D120 PolarHBondContact OH-OD2 3.46Å
100D95.6Very high93.4Very high0 Ų026.6 Ų26.60%013%0.125CC..Hα-helixtrans-68.6-36.8179.9-16645.7000112M96 F97 S104 T239 N271 V272 S329M96-D100 WeakPolarHBondContact O-CB 3.31Å; M96-D100 PolarHBondContact O-N 3.34Å; F97-D100 PolarHBondContact O-N 2.9Å; D100-S104 WeakPolarHBondContact O-CB 3.29Å; D100-S104 PolarHBondContact O-N 3.43Å; D100-S104 PolarHBondContact O-OG 3.3Å; D100-T239 HydrophobicContact CB-CG2 3.44Å; D100-T239 VanDerWaalsContact CB-CG2 3.44Å; D100-T239 WeakPolarHBondContact OD2-CG2 3.37Å; D100-T239 PolarHBondContact OD2-OG1 3.24Å; D100-N271 VanDerWaalsContact OD1-CB 3.3Å; D100-N271 WeakPolarHBondContact OD1-CB 3.25Å; D100-N271 PolarHBondContact OD1-N 3.26Å; D100-N271 PolarHBondContact OD1-ND2 3.36Å; D100-V272 HydrophobicContact CB-CG2 3.98Å; D100-S329 WeakPolarHBondContact OD2-CB 3.38Å; D100-S329 PolarHBondContact OD2-OG 3.47Å
101L94.5Very high93Very high7 Ų727 Ų274%0.03713%0.127CC..Hα-helixtrans-64.3-48.3175.7-178.559.7000111.3F40 P65 F97 M98 R105 F114F40-L101 HydrophobicContact CE1-CD2 4.34Å; F40-L101 HydrophobicContact CZ-CD1 4.09Å; F40-L101 HydrophobicContact CZ-CD2 3.86Å; F40-L101 HydrophobicContact CZ-CG 4.07Å; P65-L101 HydrophobicContact CB-CD2 4.01Å; P65-L101 HydrophobicContact CG-CD2 3.88Å; F97-L101 WeakPolarHBondContact O-CB 3.43Å; F97-L101 PolarHBondContact O-N 3.14Å; M98-L101 HydrophobicContact CE-CD2 4.17Å; M98-L101 HydrophobicContact SD-CD2 4.26Å; L101-R105 PolarHBondContact O-N 2.92Å; L101-F114 HydrophobicContact CD2-CZ 4.45Å
102Y94.5Very high92.5Very high31 Ų3131 Ų3112%0.12215%0.154CC..Hα-helixtrans-59-52.7174.7176.5-92.1000110.8M98 S104 R105 H106 F111 F114 L116M98-Y102 WeakPolarHBondContact O-CB 3.12Å; M98-Y102 PolarHBondContact O-N 2.83Å; Y102-S104 PolarHBondContact O-N 3.42Å; Y102-R105 PolarHBondContact O-N 3Å; Y102-H106 HydrophobicContact CD1-CB 4.43Å; Y102-H106 HydrophobicContact CE1-CB 4.16Å; Y102-H106 VanDerWaalsContact O-CB 3.23Å; Y102-H106 WeakPolarHBondContact O-CB 3.5Å; Y102-H106 PolarHBondContact O-N 3.3Å; Y102-F111 AromaticContact CD2-CD1 3.6Å; Y102-F111 HydrophobicContact CD2-CD1 3.6Å; Y102-F111 AromaticContact CD2-CE1 3.96Å; Y102-F111 HydrophobicContact CD2-CE1 3.96Å; Y102-F111 AromaticContact CE2-CD1 3.92Å; Y102-F111 HydrophobicContact CE2-CD1 3.92Å; Y102-F114 HydrophobicContact CD2-CD2 4.38Å; Y102-F114 HydrophobicContact CD2-CE2 4.28Å; Y102-F114 VanDerWaalsContact CD2-O 3.23Å; Y102-F114 WeakPolarHBondContact CD2-O 3.28Å; Y102-F114 WeakPolarHBondContact CE2-O 3.42Å; Y102-L116 HydrophobicContact CD1-CD1 4.16Å; Y102-L116 HydrophobicContact CD1-CD2 3.47Å; Y102-L116 VanDerWaalsContact CD1-CD2 3.47Å; Y102-L116 HydrophobicContact CD1-CG 3.61Å; Y102-L116 HydrophobicContact CE1-CD1 4.08Å; Y102-L116 HydrophobicContact CE1-CD2 4.13Å; Y102-L116 HydrophobicContact CE1-CG 3.72Å; Y102-L116 HydrophobicContact CG-CD2 3.84Å; Y102-L116 HydrophobicContact CG-CG 4.23Å
103Q93Very high92.2Very high62 Ų6230.1 Ų30.129%0.2915%0.152SC..Hα-helixtrans-66.3-38.2-175.5-168.263.128.500112.1Y99 R105 H106 N107 N271Y99-Q103 VanDerWaalsContact O-CB 3.29Å; Y99-Q103 WeakPolarHBondContact O-CB 3.47Å; Y99-Q103 PolarHBondContact O-N 3.08Å; Q103-R105 VanDerWaalsContact C-N 3.33Å; Q103-R105 PolarHBondContact O-N 3.28Å; Q103-H106 PolarHBondContact O-N 3.34Å; Q103-N107 PolarHBondContact NE2-OD1 3.33Å; Q103-N107 WeakPolarHBondContact O-CB 3.46Å; Q103-N107 PolarHBondContact O-N 2.97Å; Q103-N107 PolarHBondContact O-ND2 3.07Å; Q103-N107 PolarHBondContact O-OD1 2.91Å; Q103-N271 HydrophobicContact CB-CB 4.06Å; Q103-N271 HydrophobicContact CG-CB 3.89Å
104S92.3Very high92Very high0 Ų030.1 Ų30.10%015%0.152CC..Hα-helixtrans-61.6-40177.2-68.70000112.4D100 Y102 T108 N271D100-S104 WeakPolarHBondContact O-CB 3.29Å; D100-S104 PolarHBondContact O-N 3.43Å; D100-S104 PolarHBondContact O-OG 3.3Å; Y102-S104 PolarHBondContact O-N 3.42Å; S104-T108 PolarHBondContact O-OG1 2.99Å; S104-N271 PolarHBondContact OG-ND2 3.02Å; S104-N271 VanDerWaalsContact OG-ND2 3.12Å
105R90.9Very high91.8Very high17 Ų1732.4 Ų32.46%0.06417%0.166CC..Hα-helixtrans-76.2-43.7174.4-69.4-168.1171.3-92.81.7111.8E38 L101 Y102 Q103 N107 T108 E109 F111 C335E38-R105 PolarHBondContact O-NH2 3.18Å; L101-R105 PolarHBondContact O-N 2.92Å; Y102-R105 PolarHBondContact O-N 3Å; Q103-R105 VanDerWaalsContact C-N 3.33Å; Q103-R105 PolarHBondContact O-N 3.28Å; R105-N107 PolarHBondContact O-N 3.41Å; R105-T108 PolarHBondContact O-N 3.39Å; R105-T108 PolarHBondContact O-OG1 2.91Å; R105-T108 VanDerWaalsContact O-OG1 3.05Å; R105-E109 HydrophobicContact CB-CG 4.19Å; R105-E109 WeakPolarHBondContact CD-OE1 3.47Å; R105-E109 IonicContact CZ-OE1 3.46Å; R105-E109 IonicContact NH1-OE1 3.88Å; R105-E109 PolarHBondContact NH1-OE1 2.78Å; R105-E109 WeakPolarHBondContact O-CG 3.32Å; R105-E109 PolarHBondContact O-N 2.81Å; R105-F111 HydrophobicContact CB-CB 3.97Å; R105-F111 HydrophobicContact CB-CD2 3.84Å; R105-F111 HydrophobicContact CB-CG 3.92Å; R105-F111 HydrophobicContact CG-CD2 4.37Å; R105-C335 HydrophobicContact CG-CB 3.99Å
106H90.8Very high91.7Very high48 Ų4834.3 Ų34.322%0.22218%0.177CC..Hα-helixtrans-57.1-35.2176.2-166.377.4000111.8Y102 Q103 T108 R384Y102-H106 HydrophobicContact CD1-CB 4.43Å; Y102-H106 HydrophobicContact CE1-CB 4.16Å; Y102-H106 VanDerWaalsContact O-CB 3.23Å; Y102-H106 WeakPolarHBondContact O-CB 3.5Å; Y102-H106 PolarHBondContact O-N 3.3Å; Q103-H106 PolarHBondContact O-N 3.34Å; H106-T108 PolarHBondContact O-N 3.3Å; H106-R384 PolarHBondContact CD2-NH1 2.68Å; H106-R384 PolarHBondContact CE1-NH1 2.72Å; H106-R384 PolarHBondContact CE1-NH2 2.79Å; H106-R384 PolarHBondContact ND1-NH2 2.78Å; H106-R384 PolarHBondContact NE2-NH1 3.23Å; H106-R384 PolarHBondContact O-NE 2.81Å; H106-R384 PolarHBondContact O-NH1 3.23Å; H106-R384 PolarHBondContact O-NH2 2.91Å
107N87.5Confident91.6Very high55 Ų5540 Ų4029%0.29421%0.207SC..THydrogen-bonded Turntrans-65.1-22.3176.2-69.8-15000113.9Q103 R105 N271 R384Q103-N107 PolarHBondContact NE2-OD1 3.33Å; Q103-N107 WeakPolarHBondContact O-CB 3.46Å; Q103-N107 PolarHBondContact O-N 2.97Å; Q103-N107 PolarHBondContact O-ND2 3.07Å; Q103-N107 PolarHBondContact O-OD1 2.91Å; R105-N107 PolarHBondContact O-N 3.41Å; N107-N271 PolarHBondContact ND2-OD1 3.44Å; N107-R384 WeakPolarHBondContact O-CB 3.3Å
108T84.9Confident91.6Very high14 Ų1440.4 Ų40.49%0.08621%0.21CC..THydrogen-bonded Turntrans-112.9-35.6-17352.90000113.3S104 R105 H106 C522S104-T108 PolarHBondContact O-OG1 2.99Å; R105-T108 PolarHBondContact O-N 3.39Å; R105-T108 PolarHBondContact O-OG1 2.91Å; R105-T108 VanDerWaalsContact O-OG1 3.05Å; H106-T108 PolarHBondContact O-N 3.3Å; T108-C522 WeakPolarHBondContact O-CB 3.49Å; T108-C522 PolarHBondContact O-SG 2.97Å; T108-C522 VanDerWaalsContact O-SG 3.38Å
109E86.4Confident91.5Very high38 Ų3840.4 Ų40.418%0.17821%0.21CC..SBendtrans-135.4172.1-174.964.1-173177.100112.7R105 F111 R382 R384 C522R105-E109 HydrophobicContact CB-CG 4.19Å; R105-E109 WeakPolarHBondContact CD-OE1 3.47Å; R105-E109 IonicContact CZ-OE1 3.46Å; R105-E109 IonicContact NH1-OE1 3.88Å; R105-E109 PolarHBondContact NH1-OE1 2.78Å; R105-E109 WeakPolarHBondContact O-CG 3.32Å; R105-E109 PolarHBondContact O-N 2.81Å; E109-F111 HydrophobicContact CG-CB 4.39Å; E109-F111 PolarHBondContact O-N 2.84Å; E109-R382 IonicContact OE2-CZ 3.33Å; E109-R382 IonicContact OE2-NH1 3.53Å; E109-R382 PolarHBondContact OE2-NH1 3.07Å; E109-R384 PolarHBondContact O-NH2 3Å; E109-C522 VanDerWaalsContact CA-SG 3.52Å
110D85.2Confident91.6Very high120 Ų12040.2 Ų40.264%0.64221%0.212SC*.  trans-88.880.7172.3-166.512.8000109.2T112D110-T112 PolarHBondContact O-N 3.25Å
111F87.4Confident91.5Very high10 Ų1042.2 Ų42.24%0.04423%0.229CC..  trans-78.4115.4-176.1-172.3-99.9000111F40 Y102 R105 E109 L113 F114F40-F111 HydrophobicContact CD2-CE2 4.44Å; F40-F111 HydrophobicContact CE1-CE2 4.42Å; F40-F111 HydrophobicContact CE1-CZ 4.11Å; F40-F111 HydrophobicContact CE2-CE2 4.27Å; F40-F111 HydrophobicContact CZ-CE2 4.21Å; F40-F111 HydrophobicContact CZ-CZ 4.17Å; Y102-F111 AromaticContact CD2-CD1 3.6Å; Y102-F111 HydrophobicContact CD2-CD1 3.6Å; Y102-F111 AromaticContact CD2-CE1 3.96Å; Y102-F111 HydrophobicContact CD2-CE1 3.96Å; Y102-F111 AromaticContact CE2-CD1 3.92Å; Y102-F111 HydrophobicContact CE2-CD1 3.92Å; R105-F111 HydrophobicContact CB-CB 3.97Å; R105-F111 HydrophobicContact CB-CD2 3.84Å; R105-F111 HydrophobicContact CB-CG 3.92Å; R105-F111 HydrophobicContact CG-CD2 4.37Å; E109-F111 HydrophobicContact CG-CB 4.39Å; E109-F111 PolarHBondContact O-N 2.84Å; F111-L113 HydrophobicContact CD2-CG 4.48Å; F111-L113 HydrophobicContact CE1-CB 4.14Å; F111-L113 HydrophobicContact CE2-CB 4.08Å; F111-L113 HydrophobicContact CE2-CD1 3.65Å; F111-L113 HydrophobicContact CE2-CG 3.85Å; F111-L113 HydrophobicContact CZ-CB 3.7Å; F111-L113 HydrophobicContact CZ-CD1 3.93Å; F111-L113 HydrophobicContact CZ-CG 4.01Å; F111-F114 AromaticContact CE1-CD1 3.73Å; F111-F114 HydrophobicContact CE1-CD1 3.73Å; F111-F114 HydrophobicContact CE1-CD2 4.32Å; F111-F114 AromaticContact CE1-CE1 3.56Å; F111-F114 HydrophobicContact CE1-CE1 3.56Å; F111-F114 HydrophobicContact CE1-CE2 4.17Å; F111-F114 HydrophobicContact CE1-CG 4.12Å; F111-F114 AromaticContact CE1-CZ 3.78Å; F111-F114 HydrophobicContact CE1-CZ 3.78Å; F111-F114 AromaticContact CZ-CD1 3.82Å; F111-F114 HydrophobicContact CZ-CD1 3.82Å; F111-F114 AromaticContact CZ-CE1 3.45Å; F111-F114 HydrophobicContact CZ-CE1 3.45Å; F111-F114 VanDerWaalsContact CZ-CE1 3.45Å; F111-F114 AromaticContact CZ-CZ 3.99Å; F111-F114 HydrophobicContact CZ-CZ 3.99Å
112T87.3Confident91.6Very high105 Ų10541.9 Ų41.964%0.64423%0.227SC*.  trans-124.15.3-172.852.90000114.1D110D110-T112 PolarHBondContact O-N 3.25Å
113L90.3Very high91.7Very high41 Ų4140.4 Ų40.422%0.21522%0.221CC..SBendtrans-65.6-50.1-176.8-60.2-175.3000111.5W36 F40 M42 Y73 F111W36-L113 HydrophobicContact CH2-CB 4.15Å; W36-L113 HydrophobicContact CH2-CD1 3.81Å; W36-L113 HydrophobicContact CH2-CG 4.45Å; W36-L113 HydrophobicContact CZ2-CD1 4.24Å; W36-L113 HydrophobicContact CZ3-CB 4.42Å; W36-L113 HydrophobicContact CZ3-CD1 4.38Å; F40-L113 HydrophobicContact CB-CD1 3.41Å; F40-L113 VanDerWaalsContact CB-CD1 3.41Å; F40-L113 HydrophobicContact CD1-CD1 3.64Å; F40-L113 HydrophobicContact CD2-CD1 4.3Å; F40-L113 HydrophobicContact CG-CD1 3.5Å; F40-L113 VanDerWaalsContact CG-CD1 3.5Å; M42-L113 HydrophobicContact CE-CD1 4.36Å; M42-L113 HydrophobicContact CE-CD2 3.54Å; Y73-L113 VanDerWaalsContact CD2-O 3.23Å; Y73-L113 WeakPolarHBondContact CD2-O 3.42Å; F111-L113 HydrophobicContact CD2-CG 4.48Å; F111-L113 HydrophobicContact CE1-CB 4.14Å; F111-L113 HydrophobicContact CE2-CB 4.08Å; F111-L113 HydrophobicContact CE2-CD1 3.65Å; F111-L113 HydrophobicContact CE2-CG 3.85Å; F111-L113 HydrophobicContact CZ-CB 3.7Å; F111-L113 HydrophobicContact CZ-CD1 3.93Å; F111-L113 HydrophobicContact CZ-CG 4.01Å
114F92.3Very high91.8Very high0 Ų043.2 Ų43.20%024%0.238CC..  trans-141.7156.5172.762.8-94000109.6W36 F40 P72 M98 L101 Y102 F111 D118 V119W36-F114 HydrophobicContact CZ3-CD1 4.28Å; F40-F114 AromaticContact CE1-CE1 3.96Å; F40-F114 HydrophobicContact CE1-CE1 3.96Å; P72-F114 HydrophobicContact CB-CB 4.14Å; P72-F114 HydrophobicContact CB-CD2 4.1Å; P72-F114 HydrophobicContact CB-CG 4.11Å; M98-F114 HydrophobicContact CE-CE1 3.94Å; M98-F114 HydrophobicContact CE-CE2 3.91Å; M98-F114 HydrophobicContact CE-CZ 3.45Å; M98-F114 VanDerWaalsContact CE-CZ 3.45Å; L101-F114 HydrophobicContact CD2-CZ 4.45Å; Y102-F114 HydrophobicContact CD2-CD2 4.38Å; Y102-F114 HydrophobicContact CD2-CE2 4.28Å; Y102-F114 VanDerWaalsContact CD2-O 3.23Å; Y102-F114 WeakPolarHBondContact CD2-O 3.28Å; Y102-F114 WeakPolarHBondContact CE2-O 3.42Å; F111-F114 AromaticContact CE1-CD1 3.73Å; F111-F114 HydrophobicContact CE1-CD1 3.73Å; F111-F114 HydrophobicContact CE1-CD2 4.32Å; F111-F114 AromaticContact CE1-CE1 3.56Å; F111-F114 HydrophobicContact CE1-CE1 3.56Å; F111-F114 HydrophobicContact CE1-CE2 4.17Å; F111-F114 HydrophobicContact CE1-CG 4.12Å; F111-F114 AromaticContact CE1-CZ 3.78Å; F111-F114 HydrophobicContact CE1-CZ 3.78Å; F111-F114 AromaticContact CZ-CD1 3.82Å; F111-F114 HydrophobicContact CZ-CD1 3.82Å; F111-F114 AromaticContact CZ-CE1 3.45Å; F111-F114 HydrophobicContact CZ-CE1 3.45Å; F111-F114 VanDerWaalsContact CZ-CE1 3.45Å; F111-F114 AromaticContact CZ-CZ 3.99Å; F111-F114 HydrophobicContact CZ-CZ 3.99Å; F114-D118 HydrophobicContact CB-CB 4.22Å; F114-V119 HydrophobicContact CD2-CG2 3.8Å; F114-V119 HydrophobicContact CE2-CG2 3.84Å
115T93.9Very high91.9Very high49 Ų4947.5 Ų47.530%0.30126%0.257SS..  trans-106.8168.9178.661.10000111.2D117 D118 V119T115-D117 PolarHBondContact O-N 3.21Å; T115-D118 PolarHBondContact N-OD2 3.22Å; T115-D118 WeakPolarHBondContact O-CB 3.31Å; T115-D118 PolarHBondContact O-N 3.48Å; T115-D118 VanDerWaalsContact O-N 3.16Å; T115-D118 VanDerWaalsContact OG1-CG 3.24Å; T115-D118 PolarHBondContact OG1-N 3.3Å; T115-D118 PolarHBondContact OG1-OD2 2.92Å; T115-V119 PolarHBondContact O-N 2.89Å; T115-V119 VanDerWaalsContact O-N 3.15Å
116L94.2Very high92.2Very high59 Ų5947.2 Ų47.231%0.30926%0.256SS..Hα-helixtrans-61.3-34.5173.1-63.3176.1000111.8Y99 Y102 D118 V119 D120Y99-L116 HydrophobicContact CD1-CD2 3.46Å; Y99-L116 VanDerWaalsContact CD1-CD2 3.46Å; Y99-L116 HydrophobicContact CE1-CD2 3.99Å; Y99-L116 HydrophobicContact CG-CD2 4.37Å; Y102-L116 HydrophobicContact CD1-CD1 4.16Å; Y102-L116 HydrophobicContact CD1-CD2 3.47Å; Y102-L116 VanDerWaalsContact CD1-CD2 3.47Å; Y102-L116 HydrophobicContact CD1-CG 3.61Å; Y102-L116 HydrophobicContact CE1-CD1 4.08Å; Y102-L116 HydrophobicContact CE1-CD2 4.13Å; Y102-L116 HydrophobicContact CE1-CG 3.72Å; Y102-L116 HydrophobicContact CG-CD2 3.84Å; Y102-L116 HydrophobicContact CG-CG 4.23Å; L116-D118 VanDerWaalsContact C-N 3.32Å; L116-D118 PolarHBondContact O-N 2.8Å; L116-V119 WeakPolarHBondContact O-CA 3.39Å; L116-V119 VanDerWaalsContact O-CB 3.31Å; L116-V119 WeakPolarHBondContact O-CB 3.28Å; L116-V119 PolarHBondContact O-N 3.07Å; L116-V119 VanDerWaalsContact O-N 3.1Å; L116-D120 PolarHBondContact O-N 3.09Å
117D94.8Very high92.5Very high123 Ų12349.4 Ų49.466%0.65827%0.267SS*.Hα-helixtrans-64.3-37.3174.8-58.9-24.5000111.8T115 V119 D120 A121T115-D117 PolarHBondContact O-N 3.21Å; D117-V119 VanDerWaalsContact C-N 3.29Å; D117-V119 PolarHBondContact O-N 3.38Å; D117-D120 PolarHBondContact O-N 3.21Å; D117-A121 VanDerWaalsContact O-CB 3.28Å; D117-A121 WeakPolarHBondContact O-CB 3.45Å; D117-A121 PolarHBondContact O-N 2.9Å
118D94.9Very high93Very high17 Ų1751 Ų519%0.09127%0.273CS..Hα-helixtrans-66-33.9174.3-63-55.5000111.1P72 K77 F114 T115 L116 A122P72-D118 HydrophobicContact CB-CB 4.34Å; K77-D118 IonicContact NZ-OD1 2.95Å; K77-D118 IonicContact NZ-OD2 3.48Å; F114-D118 HydrophobicContact CB-CB 4.22Å; T115-D118 PolarHBondContact N-OD2 3.22Å; T115-D118 WeakPolarHBondContact O-CB 3.31Å; T115-D118 PolarHBondContact O-N 3.48Å; T115-D118 VanDerWaalsContact O-N 3.16Å; T115-D118 VanDerWaalsContact OG1-CG 3.24Å; T115-D118 PolarHBondContact OG1-N 3.3Å; T115-D118 PolarHBondContact OG1-OD2 2.92Å; L116-D118 VanDerWaalsContact C-N 3.32Å; L116-D118 PolarHBondContact O-N 2.8Å; D118-A122 WeakPolarHBondContact O-CB 3.35Å; D118-A122 PolarHBondContact O-N 3.15Å; D118-A122 VanDerWaalsContact O-N 3.12Å
119V96.1Very high93.6Very high0 Ų050.7 Ų50.70%027%0.27CS..Hα-helixtrans-64.2-51.7173.2178.30000109.5P72 Q95 M98 Y99 F114 T115 L116 D117 A121 A122 F123P72-V119 HydrophobicContact CB-CG2 4.09Å; P72-V119 HydrophobicContact CG-CG2 3.97Å; Q95-V119 HydrophobicContact CG-CG1 4.3Å; M98-V119 HydrophobicContact CB-CG1 3.73Å; M98-V119 HydrophobicContact CB-CG2 3.89Å; Y99-V119 HydrophobicContact CD1-CB 4.48Å; Y99-V119 HydrophobicContact CD1-CG1 4.08Å; Y99-V119 HydrophobicContact CE1-CB 4.28Å; Y99-V119 HydrophobicContact CE1-CG1 3.97Å; F114-V119 HydrophobicContact CD2-CG2 3.8Å; F114-V119 HydrophobicContact CE2-CG2 3.84Å; T115-V119 PolarHBondContact O-N 2.89Å; T115-V119 VanDerWaalsContact O-N 3.15Å; L116-V119 WeakPolarHBondContact O-CA 3.39Å; L116-V119 VanDerWaalsContact O-CB 3.31Å; L116-V119 WeakPolarHBondContact O-CB 3.28Å; L116-V119 PolarHBondContact O-N 3.07Å; L116-V119 VanDerWaalsContact O-N 3.1Å; D117-V119 VanDerWaalsContact C-N 3.29Å; D117-V119 PolarHBondContact O-N 3.38Å; V119-A121 PolarHBondContact O-N 2.91Å; V119-A122 PolarHBondContact O-N 3.1Å; V119-A122 VanDerWaalsContact O-N 3.16Å; V119-F123 HydrophobicContact CG1-CD2 3.8Å; V119-F123 HydrophobicContact CG1-CE2 3.99Å; V119-F123 VanDerWaalsContact O-CD2 3.26Å; V119-F123 WeakPolarHBondContact O-CD2 3.3Å; V119-F123 PolarHBondContact O-N 3.47Å
120D96Very high94.1Very high48 Ų4854.7 Ų54.726%0.25729%0.287SS..Hα-helixtrans-61.6-45-178.8-68-20.5000111.8Q95 Y99 L116 D117 A122 F123 D124Q95-D120 PolarHBondContact NE2-OD1 3.48Å; Q95-D120 VanDerWaalsContact NE2-OD1 3.08Å; Y99-D120 PolarHBondContact OH-OD1 3.39Å; Y99-D120 PolarHBondContact OH-OD2 3.46Å; L116-D120 PolarHBondContact O-N 3.09Å; D117-D120 PolarHBondContact O-N 3.21Å; D120-A122 VanDerWaalsContact C-N 3.26Å; D120-A122 PolarHBondContact O-N 3.35Å; D120-F123 PolarHBondContact O-N 2.9Å; D120-D124 WeakPolarHBondContact O-CB 3.49Å; D120-D124 VanDerWaalsContact O-CG 3.25Å; D120-D124 PolarHBondContact O-N 3.37Å
121A95.3Very high94.6Very high43 Ų4351.8 Ų51.836%0.35527%0.269SS..Hα-helixtrans-60.3-33.1176.800000113.5D117 V119D117-A121 VanDerWaalsContact O-CB 3.28Å; D117-A121 WeakPolarHBondContact O-CB 3.45Å; D117-A121 PolarHBondContact O-N 2.9Å; V119-A121 PolarHBondContact O-N 2.91Å
122A95.6Very high94.9Very high0 Ų054.7 Ų54.70%029%0.29CS..Hα-helixtrans-74.2-46.6175.800000112.1L71 V75 D118 V119 D120 K125L71-A122 HydrophobicContact CD2-CB 4.38Å; L71-A122 HydrophobicContact CG-CB 4.16Å; V75-A122 HydrophobicContact CB-CB 3.92Å; V75-A122 HydrophobicContact CG1-CB 4.32Å; V75-A122 HydrophobicContact CG2-CB 3.96Å; D118-A122 WeakPolarHBondContact O-CB 3.35Å; D118-A122 PolarHBondContact O-N 3.15Å; D118-A122 VanDerWaalsContact O-N 3.12Å; V119-A122 PolarHBondContact O-N 3.1Å; V119-A122 VanDerWaalsContact O-N 3.16Å; D120-A122 VanDerWaalsContact C-N 3.26Å; D120-A122 PolarHBondContact O-N 3.35Å; A122-K125 PolarHBondContact O-N 2.96Å
123F96.4Very high95.3Very high0 Ų053.4 Ų53.40%028%0.277CS..Hα-helixtrans-71.3-31.8-176.5-83.5-99.4000112L68 Y91 G94 Q95 M98 V119 D120 K125 I126L68-F123 HydrophobicContact CD1-CZ 4.04Å; L68-F123 HydrophobicContact CD2-CZ 4.23Å; Y91-F123 HydrophobicContact CD2-CB 4.24Å; Y91-F123 AromaticContact CD2-CD1 3.74Å; Y91-F123 HydrophobicContact CD2-CD1 3.74Å; Y91-F123 HydrophobicContact CD2-CG 4.49Å; Y91-F123 HydrophobicContact CE2-CB 3.83Å; Y91-F123 HydrophobicContact CE2-CD1 4.13Å; Y91-F123 WeakPolarHBondContact CE2-O 3.46Å; Y91-F123 VanDerWaalsContact O-CD1 3.24Å; Y91-F123 WeakPolarHBondContact O-CD1 3.34Å; Y91-F123 WeakPolarHBondContact O-CE1 3.33Å; G94-F123 VanDerWaalsContact C-CE1 3.48Å; Q95-F123 HydrophobicContact CB-CD1 3.86Å; Q95-F123 HydrophobicContact CB-CE1 3.99Å; Q95-F123 HydrophobicContact CB-CG 4.25Å; Q95-F123 HydrophobicContact CB-CZ 4.44Å; Q95-F123 HydrophobicContact CG-CD1 4.49Å; Q95-F123 HydrophobicContact CG-CG 4.41Å; M98-F123 HydrophobicContact CG-CE2 3.94Å; M98-F123 HydrophobicContact CG-CZ 4.17Å; V119-F123 HydrophobicContact CG1-CD2 3.8Å; V119-F123 HydrophobicContact CG1-CE2 3.99Å; V119-F123 VanDerWaalsContact O-CD2 3.26Å; V119-F123 WeakPolarHBondContact O-CD2 3.3Å; V119-F123 PolarHBondContact O-N 3.47Å; D120-F123 PolarHBondContact O-N 2.9Å; F123-K125 PolarHBondContact O-N 3.21Å; F123-I126 HydrophobicContact CB-CD1 4.38Å; F123-I126 HydrophobicContact CD1-CD1 3.68Å; F123-I126 HydrophobicContact CE1-CD1 4.03Å; F123-I126 HydrophobicContact CG-CD1 4.02Å; F123-I126 VanDerWaalsContact O-CB 3.27Å; F123-I126 WeakPolarHBondContact O-CB 3.36Å; F123-I126 WeakPolarHBondContact O-CG1 3.05Å; F123-I126 PolarHBondContact O-N 3.16Å
124D95.1Very high95.6Very high121 Ų12156.9 Ų56.965%0.64730%0.295SS*.THydrogen-bonded Turntrans-63.7-24.8176.2-77.1-13.7000113.8D120 I126D120-D124 WeakPolarHBondContact O-CB 3.49Å; D120-D124 VanDerWaalsContact O-CG 3.25Å; D120-D124 PolarHBondContact O-N 3.37Å; D124-I126 VanDerWaalsContact C-N 3.28Å; D124-I126 PolarHBondContact O-N 3.45Å
125K94.8Very high95.7Very high89 Ų8958 Ų5839%0.38730%0.301SS..THydrogen-bonded Turntrans-80.2-7.5175.2-65.2-176.5-171.3-176.50113.4V75 L80 I84 A122 F123V75-K125 HydrophobicContact CG1-CD 4Å; L80-K125 PolarHBondContact O-NZ 3.5Å; I84-K125 HydrophobicContact CD1-CB 4.07Å; A122-K125 PolarHBondContact O-N 2.96Å; F123-K125 PolarHBondContact O-N 3.21Å
126I97.3Very high95.8Very high11 Ų1161.2 Ų61.26%0.05632%0.317CS..EExtended strand (participates in β ladder)trans-78.4123.9-175.6-59.3-177.7000111L60 L71 I84 A86 Y91 F123 D124 Q128L60-I126 HydrophobicContact CD1-CD1 4.05Å; L71-I126 HydrophobicContact CD2-CD1 4.07Å; I84-I126 HydrophobicContact CB-CG1 4.02Å; I84-I126 HydrophobicContact CD1-CG1 4.33Å; I84-I126 HydrophobicContact CG2-CD1 4.3Å; I84-I126 HydrophobicContact CG2-CG1 3.76Å; I84-I126 HydrophobicContact CG2-CG2 4.5Å; I84-I126 CarbonylContact O-C 3.47Å; I84-I126 WeakPolarHBondContact O-CA 3.23Å; A86-I126 HydrophobicContact CB-CG2 3.68Å; Y91-I126 HydrophobicContact CD2-CB 4.01Å; Y91-I126 HydrophobicContact CD2-CD1 4.22Å; Y91-I126 HydrophobicContact CD2-CG2 4.24Å; F123-I126 HydrophobicContact CB-CD1 4.38Å; F123-I126 HydrophobicContact CD1-CD1 3.68Å; F123-I126 HydrophobicContact CE1-CD1 4.03Å; F123-I126 HydrophobicContact CG-CD1 4.02Å; F123-I126 VanDerWaalsContact O-CB 3.27Å; F123-I126 WeakPolarHBondContact O-CB 3.36Å; F123-I126 WeakPolarHBondContact O-CG1 3.05Å; F123-I126 PolarHBondContact O-N 3.16Å; D124-I126 VanDerWaalsContact C-N 3.28Å; D124-I126 PolarHBondContact O-N 3.45Å; I126-Q128 PolarHBondContact O-N 3.3Å
127Q97.2Very high95.7Very high94 Ų9458.9 Ų58.944%0.43930%0.304SS..EExtended strand (participates in β ladder)trans-83.7109.9168.9-62.1-173.215.700109.6I84 Y85 A86I84-Q127 PolarHBondContact O-N 2.86Å; Y85-Q127 HydrophobicContact CD1-CB 3.92Å; Y85-Q127 HydrophobicContact CE1-CB 4.07Å; Y85-Q127 HydrophobicContact CE1-CG 4.46Å; A86-Q127 PolarHBondContact N-O 3.21Å
128Q97.6Very high95.3Very high90 Ų9062 Ų6242%0.42131%0.312SS..EExtended strand (participates in β ladder)trans-77.3123.7-177.2-62.1166.149.600111.3A86 I88 Y91 I126A86-Q128 CarbonylContact O-C 3.53Å; A86-Q128 WeakPolarHBondContact O-CA 3Å; I88-Q128 HydrophobicContact CG1-CB 4.09Å; Y91-Q128 VanDerWaalsContact CD1-CD 3.42Å; Y91-Q128 HydrophobicContact CD1-CG 3.8Å; Y91-Q128 HydrophobicContact CD2-CG 4.43Å; Y91-Q128 HydrophobicContact CE1-CG 4.38Å; Y91-Q128 VanDerWaalsContact CE1-NE2 3.29Å; Y91-Q128 HydrophobicContact CG-CG 3.84Å; I126-Q128 PolarHBondContact O-N 3.3Å
129L97.7Very high95Very high6 Ų664.2 Ų64.23%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-112.1160.4-179-55.6-170.6000112.4Y85 A86 T87 I88 V135 I146 P148 W160 W286Y85-L129 HydrophobicContact CD1-CD1 4.04Å; Y85-L129 HydrophobicContact CD1-CD2 4.32Å; Y85-L129 HydrophobicContact CD1-CG 4.37Å; A86-L129 PolarHBondContact O-N 3.32Å; T87-L129 VanDerWaalsContact CA-O 3.29Å; T87-L129 WeakPolarHBondContact CA-O 3.5Å; I88-L129 PolarHBondContact N-O 3.37Å; L129-V135 HydrophobicContact CD1-CG2 3.88Å; L129-V135 HydrophobicContact CD2-CG2 3.6Å; L129-V135 HydrophobicContact CG-CG2 4.4Å; L129-I146 HydrophobicContact CD1-CD1 4.38Å; L129-P148 HydrophobicContact CB-CG 4.08Å; L129-P148 HydrophobicContact CD1-CG 4.21Å; L129-W160 HydrophobicContact CD1-CH2 3.77Å; L129-W160 HydrophobicContact CD1-CZ3 3.89Å; L129-W286 WeakPolarHBondContact O-CH2 3.37Å
130K97.2Very high94.3Very high123 Ų12371.2 Ų71.254%0.53537%0.37SS..  trans-103153.9167.9-66.9-174.5179.3-176.20111.1I88 S132 Q133 P148 W286I88-K130 HydrophobicContact CD1-CG 4.19Å; K130-S132 PolarHBondContact O-N 3.24Å; K130-Q133 HydrophobicContact CB-CB 4.43Å; K130-Q133 WeakPolarHBondContact O-CB 3.03Å; K130-Q133 PolarHBondContact O-N 2.91Å; K130-Q133 VanDerWaalsContact O-N 3.15Å; K130-P148 VanDerWaalsContact O-CG 3.29Å; K130-P148 WeakPolarHBondContact O-CG 3.23Å; K130-W286 HydrophobicContact CB-CH2 4.47Å; K130-W286 HydrophobicContact CG-CZ2 4.15Å
131F95.8Very high93.6Very high59 Ų5969 Ų6926%0.25936%0.357SS..THydrogen-bonded Turntrans-55.4141.6172.4-69.8-49.1000111.4T87 Q133 P148 P150 T158 W286T87-F131 HydrophobicContact CG2-CD1 4.22Å; T87-F131 HydrophobicContact CG2-CE1 4.1Å; F131-Q133 PolarHBondContact O-N 3.48Å; F131-Q133 VanDerWaalsContact O-N 3.11Å; F131-P148 WeakPolarHBondContact CA-O 3.4Å; F131-P150 HydrophobicContact CD1-CB 4.32Å; F131-P150 HydrophobicContact CD2-CB 4.36Å; F131-P150 VanDerWaalsContact CE1-CA 3.49Å; F131-P150 HydrophobicContact CE1-CB 4Å; F131-P150 HydrophobicContact CE2-CB 4.02Å; F131-P150 HydrophobicContact CZ-CB 3.85Å; F131-T158 HydrophobicContact CD1-CG2 4.3Å; F131-T158 HydrophobicContact CE1-CG2 3.75Å; F131-W286 HydrophobicContact CD1-CZ3 4.08Å; F131-W286 AromaticContact CD2-CE3 3.51Å; F131-W286 HydrophobicContact CD2-CE3 3.51Å; F131-W286 HydrophobicContact CD2-CH2 4.5Å; F131-W286 AromaticContact CD2-CZ3 3.43Å; F131-W286 HydrophobicContact CD2-CZ3 3.43Å; F131-W286 VanDerWaalsContact CD2-CZ3 3.43Å; F131-W286 HydrophobicContact CE1-CZ3 4.05Å; F131-W286 HydrophobicContact CE2-CD2 4.43Å; F131-W286 AromaticContact CE2-CE3 3.22Å; F131-W286 HydrophobicContact CE2-CE3 3.22Å; F131-W286 AromaticContact CE2-CZ3 3.44Å; F131-W286 HydrophobicContact CE2-CZ3 3.44Å; F131-W286 VanDerWaalsContact CE2-CZ3 3.44Å; F131-W286 HydrophobicContact CG-CE3 4.32Å; F131-W286 AromaticContact CG-CZ3 3.78Å; F131-W286 HydrophobicContact CG-CZ3 3.78Å; F131-W286 AromaticContact CZ-CE3 3.81Å; F131-W286 HydrophobicContact CZ-CE3 3.81Å; F131-W286 AromaticContact CZ-CZ3 3.74Å; F131-W286 HydrophobicContact CZ-CZ3 3.74Å
132S94Very high93.2Very high70 Ų7074 Ų7449%0.4937%0.374SS..THydrogen-bonded Turntrans60.812.6-178-53.80000115K130 I134 P148K130-S132 PolarHBondContact O-N 3.24Å; S132-I134 PolarHBondContact O-N 3.34Å; S132-P148 PolarHBondContact N-O 2.82Å
133Q95.5Very high92.7Very high79 Ų7974.5 Ų74.537%0.36938%0.379SS..  trans-76.7120.4171.6-177.5-178.8-15.800109.8K130 F131 V135 P148K130-Q133 HydrophobicContact CB-CB 4.43Å; K130-Q133 WeakPolarHBondContact O-CB 3.03Å; K130-Q133 PolarHBondContact O-N 2.91Å; K130-Q133 VanDerWaalsContact O-N 3.15Å; F131-Q133 PolarHBondContact O-N 3.48Å; F131-Q133 VanDerWaalsContact O-N 3.11Å; Q133-V135 HydrophobicContact CG-CG2 4.27Å; Q133-P148 VanDerWaalsContact O-CD 3.31Å; Q133-P148 WeakPolarHBondContact O-CD 3.42Å
134I95.3Very high92.5Very high114 Ų11474.7 Ų74.759%0.58538%0.379SS*.  trans-84.1123175.1-54.7174.2000108.6S132S132-I134 PolarHBondContact O-N 3.34Å
135V96.2Very high92.5Very high23 Ų2369.6 Ų69.614%0.13935%0.353CS..EExtended strand (participates in β ladder)trans-115.2115.8175.1-179.60000108.9Y85 L129 Q133 S145 I146Y85-V135 HydrophobicContact CE1-CG1 3.99Å; L129-V135 HydrophobicContact CD1-CG2 3.88Å; L129-V135 HydrophobicContact CD2-CG2 3.6Å; L129-V135 HydrophobicContact CG-CG2 4.4Å; Q133-V135 HydrophobicContact CG-CG2 4.27Å; V135-S145 CarbonylContact O-C 3.26Å; V135-S145 VanDerWaalsContact O-CA 3.28Å; V135-S145 WeakPolarHBondContact O-CA 3.34Å; V135-I146 HydrophobicContact CB-CD1 4.28Å; V135-I146 HydrophobicContact CB-CG1 3.73Å; V135-I146 HydrophobicContact CG1-CG1 4.35Å; V135-I146 PolarHBondContact N-O 3.25Å; V135-I146 PolarHBondContact O-N 2.95Å
136N94.4Very high92.6Very high117 Ų11765.3 Ų65.363%0.62634%0.335SS*.EExtended strand (participates in β ladder)trans-86.1123.8175.5-62.1-23.8000109.4S145N136-S145 WeakPolarHBondContact OD1-CB 3.5Å
137L92.4Very high92.5Very high9 Ų965.1 Ų65.15%0.04733%0.334CS..  trans-74.7153.3-179.9-60.7-179.3000111.1F28 F30 Y85 L144 I146F28-L137 HydrophobicContact CD1-CD1 4.48Å; F28-L137 HydrophobicContact CE1-CD1 3.82Å; F28-L137 HydrophobicContact CE2-CD1 4.4Å; F28-L137 HydrophobicContact CZ-CD1 3.76Å; F30-L137 HydrophobicContact CE1-CD1 3.56Å; F30-L137 HydrophobicContact CZ-CD1 3.42Å; F30-L137 VanDerWaalsContact CZ-CD1 3.42Å; Y85-L137 HydrophobicContact CE2-CD2 3.89Å; Y85-L137 WeakPolarHBondContact OH-CD2 3.47Å; L137-L144 HydrophobicContact CB-CB 4.37Å; L137-L144 HydrophobicContact CD1-CB 3.93Å; L137-L144 HydrophobicContact CD1-CD1 4.48Å; L137-L144 HydrophobicContact CG-CB 4.41Å; L137-L144 PolarHBondContact N-O 2.86Å; L137-I146 HydrophobicContact CD1-CG2 4.34Å; L137-I146 HydrophobicContact CD2-CD1 4.33Å
138K87.6Confident92.5Very high189 Ų18960.7 Ų60.782%0.82231%0.313SS*.  trans-115.1164.1-178-61.7-177.1-177.7177.40110.4
139G87.1Confident92.4Very high64 Ų6456.9 Ų56.966%0.6630%0.296SS*.G310 helixtrans71.7-131.4178.700000112G141 H142G139-G141 PolarHBondContact O-N 2.67Å; G139-G141 VanDerWaalsContact O-N 3.14Å; G139-H142 WeakPolarHBondContact O-CB 3.38Å; G139-H142 PolarHBondContact O-N 2.81Å; G139-H142 VanDerWaalsContact O-N 3.09Å
140K81.9Confident92.3Very high147 Ų14758 Ų5864%0.63930%0.304SS*.G310 helixtrans-57.8-26.7179.5-61.6-178.9-173.2169.70113.1F28 D56 H142F28-K140 HydrophobicContact CD2-CB 4.24Å; D56-K140 IonicContact OD1-NZ 3.35Å; K140-H142 PolarHBondContact O-N 3.12Å
141G81.6Confident92.2Very high0 Ų052.2 Ų52.20%028%0.278CS..G310 helixtrans-84.619.7177.800000114.4F28 G139 G143 L144F28-G141 VanDerWaalsContact CD2-N 3.34Å; G139-G141 PolarHBondContact O-N 2.67Å; G139-G141 VanDerWaalsContact O-N 3.14Å; G141-G143 PolarHBondContact O-N 3.41Å; G141-L144 WeakPolarHBondContact O-CB 3.32Å; G141-L144 PolarHBondContact O-N 2.96Å
142H86.5Confident92.1Very high150 Ų15049.7 Ų49.769%0.69427%0.269SS*.THydrogen-bonded Turntrans-59.4134.3-179.2-167.363.5000111.5G139 K140 L144 K164G139-H142 WeakPolarHBondContact O-CB 3.38Å; G139-H142 PolarHBondContact O-N 2.81Å; G139-H142 VanDerWaalsContact O-N 3.09Å; K140-H142 PolarHBondContact O-N 3.12Å; H142-L144 VanDerWaalsContact C-N 3.29Å; H142-K164 PolarHBondContact O-NZ 2.86Å; H142-K164 VanDerWaalsContact O-NZ 3.12Å
143G85.1Confident92.2Very high10 Ų1046.3 Ų46.310%0.10325%0.246CC..THydrogen-bonded Turntrans76.97.3-173.600000115.1G141 K164 D165G141-G143 PolarHBondContact O-N 3.41Å; G143-K164 CarbonylContact O-C 3.5Å; G143-K164 WeakPolarHBondContact O-CA 3.34Å; G143-D165 WeakPolarHBondContact CA-OD2 3.32Å; G143-D165 PolarHBondContact O-N 2.96Å
144L92.8Very high92.2Very high3 Ų342.8 Ų42.82%0.01623%0.229CC..EExtended strand (participates in β ladder)trans-96.5137.2166.2-69.6168.2000110.4V25 F28 F30 L137 G141 H142 I162 K164V25-L144 HydrophobicContact CB-CD2 4.35Å; V25-L144 HydrophobicContact CG1-CD2 3.81Å; F28-L144 HydrophobicContact CB-CD1 3.74Å; F28-L144 HydrophobicContact CD1-CD1 3.9Å; F28-L144 HydrophobicContact CG-CD1 3.81Å; F30-L144 HydrophobicContact CE2-CD1 3.96Å; F30-L144 HydrophobicContact CZ-CD1 4.09Å; L137-L144 HydrophobicContact CB-CB 4.37Å; L137-L144 HydrophobicContact CD1-CB 3.93Å; L137-L144 HydrophobicContact CD1-CD1 4.48Å; L137-L144 HydrophobicContact CG-CB 4.41Å; L137-L144 PolarHBondContact N-O 2.86Å; G141-L144 WeakPolarHBondContact O-CB 3.32Å; G141-L144 PolarHBondContact O-N 2.96Å; H142-L144 VanDerWaalsContact C-N 3.29Å; L144-I162 HydrophobicContact CD2-CG2 4.41Å; L144-K164 HydrophobicContact CD2-CB 3.93Å; L144-K164 HydrophobicContact CD2-CD 3.49Å; L144-K164 VanDerWaalsContact CD2-CD 3.49Å; L144-K164 HydrophobicContact CD2-CG 4.31Å; L144-K164 HydrophobicContact CG-CD 3.86Å
145S94.6Very high92.1Very high14 Ų1437.3 Ų37.310%0.09820%0.201CC..EExtended strand (participates in β ladder)trans-128139.6172.264.10000110.6V135 N136 I162 V163V135-S145 CarbonylContact O-C 3.26Å; V135-S145 VanDerWaalsContact O-CA 3.28Å; V135-S145 WeakPolarHBondContact O-CA 3.34Å; N136-S145 WeakPolarHBondContact OD1-CB 3.5Å; S145-I162 WeakPolarHBondContact O-CA 3.38Å; S145-V163 PolarHBondContact N-O 2.9Å; S145-V163 PolarHBondContact O-N 2.71Å; S145-V163 PolarHBondContact OG-O 2.99Å
146I96.4Very high92Very high0 Ų036.3 Ų36.30%020%0.195CC..EExtended strand (participates in β ladder)trans-113.8142.6176.563.7177000109.4F30 L59 Y85 L129 V135 L137 W160 K161 I162F30-I146 HydrophobicContact CE1-CG2 3.9Å; F30-I146 HydrophobicContact CZ-CG2 4.11Å; L59-I146 HydrophobicContact CD1-CG2 4.44Å; L59-I146 HydrophobicContact CD2-CD1 3.81Å; L59-I146 HydrophobicContact CD2-CG2 4.47Å; Y85-I146 HydrophobicContact CD1-CD1 3.74Å; Y85-I146 HydrophobicContact CD2-CD1 3.67Å; Y85-I146 HydrophobicContact CE1-CD1 4.09Å; Y85-I146 HydrophobicContact CE2-CD1 4.04Å; Y85-I146 HydrophobicContact CG-CD1 3.51Å; L129-I146 HydrophobicContact CD1-CD1 4.38Å; V135-I146 HydrophobicContact CB-CD1 4.28Å; V135-I146 HydrophobicContact CB-CG1 3.73Å; V135-I146 HydrophobicContact CG1-CG1 4.35Å; V135-I146 PolarHBondContact N-O 3.25Å; V135-I146 PolarHBondContact O-N 2.95Å; L137-I146 HydrophobicContact CD1-CG2 4.34Å; L137-I146 HydrophobicContact CD2-CD1 4.33Å; I146-W160 HydrophobicContact CB-CE3 4.32Å; I146-W160 HydrophobicContact CB-CZ3 4.31Å; I146-W160 HydrophobicContact CD1-CZ3 3.99Å; I146-W160 HydrophobicContact CG1-CZ3 4.31Å; I146-K161 CarbonylContact C-O 3.5Å; I146-K161 WeakPolarHBondContact CA-O 3.48Å; I146-I162 HydrophobicContact CG2-CG1 4.36Å
147T96.1Very high92.1Very high7 Ų730.8 Ų30.84%0.04317%0.166CC..EExtended strand (participates in β ladder)trans-140.9117.4177.3-54.70000109.7L149 K161T147-L149 HydrophobicContact CG2-CD2 4.32Å; T147-K161 PolarHBondContact N-O 2.75Å; T147-K161 PolarHBondContact O-N 3.45Å
148P96.8Very high92.3Very high0 Ų030.4 Ų30.40%016%0.164CC..EExtended strand (participates in β ladder)trans-80.8129.5174.731.3-31.8000110.6T87 L129 K130 F131 S132 Q133 T158 W160T87-P148 HydrophobicContact CG2-CB 4.11Å; T87-P148 HydrophobicContact CG2-CG 4.37Å; L129-P148 HydrophobicContact CB-CG 4.08Å; L129-P148 HydrophobicContact CD1-CG 4.21Å; K130-P148 VanDerWaalsContact O-CG 3.29Å; K130-P148 WeakPolarHBondContact O-CG 3.23Å; F131-P148 WeakPolarHBondContact CA-O 3.4Å; S132-P148 PolarHBondContact N-O 2.82Å; Q133-P148 VanDerWaalsContact O-CD 3.31Å; Q133-P148 WeakPolarHBondContact O-CD 3.42Å; P148-T158 HydrophobicContact CB-CG2 3.61Å; P148-W160 HydrophobicContact CB-CE3 4.22Å; P148-W160 HydrophobicContact CB-CH2 4.14Å; P148-W160 HydrophobicContact CB-CZ3 3.95Å; P148-W160 HydrophobicContact CG-CZ3 4.29Å
149L95.6Very high92.7Very high10 Ų1021.4 Ų21.45%0.05213%0.125CC..EExtended strand (participates in β ladder)trans-113.1151.7174.8-61.5178.4000110.1T147 A151 T158 I159 K161 L192T147-L149 HydrophobicContact CG2-CD2 4.32Å; L149-A151 PolarHBondContact O-N 2.98Å; L149-T158 CarbonylContact O-C 3.59Å; L149-T158 VanDerWaalsContact O-CA 3.23Å; L149-T158 WeakPolarHBondContact O-CA 3.35Å; L149-I159 HydrophobicContact CB-CB 4.28Å; L149-I159 PolarHBondContact N-O 2.88Å; L149-I159 PolarHBondContact O-N 3.1Å; L149-K161 HydrophobicContact CD1-CB 4.37Å; L149-L192 HydrophobicContact CD1-CD1 4.18Å; L149-L192 HydrophobicContact CD1-CD2 3.58Å; L149-L192 HydrophobicContact CD1-CG 3.9Å
150P96Very high93.2Very high31 Ų3118.3 Ų18.320%0.2019%0.093CC..EExtended strand (participates in β ladder)trans-66.3128.3179.526.3-35.9000113F131 C187 S188F131-P150 HydrophobicContact CD1-CB 4.32Å; F131-P150 HydrophobicContact CD2-CB 4.36Å; F131-P150 VanDerWaalsContact CE1-CA 3.49Å; F131-P150 HydrophobicContact CE1-CB 4Å; F131-P150 HydrophobicContact CE2-CB 4.02Å; F131-P150 HydrophobicContact CZ-CB 3.85Å; P150-C187 VanDerWaalsContact O-CA 3.25Å; P150-C187 WeakPolarHBondContact O-CA 3.21Å; P150-S188 VanDerWaalsContact CD-OG 3.27Å; P150-S188 WeakPolarHBondContact CD-OG 3.11Å; P150-S188 WeakPolarHBondContact CG-OG 3.4Å; P150-S188 PolarHBondContact O-N 3.06Å
151A95.4Very high93.8Very high0 Ų013.4 Ų13.40%07%0.072CC..  trans-89.7-28.6175.100000113.7L149 H153 G157 I159 F176 N177 C187L149-A151 PolarHBondContact O-N 2.98Å; A151-H153 VanDerWaalsContact C-N 3.35Å; A151-H153 PolarHBondContact O-N 3.24Å; A151-G157 WeakPolarHBondContact CB-O 3.4Å; A151-G157 PolarHBondContact N-O 3.49Å; A151-I159 HydrophobicContact CB-CD1 4.37Å; A151-I159 HydrophobicContact CB-CG1 3.93Å; A151-F176 HydrophobicContact CB-CB 4.38Å; A151-N177 PolarHBondContact O-N 3.34Å; A151-C187 WeakPolarHBondContact O-CB 3.35Å
152G93.1Very high94.5Very high6 Ų613.5 Ų13.56%0.0627%0.072CC..SBendtrans794.9175.700000116.5N177 N185G152-N177 WeakPolarHBondContact O-CB 3.34Å; G152-N185 WeakPolarHBondContact CA-O 3.46Å
153H94.8Very high94.7Very high0 Ų07.6 Ų7.60%05%0.047CC..SBendtrans-86.1-57.8179.917258.1000113.3H62 A151 D175 R242 E541 G542H62-H153 AromaticContact CD2-CD2 3.67Å; H62-H153 AromaticContact NE2-CD2 3.95Å; A151-H153 VanDerWaalsContact C-N 3.35Å; A151-H153 PolarHBondContact O-N 3.24Å; H153-D175 WeakPolarHBondContact CB-O 3.45Å; H153-R242 WeakPolarHBondContact O-CD 3.27Å; H153-R242 PolarHBondContact O-NH1 3.45Å; H153-E541 PolarHBondContact CE1-O 3.38Å; H153-E541 PolarHBondContact ND1-O 2.83Å; H153-G542 WeakPolarHBondContact CA-O 3.36Å; H153-G542 PolarHBondContact ND1-O 3.14Å
154M95.4Very high94.7Very high4 Ų49 Ų92%0.025%0.05CC..SBendtrans-121.1163.6172.5-64.7-170.2-173.500110.6P63 D64 F97 G156 G157 L184 R242P63-M154 HydrophobicContact CG-CB 4.04Å; P63-M154 HydrophobicContact CG-SD 3.87Å; D64-M154 HydrophobicContact CB-CE 3.83Å; D64-M154 HydrophobicContact CB-SD 3.98Å; F97-M154 HydrophobicContact CZ-SD 4.4Å; M154-G156 PolarHBondContact O-N 3.39Å; M154-G157 PolarHBondContact O-N 2.77Å; M154-L184 VanDerWaalsContact C-CD1 3.44Å; M154-R242 HydrophobicContact CE-CG 4.37Å
155I94.8Very high94.1Very high0 Ų014.4 Ų14.40%08%0.079CC..THydrogen-bonded Turntrans-58.6127.3178.2-170171.7000110.6P89 M93 G157 L184 L244 Q283 W286 M287P89-I155 HydrophobicContact CB-CG1 3.98Å; P89-I155 HydrophobicContact CB-CG2 4.33Å; P89-I155 HydrophobicContact CG-CG1 4.34Å; M93-I155 HydrophobicContact CE-CG2 4.4Å; M93-I155 HydrophobicContact CG-CG2 3.74Å; I155-G157 PolarHBondContact O-N 3.39Å; I155-L184 HydrophobicContact CB-CD2 4.41Å; I155-L244 HydrophobicContact CB-CD1 4.42Å; I155-L244 HydrophobicContact CD1-CD1 4.28Å; I155-L244 HydrophobicContact CG2-CD1 4.02Å; I155-Q283 HydrophobicContact CD1-CB 4.37Å; I155-W286 HydrophobicContact CG1-CB 4.46Å; I155-M287 HydrophobicContact CD1-CE 3.58Å; I155-M287 HydrophobicContact CD1-CG 4.36Å
156G94Very high92.9Very high2 Ų218.1 Ų18.12%0.02112%0.119CC..THydrogen-bonded Turntrans69.62.9-174.500000115.8T87 V90 M154 T158T87-G156 PolarHBondContact OG1-O 2.85Å; V90-G156 WeakPolarHBondContact CG2-O 3.25Å; M154-G156 PolarHBondContact O-N 3.39Å; G156-T158 WeakPolarHBondContact O-CG2 3.21Å
157G96.3Very high91.7Very high1 Ų120.6 Ų20.61%0.0113%0.131CC..  trans-55.3138.5177.900000112.2S61 A151 M154 I155S61-G157 CarbonylContact O-C 3.58Å; S61-G157 WeakPolarHBondContact O-CA 3.38Å; A151-G157 WeakPolarHBondContact CB-O 3.4Å; A151-G157 PolarHBondContact N-O 3.49Å; M154-G157 PolarHBondContact O-N 2.77Å; I155-G157 PolarHBondContact O-N 3.39Å
158T96.4Very high90.4Very high0 Ų024.4 Ų24.40%015%0.148CC..EExtended strand (participates in β ladder)trans-124.5143-168.150.10000114.7L60 S61 T87 F131 P148 L149 G156 W160L60-T158 PolarHBondContact O-OG1 3.43Å; S61-T158 VanDerWaalsContact CA-OG1 3.28Å; S61-T158 WeakPolarHBondContact CA-OG1 3.34Å; S61-T158 PolarHBondContact O-N 3.13Å; S61-T158 PolarHBondContact O-OG1 3Å; T87-T158 HydrophobicContact CG2-CG2 3.24Å; F131-T158 HydrophobicContact CD1-CG2 4.3Å; F131-T158 HydrophobicContact CE1-CG2 3.75Å; P148-T158 HydrophobicContact CB-CG2 3.61Å; L149-T158 CarbonylContact O-C 3.59Å; L149-T158 VanDerWaalsContact O-CA 3.23Å; L149-T158 WeakPolarHBondContact O-CA 3.35Å; G156-T158 WeakPolarHBondContact O-CG2 3.21Å; T158-W160 PolarHBondContact OG1-NE1 3.3Å
159I96.7Very high90Very high0 Ų026 Ų260%016%0.156CC..EExtended strand (participates in β ladder)trans-101.2127.2159.4-66.2165.3000106.2L149 A151 V171 Y172 A173 F176 C187 L189L149-I159 HydrophobicContact CB-CB 4.28Å; L149-I159 PolarHBondContact N-O 2.88Å; L149-I159 PolarHBondContact O-N 3.1Å; A151-I159 HydrophobicContact CB-CD1 4.37Å; A151-I159 HydrophobicContact CB-CG1 3.93Å; I159-V171 HydrophobicContact CG2-CG1 3.74Å; I159-Y172 CarbonylContact C-O 3.55Å; I159-Y172 WeakPolarHBondContact CA-O 3.31Å; I159-Y172 WeakPolarHBondContact CG2-O 3.43Å; I159-A173 HydrophobicContact CB-CB 4.42Å; I159-A173 HydrophobicContact CD1-CB 4.28Å; I159-A173 HydrophobicContact CG1-CB 3.99Å; I159-A173 HydrophobicContact CG2-CB 3.71Å; I159-F176 HydrophobicContact CD1-CB 3.95Å; I159-F176 HydrophobicContact CG1-CB 4.4Å; I159-C187 HydrophobicContact CD1-CB 4.07Å; I159-L189 HydrophobicContact CD1-CD1 4.24Å; I159-L189 HydrophobicContact CD1-CD2 3.73Å; I159-L189 HydrophobicContact CD1-CG 3.73Å; I159-L189 HydrophobicContact CG2-CD2 4.3Å
160W97.1Very high89.9Confident0 Ų025.8 Ų25.80%016%0.155CC..EExtended strand (participates in β ladder)trans-93.1123-178.9-72.197000110.8L59 L60 Y85 L129 I146 P148 T158 V171 Y172L59-W160 HydrophobicContact CB-CD2 4.03Å; L59-W160 HydrophobicContact CB-CG 4.18Å; L59-W160 HydrophobicContact CB-CZ2 4.3Å; L59-W160 HydrophobicContact CD1-CB 4.2Å; L59-W160 HydrophobicContact CD1-CD2 4.02Å; L59-W160 HydrophobicContact CD1-CE3 4.16Å; L59-W160 HydrophobicContact CD1-CG 4.05Å; L59-W160 HydrophobicContact CD2-CD2 4.32Å; L59-W160 HydrophobicContact CD2-CE3 4.12Å; L59-W160 HydrophobicContact CD2-CH2 4.2Å; L59-W160 HydrophobicContact CD2-CZ2 4.41Å; L59-W160 HydrophobicContact CD2-CZ3 4.06Å; L59-W160 HydrophobicContact CG-CD2 4.35Å; L60-W160 WeakPolarHBondContact O-CZ2 3.25Å; L60-W160 PolarHBondContact O-NE1 2.92Å; Y85-W160 WeakPolarHBondContact O-CZ2 3.29Å; L129-W160 HydrophobicContact CD1-CH2 3.77Å; L129-W160 HydrophobicContact CD1-CZ3 3.89Å; I146-W160 HydrophobicContact CB-CE3 4.32Å; I146-W160 HydrophobicContact CB-CZ3 4.31Å; I146-W160 HydrophobicContact CD1-CZ3 3.99Å; I146-W160 HydrophobicContact CG1-CZ3 4.31Å; P148-W160 HydrophobicContact CB-CE3 4.22Å; P148-W160 HydrophobicContact CB-CH2 4.14Å; P148-W160 HydrophobicContact CB-CZ3 3.95Å; P148-W160 HydrophobicContact CG-CZ3 4.29Å; T158-W160 PolarHBondContact OG1-NE1 3.3Å; W160-V171 WeakPolarHBondContact O-CA 3.49Å; W160-Y172 PolarHBondContact N-O 3.12Å; W160-Y172 PolarHBondContact O-N 2.96Å
161K95.3Very high89.9Confident44 Ų4424.3 Ų24.319%0.19115%0.145CC..EExtended strand (participates in β ladder)trans-101.4117.1169.3-171.3-177.584.7151.30109.2I146 T147 L149 V163 E169 L192I146-K161 CarbonylContact C-O 3.5Å; I146-K161 WeakPolarHBondContact CA-O 3.48Å; T147-K161 PolarHBondContact N-O 2.75Å; T147-K161 PolarHBondContact O-N 3.45Å; L149-K161 HydrophobicContact CD1-CB 4.37Å; K161-V163 HydrophobicContact CD-CG2 4.33Å; K161-V163 HydrophobicContact CG-CG2 4.04Å; K161-E169 WeakPolarHBondContact CD-OE1 3.24Å; K161-E169 WeakPolarHBondContact CE-OE1 3.44Å; K161-E169 HydrophobicContact CG-CB 4.4Å; K161-E169 IonicContact NZ-OE1 3.19Å; K161-E169 PolarHBondContact NZ-OE1 2.83Å; K161-L192 HydrophobicContact CB-CD2 4.36Å; K161-L192 HydrophobicContact CD-CD2 3.47Å; K161-L192 VanDerWaalsContact CD-CD2 3.47Å; K161-L192 HydrophobicContact CG-CD2 3.93Å
162I94.8Very high90Very high1 Ų124.3 Ų24.31%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-111.6122.3-179.6-53.6171000107.4L23 F30 L32 L59 L144 S145 I146 I170L23-I162 HydrophobicContact CD2-CD1 3.67Å; F30-I162 HydrophobicContact CD2-CD1 4.4Å; F30-I162 HydrophobicContact CE2-CG2 4Å; F30-I162 HydrophobicContact CZ-CG2 4.14Å; L32-I162 HydrophobicContact CD2-CD1 4.3Å; L59-I162 HydrophobicContact CD1-CD1 3.81Å; L59-I162 HydrophobicContact CD1-CG1 4.17Å; L144-I162 HydrophobicContact CD2-CG2 4.41Å; S145-I162 WeakPolarHBondContact O-CA 3.38Å; I146-I162 HydrophobicContact CG2-CG1 4.36Å; I162-I170 HydrophobicContact CB-CB 4.24Å; I162-I170 PolarHBondContact N-O 3.43Å; I162-I170 PolarHBondContact O-N 3.1Å
163V91.2Very high90.1Very high27 Ų2724.1 Ų24.116%0.16414%0.143CC..EExtended strand (participates in β ladder)trans-125.8127.5-176.6-173.90000109.5S145 K161 E169S145-V163 PolarHBondContact N-O 2.9Å; S145-V163 PolarHBondContact O-N 2.71Å; S145-V163 PolarHBondContact OG-O 2.99Å; K161-V163 HydrophobicContact CD-CG2 4.33Å; K161-V163 HydrophobicContact CG-CG2 4.04Å; V163-E169 HydrophobicContact CG2-CB 4.21Å; V163-E169 HydrophobicContact CG2-CG 3.87Å
164K86Confident90.1Very high38 Ų3824.1 Ų24.117%0.16514%0.143CC..EExtended strand (participates in β ladder)trans-97.1140.3170.8-176.676179.7-172.30109.9D26 H142 G143 L144 G166 E167D26-K164 VanDerWaalsContact OD2-CE 3.31Å; D26-K164 WeakPolarHBondContact OD2-CE 3.16Å; D26-K164 IonicContact OD2-NZ 3.45Å; D26-K164 PolarHBondContact OD2-NZ 3.12Å; H142-K164 PolarHBondContact O-NZ 2.86Å; H142-K164 VanDerWaalsContact O-NZ 3.12Å; G143-K164 CarbonylContact O-C 3.5Å; G143-K164 WeakPolarHBondContact O-CA 3.34Å; L144-K164 HydrophobicContact CD2-CB 3.93Å; L144-K164 HydrophobicContact CD2-CD 3.49Å; L144-K164 VanDerWaalsContact CD2-CD 3.49Å; L144-K164 HydrophobicContact CD2-CG 4.31Å; L144-K164 HydrophobicContact CG-CD 3.86Å; K164-G166 PolarHBondContact O-N 2.75Å; K164-E167 HydrophobicContact CB-CB 4.19Å; K164-E167 HydrophobicContact CB-CG 4.34Å; K164-E167 HydrophobicContact CG-CG 4.27Å; K164-E167 PolarHBondContact O-N 2.77Å
165D79.9Confident90.1Very high117 Ų11724 Ų2463%0.62614%0.142SC*.THydrogen-bonded Turntrans-54.7119.2178.1-74.9-15.2000111.9G143 E167G143-D165 WeakPolarHBondContact CA-OD2 3.32Å; G143-D165 PolarHBondContact O-N 2.96Å; D165-E167 VanDerWaalsContact C-N 3.34Å
166G68.6Low90.1Very high92 Ų9224.2 Ų24.295%0.94814%0.143SC*.THydrogen-bonded Turntrans83.52.3178.700000115.3K164K164-G166 PolarHBondContact O-N 2.75Å
167E70.8Confident90.1Very high52 Ų5224.2 Ų24.224%0.24314%0.143CC..SBendtrans-117.3171.9178-57.6-153.4141.800113.7T2 S3 K164 D165T2-E167 VanDerWaalsContact CA-OE1 3.31Å; T2-E167 WeakPolarHBondContact CA-OE1 3.34Å; S3-E167 WeakPolarHBondContact CB-OE2 3.37Å; S3-E167 PolarHBondContact N-OE1 2.9Å; S3-E167 PolarHBondContact OG-OE2 3.32Å; K164-E167 HydrophobicContact CB-CB 4.19Å; K164-E167 HydrophobicContact CB-CG 4.34Å; K164-E167 HydrophobicContact CG-CG 4.27Å; K164-E167 PolarHBondContact O-N 2.77Å; D165-E167 VanDerWaalsContact C-N 3.34Å
168E70.2Confident89.9Confident87 Ų8726.9 Ų26.941%0.40716%0.155SC..PPolyproline II helixtrans-87.6153176.7-73.5-165.3-17300112.7S196 R559E168-S196 PolarHBondContact O-OG 3.05Å; E168-R559 VanDerWaalsContact CD-NH2 3.31Å; E168-R559 IonicContact OE1-CZ 3.9Å; E168-R559 IonicContact OE1-NE 2.88Å; E168-R559 IonicContact OE1-NH2 3.89Å; E168-R559 PolarHBondContact OE1-NH2 2.78Å; E168-R559 IonicContact OE2-CZ 2.81Å; E168-R559 IonicContact OE2-NE 2.77Å; E168-R559 PolarHBondContact OE2-NE 3.49Å; E168-R559 IonicContact OE2-NH2 3.71Å; E168-R559 PolarHBondContact OE2-NH2 2.94Å
169E88.4Confident89.7Confident34 Ų3430 Ų3016%0.15917%0.168CC..PPolyproline II helixtrans-70135.3-164.3-47.9-177.413200113.7K161 V163 P195 S196K161-E169 WeakPolarHBondContact CD-OE1 3.24Å; K161-E169 WeakPolarHBondContact CE-OE1 3.44Å; K161-E169 HydrophobicContact CG-CB 4.4Å; K161-E169 IonicContact NZ-OE1 3.19Å; K161-E169 PolarHBondContact NZ-OE1 2.83Å; V163-E169 HydrophobicContact CG2-CB 4.21Å; V163-E169 HydrophobicContact CG2-CG 3.87Å; E169-P195 WeakPolarHBondContact O-CB 3.3Å; E169-S196 PolarHBondContact O-N 3.37Å; E169-S196 PolarHBondContact O-OG 3.28Å
170I93.7Very high89.5Confident6 Ų637.9 Ų37.93%0.03120%0.198CC..EExtended strand (participates in β ladder)trans-94.8130.1167.8-56.7167.6000108I5 L23 V25 I162 L197I5-I170 HydrophobicContact CD1-CD1 3.78Å; I5-I170 HydrophobicContact CD1-CG1 4.2Å; I5-I170 HydrophobicContact CG1-CD1 4.13Å; I5-I170 HydrophobicContact CG2-CD1 4.09Å; L23-I170 HydrophobicContact CD2-CG2 4.15Å; V25-I170 HydrophobicContact CG2-CD1 3.87Å; I162-I170 HydrophobicContact CB-CB 4.24Å; I162-I170 PolarHBondContact N-O 3.43Å; I162-I170 PolarHBondContact O-N 3.1Å; I170-L197 HydrophobicContact CG1-CB 4.38Å; I170-L197 HydrophobicContact CG2-CB 4.21Å; I170-L197 HydrophobicContact CG2-CD2 4.02Å; I170-L197 HydrophobicContact CG2-CG 4.25Å
171V95.8Very high89.2Confident0 Ų038.6 Ų38.60%020%0.202CC..EExtended strand (participates in β ladder)trans-122.1122-177.6179.80000109.7I159 W160 A173 L192 P195 L197 L198 I199I159-V171 HydrophobicContact CG2-CG1 3.74Å; W160-V171 WeakPolarHBondContact O-CA 3.49Å; V171-A173 HydrophobicContact CG1-CB 4.13Å; V171-L192 HydrophobicContact CB-CD1 4.48Å; V171-L192 HydrophobicContact CG1-CD1 3.7Å; V171-L192 HydrophobicContact CG2-CD1 3.95Å; V171-L192 HydrophobicContact CG2-CD2 3.99Å; V171-L192 HydrophobicContact CG2-CG 4.49Å; V171-P195 HydrophobicContact CG2-CB 3.81Å; V171-P195 HydrophobicContact CG2-CG 4.43Å; V171-L197 PolarHBondContact N-O 3.03Å; V171-L198 HydrophobicContact CB-CD1 3.9Å; V171-L198 HydrophobicContact CG1-CD1 3.74Å; V171-L198 WeakPolarHBondContact O-CA 3.34Å; V171-I199 PolarHBondContact O-N 3.03Å
172Y96.9Very high89Confident0 Ų037.6 Ų37.60%020%0.198CC..EExtended strand (participates in β ladder)trans-103.6106.8169.5176.3-107.8000109.4Y21 L32 D33 I159 W160 V174 I199Y21-Y172 AromaticContact CD2-CE2 3.75Å; Y21-Y172 HydrophobicContact CD2-CE2 3.75Å; Y21-Y172 HydrophobicContact CE2-CE2 4Å; Y21-Y172 WeakPolarHBondContact CE2-OH 3.46Å; L32-Y172 HydrophobicContact CB-CD1 4.49Å; L32-Y172 HydrophobicContact CB-CD2 4.42Å; L32-Y172 HydrophobicContact CB-CE1 4.26Å; L32-Y172 HydrophobicContact CB-CE2 4.19Å; L32-Y172 HydrophobicContact CD1-CD2 3.68Å; L32-Y172 HydrophobicContact CD1-CE2 4.13Å; L32-Y172 HydrophobicContact CD1-CG 3.95Å; D33-Y172 WeakPolarHBondContact OD2-CE1 3.29Å; D33-Y172 PolarHBondContact OD2-OH 3.41Å; I159-Y172 CarbonylContact C-O 3.55Å; I159-Y172 WeakPolarHBondContact CA-O 3.31Å; I159-Y172 WeakPolarHBondContact CG2-O 3.43Å; W160-Y172 PolarHBondContact N-O 3.12Å; W160-Y172 PolarHBondContact O-N 2.96Å; Y172-V174 HydrophobicContact CD2-CG1 4.27Å; Y172-V174 HydrophobicContact CE1-CG1 4.35Å; Y172-V174 HydrophobicContact CE1-CG2 3.71Å; Y172-V174 HydrophobicContact CE2-CG1 3.51Å; Y172-V174 HydrophobicContact CE2-CG2 4.38Å; Y172-V174 WeakPolarHBondContact OH-CG2 3.42Å; Y172-I199 HydrophobicContact CD2-CB 3.94Å; Y172-I199 HydrophobicContact CD2-CD1 4.41Å; Y172-I199 HydrophobicContact CD2-CG2 3.74Å; Y172-I199 HydrophobicContact CE2-CG2 4.05Å
173A95.6Very high88.9Confident1 Ų137.6 Ų37.61%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-130.785.9-17400000110.4I159 V171 F176 L189 L198 I199 T200I159-A173 HydrophobicContact CB-CB 4.42Å; I159-A173 HydrophobicContact CD1-CB 4.28Å; I159-A173 HydrophobicContact CG1-CB 3.99Å; I159-A173 HydrophobicContact CG2-CB 3.71Å; V171-A173 HydrophobicContact CG1-CB 4.13Å; A173-F176 HydrophobicContact CB-CD1 4.2Å; A173-L189 HydrophobicContact CB-CD2 4.19Å; A173-L198 HydrophobicContact CB-CD1 4.14Å; A173-I199 PolarHBondContact N-O 3.43Å; A173-T200 WeakPolarHBondContact O-CA 3.29Å; A173-T200 PolarHBondContact O-OG1 3.46Å
174V94.8Very high89.1Confident0 Ų036.6 Ų36.60%019%0.192CC..  trans-102.1151.5173.5-64.40000110.5L19 H62 Y172 F176 V564L19-V174 HydrophobicContact CD1-CB 4.06Å; L19-V174 HydrophobicContact CD1-CG1 4.29Å; L19-V174 HydrophobicContact CD1-CG2 3.91Å; H62-V174 PolarHBondContact CE1-O 3.09Å; Y172-V174 HydrophobicContact CD2-CG1 4.27Å; Y172-V174 HydrophobicContact CE1-CG1 4.35Å; Y172-V174 HydrophobicContact CE1-CG2 3.71Å; Y172-V174 HydrophobicContact CE2-CG1 3.51Å; Y172-V174 HydrophobicContact CE2-CG2 4.38Å; Y172-V174 WeakPolarHBondContact OH-CG2 3.42Å; V174-F176 PolarHBondContact O-N 3.22Å; V174-V564 HydrophobicContact CG1-CG2 4.12Å
175D94.1Very high89.4Confident1 Ų137.1 Ų37.11%0.00520%0.196CC..SBendtrans54.131.7169.6-82.3-13.3000114.8H67 H153 D201 R543H67-D175 IonicContact CE1-OD2 3.3Å; H67-D175 PolarHBondContact CE1-OD2 3.39Å; H67-D175 VanDerWaalsContact CE1-OD2 3.24Å; H67-D175 IonicContact NE2-OD2 2.79Å; H67-D175 PolarHBondContact NE2-OD2 3.08Å; H153-D175 WeakPolarHBondContact CB-O 3.45Å; D175-D201 PolarHBondContact N-OD1 3.43Å; D175-R543 IonicContact OD1-CZ 3.93Å; D175-R543 IonicContact OD1-NE 3.72Å; D175-R543 PolarHBondContact OD1-NE 3.44Å; D175-R543 IonicContact OD1-NH2 3.91Å; D175-R543 PolarHBondContact OD1-NH2 3.09Å; D175-R543 IonicContact OD2-CZ 3.68Å; D175-R543 IonicContact OD2-NE 3.67Å; D175-R543 PolarHBondContact OD2-NE 3.4Å; D175-R543 IonicContact OD2-NH2 2.72Å; D175-R543 PolarHBondContact OD2-NH2 3.02Å
176F94.9Very high90Very high6 Ų632.6 Ų32.63%0.02618%0.177CC..  trans-84.3153.9-174.967.4-90.5000113.7A151 I159 A173 V174 C187 L189 S544 I549 I552A151-F176 HydrophobicContact CB-CB 4.38Å; I159-F176 HydrophobicContact CD1-CB 3.95Å; I159-F176 HydrophobicContact CG1-CB 4.4Å; A173-F176 HydrophobicContact CB-CD1 4.2Å; V174-F176 PolarHBondContact O-N 3.22Å; F176-C187 HydrophobicContact CB-CB 4.35Å; F176-C187 HydrophobicContact CD2-CB 4.49Å; F176-L189 HydrophobicContact CD1-CD1 4.3Å; F176-L189 HydrophobicContact CD2-CD1 3.5Å; F176-L189 VanDerWaalsContact CD2-CD1 3.5Å; F176-L189 HydrophobicContact CE1-CD1 4.25Å; F176-L189 HydrophobicContact CE2-CD1 3.45Å; F176-L189 VanDerWaalsContact CE2-CD1 3.45Å; F176-L189 HydrophobicContact CG-CD1 3.93Å; F176-L189 HydrophobicContact CZ-CD1 3.83Å; F176-S544 WeakPolarHBondContact O-CB 3.34Å; F176-S544 PolarHBondContact O-N 3.39Å; F176-S544 PolarHBondContact O-OG 3.44Å; F176-I549 HydrophobicContact CE1-CD1 4.35Å; F176-I549 HydrophobicContact CZ-CD1 4.25Å; F176-I549 HydrophobicContact CZ-CG1 3.97Å; F176-I552 HydrophobicContact CE2-CD1 3.85Å
177N95.1Very high91.1Very high1 Ų129 Ų291%0.00514%0.137CC..  trans-122.7114.7178.8-167.9-0.2000111.6A151 G152 K179 E181 G186 C187 G542 S544A151-N177 PolarHBondContact O-N 3.34Å; G152-N177 WeakPolarHBondContact O-CB 3.34Å; N177-K179 VanDerWaalsContact C-N 3.33Å; N177-K179 WeakPolarHBondContact OD1-CB 3.31Å; N177-K179 PolarHBondContact OD1-N 3.33Å; N177-E181 PolarHBondContact ND2-OE1 3.48Å; N177-G186 CarbonylContact O-C 3.59Å; N177-G186 WeakPolarHBondContact O-CA 3.46Å; N177-C187 PolarHBondContact O-N 2.98Å; N177-G542 VanDerWaalsContact CB-O 3.27Å; N177-G542 WeakPolarHBondContact CB-O 3.44Å; N177-G542 PolarHBondContact ND2-O 3.36Å; N177-S544 WeakPolarHBondContact CA-OG 3.49Å
178H92.3Very high91.8Very high58 Ų5827.4 Ų27.427%0.26913%0.132SC..  trans-78.3-16.8175.371.8-77.1000113.6S544 D545 S548 I552H178-S544 PolarHBondContact N-OG 2.87Å; H178-S544 VanDerWaalsContact N-OG 3.09Å; H178-S544 WeakPolarHBondContact ND1-CB 3.08Å; H178-S544 PolarHBondContact ND1-OG 2.92Å; H178-D545 IonicContact CE1-OD1 3.04Å; H178-D545 PolarHBondContact CE1-OD1 3.08Å; H178-D545 VanDerWaalsContact CE1-OD1 3.28Å; H178-D545 IonicContact NE2-OD1 3.67Å; H178-S548 WeakPolarHBondContact CE1-CB 3.45Å; H178-S548 PolarHBondContact CE1-OG 3.24Å; H178-S548 VanDerWaalsContact CE1-OG 3.23Å; H178-S548 PolarHBondContact NE2-OG 3.37Å; H178-I552 HydrophobicContact CB-CD1 3.64Å
179K91.8Very high92.3Very high64 Ų6423.6 Ų23.628%0.27811%0.114SC..SBendtrans-80.9140.1-177.4-64.8174.9-176.8153.50109.7N177 D545N177-K179 VanDerWaalsContact C-N 3.33Å; N177-K179 WeakPolarHBondContact OD1-CB 3.31Å; N177-K179 PolarHBondContact OD1-N 3.33Å; K179-D545 VanDerWaalsContact CE-OD1 3.31Å; K179-D545 WeakPolarHBondContact CE-OD1 3.37Å; K179-D545 IonicContact NZ-OD1 3.39Å; K179-D545 PolarHBondContact NZ-OD1 2.81Å
180R92.1Very high91.4Very high166 Ų16629.9 Ų29.963%0.62614%0.144SC*.  trans-78.5123.5167.9-175173.668-173.2-1.6110
181E91.5Very high90.3Very high16 Ų1636.5 Ų36.58%0.07518%0.176CC..  trans-99.5-167.4178.8-62.4-161.815800111.5N177 L184 R242 G542N177-E181 PolarHBondContact ND2-OE1 3.48Å; E181-L184 PolarHBondContact N-O 3.3Å; E181-R242 IonicContact OE1-CZ 2.75Å; E181-R242 IonicContact OE1-NH1 3.78Å; E181-R242 IonicContact OE1-NH2 3.55Å; E181-R242 PolarHBondContact OE1-NH2 3.1Å; E181-R242 IonicContact OE2-CZ 2.76Å; E181-R242 IonicContact OE2-NH1 3.6Å; E181-R242 PolarHBondContact OE2-NH1 3.33Å; E181-R242 IonicContact OE2-NH2 2.7Å; E181-R242 PolarHBondContact OE2-NH2 3.43Å; E181-G542 WeakPolarHBondContact OE1-CA 3.25Å
182I91.4Very high89.4Confident23 Ų2337.1 Ų37.112%0.11818%0.179CC..SBendtrans-70.9-56177.6-60.1166.2000109.1R212 E245 Q248 L249 S288I182-R212 VanDerWaalsContact CD1-NH2 3.28Å; I182-E245 WeakPolarHBondContact CB-OE1 3.35Å; I182-E245 WeakPolarHBondContact CB-OE2 3.24Å; I182-E245 VanDerWaalsContact CG1-OE1 3.26Å; I182-E245 WeakPolarHBondContact CG1-OE1 3.46Å; I182-E245 PolarHBondContact N-OE1 3.45Å; I182-E245 PolarHBondContact N-OE2 3.46Å; I182-E245 VanDerWaalsContact N-OE2 3.16Å; I182-Q248 HydrophobicContact CG2-CG 3.7Å; I182-L249 HydrophobicContact CD1-CB 3.8Å; I182-L249 HydrophobicContact CD1-CD1 3.92Å; I182-L249 HydrophobicContact CD1-CG 4.42Å; I182-S288 PolarHBondContact O-OG 3.11Å
183H92.3Very high88.4Confident0 Ų041 Ų410%021%0.206CC..SBendtrans-93.7-17.4-172.181.6-65.8000114E245 M287 S288 L291 F303H183-E245 IonicContact CE1-OE2 3.92Å; H183-E245 IonicContact CG-OE2 2.74Å; H183-E245 PolarHBondContact N-OE2 2.95Å; H183-E245 IonicContact ND1-OE2 3.28Å; H183-E245 PolarHBondContact ND1-OE2 2.78Å; H183-M287 CarbonylContact O-C 3.58Å; H183-M287 VanDerWaalsContact O-CA 3.26Å; H183-M287 WeakPolarHBondContact O-CA 3.26Å; H183-M287 VanDerWaalsContact O-CB 3.24Å; H183-M287 WeakPolarHBondContact O-CB 3.39Å; H183-S288 PolarHBondContact O-N 3.23Å; H183-L291 HydrophobicContact CB-CD1 3.98Å; H183-F303 HydrophobicContact CB-CZ 4.07Å
184L94.3Very high87.9Confident7 Ų746.3 Ų46.34%0.03723%0.226CC..  trans-120.8148.1179.1-60.8174.8000113.4M154 I155 E181M154-L184 VanDerWaalsContact C-CD1 3.44Å; I155-L184 HydrophobicContact CB-CD2 4.41Å; E181-L184 PolarHBondContact N-O 3.3Å
185N93.2Very high87.6Confident49 Ų4946.3 Ų46.326%0.26223%0.226SC..PPolyproline II helixtrans-76.6158.8164.3-71-30.8000110.1G152 S288 D289G152-N185 WeakPolarHBondContact CA-O 3.46Å; N185-S288 VanDerWaalsContact OD1-CA 3.31Å; N185-S288 WeakPolarHBondContact OD1-CA 3.46Å; N185-S288 WeakPolarHBondContact OD1-CB 3.24Å; N185-D289 PolarHBondContact ND2-OD1 3.03Å; N185-D289 PolarHBondContact OD1-N 2.86Å
186G91.8Very high87.4Confident21 Ų2146.6 Ų46.622%0.21623%0.228CC..PPolyproline II helixtrans-70.3164.517200000111.9N177N177-G186 CarbonylContact O-C 3.59Å; N177-G186 WeakPolarHBondContact O-CA 3.46Å
187C92.3Very high87.3Confident18 Ų1846.4 Ų46.412%0.12223%0.227CC..PPolyproline II helixtrans-59.4147.8179.368.60000112.4P150 A151 I159 F176 N177 L189P150-C187 VanDerWaalsContact O-CA 3.25Å; P150-C187 WeakPolarHBondContact O-CA 3.21Å; A151-C187 WeakPolarHBondContact O-CB 3.35Å; I159-C187 HydrophobicContact CD1-CB 4.07Å; F176-C187 HydrophobicContact CB-CB 4.35Å; F176-C187 HydrophobicContact CD2-CB 4.49Å; N177-C187 PolarHBondContact O-N 2.98Å; C187-L189 HydrophobicContact CB-CG 4.45Å; C187-L189 PolarHBondContact O-N 3.06Å
188S85.4Confident87.3Confident17 Ų1746.5 Ų46.512%0.11923%0.228CC..  trans-98.736.6179.470.30000113.6P150 E190 M191P150-S188 VanDerWaalsContact CD-OG 3.27Å; P150-S188 WeakPolarHBondContact CD-OG 3.11Å; P150-S188 WeakPolarHBondContact CG-OG 3.4Å; P150-S188 PolarHBondContact O-N 3.06Å; S188-E190 PolarHBondContact O-N 2.92Å; S188-E190 VanDerWaalsContact O-N 3.12Å; S188-M191 WeakPolarHBondContact O-CB 3.39Å; S188-M191 PolarHBondContact O-N 3.45Å; S188-M191 VanDerWaalsContact O-N 3.08Å
189L80.1Confident87.5Confident7 Ų743.8 Ų43.84%0.03722%0.215CC..G310 helixtrans-59.1-22.7178.3-76.7167.8000112.8I159 A173 F176 C187 M191 L192 I552 M556I159-L189 HydrophobicContact CD1-CD1 4.24Å; I159-L189 HydrophobicContact CD1-CD2 3.73Å; I159-L189 HydrophobicContact CD1-CG 3.73Å; I159-L189 HydrophobicContact CG2-CD2 4.3Å; A173-L189 HydrophobicContact CB-CD2 4.19Å; F176-L189 HydrophobicContact CD1-CD1 4.3Å; F176-L189 HydrophobicContact CD2-CD1 3.5Å; F176-L189 VanDerWaalsContact CD2-CD1 3.5Å; F176-L189 HydrophobicContact CE1-CD1 4.25Å; F176-L189 HydrophobicContact CE2-CD1 3.45Å; F176-L189 VanDerWaalsContact CE2-CD1 3.45Å; F176-L189 HydrophobicContact CG-CD1 3.93Å; F176-L189 HydrophobicContact CZ-CD1 3.83Å; C187-L189 HydrophobicContact CB-CG 4.45Å; C187-L189 PolarHBondContact O-N 3.06Å; L189-M191 PolarHBondContact O-N 3.28Å; L189-L192 HydrophobicContact CD2-CD1 3.55Å; L189-L192 WeakPolarHBondContact O-CB 3.48Å; L189-L192 PolarHBondContact O-N 3.15Å; L189-L192 VanDerWaalsContact O-N 3.12Å; L189-I552 HydrophobicContact CB-CG2 4.33Å; L189-I552 HydrophobicContact CD1-CG2 3.77Å; L189-M556 HydrophobicContact CB-SD 4.26Å; L189-M556 HydrophobicContact CD2-CE 4.22Å; L189-M556 HydrophobicContact CD2-SD 4.17Å
190E70.6Confident87.6Confident167 Ų16740.8 Ų40.878%0.7820%0.202SC*.G310 helixtrans-64.7-19.9176.1-60.7-178.8173.900113.9S188 L192S188-E190 PolarHBondContact O-N 2.92Å; S188-E190 VanDerWaalsContact O-N 3.12Å; E190-L192 VanDerWaalsContact C-N 3.26Å
191M70.8Confident87.7Confident144 Ų14433.2 Ų33.271%0.70917%0.174SC*.G310 helixtrans-76.7-17.2176-61.6-173.4-17800112.5S188 L189S188-M191 WeakPolarHBondContact O-CB 3.39Å; S188-M191 PolarHBondContact O-N 3.45Å; S188-M191 VanDerWaalsContact O-N 3.08Å; L189-M191 PolarHBondContact O-N 3.28Å
192L76.2Confident87.7Confident14 Ų1432.4 Ų32.47%0.07317%0.171CC..  trans-82.1126.6-179.9-62.2166.3000108.8L149 K161 V171 L189 E190 M556L149-L192 HydrophobicContact CD1-CD1 4.18Å; L149-L192 HydrophobicContact CD1-CD2 3.58Å; L149-L192 HydrophobicContact CD1-CG 3.9Å; K161-L192 HydrophobicContact CB-CD2 4.36Å; K161-L192 HydrophobicContact CD-CD2 3.47Å; K161-L192 VanDerWaalsContact CD-CD2 3.47Å; K161-L192 HydrophobicContact CG-CD2 3.93Å; V171-L192 HydrophobicContact CB-CD1 4.48Å; V171-L192 HydrophobicContact CG1-CD1 3.7Å; V171-L192 HydrophobicContact CG2-CD1 3.95Å; V171-L192 HydrophobicContact CG2-CD2 3.99Å; V171-L192 HydrophobicContact CG2-CG 4.49Å; L189-L192 HydrophobicContact CD2-CD1 3.55Å; L189-L192 WeakPolarHBondContact O-CB 3.48Å; L189-L192 PolarHBondContact O-N 3.15Å; L189-L192 VanDerWaalsContact O-N 3.12Å; E190-L192 VanDerWaalsContact C-N 3.26Å; L192-M556 HydrophobicContact CB-CE 4.15Å; L192-M556 HydrophobicContact CD1-CE 4.01Å
193S75.4Confident87.7Confident80 Ų8031.6 Ų31.656%0.55917%0.166SC*.  trans-73.7-179.5167.674.30000109.7P195S193-P195 WeakPolarHBondContact O-CD 3.45Å
194R85.3Confident87.7Confident114 Ų11431.8 Ų31.843%0.4317%0.167SC..SBendtrans-54.9101.2-180-169.3-174.9-177.1-177.6-4.1110.6K557R194-K557 WeakPolarHBondContact CG-O 3.35Å; R194-K557 PolarHBondContact NE-O 2.89Å
195P89Confident87.6Confident0 Ų031.5 Ų31.50%017%0.166CC..  trans-78.1156.1-172.332.9-33000111E169 V171 S193 L198 M556 P558 R559E169-P195 WeakPolarHBondContact O-CB 3.3Å; V171-P195 HydrophobicContact CG2-CB 3.81Å; V171-P195 HydrophobicContact CG2-CG 4.43Å; S193-P195 WeakPolarHBondContact O-CD 3.45Å; P195-L198 HydrophobicContact CG-CB 4.36Å; P195-M556 HydrophobicContact CG-CE 4.05Å; P195-P558 HydrophobicContact CG-CB 3.9Å; P195-R559 PolarHBondContact O-N 2.78Å
196S89.9Confident87.5Confident7 Ų733 Ų335%0.04918%0.177CC..SBendtrans-68.6-46.8175.760.50000110.5E168 E169 Q560E168-S196 PolarHBondContact O-OG 3.05Å; E169-S196 PolarHBondContact O-N 3.37Å; E169-S196 PolarHBondContact O-OG 3.28Å; S196-Q560 WeakPolarHBondContact O-CB 3.39Å; S196-Q560 PolarHBondContact O-N 2.93Å
197L92.6Very high87.5Confident1 Ų134.8 Ų34.81%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-133.9127.3178.5174.261.3000109.8I5 I170 V171 I199 Q560 I562 A599I5-L197 HydrophobicContact CG2-CD2 3.79Å; I170-L197 HydrophobicContact CG1-CB 4.38Å; I170-L197 HydrophobicContact CG2-CB 4.21Å; I170-L197 HydrophobicContact CG2-CD2 4.02Å; I170-L197 HydrophobicContact CG2-CG 4.25Å; V171-L197 PolarHBondContact N-O 3.03Å; L197-I199 HydrophobicContact CD1-CG1 4.43Å; L197-I199 HydrophobicContact CD2-CD1 4.28Å; L197-I199 HydrophobicContact CD2-CG1 4.24Å; L197-I199 HydrophobicContact CG-CG1 4.15Å; L197-Q560 WeakPolarHBondContact CA-O 3.22Å; L197-Q560 HydrophobicContact CD1-CB 4.06Å; L197-I562 HydrophobicContact CD1-CD1 3.71Å; L197-I562 HydrophobicContact CD1-CG1 3.74Å; L197-I562 HydrophobicContact CD2-CD1 4.25Å; L197-A599 HydrophobicContact CD1-CB 4.18Å; L197-A599 HydrophobicContact CD2-CB 3.96Å
198L94.9Very high87.4Confident4 Ų439.6 Ų39.62%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-111.3124.4167.3178.662.6000109V171 A173 P195 I553 M556 P558 Q560 L561 I562V171-L198 HydrophobicContact CB-CD1 3.9Å; V171-L198 HydrophobicContact CG1-CD1 3.74Å; V171-L198 WeakPolarHBondContact O-CA 3.34Å; A173-L198 HydrophobicContact CB-CD1 4.14Å; P195-L198 HydrophobicContact CG-CB 4.36Å; L198-I553 HydrophobicContact CD2-CG1 4.15Å; L198-M556 HydrophobicContact CD1-CE 4.34Å; L198-M556 HydrophobicContact CD2-CE 4.34Å; L198-M556 HydrophobicContact CD2-SD 4.44Å; L198-P558 HydrophobicContact CB-CB 3.82Å; L198-P558 HydrophobicContact CB-CG 4.21Å; L198-P558 HydrophobicContact CD2-CG 4.18Å; L198-Q560 PolarHBondContact N-O 2.61Å; L198-L561 HydrophobicContact CB-CD1 3.95Å; L198-L561 HydrophobicContact CD2-CD1 3.84Å; L198-L561 HydrophobicContact CG-CD1 3.88Å; L198-L561 CarbonylContact O-C 3.6Å; L198-L561 WeakPolarHBondContact O-CA 3.14Å; L198-I562 PolarHBondContact O-N 3.11Å
199I96Very high87.5Confident0 Ų040 Ų400%021%0.206CC..EExtended strand (participates in β ladder)trans-106118.5170.3-55.9167.9000106.7L7 L23 L32 V171 Y172 A173 L197 I562 V564L7-I199 HydrophobicContact CD1-CD1 3.96Å; L7-I199 HydrophobicContact CD2-CD1 4.08Å; L7-I199 HydrophobicContact CD2-CG1 4.39Å; L7-I199 HydrophobicContact CD2-CG2 4.4Å; L23-I199 HydrophobicContact CD1-CD1 4.46Å; L32-I199 HydrophobicContact CD1-CD1 4.1Å; V171-I199 PolarHBondContact O-N 3.03Å; Y172-I199 HydrophobicContact CD2-CB 3.94Å; Y172-I199 HydrophobicContact CD2-CD1 4.41Å; Y172-I199 HydrophobicContact CD2-CG2 3.74Å; Y172-I199 HydrophobicContact CE2-CG2 4.05Å; A173-I199 PolarHBondContact N-O 3.43Å; L197-I199 HydrophobicContact CD1-CG1 4.43Å; L197-I199 HydrophobicContact CD2-CD1 4.28Å; L197-I199 HydrophobicContact CD2-CG1 4.24Å; L197-I199 HydrophobicContact CG-CG1 4.15Å; I199-I562 WeakPolarHBondContact CA-O 3.47Å; I199-I562 HydrophobicContact CG1-CB 4.37Å; I199-I562 HydrophobicContact CG1-CD1 4.47Å; I199-V564 HydrophobicContact CG2-CG1 3.9Å; I199-V564 HydrophobicContact CG2-CG2 3.87Å
200T94.8Very high88Confident1 Ų141.7 Ų41.71%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-138.2154.4-174.5-168.70000111.9A173 I553 L561 I562 V564A173-T200 WeakPolarHBondContact O-CA 3.29Å; A173-T200 PolarHBondContact O-OG1 3.46Å; T200-I553 HydrophobicContact CG2-CD1 4.03Å; T200-L561 HydrophobicContact CG2-CD1 3.71Å; T200-I562 PolarHBondContact N-O 2.86Å; T200-V564 WeakPolarHBondContact O-CG2 3.26Å; T200-V564 PolarHBondContact O-N 3.38Å
201D93.4Very high89Confident7 Ų743.6 Ų43.64%0.03722%0.218CC..EExtended strand (participates in β ladder)trans-78161.3172.568.6-67.9000112.8D175 I549 V564 H565D175-D201 PolarHBondContact N-OD1 3.43Å; D201-I549 VanDerWaalsContact O-CD1 3.25Å; D201-I549 WeakPolarHBondContact O-CD1 3.45Å; D201-V564 CarbonylContact C-O 3.59Å; D201-V564 VanDerWaalsContact CA-O 3.22Å; D201-V564 WeakPolarHBondContact CA-O 3.42Å; D201-H565 HydrophobicContact CB-CB 4.02Å
202S92.8Very high89.8Confident0 Ų040.9 Ų40.90%020%0.199CC..  trans-124.311.9172.5600000114.1N204 A205 I563 V564 H565 A570 S571S202-N204 VanDerWaalsContact C-N 3.27Å; S202-N204 PolarHBondContact O-N 3.11Å; S202-N204 VanDerWaalsContact O-N 3.16Å; S202-A205 WeakPolarHBondContact O-CB 3.17Å; S202-A205 PolarHBondContact O-N 3.45Å; S202-I563 VanDerWaalsContact CB-CG2 3.49Å; S202-I563 WeakPolarHBondContact OG-CG2 3.41Å; S202-V564 PolarHBondContact N-O 2.85Å; S202-H565 CarbonylContact C-O 3.57Å; S202-H565 WeakPolarHBondContact CA-O 3.27Å; S202-H565 PolarHBondContact N-O 3.09Å; S202-H565 PolarHBondContact OG-O 2.94Å; S202-A570 WeakPolarHBondContact O-CB 3.41Å; S202-S571 WeakPolarHBondContact OG-CA 3.2Å; S202-S571 WeakPolarHBondContact OG-CB 3.48Å; S202-S571 PolarHBondContact OG-OG 3.33Å
203F91.6Very high90.5Very high6 Ų647.3 Ų47.33%0.02623%0.227CC..THydrogen-bonded Turntrans-52.4-42.4-173.7-174.2-99.5000113.3E16 R358 H565E16-F203 HydrophobicContact CB-CD2 4.24Å; E16-F203 HydrophobicContact CB-CE2 3.72Å; E16-F203 HydrophobicContact CG-CD2 3.75Å; E16-F203 HydrophobicContact CG-CE2 3.41Å; E16-F203 VanDerWaalsContact CG-CE2 3.41Å; F203-R358 HydrophobicContact CZ-CB 4.37Å; F203-R358 HydrophobicContact CZ-CG 4.46Å; F203-H565 AromaticContact CD2-NE2 3.55Å; F203-H565 AromaticContact CG-NE2 3.99Å; F203-H565 PolarHBondContact N-O 2.99Å
204N92.4Very high91.3Very high3 Ų348.9 Ų48.92%0.01623%0.225CC..THydrogen-bonded Turntrans-107.417.8179.5-83.8-16.2000114.1S202 T206 Y207 R358 E541 S544 G546S202-N204 VanDerWaalsContact C-N 3.27Å; S202-N204 PolarHBondContact O-N 3.11Å; S202-N204 VanDerWaalsContact O-N 3.16Å; N204-T206 VanDerWaalsContact C-N 3.26Å; N204-T206 PolarHBondContact O-N 3.42Å; N204-Y207 PolarHBondContact O-N 2.88Å; N204-R358 PolarHBondContact OD1-NH1 2.87Å; N204-R358 PolarHBondContact OD1-NH2 3.25Å; N204-E541 PolarHBondContact ND2-OE1 3.23Å; N204-S544 WeakPolarHBondContact CB-O 3.38Å; N204-G546 WeakPolarHBondContact O-CA 3.39Å; N204-G546 PolarHBondContact O-N 2.81Å; N204-G546 VanDerWaalsContact O-N 3.08Å
205A90.8Very high91.7Very high1 Ų143.8 Ų43.81%0.00821%0.206CC..THydrogen-bonded Turntrans-61.6-31.7-174.900000114.1S202 G546 K550 A570 L574S202-A205 WeakPolarHBondContact O-CB 3.17Å; S202-A205 PolarHBondContact O-N 3.45Å; A205-G546 WeakPolarHBondContact O-CA 3.33Å; A205-K550 WeakPolarHBondContact O-CE 3.48Å; A205-K550 PolarHBondContact O-NZ 2.55Å; A205-A570 HydrophobicContact CB-CB 4.21Å; A205-L574 HydrophobicContact CB-CB 3.87Å; A205-L574 HydrophobicContact CB-CD1 4.48Å; A205-L574 HydrophobicContact CB-CD2 4.36Å; A205-L574 HydrophobicContact CB-CG 4.46Å
206T92Very high91.9Very high82 Ų8245.2 Ų45.250%0.50321%0.214SC..THydrogen-bonded Turntrans-99.7-5.9175.4540000113N204 A570 D573N204-T206 VanDerWaalsContact C-N 3.26Å; N204-T206 PolarHBondContact O-N 3.42Å; T206-A570 HydrophobicContact CG2-CB 4.07Å; T206-D573 HydrophobicContact CG2-CB 3.83Å
207Y91.6Very high92Very high57 Ų5749.7 Ų49.722%0.22423%0.234CC..  trans-81.7125.7-174.1-174.1-111.4000111.8N204 Q209 G546N204-Y207 PolarHBondContact O-N 2.88Å; Y207-Q209 HydrophobicContact CD1-CB 4.22Å; Y207-Q209 HydrophobicContact CE1-CB 3.97Å; Y207-Q209 HydrophobicContact CE1-CG 4.12Å; Y207-G546 PolarHBondContact O-N 2.76Å
208V89.7Confident92.1Very high119 Ų11953.2 Ų53.272%0.72125%0.25SS*.  trans-97.2102.8175-177.70000109.2
209Q88.8Confident92.1Very high27 Ų2753.1 Ų53.113%0.12625%0.25CC..PPolyproline II helixtrans-77.6132.6-176.5-165.8174.847.800112.1Y207 R215 D539 D545Y207-Q209 HydrophobicContact CD1-CB 4.22Å; Y207-Q209 HydrophobicContact CE1-CB 3.97Å; Y207-Q209 HydrophobicContact CE1-CG 4.12Å; Q209-R215 VanDerWaalsContact NE2-NH1 3.13Å; Q209-D539 VanDerWaalsContact CG-OD2 3.23Å; Q209-D539 WeakPolarHBondContact CG-OD2 3.44Å; Q209-D539 PolarHBondContact NE2-OD2 3.08Å; Q209-D545 HydrophobicContact CB-CB 3.82Å
210P90.1Very high91.9Very high42 Ų4255.4 Ų55.427%0.27326%0.262SS..PPolyproline II helixtrans-65.5157.3171.726.2-32.3000111.6R212 R215P210-R212 PolarHBondContact O-N 3.08Å; P210-R215 HydrophobicContact CG-CG 4.01Å
211R90.2Very high91.9Very high207 Ų20759.4 Ų59.478%0.78129%0.286SS*.PPolyproline II helixtrans-65.8135.6179.2-68.2-177.8177.8177.90110.3K213 Q214 R215R211-K213 VanDerWaalsContact C-N 3.28Å; R211-K213 PolarHBondContact O-N 3.15Å; R211-K213 VanDerWaalsContact O-N 3.13Å; R211-Q214 HydrophobicContact CB-CB 4.45Å; R211-Q214 WeakPolarHBondContact O-CA 3.49Å; R211-Q214 WeakPolarHBondContact O-CB 3.35Å; R211-Q214 PolarHBondContact O-N 3.12Å; R211-R215 PolarHBondContact O-N 2.97Å
212R89.4Confident92Very high86 Ų8659.6 Ų59.633%0.32529%0.287SS..Hα-helixtrans-45.5-48.2178.6-175.7170177.6-80.2-31.5113.6I182 P210 Q214 R215 D216 E245I182-R212 VanDerWaalsContact CD1-NH2 3.28Å; P210-R212 PolarHBondContact O-N 3.08Å; R212-Q214 PolarHBondContact O-N 3.16Å; R212-R215 CarbonylContact O-C 3.57Å; R212-R215 WeakPolarHBondContact O-CA 3.5Å; R212-R215 VanDerWaalsContact O-CB 3.27Å; R212-R215 WeakPolarHBondContact O-CB 3.18Å; R212-R215 PolarHBondContact O-N 3.22Å; R212-R215 VanDerWaalsContact O-N 3.1Å; R212-D216 IonicContact CZ-OD2 3.17Å; R212-D216 IonicContact NH2-OD2 2.67Å; R212-D216 VanDerWaalsContact O-CG 3.24Å; R212-D216 PolarHBondContact O-N 3.4Å; R212-E245 IonicContact NE-OE1 3.81Å; R212-E245 IonicContact NH2-OE1 2.63Å; R212-E245 PolarHBondContact NH2-OE1 3.43Å
213K90.6Very high92.1Very high149 Ų14959.6 Ų59.665%0.64829%0.287SS*.Hα-helixtrans-58.5-43.6178.1-174.4-179.1176.5-170.60113.2R211 R215 D216 E217R211-K213 VanDerWaalsContact C-N 3.28Å; R211-K213 PolarHBondContact O-N 3.15Å; R211-K213 VanDerWaalsContact O-N 3.13Å; K213-R215 VanDerWaalsContact C-N 3.28Å; K213-R215 PolarHBondContact O-N 3.16Å; K213-D216 PolarHBondContact O-N 2.94Å; K213-E217 WeakPolarHBondContact CE-OE1 3.44Å; K213-E217 IonicContact NZ-OE1 2.79Å; K213-E217 WeakPolarHBondContact O-CG 3.39Å; K213-E217 PolarHBondContact O-N 3.3Å
214Q92.4Very high92.2Very high114 Ų11460.7 Ų60.753%0.53329%0.293SS..Hα-helixtrans-65.9-37.5178-176.2-178.510.900110.8R211 R212 E217 Q218R211-Q214 HydrophobicContact CB-CB 4.45Å; R211-Q214 WeakPolarHBondContact O-CA 3.49Å; R211-Q214 WeakPolarHBondContact O-CB 3.35Å; R211-Q214 PolarHBondContact O-N 3.12Å; R212-Q214 PolarHBondContact O-N 3.16Å; Q214-E217 PolarHBondContact O-N 3.17Å; Q214-Q218 WeakPolarHBondContact O-CG 3.49Å; Q214-Q218 PolarHBondContact O-N 3.26Å
215R93Very high92.3Very high7 Ų766 Ų663%0.02632%0.318CS..Hα-helixtrans-65.3-41.6176.4-123.4174.351.4173.74.5113Q209 P210 R211 R212 K213 Q218 L219 I538 D539 Y540Q209-R215 VanDerWaalsContact NE2-NH1 3.13Å; P210-R215 HydrophobicContact CG-CG 4.01Å; R211-R215 PolarHBondContact O-N 2.97Å; R212-R215 CarbonylContact O-C 3.57Å; R212-R215 WeakPolarHBondContact O-CA 3.5Å; R212-R215 VanDerWaalsContact O-CB 3.27Å; R212-R215 WeakPolarHBondContact O-CB 3.18Å; R212-R215 PolarHBondContact O-N 3.22Å; R212-R215 VanDerWaalsContact O-N 3.1Å; K213-R215 VanDerWaalsContact C-N 3.28Å; K213-R215 PolarHBondContact O-N 3.16Å; R215-Q218 WeakPolarHBondContact O-CG 3.36Å; R215-L219 PolarHBondContact O-N 3.29Å; R215-L219 VanDerWaalsContact O-N 3.07Å; R215-I538 HydrophobicContact CG-CG2 3.93Å; R215-D539 WeakPolarHBondContact CD-O 3.45Å; R215-D539 IonicContact CZ-OD2 3.21Å; R215-D539 PolarHBondContact NE-O 3.27Å; R215-D539 PolarHBondContact NH1-O 2.93Å; R215-D539 IonicContact NH1-OD1 2.82Å; R215-D539 PolarHBondContact NH1-OD1 3.07Å; R215-D539 IonicContact NH1-OD2 2.76Å; R215-D539 PolarHBondContact NH1-OD2 3.07Å; R215-D539 PolarHBondContact NH2-O 3.26Å; R215-Y540 PolarHBondContact O-OH 3.2Å
216D92.7Very high92.5Very high29 Ų2966.4 Ų66.416%0.15532%0.32CS..Hα-helixtrans-66.4-39.6174.9-62.1-22000111R212 K213 L219 L220 Y540R212-D216 IonicContact CZ-OD2 3.17Å; R212-D216 IonicContact NH2-OD2 2.67Å; R212-D216 VanDerWaalsContact O-CG 3.24Å; R212-D216 PolarHBondContact O-N 3.4Å; K213-D216 PolarHBondContact O-N 2.94Å; D216-L219 PolarHBondContact O-N 2.91Å; D216-L220 WeakPolarHBondContact O-CB 3.48Å; D216-L220 PolarHBondContact O-N 3.33Å; D216-Y540 VanDerWaalsContact CA-OH 3.29Å; D216-Y540 WeakPolarHBondContact CA-OH 3.27Å; D216-Y540 PolarHBondContact N-OH 2.67Å; D216-Y540 PolarHBondContact OD1-OH 3.38Å
217E92.3Very high92.6Very high102 Ų10262.6 Ų62.648%0.47730%0.297SS..Hα-helixtrans-65.3-42.7176.3-75.7171.5-174.400112.5K213 Q214 T221K213-E217 WeakPolarHBondContact CE-OE1 3.44Å; K213-E217 IonicContact NZ-OE1 2.79Å; K213-E217 WeakPolarHBondContact O-CG 3.39Å; K213-E217 PolarHBondContact O-N 3.3Å; Q214-E217 PolarHBondContact O-N 3.17Å; E217-T221 VanDerWaalsContact O-CB 3.31Å; E217-T221 WeakPolarHBondContact O-CB 3.34Å; E217-T221 PolarHBondContact O-N 3.37Å; E217-T221 PolarHBondContact O-OG1 3.22Å
218Q94.4Very high92.7Very high74 Ų7468.4 Ų68.435%0.34632%0.318SS..Hα-helixtrans-67.6-38.4176.463-1795.200112.3Q214 R215 T221 N222 I538Q214-Q218 WeakPolarHBondContact O-CG 3.49Å; Q214-Q218 PolarHBondContact O-N 3.26Å; R215-Q218 WeakPolarHBondContact O-CG 3.36Å; Q218-T221 PolarHBondContact O-N 3.01Å; Q218-N222 VanDerWaalsContact O-CB 3.32Å; Q218-N222 WeakPolarHBondContact O-CB 3.4Å; Q218-N222 PolarHBondContact O-N 2.92Å; Q218-I538 HydrophobicContact CG-CD1 4.15Å; Q218-I538 HydrophobicContact CG-CG1 4.38Å; Q218-I538 HydrophobicContact CG-CG2 4.28Å; Q218-I538 VanDerWaalsContact NE2-CG2 3.27Å
219L95Very high92.9Very high2 Ų264.7 Ų64.71%0.0130%0.304CS..Hα-helixtrans-61-50.7175.7176.964.8000109.9R215 D216 T221 N222 V223 I235 L246 L249 L250 I354 I538 Y540R215-L219 PolarHBondContact O-N 3.29Å; R215-L219 VanDerWaalsContact O-N 3.07Å; D216-L219 PolarHBondContact O-N 2.91Å; L219-T221 VanDerWaalsContact C-N 3.33Å; L219-T221 PolarHBondContact O-N 3.19Å; L219-N222 PolarHBondContact O-N 3.45Å; L219-V223 HydrophobicContact CD1-CG2 4.21Å; L219-V223 WeakPolarHBondContact O-CB 3.46Å; L219-V223 VanDerWaalsContact O-CG2 3.24Å; L219-V223 WeakPolarHBondContact O-CG2 3.39Å; L219-V223 PolarHBondContact O-N 3.26Å; L219-I235 HydrophobicContact CD1-CD1 4.41Å; L219-L246 HydrophobicContact CD2-CD2 3.86Å; L219-L249 HydrophobicContact CD2-CD2 3.95Å; L219-L250 HydrophobicContact CD2-CD2 4.48Å; L219-I354 HydrophobicContact CD1-CD1 3.73Å; L219-I354 HydrophobicContact CD1-CG2 4.1Å; L219-I538 HydrophobicContact CB-CD1 4.12Å; L219-I538 HydrophobicContact CD1-CD1 4.1Å; L219-Y540 HydrophobicContact CB-CE2 4.23Å; L219-Y540 HydrophobicContact CD2-CE2 3.72Å; L219-Y540 HydrophobicContact CG-CE2 4.43Å
220L93.1Very high93.2Very high48 Ų4868.3 Ų68.325%0.25132%0.324SS..Hα-helixtrans-61.8-41.6179.5-178.656.5000112.3D216 L224 I253 L261D216-L220 WeakPolarHBondContact O-CB 3.48Å; D216-L220 PolarHBondContact O-N 3.33Å; L220-L224 HydrophobicContact CD1-CD1 3.76Å; L220-L224 HydrophobicContact CD1-CG 3.96Å; L220-L224 HydrophobicContact CG-CD1 3.79Å; L220-L224 HydrophobicContact CG-CG 4.41Å; L220-L224 VanDerWaalsContact O-CB 3.29Å; L220-L224 WeakPolarHBondContact O-CB 2.94Å; L220-L224 WeakPolarHBondContact O-CG 3.35Å; L220-L224 PolarHBondContact O-N 3.02Å; L220-I253 HydrophobicContact CD1-CD1 4.46Å; L220-I253 HydrophobicContact CD1-CG2 3.71Å; L220-I253 HydrophobicContact CD2-CG2 4.45Å; L220-L261 HydrophobicContact CD1-CD1 3.85Å
221T93.9Very high93.4Very high86 Ų8666.3 Ų66.353%0.52831%0.311SS..Hα-helixtrans-63.4-46.8178.2-58.50000111E217 Q218 L219 L224 E225E217-T221 VanDerWaalsContact O-CB 3.31Å; E217-T221 WeakPolarHBondContact O-CB 3.34Å; E217-T221 PolarHBondContact O-N 3.37Å; E217-T221 PolarHBondContact O-OG1 3.22Å; Q218-T221 PolarHBondContact O-N 3.01Å; L219-T221 VanDerWaalsContact C-N 3.33Å; L219-T221 PolarHBondContact O-N 3.19Å; T221-L224 PolarHBondContact O-N 3.23Å; T221-E225 VanDerWaalsContact O-CB 3.28Å; T221-E225 WeakPolarHBondContact O-CB 3.47Å; T221-E225 PolarHBondContact O-N 2.92Å
222N95.2Very high93.7Very high11 Ų1157.6 Ų57.66%0.05928%0.28CS..Hα-helixtrans-59.9-49.5178.3-171.4-19000110.7Q218 L219 E225 T226 S352 I354 R534 T536Q218-N222 VanDerWaalsContact O-CB 3.32Å; Q218-N222 WeakPolarHBondContact O-CB 3.4Å; Q218-N222 PolarHBondContact O-N 2.92Å; L219-N222 PolarHBondContact O-N 3.45Å; N222-E225 PolarHBondContact O-N 3.23Å; N222-T226 WeakPolarHBondContact O-CB 3.25Å; N222-T226 PolarHBondContact O-N 2.85Å; N222-T226 VanDerWaalsContact O-N 3.1Å; N222-T226 PolarHBondContact O-OG1 2.91Å; N222-S352 PolarHBondContact OD1-OG 3.12Å; N222-I354 HydrophobicContact CB-CD1 4.27Å; N222-R534 PolarHBondContact O-NH2 3.05Å; N222-R534 VanDerWaalsContact O-NH2 3.08Å; N222-R534 VanDerWaalsContact OD1-CZ 3.31Å; N222-R534 PolarHBondContact OD1-NE 3.31Å; N222-R534 PolarHBondContact OD1-NH2 2.99Å; N222-T536 PolarHBondContact ND2-OG1 3.15Å
223V95Very high94.1Very high0 Ų053.5 Ų53.50%026%0.264CS..Hα-helixtrans-60.1-49.3178.7170.40000111.8L219 E225 T226 L227 V233 W254 V325 I354L219-V223 HydrophobicContact CD1-CG2 4.21Å; L219-V223 WeakPolarHBondContact O-CB 3.46Å; L219-V223 VanDerWaalsContact O-CG2 3.24Å; L219-V223 WeakPolarHBondContact O-CG2 3.39Å; L219-V223 PolarHBondContact O-N 3.26Å; V223-E225 PolarHBondContact O-N 3.36Å; V223-T226 PolarHBondContact O-N 2.97Å; V223-L227 HydrophobicContact CG1-CD1 3.68Å; V223-L227 HydrophobicContact CG1-CG 4.35Å; V223-L227 WeakPolarHBondContact O-CB 3.45Å; V223-L227 VanDerWaalsContact O-CG 3.25Å; V223-L227 WeakPolarHBondContact O-CG 3.45Å; V223-L227 PolarHBondContact O-N 2.88Å; V223-V233 HydrophobicContact CG2-CG1 4.28Å; V223-W254 HydrophobicContact CG1-CH2 3.83Å; V223-W254 HydrophobicContact CG1-CZ3 4.49Å; V223-V325 HydrophobicContact CG1-CG2 3.83Å; V223-I354 HydrophobicContact CG2-CD1 4.02Å
224L93.1Very high94.5Very high28 Ų2846.4 Ų46.415%0.14723%0.234CC..Hα-helixtrans-64.1-41.8-178.6-81.5170.2000112.8L220 T221 R228 L261L220-L224 HydrophobicContact CD1-CD1 3.76Å; L220-L224 HydrophobicContact CD1-CG 3.96Å; L220-L224 HydrophobicContact CG-CD1 3.79Å; L220-L224 HydrophobicContact CG-CG 4.41Å; L220-L224 VanDerWaalsContact O-CB 3.29Å; L220-L224 WeakPolarHBondContact O-CB 2.94Å; L220-L224 WeakPolarHBondContact O-CG 3.35Å; L220-L224 PolarHBondContact O-N 3.02Å; T221-L224 PolarHBondContact O-N 3.23Å; L224-R228 VanDerWaalsContact O-CB 3.31Å; L224-R228 WeakPolarHBondContact O-CB 3.4Å; L224-R228 WeakPolarHBondContact O-CG 3.32Å; L224-R228 PolarHBondContact O-N 2.9Å; L224-L261 HydrophobicContact CD2-CD1 4.06Å; L224-L261 HydrophobicContact CD2-CD2 3.38Å; L224-L261 HydrophobicContact CD2-CG 3.69Å; L224-L261 HydrophobicContact CG-CD1 4.48Å; L224-L261 HydrophobicContact CG-CD2 4.25Å
225E94.6Very high94.7Very high115 Ų11541 Ų4154%0.53721%0.208SC..Hα-helixtrans-63.6-44.5179.2-173-178.7-173.200111T221 N222 V223 G229 R534T221-E225 VanDerWaalsContact O-CB 3.28Å; T221-E225 WeakPolarHBondContact O-CB 3.47Å; T221-E225 PolarHBondContact O-N 2.92Å; N222-E225 PolarHBondContact O-N 3.23Å; V223-E225 PolarHBondContact O-N 3.36Å; E225-G229 PolarHBondContact O-N 2.96Å; E225-G229 VanDerWaalsContact O-N 3.08Å; E225-R534 VanDerWaalsContact CD-NH1 3.31Å; E225-R534 IonicContact OE1-NH1 3.54Å; E225-R534 IonicContact OE2-CZ 3.56Å; E225-R534 IonicContact OE2-NH1 3.85Å; E225-R534 PolarHBondContact OE2-NH1 3.35Å; E225-R534 IonicContact OE2-NH2 3.8Å; E225-R534 PolarHBondContact OE2-NH2 3.14Å
226T95.8Very high94.9Very high9 Ų940.6 Ų40.66%0.05521%0.207CC..Hα-helixtrans-64.4-48177.7-61.20000112N222 V223 R228 G229 D230 G231 N232 V233 K350 S352 R534N222-T226 WeakPolarHBondContact O-CB 3.25Å; N222-T226 PolarHBondContact O-N 2.85Å; N222-T226 VanDerWaalsContact O-N 3.1Å; N222-T226 PolarHBondContact O-OG1 2.91Å; V223-T226 PolarHBondContact O-N 2.97Å; T226-R228 PolarHBondContact O-N 3.48Å; T226-G229 CarbonylContact O-C 3.54Å; T226-G229 WeakPolarHBondContact O-CA 3.21Å; T226-G229 PolarHBondContact O-N 2.83Å; T226-G229 VanDerWaalsContact O-N 3.09Å; T226-D230 PolarHBondContact O-N 3.35Å; T226-G231 PolarHBondContact O-N 3.19Å; T226-N232 WeakPolarHBondContact CG2-O 3.3Å; T226-V233 HydrophobicContact CG2-CG2 3.5Å; T226-K350 WeakPolarHBondContact CG2-O 3.31Å; T226-S352 WeakPolarHBondContact OG1-CB 3.05Å; T226-R534 PolarHBondContact OG1-NH2 3.16Å; T226-R534 VanDerWaalsContact OG1-NH2 3.16Å
227L94.3Very high95Very high2 Ų239.2 Ų39.21%0.0120%0.2CC..Hα-helixtrans-64.2-39.4179.8-68.7172.5000112.4V223 G229 D230 V233 W254 L261 Y264 P323 V325V223-L227 HydrophobicContact CG1-CD1 3.68Å; V223-L227 HydrophobicContact CG1-CG 4.35Å; V223-L227 WeakPolarHBondContact O-CB 3.45Å; V223-L227 VanDerWaalsContact O-CG 3.25Å; V223-L227 WeakPolarHBondContact O-CG 3.45Å; V223-L227 PolarHBondContact O-N 2.88Å; L227-G229 PolarHBondContact O-N 2.91Å; L227-D230 PolarHBondContact O-N 3.38Å; L227-D230 VanDerWaalsContact O-N 3.09Å; L227-V233 HydrophobicContact CG-CG2 4.5Å; L227-W254 HydrophobicContact CD1-CH2 4.42Å; L227-W254 HydrophobicContact CD1-CZ2 4.28Å; L227-L261 HydrophobicContact CD1-CD2 3.75Å; L227-Y264 HydrophobicContact CB-CD1 4.42Å; L227-Y264 HydrophobicContact CB-CD2 4.04Å; L227-Y264 HydrophobicContact CB-CE1 4.31Å; L227-Y264 HydrophobicContact CB-CE2 3.94Å; L227-Y264 HydrophobicContact CB-CG 4.26Å; L227-Y264 HydrophobicContact CD1-CD2 3.76Å; L227-Y264 HydrophobicContact CD1-CE2 4.4Å; L227-Y264 HydrophobicContact CD1-CG 3.97Å; L227-Y264 HydrophobicContact CD2-CG 4.34Å; L227-Y264 HydrophobicContact CG-CD2 4.43Å; L227-Y264 HydrophobicContact CG-CG 4.43Å; L227-P323 HydrophobicContact CD2-CB 3.91Å; L227-P323 HydrophobicContact CD2-CG 4.36Å; L227-V325 HydrophobicContact CD1-CG2 3.73Å; L227-V325 HydrophobicContact CD2-CG2 3.89Å; L227-V325 HydrophobicContact CG-CG2 4.13Å
228R92.8Very high95.2Very high180 Ų18034.8 Ų34.868%0.67918%0.179SC*.Hα-helixtrans-67.6-24.9175-73.7175.3-179.6174.52.6112.8L224 T226 D230L224-R228 VanDerWaalsContact O-CB 3.31Å; L224-R228 WeakPolarHBondContact O-CB 3.4Å; L224-R228 WeakPolarHBondContact O-CG 3.32Å; L224-R228 PolarHBondContact O-N 2.9Å; T226-R228 PolarHBondContact O-N 3.48Å; R228-D230 PolarHBondContact O-N 2.81Å
229G93.8Very high95.1Very high40 Ų4031.3 Ų31.341%0.41216%0.163SC..THydrogen-bonded Turntrans-79.25.5171.700000114.4E225 T226 L227 G231E225-G229 PolarHBondContact O-N 2.96Å; E225-G229 VanDerWaalsContact O-N 3.08Å; T226-G229 CarbonylContact O-C 3.54Å; T226-G229 WeakPolarHBondContact O-CA 3.21Å; T226-G229 PolarHBondContact O-N 2.83Å; T226-G229 VanDerWaalsContact O-N 3.09Å; L227-G229 PolarHBondContact O-N 2.91Å; G229-G231 PolarHBondContact O-N 2.95Å
230D94.7Very high95Very high104 Ų10431.2 Ų31.256%0.55616%0.162SC*.THydrogen-bonded Turntrans60.931.8-174.4-164.245.9000112.6T226 L227 R228T226-D230 PolarHBondContact O-N 3.35Å; L227-D230 PolarHBondContact O-N 3.38Å; L227-D230 VanDerWaalsContact O-N 3.09Å; R228-D230 PolarHBondContact O-N 2.81Å
231G95.5Very high95Very high0 Ų029 Ų290%015%0.151CC..  trans-105156176.400000112.6T226 G229 P323T226-G231 PolarHBondContact O-N 3.19Å; G229-G231 PolarHBondContact O-N 2.95Å; G231-P323 WeakPolarHBondContact O-CB 3.45Å
232N96.8Very high95Very high23 Ų2325 Ų2512%0.12313%0.126CC..  trans-89.7152172.5-57.9-55000110.8T226 K324 W345 N351 S352T226-N232 WeakPolarHBondContact CG2-O 3.3Å; N232-K324 WeakPolarHBondContact CA-O 3.32Å; N232-K324 PolarHBondContact OD1-N 3.02Å; N232-K324 VanDerWaalsContact OD1-N 3.12Å; N232-W345 HydrophobicContact CB-CD2 4.09Å; N232-W345 HydrophobicContact CB-CE3 3.84Å; N232-W345 HydrophobicContact CB-CH2 3.76Å; N232-W345 HydrophobicContact CB-CZ2 4.01Å; N232-W345 HydrophobicContact CB-CZ3 3.69Å; N232-N351 PolarHBondContact N-OD1 3.03Å; N232-N351 WeakPolarHBondContact O-CA 3.08Å; N232-S352 PolarHBondContact O-N 3Å
233V97.9Very high95Very high0 Ų024.5 Ų24.50%012%0.123CC..EExtended strand (participates in β ladder)trans-114.4120.2174.9-175.50000109.1V223 T226 L227 I235 K324 V325 V326 S352 I354V223-V233 HydrophobicContact CG2-CG1 4.28Å; T226-V233 HydrophobicContact CG2-CG2 3.5Å; L227-V233 HydrophobicContact CG-CG2 4.5Å; V233-I235 HydrophobicContact CG1-CD1 4.4Å; V233-I235 HydrophobicContact CG1-CG1 3.88Å; V233-K324 PolarHBondContact N-O 3.01Å; V233-V325 HydrophobicContact CB-CB 4.41Å; V233-V325 HydrophobicContact CB-CG1 4.19Å; V233-V325 HydrophobicContact CB-CG2 4.1Å; V233-V325 HydrophobicContact CG1-CG1 4.39Å; V233-V325 HydrophobicContact CG2-CG2 4.23Å; V233-V325 WeakPolarHBondContact O-CA 3.23Å; V233-V326 PolarHBondContact O-N 2.82Å; V233-S352 WeakPolarHBondContact CA-O 3.28Å; V233-I354 HydrophobicContact CG1-CD1 3.73Å; V233-I354 HydrophobicContact CG1-CG1 4.08Å
234L97.8Very high95.1Very high0 Ų024.7 Ų24.70%012%0.124CC..EExtended strand (participates in β ladder)trans-93.4129.2165.8174.462000108.5A328 L341 F342 W345 S352 I353 I354L234-A328 HydrophobicContact CD1-CB 3.66Å; L234-L341 HydrophobicContact CD1-CB 3.94Å; L234-L341 HydrophobicContact CD1-CD1 3.94Å; L234-L341 HydrophobicContact CD2-CB 4.05Å; L234-F342 HydrophobicContact CD2-CB 3.99Å; L234-W345 HydrophobicContact CB-CE3 3.86Å; L234-W345 HydrophobicContact CB-CZ3 3.98Å; L234-S352 PolarHBondContact N-O 2.89Å; L234-I353 HydrophobicContact CB-CG1 4.31Å; L234-I353 HydrophobicContact CD2-CG1 4.4Å; L234-I353 HydrophobicContact CD2-CG2 4.33Å; L234-I353 CarbonylContact O-C 3.57Å; L234-I353 WeakPolarHBondContact O-CA 3.29Å; L234-I354 PolarHBondContact O-N 3.31Å
235I97.8Very high95.1Very high0 Ų023.4 Ų23.40%012%0.117CC..EExtended strand (participates in β ladder)trans-118.6110.8170.8-49.9-174.2000107L219 V233 V237 L246 L250 V325 V326 L327 A328 I354 T356L219-I235 HydrophobicContact CD1-CD1 4.41Å; V233-I235 HydrophobicContact CG1-CD1 4.4Å; V233-I235 HydrophobicContact CG1-CG1 3.88Å; I235-V237 HydrophobicContact CG2-CG1 3.74Å; I235-V237 PolarHBondContact O-N 2.93Å; I235-L246 HydrophobicContact CG2-CD1 4.39Å; I235-L250 HydrophobicContact CD1-CD1 4.04Å; I235-V325 HydrophobicContact CD1-CG1 3.8Å; I235-V325 HydrophobicContact CG1-CG1 4.25Å; I235-V326 PolarHBondContact N-O 2.75Å; I235-L327 HydrophobicContact CB-CD2 3.75Å; I235-L327 HydrophobicContact CD1-CD2 3.82Å; I235-L327 HydrophobicContact CG1-CD2 4.2Å; I235-L327 HydrophobicContact CG2-CD2 4Å; I235-A328 PolarHBondContact O-N 2.96Å; I235-I354 WeakPolarHBondContact CA-O 3.43Å; I235-I354 HydrophobicContact CG1-CB 4.25Å; I235-I354 HydrophobicContact CG1-CD1 4.45Å; I235-I354 HydrophobicContact CG2-CB 4.42Å; I235-T356 HydrophobicContact CG2-CG2 3.39Å
236A96.8Very high95.2Very high0 Ų017.9 Ų17.90%09%0.092CC..EExtended strand (participates in β ladder)trans-7811717700000108.7L333 S338 I354 L355 T356A236-L333 HydrophobicContact CB-CD2 4.36Å; A236-S338 WeakPolarHBondContact CB-OG 3.34Å; A236-I354 PolarHBondContact N-O 2.86Å; A236-L355 HydrophobicContact CB-CD2 3.91Å; A236-T356 PolarHBondContact O-OG1 2.83Å
237V95.6Very high95.1Very high0 Ų017.5 Ų17.50%09%0.089CC..EExtended strand (participates in β ladder)trans-134.9171.1-175.9-62.10000110.1I235 V243 L246 L327 A328 S329 Q330 T356I235-V237 HydrophobicContact CG2-CG1 3.74Å; I235-V237 PolarHBondContact O-N 2.93Å; V237-V243 HydrophobicContact CB-CB 4.28Å; V237-V243 HydrophobicContact CG2-CB 3.99Å; V237-V243 HydrophobicContact CG2-CG2 3.79Å; V237-L246 HydrophobicContact CG1-CD1 3.37Å; V237-L327 HydrophobicContact CG1-CD2 4.35Å; V237-L327 HydrophobicContact CG2-CB 4.06Å; V237-A328 WeakPolarHBondContact CG2-O 3.43Å; V237-A328 PolarHBondContact N-O 3.45Å; V237-S329 CarbonylContact O-C 3.46Å; V237-S329 WeakPolarHBondContact O-CA 3.17Å; V237-Q330 CarbonylContact O-C 3.56Å; V237-Q330 PolarHBondContact O-N 3.13Å; V237-T356 HydrophobicContact CG1-CG2 4.38Å
238D94.6Very high95.1Very high9 Ų918 Ų185%0.0489%0.091CC..  trans-79.4170.7172.669.8-40000112.2F97 G241 R242 V243F97-D238 HydrophobicContact CE1-CB 3.87Å; F97-D238 HydrophobicContact CZ-CB 3.99Å; F97-D238 WeakPolarHBondContact CZ-OD2 3.43Å; D238-G241 WeakPolarHBondContact OD2-CA 3.31Å; D238-G241 PolarHBondContact OD2-N 3.33Å; D238-R242 VanDerWaalsContact OD1-CA 3.3Å; D238-R242 WeakPolarHBondContact OD1-CA 3.34Å; D238-R242 VanDerWaalsContact OD1-CB 3.25Å; D238-R242 WeakPolarHBondContact OD1-CB 3.13Å; D238-R242 PolarHBondContact OD1-N 3Å; D238-R242 PolarHBondContact OD2-N 2.97Å; D238-V243 WeakPolarHBondContact O-CB 3.31Å; D238-V243 WeakPolarHBondContact O-CG1 3.23Å; D238-V243 PolarHBondContact OD1-N 2.92Å
239T93.4Very high95.1Very high1 Ų110 Ų101%0.0066%0.062CC..SBendtrans-74.5-42.6-173.1-56.30000113D100 V243 N270 V272 V276D100-T239 HydrophobicContact CB-CG2 3.44Å; D100-T239 VanDerWaalsContact CB-CG2 3.44Å; D100-T239 WeakPolarHBondContact OD2-CG2 3.37Å; D100-T239 PolarHBondContact OD2-OG1 3.24Å; T239-V243 WeakPolarHBondContact O-CG1 3.24Å; T239-N270 PolarHBondContact O-ND2 2.95Å; T239-V272 HydrophobicContact CG2-CG2 4.08Å; T239-V276 HydrophobicContact CG2-CG2 4.33Å
240A93.3Very high95.1Very high0 Ų08.2 Ų8.20%04%0.043CC..SBendtrans-145.20.2-167.800000116.4M93 M96 F97 L244 V276M93-A240 HydrophobicContact CB-CB 3.97Å; M93-A240 HydrophobicContact CG-CB 4.34Å; M93-A240 HydrophobicContact SD-CB 3.86Å; M96-A240 HydrophobicContact CB-CB 4.36Å; F97-A240 HydrophobicContact CD2-CB 3.98Å; F97-A240 HydrophobicContact CE2-CB 3.74Å; F97-A240 HydrophobicContact CZ-CB 4.4Å; A240-L244 WeakPolarHBondContact O-CD1 3.42Å; A240-V276 HydrophobicContact CB-CG1 3.96Å; A240-V276 HydrophobicContact CB-CG2 3.95Å
241G92.9Very high94.9Very high0 Ų03.2 Ų3.20%02%0.017CC..SBendtrans-100.6-91.7178.900000112.7D238 V243 L244D238-G241 WeakPolarHBondContact OD2-CA 3.31Å; D238-G241 PolarHBondContact OD2-N 3.33Å; G241-V243 VanDerWaalsContact C-N 3.26Å; G241-V243 PolarHBondContact O-N 2.67Å; G241-L244 WeakPolarHBondContact O-CB 3.19Å; G241-L244 PolarHBondContact O-N 2.91Å; G241-L244 VanDerWaalsContact O-N 3.13Å
242R94.1Very high94.6Very high4 Ų47.1 Ų7.12%0.0154%0.035CC..THydrogen-bonded Turntrans-64.3-25.4-176.3-54.8-55.5-55.9155.93.5113.4H153 M154 E181 D238 L244 E245 L246 Y540 E541H153-R242 WeakPolarHBondContact O-CD 3.27Å; H153-R242 PolarHBondContact O-NH1 3.45Å; M154-R242 HydrophobicContact CE-CG 4.37Å; E181-R242 IonicContact OE1-CZ 2.75Å; E181-R242 IonicContact OE1-NH1 3.78Å; E181-R242 IonicContact OE1-NH2 3.55Å; E181-R242 PolarHBondContact OE1-NH2 3.1Å; E181-R242 IonicContact OE2-CZ 2.76Å; E181-R242 IonicContact OE2-NH1 3.6Å; E181-R242 PolarHBondContact OE2-NH1 3.33Å; E181-R242 IonicContact OE2-NH2 2.7Å; E181-R242 PolarHBondContact OE2-NH2 3.43Å; D238-R242 VanDerWaalsContact OD1-CA 3.3Å; D238-R242 WeakPolarHBondContact OD1-CA 3.34Å; D238-R242 VanDerWaalsContact OD1-CB 3.25Å; D238-R242 WeakPolarHBondContact OD1-CB 3.13Å; D238-R242 PolarHBondContact OD1-N 3Å; D238-R242 PolarHBondContact OD2-N 2.97Å; R242-L244 PolarHBondContact O-N 2.8Å; R242-E245 WeakPolarHBondContact O-CB 3.44Å; R242-E245 PolarHBondContact O-N 2.59Å; R242-L246 PolarHBondContact O-N 3.02Å; R242-Y540 PolarHBondContact NE-O 3.09Å; R242-Y540 PolarHBondContact NH2-O 3.38Å; R242-Y540 VanDerWaalsContact NH2-O 3.09Å; R242-E541 VanDerWaalsContact CD-O 3.28Å; R242-E541 WeakPolarHBondContact CD-O 3.39Å; R242-E541 PolarHBondContact NE-O 2.96Å
243V95.7Very high94.3Very high0 Ų07.4 Ų7.40%04%0.036CC..Hα-helixtrans-55.8-31.5172.365.50000111.8V237 D238 T239 G241 L246 A247 L268 L327V237-V243 HydrophobicContact CB-CB 4.28Å; V237-V243 HydrophobicContact CG2-CB 3.99Å; V237-V243 HydrophobicContact CG2-CG2 3.79Å; D238-V243 WeakPolarHBondContact O-CB 3.31Å; D238-V243 WeakPolarHBondContact O-CG1 3.23Å; D238-V243 PolarHBondContact OD1-N 2.92Å; T239-V243 WeakPolarHBondContact O-CG1 3.24Å; G241-V243 VanDerWaalsContact C-N 3.26Å; G241-V243 PolarHBondContact O-N 2.67Å; V243-L246 PolarHBondContact O-N 3Å; V243-A247 WeakPolarHBondContact O-CB 3.43Å; V243-A247 PolarHBondContact O-N 2.84Å; V243-L268 HydrophobicContact CG2-CD1 3.46Å; V243-L268 VanDerWaalsContact CG2-CD1 3.46Å; V243-L268 HydrophobicContact CG2-CG 4.36Å; V243-L327 HydrophobicContact CG2-CD1 4.29Å
244L95.2Very high94Very high3 Ų37.7 Ų7.72%0.0164%0.037CC..Hα-helixtrans-66.9-37.1176.5-61.3-177.4000112M93 I155 A240 G241 R242 Q248 V276 F303M93-L244 HydrophobicContact CE-CD1 4.25Å; I155-L244 HydrophobicContact CB-CD1 4.42Å; I155-L244 HydrophobicContact CD1-CD1 4.28Å; I155-L244 HydrophobicContact CG2-CD1 4.02Å; A240-L244 WeakPolarHBondContact O-CD1 3.42Å; G241-L244 WeakPolarHBondContact O-CB 3.19Å; G241-L244 PolarHBondContact O-N 2.91Å; G241-L244 VanDerWaalsContact O-N 3.13Å; R242-L244 PolarHBondContact O-N 2.8Å; L244-Q248 WeakPolarHBondContact O-CB 3.24Å; L244-Q248 PolarHBondContact O-N 2.7Å; L244-Q248 VanDerWaalsContact O-N 3.12Å; L244-V276 HydrophobicContact CD2-CG1 4.18Å; L244-F303 HydrophobicContact CB-CE1 3.8Å; L244-F303 HydrophobicContact CB-CZ 4.28Å; L244-F303 HydrophobicContact CD2-CD1 4.15Å; L244-F303 HydrophobicContact CD2-CE1 3.83Å; L244-F303 HydrophobicContact CG-CE1 4.26Å
245E94.8Very high93.4Very high1 Ų112.6 Ų12.61%0.0056%0.056CC..Hα-helixtrans-66.5-46.3174.4-177.268.5-173.400110.7I182 H183 R212 R242 Q248 L249I182-E245 WeakPolarHBondContact CB-OE1 3.35Å; I182-E245 WeakPolarHBondContact CB-OE2 3.24Å; I182-E245 VanDerWaalsContact CG1-OE1 3.26Å; I182-E245 WeakPolarHBondContact CG1-OE1 3.46Å; I182-E245 PolarHBondContact N-OE1 3.45Å; I182-E245 PolarHBondContact N-OE2 3.46Å; I182-E245 VanDerWaalsContact N-OE2 3.16Å; H183-E245 IonicContact CE1-OE2 3.92Å; H183-E245 IonicContact CG-OE2 2.74Å; H183-E245 PolarHBondContact N-OE2 2.95Å; H183-E245 IonicContact ND1-OE2 3.28Å; H183-E245 PolarHBondContact ND1-OE2 2.78Å; R212-E245 IonicContact NE-OE1 3.81Å; R212-E245 IonicContact NH2-OE1 2.63Å; R212-E245 PolarHBondContact NH2-OE1 3.43Å; R242-E245 WeakPolarHBondContact O-CB 3.44Å; R242-E245 PolarHBondContact O-N 2.59Å; E245-Q248 PolarHBondContact O-N 3.1Å; E245-L249 VanDerWaalsContact O-CB 3.28Å; E245-L249 WeakPolarHBondContact O-CB 3.17Å; E245-L249 PolarHBondContact O-N 3.42Å
246L95.1Very high92.8Very high0 Ų016.3 Ų16.30%08%0.079CC..Hα-helixtrans-70.7-43.4-178-76.3167.3000112.6L219 I235 V237 R242 V243 Q248 L249 L250 T356 Y540L219-L246 HydrophobicContact CD2-CD2 3.86Å; I235-L246 HydrophobicContact CG2-CD1 4.39Å; V237-L246 HydrophobicContact CG1-CD1 3.37Å; R242-L246 PolarHBondContact O-N 3.02Å; V243-L246 PolarHBondContact O-N 3Å; L246-Q248 VanDerWaalsContact C-N 3.29Å; L246-Q248 PolarHBondContact O-N 3.46Å; L246-L249 PolarHBondContact O-N 3.49Å; L246-L250 WeakPolarHBondContact O-CB 3.43Å; L246-L250 VanDerWaalsContact O-CG 3.27Å; L246-L250 WeakPolarHBondContact O-CG 3.49Å; L246-L250 PolarHBondContact O-N 3.16Å; L246-T356 HydrophobicContact CD1-CG2 3.81Å; L246-Y540 HydrophobicContact CD2-CD1 3.99Å; L246-Y540 HydrophobicContact CD2-CD2 3.93Å; L246-Y540 HydrophobicContact CD2-CE1 4.17Å; L246-Y540 HydrophobicContact CD2-CE2 4.08Å; L246-Y540 HydrophobicContact CD2-CG 3.89Å; L246-Y540 HydrophobicContact CG-CG 4.45Å
247A95.1Very high91.5Very high1 Ų126 Ų261%0.00812%0.121CC..Hα-helixtrans-59.3-42.9174.700000110.9V243 D251 F305 L308 L327V243-A247 WeakPolarHBondContact O-CB 3.43Å; V243-A247 PolarHBondContact O-N 2.84Å; A247-D251 WeakPolarHBondContact O-CB 3.49Å; A247-D251 PolarHBondContact O-N 3.08Å; A247-F305 HydrophobicContact CB-CE1 4.23Å; A247-F305 HydrophobicContact CB-CE2 4.25Å; A247-F305 HydrophobicContact CB-CZ 3.73Å; A247-L308 HydrophobicContact CB-CD2 4.04Å; A247-L327 HydrophobicContact CB-CD1 4.01Å
248Q93.6Very high90.5Very high11 Ų1133.7 Ų33.75%0.05116%0.162CC..Hα-helixtrans-69.7-39.6178-173.863.1-7.300112.8I182 L244 E245 L246 Q252 P302I182-Q248 HydrophobicContact CG2-CG 3.7Å; L244-Q248 WeakPolarHBondContact O-CB 3.24Å; L244-Q248 PolarHBondContact O-N 2.7Å; L244-Q248 VanDerWaalsContact O-N 3.12Å; E245-Q248 PolarHBondContact O-N 3.1Å; L246-Q248 VanDerWaalsContact C-N 3.29Å; L246-Q248 PolarHBondContact O-N 3.46Å; Q248-Q252 WeakPolarHBondContact O-CB 3.48Å; Q248-Q252 WeakPolarHBondContact O-CG 3.12Å; Q248-Q252 PolarHBondContact O-N 2.97Å; Q248-P302 PolarHBondContact OE1-O 2.77Å
249L93Very high89.4Confident13 Ų1334.3 Ų34.37%0.06817%0.168CC..Hα-helixtrans-61.2-50.9174.2175.162000111.1I182 L219 E245 L246 Q252 I253 Y540I182-L249 HydrophobicContact CD1-CB 3.8Å; I182-L249 HydrophobicContact CD1-CD1 3.92Å; I182-L249 HydrophobicContact CD1-CG 4.42Å; L219-L249 HydrophobicContact CD2-CD2 3.95Å; E245-L249 VanDerWaalsContact O-CB 3.28Å; E245-L249 WeakPolarHBondContact O-CB 3.17Å; E245-L249 PolarHBondContact O-N 3.42Å; L246-L249 PolarHBondContact O-N 3.49Å; L249-Q252 PolarHBondContact O-N 3.09Å; L249-I253 HydrophobicContact CD1-CD1 3.88Å; L249-I253 HydrophobicContact CD1-CG1 4.49Å; L249-I253 HydrophobicContact CG-CD1 4.03Å; L249-I253 VanDerWaalsContact O-CG1 3.31Å; L249-I253 WeakPolarHBondContact O-CG1 3.39Å; L249-I253 PolarHBondContact O-N 3.37Å; L249-I253 VanDerWaalsContact O-N 3.11Å; L249-Y540 HydrophobicContact CD2-CE1 3.99Å
250L93.4Very high88.7Confident2 Ų236.5 Ų36.51%0.0119%0.191CC..Hα-helixtrans-67.8-44.4-176.8-66.6171.7000111.4L219 I235 L246 Q252 I253 W254 L266 L327L219-L250 HydrophobicContact CD2-CD2 4.48Å; I235-L250 HydrophobicContact CD1-CD1 4.04Å; L246-L250 WeakPolarHBondContact O-CB 3.43Å; L246-L250 VanDerWaalsContact O-CG 3.27Å; L246-L250 WeakPolarHBondContact O-CG 3.49Å; L246-L250 PolarHBondContact O-N 3.16Å; L250-Q252 VanDerWaalsContact C-N 3.29Å; L250-Q252 PolarHBondContact O-N 3.15Å; L250-I253 PolarHBondContact O-N 2.88Å; L250-I253 VanDerWaalsContact O-N 3.11Å; L250-W254 HydrophobicContact CB-CE3 4.32Å; L250-W254 HydrophobicContact CB-CZ3 4.26Å; L250-W254 HydrophobicContact CD2-CH2 4.49Å; L250-W254 HydrophobicContact CD2-CZ3 3.77Å; L250-W254 PolarHBondContact O-N 2.98Å; L250-L266 HydrophobicContact CB-CD1 4.36Å; L250-L266 HydrophobicContact CB-CD2 3.81Å; L250-L266 HydrophobicContact CD1-CD1 3.98Å; L250-L327 HydrophobicContact CD1-CD1 4.4Å; L250-L327 HydrophobicContact CD1-CD2 3.82Å; L250-L327 HydrophobicContact CD1-CG 4.42Å
251D91.9Very high88.1Confident0 Ų036.5 Ų36.50%019%0.191CC..Hα-helixtrans-63.8-34.6178.3-170.377000111.8A247 W254 R255 F305 R306 H307A247-D251 WeakPolarHBondContact O-CB 3.49Å; A247-D251 PolarHBondContact O-N 3.08Å; D251-W254 PolarHBondContact O-N 3Å; D251-R255 VanDerWaalsContact O-CG 3.24Å; D251-R255 WeakPolarHBondContact O-CG 3.26Å; D251-R255 PolarHBondContact O-N 3.48Å; D251-R255 VanDerWaalsContact O-N 3.07Å; D251-R255 IonicContact OD2-CZ 2.71Å; D251-R255 IonicContact OD2-NE 3.68Å; D251-R255 PolarHBondContact OD2-NE 2.71Å; D251-R255 IonicContact OD2-NH2 3.5Å; D251-R255 PolarHBondContact OD2-NH2 3.28Å; D251-F305 HydrophobicContact CB-CD1 3.7Å; D251-F305 HydrophobicContact CB-CE1 4.23Å; D251-R306 PolarHBondContact OD1-N 3.48Å; D251-H307 IonicContact OD1-CD2 2.78Å; D251-H307 PolarHBondContact OD1-N 3.3Å; D251-H307 VanDerWaalsContact OD1-N 3.08Å
252Q89.1Confident87.5Confident82 Ų8239.1 Ų39.138%0.38322%0.217SC..Hα-helixtrans-63.7-41.5172.3-75.8176.618.300112.6Q248 L249 L250 T256Q248-Q252 WeakPolarHBondContact O-CB 3.48Å; Q248-Q252 WeakPolarHBondContact O-CG 3.12Å; Q248-Q252 PolarHBondContact O-N 2.97Å; L249-Q252 PolarHBondContact O-N 3.09Å; L250-Q252 VanDerWaalsContact C-N 3.29Å; L250-Q252 PolarHBondContact O-N 3.15Å; Q252-T256 PolarHBondContact O-OG1 3.47Å; Q252-T256 VanDerWaalsContact O-OG1 3.13Å
253I89.3Confident87.2Confident29 Ų2945 Ų4515%0.14925%0.254CS..Hα-helixtrans-67-42.6176.8-68.2168.5000110.2L220 L249 L250 R255 T256 L261L220-I253 HydrophobicContact CD1-CD1 4.46Å; L220-I253 HydrophobicContact CD1-CG2 3.71Å; L220-I253 HydrophobicContact CD2-CG2 4.45Å; L249-I253 HydrophobicContact CD1-CD1 3.88Å; L249-I253 HydrophobicContact CD1-CG1 4.49Å; L249-I253 HydrophobicContact CG-CD1 4.03Å; L249-I253 VanDerWaalsContact O-CG1 3.31Å; L249-I253 WeakPolarHBondContact O-CG1 3.39Å; L249-I253 PolarHBondContact O-N 3.37Å; L249-I253 VanDerWaalsContact O-N 3.11Å; L250-I253 PolarHBondContact O-N 2.88Å; L250-I253 VanDerWaalsContact O-N 3.11Å; I253-R255 VanDerWaalsContact C-N 3.3Å; I253-R255 PolarHBondContact O-N 2.73Å; I253-T256 WeakPolarHBondContact O-CB 3.21Å; I253-T256 PolarHBondContact O-N 2.73Å; I253-L261 HydrophobicContact CG2-CD1 3.56Å
254W90.9Very high87.1Confident6 Ų647.7 Ų47.72%0.02326%0.264CS..Hα-helixtrans-63.1-33.6179-102.4-112.5000113.2V223 L227 L250 D251 T256 L261 Y264 L266 H307 V325V223-W254 HydrophobicContact CG1-CH2 3.83Å; V223-W254 HydrophobicContact CG1-CZ3 4.49Å; L227-W254 HydrophobicContact CD1-CH2 4.42Å; L227-W254 HydrophobicContact CD1-CZ2 4.28Å; L250-W254 HydrophobicContact CB-CE3 4.32Å; L250-W254 HydrophobicContact CB-CZ3 4.26Å; L250-W254 HydrophobicContact CD2-CH2 4.49Å; L250-W254 HydrophobicContact CD2-CZ3 3.77Å; L250-W254 PolarHBondContact O-N 2.98Å; D251-W254 PolarHBondContact O-N 3Å; W254-T256 PolarHBondContact O-N 3.36Å; W254-L261 HydrophobicContact CD2-CB 3.93Å; W254-L261 HydrophobicContact CD2-CD1 4.33Å; W254-L261 HydrophobicContact CE3-CB 4.29Å; W254-L261 HydrophobicContact CE3-CD1 3.84Å; W254-L261 HydrophobicContact CG-CB 4.23Å; W254-L261 HydrophobicContact CH2-CD1 4.2Å; W254-L261 HydrophobicContact CH2-CD2 4.06Å; W254-L261 HydrophobicContact CZ2-CB 4.39Å; W254-L261 HydrophobicContact CZ2-CD2 4.04Å; W254-L261 HydrophobicContact CZ3-CD1 3.77Å; W254-L261 HydrophobicContact CZ3-CD2 4.47Å; W254-L261 PolarHBondContact NE1-O 3.18Å; W254-Y264 PolarHBondContact NE1-O 3.05Å; W254-L266 HydrophobicContact CD2-CD2 4.45Å; W254-L266 HydrophobicContact CZ2-CB 4.44Å; W254-L266 HydrophobicContact CZ2-CD1 4.47Å; W254-H307 HydrophobicContact CB-CB 4Å; W254-H307 HydrophobicContact CG-CB 4.24Å; W254-V325 HydrophobicContact CH2-CG2 3.93Å; W254-V325 HydrophobicContact CZ2-CG2 4.02Å
255R86.6Confident87Confident103 Ų10348.6 Ų48.639%0.38927%0.271SS..Hα-helixtrans-66.4-22.9173.8-71.2169.6-169-158.71.5112.8D251 I253 K257 Q304D251-R255 VanDerWaalsContact O-CG 3.24Å; D251-R255 WeakPolarHBondContact O-CG 3.26Å; D251-R255 PolarHBondContact O-N 3.48Å; D251-R255 VanDerWaalsContact O-N 3.07Å; D251-R255 IonicContact OD2-CZ 2.71Å; D251-R255 IonicContact OD2-NE 3.68Å; D251-R255 PolarHBondContact OD2-NE 2.71Å; D251-R255 IonicContact OD2-NH2 3.5Å; D251-R255 PolarHBondContact OD2-NH2 3.28Å; I253-R255 VanDerWaalsContact C-N 3.3Å; I253-R255 PolarHBondContact O-N 2.73Å; R255-K257 PolarHBondContact O-N 3.35Å; R255-Q304 PolarHBondContact NH2-O 3.38Å
256T84.4Confident87Confident78 Ų7848.6 Ų48.648%0.47927%0.271SS..  trans-81.1108.7-175.6-56.50000110.2Q252 I253 W254 D258 A259Q252-T256 PolarHBondContact O-OG1 3.47Å; Q252-T256 VanDerWaalsContact O-OG1 3.13Å; I253-T256 WeakPolarHBondContact O-CB 3.21Å; I253-T256 PolarHBondContact O-N 2.73Å; W254-T256 PolarHBondContact O-N 3.36Å; T256-D258 HydrophobicContact CG2-CB 4.21Å; T256-D258 PolarHBondContact O-N 3.15Å; T256-D258 VanDerWaalsContact O-N 3.13Å; T256-A259 PolarHBondContact O-N 2.75Å; T256-A259 VanDerWaalsContact O-N 3.15Å
257K69.3Low87Confident203 Ų20348.6 Ų48.688%0.88327%0.271SS*.G310 helixtrans-58.7-27.7-175.7-67.7-170.4177.2-175.90114.4R255 A259 G260R255-K257 PolarHBondContact O-N 3.35Å; K257-A259 PolarHBondContact O-N 3.06Å; K257-G260 PolarHBondContact O-N 3Å
258D74.1Confident87.1Confident161 Ų16148.6 Ų48.686%0.86127%0.271SS*.G310 helixtrans-65-26.2-179.1-159.938.2000112.8T256T256-D258 HydrophobicContact CG2-CB 4.21Å; T256-D258 PolarHBondContact O-N 3.15Å; T256-D258 VanDerWaalsContact O-N 3.13Å
259A72.2Confident87.2Confident23 Ų2348.1 Ų48.119%0.1927%0.268CS..G310 helixtrans-77.5-19.618000000113.4T256 K257 L261T256-A259 PolarHBondContact O-N 2.75Å; T256-A259 VanDerWaalsContact O-N 3.15Å; K257-A259 PolarHBondContact O-N 3.06Å; A259-L261 HydrophobicContact CB-CB 4.41Å; A259-L261 HydrophobicContact CB-CD1 3.86Å; A259-L261 HydrophobicContact CB-CG 4.09Å; A259-L261 PolarHBondContact O-N 2.89Å; A259-L261 VanDerWaalsContact O-N 3.16Å
260G78.1Confident87.1Confident46 Ų4647.5 Ų47.547%0.47427%0.265SS..  trans64.113-176.400000114.9K257K257-G260 PolarHBondContact O-N 3Å
261L82.4Confident87.1Confident1 Ų148.5 Ų48.51%0.00527%0.27CS..G310 helixtrans-78.5-15-174.2-78.9166.9000114.4L220 L224 L227 I253 W254 A259 V263 Y264L220-L261 HydrophobicContact CD1-CD1 3.85Å; L224-L261 HydrophobicContact CD2-CD1 4.06Å; L224-L261 HydrophobicContact CD2-CD2 3.38Å; L224-L261 HydrophobicContact CD2-CG 3.69Å; L224-L261 HydrophobicContact CG-CD1 4.48Å; L224-L261 HydrophobicContact CG-CD2 4.25Å; L227-L261 HydrophobicContact CD1-CD2 3.75Å; I253-L261 HydrophobicContact CG2-CD1 3.56Å; W254-L261 HydrophobicContact CD2-CB 3.93Å; W254-L261 HydrophobicContact CD2-CD1 4.33Å; W254-L261 HydrophobicContact CE3-CB 4.29Å; W254-L261 HydrophobicContact CE3-CD1 3.84Å; W254-L261 HydrophobicContact CG-CB 4.23Å; W254-L261 HydrophobicContact CH2-CD1 4.2Å; W254-L261 HydrophobicContact CH2-CD2 4.06Å; W254-L261 HydrophobicContact CZ2-CB 4.39Å; W254-L261 HydrophobicContact CZ2-CD2 4.04Å; W254-L261 HydrophobicContact CZ3-CD1 3.77Å; W254-L261 HydrophobicContact CZ3-CD2 4.47Å; W254-L261 PolarHBondContact NE1-O 3.18Å; A259-L261 HydrophobicContact CB-CB 4.41Å; A259-L261 HydrophobicContact CB-CD1 3.86Å; A259-L261 HydrophobicContact CB-CG 4.09Å; A259-L261 PolarHBondContact O-N 2.89Å; A259-L261 VanDerWaalsContact O-N 3.16Å; L261-V263 PolarHBondContact O-N 3.08Å; L261-Y264 HydrophobicContact CD2-CD2 3.8Å; L261-Y264 HydrophobicContact CD2-CE2 4.36Å; L261-Y264 PolarHBondContact O-N 3.41Å
262G80.4Confident87.2Confident54 Ų5449.5 Ų49.556%0.55728%0.277SS*.G310 helixtrans-63.8-7.2-178.400000115.3
263V86.8Confident87.2Confident128 Ų12845.6 Ų45.678%0.77626%0.259SS*.G310 helixtrans-83.1-24.3172.5-177.90000111.7L261L261-V263 PolarHBondContact O-N 3.08Å
264Y92.8Very high87.4Confident56 Ų5650.2 Ų50.222%0.2228%0.275CS..SBendtrans-96.4143.9-176.8-55.6-59.1000111.8L227 W254 L261 P323L227-Y264 HydrophobicContact CB-CD1 4.42Å; L227-Y264 HydrophobicContact CB-CD2 4.04Å; L227-Y264 HydrophobicContact CB-CE1 4.31Å; L227-Y264 HydrophobicContact CB-CE2 3.94Å; L227-Y264 HydrophobicContact CB-CG 4.26Å; L227-Y264 HydrophobicContact CD1-CD2 3.76Å; L227-Y264 HydrophobicContact CD1-CE2 4.4Å; L227-Y264 HydrophobicContact CD1-CG 3.97Å; L227-Y264 HydrophobicContact CD2-CG 4.34Å; L227-Y264 HydrophobicContact CG-CD2 4.43Å; L227-Y264 HydrophobicContact CG-CG 4.43Å; W254-Y264 PolarHBondContact NE1-O 3.05Å; L261-Y264 HydrophobicContact CD2-CD2 3.8Å; L261-Y264 HydrophobicContact CD2-CE2 4.36Å; L261-Y264 PolarHBondContact O-N 3.41Å; Y264-P323 HydrophobicContact CD1-CG 3.51Å; Y264-P323 HydrophobicContact CE1-CG 3.51Å
265S93.3Very high87.6Confident22 Ų2253.1 Ų53.115%0.15429%0.291CS..EExtended strand (participates in β ladder)trans-80.2138.7-178.4-46.10000111.3V320 P321 K324 V325S265-V320 WeakPolarHBondContact OG-CG1 3.41Å; S265-P321 PolarHBondContact OG-O 3.23Å; S265-K324 WeakPolarHBondContact O-CA 3.36Å; S265-V325 PolarHBondContact O-N 3.48Å
266L94.9Very high88Confident1 Ų148.2 Ų48.21%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-116.9127.9171.4-176.866.4000108.1L250 W254 L308 S309 V325L250-L266 HydrophobicContact CB-CD1 4.36Å; L250-L266 HydrophobicContact CB-CD2 3.81Å; L250-L266 HydrophobicContact CD1-CD1 3.98Å; W254-L266 HydrophobicContact CD2-CD2 4.45Å; W254-L266 HydrophobicContact CZ2-CB 4.44Å; W254-L266 HydrophobicContact CZ2-CD1 4.47Å; L266-L308 HydrophobicContact CB-CD1 4.43Å; L266-L308 HydrophobicContact CD1-CD1 4.48Å; L266-L308 HydrophobicContact CD2-CD1 3.77Å; L266-L308 HydrophobicContact CG-CD1 3.54Å; L266-S309 PolarHBondContact O-N 2.82Å; L266-V325 WeakPolarHBondContact CA-O 3.39Å; L266-V325 HydrophobicContact CD1-CB 3.7Å; L266-V325 HydrophobicContact CD1-CG1 3.72Å
267A96.3Very high88.4Confident0 Ų044.7 Ų44.70%025%0.251CS..EExtended strand (participates in β ladder)trans-129.7148.3-178.100000112.1S309 L317 V325 V326 L327A267-S309 CarbonylContact C-O 3.42Å; A267-S309 WeakPolarHBondContact CA-O 3.25Å; A267-L317 HydrophobicContact CB-CD1 3.81Å; A267-V325 PolarHBondContact N-O 3.47Å; A267-V326 HydrophobicContact CB-CG2 4.37Å; A267-V326 WeakPolarHBondContact O-CA 3.32Å; A267-L327 PolarHBondContact O-N 2.96Å
268L96.8Very high89.6Confident2 Ų238.6 Ų38.61%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-118.3122.5170.2-175.2146.3000108.4V243 N270 L308 S309 L310 C311 L327V243-L268 HydrophobicContact CG2-CD1 3.46Å; V243-L268 VanDerWaalsContact CG2-CD1 3.46Å; V243-L268 HydrophobicContact CG2-CG 4.36Å; L268-N270 HydrophobicContact CD2-CB 4.44Å; L268-L308 HydrophobicContact CB-CD1 4Å; L268-L308 HydrophobicContact CB-CD2 4.03Å; L268-L308 HydrophobicContact CB-CG 4.11Å; L268-L308 HydrophobicContact CD1-CD2 4.1Å; L268-S309 PolarHBondContact N-O 2.87Å; L268-L310 HydrophobicContact CB-CD2 4.22Å; L268-L310 HydrophobicContact CD2-CD2 4.42Å; L268-C311 PolarHBondContact O-N 2.96Å; L268-L327 WeakPolarHBondContact CA-O 3.13Å; L268-L327 HydrophobicContact CD1-CD1 4.3Å; L268-L327 HydrophobicContact CG-CB 4.44Å
269L95Very high90.6Very high0 Ų033.3 Ų33.30%020%0.195CC..EExtended strand (participates in β ladder)trans-123.795.5-169.5-178.967.3000110.9C311 L314 L317 V326 L327 S329 F337 L341L269-C311 HydrophobicContact CD1-CB 3.65Å; L269-L314 HydrophobicContact CD2-CD2 4.15Å; L269-L317 HydrophobicContact CD2-CD2 3.84Å; L269-V326 HydrophobicContact CB-CG1 3.82Å; L269-V326 HydrophobicContact CD2-CG1 4.28Å; L269-L327 PolarHBondContact N-O 3.41Å; L269-S329 PolarHBondContact O-N 3.41Å; L269-F337 HydrophobicContact CD1-CD2 4.08Å; L269-F337 HydrophobicContact CD1-CE2 4.27Å; L269-F337 HydrophobicContact CD1-CG 4.26Å; L269-F337 HydrophobicContact CD2-CB 3.47Å; L269-F337 VanDerWaalsContact CD2-CB 3.47Å; L269-F337 HydrophobicContact CD2-CD1 4.24Å; L269-F337 HydrophobicContact CD2-CD2 4.25Å; L269-F337 HydrophobicContact CD2-CG 3.75Å; L269-F337 HydrophobicContact CG-CB 3.77Å; L269-F337 HydrophobicContact CG-CD1 4.44Å; L269-F337 HydrophobicContact CG-CD2 3.68Å; L269-F337 HydrophobicContact CG-CE2 4.36Å; L269-F337 HydrophobicContact CG-CG 3.71Å; L269-L341 HydrophobicContact CD2-CD1 3.6Å; L269-L341 HydrophobicContact CD2-CG 4.46Å
270N92.3Very high91.6Very high0 Ų032.2 Ų32.20%019%0.186CC..  trans-137.8155.1176.4-54.25.1000107.6T239 L268 V272 S273 C311 S329T239-N270 PolarHBondContact O-ND2 2.95Å; L268-N270 HydrophobicContact CD2-CB 4.44Å; N270-V272 PolarHBondContact O-N 3.48Å; N270-S273 PolarHBondContact O-N 3.34Å; N270-S273 PolarHBondContact O-OG 3.24Å; N270-C311 PolarHBondContact N-O 3.42Å; N270-S329 WeakPolarHBondContact OD1-CB 3.49Å; N270-S329 PolarHBondContact OD1-N 3.01Å
271N92.3Very high92.3Very high23 Ų2331.9 Ų31.912%0.12317%0.171CC..THydrogen-bonded Turntrans-64.7-25177.6-62.3-75.7000112.3D100 Q103 S104 N107 H312 F337D100-N271 VanDerWaalsContact OD1-CB 3.3Å; D100-N271 WeakPolarHBondContact OD1-CB 3.25Å; D100-N271 PolarHBondContact OD1-N 3.26Å; D100-N271 PolarHBondContact OD1-ND2 3.36Å; Q103-N271 HydrophobicContact CB-CB 4.06Å; Q103-N271 HydrophobicContact CG-CB 3.89Å; S104-N271 PolarHBondContact OG-ND2 3.02Å; S104-N271 VanDerWaalsContact OG-ND2 3.12Å; N107-N271 PolarHBondContact ND2-OD1 3.44Å; N271-H312 PolarHBondContact O-CD2 3.46Å; N271-F337 WeakPolarHBondContact OD1-CE2 3.2Å; N271-F337 WeakPolarHBondContact OD1-CZ 3.49Å
272V93.7Very high92.8Very high22 Ų2235.5 Ų35.513%0.13320%0.196CC..THydrogen-bonded Turntrans-120.729.9-178.3-63.60000112.5M96 D100 T239 N270 Y274 N275 V276M96-V272 HydrophobicContact CB-CG2 4.16Å; M96-V272 HydrophobicContact SD-CB 4.18Å; M96-V272 HydrophobicContact SD-CG2 4.24Å; D100-V272 HydrophobicContact CB-CG2 3.98Å; T239-V272 HydrophobicContact CG2-CG2 4.08Å; N270-V272 PolarHBondContact O-N 3.48Å; V272-Y274 VanDerWaalsContact C-N 3.32Å; V272-Y274 PolarHBondContact O-N 3.47Å; V272-N275 PolarHBondContact O-N 3.29Å; V272-V276 HydrophobicContact CG2-CG2 4.15Å; V272-V276 WeakPolarHBondContact O-CG2 3.43Å; V272-V276 PolarHBondContact O-N 3.04Å; V272-V276 VanDerWaalsContact O-N 3.17Å
273S90.4Very high93.3Very high0 Ų033.2 Ų33.20%017%0.172CC..Hα-helixtrans-56.9-38.9-172.256.60000114.1N270 V277 C311 H312N270-S273 PolarHBondContact O-N 3.34Å; N270-S273 PolarHBondContact O-OG 3.24Å; S273-V277 PolarHBondContact O-N 3.38Å; S273-C311 PolarHBondContact OG-O 3.49Å; S273-H312 PolarHBondContact OG-CD2 2.91Å; S273-H312 VanDerWaalsContact OG-CD2 3.32Å; S273-H312 PolarHBondContact OG-NE2 3.41Å
274Y93.3Very high93.5Very high126 Ų12627.6 Ų27.649%0.49414%0.137SC..Hα-helixtrans-60.2-52.5176.1178-96.7000112.3V272 V276 V277 E278 L310 H312V272-Y274 VanDerWaalsContact C-N 3.32Å; V272-Y274 PolarHBondContact O-N 3.47Å; Y274-V276 VanDerWaalsContact C-N 3.34Å; Y274-V276 PolarHBondContact O-N 2.76Å; Y274-V277 PolarHBondContact O-N 3.42Å; Y274-E278 HydrophobicContact CE1-CB 4.46Å; Y274-E278 WeakPolarHBondContact O-CB 3.45Å; Y274-E278 PolarHBondContact O-N 3.5Å; Y274-L310 HydrophobicContact CD2-CD1 4.5Å; Y274-H312 VanDerWaalsContact CB-NE2 3.35Å; Y274-H312 WeakPolarHBondContact CB-NE2 3.42Å; Y274-H312 PolarHBondContact N-NE2 3.33Å
275N94.5Very high93.4Very high66 Ų6630.2 Ų30.235%0.35315%0.151SC..Hα-helixtrans-62.5-39.5-177.5-64.168.4000112M96 V272 V277 E278 F279M96-N275 HydrophobicContact SD-CB 3.58Å; M96-N275 VanDerWaalsContact SD-CB 3.58Å; V272-N275 PolarHBondContact O-N 3.29Å; N275-V277 PolarHBondContact O-N 3.02Å; N275-E278 PolarHBondContact O-N 2.84Å; N275-F279 HydrophobicContact CB-CD2 4.27Å; N275-F279 HydrophobicContact CB-CE2 3.88Å; N275-F279 HydrophobicContact CB-CZ 4.47Å; N275-F279 WeakPolarHBondContact O-CB 3.19Å; N275-F279 WeakPolarHBondContact O-CD2 2.93Å; N275-F279 VanDerWaalsContact O-CG 3.24Å; N275-F279 WeakPolarHBondContact O-CG 3.37Å; N275-F279 PolarHBondContact O-N 2.9Å
276V93.9Very high93.5Very high0 Ų030.1 Ų30.10%015%0.148CC..Hα-helixtrans-57.5-49.6176.4171.60000110.9M96 T239 A240 L244 V272 Y274 S280M96-V276 HydrophobicContact CB-CG2 4.02Å; M96-V276 HydrophobicContact CG-CG2 4.16Å; T239-V276 HydrophobicContact CG2-CG2 4.33Å; A240-V276 HydrophobicContact CB-CG1 3.96Å; A240-V276 HydrophobicContact CB-CG2 3.95Å; L244-V276 HydrophobicContact CD2-CG1 4.18Å; V272-V276 HydrophobicContact CG2-CG2 4.15Å; V272-V276 WeakPolarHBondContact O-CG2 3.43Å; V272-V276 PolarHBondContact O-N 3.04Å; V272-V276 VanDerWaalsContact O-N 3.17Å; Y274-V276 VanDerWaalsContact C-N 3.34Å; Y274-V276 PolarHBondContact O-N 2.76Å; V276-S280 WeakPolarHBondContact O-CB 3.48Å; V276-S280 PolarHBondContact O-N 2.87Å; V276-S280 PolarHBondContact O-OG 3.15Å
277V94.3Very high93.4Very high5 Ų530.2 Ų30.23%0.0315%0.148CC..Hα-helixtrans-68.4-40.8179.9174.90000110.8S273 Y274 N275 S280 K281 F305 L310S273-V277 PolarHBondContact O-N 3.38Å; Y274-V277 PolarHBondContact O-N 3.42Å; N275-V277 PolarHBondContact O-N 3.02Å; V277-S280 PolarHBondContact O-N 3.44Å; V277-S280 PolarHBondContact O-OG 2.79Å; V277-K281 WeakPolarHBondContact O-CG 3.21Å; V277-K281 PolarHBondContact O-N 3.04Å; V277-K281 VanDerWaalsContact O-N 3.09Å; V277-F305 HydrophobicContact CG1-CD2 3.94Å; V277-F305 HydrophobicContact CG1-CE2 3.98Å; V277-F305 HydrophobicContact CG2-CD2 4.37Å; V277-F305 HydrophobicContact CG2-CE2 4.03Å; V277-L310 HydrophobicContact CB-CD1 4.33Å; V277-L310 HydrophobicContact CG2-CD1 4.4Å; V277-L310 HydrophobicContact CG2-CD2 3.83Å
278E94.5Very high93.2Very high75 Ų7530.3 Ų30.335%0.3515%0.149SC..Hα-helixtrans-65.6-42.5179.5-16456.9-150.700112.7Y274 N275 S280 K281 S282Y274-E278 HydrophobicContact CE1-CB 4.46Å; Y274-E278 WeakPolarHBondContact O-CB 3.45Å; Y274-E278 PolarHBondContact O-N 3.5Å; N275-E278 PolarHBondContact O-N 2.84Å; E278-S280 PolarHBondContact O-N 3.4Å; E278-K281 WeakPolarHBondContact O-CB 3.38Å; E278-K281 PolarHBondContact O-N 3.31Å; E278-K281 IonicContact OE2-NZ 2.67Å; E278-K281 PolarHBondContact OE2-NZ 3.45Å; E278-S282 PolarHBondContact O-N 2.67Å
279F94.5Very high92.9Very high49 Ų4933.9 Ų33.922%0.21517%0.168CC..Hα-helixtrans-66.3-38.6174.8-64.5-36.5000112.1M93 M96 N275 K281 S282 Q283M93-F279 HydrophobicContact CE-CB 4Å; M93-F279 HydrophobicContact SD-CB 4.41Å; M96-F279 HydrophobicContact CE-CE2 3.81Å; M96-F279 HydrophobicContact CG-CD2 4.04Å; M96-F279 HydrophobicContact CG-CE2 4.16Å; M96-F279 HydrophobicContact SD-CD2 4.16Å; M96-F279 HydrophobicContact SD-CE2 3.73Å; N275-F279 HydrophobicContact CB-CD2 4.27Å; N275-F279 HydrophobicContact CB-CE2 3.88Å; N275-F279 HydrophobicContact CB-CZ 4.47Å; N275-F279 WeakPolarHBondContact O-CB 3.19Å; N275-F279 WeakPolarHBondContact O-CD2 2.93Å; N275-F279 VanDerWaalsContact O-CG 3.24Å; N275-F279 WeakPolarHBondContact O-CG 3.37Å; N275-F279 PolarHBondContact O-N 2.9Å; F279-K281 VanDerWaalsContact C-N 3.26Å; F279-K281 PolarHBondContact O-N 3.09Å; F279-S282 PolarHBondContact O-N 3.33Å; F279-S282 PolarHBondContact O-OG 3.33Å; F279-Q283 WeakPolarHBondContact O-CG 3.22Å; F279-Q283 PolarHBondContact O-N 3.15Å
280S93.5Very high92.6Very high0 Ų040.5 Ų40.50%020%0.197CC..Hα-helixtrans-60.5-35.8175.175.40000112.4V276 V277 E278 S282 Q283 M287 F303V276-S280 WeakPolarHBondContact O-CB 3.48Å; V276-S280 PolarHBondContact O-N 2.87Å; V276-S280 PolarHBondContact O-OG 3.15Å; V277-S280 PolarHBondContact O-N 3.44Å; V277-S280 PolarHBondContact O-OG 2.79Å; E278-S280 PolarHBondContact O-N 3.4Å; S280-S282 VanDerWaalsContact C-N 3.28Å; S280-S282 PolarHBondContact O-N 3.25Å; S280-Q283 PolarHBondContact O-N 3.35Å; S280-M287 WeakPolarHBondContact O-CE 3.3Å; S280-F303 WeakPolarHBondContact OG-CB 3.25Å; S280-F303 VanDerWaalsContact OG-CD1 3.25Å; S280-F303 WeakPolarHBondContact OG-CD1 3.13Å; S280-F303 VanDerWaalsContact OG-CG 3.28Å; S280-F303 WeakPolarHBondContact OG-CG 3.29Å
281K92.2Very high92.4Very high40 Ų4041 Ų4117%0.17420%0.199CC..Hα-helixtrans-64.6-31.4174.2-70.5175.4-160.4161.60112.7V277 E278 F279 V284 N301 F303 Q304V277-K281 WeakPolarHBondContact O-CG 3.21Å; V277-K281 PolarHBondContact O-N 3.04Å; V277-K281 VanDerWaalsContact O-N 3.09Å; E278-K281 WeakPolarHBondContact O-CB 3.38Å; E278-K281 PolarHBondContact O-N 3.31Å; E278-K281 IonicContact OE2-NZ 2.67Å; E278-K281 PolarHBondContact OE2-NZ 3.45Å; F279-K281 VanDerWaalsContact C-N 3.26Å; F279-K281 PolarHBondContact O-N 3.09Å; K281-V284 WeakPolarHBondContact O-CG2 3.26Å; K281-N301 WeakPolarHBondContact CA-ND2 3.44Å; K281-N301 VanDerWaalsContact CB-ND2 3.33Å; K281-N301 WeakPolarHBondContact CB-ND2 3.4Å; K281-N301 PolarHBondContact O-ND2 3.21Å; K281-F303 WeakPolarHBondContact CE-O 3.21Å; K281-F303 HydrophobicContact CG-CB 3.77Å; K281-Q304 VanDerWaalsContact CE-OE1 3.24Å
282S92.6Very high92.2Very high76 Ų7642.3 Ų42.353%0.53121%0.205SC..Hα-helixtrans-80.5-22.7-178.573.60000113.8E278 F279 S280E278-S282 PolarHBondContact O-N 2.67Å; F279-S282 PolarHBondContact O-N 3.33Å; F279-S282 PolarHBondContact O-OG 3.33Å; S280-S282 VanDerWaalsContact C-N 3.28Å; S280-S282 PolarHBondContact O-N 3.25Å
283Q91.7Very high91.9Very high7 Ų748.9 Ų48.93%0.03323%0.228CC..  trans-10533.6-171.5-65.6173.6-13.800113.1I155 F279 S280 E285 W286I155-Q283 HydrophobicContact CD1-CB 4.37Å; F279-Q283 WeakPolarHBondContact O-CG 3.22Å; F279-Q283 PolarHBondContact O-N 3.15Å; S280-Q283 PolarHBondContact O-N 3.35Å; Q283-E285 VanDerWaalsContact C-OE2 3.27Å; Q283-E285 WeakPolarHBondContact CA-OE2 3.23Å; Q283-E285 PolarHBondContact O-N 2.87Å; Q283-W286 WeakPolarHBondContact O-CB 3.34Å; Q283-W286 PolarHBondContact O-N 3.11Å; Q283-W286 VanDerWaalsContact O-N 3.07Å
284V91.3Very high91.6Very high10 Ų1051.3 Ų51.36%0.06124%0.244CC..G310 helixtrans-63.5-24.5-176.8175.60000112.2K281 W286 M287 L291 F295K281-V284 WeakPolarHBondContact O-CG2 3.26Å; V284-W286 PolarHBondContact O-N 3.08Å; V284-M287 HydrophobicContact CG2-SD 4.36Å; V284-M287 WeakPolarHBondContact O-CB 3.31Å; V284-M287 PolarHBondContact O-N 2.91Å; V284-L291 HydrophobicContact CG1-CD2 3.91Å; V284-F295 HydrophobicContact CG1-CB 4.2Å; V284-F295 HydrophobicContact CG1-CD1 4.25Å; V284-F295 HydrophobicContact CG1-CG 4.22Å
285E91.3Very high91.2Very high110 Ų11049.2 Ų49.251%0.51424%0.238SC..G310 helixtrans-67-17.4175.976.5-81.5-164.200113.9Q283 M292Q283-E285 VanDerWaalsContact C-OE2 3.27Å; Q283-E285 WeakPolarHBondContact CA-OE2 3.23Å; Q283-E285 PolarHBondContact O-N 2.87Å; E285-M292 WeakPolarHBondContact O-CE 3.29Å
286W93.8Very high90.8Very high20 Ų2052 Ų528%0.07625%0.249CC..G310 helixtrans-91-2.2179-6685.2000113.6T87 I88 P89 L129 K130 F131 I155 Q283 V284T87-W286 HydrophobicContact CG2-CH2 3.88Å; T87-W286 HydrophobicContact CG2-CZ3 3.77Å; I88-W286 HydrophobicContact CB-CH2 4.45Å; I88-W286 HydrophobicContact CB-CZ2 3.76Å; I88-W286 HydrophobicContact CD1-CZ2 3.82Å; I88-W286 HydrophobicContact CG1-CZ2 3.81Å; P89-W286 HydrophobicContact CG-CB 4.07Å; P89-W286 HydrophobicContact CG-CD2 3.42Å; P89-W286 VanDerWaalsContact CG-CD2 3.42Å; P89-W286 HydrophobicContact CG-CE3 3.64Å; P89-W286 HydrophobicContact CG-CG 3.59Å; P89-W286 HydrophobicContact CG-CZ2 4.44Å; P89-W286 HydrophobicContact CG-CZ3 4.23Å; L129-W286 WeakPolarHBondContact O-CH2 3.37Å; K130-W286 HydrophobicContact CB-CH2 4.47Å; K130-W286 HydrophobicContact CG-CZ2 4.15Å; F131-W286 HydrophobicContact CD1-CZ3 4.08Å; F131-W286 AromaticContact CD2-CE3 3.51Å; F131-W286 HydrophobicContact CD2-CE3 3.51Å; F131-W286 HydrophobicContact CD2-CH2 4.5Å; F131-W286 AromaticContact CD2-CZ3 3.43Å; F131-W286 HydrophobicContact CD2-CZ3 3.43Å; F131-W286 VanDerWaalsContact CD2-CZ3 3.43Å; F131-W286 HydrophobicContact CE1-CZ3 4.05Å; F131-W286 HydrophobicContact CE2-CD2 4.43Å; F131-W286 AromaticContact CE2-CE3 3.22Å; F131-W286 HydrophobicContact CE2-CE3 3.22Å; F131-W286 AromaticContact CE2-CZ3 3.44Å; F131-W286 HydrophobicContact CE2-CZ3 3.44Å; F131-W286 VanDerWaalsContact CE2-CZ3 3.44Å; F131-W286 HydrophobicContact CG-CE3 4.32Å; F131-W286 AromaticContact CG-CZ3 3.78Å; F131-W286 HydrophobicContact CG-CZ3 3.78Å; F131-W286 AromaticContact CZ-CE3 3.81Å; F131-W286 HydrophobicContact CZ-CE3 3.81Å; F131-W286 AromaticContact CZ-CZ3 3.74Å; F131-W286 HydrophobicContact CZ-CZ3 3.74Å; I155-W286 HydrophobicContact CG1-CB 4.46Å; Q283-W286 WeakPolarHBondContact O-CB 3.34Å; Q283-W286 PolarHBondContact O-N 3.11Å; Q283-W286 VanDerWaalsContact O-N 3.07Å; V284-W286 PolarHBondContact O-N 3.08Å
287M92.6Very high90.5Very high4 Ų458.4 Ų58.42%0.0228%0.283CS..SBendtrans-101.1179.6-170.8-64174.717600112.1I155 H183 S280 V284 L291 F303I155-M287 HydrophobicContact CD1-CE 3.58Å; I155-M287 HydrophobicContact CD1-CG 4.36Å; H183-M287 CarbonylContact O-C 3.58Å; H183-M287 VanDerWaalsContact O-CA 3.26Å; H183-M287 WeakPolarHBondContact O-CA 3.26Å; H183-M287 VanDerWaalsContact O-CB 3.24Å; H183-M287 WeakPolarHBondContact O-CB 3.39Å; S280-M287 WeakPolarHBondContact O-CE 3.3Å; V284-M287 HydrophobicContact CG2-SD 4.36Å; V284-M287 WeakPolarHBondContact O-CB 3.31Å; V284-M287 PolarHBondContact O-N 2.91Å; M287-L291 HydrophobicContact CB-CD2 4.13Å; M287-L291 HydrophobicContact SD-CD1 4.15Å; M287-L291 HydrophobicContact SD-CD2 3.72Å; M287-F303 HydrophobicContact CE-CD2 3.65Å; M287-F303 HydrophobicContact CE-CE2 3.2Å; M287-F303 HydrophobicContact CE-CZ 3.71Å; M287-F303 HydrophobicContact SD-CD2 3.85Å; M287-F303 HydrophobicContact SD-CE2 3.21Å; M287-F303 WeakPolarHBondContact SD-CE2 3.5Å; M287-F303 HydrophobicContact SD-CZ 4.06Å
288S92.6Very high90Very high1 Ų165 Ų651%0.00731%0.311CS..  trans-61146.2-176.980.70000112.4I182 H183 N185 K290 L291 M292I182-S288 PolarHBondContact O-OG 3.11Å; H183-S288 PolarHBondContact O-N 3.23Å; N185-S288 VanDerWaalsContact OD1-CA 3.31Å; N185-S288 WeakPolarHBondContact OD1-CA 3.46Å; N185-S288 WeakPolarHBondContact OD1-CB 3.24Å; S288-K290 PolarHBondContact O-N 2.85Å; S288-L291 WeakPolarHBondContact O-CB 3.44Å; S288-L291 PolarHBondContact O-N 3.36Å; S288-L291 WeakPolarHBondContact OG-CB 3.35Å; S288-L291 PolarHBondContact OG-N 3.27Å; S288-M292 PolarHBondContact O-N 3.45Å
289D90.6Very high89.6Confident77 Ų7771.9 Ų71.941%0.41233%0.334SS..Hα-helixtrans-58.7-30.2179.4-57.5-10.1000111.4N185 R293N185-D289 PolarHBondContact ND2-OD1 3.03Å; N185-D289 PolarHBondContact OD1-N 2.86Å; D289-R293 WeakPolarHBondContact O-CB 3.24Å; D289-R293 VanDerWaalsContact O-CG 3.23Å; D289-R293 WeakPolarHBondContact O-CG 3.31Å; D289-R293 PolarHBondContact O-N 2.7Å
290K88.9Confident89.1Confident140 Ų14073.9 Ų73.961%0.60935%0.347SS*.Hα-helixtrans-66.1-42.8177.2-174.1-177.7177.4-171.60110.9S288 C294S288-K290 PolarHBondContact O-N 2.85Å; K290-C294 PolarHBondContact O-N 2.98Å; K290-C294 PolarHBondContact O-SG 2.7Å
291L87.1Confident88.8Confident9 Ų975.4 Ų75.45%0.04736%0.355CS..Hα-helixtrans-70.7-42.9179.3-167.6155.4000110.2H183 V284 M287 S288 C294 F295 P302 F303H183-L291 HydrophobicContact CB-CD1 3.98Å; V284-L291 HydrophobicContact CG1-CD2 3.91Å; M287-L291 HydrophobicContact CB-CD2 4.13Å; M287-L291 HydrophobicContact SD-CD1 4.15Å; M287-L291 HydrophobicContact SD-CD2 3.72Å; S288-L291 WeakPolarHBondContact O-CB 3.44Å; S288-L291 PolarHBondContact O-N 3.36Å; S288-L291 WeakPolarHBondContact OG-CB 3.35Å; S288-L291 PolarHBondContact OG-N 3.27Å; L291-C294 WeakPolarHBondContact O-CB 3.38Å; L291-C294 PolarHBondContact O-N 3.14Å; L291-F295 PolarHBondContact O-N 2.7Å; L291-F295 VanDerWaalsContact O-N 3.09Å; L291-P302 HydrophobicContact CD1-CB 3.91Å; L291-P302 HydrophobicContact CD1-CG 4.41Å; L291-P302 HydrophobicContact CD2-CB 3.68Å; L291-P302 HydrophobicContact CD2-CG 3.36Å; L291-P302 HydrophobicContact CG-CB 3.64Å; L291-P302 HydrophobicContact CG-CG 3.6Å; L291-F303 HydrophobicContact CD1-CE2 3.78Å; L291-F303 HydrophobicContact CD1-CZ 4.37Å; L291-F303 HydrophobicContact CD2-CE2 4.48Å
292M88Confident88.5Confident51 Ų5174.1 Ų74.125%0.25135%0.35SS..Hα-helixtrans-58.1-49.4175.4-168.9179.1-58.800112.2E285 S288 C294 F295 E296E285-M292 WeakPolarHBondContact O-CE 3.29Å; S288-M292 PolarHBondContact O-N 3.45Å; M292-C294 VanDerWaalsContact C-N 3.31Å; M292-C294 PolarHBondContact O-N 2.79Å; M292-F295 WeakPolarHBondContact O-CB 3.43Å; M292-F295 PolarHBondContact O-N 3.39Å; M292-F295 VanDerWaalsContact O-N 3.07Å; M292-E296 WeakPolarHBondContact O-CG 3.4Å; M292-E296 PolarHBondContact O-N 3.16Å
293R87.5Confident88.4Confident161 Ų16170.5 Ų70.561%0.60833%0.325SS*.Hα-helixtrans-60.3-38.8175.9-72.7176.2-166.9-1674.4112.9D289 F295 E296 D297D289-R293 WeakPolarHBondContact O-CB 3.24Å; D289-R293 VanDerWaalsContact O-CG 3.23Å; D289-R293 WeakPolarHBondContact O-CG 3.31Å; D289-R293 PolarHBondContact O-N 2.7Å; R293-F295 VanDerWaalsContact C-N 3.26Å; R293-F295 PolarHBondContact O-N 2.78Å; R293-E296 PolarHBondContact O-N 3.17Å; R293-D297 WeakPolarHBondContact O-CB 3.32Å; R293-D297 VanDerWaalsContact O-CG 3.32Å; R293-D297 PolarHBondContact O-N 3.07Å
294C83.9Confident88.3Confident51 Ų5175.1 Ų75.135%0.34535%0.347SS..Hα-helixtrans-63.3-35.2176.9-69.80000112.1K290 L291 M292 K298K290-C294 PolarHBondContact O-N 2.98Å; K290-C294 PolarHBondContact O-SG 2.7Å; L291-C294 WeakPolarHBondContact O-CB 3.38Å; L291-C294 PolarHBondContact O-N 3.14Å; M292-C294 VanDerWaalsContact C-N 3.31Å; M292-C294 PolarHBondContact O-N 2.79Å; C294-K298 WeakPolarHBondContact O-CB 3.33Å; C294-K298 PolarHBondContact O-N 3.23Å; C294-K298 VanDerWaalsContact O-N 3.11Å
295F85.6Confident88.3Confident81 Ų8175.7 Ų75.736%0.35535%0.348SS..Hα-helixtrans-69.2-46.6175.5177.6-107.6000111.4V284 L291 M292 R293 D297 R299 N301V284-F295 HydrophobicContact CG1-CB 4.2Å; V284-F295 HydrophobicContact CG1-CD1 4.25Å; V284-F295 HydrophobicContact CG1-CG 4.22Å; L291-F295 PolarHBondContact O-N 2.7Å; L291-F295 VanDerWaalsContact O-N 3.09Å; M292-F295 WeakPolarHBondContact O-CB 3.43Å; M292-F295 PolarHBondContact O-N 3.39Å; M292-F295 VanDerWaalsContact O-N 3.07Å; R293-F295 VanDerWaalsContact C-N 3.26Å; R293-F295 PolarHBondContact O-N 2.78Å; F295-D297 PolarHBondContact O-N 3.31Å; F295-R299 WeakPolarHBondContact O-CA 3.41Å; F295-R299 PolarHBondContact O-N 3.2Å; F295-N301 HydrophobicContact CD2-CB 4.47Å; F295-N301 HydrophobicContact CE2-CB 4.31Å
296E87.1Confident88.1Confident126 Ų12679 Ų7959%0.58936%0.357SS*.Hα-helixtrans-59.9-45.8177.4-69.3175.5171.700112.3M292 R293M292-E296 WeakPolarHBondContact O-CG 3.4Å; M292-E296 PolarHBondContact O-N 3.16Å; R293-E296 PolarHBondContact O-N 3.17Å
297D87.9Confident87.9Confident134 Ų13481.3 Ų81.372%0.71737%0.368SS*.Hα-helixtrans-74.2-45.3-175.8-72.2-23.6000112.8R293 F295R293-D297 WeakPolarHBondContact O-CB 3.32Å; R293-D297 VanDerWaalsContact O-CG 3.32Å; R293-D297 PolarHBondContact O-N 3.07Å; F295-D297 PolarHBondContact O-N 3.31Å
298K84Confident87.9Confident142 Ų14281.8 Ų81.862%0.61737%0.37SS*.Hα-helixtrans-102.9-6.5-169.1-60.2179.1-178.3172.40113.7C294 N300C294-K298 WeakPolarHBondContact O-CB 3.33Å; C294-K298 PolarHBondContact O-N 3.23Å; C294-K298 VanDerWaalsContact O-N 3.11Å; K298-N300 HydrophobicContact CB-CB 4.41Å; K298-N300 PolarHBondContact O-N 2.78Å; K298-N300 PolarHBondContact O-ND2 2.97Å
299R84.9Confident88Confident221 Ų22184.3 Ų84.383%0.83439%0.388SS*.  trans5027.1-173.6-58.3-178.4179.4-174-2113.7F295F295-R299 WeakPolarHBondContact O-CA 3.41Å; F295-R299 PolarHBondContact O-N 3.2Å
300N84.6Confident88.2Confident91 Ų9183.5 Ų83.549%0.48738%0.383SS..  trans-109.7120179.2-76.1-44000108.1K298 P302K298-N300 HydrophobicContact CB-CB 4.41Å; K298-N300 PolarHBondContact O-N 2.78Å; K298-N300 PolarHBondContact O-ND2 2.97Å; N300-P302 VanDerWaalsContact O-CD 3.3Å; N300-P302 WeakPolarHBondContact O-CD 3.37Å
301N86.6Confident88.4Confident32 Ų3277 Ų7717%0.17136%0.355CS..  trans-64.7124.8174.8-163.8-49000109.6K281 F295 F303 Q304K281-N301 WeakPolarHBondContact CA-ND2 3.44Å; K281-N301 VanDerWaalsContact CB-ND2 3.33Å; K281-N301 WeakPolarHBondContact CB-ND2 3.4Å; K281-N301 PolarHBondContact O-ND2 3.21Å; F295-N301 HydrophobicContact CD2-CB 4.47Å; F295-N301 HydrophobicContact CE2-CB 4.31Å; N301-F303 PolarHBondContact O-N 3.25Å; N301-F303 PolarHBondContact OD1-N 2.85Å; N301-Q304 HydrophobicContact CB-CB 4.15Å; N301-Q304 WeakPolarHBondContact O-CB 3.28Å; N301-Q304 PolarHBondContact O-N 3.19Å
302P86.1Confident88.6Confident12 Ų1279.4 Ų79.48%0.07837%0.366CS..THydrogen-bonded Turntrans-63.2-27-178.7-31.645.5000113.7Q248 L291 N300 Q304Q248-P302 PolarHBondContact OE1-O 2.77Å; L291-P302 HydrophobicContact CD1-CB 3.91Å; L291-P302 HydrophobicContact CD1-CG 4.41Å; L291-P302 HydrophobicContact CD2-CB 3.68Å; L291-P302 HydrophobicContact CD2-CG 3.36Å; L291-P302 HydrophobicContact CG-CB 3.64Å; L291-P302 HydrophobicContact CG-CG 3.6Å; N300-P302 VanDerWaalsContact O-CD 3.3Å; N300-P302 WeakPolarHBondContact O-CD 3.37Å; P302-Q304 VanDerWaalsContact C-N 3.33Å
303F89.7Confident88.8Confident0 Ų078.7 Ų78.70%037%0.366CS..THydrogen-bonded Turntrans-90.76.9175.9-68.9-87.7000113.4H183 L244 S280 K281 M287 L291 N301 F305H183-F303 HydrophobicContact CB-CZ 4.07Å; L244-F303 HydrophobicContact CB-CE1 3.8Å; L244-F303 HydrophobicContact CB-CZ 4.28Å; L244-F303 HydrophobicContact CD2-CD1 4.15Å; L244-F303 HydrophobicContact CD2-CE1 3.83Å; L244-F303 HydrophobicContact CG-CE1 4.26Å; S280-F303 WeakPolarHBondContact OG-CB 3.25Å; S280-F303 VanDerWaalsContact OG-CD1 3.25Å; S280-F303 WeakPolarHBondContact OG-CD1 3.13Å; S280-F303 VanDerWaalsContact OG-CG 3.28Å; S280-F303 WeakPolarHBondContact OG-CG 3.29Å; K281-F303 WeakPolarHBondContact CE-O 3.21Å; K281-F303 HydrophobicContact CG-CB 3.77Å; M287-F303 HydrophobicContact CE-CD2 3.65Å; M287-F303 HydrophobicContact CE-CE2 3.2Å; M287-F303 HydrophobicContact CE-CZ 3.71Å; M287-F303 HydrophobicContact SD-CD2 3.85Å; M287-F303 HydrophobicContact SD-CE2 3.21Å; M287-F303 WeakPolarHBondContact SD-CE2 3.5Å; M287-F303 HydrophobicContact SD-CZ 4.06Å; L291-F303 HydrophobicContact CD1-CE2 3.78Å; L291-F303 HydrophobicContact CD1-CZ 4.37Å; L291-F303 HydrophobicContact CD2-CE2 4.48Å; N301-F303 PolarHBondContact O-N 3.25Å; N301-F303 PolarHBondContact OD1-N 2.85Å; F303-F305 VanDerWaalsContact C-N 3.28Å; F303-F305 HydrophobicContact CB-CZ 4.47Å; F303-F305 HydrophobicContact CD1-CE1 4.43Å; F303-F305 HydrophobicContact CD1-CE2 4.08Å; F303-F305 AromaticContact CD1-CZ 3.57Å; F303-F305 HydrophobicContact CD1-CZ 3.57Å; F303-F305 HydrophobicContact CE1-CZ 4.17Å; F303-F305 HydrophobicContact CG-CZ 4.41Å; F303-F305 WeakPolarHBondContact O-CD2 3.48Å; F303-F305 PolarHBondContact O-N 3.27Å
304Q90.4Very high88.8Confident104 Ų10473.8 Ų73.849%0.48635%0.352SS..  trans-79.783.9162.9-169.764.837.500109R255 K281 N301 P302R255-Q304 PolarHBondContact NH2-O 3.38Å; K281-Q304 VanDerWaalsContact CE-OE1 3.24Å; N301-Q304 HydrophobicContact CB-CB 4.15Å; N301-Q304 WeakPolarHBondContact O-CB 3.28Å; N301-Q304 PolarHBondContact O-N 3.19Å; P302-Q304 VanDerWaalsContact C-N 3.33Å
305F90.9Very high89.1Confident22 Ų2275.3 Ų75.310%0.09636%0.363CS..  trans-69.1143.2178.2-56.9-59.4000111.4A247 D251 V277 F303 L308A247-F305 HydrophobicContact CB-CE1 4.23Å; A247-F305 HydrophobicContact CB-CE2 4.25Å; A247-F305 HydrophobicContact CB-CZ 3.73Å; D251-F305 HydrophobicContact CB-CD1 3.7Å; D251-F305 HydrophobicContact CB-CE1 4.23Å; V277-F305 HydrophobicContact CG1-CD2 3.94Å; V277-F305 HydrophobicContact CG1-CE2 3.98Å; V277-F305 HydrophobicContact CG2-CD2 4.37Å; V277-F305 HydrophobicContact CG2-CE2 4.03Å; F303-F305 VanDerWaalsContact C-N 3.28Å; F303-F305 HydrophobicContact CB-CZ 4.47Å; F303-F305 HydrophobicContact CD1-CE1 4.43Å; F303-F305 HydrophobicContact CD1-CE2 4.08Å; F303-F305 AromaticContact CD1-CZ 3.57Å; F303-F305 HydrophobicContact CD1-CZ 3.57Å; F303-F305 HydrophobicContact CE1-CZ 4.17Å; F303-F305 HydrophobicContact CG-CZ 4.41Å; F303-F305 WeakPolarHBondContact O-CD2 3.48Å; F303-F305 PolarHBondContact O-N 3.27Å; F305-L308 HydrophobicContact CB-CB 3.52Å; F305-L308 HydrophobicContact CB-CD2 4.37Å; F305-L308 HydrophobicContact CD2-CB 4.2Å; F305-L308 HydrophobicContact CD2-CD2 3.42Å; F305-L308 VanDerWaalsContact CD2-CD2 3.42Å; F305-L308 HydrophobicContact CD2-CG 4.42Å; F305-L308 HydrophobicContact CE2-CD2 3.72Å; F305-L308 HydrophobicContact CG-CB 3.89Å; F305-L308 HydrophobicContact CG-CD2 3.86Å; F305-L308 HydrophobicContact CZ-CD2 4.38Å
306R87.3Confident89.4Confident181 Ų18173.7 Ų73.768%0.68336%0.358SS*.SBendtrans-108.3-28.9178.4-66.8-175.6-179.1-172.9-1.2112.3D251D251-R306 PolarHBondContact OD1-N 3.48Å
307H89.8Confident89.7Confident67 Ų6768.1 Ų68.131%0.3133%0.333SS..SBendtrans-107.8-16.1-176.9-60.6-74000112.6D251 W254 S309D251-H307 IonicContact OD1-CD2 2.78Å; D251-H307 PolarHBondContact OD1-N 3.3Å; D251-H307 VanDerWaalsContact OD1-N 3.08Å; W254-H307 HydrophobicContact CB-CB 4Å; W254-H307 HydrophobicContact CG-CB 4.24Å; H307-S309 PolarHBondContact O-N 3.16Å
308L92.9Very high89.9Confident15 Ų1565.7 Ų65.78%0.07933%0.331CS..EExtended strand (participates in β ladder)trans-80.4115.9177.6-166.465.8000110.8A247 L266 L268 F305 L310A247-L308 HydrophobicContact CB-CD2 4.04Å; L266-L308 HydrophobicContact CB-CD1 4.43Å; L266-L308 HydrophobicContact CD1-CD1 4.48Å; L266-L308 HydrophobicContact CD2-CD1 3.77Å; L266-L308 HydrophobicContact CG-CD1 3.54Å; L268-L308 HydrophobicContact CB-CD1 4Å; L268-L308 HydrophobicContact CB-CD2 4.03Å; L268-L308 HydrophobicContact CB-CG 4.11Å; L268-L308 HydrophobicContact CD1-CD2 4.1Å; F305-L308 HydrophobicContact CB-CB 3.52Å; F305-L308 HydrophobicContact CB-CD2 4.37Å; F305-L308 HydrophobicContact CD2-CB 4.2Å; F305-L308 HydrophobicContact CD2-CD2 3.42Å; F305-L308 VanDerWaalsContact CD2-CD2 3.42Å; F305-L308 HydrophobicContact CD2-CG 4.42Å; F305-L308 HydrophobicContact CE2-CD2 3.72Å; F305-L308 HydrophobicContact CG-CB 3.89Å; F305-L308 HydrophobicContact CG-CD2 3.86Å; F305-L308 HydrophobicContact CZ-CD2 4.38Å; L308-L310 HydrophobicContact CD2-CD2 4.16Å; L308-L310 HydrophobicContact CG-CD2 4.3Å
309S93.5Very high90.3Very high53 Ų5368.4 Ų68.437%0.37134%0.337SS..EExtended strand (participates in β ladder)trans-89.8122.9172-56.70000109.5L266 A267 L268 H307L266-S309 PolarHBondContact O-N 2.82Å; A267-S309 CarbonylContact C-O 3.42Å; A267-S309 WeakPolarHBondContact CA-O 3.25Å; L268-S309 PolarHBondContact N-O 2.87Å; H307-S309 PolarHBondContact O-N 3.16Å
310L94.8Very high90.7Very high61 Ų6158.8 Ų58.832%0.31930%0.303SS..EExtended strand (participates in β ladder)trans-84.4132.1178.4-52.9177.8000109.2L268 Y274 V277 L308L268-L310 HydrophobicContact CB-CD2 4.22Å; L268-L310 HydrophobicContact CD2-CD2 4.42Å; Y274-L310 HydrophobicContact CD2-CD1 4.5Å; V277-L310 HydrophobicContact CB-CD1 4.33Å; V277-L310 HydrophobicContact CG2-CD1 4.4Å; V277-L310 HydrophobicContact CG2-CD2 3.83Å; L308-L310 HydrophobicContact CD2-CD2 4.16Å; L308-L310 HydrophobicContact CG-CD2 4.3Å
311C93.7Very high91Very high3 Ų358.7 Ų58.72%0.0231%0.307CS..EExtended strand (participates in β ladder)trans-129.4139.7-180-62.10000109.5L268 L269 N270 S273 D316L268-C311 PolarHBondContact O-N 2.96Å; L269-C311 HydrophobicContact CD1-CB 3.65Å; N270-C311 PolarHBondContact N-O 3.42Å; S273-C311 PolarHBondContact OG-O 3.49Å; C311-D316 HydrophobicContact CB-CB 4.08Å
312H92.2Very high91.1Very high59 Ų5960.8 Ų60.827%0.27333%0.325SS..SBendtrans-110.1-18.2178.3-58.292000112.3N271 S273 Y274 D316 F337N271-H312 PolarHBondContact O-CD2 3.46Å; S273-H312 PolarHBondContact OG-CD2 2.91Å; S273-H312 VanDerWaalsContact OG-CD2 3.32Å; S273-H312 PolarHBondContact OG-NE2 3.41Å; Y274-H312 VanDerWaalsContact CB-NE2 3.35Å; Y274-H312 WeakPolarHBondContact CB-NE2 3.42Å; Y274-H312 PolarHBondContact N-NE2 3.33Å; H312-D316 PolarHBondContact N-OD2 3.4Å; H312-F337 WeakPolarHBondContact O-CE2 3.42Å; H312-F337 VanDerWaalsContact O-CZ 3.25Å; H312-F337 WeakPolarHBondContact O-CZ 3.27Å
313S90.8Very high91.5Very high37 Ų3761 Ų6126%0.25933%0.325SS..SBendtrans-137.8160.5-177.869.80000111.8S315 D316 L317S313-S315 PolarHBondContact O-N 3.13Å; S313-S315 PolarHBondContact OG-N 2.9Å; S313-D316 PolarHBondContact N-OD2 3.06Å; S313-D316 PolarHBondContact O-N 3.17Å; S313-D316 PolarHBondContact OG-N 3.13Å; S313-D316 VanDerWaalsContact OG-N 3.11Å; S313-D316 PolarHBondContact OG-OD2 2.95Å; S313-L317 PolarHBondContact O-N 3.24Å; S313-L317 VanDerWaalsContact O-N 3.14Å
314L89.3Confident91.7Very high58 Ų5861.7 Ų61.730%0.30433%0.329SS..Hα-helixtrans-61.1-26.9170.4-66.4175.8000112.1L269 L317 A318 F337 D340 L341L269-L314 HydrophobicContact CD2-CD2 4.15Å; L314-L317 PolarHBondContact O-N 2.76Å; L314-A318 WeakPolarHBondContact O-CB 3.16Å; L314-A318 PolarHBondContact O-N 3.45Å; L314-F337 HydrophobicContact CD2-CD1 3.89Å; L314-F337 HydrophobicContact CD2-CE1 4.49Å; L314-F337 HydrophobicContact CG-CD1 3.85Å; L314-F337 HydrophobicContact CG-CE1 4.01Å; L314-D340 HydrophobicContact CD1-CB 4.3Å; L314-L341 HydrophobicContact CD2-CD2 4.45Å; L314-L341 HydrophobicContact CD2-CG 4.45Å
315S90.3Very high92.1Very high83 Ų8356.7 Ų56.758%0.5831%0.305SS*.Hα-helixtrans-68.5-39.9175.9-60.50000112.2S313 A318S313-S315 PolarHBondContact O-N 3.13Å; S313-S315 PolarHBondContact OG-N 2.9Å; S315-A318 PolarHBondContact O-N 3.17Å
316D91.5Very high92.4Very high47 Ų4755.7 Ų55.725%0.25130%0.301SS..Hα-helixtrans-66.4-42.7174-59.9-39.1000110.8C311 H312 S313 A318 R319C311-D316 HydrophobicContact CB-CB 4.08Å; H312-D316 PolarHBondContact N-OD2 3.4Å; S313-D316 PolarHBondContact N-OD2 3.06Å; S313-D316 PolarHBondContact O-N 3.17Å; S313-D316 PolarHBondContact OG-N 3.13Å; S313-D316 VanDerWaalsContact OG-N 3.11Å; S313-D316 PolarHBondContact OG-OD2 2.95Å; D316-A318 VanDerWaalsContact C-N 3.26Å; D316-A318 PolarHBondContact O-N 2.93Å; D316-R319 WeakPolarHBondContact O-CB 3.34Å; D316-R319 PolarHBondContact O-N 3.46Å
317L92.6Very high92.9Very high9 Ų947 Ų475%0.04727%0.268CS..Hα-helixtrans-61.7-35.9178-171.971.4000112.3A267 L269 S313 L314 R319 V320 K324 V326 L341A267-L317 HydrophobicContact CB-CD1 3.81Å; L269-L317 HydrophobicContact CD2-CD2 3.84Å; S313-L317 PolarHBondContact O-N 3.24Å; S313-L317 VanDerWaalsContact O-N 3.14Å; L314-L317 PolarHBondContact O-N 2.76Å; L317-R319 PolarHBondContact O-N 2.71Å; L317-V320 WeakPolarHBondContact O-CB 3.37Å; L317-V320 PolarHBondContact O-N 3.32Å; L317-V320 VanDerWaalsContact O-N 3.08Å; L317-K324 HydrophobicContact CD1-CD 4.12Å; L317-K324 HydrophobicContact CG-CD 4.36Å; L317-V326 HydrophobicContact CD1-CG1 4.11Å; L317-V326 HydrophobicContact CD1-CG2 3.69Å; L317-V326 HydrophobicContact CD2-CG1 4.47Å; L317-V326 HydrophobicContact CD2-CG2 4.31Å; L317-L341 HydrophobicContact CD2-CD1 4.08Å; L317-L341 HydrophobicContact CD2-CD2 3.65Å; L317-L341 HydrophobicContact CD2-CG 4.43Å
318A92.7Very high93.2Very high82 Ų8243.9 Ų43.968%0.67825%0.254SS*.Hα-helixtrans-64.6-23.2177.400000113.2L314 S315 D316 V320L314-A318 WeakPolarHBondContact O-CB 3.16Å; L314-A318 PolarHBondContact O-N 3.45Å; S315-A318 PolarHBondContact O-N 3.17Å; D316-A318 VanDerWaalsContact C-N 3.26Å; D316-A318 PolarHBondContact O-N 2.93Å; A318-V320 VanDerWaalsContact C-N 3.28Å
319R92.9Very high93.1Very high200 Ų20043.1 Ų43.176%0.75525%0.25SC*.Hα-helixtrans-76.1-18175.1-60.9173.9-177.9177.11.2112.4D316 L317D316-R319 WeakPolarHBondContact O-CB 3.34Å; D316-R319 PolarHBondContact O-N 3.46Å; L317-R319 PolarHBondContact O-N 2.71Å
320V91.6Very high93Very high18 Ų1841.2 Ų41.211%0.10924%0.235CC..SBendtrans-77.3129.4179.3-178.10000109.9S265 L317 A318 K324S265-V320 WeakPolarHBondContact OG-CG1 3.41Å; L317-V320 WeakPolarHBondContact O-CB 3.37Å; L317-V320 PolarHBondContact O-N 3.32Å; L317-V320 VanDerWaalsContact O-N 3.08Å; A318-V320 VanDerWaalsContact C-N 3.28Å; V320-K324 HydrophobicContact CB-CD 4.39Å; V320-K324 HydrophobicContact CG1-CB 4.43Å; V320-K324 HydrophobicContact CG1-CD 4.3Å; V320-K324 WeakPolarHBondContact O-CE 3.48Å; V320-K324 PolarHBondContact O-NZ 3.38Å
321P91.6Very high92.9Very high89 Ų8939.4 Ų39.458%0.57823%0.227SC*.PPolyproline II helixtrans-60.2140.3-180-24.133.2000113.1S265S265-P321 PolarHBondContact OG-O 3.23Å
322S89.2Confident92.8Very high77 Ų7739.4 Ų39.454%0.53823%0.226SC..SBendtrans-85.3149166.3-640000110.9K324S322-K324 PolarHBondContact OG-NZ 3.24Å
323P93.8Very high92.9Very high15 Ų1536.6 Ų36.610%0.09721%0.213CC..SBendcis-78.3146.3-1.731-32.6000112L227 G231 Y264L227-P323 HydrophobicContact CD2-CB 3.91Å; L227-P323 HydrophobicContact CD2-CG 4.36Å; G231-P323 WeakPolarHBondContact O-CB 3.45Å; Y264-P323 HydrophobicContact CD1-CG 3.51Å; Y264-P323 HydrophobicContact CE1-CG 3.51Å
324K95.1Very high92.9Very high15 Ų1536.7 Ų36.77%0.06521%0.21CC..EExtended strand (participates in β ladder)trans-133.6154-17467.3-17773.769.50113N232 V233 S265 L317 V320 S322 V326 W345N232-K324 WeakPolarHBondContact CA-O 3.32Å; N232-K324 PolarHBondContact OD1-N 3.02Å; N232-K324 VanDerWaalsContact OD1-N 3.12Å; V233-K324 PolarHBondContact N-O 3.01Å; S265-K324 WeakPolarHBondContact O-CA 3.36Å; L317-K324 HydrophobicContact CD1-CD 4.12Å; L317-K324 HydrophobicContact CG-CD 4.36Å; V320-K324 HydrophobicContact CB-CD 4.39Å; V320-K324 HydrophobicContact CG1-CB 4.43Å; V320-K324 HydrophobicContact CG1-CD 4.3Å; V320-K324 WeakPolarHBondContact O-CE 3.48Å; V320-K324 PolarHBondContact O-NZ 3.38Å; S322-K324 PolarHBondContact OG-NZ 3.24Å; K324-V326 HydrophobicContact CD-CG2 3.94Å; K324-V326 HydrophobicContact CG-CG2 3.95Å; K324-W345 HydrophobicContact CG-CH2 4.36Å
325V97.1Very high92.9Very high0 Ų034 Ų340%020%0.196CC..EExtended strand (participates in β ladder)trans-107.8127.1169.8-178.10000108.5V223 L227 V233 I235 W254 S265 L266 A267V223-V325 HydrophobicContact CG1-CG2 3.83Å; L227-V325 HydrophobicContact CD1-CG2 3.73Å; L227-V325 HydrophobicContact CD2-CG2 3.89Å; L227-V325 HydrophobicContact CG-CG2 4.13Å; V233-V325 HydrophobicContact CB-CB 4.41Å; V233-V325 HydrophobicContact CB-CG1 4.19Å; V233-V325 HydrophobicContact CB-CG2 4.1Å; V233-V325 HydrophobicContact CG1-CG1 4.39Å; V233-V325 HydrophobicContact CG2-CG2 4.23Å; V233-V325 WeakPolarHBondContact O-CA 3.23Å; I235-V325 HydrophobicContact CD1-CG1 3.8Å; I235-V325 HydrophobicContact CG1-CG1 4.25Å; W254-V325 HydrophobicContact CH2-CG2 3.93Å; W254-V325 HydrophobicContact CZ2-CG2 4.02Å; S265-V325 PolarHBondContact O-N 3.48Å; L266-V325 WeakPolarHBondContact CA-O 3.39Å; L266-V325 HydrophobicContact CD1-CB 3.7Å; L266-V325 HydrophobicContact CD1-CG1 3.72Å; A267-V325 PolarHBondContact N-O 3.47Å
326V97.5Very high92.9Very high0 Ų030.2 Ų30.20%017%0.17CC..EExtended strand (participates in β ladder)trans-122.1120-177.4-173.30000109.9V233 I235 A267 L269 L317 K324 A328 L341 W345V233-V326 PolarHBondContact O-N 2.82Å; I235-V326 PolarHBondContact N-O 2.75Å; A267-V326 HydrophobicContact CB-CG2 4.37Å; A267-V326 WeakPolarHBondContact O-CA 3.32Å; L269-V326 HydrophobicContact CB-CG1 3.82Å; L269-V326 HydrophobicContact CD2-CG1 4.28Å; L317-V326 HydrophobicContact CD1-CG1 4.11Å; L317-V326 HydrophobicContact CD1-CG2 3.69Å; L317-V326 HydrophobicContact CD2-CG1 4.47Å; L317-V326 HydrophobicContact CD2-CG2 4.31Å; K324-V326 HydrophobicContact CD-CG2 3.94Å; K324-V326 HydrophobicContact CG-CG2 3.95Å; V326-A328 HydrophobicContact CG1-CB 4.48Å; V326-L341 HydrophobicContact CB-CD1 4.4Å; V326-L341 HydrophobicContact CG1-CD1 3.8Å; V326-W345 HydrophobicContact CB-CH2 4.25Å; V326-W345 HydrophobicContact CB-CZ3 4.44Å; V326-W345 HydrophobicContact CG2-CH2 3.62Å; V326-W345 HydrophobicContact CG2-CZ3 4.23Å
327L97.3Very high93Very high0 Ų028.6 Ų28.60%016%0.161CC..EExtended strand (participates in β ladder)trans-83.8111.4164.2-56.5178000106.8I235 V237 V243 A247 L250 A267 L268 L269I235-L327 HydrophobicContact CB-CD2 3.75Å; I235-L327 HydrophobicContact CD1-CD2 3.82Å; I235-L327 HydrophobicContact CG1-CD2 4.2Å; I235-L327 HydrophobicContact CG2-CD2 4Å; V237-L327 HydrophobicContact CG1-CD2 4.35Å; V237-L327 HydrophobicContact CG2-CB 4.06Å; V243-L327 HydrophobicContact CG2-CD1 4.29Å; A247-L327 HydrophobicContact CB-CD1 4.01Å; L250-L327 HydrophobicContact CD1-CD1 4.4Å; L250-L327 HydrophobicContact CD1-CD2 3.82Å; L250-L327 HydrophobicContact CD1-CG 4.42Å; A267-L327 PolarHBondContact O-N 2.96Å; L268-L327 WeakPolarHBondContact CA-O 3.13Å; L268-L327 HydrophobicContact CD1-CD1 4.3Å; L268-L327 HydrophobicContact CG-CB 4.44Å; L269-L327 PolarHBondContact N-O 3.41Å
328A96Very high93.1Very high0 Ų028.2 Ų28.20%016%0.158CC..EExtended strand (participates in β ladder)trans-113.1137.6-178.300000110.6L234 I235 V237 V326 L341L234-A328 HydrophobicContact CD1-CB 3.66Å; I235-A328 PolarHBondContact O-N 2.96Å; V237-A328 WeakPolarHBondContact CG2-O 3.43Å; V237-A328 PolarHBondContact N-O 3.45Å; V326-A328 HydrophobicContact CG1-CB 4.48Å; A328-L341 HydrophobicContact CB-CD1 4.1Å
329S91Very high93.1Very high0 Ų025.5 Ų25.50%013%0.131CC..EExtended strand (participates in β ladder)trans-69.6156.7177.561.60000113.1D100 V237 L269 N270 S338D100-S329 WeakPolarHBondContact OD2-CB 3.38Å; D100-S329 PolarHBondContact OD2-OG 3.47Å; V237-S329 CarbonylContact O-C 3.46Å; V237-S329 WeakPolarHBondContact O-CA 3.17Å; L269-S329 PolarHBondContact O-N 3.41Å; N270-S329 WeakPolarHBondContact OD1-CB 3.49Å; N270-S329 PolarHBondContact OD1-N 3.01Å; S329-S338 WeakPolarHBondContact O-CB 3.44Å
330Q91.4Very high93.1Very high12 Ų1218 Ų186%0.05611%0.106CC..  trans78.398.7-171.1-50.1-58.1-40.300112V237 D332 C335 S338V237-Q330 CarbonylContact O-C 3.56Å; V237-Q330 PolarHBondContact O-N 3.13Å; Q330-D332 VanDerWaalsContact C-N 3.27Å; Q330-D332 PolarHBondContact O-N 3.02Å; Q330-C335 WeakPolarHBondContact CB-O 3.42Å; Q330-S338 WeakPolarHBondContact O-CB 3.34Å; Q330-S338 PolarHBondContact O-OG 3.4Å; Q330-S338 VanDerWaalsContact O-OG 3.1Å
331P92.9Very high93.2Very high23 Ų2317.2 Ų17.215%0.14910%0.101CC..THydrogen-bonded Turntrans-73.9-18.7-177.628.7-32.9000113.3Y357 T359 A365P331-Y357 HydrophobicContact CB-CG 4.47Å; P331-T359 HydrophobicContact CB-CG2 4.11Å; P331-T359 HydrophobicContact CG-CG2 4.04Å; P331-A365 VanDerWaalsContact O-CB 3.24Å; P331-A365 WeakPolarHBondContact O-CB 3.45Å
332D92.5Very high93.4Very high3 Ų313 Ų132%0.0167%0.073CC..THydrogen-bonded Turntrans-80.8-13.6-17460.41.8000114.3E38 Q330 E334 T359 T363 A365E38-D332 WeakPolarHBondContact CB-OD2 3.34Å; E38-D332 HydrophobicContact CG-CB 4.25Å; E38-D332 WeakPolarHBondContact CG-OD2 3.24Å; Q330-D332 VanDerWaalsContact C-N 3.27Å; Q330-D332 PolarHBondContact O-N 3.02Å; D332-E334 HydrophobicContact CB-CB 4.46Å; D332-E334 HydrophobicContact CB-CG 4.2Å; D332-E334 PolarHBondContact O-N 3.06Å; D332-E334 PolarHBondContact OD1-N 3.03Å; D332-E334 WeakPolarHBondContact OD2-CB 3.33Å; D332-T359 HydrophobicContact CB-CG2 3.88Å; D332-T363 HydrophobicContact CB-CG2 4Å; D332-A365 VanDerWaalsContact C-CB 3.47Å; D332-A365 VanDerWaalsContact O-CB 3.25Å; D332-A365 WeakPolarHBondContact O-CB 3.36Å; D332-A365 PolarHBondContact O-N 3.31Å
333L93.3Very high93.5Very high0 Ų010.8 Ų10.80%06%0.055CC..SBendtrans58.322-170.5-61.3172000113.8A236 S338 R339 F342 L355 L364 A365 L368A236-L333 HydrophobicContact CB-CD2 4.36Å; L333-S338 WeakPolarHBondContact CD2-O 3.28Å; L333-S338 WeakPolarHBondContact CD2-OG 3.46Å; L333-R339 WeakPolarHBondContact O-CB 3.49Å; L333-R339 WeakPolarHBondContact O-CD 3.28Å; L333-R339 WeakPolarHBondContact O-CG 3.38Å; L333-F342 HydrophobicContact CD1-CD2 3.82Å; L333-F342 HydrophobicContact CD1-CE2 4.17Å; L333-F342 HydrophobicContact CD1-CG 4.23Å; L333-F342 HydrophobicContact CD2-CB 3.93Å; L333-F342 HydrophobicContact CD2-CD2 4.44Å; L333-F342 HydrophobicContact CD2-CG 4.35Å; L333-L355 HydrophobicContact CD1-CD2 3.82Å; L333-L355 HydrophobicContact CG-CD2 4.37Å; L333-L364 HydrophobicContact CB-CB 4.21Å; L333-L364 HydrophobicContact CB-CD2 4Å; L333-L364 HydrophobicContact CB-CG 4.23Å; L333-A365 HydrophobicContact CB-CB 4.48Å; L333-A365 HydrophobicContact CD1-CB 4.27Å; L333-A365 HydrophobicContact CG-CB 4.25Å; L333-L368 HydrophobicContact CD1-CD1 3.7Å
334E90.8Very high93.4Very high40 Ų4015.3 Ų15.319%0.1878%0.075CC..SBendtrans-88.7-33.4-179.5-73.1-56.9147.300113.1D332 R339 T363 L364D332-E334 HydrophobicContact CB-CB 4.46Å; D332-E334 HydrophobicContact CB-CG 4.2Å; D332-E334 PolarHBondContact O-N 3.06Å; D332-E334 PolarHBondContact OD1-N 3.03Å; D332-E334 WeakPolarHBondContact OD2-CB 3.33Å; E334-R339 WeakPolarHBondContact O-CD 3.49Å; E334-R339 PolarHBondContact O-NH1 3Å; E334-R339 IonicContact OE2-NH1 3.86Å; E334-R339 PolarHBondContact OE2-NH1 3.43Å; E334-T363 HydrophobicContact CG-CG2 4Å; E334-T363 WeakPolarHBondContact OE1-CA 3.28Å; E334-L364 PolarHBondContact OE1-N 3.27Å
335C90.5Very high93.4Very high1 Ų115.8 Ų15.81%0.0078%0.076CC..SBendtrans-145.3177.8178.167.10000112.1R105 Q330R105-C335 HydrophobicContact CG-CB 3.99Å; Q330-C335 WeakPolarHBondContact CB-O 3.42Å
336G90.1Very high93.2Very high3 Ų315.8 Ų15.83%0.0318%0.076CC..Hα-helixtrans69.4-166175.500000114.7S338 R339 D340G336-S338 VanDerWaalsContact C-N 3.3Å; G336-S338 PolarHBondContact O-N 2.96Å; G336-R339 PolarHBondContact O-N 3.22Å; G336-D340 PolarHBondContact O-N 2.67Å
337F92.6Very high92.9Very high14 Ų1420.9 Ų20.96%0.06110%0.1CC..Hα-helixtrans-70.5-24.9-170.7-60.8-61.1000114L269 N271 H312 L314 R339 D340 L341L269-F337 HydrophobicContact CD1-CD2 4.08Å; L269-F337 HydrophobicContact CD1-CE2 4.27Å; L269-F337 HydrophobicContact CD1-CG 4.26Å; L269-F337 HydrophobicContact CD2-CB 3.47Å; L269-F337 VanDerWaalsContact CD2-CB 3.47Å; L269-F337 HydrophobicContact CD2-CD1 4.24Å; L269-F337 HydrophobicContact CD2-CD2 4.25Å; L269-F337 HydrophobicContact CD2-CG 3.75Å; L269-F337 HydrophobicContact CG-CB 3.77Å; L269-F337 HydrophobicContact CG-CD1 4.44Å; L269-F337 HydrophobicContact CG-CD2 3.68Å; L269-F337 HydrophobicContact CG-CE2 4.36Å; L269-F337 HydrophobicContact CG-CG 3.71Å; N271-F337 WeakPolarHBondContact OD1-CE2 3.2Å; N271-F337 WeakPolarHBondContact OD1-CZ 3.49Å; H312-F337 WeakPolarHBondContact O-CE2 3.42Å; H312-F337 VanDerWaalsContact O-CZ 3.25Å; H312-F337 WeakPolarHBondContact O-CZ 3.27Å; L314-F337 HydrophobicContact CD2-CD1 3.89Å; L314-F337 HydrophobicContact CD2-CE1 4.49Å; L314-F337 HydrophobicContact CG-CD1 3.85Å; L314-F337 HydrophobicContact CG-CE1 4.01Å; F337-R339 VanDerWaalsContact C-N 3.33Å; F337-D340 PolarHBondContact O-N 3.38Å; F337-L341 VanDerWaalsContact O-CB 3.31Å; F337-L341 WeakPolarHBondContact O-CB 3.15Å; F337-L341 WeakPolarHBondContact O-CG 3.19Å; F337-L341 PolarHBondContact O-N 2.99Å
338S94.6Very high92.8Very high0 Ų024.2 Ų24.20%012%0.118CC..Hα-helixtrans-62.6-42.3175.7-170.20000110.8A236 S329 Q330 L333 G336 F342A236-S338 WeakPolarHBondContact CB-OG 3.34Å; S329-S338 WeakPolarHBondContact O-CB 3.44Å; Q330-S338 WeakPolarHBondContact O-CB 3.34Å; Q330-S338 PolarHBondContact O-OG 3.4Å; Q330-S338 VanDerWaalsContact O-OG 3.1Å; L333-S338 WeakPolarHBondContact CD2-O 3.28Å; L333-S338 WeakPolarHBondContact CD2-OG 3.46Å; G336-S338 VanDerWaalsContact C-N 3.3Å; G336-S338 PolarHBondContact O-N 2.96Å; S338-F342 VanDerWaalsContact O-CB 3.25Å; S338-F342 WeakPolarHBondContact O-CB 3.31Å; S338-F342 PolarHBondContact O-N 3.07Å
339R93.3Very high92.7Very high26 Ų2628.4 Ų28.410%0.09815%0.147CC..Hα-helixtrans-65.4-47.1173-174.5169.4-174133.34112.3L333 E334 G336 F337 L341 F342 I343 E380L333-R339 WeakPolarHBondContact O-CB 3.49Å; L333-R339 WeakPolarHBondContact O-CD 3.28Å; L333-R339 WeakPolarHBondContact O-CG 3.38Å; E334-R339 WeakPolarHBondContact O-CD 3.49Å; E334-R339 PolarHBondContact O-NH1 3Å; E334-R339 IonicContact OE2-NH1 3.86Å; E334-R339 PolarHBondContact OE2-NH1 3.43Å; G336-R339 PolarHBondContact O-N 3.22Å; F337-R339 VanDerWaalsContact C-N 3.33Å; R339-L341 VanDerWaalsContact C-N 3.34Å; R339-L341 PolarHBondContact O-N 3.22Å; R339-F342 WeakPolarHBondContact O-CB 3.41Å; R339-F342 PolarHBondContact O-N 3.41Å; R339-I343 HydrophobicContact CG-CD1 3.81Å; R339-I343 WeakPolarHBondContact O-CD1 3.44Å; R339-I343 VanDerWaalsContact O-CG1 3.32Å; R339-I343 WeakPolarHBondContact O-CG1 3.39Å; R339-I343 PolarHBondContact O-N 3Å; R339-E380 PolarHBondContact NH2-O 2.86Å
340D92.3Very high93Very high43 Ų4333.4 Ų33.423%0.2317%0.169CC..Hα-helixtrans-60.7-42.9-179.5-72.3-24000112.5L314 G336 F337 Q344L314-D340 HydrophobicContact CD1-CB 4.3Å; G336-D340 PolarHBondContact O-N 2.67Å; F337-D340 PolarHBondContact O-N 3.38Å; D340-Q344 VanDerWaalsContact O-CG 3.3Å; D340-Q344 WeakPolarHBondContact O-CG 3.43Å; D340-Q344 PolarHBondContact O-N 2.86Å; D340-Q344 VanDerWaalsContact O-N 3.13Å
341L94.5Very high93.2Very high1 Ų133.2 Ų33.21%0.00517%0.168CC..Hα-helixtrans-70.2-37.5177.2-74.9169000111.9L234 L269 L314 L317 V326 A328 F337 R339 Q344 W345L234-L341 HydrophobicContact CD1-CB 3.94Å; L234-L341 HydrophobicContact CD1-CD1 3.94Å; L234-L341 HydrophobicContact CD2-CB 4.05Å; L269-L341 HydrophobicContact CD2-CD1 3.6Å; L269-L341 HydrophobicContact CD2-CG 4.46Å; L314-L341 HydrophobicContact CD2-CD2 4.45Å; L314-L341 HydrophobicContact CD2-CG 4.45Å; L317-L341 HydrophobicContact CD2-CD1 4.08Å; L317-L341 HydrophobicContact CD2-CD2 3.65Å; L317-L341 HydrophobicContact CD2-CG 4.43Å; V326-L341 HydrophobicContact CB-CD1 4.4Å; V326-L341 HydrophobicContact CG1-CD1 3.8Å; A328-L341 HydrophobicContact CB-CD1 4.1Å; F337-L341 VanDerWaalsContact O-CB 3.31Å; F337-L341 WeakPolarHBondContact O-CB 3.15Å; F337-L341 WeakPolarHBondContact O-CG 3.19Å; F337-L341 PolarHBondContact O-N 2.99Å; R339-L341 VanDerWaalsContact C-N 3.34Å; R339-L341 PolarHBondContact O-N 3.22Å; L341-Q344 PolarHBondContact O-N 2.66Å; L341-W345 HydrophobicContact CD2-CD2 4.3Å; L341-W345 HydrophobicContact CD2-CH2 3.88Å; L341-W345 HydrophobicContact CD2-CZ2 3.53Å; L341-W345 HydrophobicContact CD2-CZ3 4.38Å; L341-W345 VanDerWaalsContact O-CB 3.29Å; L341-W345 WeakPolarHBondContact O-CB 3.37Å; L341-W345 PolarHBondContact O-N 2.75Å
342F94.9Very high93.4Very high0 Ų032.1 Ų32.10%016%0.161CC..Hα-helixtrans-57.4-51.3174.2175.8-92000110.7L234 L333 S338 R339 Q344 W345 C346 I353 L364 L368 I379 I531L234-F342 HydrophobicContact CD2-CB 3.99Å; L333-F342 HydrophobicContact CD1-CD2 3.82Å; L333-F342 HydrophobicContact CD1-CE2 4.17Å; L333-F342 HydrophobicContact CD1-CG 4.23Å; L333-F342 HydrophobicContact CD2-CB 3.93Å; L333-F342 HydrophobicContact CD2-CD2 4.44Å; L333-F342 HydrophobicContact CD2-CG 4.35Å; S338-F342 VanDerWaalsContact O-CB 3.25Å; S338-F342 WeakPolarHBondContact O-CB 3.31Å; S338-F342 PolarHBondContact O-N 3.07Å; R339-F342 WeakPolarHBondContact O-CB 3.41Å; R339-F342 PolarHBondContact O-N 3.41Å; F342-Q344 VanDerWaalsContact C-N 3.3Å; F342-Q344 PolarHBondContact O-N 2.8Å; F342-W345 PolarHBondContact O-N 2.89Å; F342-C346 HydrophobicContact CE1-CB 4.28Å; F342-C346 HydrophobicContact CE2-CB 4.32Å; F342-C346 HydrophobicContact CZ-CB 4.16Å; F342-C346 WeakPolarHBondContact O-CB 3.4Å; F342-C346 PolarHBondContact O-N 3.02Å; F342-C346 PolarHBondContact O-SG 3.32Å; F342-C346 VanDerWaalsContact O-SG 3.38Å; F342-I353 HydrophobicContact CD2-CD1 3.54Å; F342-I353 HydrophobicContact CD2-CG1 4.32Å; F342-I353 HydrophobicContact CD2-CG2 4.1Å; F342-I353 HydrophobicContact CE2-CD1 3.64Å; F342-I353 HydrophobicContact CE2-CG2 4.45Å; F342-L364 HydrophobicContact CD1-CD2 4.21Å; F342-L364 HydrophobicContact CE1-CD2 4.03Å; F342-L368 HydrophobicContact CD2-CD1 4.47Å; F342-L368 HydrophobicContact CE2-CD1 3.56Å; F342-L368 HydrophobicContact CZ-CD1 3.78Å; F342-L368 HydrophobicContact CZ-CD2 4.48Å; F342-I379 HydrophobicContact CD1-CD1 4.31Å; F342-I379 HydrophobicContact CE1-CD1 3.67Å; F342-I531 HydrophobicContact CZ-CD1 3.92Å; F342-I531 HydrophobicContact CZ-CG1 4.39Å
343I92.8Very high93.6Very high30 Ų3032 Ų3215%0.15416%0.161CC..Hα-helixtrans-57.6-43.3178-67.8157.8000110.9R339 L381 M529R339-I343 HydrophobicContact CG-CD1 3.81Å; R339-I343 WeakPolarHBondContact O-CD1 3.44Å; R339-I343 VanDerWaalsContact O-CG1 3.32Å; R339-I343 WeakPolarHBondContact O-CG1 3.39Å; R339-I343 PolarHBondContact O-N 3Å; I343-L381 HydrophobicContact CB-CD2 4.46Å; I343-L381 HydrophobicContact CD1-CD2 3.47Å; I343-L381 VanDerWaalsContact CD1-CD2 3.47Å; I343-L381 HydrophobicContact CG1-CD2 3.91Å; I343-L381 HydrophobicContact CG2-CD2 3.71Å; I343-M529 HydrophobicContact CB-SD 4.41Å; I343-M529 HydrophobicContact CG1-SD 4.35Å; I343-M529 HydrophobicContact CG2-CE 3.81Å; I343-M529 HydrophobicContact CG2-SD 3.87Å; I343-M529 VanDerWaalsContact O-CE 3.29Å; I343-M529 WeakPolarHBondContact O-CE 3.46Å
344Q91.9Very high93.8Very high111 Ų11132 Ų3252%0.51916%0.161SC..Hα-helixtrans-69.4-35-179.6-71.8173.339.700113.3D340 L341 F342D340-Q344 VanDerWaalsContact O-CG 3.3Å; D340-Q344 WeakPolarHBondContact O-CG 3.43Å; D340-Q344 PolarHBondContact O-N 2.86Å; D340-Q344 VanDerWaalsContact O-N 3.13Å; L341-Q344 PolarHBondContact O-N 2.66Å; F342-Q344 VanDerWaalsContact C-N 3.3Å; F342-Q344 PolarHBondContact O-N 2.8Å
345W94.2Very high94.1Very high24 Ų2430.1 Ų30.19%0.09115%0.152CC..Hα-helixtrans-105.6-16.8-167.4-66.2-2.9000114.2N232 L234 K324 V326 L341 F342 Q347 D348 N351N232-W345 HydrophobicContact CB-CD2 4.09Å; N232-W345 HydrophobicContact CB-CE3 3.84Å; N232-W345 HydrophobicContact CB-CH2 3.76Å; N232-W345 HydrophobicContact CB-CZ2 4.01Å; N232-W345 HydrophobicContact CB-CZ3 3.69Å; L234-W345 HydrophobicContact CB-CE3 3.86Å; L234-W345 HydrophobicContact CB-CZ3 3.98Å; K324-W345 HydrophobicContact CG-CH2 4.36Å; V326-W345 HydrophobicContact CB-CH2 4.25Å; V326-W345 HydrophobicContact CB-CZ3 4.44Å; V326-W345 HydrophobicContact CG2-CH2 3.62Å; V326-W345 HydrophobicContact CG2-CZ3 4.23Å; L341-W345 HydrophobicContact CD2-CD2 4.3Å; L341-W345 HydrophobicContact CD2-CH2 3.88Å; L341-W345 HydrophobicContact CD2-CZ2 3.53Å; L341-W345 HydrophobicContact CD2-CZ3 4.38Å; L341-W345 VanDerWaalsContact O-CB 3.29Å; L341-W345 WeakPolarHBondContact O-CB 3.37Å; L341-W345 PolarHBondContact O-N 2.75Å; F342-W345 PolarHBondContact O-N 2.89Å; W345-Q347 PolarHBondContact O-N 2.77Å; W345-D348 PolarHBondContact O-N 3.16Å; W345-N351 HydrophobicContact CB-CB 4.26Å; W345-N351 WeakPolarHBondContact CB-ND2 3.49Å; W345-N351 PolarHBondContact O-ND2 2.57Å; W345-N351 VanDerWaalsContact O-ND2 3.09Å
346C92.8Very high94.3Very high0 Ų030.2 Ų30.20%015%0.152CC..THydrogen-bonded Turntrans-65.2-25.4-174.869.70000113.7F342 I353 K532 A533F342-C346 HydrophobicContact CE1-CB 4.28Å; F342-C346 HydrophobicContact CE2-CB 4.32Å; F342-C346 HydrophobicContact CZ-CB 4.16Å; F342-C346 WeakPolarHBondContact O-CB 3.4Å; F342-C346 PolarHBondContact O-N 3.02Å; F342-C346 PolarHBondContact O-SG 3.32Å; F342-C346 VanDerWaalsContact O-SG 3.38Å; C346-I353 HydrophobicContact CB-CD1 4.12Å; C346-K532 PolarHBondContact O-N 3.49Å; C346-A533 WeakPolarHBondContact O-CB 3.31Å; C346-A533 PolarHBondContact O-N 2.9Å
347Q92.4Very high94.5Very high108 Ų10830.7 Ų30.751%0.50515%0.154SC..THydrogen-bonded Turntrans-81.6-12.6-178.1-63.9-174.1-9.800114W345 M529 K532W345-Q347 PolarHBondContact O-N 2.77Å; Q347-M529 HydrophobicContact CG-CE 4.07Å; Q347-M529 VanDerWaalsContact NE2-CE 3.28Å; Q347-K532 WeakPolarHBondContact O-CD 3.37Å
348D94.4Very high94.5Very high69 Ų6931.1 Ų31.137%0.36916%0.155SC..  trans-98.9123.1178.3-171-14.6000110.5W345 K350 N351 A533W345-D348 PolarHBondContact O-N 3.16Å; D348-K350 PolarHBondContact O-N 2.72Å; D348-K350 WeakPolarHBondContact OD1-CB 3.44Å; D348-K350 PolarHBondContact OD1-N 3.13Å; D348-N351 PolarHBondContact O-N 3.18Å; D348-A533 WeakPolarHBondContact O-CA 3.44Å; D348-A533 WeakPolarHBondContact O-CB 3.02Å; D348-A533 PolarHBondContact O-N 3.04Å
349S94.7Very high94.3Very high88 Ų8831.3 Ų31.362%0.61516%0.156SC*.THydrogen-bonded Turntrans-66.5-16179.1570000114.5N351 K532S349-N351 VanDerWaalsContact C-N 3.34Å; S349-K532 WeakPolarHBondContact CA-O 3.36Å
350K95.3Very high94.1Very high105 Ų10530.4 Ų30.446%0.45715%0.153SC..THydrogen-bonded Turntrans-76.2-25.7176.2-64.4-179.7179.7-176.30112.4T226 D348T226-K350 WeakPolarHBondContact CG2-O 3.31Å; D348-K350 PolarHBondContact O-N 2.72Å; D348-K350 WeakPolarHBondContact OD1-CB 3.44Å; D348-K350 PolarHBondContact OD1-N 3.13Å
351N96.6Very high93.9Very high8 Ų832.2 Ų32.24%0.04317%0.167CC..  trans-80.1157.3-175.1-65.6-28.6000111.8N232 W345 D348 S349 A533 R534N232-N351 PolarHBondContact N-OD1 3.03Å; N232-N351 WeakPolarHBondContact O-CA 3.08Å; W345-N351 HydrophobicContact CB-CB 4.26Å; W345-N351 WeakPolarHBondContact CB-ND2 3.49Å; W345-N351 PolarHBondContact O-ND2 2.57Å; W345-N351 VanDerWaalsContact O-ND2 3.09Å; D348-N351 PolarHBondContact O-N 3.18Å; S349-N351 VanDerWaalsContact C-N 3.34Å; N351-A533 HydrophobicContact CB-CB 4.18Å; N351-A533 WeakPolarHBondContact O-CA 3.47Å; N351-R534 PolarHBondContact O-N 3.11Å
352S97Very high93.6Very high0 Ų035.4 Ų35.40%020%0.2CC..EExtended strand (participates in β ladder)trans-128139.8174.2-170.70000110.3N222 T226 N232 V233 L234 R534N222-S352 PolarHBondContact OD1-OG 3.12Å; T226-S352 WeakPolarHBondContact OG1-CB 3.05Å; N232-S352 PolarHBondContact O-N 3Å; V233-S352 WeakPolarHBondContact CA-O 3.28Å; L234-S352 PolarHBondContact N-O 2.89Å; S352-R534 CarbonylContact C-O 3.51Å; S352-R534 VanDerWaalsContact CA-O 3.32Å; S352-R534 WeakPolarHBondContact CA-O 3.33Å; S352-R534 PolarHBondContact OG-O 3.09Å
353I96.8Very high93.4Very high0 Ų035.5 Ų35.50%020%0.201CC..EExtended strand (participates in β ladder)trans-120.6116.4178.7-63.3154.8000106.8L234 F342 C346 L355 A533 R534 V535 T536L234-I353 HydrophobicContact CB-CG1 4.31Å; L234-I353 HydrophobicContact CD2-CG1 4.4Å; L234-I353 HydrophobicContact CD2-CG2 4.33Å; L234-I353 CarbonylContact O-C 3.57Å; L234-I353 WeakPolarHBondContact O-CA 3.29Å; F342-I353 HydrophobicContact CD2-CD1 3.54Å; F342-I353 HydrophobicContact CD2-CG1 4.32Å; F342-I353 HydrophobicContact CD2-CG2 4.1Å; F342-I353 HydrophobicContact CE2-CD1 3.64Å; F342-I353 HydrophobicContact CE2-CG2 4.45Å; C346-I353 HydrophobicContact CB-CD1 4.12Å; I353-L355 HydrophobicContact CG2-CD2 4.34Å; I353-A533 HydrophobicContact CD1-CB 3.85Å; I353-A533 HydrophobicContact CG1-CB 4.47Å; I353-R534 PolarHBondContact N-O 3.18Å; I353-V535 HydrophobicContact CB-CG2 4.31Å; I353-V535 HydrophobicContact CD1-CG2 4.23Å; I353-V535 CarbonylContact O-C 3.59Å; I353-V535 WeakPolarHBondContact O-CA 3.09Å; I353-T536 PolarHBondContact O-N 2.92Å
354I97.3Very high93.4Very high0 Ų034.8 Ų34.80%020%0.197CC..EExtended strand (participates in β ladder)trans-109.1114.6-176.6-55-177.2000108.4L219 N222 V223 V233 L234 I235 A236 T356 T536 I538L219-I354 HydrophobicContact CD1-CD1 3.73Å; L219-I354 HydrophobicContact CD1-CG2 4.1Å; N222-I354 HydrophobicContact CB-CD1 4.27Å; V223-I354 HydrophobicContact CG2-CD1 4.02Å; V233-I354 HydrophobicContact CG1-CD1 3.73Å; V233-I354 HydrophobicContact CG1-CG1 4.08Å; L234-I354 PolarHBondContact O-N 3.31Å; I235-I354 WeakPolarHBondContact CA-O 3.43Å; I235-I354 HydrophobicContact CG1-CB 4.25Å; I235-I354 HydrophobicContact CG1-CD1 4.45Å; I235-I354 HydrophobicContact CG2-CB 4.42Å; A236-I354 PolarHBondContact N-O 2.86Å; I354-T356 HydrophobicContact CG2-CG2 4.16Å; I354-T536 WeakPolarHBondContact CA-O 2.98Å; I354-I538 HydrophobicContact CG2-CB 4.24Å; I354-I538 HydrophobicContact CG2-CD1 3.97Å; I354-I538 HydrophobicContact CG2-CG1 4.25Å
355L96.9Very high93.4Very high1 Ų129.5 Ų29.51%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-91.3125.3174.6-58.9178.2000108.5A236 L333 I353 A365 L368 I369 V535 T536 Y537 I538A236-L355 HydrophobicContact CB-CD2 3.91Å; L333-L355 HydrophobicContact CD1-CD2 3.82Å; L333-L355 HydrophobicContact CG-CD2 4.37Å; I353-L355 HydrophobicContact CG2-CD2 4.34Å; L355-A365 HydrophobicContact CD1-CB 4.42Å; L355-A365 HydrophobicContact CD2-CB 4.25Å; L355-L368 HydrophobicContact CD1-CB 3.8Å; L355-L368 HydrophobicContact CD1-CD1 4.38Å; L355-I369 HydrophobicContact CB-CG1 4.45Å; L355-I369 HydrophobicContact CD1-CD1 4.34Å; L355-I369 HydrophobicContact CD1-CG1 3.73Å; L355-V535 HydrophobicContact CD1-CG1 4.14Å; L355-V535 HydrophobicContact CG-CG1 4.45Å; L355-T536 PolarHBondContact N-O 2.88Å; L355-Y537 HydrophobicContact CB-CD2 4.2Å; L355-Y537 WeakPolarHBondContact O-CA 3.37Å; L355-Y537 WeakPolarHBondContact O-CD2 3.29Å; L355-I538 PolarHBondContact O-N 3.18Å
356T95.6Very high93.4Very high3 Ų329.7 Ų29.72%0.01817%0.173CC..  trans-108.9-12.3-17266.50000114.5I235 A236 V237 L246 I354 I538 Y540I235-T356 HydrophobicContact CG2-CG2 3.39Å; A236-T356 PolarHBondContact O-OG1 2.83Å; V237-T356 HydrophobicContact CG1-CG2 4.38Å; L246-T356 HydrophobicContact CD1-CG2 3.81Å; I354-T356 HydrophobicContact CG2-CG2 4.16Å; T356-I538 WeakPolarHBondContact CA-O 3.33Å; T356-Y540 CarbonylContact O-C 3.55Å; T356-Y540 PolarHBondContact O-N 3.42Å
357Y93.4Very high93.4Very high14 Ų1433 Ų336%0.05519%0.188CC..SBendtrans-135.2146.1-174.6-163.2-89.6000109.8P331 T359 E541 R543P331-Y357 HydrophobicContact CB-CG 4.47Å; Y357-T359 HydrophobicContact CD1-CG2 3.9Å; Y357-E541 HydrophobicContact CD2-CB 3.83Å; Y357-E541 HydrophobicContact CE2-CB 3.99Å; Y357-R543 PolarHBondContact OH-NH1 3.48Å; Y357-R543 PolarHBondContact OH-NH2 2.93Å
358R92.1Very high93.4Very high23 Ų2328.3 Ų28.39%0.08717%0.166CC..  trans-97.7107.2175.5-162.4-168.6-41.7146.714.3108.1F203 N204 R366 I369 E541F203-R358 HydrophobicContact CZ-CB 4.37Å; F203-R358 HydrophobicContact CZ-CG 4.46Å; N204-R358 PolarHBondContact OD1-NH1 2.87Å; N204-R358 PolarHBondContact OD1-NH2 3.25Å; R358-R366 VanDerWaalsContact CD-CZ 3.42Å; R358-I369 HydrophobicContact CG-CD1 4.48Å; R358-E541 IonicContact NH2-OE1 3.96Å; R358-E541 PolarHBondContact NH2-OE1 3.3Å
359T90.7Very high93.3Very high3 Ų326.5 Ų26.52%0.01816%0.156CC..  trans-89.2177.4-17751.90000111.7P331 D332 Y357 T363 R366P331-T359 HydrophobicContact CB-CG2 4.11Å; P331-T359 HydrophobicContact CG-CG2 4.04Å; D332-T359 HydrophobicContact CB-CG2 3.88Å; Y357-T359 HydrophobicContact CD1-CG2 3.9Å; T359-T363 PolarHBondContact OG1-OG1 3.13Å; T359-R366 WeakPolarHBondContact O-CD 3.39Å; T359-R366 PolarHBondContact O-NE 3.32Å
360T89.5Confident93.1Very high8 Ų826.5 Ų26.55%0.04915%0.149CC..  trans-58.4144.4179.954.60000112.9E16 E38 L66 G362 T363 R366E16-T360 WeakPolarHBondContact O-CG2 3.43Å; E38-T360 PolarHBondContact OE1-N 3.11Å; E38-T360 PolarHBondContact OE1-OG1 3.11Å; E38-T360 VanDerWaalsContact OE2-CB 3.32Å; E38-T360 WeakPolarHBondContact OE2-CB 3.43Å; E38-T360 WeakPolarHBondContact OE2-CG2 3.45Å; E38-T360 PolarHBondContact OE2-OG1 3.33Å; L66-T360 HydrophobicContact CD2-CG2 4.33Å; T360-G362 PolarHBondContact O-N 3.42Å; T360-T363 PolarHBondContact O-N 2.84Å; T360-T363 PolarHBondContact O-OG1 3.13Å; T360-T363 WeakPolarHBondContact OG1-CG2 3.43Å; T360-R366 WeakPolarHBondContact O-CB 3.49Å
361P88.6Confident92.8Very high80 Ų8024.6 Ų24.652%0.51914%0.144SC..THydrogen-bonded Turntrans-53.4130.8168.6-25.834.5000111.8E16E16-P361 HydrophobicContact CB-CG 4.19Å
362G87.1Confident92.1Very high68 Ų6829.2 Ų29.270%0.70118%0.175SC*.THydrogen-bonded Turntrans105.5-8.5-177.500000114.6T360T360-G362 PolarHBondContact O-N 3.42Å
363T91.8Very high91.3Very high2 Ų234.4 Ų34.41%0.01221%0.211CC..SBendtrans-85.3154.2172.257.40000112.4E38 D332 E334 T359 T360 A365 R366 F367E38-T363 HydrophobicContact CB-CG2 4.2Å; E38-T363 HydrophobicContact CG-CG2 4.49Å; D332-T363 HydrophobicContact CB-CG2 4Å; E334-T363 HydrophobicContact CG-CG2 4Å; E334-T363 WeakPolarHBondContact OE1-CA 3.28Å; T359-T363 PolarHBondContact OG1-OG1 3.13Å; T360-T363 PolarHBondContact O-N 2.84Å; T360-T363 PolarHBondContact O-OG1 3.13Å; T360-T363 WeakPolarHBondContact OG1-CG2 3.43Å; T363-A365 PolarHBondContact O-N 3.33Å; T363-R366 PolarHBondContact O-N 3Å; T363-R366 VanDerWaalsContact OG1-CB 3.31Å; T363-R366 WeakPolarHBondContact OG1-CB 3.5Å; T363-R366 PolarHBondContact OG1-N 3.15Å; T363-F367 PolarHBondContact O-N 3.36Å
364L92.1Very high90.3Very high16 Ų1639.1 Ų39.18%0.08423%0.233CC..Hα-helixtrans-59.3-43.3177.7179.560.9000112.1L333 E334 F342 R366 F367 L368 I377 I379L333-L364 HydrophobicContact CB-CB 4.21Å; L333-L364 HydrophobicContact CB-CD2 4Å; L333-L364 HydrophobicContact CB-CG 4.23Å; E334-L364 PolarHBondContact OE1-N 3.27Å; F342-L364 HydrophobicContact CD1-CD2 4.21Å; F342-L364 HydrophobicContact CE1-CD2 4.03Å; L364-R366 VanDerWaalsContact C-N 3.34Å; L364-R366 PolarHBondContact O-N 3.28Å; L364-F367 WeakPolarHBondContact O-CB 3.23Å; L364-F367 PolarHBondContact O-N 2.84Å; L364-L368 HydrophobicContact CG-CD1 4.4Å; L364-L368 WeakPolarHBondContact O-CG 3.36Å; L364-L368 PolarHBondContact O-N 2.89Å; L364-L368 VanDerWaalsContact O-N 3.08Å; L364-I377 HydrophobicContact CD1-CD1 4.08Å; L364-I377 HydrophobicContact CD1-CG2 4.09Å; L364-I379 HydrophobicContact CD2-CD1 4.28Å
365A92.9Very high89.4Confident0 Ų045.5 Ų45.50%026%0.261CS..Hα-helixtrans-61.2-42.7176.600000112P331 D332 L333 L355 T363 F367 L368 I369P331-A365 VanDerWaalsContact O-CB 3.24Å; P331-A365 WeakPolarHBondContact O-CB 3.45Å; D332-A365 VanDerWaalsContact C-CB 3.47Å; D332-A365 VanDerWaalsContact O-CB 3.25Å; D332-A365 WeakPolarHBondContact O-CB 3.36Å; D332-A365 PolarHBondContact O-N 3.31Å; L333-A365 HydrophobicContact CB-CB 4.48Å; L333-A365 HydrophobicContact CD1-CB 4.27Å; L333-A365 HydrophobicContact CG-CB 4.25Å; L355-A365 HydrophobicContact CD1-CB 4.42Å; L355-A365 HydrophobicContact CD2-CB 4.25Å; T363-A365 PolarHBondContact O-N 3.33Å; A365-F367 PolarHBondContact O-N 2.88Å; A365-L368 PolarHBondContact O-N 3.45Å; A365-I369 VanDerWaalsContact O-CG1 3.3Å; A365-I369 WeakPolarHBondContact O-CG1 3.5Å; A365-I369 PolarHBondContact O-N 3.24Å; A365-I369 VanDerWaalsContact O-N 3.09Å
366R92.6Very high88.9Confident28 Ų2849.7 Ų49.711%0.10629%0.286CS..Hα-helixtrans-63.4-42.2178-169.656.5154.9131.6-3.1111.7E16 R358 T359 T360 T363 L364 L368 I369 D370E16-R366 IonicContact OE1-NH2 3.32Å; E16-R366 PolarHBondContact OE1-NH2 3.3Å; E16-R366 IonicContact OE2-CZ 2.92Å; E16-R366 IonicContact OE2-NE 3.73Å; E16-R366 IonicContact OE2-NH2 3Å; E16-R366 PolarHBondContact OE2-NH2 2.82Å; R358-R366 VanDerWaalsContact CD-CZ 3.42Å; T359-R366 WeakPolarHBondContact O-CD 3.39Å; T359-R366 PolarHBondContact O-NE 3.32Å; T360-R366 WeakPolarHBondContact O-CB 3.49Å; T363-R366 PolarHBondContact O-N 3Å; T363-R366 VanDerWaalsContact OG1-CB 3.31Å; T363-R366 WeakPolarHBondContact OG1-CB 3.5Å; T363-R366 PolarHBondContact OG1-N 3.15Å; L364-R366 VanDerWaalsContact C-N 3.34Å; L364-R366 PolarHBondContact O-N 3.28Å; R366-L368 VanDerWaalsContact C-N 3.31Å; R366-L368 PolarHBondContact O-N 3.5Å; R366-I369 PolarHBondContact O-N 2.77Å; R366-I369 VanDerWaalsContact O-N 3.15Å; R366-D370 IonicContact CZ-OD1 2.81Å; R366-D370 IonicContact CZ-OD2 3.91Å; R366-D370 IonicContact NE-OD2 3.67Å; R366-D370 IonicContact NH1-OD1 3.84Å; R366-D370 PolarHBondContact NH1-OD1 2.88Å; R366-D370 IonicContact NH1-OD2 3.16Å; R366-D370 PolarHBondContact NH1-OD2 2.96Å; R366-D370 PolarHBondContact O-N 2.84Å
367F93.1Very high88.5Confident69 Ų6950.3 Ų50.330%0.30329%0.289SS..Hα-helixtrans-57.6-42.5174.5180-94.7000112.7T363 L364 A365 I369 D370 N371 E374 I377T363-F367 PolarHBondContact O-N 3.36Å; L364-F367 WeakPolarHBondContact O-CB 3.23Å; L364-F367 PolarHBondContact O-N 2.84Å; A365-F367 PolarHBondContact O-N 2.88Å; F367-I369 VanDerWaalsContact C-N 3.33Å; F367-I369 PolarHBondContact O-N 3.46Å; F367-D370 PolarHBondContact O-N 2.98Å; F367-N371 HydrophobicContact CE2-CB 4.45Å; F367-N371 HydrophobicContact CZ-CB 4.39Å; F367-N371 WeakPolarHBondContact O-CB 3.4Å; F367-N371 PolarHBondContact O-N 3.23Å; F367-E374 HydrophobicContact CE1-CB 4.45Å; F367-E374 HydrophobicContact CZ-CB 4.47Å; F367-E374 VanDerWaalsContact CZ-OE2 3.28Å; F367-E374 WeakPolarHBondContact CZ-OE2 3.39Å; F367-I377 HydrophobicContact CD1-CD1 3.67Å; F367-I377 HydrophobicContact CE1-CD1 3.5Å; F367-I377 VanDerWaalsContact CE1-CD1 3.5Å; F367-I377 HydrophobicContact CE1-CG1 3.93Å
368L92.3Very high88.1Confident10 Ų1054.9 Ų54.95%0.05231%0.314CS..Hα-helixtrans-68.5-29.2177.8-69.2172.2000113.6L333 F342 L355 L364 A365 R366 I377 I531 V535L333-L368 HydrophobicContact CD1-CD1 3.7Å; F342-L368 HydrophobicContact CD2-CD1 4.47Å; F342-L368 HydrophobicContact CE2-CD1 3.56Å; F342-L368 HydrophobicContact CZ-CD1 3.78Å; F342-L368 HydrophobicContact CZ-CD2 4.48Å; L355-L368 HydrophobicContact CD1-CB 3.8Å; L355-L368 HydrophobicContact CD1-CD1 4.38Å; L364-L368 HydrophobicContact CG-CD1 4.4Å; L364-L368 WeakPolarHBondContact O-CG 3.36Å; L364-L368 PolarHBondContact O-N 2.89Å; L364-L368 VanDerWaalsContact O-N 3.08Å; A365-L368 PolarHBondContact O-N 3.45Å; R366-L368 VanDerWaalsContact C-N 3.31Å; R366-L368 PolarHBondContact O-N 3.5Å; L368-I377 HydrophobicContact CD2-CD1 3.65Å; L368-I377 HydrophobicContact CG-CD1 4.49Å; L368-I531 HydrophobicContact CD2-CD1 3.64Å; L368-V535 HydrophobicContact CB-CG1 4.24Å
369I92.9Very high87.7Confident31 Ų3154 Ų5416%0.15931%0.312CS..Hα-helixtrans-71.6-46.2175.6-66.6166.9000110.1L355 R358 A365 R366 F367 Y537L355-I369 HydrophobicContact CB-CG1 4.45Å; L355-I369 HydrophobicContact CD1-CD1 4.34Å; L355-I369 HydrophobicContact CD1-CG1 3.73Å; R358-I369 HydrophobicContact CG-CD1 4.48Å; A365-I369 VanDerWaalsContact O-CG1 3.3Å; A365-I369 WeakPolarHBondContact O-CG1 3.5Å; A365-I369 PolarHBondContact O-N 3.24Å; A365-I369 VanDerWaalsContact O-N 3.09Å; R366-I369 PolarHBondContact O-N 2.77Å; R366-I369 VanDerWaalsContact O-N 3.15Å; F367-I369 VanDerWaalsContact C-N 3.33Å; F367-I369 PolarHBondContact O-N 3.46Å; I369-Y537 HydrophobicContact CD1-CD2 3.68Å; I369-Y537 HydrophobicContact CD1-CE2 3.98Å; I369-Y537 HydrophobicContact CD1-CG 4.36Å; I369-Y537 HydrophobicContact CG1-CD2 3.88Å; I369-Y537 HydrophobicContact CG1-CG 4.13Å; I369-Y537 HydrophobicContact CG2-CD1 4.39Å; I369-Y537 HydrophobicContact CG2-CG 4.18Å
370D90.6Very high87.5Confident87 Ų8756.7 Ų56.747%0.46532%0.324SS..Hα-helixtrans-81.7-32.2-172.1-61.9-20.1000112.3R366 F367 P372R366-D370 IonicContact CZ-OD1 2.81Å; R366-D370 IonicContact CZ-OD2 3.91Å; R366-D370 IonicContact NE-OD2 3.67Å; R366-D370 IonicContact NH1-OD1 3.84Å; R366-D370 PolarHBondContact NH1-OD1 2.88Å; R366-D370 IonicContact NH1-OD2 3.16Å; R366-D370 PolarHBondContact NH1-OD2 2.96Å; R366-D370 PolarHBondContact O-N 2.84Å; F367-D370 PolarHBondContact O-N 2.98Å; D370-P372 VanDerWaalsContact O-CD 3.23Å; D370-P372 WeakPolarHBondContact O-CD 3.29Å
371N89.2Confident87Confident66 Ų6658.1 Ų58.135%0.35333%0.331SS..  trans-119.165.2-177.1-60.4-59.4000113.4F367 S373 E374F367-N371 HydrophobicContact CE2-CB 4.45Å; F367-N371 HydrophobicContact CZ-CB 4.39Å; F367-N371 WeakPolarHBondContact O-CB 3.4Å; F367-N371 PolarHBondContact O-N 3.23Å; N371-S373 PolarHBondContact O-N 2.84Å; N371-E374 HydrophobicContact CB-CG 4.29Å; N371-E374 PolarHBondContact O-N 3.19Å
372P81.9Confident86.7Confident105 Ų10558.5 Ų58.568%0.68232%0.322SS*.THydrogen-bonded Turntrans-69.4-9-175.629.5-37.2000114.7D370D370-P372 VanDerWaalsContact O-CD 3.23Å; D370-P372 WeakPolarHBondContact O-CD 3.29Å
373S79.1Confident86.2Confident109 Ų10962 Ų6276%0.76232%0.318SS*.THydrogen-bonded Turntrans-89-16.6-179.4-61.90000113.2N371N371-S373 PolarHBondContact O-N 2.84Å
374E76.3Confident85.7Confident98 Ų9864.8 Ų64.846%0.45833%0.328SS..  trans-80.1124.4-178.6-67.6-161.7-158.900110.5F367 N371F367-E374 HydrophobicContact CE1-CB 4.45Å; F367-E374 HydrophobicContact CZ-CB 4.47Å; F367-E374 VanDerWaalsContact CZ-OE2 3.28Å; F367-E374 WeakPolarHBondContact CZ-OE2 3.39Å; N371-E374 HydrophobicContact CB-CG 4.29Å; N371-E374 PolarHBondContact O-N 3.19Å
375K79Confident85.1Confident134 Ų13467 Ų6758%0.58334%0.343SS*.  trans-109.4-6.1-174.8-66.2-172180-176.30113.4E530 I531K375-E530 CarbonylContact O-C 3.54Å; K375-E530 VanDerWaalsContact O-CA 3.22Å; K375-E530 WeakPolarHBondContact O-CA 3.32Å; K375-I531 PolarHBondContact O-N 3.09Å
376V85.1Confident84.4Confident89 Ų8972.1 Ų72.154%0.53937%0.365SS..EExtended strand (participates in β ladder)trans-126.7125179-176.40000107.4M529 E530V376-M529 WeakPolarHBondContact CA-O 3.35Å; V376-E530 HydrophobicContact CG2-CG 4.47Å
377I87.8Confident83.5Confident17 Ų1771.7 Ų71.79%0.08736%0.364CS..EExtended strand (participates in β ladder)trans-131137.8179-54.9-171.7000108.3L364 F367 L368 I379 M529 I531L364-I377 HydrophobicContact CD1-CD1 4.08Å; L364-I377 HydrophobicContact CD1-CG2 4.09Å; F367-I377 HydrophobicContact CD1-CD1 3.67Å; F367-I377 HydrophobicContact CE1-CD1 3.5Å; F367-I377 VanDerWaalsContact CE1-CD1 3.5Å; F367-I377 HydrophobicContact CE1-CG1 3.93Å; L368-I377 HydrophobicContact CD2-CD1 3.65Å; L368-I377 HydrophobicContact CG-CD1 4.49Å; I377-I379 HydrophobicContact CB-CD1 4.5Å; I377-I379 HydrophobicContact CB-CG1 4.25Å; I377-I379 HydrophobicContact CG2-CD1 4.38Å; I377-I379 HydrophobicContact CG2-CG1 3.78Å; I377-M529 PolarHBondContact N-O 2.88Å; I377-M529 PolarHBondContact O-N 2.82Å; I377-I531 HydrophobicContact CD1-CD1 3.36Å; I377-I531 HydrophobicContact CG1-CD1 3.76Å
378D84.6Confident82.1Confident109 Ų10976.1 Ų76.158%0.58339%0.386SS*.EExtended strand (participates in β ladder)trans-85.5115.5169.5-66.7-23.8000108.8T526 S528D378-T526 HydrophobicContact CB-CG2 4.24Å; D378-S528 WeakPolarHBondContact OD1-CA 3.46Å; D378-S528 WeakPolarHBondContact OD1-CB 3.42Å; D378-S528 PolarHBondContact OD1-OG 2.8Å
379I85.5Confident81.1Confident5 Ų578.1 Ų78.13%0.02641%0.409CS..EExtended strand (participates in β ladder)trans-117.5133.5-175.9-59.5176.3000108.8F342 L364 I377 L381 E527 M529F342-I379 HydrophobicContact CD1-CD1 4.31Å; F342-I379 HydrophobicContact CE1-CD1 3.67Å; L364-I379 HydrophobicContact CD2-CD1 4.28Å; I377-I379 HydrophobicContact CB-CD1 4.5Å; I377-I379 HydrophobicContact CB-CG1 4.25Å; I377-I379 HydrophobicContact CG2-CD1 4.38Å; I377-I379 HydrophobicContact CG2-CG1 3.78Å; I379-L381 HydrophobicContact CG2-CD2 4.46Å; I379-L381 PolarHBondContact O-N 3.18Å; I379-E527 PolarHBondContact N-O 3.18Å; I379-E527 PolarHBondContact O-N 2.67Å; I379-M529 HydrophobicContact CD1-SD 4.26Å
380E84.5Confident79.7Confident60 Ų6084.6 Ų84.628%0.2844%0.436SS..EExtended strand (participates in β ladder)trans-78.9114.1169.4-164-170.9157.500109.7R339 R382 S524R339-E380 PolarHBondContact NH2-O 2.86Å; E380-R382 VanDerWaalsContact CD-NE 3.32Å; E380-R382 HydrophobicContact CG-CG 4.33Å; E380-R382 IonicContact OE1-CZ 3.56Å; E380-R382 IonicContact OE1-NE 3.52Å; E380-R382 PolarHBondContact OE1-NE 3.05Å; E380-R382 IonicContact OE1-NH2 3.57Å; E380-R382 PolarHBondContact OE1-NH2 2.78Å; E380-R382 IonicContact OE2-CZ 3.66Å; E380-R382 IonicContact OE2-NE 2.63Å; E380-R382 IonicContact OE2-NH2 2.86Å; E380-R382 PolarHBondContact OE2-NH2 3.34Å; E380-S524 WeakPolarHBondContact CG-OG 3.44Å; E380-S524 WeakPolarHBondContact OE1-CB 3.29Å; E380-S524 PolarHBondContact OE1-OG 2.93Å
381L80.1Confident78.4Confident38 Ų3885.1 Ų85.120%0.19944%0.436CS..EExtended strand (participates in β ladder)trans-86.2110.2173.2-59.7-178.1000108.9I343 I379 S524 A525 E527I343-L381 HydrophobicContact CB-CD2 4.46Å; I343-L381 HydrophobicContact CD1-CD2 3.47Å; I343-L381 VanDerWaalsContact CD1-CD2 3.47Å; I343-L381 HydrophobicContact CG1-CD2 3.91Å; I343-L381 HydrophobicContact CG2-CD2 3.71Å; I379-L381 HydrophobicContact CG2-CD2 4.46Å; I379-L381 PolarHBondContact O-N 3.18Å; L381-S524 WeakPolarHBondContact O-CA 3.13Å; L381-A525 WeakPolarHBondContact CB-O 3.46Å; L381-A525 PolarHBondContact N-O 3.41Å; L381-A525 PolarHBondContact O-N 3Å; L381-E527 HydrophobicContact CD1-CB 4.03Å; L381-E527 VanDerWaalsContact CD1-CD 3.41Å; L381-E527 HydrophobicContact CD1-CG 3.71Å; L381-E527 WeakPolarHBondContact CD1-OE2 3.36Å; L381-E527 HydrophobicContact CG-CB 4.43Å; L381-E527 HydrophobicContact CG-CG 4.44Å
382R82.1Confident77.4Confident87 Ų8784.3 Ų84.333%0.32843%0.431SS..EExtended strand (participates in β ladder)trans-103.4123173.3-64.5-174.5-176.7158.914.1108.9E109 E380 I523E109-R382 IonicContact OE2-CZ 3.33Å; E109-R382 IonicContact OE2-NH1 3.53Å; E109-R382 PolarHBondContact OE2-NH1 3.07Å; E380-R382 VanDerWaalsContact CD-NE 3.32Å; E380-R382 HydrophobicContact CG-CG 4.33Å; E380-R382 IonicContact OE1-CZ 3.56Å; E380-R382 IonicContact OE1-NE 3.52Å; E380-R382 PolarHBondContact OE1-NE 3.05Å; E380-R382 IonicContact OE1-NH2 3.57Å; E380-R382 PolarHBondContact OE1-NH2 2.78Å; E380-R382 IonicContact OE2-CZ 3.66Å; E380-R382 IonicContact OE2-NE 2.63Å; E380-R382 IonicContact OE2-NH2 2.86Å; E380-R382 PolarHBondContact OE2-NH2 3.34Å; R382-I523 WeakPolarHBondContact CA-O 3.28Å
383K77.4Confident76.6Confident143 Ų14385.4 Ų85.462%0.62243%0.427SS*.EExtended strand (participates in β ladder)trans-137.5129.7178.1-170.5174.7-177176.50110.8V385 I523K383-V385 HydrophobicContact CD-CG2 4.36Å; K383-V385 HydrophobicContact CG-CG2 4.15Å; K383-I523 PolarHBondContact N-O 3.34Å; K383-I523 PolarHBondContact O-N 3.49Å
384R80.3Confident76.2Confident60 Ų6085.9 Ų85.923%0.22642%0.417CS..EExtended strand (participates in β ladder)trans-82.4122.4169-174172.3-83.4-160.72.8109.9H106 N107 E109 T520 K521 C522H106-R384 PolarHBondContact CD2-NH1 2.68Å; H106-R384 PolarHBondContact CE1-NH1 2.72Å; H106-R384 PolarHBondContact CE1-NH2 2.79Å; H106-R384 PolarHBondContact ND1-NH2 2.78Å; H106-R384 PolarHBondContact NE2-NH1 3.23Å; H106-R384 PolarHBondContact O-NE 2.81Å; H106-R384 PolarHBondContact O-NH1 3.23Å; H106-R384 PolarHBondContact O-NH2 2.91Å; N107-R384 WeakPolarHBondContact O-CB 3.3Å; E109-R384 PolarHBondContact O-NH2 3Å; R384-T520 VanDerWaalsContact CD-OG1 3.31Å; R384-T520 WeakPolarHBondContact CD-OG1 3.35Å; R384-T520 VanDerWaalsContact CG-CB 3.48Å; R384-T520 HydrophobicContact CG-CG2 4.06Å; R384-K521 WeakPolarHBondContact CA-O 3.34Å; R384-C522 PolarHBondContact NE-SG 3.12Å
385V79.9Confident75.8Confident63 Ų6386.4 Ų86.438%0.38242%0.415SS..EExtended strand (participates in β ladder)trans-119.6143-179.1-175.40000109.1K383 T520 K521 I523K383-V385 HydrophobicContact CD-CG2 4.36Å; K383-V385 HydrophobicContact CG-CG2 4.15Å; V385-T520 CarbonylContact O-C 3.5Å; V385-T520 VanDerWaalsContact O-CA 3.28Å; V385-T520 WeakPolarHBondContact O-CA 3.21Å; V385-T520 WeakPolarHBondContact O-CB 3.48Å; V385-K521 PolarHBondContact N-O 3.44Å; V385-K521 PolarHBondContact O-N 2.99Å; V385-I523 HydrophobicContact CB-CD1 4.22Å; V385-I523 HydrophobicContact CG2-CD1 3.86Å
386K78.3Confident75.4Confident107 Ų10783.7 Ų83.747%0.46541%0.407SS..EExtended strand (participates in β ladder)trans-65.5137.9175.8-62.1-177.9-172.6-172.80110L515 V518 T520K386-L515 HydrophobicContact CD-CD2 4.44Å; K386-V518 HydrophobicContact CB-CG1 3.95Å; K386-V518 HydrophobicContact CD-CG1 4.36Å; K386-V518 HydrophobicContact CG-CG1 4.33Å; K386-T520 HydrophobicContact CG-CG2 4.21Å
387L72.7Confident74.8Confident18 Ų1885.7 Ų85.79%0.09441%0.41CS..  trans-71.2129.1173.6-67.1179000109.4E391 L392 Y395 P519 K521L387-E391 HydrophobicContact CD2-CB 4.14Å; L387-E391 WeakPolarHBondContact CD2-OE2 3.45Å; L387-L392 HydrophobicContact CB-CB 4.34Å; L387-Y395 HydrophobicContact CD1-CD2 4.37Å; L387-Y395 HydrophobicContact CD1-CG 4.34Å; L387-P519 HydrophobicContact CB-CG 4.34Å; L387-P519 VanDerWaalsContact CB-O 3.29Å; L387-P519 WeakPolarHBondContact CB-O 3.46Å; L387-P519 HydrophobicContact CD1-CB 3.81Å; L387-P519 HydrophobicContact CD1-CG 3.94Å; L387-P519 WeakPolarHBondContact CG-O 3.41Å; L387-P519 PolarHBondContact N-O 3.48Å; L387-K521 HydrophobicContact CD2-CB 3.66Å; L387-K521 HydrophobicContact CD2-CD 4.3Å; L387-K521 HydrophobicContact CG-CB 4.45Å
388E65.5Low74.2Confident163 Ų16391.5 Ų91.576%0.76244%0.435SS*.  trans-124.9143.7176.9-66.3-175.7177.100110.7
389G69.8Low73.8Confident51 Ų5189.2 Ų89.253%0.52642%0.421SS..THydrogen-bonded Turntrans76.8-133.2174.400000114.7E391 L392 E393G389-E391 VanDerWaalsContact C-N 3.35Å; G389-E391 PolarHBondContact O-N 2.78Å; G389-L392 WeakPolarHBondContact O-CB 3.4Å; G389-L392 PolarHBondContact O-N 3Å; G389-E393 PolarHBondContact O-N 3.32Å
390K64.4Low73.3Confident167 Ų16795.5 Ų95.573%0.72645%0.448SS*.Hα-helixtrans-66.9-30.5-171.7-67.3-175.5177.6-176.50114.1L392 E393 E394K390-L392 VanDerWaalsContact C-N 3.28Å; K390-L392 PolarHBondContact O-N 3Å; K390-E393 PolarHBondContact O-N 3.19Å; K390-E394 PolarHBondContact O-N 3.48Å
391E63.9Low73Confident99 Ų9998 Ų9846%0.46346%0.463SS..Hα-helixtrans-67.6-31.6177.8-62.1-171.3161.800111.7L387 G389 Y395L387-E391 HydrophobicContact CD2-CB 4.14Å; L387-E391 WeakPolarHBondContact CD2-OE2 3.45Å; G389-E391 VanDerWaalsContact C-N 3.35Å; G389-E391 PolarHBondContact O-N 2.78Å; E391-Y395 WeakPolarHBondContact O-CB 3.21Å; E391-Y395 PolarHBondContact O-N 3.48Å
392L67.5Low72.8Confident49 Ų49103.8 Ų103.826%0.25749%0.486SS..Hα-helixtrans-69.4-41.5174.3177.163000111.4L387 G389 K390 Y395 L396 P519L387-L392 HydrophobicContact CB-CB 4.34Å; G389-L392 WeakPolarHBondContact O-CB 3.4Å; G389-L392 PolarHBondContact O-N 3Å; K390-L392 VanDerWaalsContact C-N 3.28Å; K390-L392 PolarHBondContact O-N 3Å; L392-Y395 PolarHBondContact O-N 2.59Å; L392-L396 HydrophobicContact CD1-CD1 4.09Å; L392-L396 HydrophobicContact CD1-CG 4.24Å; L392-L396 HydrophobicContact CG-CD1 4.01Å; L392-L396 WeakPolarHBondContact O-CB 3.26Å; L392-L396 VanDerWaalsContact O-CG 3.24Å; L392-L396 WeakPolarHBondContact O-CG 3.5Å; L392-L396 PolarHBondContact O-N 2.86Å; L392-P519 HydrophobicContact CD1-CG 3.2Å
393E63.8Low72.4Confident127 Ų127105.5 Ų105.559%0.59350%0.496SS*.Hα-helixtrans-63.6-46.4176.5-69179.3168.700111.3G389 K390 Y395 L396 E397G389-E393 PolarHBondContact O-N 3.32Å; K390-E393 PolarHBondContact O-N 3.19Å; E393-Y395 VanDerWaalsContact C-N 3.34Å; E393-Y395 PolarHBondContact O-N 3.05Å; E393-L396 PolarHBondContact O-N 2.67Å; E393-E397 WeakPolarHBondContact O-CB 3.33Å; E393-E397 WeakPolarHBondContact O-CG 3.49Å; E393-E397 PolarHBondContact O-N 2.79Å
394E72.3Confident72.3Confident119 Ų119104.3 Ų104.356%0.55649%0.493SS*.Hα-helixtrans-63.8-37.6176-73.9-176.7-170.700112.8K390 K398K390-E394 PolarHBondContact O-N 3.48Å; E394-K398 WeakPolarHBondContact O-CB 3.28Å; E394-K398 WeakPolarHBondContact O-CG 3.47Å; E394-K398 PolarHBondContact O-N 3.07Å
395Y68.1Low72.1Confident109 Ų109104 Ų10443%0.42750%0.504SS..Hα-helixtrans-64.6-49.1174.6-178.5-85.9000110.9L387 E391 L392 E393 E397 K398 E399 P519L387-Y395 HydrophobicContact CD1-CD2 4.37Å; L387-Y395 HydrophobicContact CD1-CG 4.34Å; E391-Y395 WeakPolarHBondContact O-CB 3.21Å; E391-Y395 PolarHBondContact O-N 3.48Å; L392-Y395 PolarHBondContact O-N 2.59Å; E393-Y395 VanDerWaalsContact C-N 3.34Å; E393-Y395 PolarHBondContact O-N 3.05Å; Y395-E397 VanDerWaalsContact C-N 3.29Å; Y395-E397 PolarHBondContact O-N 3.42Å; Y395-K398 PolarHBondContact O-N 3.01Å; Y395-E399 HydrophobicContact CE1-CB 4.32Å; Y395-E399 HydrophobicContact CE1-CG 4.06Å; Y395-E399 WeakPolarHBondContact O-CB 3.24Å; Y395-E399 PolarHBondContact O-N 3.47Å; Y395-P519 HydrophobicContact CD1-CB 3.47Å; Y395-P519 VanDerWaalsContact CD1-CB 3.47Å; Y395-P519 HydrophobicContact CD1-CG 3.49Å; Y395-P519 VanDerWaalsContact CD1-CG 3.49Å; Y395-P519 HydrophobicContact CD2-CB 4.14Å; Y395-P519 HydrophobicContact CE1-CB 3.41Å; Y395-P519 VanDerWaalsContact CE1-CB 3.41Å; Y395-P519 HydrophobicContact CE1-CG 3.87Å; Y395-P519 HydrophobicContact CE2-CB 4.08Å; Y395-P519 HydrophobicContact CG-CB 3.85Å; Y395-P519 HydrophobicContact CG-CG 3.97Å
396L70.3Confident71.9Confident78 Ų78103.6 Ų103.641%0.40851%0.506SS..Hα-helixtrans-62.9-34.6178.8-72.5169.8000112.3L392 E393 K400L392-L396 HydrophobicContact CD1-CD1 4.09Å; L392-L396 HydrophobicContact CD1-CG 4.24Å; L392-L396 HydrophobicContact CG-CD1 4.01Å; L392-L396 WeakPolarHBondContact O-CB 3.26Å; L392-L396 VanDerWaalsContact O-CG 3.24Å; L392-L396 WeakPolarHBondContact O-CG 3.5Å; L392-L396 PolarHBondContact O-N 2.86Å; E393-L396 PolarHBondContact O-N 2.67Å; L396-K400 WeakPolarHBondContact O-CB 3.24Å; L396-K400 VanDerWaalsContact O-CG 3.31Å; L396-K400 WeakPolarHBondContact O-CG 3.23Å; L396-K400 PolarHBondContact O-N 3.4Å
397E72.4Confident71.8Confident130 Ų130104.7 Ų104.761%0.60751%0.511SS*.Hα-helixtrans-67.4-44.3172.5-77.2-174.6172.400112.1E393 Y395 E399 K400 L401E393-E397 WeakPolarHBondContact O-CB 3.33Å; E393-E397 WeakPolarHBondContact O-CG 3.49Å; E393-E397 PolarHBondContact O-N 2.79Å; Y395-E397 VanDerWaalsContact C-N 3.29Å; Y395-E397 PolarHBondContact O-N 3.42Å; E397-E399 VanDerWaalsContact C-N 3.33Å; E397-E399 PolarHBondContact O-N 3.03Å; E397-K400 PolarHBondContact O-N 2.8Å; E397-L401 WeakPolarHBondContact O-CB 3.49Å; E397-L401 WeakPolarHBondContact O-CG 3.39Å; E397-L401 PolarHBondContact O-N 3.43Å
398K74.9Confident72Confident139 Ų139110.6 Ų110.660%0.60454%0.536SS*.Hα-helixtrans-63.8-37.1174.1-79.7178.5179.8170.30112.6E394 Y395 L401 K402E394-K398 WeakPolarHBondContact O-CB 3.28Å; E394-K398 WeakPolarHBondContact O-CG 3.47Å; E394-K398 PolarHBondContact O-N 3.07Å; Y395-K398 PolarHBondContact O-N 3.01Å; K398-L401 PolarHBondContact O-N 3.19Å; K398-K402 WeakPolarHBondContact O-CB 3.28Å; K398-K402 PolarHBondContact O-N 2.74Å
399E75.1Confident72.4Confident62 Ų62107.8 Ų107.829%0.2953%0.525SS..Hα-helixtrans-70.4-39.8179.1-141.2-108.6152.600110.7Y395 E397 K402 K403Y395-E399 HydrophobicContact CE1-CB 4.32Å; Y395-E399 HydrophobicContact CE1-CG 4.06Å; Y395-E399 WeakPolarHBondContact O-CB 3.24Å; Y395-E399 PolarHBondContact O-N 3.47Å; E397-E399 VanDerWaalsContact C-N 3.33Å; E397-E399 PolarHBondContact O-N 3.03Å; E399-K402 PolarHBondContact O-N 3.25Å; E399-K403 WeakPolarHBondContact O-CB 3.26Å; E399-K403 WeakPolarHBondContact O-CG 3.48Å; E399-K403 PolarHBondContact O-N 3.03Å; E399-K403 WeakPolarHBondContact OE1-CE 3.46Å; E399-K403 IonicContact OE1-NZ 2.83Å; E399-K403 PolarHBondContact OE1-NZ 2.78Å; E399-K403 IonicContact OE2-NZ 2.81Å; E399-K403 PolarHBondContact OE2-NZ 3.16Å
400K75.6Confident72.4Confident137 Ų137111.5 Ų111.560%0.59653%0.529SS*.Hα-helixtrans-60.5-45.6168.7-79.1177.8-178.1175.90112.3L396 E397 K402 K403 E404L396-K400 WeakPolarHBondContact O-CB 3.24Å; L396-K400 VanDerWaalsContact O-CG 3.31Å; L396-K400 WeakPolarHBondContact O-CG 3.23Å; L396-K400 PolarHBondContact O-N 3.4Å; E397-K400 PolarHBondContact O-N 2.8Å; K400-K402 VanDerWaalsContact C-N 3.35Å; K400-K402 PolarHBondContact O-N 2.73Å; K400-K403 PolarHBondContact O-N 2.85Å; K400-E404 WeakPolarHBondContact O-CB 3.44Å; K400-E404 WeakPolarHBondContact O-CG 3.34Å; K400-E404 PolarHBondContact O-N 3.3Å
401L78.4Confident72.5Confident111 Ų111108.9 Ų108.958%0.58152%0.52SS*.Hα-helixtrans-63.2-39.7176.7-74.9166.1000111.9E397 K398 A405E397-L401 WeakPolarHBondContact O-CB 3.49Å; E397-L401 WeakPolarHBondContact O-CG 3.39Å; E397-L401 PolarHBondContact O-N 3.43Å; K398-L401 PolarHBondContact O-N 3.19Å; L401-A405 VanDerWaalsContact O-CB 3.25Å; L401-A405 WeakPolarHBondContact O-CB 3.41Å; L401-A405 PolarHBondContact O-N 2.99Å
402K76.9Confident72.7Confident161 Ų161106.7 Ų106.770%0.752%0.515SS*.Hα-helixtrans-65.8-43.7173.9-83.8-173175.2-175.40112.2K398 E399 K400 A405 A406K398-K402 WeakPolarHBondContact O-CB 3.28Å; K398-K402 PolarHBondContact O-N 2.74Å; E399-K402 PolarHBondContact O-N 3.25Å; K400-K402 VanDerWaalsContact C-N 3.35Å; K400-K402 PolarHBondContact O-N 2.73Å; K402-A405 PolarHBondContact O-N 2.71Å; K402-A406 WeakPolarHBondContact O-CB 3.04Å; K402-A406 PolarHBondContact O-N 3.24Å
403K72.8Confident72.3Confident122 Ų122110.8 Ų110.853%0.5353%0.531SS..Hα-helixtrans-64.1-40.8175.4-80.8174.4173.81550111.8E399 K400 K407E399-K403 WeakPolarHBondContact O-CB 3.26Å; E399-K403 WeakPolarHBondContact O-CG 3.48Å; E399-K403 PolarHBondContact O-N 3.03Å; E399-K403 WeakPolarHBondContact OE1-CE 3.46Å; E399-K403 IonicContact OE1-NZ 2.83Å; E399-K403 PolarHBondContact OE1-NZ 2.78Å; E399-K403 IonicContact OE2-NZ 2.81Å; E399-K403 PolarHBondContact OE2-NZ 3.16Å; K400-K403 PolarHBondContact O-N 2.85Å; K403-K407 WeakPolarHBondContact O-CB 3.45Å; K403-K407 PolarHBondContact O-N 3.02Å
404E74.4Confident71.9Confident118 Ų118111.3 Ų111.355%0.55153%0.534SS*.Hα-helixtrans-66-38.8173.6-76.7-177.4177.400112.1K400 K408K400-E404 WeakPolarHBondContact O-CB 3.44Å; K400-E404 WeakPolarHBondContact O-CG 3.34Å; K400-E404 PolarHBondContact O-N 3.3Å; E404-K408 WeakPolarHBondContact O-CB 3.27Å; E404-K408 VanDerWaalsContact O-CG 3.29Å; E404-K408 WeakPolarHBondContact O-CG 3.43Å; E404-K408 PolarHBondContact O-N 3.48Å
405A77.2Confident71.1Confident55 Ų55108.5 Ų108.546%0.45553%0.53SS..Hα-helixtrans-68.5-43.4175.600000112.2L401 K402 K408 L409L401-A405 VanDerWaalsContact O-CB 3.25Å; L401-A405 WeakPolarHBondContact O-CB 3.41Å; L401-A405 PolarHBondContact O-N 2.99Å; K402-A405 PolarHBondContact O-N 2.71Å; A405-K408 PolarHBondContact O-N 3.12Å; A405-L409 WeakPolarHBondContact O-CB 3.4Å; A405-L409 PolarHBondContact O-N 3.12Å
406A76.1Confident70.3Confident53 Ų53109.4 Ų109.444%0.43854%0.543SS..Hα-helixtrans-62.9-42.9175.600000111.2K402 K408 L409 E410K402-A406 WeakPolarHBondContact O-CB 3.04Å; K402-A406 PolarHBondContact O-N 3.24Å; A406-K408 PolarHBondContact O-N 2.96Å; A406-L409 WeakPolarHBondContact O-CB 3.44Å; A406-L409 PolarHBondContact O-N 3.22Å; A406-L409 VanDerWaalsContact O-N 3.14Å; A406-E410 PolarHBondContact O-N 3.41Å
407K75.9Confident69.3Low131 Ų131112 Ų11257%0.5756%0.556SS**Hα-helixtrans-66-36.6175.5-163.8173.1-173.1176.20112.5K403 L409 Q411K403-K407 WeakPolarHBondContact O-CB 3.45Å; K403-K407 PolarHBondContact O-N 3.02Å; K407-L409 VanDerWaalsContact C-N 3.34Å; K407-Q411 WeakPolarHBondContact O-CB 3.4Å; K407-Q411 VanDerWaalsContact O-CG 3.22Å; K407-Q411 WeakPolarHBondContact O-CG 3.39Å; K407-Q411 PolarHBondContact O-N 2.86Å
408K76.5Confident67.9Low142 Ų142113 Ų11362%0.61757%0.565SS**Hα-helixtrans-66.8-35.3171-78.9178.4-178.4178.60112.3E404 A405 A406 Q411 S412E404-K408 WeakPolarHBondContact O-CB 3.27Å; E404-K408 VanDerWaalsContact O-CG 3.29Å; E404-K408 WeakPolarHBondContact O-CG 3.43Å; E404-K408 PolarHBondContact O-N 3.48Å; A405-K408 PolarHBondContact O-N 3.12Å; A406-K408 PolarHBondContact O-N 2.96Å; K408-Q411 PolarHBondContact O-N 3.35Å; K408-S412 PolarHBondContact O-N 2.8Å; K408-S412 PolarHBondContact O-OG 3.07Å
409L72.9Confident66.2Low103 Ų103111.4 Ų111.454%0.53957%0.571SS.*Hα-helixtrans-70.7-39.7177-160.386.4000111.7A405 A406 K407 S412 K413A405-L409 WeakPolarHBondContact O-CB 3.4Å; A405-L409 PolarHBondContact O-N 3.12Å; A406-L409 WeakPolarHBondContact O-CB 3.44Å; A406-L409 PolarHBondContact O-N 3.22Å; A406-L409 VanDerWaalsContact O-N 3.14Å; K407-L409 VanDerWaalsContact C-N 3.34Å; L409-S412 VanDerWaalsContact CA-OG 3.29Å; L409-S412 WeakPolarHBondContact CA-OG 3.45Å; L409-S412 PolarHBondContact O-N 3.31Å; L409-S412 PolarHBondContact O-OG 3.2Å; L409-K413 WeakPolarHBondContact O-CG 3.41Å; L409-K413 PolarHBondContact O-N 3.1Å
410E70.2Confident64.7Low130 Ų130113.1 Ų113.161%0.60759%0.59SS**Hα-helixtrans-64.2-45.1170.7-80.1-179.7160.400111.1A406 S412 K413 E414A406-E410 PolarHBondContact O-N 3.41Å; E410-S412 VanDerWaalsContact C-N 3.31Å; E410-S412 PolarHBondContact O-N 3.23Å; E410-K413 PolarHBondContact O-N 2.95Å; E410-K413 VanDerWaalsContact O-N 3.08Å; E410-E414 PolarHBondContact O-N 3.41Å
411Q67.6Low62.7Low111 Ų111113.8 Ų113.852%0.51960%0.6SS.*Hα-helixtrans-62.6-34.7175-76.6176.6-14.200112.9K407 K408 A415K407-Q411 WeakPolarHBondContact O-CB 3.4Å; K407-Q411 VanDerWaalsContact O-CG 3.22Å; K407-Q411 WeakPolarHBondContact O-CG 3.39Å; K407-Q411 PolarHBondContact O-N 2.86Å; K408-Q411 PolarHBondContact O-N 3.35Å; Q411-A415 VanDerWaalsContact O-CB 3.31Å; Q411-A415 WeakPolarHBondContact O-CB 3.22Å; Q411-A415 PolarHBondContact O-N 2.79Å
412S66.8Low60.7Low53 Ų53117.8 Ų117.837%0.37162%0.616SS.*Hα-helixtrans-70.5-34.8172.356.10000112.7K408 L409 E410 A415 D416K408-S412 PolarHBondContact O-N 2.8Å; K408-S412 PolarHBondContact O-OG 3.07Å; L409-S412 VanDerWaalsContact CA-OG 3.29Å; L409-S412 WeakPolarHBondContact CA-OG 3.45Å; L409-S412 PolarHBondContact O-N 3.31Å; L409-S412 PolarHBondContact O-OG 3.2Å; E410-S412 VanDerWaalsContact C-N 3.31Å; E410-S412 PolarHBondContact O-N 3.23Å; S412-A415 PolarHBondContact O-N 3.42Å; S412-D416 PolarHBondContact O-N 2.97Å
413K60.7Low58.6Low135 Ų135115 Ų11559%0.58762%0.617SS**Hα-helixtrans-70.1-34.9175-78.5-178.9175.8-175.70112.5L409 E410 I417L409-K413 WeakPolarHBondContact O-CG 3.41Å; L409-K413 PolarHBondContact O-N 3.1Å; E410-K413 PolarHBondContact O-N 2.95Å; E410-K413 VanDerWaalsContact O-N 3.08Å; K413-I417 WeakPolarHBondContact O-CG1 3.33Å
414E55.3Low56.7Low139 Ų139116.9 Ų116.965%0.6563%0.633SS**Hα-helixtrans-69.2-39.1171.7-75.3-179.5159.600111.4E410 D416 I417 D418E410-E414 PolarHBondContact O-N 3.41Å; E414-D416 PolarHBondContact O-N 2.94Å; E414-I417 PolarHBondContact O-N 3.22Å; E414-D418 PolarHBondContact O-N 3.26Å
415A54.8Low54.7Low59 Ų59115.8 Ų115.849%0.48864%0.644SS.*Hα-helixtrans-67.9-29.5176.500000113.9Q411 S412 I417 D418Q411-A415 VanDerWaalsContact O-CB 3.31Å; Q411-A415 WeakPolarHBondContact O-CB 3.22Å; Q411-A415 PolarHBondContact O-N 2.79Å; S412-A415 PolarHBondContact O-N 3.42Å; A415-I417 VanDerWaalsContact C-N 3.33Å; A415-D418 PolarHBondContact O-N 2.76Å
416D51.3Low52.6Low128 Ų128121.1 Ų121.168%0.68466%0.659SS**Hα-helixtrans-75.2-20.1175.2-78.5-24.2000113S412 E414S412-D416 PolarHBondContact O-N 2.97Å; E414-D416 PolarHBondContact O-N 2.94Å
417I49.1Very low50.4Low133 Ų133126.1 Ų126.168%0.68267%0.674SS**Hα-helixtrans-81.9-29.9174.2-66.1166.8000110.8K413 E414 A415 S419K413-I417 WeakPolarHBondContact O-CG1 3.33Å; E414-I417 PolarHBondContact O-N 3.22Å; A415-I417 VanDerWaalsContact C-N 3.33Å; I417-S419 VanDerWaalsContact C-N 3.29Å; I417-S419 PolarHBondContact O-N 2.68Å
418D42.6Very low48.3Very low151 Ų151125.9 Ų125.981%0.80768%0.679SS**THydrogen-bonded Turntrans-83.62.4-177.6-138.917.7000113.8E414 A415E414-D418 PolarHBondContact O-N 3.26Å; A415-D418 PolarHBondContact O-N 2.76Å
419S40.7Very low46.2Very low105 Ų105125.4 Ų125.473%0.73468%0.682SS**THydrogen-bonded Turntrans-93.89.1178.6-1770000113.9I417I417-S419 VanDerWaalsContact C-N 3.29Å; I417-S419 PolarHBondContact O-N 2.68Å
420S42.8Very low44.1Very low98 Ų98127.8 Ų127.869%0.68570%0.695SS**SBendtrans-134.133.7-173.965.90000116.1
421D34.8Very low42.2Very low151 Ų151130.3 Ų130.381%0.80771%0.706SS**  trans-14991.6165.2-142.40.6000112.6
422E35.5Very low40.7Very low196 Ų196130.2 Ų130.292%0.91672%0.715SS**  trans-112.7104.3159-79.1-144.5172.100109.3
423S32.8Very low38.9Very low103 Ų103134 Ų13472%0.7274%0.736SS**  -173.9126.8128.940.80000114
424D32.5Very low37.3Very low161 Ų161133.3 Ų133.386%0.86174%0.743SS**  trans74.2100.2146.7-66.4-9.3000122.8
425A31.7Very low36.2Very low95 Ų95135.5 Ų135.579%0.78575%0.753SS**  125.7106.3107.300000118.4
426E33.3Very low35.1Very low167 Ų167142 Ų14278%0.7877%0.771SS**  trans69119.2137.2-56.1-150.7164.900124.2
427E31.1Very low34Very low157 Ų157142 Ų14273%0.73478%0.775SS**  trans59.2129.7134.3-60.2-173.3170.400118.3
428D31.4Very low33.2Very low127 Ų127144.4 Ų144.468%0.67978%0.781SS**  cis-175152.326.8-133.7-7.4000110.6
429I31.8Very low32.6Very low132 Ų132145 Ų14568%0.67778%0.778SS**  trans90.9111.8142.8-63.9161.1000122.4
430D29.3Very low32.2Very low153 Ų153146.5 Ų146.582%0.81878%0.778SS**  trans76105.2140-68.2-15.6000124.4
431Q30Very low31.7Very low182 Ų182148.6 Ų148.685%0.8578%0.781SS**  trans-49.8167.4148.3-73.9-178.29.200113.4
432P35.7Very low31.6Very low109 Ų109150.2 Ų150.271%0.70879%0.786SS**  cis-143163.327.336.3-13.8000118.5
433T29.4Very low31.9Very low132 Ų132150 Ų15081%0.8179%0.787SS**  trans-64142.7162.140.80000112.5
434V27.8Very low31.9Very low121 Ų121155.1 Ų155.173%0.73380%0.797SS**  trans-130.6104.1164.9178.80000109.8K436V434-K436 HydrophobicContact CG1-CG 4.18Å
435H31.5Very low32.2Very low186 Ų186150.7 Ų150.786%0.86179%0.789SS**  trans-63.1136.4153.4-79.9-68.8000110
436K31Very low32.1Very low195 Ų195156 Ų15685%0.84880%0.797SS**  trans-144.3117.1149.2-81.3-164.5178.4173.60112.9V434V434-K436 HydrophobicContact CG1-CG 4.18Å
437T28.5Very low32.1Very low128 Ų128151.3 Ų151.379%0.78579%0.794SS**  trans-86.2144.5157.430.20000110.9
438K33.7Very low32Very low183 Ų183148.9 Ų148.980%0.79680%0.795SS**  trans65.1116.2147-67-171.1172179.20122
439H29.8Very low32.2Very low164 Ų164153.1 Ų153.176%0.75980%0.801SS**  54.7129.7128.1-60.2-68.5000124
440D31.5Very low32.4Very low136 Ų136155.8 Ų155.873%0.72781%0.808SS**  trans90.1125.4133.5-94.8-8.6000124.3
441L33.2Very low32.5Very low142 Ų142152.1 Ų152.174%0.74381%0.807SS**  trans52.6103.5139.4-78152.8000120.2
442M31.8Very low32.7Very low186 Ų186149 Ų14992%0.91680%0.804SS**  154.4139.8108.8-78.6-134.8-100.900113.9
443M41.9Very low32.9Very low190 Ų190153.1 Ų153.194%0.93681%0.812SS**  trans-69.6142.3172.2-90.9-169.4173.800113.8
444K32.9Very low33.3Very low212 Ų212155.5 Ų155.592%0.92281%0.811SS**  trans174.8132.4134.6-97.9171.9-179.3-179.50105.8
445G38.8Very low34Very low68 Ų68158.5 Ų158.570%0.70182%0.815SS**  cis105.282.126.600000109
446E30.1Very low34.5Very low205 Ų205159.3 Ų159.396%0.95882%0.818SS**  trans167.6135.4163-101.3172.8-173.800106.2
447G33Very low34.7Very low70 Ų70154.9 Ų154.972%0.72282%0.819SS**  cis165.6145.210.700000102.2
448S29Very low35.3Very low106 Ų106158.6 Ų158.674%0.74182%0.824SS**  143.9152.758.8-173.20000105.8
449R36.2Very low35.8Very low215 Ų215159.1 Ų159.181%0.81183%0.826SS**  trans87.8134.3161.7-63.9173.2-178.6-172.5-0.1116.3
450K34.8Very low36.3Very low188 Ų188156.4 Ų156.482%0.81783%0.825SS**  cis-159.8145.85-93151.1176.9-173.40103.4
451G32Very low36.9Very low77 Ų77159.6 Ų159.679%0.79483%0.829SS**  cis123.9108.131.400000108.3
452S34.1Very low37.6Very low115 Ų115158.4 Ų158.480%0.80483%0.83SS**  trans-173.8101.6154.5-138.30000111.4
453F40.5Very low38.3Very low197 Ų197157.6 Ų157.686%0.86483%0.826SS**  69.474.999-88.2-88.4000116.8
454F36.7Very low38.5Very low182 Ų182157.1 Ų157.180%0.79882%0.818SS**  -172131.9123.7-122.5-103.1000112.6
455K42.8Very low39Very low184 Ų184153.3 Ų153.380%0.882%0.815SS**  trans24.3130162-66.7-178.2179.8178.90122.9
456Q43.3Very low39.7Very low202 Ų202153.9 Ų153.994%0.94481%0.813SS**  trans-47.8131.4168.6-70.8162.8-35.800115.4
457A34.7Very low40.9Very low103 Ų103149.9 Ų149.985%0.85181%0.805SS**  trans-140.5134.3140.900000110
458K39.6Very low41.8Very low206 Ų206155.4 Ų155.490%0.89681%0.812SS**  trans-26.8141.5-175-67.7169.6176.9178.20118.9S460K458-S460 PolarHBondContact O-N 3.42Å
459K45.1Very low43.3Very low194 Ų194157.6 Ų157.684%0.84381%0.811SS**  trans-35.9122.9154-73.4174.2171.6178.40112.6
460S41.3Very low44.2Very low106 Ų106159 Ų15974%0.74182%0.816SS**  trans-140116.3140.4600000107.4K458 P462K458-S460 PolarHBondContact O-N 3.42Å; S460-P462 WeakPolarHBondContact O-CD 3.43Å
461Y44.2Very low45.6Very low204 Ų204155 Ų15580%0.880%0.803SS**PPolyproline II helixtrans-69.7122.9166.1-71.1-86.3000107.4M463Y461-M463 PolarHBondContact O-N 2.9Å
462P46.3Very low47.2Very low117 Ų117159.2 Ų159.276%0.7680%0.799SS**PPolyproline II helixtrans-66.9116165.824.3-26.6000108S460S460-P462 WeakPolarHBondContact O-CD 3.43Å
463M46.4Very low48.4Very low169 Ų169162.1 Ų162.183%0.83379%0.793SS**SBendtrans-63.5130.3162.4-95.3-176.5-7800107.3Y461Y461-M463 PolarHBondContact O-N 2.9Å
464F46Very low49.8Very low179 Ų179156.9 Ų156.979%0.78577%0.774SS**SBendtrans80103.9-176.6-58.5-81.7000115.4A466F464-A466 PolarHBondContact O-N 2.83Å; F464-A466 VanDerWaalsContact O-N 3.09Å
465P45Very low51Low132 Ų132157.4 Ų157.486%0.85778%0.779SS**  trans-70.699.7160.916.3-6.2000108.2
466A52.1Low51.6Low80 Ų80159.5 Ų159.566%0.66178%0.783SS**  trans-88.3118.8160.300000107.1F464 E468F464-A466 PolarHBondContact O-N 2.83Å; F464-A466 VanDerWaalsContact O-N 3.09Å; A466-E468 PolarHBondContact O-N 2.84Å
467P55.5Low52.9Low121 Ų121150.9 Ų150.979%0.78675%0.749SS**  trans-65.1108.1168.926-29.9000108.2E469P467-E469 PolarHBondContact O-N 2.99Å
468E51.8Low54.9Low187 Ų187151 Ų15187%0.87473%0.731SS**  trans-73.7106.8167.9-77.9-178.6169.700108.3A466 R470A466-E468 PolarHBondContact O-N 2.84Å; E468-R470 PolarHBondContact O-N 3.22Å
469E60.2Low56.1Low151 Ų151145.6 Ų145.671%0.70671%0.711SS**  trans-68.9129.6171.3-70.4-163173.900110.1P467 I471 K481P467-E469 PolarHBondContact O-N 2.99Å; E469-I471 PolarHBondContact O-N 2.8Å; E469-K481 IonicContact OE2-NZ 2.77Å; E469-K481 PolarHBondContact OE2-NZ 2.94Å
470R55Low57.1Low244 Ų244141.9 Ų141.992%0.92170%0.699SS**  trans-76.5109.2176.3-70-173.7175.3-169.6-1109.8E468E468-R470 PolarHBondContact O-N 3.22Å
471I64.2Low58.1Low106 Ų106141.5 Ų141.554%0.54469%0.685SS.*  trans-66.9129.4174.1-54.2170.2000109E469 E478E469-I471 PolarHBondContact O-N 2.8Å; I471-E478 HydrophobicContact CG2-CB 4.3Å; I471-E478 HydrophobicContact CG2-CG 4.01Å
472K66.2Low58.7Low165 Ų165136.3 Ų136.372%0.71768%0.676SS**  trans-93.1135.1174-66.7-178.4-178.4175.40109.4I479K472-I479 HydrophobicContact CB-CD1 3.95Å; K472-I479 PolarHBondContact O-N 2.95Å; K472-I479 VanDerWaalsContact O-N 3.07Å
473W59.3Low59.3Low175 Ų175137.8 Ų137.866%0.66367%0.672SS**EExtended strand (participates in β ladder)trans-113.5140.6-178.6-75.754.9000109.7G477 E478W473-G477 WeakPolarHBondContact CA-O 3.27Å; W473-E478 HydrophobicContact CD2-CG 4.11Å; W473-E478 VanDerWaalsContact CE2-CG 3.5Å; W473-E478 HydrophobicContact CH2-CG 4.28Å; W473-E478 HydrophobicContact CZ2-CG 3.59Å; W473-E478 WeakPolarHBondContact CZ2-OE1 3.46Å
474D71.3Confident59.9Low88 Ų88135.4 Ų135.447%0.47166%0.663SS.*EExtended strand (participates in β ladder)trans-112.4-176.4167.871.418.9000111.5Y476 G477 I479D474-Y476 PolarHBondContact O-N 2.92Å; D474-Y476 VanDerWaalsContact O-N 3.15Å; D474-Y476 WeakPolarHBondContact OD1-CA 3.33Å; D474-Y476 PolarHBondContact OD1-N 2.72Å; D474-G477 PolarHBondContact N-O 2.82Å; D474-G477 PolarHBondContact O-N 2.91Å; D474-G477 PolarHBondContact OD1-N 3.06Å; D474-I479 HydrophobicContact CB-CD1 4.24Å; D474-I479 HydrophobicContact CB-CG1 4.1Å
475E60.3Low60.5Low193 Ų193134.2 Ų134.290%0.90266%0.658SS**THydrogen-bonded Turntrans-66.5-10.1-177.5-67.5-172.8165.800114.1
476Y56.3Low60.8Low228 Ų228132.2 Ų132.289%0.89464%0.64SS**THydrogen-bonded Turntrans-115.8-5.3179-80.1-88.1000114.2D474D474-Y476 PolarHBondContact O-N 2.92Å; D474-Y476 VanDerWaalsContact O-N 3.15Å; D474-Y476 WeakPolarHBondContact OD1-CA 3.33Å; D474-Y476 PolarHBondContact OD1-N 2.72Å
477G70.4Confident61.3Low21 Ų21132.5 Ų132.522%0.21663%0.633CS.*EExtended strand (participates in β ladder)trans146.2-154.8168.400000114.7W473 D474W473-G477 WeakPolarHBondContact CA-O 3.27Å; D474-G477 PolarHBondContact N-O 2.82Å; D474-G477 PolarHBondContact O-N 2.91Å; D474-G477 PolarHBondContact OD1-N 3.06Å
478E75.5Confident61.1Low104 Ų104131.5 Ų131.549%0.48663%0.626SS.*EExtended strand (participates in β ladder)trans-67.6130.8172.7-69.2-174.216000110.1I471 W473 I480I471-E478 HydrophobicContact CG2-CB 4.3Å; I471-E478 HydrophobicContact CG2-CG 4.01Å; W473-E478 HydrophobicContact CD2-CG 4.11Å; W473-E478 VanDerWaalsContact CE2-CG 3.5Å; W473-E478 HydrophobicContact CH2-CG 4.28Å; W473-E478 HydrophobicContact CZ2-CG 3.59Å; W473-E478 WeakPolarHBondContact CZ2-OE1 3.46Å; E478-I480 PolarHBondContact O-N 3.04Å
479I65.9Low61Low93 Ų93130.5 Ų130.548%0.47762%0.622SS.*  trans-72.1105.5177.1-61.9171.7000108K472 D474 K481K472-I479 HydrophobicContact CB-CD1 3.95Å; K472-I479 PolarHBondContact O-N 2.95Å; K472-I479 VanDerWaalsContact O-N 3.07Å; D474-I479 HydrophobicContact CB-CD1 4.24Å; D474-I479 HydrophobicContact CB-CG1 4.1Å; I479-K481 PolarHBondContact O-N 3.16Å
480I65.1Low60.3Low116 Ų116128.6 Ų128.660%0.59562%0.616SS**  trans-73122.5-179.8-59.3172.9000108.9E478 P482 F485E478-I480 PolarHBondContact O-N 3.04Å; I480-P482 VanDerWaalsContact O-CD 3.31Å; I480-P482 WeakPolarHBondContact O-CD 3.33Å; I480-F485 HydrophobicContact CG2-CD2 3.65Å; I480-F485 HydrophobicContact CG2-CE2 3.52Å; I480-F485 HydrophobicContact CG2-CZ 4.41Å
481K62.2Low59.9Low99 Ų99121 Ų12143%0.4359%0.591SS.*  trans-75.4115.5166.2-68.3-179.4-174.1169.10108.2E469 I479 E483 D484E469-K481 IonicContact OE2-NZ 2.77Å; E469-K481 PolarHBondContact OE2-NZ 2.94Å; I479-K481 PolarHBondContact O-N 3.16Å; K481-E483 PolarHBondContact O-N 2.88Å; K481-E483 VanDerWaalsContact O-N 3.11Å; K481-D484 PolarHBondContact O-N 3.07Å
482P58.2Low59.1Low95 Ų95118.6 Ų118.662%0.61759%0.587SS**G310 helixtrans-62.3-21.2-177.1-22.434.4000113.7I480 D484 F485I480-P482 VanDerWaalsContact O-CD 3.31Å; I480-P482 WeakPolarHBondContact O-CD 3.33Å; P482-D484 VanDerWaalsContact C-N 3.32Å; P482-D484 PolarHBondContact O-N 3.01Å; P482-F485 PolarHBondContact O-N 2.78Å
483E58.5Low58.4Low147 Ų147114.6 Ų114.669%0.68758%0.576SS**G310 helixtrans-62.6-35.3-179.3-36.4178.5-128.500112.4K481 F485K481-E483 PolarHBondContact O-N 2.88Å; K481-E483 VanDerWaalsContact O-N 3.11Å; E483-F485 VanDerWaalsContact C-N 3.28Å; E483-F485 PolarHBondContact O-N 3.06Å
484D59.7Low57.9Low119 Ų119113.2 Ų113.264%0.63658%0.577SS**G310 helixtrans-80.9-8.4-174-65.1-28.4000113K481 P482K481-D484 PolarHBondContact O-N 3.07Å; P482-D484 VanDerWaalsContact C-N 3.32Å; P482-D484 PolarHBondContact O-N 3.01Å
485F57.3Low56.7Low154 Ų154113.6 Ų113.668%0.67558%0.576SS**G310 helixtrans-119.56.1-174.2-64.5-88.5000113.9I480 P482 E483I480-F485 HydrophobicContact CG2-CD2 3.65Å; I480-F485 HydrophobicContact CG2-CE2 3.52Å; I480-F485 HydrophobicContact CG2-CZ 4.41Å; P482-F485 PolarHBondContact O-N 2.78Å; E483-F485 VanDerWaalsContact C-N 3.28Å; E483-F485 PolarHBondContact O-N 3.06Å
486L52.5Low56Low91 Ų91110.5 Ų110.548%0.47656%0.562SS.*  trans-79.1122.1174.8-85.4153.6000110.9
487V61.8Low55.5Low86 Ų86107.2 Ų107.252%0.52155%0.552SS.*  trans-77.9131.5176.3-178.80000109.3E489 L490V487-E489 PolarHBondContact O-N 3.38Å; V487-L490 PolarHBondContact O-N 3.44Å; V487-L490 VanDerWaalsContact O-N 3.15Å
488P51.9Low54.1Low99 Ų99109.5 Ų109.564%0.64356%0.564SS**Hα-helixtrans-55.3-24.9-171.2-29.134.4000116.7
489E48.5Very low52.4Low167 Ų167109.2 Ų109.278%0.7856%0.562SS**Hα-helixtrans-78-20-177.5-74.8175.8157.700114.1V487V487-E489 PolarHBondContact O-N 3.38Å
490L46.5Very low51.3Low110 Ų110111.9 Ų111.958%0.57658%0.576SS**Hα-helixtrans-88.6-20.5177.6-76.5163.4000112.9V487 A492 T493 E494V487-L490 PolarHBondContact O-N 3.44Å; V487-L490 VanDerWaalsContact O-N 3.15Å; L490-A492 VanDerWaalsContact C-N 3.28Å; L490-A492 PolarHBondContact O-N 2.94Å; L490-T493 PolarHBondContact O-N 3.26Å; L490-T493 PolarHBondContact O-OG1 3.03Å; L490-E494 PolarHBondContact O-N 3.42Å
491Q46.3Very low50Low86 Ų86115.1 Ų115.140%0.40259%0.589SS.*Hα-helixtrans-60.4-36.8172.8-77.4177.7-2900112.1T493 E495Q491-T493 PolarHBondContact O-N 2.82Å; Q491-E495 VanDerWaalsContact O-CB 3.23Å; Q491-E495 WeakPolarHBondContact O-CB 3.33Å; Q491-E495 VanDerWaalsContact O-CG 3.31Å; Q491-E495 WeakPolarHBondContact O-CG 3.38Å; Q491-E495 PolarHBondContact O-N 2.84Å
492A48.2Very low48.8Very low55 Ų55113.9 Ų113.946%0.45559%0.592SS.*Hα-helixtrans-60.9-32.8179.100000113L490 E496L490-A492 VanDerWaalsContact C-N 3.28Å; L490-A492 PolarHBondContact O-N 2.94Å; A492-E496 WeakPolarHBondContact O-CB 3.25Å; A492-E496 VanDerWaalsContact O-CG 3.24Å; A492-E496 WeakPolarHBondContact O-CG 3.18Å; A492-E496 PolarHBondContact O-N 3.06Å
493T51.5Low47.8Very low80 Ų80112.8 Ų112.849%0.49160%0.598SS.*Hα-helixtrans-90.8-27.8-173.449.40000114.9L490 Q491L490-T493 PolarHBondContact O-N 3.26Å; L490-T493 PolarHBondContact O-OG1 3.03Å; Q491-T493 PolarHBondContact O-N 2.82Å
494E47.3Very low46.6Very low146 Ų146112.3 Ų112.368%0.68260%0.6SS**Hα-helixtrans-87.3-29.1173.6-72.8-169.8155.900112.4L490 K497 S498L490-E494 PolarHBondContact O-N 3.42Å; E494-K497 PolarHBondContact O-N 3.45Å; E494-S498 PolarHBondContact O-N 2.89Å; E494-S498 VanDerWaalsContact O-N 3.08Å; E494-S498 PolarHBondContact O-OG 2.94Å
495E46.1Very low45.3Very low96 Ų96113.3 Ų113.345%0.44961%0.611SS.*Hα-helixtrans-67.4-35.4169-74.5-173.9-178.700112.3Q491 K497 S498 K499Q491-E495 VanDerWaalsContact O-CB 3.23Å; Q491-E495 WeakPolarHBondContact O-CB 3.33Å; Q491-E495 VanDerWaalsContact O-CG 3.31Å; Q491-E495 WeakPolarHBondContact O-CG 3.38Å; Q491-E495 PolarHBondContact O-N 2.84Å; E495-K497 VanDerWaalsContact C-N 3.35Å; E495-S498 WeakPolarHBondContact CA-OG 3.35Å; E495-S498 PolarHBondContact O-OG 3.01Å; E495-K499 VanDerWaalsContact O-CB 3.31Å; E495-K499 WeakPolarHBondContact O-CB 3.5Å; E495-K499 WeakPolarHBondContact O-CD 3.49Å; E495-K499 WeakPolarHBondContact O-CG 3.4Å; E495-K499 PolarHBondContact O-N 2.82Å; E495-K499 IonicContact OE2-NZ 3.6Å
496E46.3Very low44.1Very low129 Ų129112.6 Ų112.660%0.60361%0.614SS**Hα-helixtrans-68.5-34.1174.7-82.7-175.6173.700112.6A492 L500A492-E496 WeakPolarHBondContact O-CB 3.25Å; A492-E496 VanDerWaalsContact O-CG 3.24Å; A492-E496 WeakPolarHBondContact O-CG 3.18Å; A492-E496 PolarHBondContact O-N 3.06Å; E496-L500 PolarHBondContact O-N 2.8Å
497K45.4Very low43.1Very low158 Ų158111.3 Ų111.369%0.68762%0.623SS**Hα-helixtrans-73.9-37.9179.3-130.3179.1-177.5-177.50112.7E494 E495 L500E494-K497 PolarHBondContact O-N 3.45Å; E495-K497 VanDerWaalsContact C-N 3.35Å; K497-L500 PolarHBondContact O-N 3.13Å
498S40.7Very low41.9Very low69 Ų69115 Ų11548%0.48364%0.64SS.*Hα-helixtrans-73.1-31174.851.10000112.8E494 E495 L500 S502E494-S498 PolarHBondContact O-N 2.89Å; E494-S498 VanDerWaalsContact O-N 3.08Å; E494-S498 PolarHBondContact O-OG 2.94Å; E495-S498 WeakPolarHBondContact CA-OG 3.35Å; E495-S498 PolarHBondContact O-OG 3.01Å; S498-L500 VanDerWaalsContact C-N 3.32Å; S498-L500 PolarHBondContact O-N 3.4Å; S498-S502 PolarHBondContact O-N 3.1Å; S498-S502 PolarHBondContact O-OG 3.49Å
499K41.3Very low40.9Very low99 Ų99118.8 Ų118.843%0.4365%0.649SS.*Hα-helixtrans-67.9-26.3171.9-76.2168.4-173.1165.80113.8E495E495-K499 VanDerWaalsContact O-CB 3.31Å; E495-K499 WeakPolarHBondContact O-CB 3.5Å; E495-K499 WeakPolarHBondContact O-CD 3.49Å; E495-K499 WeakPolarHBondContact O-CG 3.4Å; E495-K499 PolarHBondContact O-N 2.82Å; E495-K499 IonicContact OE2-NZ 3.6Å
500L41.7Very low40.2Very low149 Ų149116.3 Ų116.378%0.7865%0.647SS**Hα-helixtrans-80.2-27.9178.4-100.1146.7000113.7E496 K497 S498E496-L500 PolarHBondContact O-N 2.8Å; K497-L500 PolarHBondContact O-N 3.13Å; S498-L500 VanDerWaalsContact C-N 3.32Å; S498-L500 PolarHBondContact O-N 3.4Å
501E38.8Very low39.5Very low183 Ų183117.7 Ų117.786%0.85565%0.652SS**Hα-helixtrans-89.4-17.8179.3-79.1-174.1163.200113.9
502S36.4Very low38.8Very low73 Ų73121.2 Ų121.251%0.5167%0.674SS.*SBendtrans-95.85.9-176.270.80000115.9S498 L504S498-S502 PolarHBondContact O-N 3.1Å; S498-S502 PolarHBondContact O-OG 3.49Å; S502-L504 PolarHBondContact O-N 3.37Å
503G36.3Very low38Very low72 Ų72127.4 Ų127.474%0.74269%0.693SS**  trans59.322.7167.500000116.6
504L34.3Very low37.4Very low138 Ų138130.6 Ų130.672%0.72371%0.708SS**  trans-111.9103175.2-73.6165000108.2S502 N506S502-L504 PolarHBondContact O-N 3.37Å; L504-N506 PolarHBondContact O-N 2.98Å
505T33.3Very low36.7Very low140 Ų140128.2 Ų128.286%0.85970%0.699SS**  trans-70115.5175.546.90000109.9G507T505-G507 PolarHBondContact O-N 3.03Å; T505-G507 VanDerWaalsContact O-N 3.11Å
506N31.9Very low36.3Very low138 Ų138128.1 Ų128.174%0.73871%0.709SS**  trans-67.6103.3164.7-79.7-22.3000109.4L504L504-N506 PolarHBondContact O-N 2.98Å
507G31.7Very low36.5Very low65 Ų65130 Ų13067%0.6772%0.723SS**  trans-1346.1165.900000113.3T505 E509T505-G507 PolarHBondContact O-N 3.03Å; T505-G507 VanDerWaalsContact O-N 3.11Å; G507-E509 PolarHBondContact O-N 3.08Å
508D35.7Very low37.2Very low164 Ų164124.5 Ų124.588%0.87770%0.703SS**  trans-93.775.6173.9-72.8-28.7000109.9
509E30.8Very low38.8Very low178 Ų178121.9 Ų121.983%0.83268%0.684SS**  trans-79.5124.6134.6-75.2-161.3165.600105.4G507 M511G507-E509 PolarHBondContact O-N 3.08Å; E509-M511 PolarHBondContact O-N 3.21Å
510P33.3Very low40.5Very low115 Ų115119.9 Ų119.975%0.74768%0.68SS**  trans-59.9114.717725.2-30.2000106.7D512P510-D512 PolarHBondContact O-N 3.22Å
511M32.2Very low42.4Very low139 Ų139118 Ų11869%0.68567%0.666SS**  trans-42.6130.5146.2-82.1-169.269.200105.8E509 Q513E509-M511 PolarHBondContact O-N 3.21Å; M511-Q513 PolarHBondContact O-N 3.04Å
512D32.6Very low44.5Very low159 Ų159111.3 Ų111.385%0.8564%0.639SS**  trans-56.189.1165.8-81.4-38.4000107.3P510 D514P510-D512 PolarHBondContact O-N 3.22Å; D512-D514 PolarHBondContact O-N 3.03Å
513Q31.2Very low46.8Very low185 Ų185112.2 Ų112.286%0.86464%0.636SS**  trans-66.671.7152.9-82.5-178.1-3.800105.2M511 L515M511-Q513 PolarHBondContact O-N 3.04Å; Q513-L515 PolarHBondContact O-N 3.43Å
514D37.4Very low49.2Very low148 Ų148112 Ų11279%0.79162%0.624SS**  trans-69.493.1159.6-1479.5000104.6D512D512-D514 PolarHBondContact O-N 3.03Å
515L33.9Very low51.7Low96 Ų96107.6 Ų107.650%0.50361%0.607SS.*  trans176.1106.8149.6-89.8156.8000109.3K386 Q513 D517K386-L515 HydrophobicContact CD-CD2 4.44Å; Q513-L515 PolarHBondContact O-N 3.43Å; L515-D517 PolarHBondContact O-N 2.92Å
516S37.9Very low54.4Low93 Ų93105.9 Ų105.965%0.6560%0.597SS**  trans-33.2130.9135.850.40000109.5V518S516-V518 WeakPolarHBondContact O-CG2 3.18Å; S516-V518 PolarHBondContact O-N 3.5Å; S516-V518 WeakPolarHBondContact OG-CG2 3.48Å
517D50.8Low57Low168 Ų168104.1 Ų104.190%0.89858%0.584SS**  trans-53.574.6172.2-78.9-40.4000111.3L515 P519L515-D517 PolarHBondContact O-N 2.92Å; D517-P519 WeakPolarHBondContact O-CD 3.29Å
518V59.6Low59.7Low44 Ų44105.1 Ų105.127%0.26758%0.581SS.*  trans-90.7112.4169.9-1740000104.3K386 S516K386-V518 HydrophobicContact CB-CG1 3.95Å; K386-V518 HydrophobicContact CD-CG1 4.36Å; K386-V518 HydrophobicContact CG-CG1 4.33Å; S516-V518 WeakPolarHBondContact O-CG2 3.18Å; S516-V518 PolarHBondContact O-N 3.5Å; S516-V518 WeakPolarHBondContact OG-CG2 3.48Å
519P73.6Confident62.1Low14 Ų1497.7 Ų97.79%0.09154%0.541CS..  trans-60.5144.1179.126.9-35.3000109.6L387 L392 Y395 D517L387-P519 HydrophobicContact CB-CG 4.34Å; L387-P519 VanDerWaalsContact CB-O 3.29Å; L387-P519 WeakPolarHBondContact CB-O 3.46Å; L387-P519 HydrophobicContact CD1-CB 3.81Å; L387-P519 HydrophobicContact CD1-CG 3.94Å; L387-P519 WeakPolarHBondContact CG-O 3.41Å; L387-P519 PolarHBondContact N-O 3.48Å; L392-P519 HydrophobicContact CD1-CG 3.2Å; Y395-P519 HydrophobicContact CD1-CB 3.47Å; Y395-P519 VanDerWaalsContact CD1-CB 3.47Å; Y395-P519 HydrophobicContact CD1-CG 3.49Å; Y395-P519 VanDerWaalsContact CD1-CG 3.49Å; Y395-P519 HydrophobicContact CD2-CB 4.14Å; Y395-P519 HydrophobicContact CE1-CB 3.41Å; Y395-P519 VanDerWaalsContact CE1-CB 3.41Å; Y395-P519 HydrophobicContact CE1-CG 3.87Å; Y395-P519 HydrophobicContact CE2-CB 4.08Å; Y395-P519 HydrophobicContact CG-CB 3.85Å; Y395-P519 HydrophobicContact CG-CG 3.97Å; D517-P519 WeakPolarHBondContact O-CD 3.29Å
520T77.9Confident64.9Low57 Ų5793.5 Ų93.535%0.3552%0.522SS..EExtended strand (participates in β ladder)trans-122.4157.5-173.4520000110.2R384 V385 K386R384-T520 VanDerWaalsContact CD-OG1 3.31Å; R384-T520 WeakPolarHBondContact CD-OG1 3.35Å; R384-T520 VanDerWaalsContact CG-CB 3.48Å; R384-T520 HydrophobicContact CG-CG2 4.06Å; V385-T520 CarbonylContact O-C 3.5Å; V385-T520 VanDerWaalsContact O-CA 3.28Å; V385-T520 WeakPolarHBondContact O-CA 3.21Å; V385-T520 WeakPolarHBondContact O-CB 3.48Å; K386-T520 HydrophobicContact CG-CG2 4.21Å
521K81.9Confident67.8Low110 Ų11088.7 Ų88.748%0.47849%0.489SS..EExtended strand (participates in β ladder)trans-131140.8175.3176.2-179.2177.9-176.30109.6R384 V385 L387R384-K521 WeakPolarHBondContact CA-O 3.34Å; V385-K521 PolarHBondContact N-O 3.44Å; V385-K521 PolarHBondContact O-N 2.99Å; L387-K521 HydrophobicContact CD2-CB 3.66Å; L387-K521 HydrophobicContact CD2-CD 4.3Å; L387-K521 HydrophobicContact CG-CB 4.45Å
522C81.3Confident70.6Confident42 Ų4287.2 Ų87.228%0.28448%0.479SS..EExtended strand (participates in β ladder)trans-88130.9174.3-60.20000110.3T108 E109 R384T108-C522 WeakPolarHBondContact O-CB 3.49Å; T108-C522 PolarHBondContact O-SG 2.97Å; T108-C522 VanDerWaalsContact O-SG 3.38Å; E109-C522 VanDerWaalsContact CA-SG 3.52Å; R384-C522 PolarHBondContact NE-SG 3.12Å
523I84.8Confident73.5Confident91 Ų9180 Ų8047%0.46744%0.442SS..EExtended strand (participates in β ladder)trans-112.6134.1175.4-54.1173.8000107R382 K383 V385R382-I523 WeakPolarHBondContact CA-O 3.28Å; K383-I523 PolarHBondContact N-O 3.34Å; K383-I523 PolarHBondContact O-N 3.49Å; V385-I523 HydrophobicContact CB-CD1 4.22Å; V385-I523 HydrophobicContact CG2-CD1 3.86Å
524S86.7Confident76.5Confident68 Ų6875.1 Ų75.148%0.47642%0.415SS..EExtended strand (participates in β ladder)trans-114132.7171.7167.60000109.5E380 L381E380-S524 WeakPolarHBondContact CG-OG 3.44Å; E380-S524 WeakPolarHBondContact OE1-CB 3.29Å; E380-S524 PolarHBondContact OE1-OG 2.93Å; L381-S524 WeakPolarHBondContact O-CA 3.13Å
525A87.1Confident79.2Confident46 Ų4670.1 Ų70.138%0.3839%0.39SS..EExtended strand (participates in β ladder)trans-141.6134.2173.200000110L381L381-A525 WeakPolarHBondContact CB-O 3.46Å; L381-A525 PolarHBondContact N-O 3.41Å; L381-A525 PolarHBondContact O-N 3Å
526T89.3Confident82.1Confident104 Ų10467.6 Ų67.664%0.63838%0.379SS*.EExtended strand (participates in β ladder)trans-88123.8174.3-50.20000109.7D378D378-T526 HydrophobicContact CB-CG2 4.24Å
527E87.1Confident84.9Confident100 Ų10065.9 Ų65.947%0.46736%0.359SS..EExtended strand (participates in β ladder)trans-124.7136.8175-69-164.1173.700111.3I379 L381I379-E527 PolarHBondContact N-O 3.18Å; I379-E527 PolarHBondContact O-N 2.67Å; L381-E527 HydrophobicContact CD1-CB 4.03Å; L381-E527 VanDerWaalsContact CD1-CD 3.41Å; L381-E527 HydrophobicContact CD1-CG 3.71Å; L381-E527 WeakPolarHBondContact CD1-OE2 3.36Å; L381-E527 HydrophobicContact CG-CB 4.43Å; L381-E527 HydrophobicContact CG-CG 4.44Å
528S88.2Confident87Confident87 Ų8758 Ų5861%0.60832%0.316SS*.EExtended strand (participates in β ladder)trans-82.3117.8171.4-51.30000109.7D378D378-S528 WeakPolarHBondContact OD1-CA 3.46Å; D378-S528 WeakPolarHBondContact OD1-CB 3.42Å; D378-S528 PolarHBondContact OD1-OG 2.8Å
529M86.3Confident88.7Confident8 Ų856 Ų564%0.03930%0.304CS..EExtended strand (participates in β ladder)trans-113.4136-178.1-58.6-167.779.100111.6I343 Q347 V376 I377 I379I343-M529 HydrophobicContact CB-SD 4.41Å; I343-M529 HydrophobicContact CG1-SD 4.35Å; I343-M529 HydrophobicContact CG2-CE 3.81Å; I343-M529 HydrophobicContact CG2-SD 3.87Å; I343-M529 VanDerWaalsContact O-CE 3.29Å; I343-M529 WeakPolarHBondContact O-CE 3.46Å; Q347-M529 HydrophobicContact CG-CE 4.07Å; Q347-M529 VanDerWaalsContact NE2-CE 3.28Å; V376-M529 WeakPolarHBondContact CA-O 3.35Å; I377-M529 PolarHBondContact N-O 2.88Å; I377-M529 PolarHBondContact O-N 2.82Å; I379-M529 HydrophobicContact CD1-SD 4.26Å
530E90.8Very high89.7Confident90 Ų9055.4 Ų55.442%0.42130%0.3SS..EExtended strand (participates in β ladder)trans-90.4118.1173.3-168.3-174.2-178.100110.6K375 V376 K532K375-E530 CarbonylContact O-C 3.54Å; K375-E530 VanDerWaalsContact O-CA 3.22Å; K375-E530 WeakPolarHBondContact O-CA 3.32Å; V376-E530 HydrophobicContact CG2-CG 4.47Å; E530-K532 HydrophobicContact CG-CG 4.33Å; E530-K532 PolarHBondContact O-N 3.35Å; E530-K532 WeakPolarHBondContact OE1-CE 3.44Å; E530-K532 WeakPolarHBondContact OE2-CE 3.45Å; E530-K532 IonicContact OE2-NZ 2.77Å; E530-K532 PolarHBondContact OE2-NZ 2.98Å
531I92.5Very high90.3Very high13 Ų1352.7 Ų52.77%0.06728%0.283CS..  trans-82.3107.5176.8-55.1176.8000109F342 L368 K375 I377 V535F342-I531 HydrophobicContact CZ-CD1 3.92Å; F342-I531 HydrophobicContact CZ-CG1 4.39Å; L368-I531 HydrophobicContact CD2-CD1 3.64Å; K375-I531 PolarHBondContact O-N 3.09Å; I377-I531 HydrophobicContact CD1-CD1 3.36Å; I377-I531 HydrophobicContact CG1-CD1 3.76Å; I531-V535 HydrophobicContact CG2-CG2 3.87Å
532K92.4Very high90.8Very high108 Ų10847.5 Ų47.547%0.4726%0.261SS..  trans-105.9-25.2174.4-62.3-177-178160.80112.6C346 Q347 S349 E530C346-K532 PolarHBondContact O-N 3.49Å; Q347-K532 WeakPolarHBondContact O-CD 3.37Å; S349-K532 WeakPolarHBondContact CA-O 3.36Å; E530-K532 HydrophobicContact CG-CG 4.33Å; E530-K532 PolarHBondContact O-N 3.35Å; E530-K532 WeakPolarHBondContact OE1-CE 3.44Å; E530-K532 WeakPolarHBondContact OE2-CE 3.45Å; E530-K532 IonicContact OE2-NZ 2.77Å; E530-K532 PolarHBondContact OE2-NZ 2.98Å
533A93Very high91.4Very high8 Ų845.7 Ų45.77%0.06625%0.248CC..SBendtrans-61.3151.6175.500000111.2C346 D348 N351 I353 V535C346-A533 WeakPolarHBondContact O-CB 3.31Å; C346-A533 PolarHBondContact O-N 2.9Å; D348-A533 WeakPolarHBondContact O-CA 3.44Å; D348-A533 WeakPolarHBondContact O-CB 3.02Å; D348-A533 PolarHBondContact O-N 3.04Å; N351-A533 HydrophobicContact CB-CB 4.18Å; N351-A533 WeakPolarHBondContact O-CA 3.47Å; I353-A533 HydrophobicContact CD1-CB 3.85Å; I353-A533 HydrophobicContact CG1-CB 4.47Å; A533-V535 PolarHBondContact O-N 2.88Å
534R94.4Very high91.8Very high82 Ų8241.7 Ų41.731%0.30923%0.229SC..EExtended strand (participates in β ladder)trans-76.5108.1176.3179.8171.466.9-172.61.1109.7N222 E225 T226 N351 S352 I353N222-R534 PolarHBondContact O-NH2 3.05Å; N222-R534 VanDerWaalsContact O-NH2 3.08Å; N222-R534 VanDerWaalsContact OD1-CZ 3.31Å; N222-R534 PolarHBondContact OD1-NE 3.31Å; N222-R534 PolarHBondContact OD1-NH2 2.99Å; E225-R534 VanDerWaalsContact CD-NH1 3.31Å; E225-R534 IonicContact OE1-NH1 3.54Å; E225-R534 IonicContact OE2-CZ 3.56Å; E225-R534 IonicContact OE2-NH1 3.85Å; E225-R534 PolarHBondContact OE2-NH1 3.35Å; E225-R534 IonicContact OE2-NH2 3.8Å; E225-R534 PolarHBondContact OE2-NH2 3.14Å; T226-R534 PolarHBondContact OG1-NH2 3.16Å; T226-R534 VanDerWaalsContact OG1-NH2 3.16Å; N351-R534 PolarHBondContact O-N 3.11Å; S352-R534 CarbonylContact C-O 3.51Å; S352-R534 VanDerWaalsContact CA-O 3.32Å; S352-R534 WeakPolarHBondContact CA-O 3.33Å; S352-R534 PolarHBondContact OG-O 3.09Å; I353-R534 PolarHBondContact N-O 3.18Å
535V94.4Very high92.1Very high43 Ų4339.3 Ų39.326%0.26121%0.21SC..EExtended strand (participates in β ladder)trans-89.4132.5171.8-1730000109.2I353 L355 L368 I531 A533I353-V535 HydrophobicContact CB-CG2 4.31Å; I353-V535 HydrophobicContact CD1-CG2 4.23Å; I353-V535 CarbonylContact O-C 3.59Å; I353-V535 WeakPolarHBondContact O-CA 3.09Å; L355-V535 HydrophobicContact CD1-CG1 4.14Å; L355-V535 HydrophobicContact CG-CG1 4.45Å; L368-V535 HydrophobicContact CB-CG1 4.24Å; I531-V535 HydrophobicContact CG2-CG2 3.87Å; A533-V535 PolarHBondContact O-N 2.88Å
536T95Very high92.2Very high44 Ų4437.2 Ų37.227%0.2719%0.193SC..EExtended strand (participates in β ladder)trans-143.4126.8178.8-52.70000110.5N222 I353 I354 L355 I538N222-T536 PolarHBondContact ND2-OG1 3.15Å; I353-T536 PolarHBondContact O-N 2.92Å; I354-T536 WeakPolarHBondContact CA-O 2.98Å; L355-T536 PolarHBondContact N-O 2.88Å; T536-I538 HydrophobicContact CG2-CD1 4.43Å; T536-I538 HydrophobicContact CG2-CG1 4.02Å
537Y95.6Very high92.3Very high57 Ų5737.8 Ų37.822%0.22419%0.192CC..EExtended strand (participates in β ladder)trans-84.2123.5168.9175.8-112.1000110.2L355 I369 D539L355-Y537 HydrophobicContact CB-CD2 4.2Å; L355-Y537 WeakPolarHBondContact O-CA 3.37Å; L355-Y537 WeakPolarHBondContact O-CD2 3.29Å; I369-Y537 HydrophobicContact CD1-CD2 3.68Å; I369-Y537 HydrophobicContact CD1-CE2 3.98Å; I369-Y537 HydrophobicContact CD1-CG 4.36Å; I369-Y537 HydrophobicContact CG1-CD2 3.88Å; I369-Y537 HydrophobicContact CG1-CG 4.13Å; I369-Y537 HydrophobicContact CG2-CD1 4.39Å; I369-Y537 HydrophobicContact CG2-CG 4.18Å; Y537-D539 HydrophobicContact CE1-CB 4Å
538I95.5Very high92.6Very high1 Ų134.1 Ų34.11%0.00518%0.178CC..  trans-127.6102.7171.2-60.9174.1000106.8R215 Q218 L219 I354 L355 T356 T536 Y540R215-I538 HydrophobicContact CG-CG2 3.93Å; Q218-I538 HydrophobicContact CG-CD1 4.15Å; Q218-I538 HydrophobicContact CG-CG1 4.38Å; Q218-I538 HydrophobicContact CG-CG2 4.28Å; Q218-I538 VanDerWaalsContact NE2-CG2 3.27Å; L219-I538 HydrophobicContact CB-CD1 4.12Å; L219-I538 HydrophobicContact CD1-CD1 4.1Å; I354-I538 HydrophobicContact CG2-CB 4.24Å; I354-I538 HydrophobicContact CG2-CD1 3.97Å; I354-I538 HydrophobicContact CG2-CG1 4.25Å; L355-I538 PolarHBondContact O-N 3.18Å; T356-I538 WeakPolarHBondContact CA-O 3.33Å; T536-I538 HydrophobicContact CG2-CD1 4.43Å; T536-I538 HydrophobicContact CG2-CG1 4.02Å; I538-Y540 HydrophobicContact CG2-CD2 3.74Å; I538-Y540 HydrophobicContact CG2-CE2 3.48Å; I538-Y540 VanDerWaalsContact CG2-CE2 3.48Å; I538-Y540 PolarHBondContact O-N 3.48Å; I538-Y540 VanDerWaalsContact O-N 3.16Å
539D94.6Very high92.7Very high3 Ų330.2 Ų30.22%0.01615%0.15CC..  trans-47.5123.3177164.621.4000110.4Q209 R215 Y537 E541Q209-D539 VanDerWaalsContact CG-OD2 3.23Å; Q209-D539 WeakPolarHBondContact CG-OD2 3.44Å; Q209-D539 PolarHBondContact NE2-OD2 3.08Å; R215-D539 WeakPolarHBondContact CD-O 3.45Å; R215-D539 IonicContact CZ-OD2 3.21Å; R215-D539 PolarHBondContact NE-O 3.27Å; R215-D539 PolarHBondContact NH1-O 2.93Å; R215-D539 IonicContact NH1-OD1 2.82Å; R215-D539 PolarHBondContact NH1-OD1 3.07Å; R215-D539 IonicContact NH1-OD2 2.76Å; R215-D539 PolarHBondContact NH1-OD2 3.07Å; R215-D539 PolarHBondContact NH2-O 3.26Å; Y537-D539 HydrophobicContact CE1-CB 4Å; D539-E541 WeakPolarHBondContact OD1-CG 3.38Å; D539-E541 PolarHBondContact OD1-N 3.36Å
540Y95Very high93Very high2 Ų231.5 Ų31.51%0.00816%0.155CC..  trans-137.224.6164.3-87.2-84.5000110.9R215 D216 L219 R242 L246 L249 T356 I538 G542R215-Y540 PolarHBondContact O-OH 3.2Å; D216-Y540 VanDerWaalsContact CA-OH 3.29Å; D216-Y540 WeakPolarHBondContact CA-OH 3.27Å; D216-Y540 PolarHBondContact N-OH 2.67Å; D216-Y540 PolarHBondContact OD1-OH 3.38Å; L219-Y540 HydrophobicContact CB-CE2 4.23Å; L219-Y540 HydrophobicContact CD2-CE2 3.72Å; L219-Y540 HydrophobicContact CG-CE2 4.43Å; R242-Y540 PolarHBondContact NE-O 3.09Å; R242-Y540 PolarHBondContact NH2-O 3.38Å; R242-Y540 VanDerWaalsContact NH2-O 3.09Å; L246-Y540 HydrophobicContact CD2-CD1 3.99Å; L246-Y540 HydrophobicContact CD2-CD2 3.93Å; L246-Y540 HydrophobicContact CD2-CE1 4.17Å; L246-Y540 HydrophobicContact CD2-CE2 4.08Å; L246-Y540 HydrophobicContact CD2-CG 3.89Å; L246-Y540 HydrophobicContact CG-CG 4.45Å; L249-Y540 HydrophobicContact CD2-CE1 3.99Å; T356-Y540 CarbonylContact O-C 3.55Å; T356-Y540 PolarHBondContact O-N 3.42Å; I538-Y540 HydrophobicContact CG2-CD2 3.74Å; I538-Y540 HydrophobicContact CG2-CE2 3.48Å; I538-Y540 VanDerWaalsContact CG2-CE2 3.48Å; I538-Y540 PolarHBondContact O-N 3.48Å; I538-Y540 VanDerWaalsContact O-N 3.16Å; Y540-G542 PolarHBondContact O-N 3.33Å
541E90.4Very high93Very high0 Ų034.2 Ų34.20%017%0.166CC..  trans-64.2-28.3-173.875.5-167.6148.800111.9H153 N204 R242 Y357 R358 D539 R543H153-E541 PolarHBondContact CE1-O 3.38Å; H153-E541 PolarHBondContact ND1-O 2.83Å; N204-E541 PolarHBondContact ND2-OE1 3.23Å; R242-E541 VanDerWaalsContact CD-O 3.28Å; R242-E541 WeakPolarHBondContact CD-O 3.39Å; R242-E541 PolarHBondContact NE-O 2.96Å; Y357-E541 HydrophobicContact CD2-CB 3.83Å; Y357-E541 HydrophobicContact CE2-CB 3.99Å; R358-E541 IonicContact NH2-OE1 3.96Å; R358-E541 PolarHBondContact NH2-OE1 3.3Å; D539-E541 WeakPolarHBondContact OD1-CG 3.38Å; D539-E541 PolarHBondContact OD1-N 3.36Å; E541-R543 HydrophobicContact CG-CB 4.08Å; E541-R543 HydrophobicContact CG-CG 4.07Å; E541-R543 IonicContact OE2-NH1 3.77Å; E541-R543 PolarHBondContact OE2-NH1 3.2Å
542G92.6Very high92.9Very high1 Ų134.9 Ų34.91%0.0117%0.169CC..  trans72.844.7175.800000112.4H153 N177 E181 Y540H153-G542 WeakPolarHBondContact CA-O 3.36Å; H153-G542 PolarHBondContact ND1-O 3.14Å; N177-G542 VanDerWaalsContact CB-O 3.27Å; N177-G542 WeakPolarHBondContact CB-O 3.44Å; N177-G542 PolarHBondContact ND2-O 3.36Å; E181-G542 WeakPolarHBondContact OE1-CA 3.25Å; Y540-G542 PolarHBondContact O-N 3.33Å
543R94.3Very high92.8Very high4 Ų429.9 Ų29.92%0.01515%0.147CC..  trans-114.3162.8172.4-68.5177.6172.9111.1-0.1110.8D175 Y357 E541D175-R543 IonicContact OD1-CZ 3.93Å; D175-R543 IonicContact OD1-NE 3.72Å; D175-R543 PolarHBondContact OD1-NE 3.44Å; D175-R543 IonicContact OD1-NH2 3.91Å; D175-R543 PolarHBondContact OD1-NH2 3.09Å; D175-R543 IonicContact OD2-CZ 3.68Å; D175-R543 IonicContact OD2-NE 3.67Å; D175-R543 PolarHBondContact OD2-NE 3.4Å; D175-R543 IonicContact OD2-NH2 2.72Å; D175-R543 PolarHBondContact OD2-NH2 3.02Å; Y357-R543 PolarHBondContact OH-NH1 3.48Å; Y357-R543 PolarHBondContact OH-NH2 2.93Å; E541-R543 HydrophobicContact CG-CB 4.08Å; E541-R543 HydrophobicContact CG-CG 4.07Å; E541-R543 IonicContact OE2-NH1 3.77Å; E541-R543 PolarHBondContact OE2-NH1 3.2Å
544S93.5Very high92.6Very high7 Ų732.4 Ų32.45%0.04916%0.16CC..  trans-69.3146.5172.6-61.90000112.1F176 N177 H178 N204F176-S544 WeakPolarHBondContact O-CB 3.34Å; F176-S544 PolarHBondContact O-N 3.39Å; F176-S544 PolarHBondContact O-OG 3.44Å; N177-S544 WeakPolarHBondContact CA-OG 3.49Å; H178-S544 PolarHBondContact N-OG 2.87Å; H178-S544 VanDerWaalsContact N-OG 3.09Å; H178-S544 WeakPolarHBondContact ND1-CB 3.08Å; H178-S544 PolarHBondContact ND1-OG 2.92Å; N204-S544 WeakPolarHBondContact CB-O 3.38Å
545D92.1Very high92.4Very high18 Ų1834.8 Ų34.810%0.09618%0.175CC..  trans-8016217253.8-78.4000112.6H178 K179 Q209 D547 S548 I549H178-D545 IonicContact CE1-OD1 3.04Å; H178-D545 PolarHBondContact CE1-OD1 3.08Å; H178-D545 VanDerWaalsContact CE1-OD1 3.28Å; H178-D545 IonicContact NE2-OD1 3.67Å; K179-D545 VanDerWaalsContact CE-OD1 3.31Å; K179-D545 WeakPolarHBondContact CE-OD1 3.37Å; K179-D545 IonicContact NZ-OD1 3.39Å; K179-D545 PolarHBondContact NZ-OD1 2.81Å; Q209-D545 HydrophobicContact CB-CB 3.82Å; D545-D547 PolarHBondContact O-N 2.83Å; D545-S548 VanDerWaalsContact CG-OG 3.23Å; D545-S548 PolarHBondContact O-N 3.26Å; D545-S548 PolarHBondContact OD1-OG 3.14Å; D545-S548 WeakPolarHBondContact OD2-CB 3.06Å; D545-S548 PolarHBondContact OD2-N 3.07Å; D545-S548 PolarHBondContact OD2-OG 3.27Å; D545-I549 WeakPolarHBondContact O-CG2 3.36Å; D545-I549 PolarHBondContact O-N 2.94Å
546G90.4Very high92.1Very high2 Ų233.6 Ų33.62%0.02117%0.167CC..Hα-helixtrans-54.6-42.8-177.100000114.9N204 A205 Y207 S548 I549 K550N204-G546 WeakPolarHBondContact O-CA 3.39Å; N204-G546 PolarHBondContact O-N 2.81Å; N204-G546 VanDerWaalsContact O-N 3.08Å; A205-G546 WeakPolarHBondContact O-CA 3.33Å; Y207-G546 PolarHBondContact O-N 2.76Å; G546-S548 VanDerWaalsContact C-N 3.33Å; G546-S548 PolarHBondContact O-N 2.93Å; G546-I549 WeakPolarHBondContact O-CG2 3.49Å; G546-K550 WeakPolarHBondContact O-CB 3.43Å; G546-K550 VanDerWaalsContact O-CD 3.27Å; G546-K550 WeakPolarHBondContact O-CD 3.45Å; G546-K550 WeakPolarHBondContact O-CG 3.39Å; G546-K550 PolarHBondContact O-N 2.79Å
547D91.3Very high91.7Very high115 Ų11537.1 Ų37.162%0.61518%0.178SC*.Hα-helixtrans-66.8-38.5178.5-70.5-27.4000111.6D545 K551D545-D547 PolarHBondContact O-N 2.83Å; D547-K551 VanDerWaalsContact O-CB 3.26Å; D547-K551 WeakPolarHBondContact O-CB 3.27Å; D547-K551 PolarHBondContact O-N 2.86Å
548S91.9Very high91.4Very high23 Ų2334.4 Ų34.416%0.16117%0.167CC..Hα-helixtrans-75-41.9-177.6-60.40000112.4H178 D545 G546 K551 I552H178-S548 WeakPolarHBondContact CE1-CB 3.45Å; H178-S548 PolarHBondContact CE1-OG 3.24Å; H178-S548 VanDerWaalsContact CE1-OG 3.23Å; H178-S548 PolarHBondContact NE2-OG 3.37Å; D545-S548 VanDerWaalsContact CG-OG 3.23Å; D545-S548 PolarHBondContact O-N 3.26Å; D545-S548 PolarHBondContact OD1-OG 3.14Å; D545-S548 WeakPolarHBondContact OD2-CB 3.06Å; D545-S548 PolarHBondContact OD2-N 3.07Å; D545-S548 PolarHBondContact OD2-OG 3.27Å; G546-S548 VanDerWaalsContact C-N 3.33Å; G546-S548 PolarHBondContact O-N 2.93Å; S548-K551 PolarHBondContact O-N 2.89Å; S548-I552 WeakPolarHBondContact O-CB 3.41Å; S548-I552 WeakPolarHBondContact O-CD1 3.12Å; S548-I552 WeakPolarHBondContact O-CG1 3.45Å; S548-I552 PolarHBondContact O-N 3.42Å
549I91.7Very high91.1Very high5 Ų539.5 Ų39.53%0.02619%0.186CC..Hα-helixtrans-60-46.9173.9-175.7166.4000110.9F176 D201 D545 G546 K551 I552 I553 L574F176-I549 HydrophobicContact CE1-CD1 4.35Å; F176-I549 HydrophobicContact CZ-CD1 4.25Å; F176-I549 HydrophobicContact CZ-CG1 3.97Å; D201-I549 VanDerWaalsContact O-CD1 3.25Å; D201-I549 WeakPolarHBondContact O-CD1 3.45Å; D545-I549 WeakPolarHBondContact O-CG2 3.36Å; D545-I549 PolarHBondContact O-N 2.94Å; G546-I549 WeakPolarHBondContact O-CG2 3.49Å; I549-K551 VanDerWaalsContact C-N 3.3Å; I549-K551 PolarHBondContact O-N 3.15Å; I549-I552 PolarHBondContact O-N 3.28Å; I549-I553 HydrophobicContact CG1-CD1 3.81Å; I549-I553 HydrophobicContact CG1-CG1 4.48Å; I549-I553 WeakPolarHBondContact O-CG1 3.12Å; I549-I553 PolarHBondContact O-N 2.9Å; I549-L574 HydrophobicContact CD1-CD2 4.34Å
550K91.7Very high91Very high35 Ų3539.6 Ų39.615%0.15219%0.187CC..Hα-helixtrans-58.5-42.3175.6-72.2166.6-178.3167.80111.6A205 G546 N554 D573 L574 C577A205-K550 WeakPolarHBondContact O-CE 3.48Å; A205-K550 PolarHBondContact O-NZ 2.55Å; G546-K550 WeakPolarHBondContact O-CB 3.43Å; G546-K550 VanDerWaalsContact O-CD 3.27Å; G546-K550 WeakPolarHBondContact O-CD 3.45Å; G546-K550 WeakPolarHBondContact O-CG 3.39Å; G546-K550 PolarHBondContact O-N 2.79Å; K550-N554 VanDerWaalsContact O-CB 3.25Å; K550-N554 WeakPolarHBondContact O-CB 3.38Å; K550-N554 PolarHBondContact O-N 2.85Å; K550-D573 VanDerWaalsContact CE-OD2 3.26Å; K550-D573 WeakPolarHBondContact CE-OD2 3.16Å; K550-D573 IonicContact NZ-OD1 2.66Å; K550-D573 IonicContact NZ-OD2 2.75Å; K550-D573 PolarHBondContact NZ-OD2 2.81Å; K550-L574 HydrophobicContact CG-CD1 3.64Å; K550-C577 HydrophobicContact CD-CB 4.24Å; K550-C577 VanDerWaalsContact CD-SG 3.53Å; K550-C577 HydrophobicContact CG-CB 4.35Å
551K91Very high90.9Very high147 Ų14739.5 Ų39.564%0.63919%0.187SC*.Hα-helixtrans-67-42.6178.6-173-179.7179.9-174.30112.7D547 S548 I549 N554 Q555D547-K551 VanDerWaalsContact O-CB 3.26Å; D547-K551 WeakPolarHBondContact O-CB 3.27Å; D547-K551 PolarHBondContact O-N 2.86Å; S548-K551 PolarHBondContact O-N 2.89Å; I549-K551 VanDerWaalsContact C-N 3.3Å; I549-K551 PolarHBondContact O-N 3.15Å; K551-N554 PolarHBondContact O-N 2.85Å; K551-Q555 WeakPolarHBondContact O-CB 3.38Å; K551-Q555 PolarHBondContact O-N 2.8Å
552I90.9Very high91.2Very high27 Ų2739.5 Ų39.514%0.13819%0.187CC..Hα-helixtrans-64.1-47.8179.4-70.5163.5000110.1F176 H178 L189 S548 I549 N554 Q555 M556F176-I552 HydrophobicContact CE2-CD1 3.85Å; H178-I552 HydrophobicContact CB-CD1 3.64Å; L189-I552 HydrophobicContact CB-CG2 4.33Å; L189-I552 HydrophobicContact CD1-CG2 3.77Å; S548-I552 WeakPolarHBondContact O-CB 3.41Å; S548-I552 WeakPolarHBondContact O-CD1 3.12Å; S548-I552 WeakPolarHBondContact O-CG1 3.45Å; S548-I552 PolarHBondContact O-N 3.42Å; I549-I552 PolarHBondContact O-N 3.28Å; I552-N554 VanDerWaalsContact C-N 3.3Å; I552-N554 PolarHBondContact O-N 2.99Å; I552-Q555 WeakPolarHBondContact O-CB 3.31Å; I552-Q555 PolarHBondContact O-N 3.47Å; I552-Q555 VanDerWaalsContact O-N 3.09Å; I552-M556 HydrophobicContact CG2-CG 4.49Å; I552-M556 HydrophobicContact CG2-SD 3.92Å; I552-M556 WeakPolarHBondContact O-CG 3.33Å; I552-M556 PolarHBondContact O-N 2.93Å
553I90.3Very high91.3Very high3 Ų339.6 Ų39.62%0.01519%0.187CC..Hα-helixtrans-61.2-41.7177.4-64.2167.5000110.8L198 T200 I549 Q555 M556 K557 P558 L561 L574L198-I553 HydrophobicContact CD2-CG1 4.15Å; T200-I553 HydrophobicContact CG2-CD1 4.03Å; I549-I553 HydrophobicContact CG1-CD1 3.81Å; I549-I553 HydrophobicContact CG1-CG1 4.48Å; I549-I553 WeakPolarHBondContact O-CG1 3.12Å; I549-I553 PolarHBondContact O-N 2.9Å; I553-Q555 VanDerWaalsContact C-N 3.29Å; I553-Q555 PolarHBondContact O-N 3.41Å; I553-M556 PolarHBondContact O-N 2.87Å; I553-K557 PolarHBondContact O-N 3.4Å; I553-P558 HydrophobicContact CG2-CG 4.22Å; I553-P558 WeakPolarHBondContact O-CD 3.46Å; I553-L561 HydrophobicContact CG2-CD2 4.11Å; I553-L574 HydrophobicContact CD1-CD1 4.14Å; I553-L574 HydrophobicContact CD1-CD2 4.36Å
554N89.2Confident91.2Very high62 Ų6239.5 Ų39.533%0.33219%0.186SC..Hα-helixtrans-65.6-30.6176.8-170.522.8000113.1K550 K551 I552 K557K550-N554 VanDerWaalsContact O-CB 3.25Å; K550-N554 WeakPolarHBondContact O-CB 3.38Å; K550-N554 PolarHBondContact O-N 2.85Å; K551-N554 PolarHBondContact O-N 2.85Å; I552-N554 VanDerWaalsContact C-N 3.3Å; I552-N554 PolarHBondContact O-N 2.99Å; N554-K557 WeakPolarHBondContact O-CG 3.14Å
555Q88.6Confident91Very high131 Ų13139.4 Ų39.461%0.61219%0.185SC*.Hα-helixtrans-74-40.9174.1-177.4176.1-2000111.9K551 I552 I553K551-Q555 WeakPolarHBondContact O-CB 3.38Å; K551-Q555 PolarHBondContact O-N 2.8Å; I552-Q555 WeakPolarHBondContact O-CB 3.31Å; I552-Q555 PolarHBondContact O-N 3.47Å; I552-Q555 VanDerWaalsContact O-N 3.09Å; I553-Q555 VanDerWaalsContact C-N 3.29Å; I553-Q555 PolarHBondContact O-N 3.41Å
556M87.9Confident90.9Very high19 Ų1938.6 Ų38.69%0.09418%0.181CC..Hα-helixtrans-70.5-34.8179.9-69.717668.800113.1L189 L192 P195 L198 I552 I553L189-M556 HydrophobicContact CB-SD 4.26Å; L189-M556 HydrophobicContact CD2-CE 4.22Å; L189-M556 HydrophobicContact CD2-SD 4.17Å; L192-M556 HydrophobicContact CB-CE 4.15Å; L192-M556 HydrophobicContact CD1-CE 4.01Å; P195-M556 HydrophobicContact CG-CE 4.05Å; L198-M556 HydrophobicContact CD1-CE 4.34Å; L198-M556 HydrophobicContact CD2-CE 4.34Å; L198-M556 HydrophobicContact CD2-SD 4.44Å; I552-M556 HydrophobicContact CG2-CG 4.49Å; I552-M556 HydrophobicContact CG2-SD 3.92Å; I552-M556 WeakPolarHBondContact O-CG 3.33Å; I552-M556 PolarHBondContact O-N 2.93Å; I553-M556 PolarHBondContact O-N 2.87Å
557K87.7Confident90.9Very high118 Ų11840.1 Ų40.151%0.51319%0.191SC..  trans52.153-178.4-59.5-173.1176.3-176.90114.3R194 I553 N554R194-K557 WeakPolarHBondContact CG-O 3.35Å; R194-K557 PolarHBondContact NE-O 2.89Å; I553-K557 PolarHBondContact O-N 3.4Å; N554-K557 WeakPolarHBondContact O-CG 3.14Å
558P90.1Very high90.9Very high0 Ų038 Ų380%018%0.183CC..  trans-55.3146.3179.728.9-37.6000111.5P195 L198 I553 L561 I586P195-P558 HydrophobicContact CG-CB 3.9Å; L198-P558 HydrophobicContact CB-CB 3.82Å; L198-P558 HydrophobicContact CB-CG 4.21Å; L198-P558 HydrophobicContact CD2-CG 4.18Å; I553-P558 HydrophobicContact CG2-CG 4.22Å; I553-P558 WeakPolarHBondContact O-CD 3.46Å; P558-L561 HydrophobicContact CG-CB 4.45Å; P558-L561 HydrophobicContact CG-CD1 4.5Å; P558-I586 WeakPolarHBondContact O-CG1 3.43Å
559R89Confident90.9Very high107 Ų10744.9 Ų44.940%0.40421%0.213SC..SBendtrans-69.2-40.5175.7-61.8-178.3-174.4-121.96.5111E168 P195 K587E168-R559 VanDerWaalsContact CD-NH2 3.31Å; E168-R559 IonicContact OE1-CZ 3.9Å; E168-R559 IonicContact OE1-NE 2.88Å; E168-R559 IonicContact OE1-NH2 3.89Å; E168-R559 PolarHBondContact OE1-NH2 2.78Å; E168-R559 IonicContact OE2-CZ 2.81Å; E168-R559 IonicContact OE2-NE 2.77Å; E168-R559 PolarHBondContact OE2-NE 3.49Å; E168-R559 IonicContact OE2-NH2 3.71Å; E168-R559 PolarHBondContact OE2-NH2 2.94Å; P195-R559 PolarHBondContact O-N 2.78Å; R559-K587 PolarHBondContact O-N 2.83Å
560Q91.5Very high90.9Very high6 Ų644.6 Ų44.63%0.02821%0.211CC..EExtended strand (participates in β ladder)trans-130.1141.5175.5-51.3-165.911.600110.1S196 L197 L198 K587 Y589 A599 T600S196-Q560 WeakPolarHBondContact O-CB 3.39Å; S196-Q560 PolarHBondContact O-N 2.93Å; L197-Q560 WeakPolarHBondContact CA-O 3.22Å; L197-Q560 HydrophobicContact CD1-CB 4.06Å; L198-Q560 PolarHBondContact N-O 2.61Å; Q560-K587 CarbonylContact C-O 3.59Å; Q560-K587 WeakPolarHBondContact CA-O 3.47Å; Q560-K587 HydrophobicContact CG-CB 4.41Å; Q560-Y589 HydrophobicContact CB-CE2 4.48Å; Q560-A599 VanDerWaalsContact CD-O 3.3Å; Q560-A599 PolarHBondContact NE2-O 2.94Å; Q560-A599 VanDerWaalsContact OE1-C 3.23Å; Q560-A599 VanDerWaalsContact OE1-CB 3.29Å; Q560-A599 PolarHBondContact OE1-O 2.97Å; Q560-T600 PolarHBondContact NE2-O 3.46Å
561L93.8Very high91Very high0 Ų043.4 Ų43.40%021%0.207CC..EExtended strand (participates in β ladder)trans-129124.7-179.6-18066.6000108.5L198 T200 I553 P558 I563 C578 I586 K587 V588 Y589L198-L561 HydrophobicContact CB-CD1 3.95Å; L198-L561 HydrophobicContact CD2-CD1 3.84Å; L198-L561 HydrophobicContact CG-CD1 3.88Å; L198-L561 CarbonylContact O-C 3.6Å; L198-L561 WeakPolarHBondContact O-CA 3.14Å; T200-L561 HydrophobicContact CG2-CD1 3.71Å; I553-L561 HydrophobicContact CG2-CD2 4.11Å; P558-L561 HydrophobicContact CG-CB 4.45Å; P558-L561 HydrophobicContact CG-CD1 4.5Å; L561-I563 HydrophobicContact CD2-CD1 4.34Å; L561-I563 HydrophobicContact CD2-CG1 4.19Å; L561-I563 HydrophobicContact CG-CG1 4.17Å; L561-C578 HydrophobicContact CD2-CB 3.9Å; L561-I586 HydrophobicContact CB-CG2 4.31Å; L561-K587 PolarHBondContact N-O 3.01Å; L561-V588 HydrophobicContact CB-CG2 4.27Å; L561-V588 HydrophobicContact CD2-CG1 4.14Å; L561-V588 HydrophobicContact CD2-CG2 4.2Å; L561-V588 HydrophobicContact CG-CG1 4.45Å; L561-V588 CarbonylContact O-C 3.39Å; L561-V588 WeakPolarHBondContact O-CA 3.42Å; L561-Y589 PolarHBondContact O-N 2.81Å
562I95.4Very high91.1Very high0 Ų040 Ų400%019%0.193CC..EExtended strand (participates in β ladder)trans-108.9122.8167.5-60172.2000107.3L7 L197 L198 I199 T200 V564 Y589 P591 V597 A599L7-I562 HydrophobicContact CB-CD1 4.01Å; L7-I562 HydrophobicContact CD2-CB 4.44Å; L7-I562 HydrophobicContact CD2-CD1 3.72Å; L7-I562 HydrophobicContact CD2-CG2 3.83Å; L197-I562 HydrophobicContact CD1-CD1 3.71Å; L197-I562 HydrophobicContact CD1-CG1 3.74Å; L197-I562 HydrophobicContact CD2-CD1 4.25Å; L198-I562 PolarHBondContact O-N 3.11Å; I199-I562 WeakPolarHBondContact CA-O 3.47Å; I199-I562 HydrophobicContact CG1-CB 4.37Å; I199-I562 HydrophobicContact CG1-CD1 4.47Å; T200-I562 PolarHBondContact N-O 2.86Å; I562-V564 HydrophobicContact CG2-CG1 3.89Å; I562-Y589 HydrophobicContact CG1-CD2 3.96Å; I562-Y589 HydrophobicContact CG1-CG 4.48Å; I562-P591 HydrophobicContact CG2-CG 3.87Å; I562-V597 HydrophobicContact CD1-CB 4.44Å; I562-V597 HydrophobicContact CD1-CG1 4.1Å; I562-V597 HydrophobicContact CG1-CG1 4.4Å; I562-A599 HydrophobicContact CD1-CB 4.28Å
563I95Very high91.2Very high3 Ų341.3 Ų41.32%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-94.8113.7174.3-61.5167.4000107S202 L561 L574 A575 V588 Y589 M590S202-I563 VanDerWaalsContact CB-CG2 3.49Å; S202-I563 WeakPolarHBondContact OG-CG2 3.41Å; L561-I563 HydrophobicContact CD2-CD1 4.34Å; L561-I563 HydrophobicContact CD2-CG1 4.19Å; L561-I563 HydrophobicContact CG-CG1 4.17Å; I563-L574 HydrophobicContact CD1-CB 4.09Å; I563-L574 HydrophobicContact CD1-CD2 4.11Å; I563-L574 HydrophobicContact CD1-CG 3.96Å; I563-L574 HydrophobicContact CG1-CD2 4.17Å; I563-L574 HydrophobicContact CG2-CD2 4.26Å; I563-A575 HydrophobicContact CD1-CB 3.7Å; I563-V588 HydrophobicContact CD1-CG1 3.64Å; I563-V588 HydrophobicContact CG1-CG1 4.26Å; I563-Y589 PolarHBondContact N-O 3.23Å; I563-M590 HydrophobicContact CB-CG 4.46Å
564V93.2Very high91.3Very high1 Ų141.2 Ų41.21%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-109.1175.1171.4-59.40000108.8L7 V13 Y21 V174 I199 T200 D201 S202 I562L7-V564 HydrophobicContact CD2-CG1 4.32Å; V13-V564 HydrophobicContact CG2-CB 4.3Å; V13-V564 HydrophobicContact CG2-CG1 4.48Å; Y21-V564 HydrophobicContact CD1-CG1 4.46Å; Y21-V564 HydrophobicContact CE1-CB 3.92Å; Y21-V564 HydrophobicContact CE1-CG1 3.98Å; Y21-V564 HydrophobicContact CE1-CG2 4.44Å; Y21-V564 HydrophobicContact CE2-CB 4.38Å; Y21-V564 HydrophobicContact CE2-CG2 4Å; Y21-V564 WeakPolarHBondContact OH-CB 3.46Å; Y21-V564 WeakPolarHBondContact OH-CG2 3.39Å; V174-V564 HydrophobicContact CG1-CG2 4.12Å; I199-V564 HydrophobicContact CG2-CG1 3.9Å; I199-V564 HydrophobicContact CG2-CG2 3.87Å; T200-V564 WeakPolarHBondContact O-CG2 3.26Å; T200-V564 PolarHBondContact O-N 3.38Å; D201-V564 CarbonylContact C-O 3.59Å; D201-V564 VanDerWaalsContact CA-O 3.22Å; D201-V564 WeakPolarHBondContact CA-O 3.42Å; S202-V564 PolarHBondContact N-O 2.85Å; I562-V564 HydrophobicContact CG2-CG1 3.89Å
565H89Confident91.5Very high6 Ų638.2 Ų38.23%0.02819%0.185CC..SBendtrans47.9135.3172.5-167.158.3000118.8G12 E15 S17 L19 D201 S202 F203G12-H565 WeakPolarHBondContact O-CA 3.38Å; G12-H565 PolarHBondContact O-N 3.27Å; E15-H565 PolarHBondContact O-ND1 3.29Å; S17-H565 PolarHBondContact O-CE1 3.32Å; S17-H565 VanDerWaalsContact O-CE1 3.3Å; S17-H565 PolarHBondContact O-ND1 3.23Å; L19-H565 HydrophobicContact CD2-CB 3.77Å; L19-H565 VanDerWaalsContact CD2-CG 3.48Å; L19-H565 VanDerWaalsContact CD2-ND1 3.31Å; L19-H565 WeakPolarHBondContact CD2-ND1 3.19Å; D201-H565 HydrophobicContact CB-CB 4.02Å; S202-H565 CarbonylContact C-O 3.57Å; S202-H565 WeakPolarHBondContact CA-O 3.27Å; S202-H565 PolarHBondContact N-O 3.09Å; S202-H565 PolarHBondContact OG-O 2.94Å; F203-H565 AromaticContact CD2-NE2 3.55Å; F203-H565 AromaticContact CG-NE2 3.99Å; F203-H565 PolarHBondContact N-O 2.99Å
566G88.6Confident91.6Very high0 Ų037.2 Ų37.20%018%0.18CC..SBendtrans104.6171.2178.600000113.3Q14 E15Q14-G566 CarbonylContact C-O 3.58Å; Q14-G566 WeakPolarHBondContact CA-O 3.4Å; E15-G566 PolarHBondContact N-O 3.21Å; E15-G566 PolarHBondContact O-N 2.86Å
567P90.6Very high91.8Very high35 Ų3537.3 Ų37.323%0.22718%0.182CC..  trans-70.8149.9-171.326.1-31.7000111.5E569 A570 S571P567-E569 PolarHBondContact O-N 3.28Å; P567-E569 VanDerWaalsContact O-N 3.12Å; P567-A570 HydrophobicContact CG-CB 3.77Å; P567-A570 PolarHBondContact O-N 2.85Å; P567-S571 PolarHBondContact O-N 2.93Å; P567-S571 PolarHBondContact O-OG 3.24Å
568P91.4Very high91.8Very high71 Ų7132 Ų3246%0.46116%0.16SC..Hα-helixtrans-56.3-35.4-176.4-24.433.1000113.5Q14 S571 Q572Q14-P568 HydrophobicContact CB-CG 4.03Å; Q14-P568 HydrophobicContact CG-CG 4.41Å; Q14-P568 WeakPolarHBondContact O-CD 3.48Å; P568-S571 PolarHBondContact O-N 3.07Å; P568-Q572 WeakPolarHBondContact O-CB 3.18Å; P568-Q572 PolarHBondContact O-N 3.32Å
569E92.4Very high91.8Very high166 Ų16636.8 Ų36.878%0.77618%0.178SC*.Hα-helixtrans-62.9-41.7177.6-60.2-173.7173.200111.8P567 D573P567-E569 PolarHBondContact O-N 3.28Å; P567-E569 VanDerWaalsContact O-N 3.12Å; E569-D573 WeakPolarHBondContact O-CB 3.34Å; E569-D573 PolarHBondContact O-N 2.83Å; E569-D573 VanDerWaalsContact O-N 3.12Å
570A92.4Very high91.6Very high0 Ų035.5 Ų35.50%019%0.19CC..Hα-helixtrans-74.9-37.9179.500000111.9S202 A205 T206 P567 Q572 D573 L574S202-A570 WeakPolarHBondContact O-CB 3.41Å; A205-A570 HydrophobicContact CB-CB 4.21Å; T206-A570 HydrophobicContact CG2-CB 4.07Å; P567-A570 HydrophobicContact CG-CB 3.77Å; P567-A570 PolarHBondContact O-N 2.85Å; A570-Q572 VanDerWaalsContact C-N 3.33Å; A570-Q572 PolarHBondContact O-N 2.81Å; A570-D573 PolarHBondContact O-N 3.2Å; A570-L574 WeakPolarHBondContact O-CB 3.39Å; A570-L574 PolarHBondContact O-N 3.09Å
571S93.2Very high91Very high9 Ų941.3 Ų41.36%0.06322%0.215CC..Hα-helixtrans-61.5-42.4173.7-50.70000111.7S202 P567 P568 L574 A575S202-S571 WeakPolarHBondContact OG-CA 3.2Å; S202-S571 WeakPolarHBondContact OG-CB 3.48Å; S202-S571 PolarHBondContact OG-OG 3.33Å; P567-S571 PolarHBondContact O-N 2.93Å; P567-S571 PolarHBondContact O-OG 3.24Å; P568-S571 PolarHBondContact O-N 3.07Å; S571-L574 PolarHBondContact O-N 3.27Å; S571-A575 VanDerWaalsContact O-CB 3.29Å; S571-A575 WeakPolarHBondContact O-CB 3.31Å; S571-A575 PolarHBondContact O-N 3.48Å
572Q93.2Very high89.7Confident75 Ų7542.3 Ų42.335%0.3523%0.226SC..Hα-helixtrans-64.9-45.6177.5-176.467.816.500111.8P568 A570 L574 A575 E576P568-Q572 WeakPolarHBondContact O-CB 3.18Å; P568-Q572 PolarHBondContact O-N 3.32Å; A570-Q572 VanDerWaalsContact C-N 3.33Å; A570-Q572 PolarHBondContact O-N 2.81Å; Q572-L574 PolarHBondContact O-N 2.97Å; Q572-A575 PolarHBondContact O-N 2.92Å; Q572-E576 PolarHBondContact NE2-OE1 2.74Å; Q572-E576 WeakPolarHBondContact O-CG 3.23Å; Q572-E576 PolarHBondContact O-N 3.03Å
573D93.5Very high88.2Confident56 Ų5644.4 Ų44.430%0.29925%0.248SC..Hα-helixtrans-60.8-43.3177.6173.870.1000112T206 K550 E569 A570 C577T206-D573 HydrophobicContact CG2-CB 3.83Å; K550-D573 VanDerWaalsContact CE-OD2 3.26Å; K550-D573 WeakPolarHBondContact CE-OD2 3.16Å; K550-D573 IonicContact NZ-OD1 2.66Å; K550-D573 IonicContact NZ-OD2 2.75Å; K550-D573 PolarHBondContact NZ-OD2 2.81Å; E569-D573 WeakPolarHBondContact O-CB 3.34Å; E569-D573 PolarHBondContact O-N 2.83Å; E569-D573 VanDerWaalsContact O-N 3.12Å; A570-D573 PolarHBondContact O-N 3.2Å; D573-C577 WeakPolarHBondContact O-CB 3.2Å; D573-C577 PolarHBondContact O-N 3.05Å
574L92.7Very high86.7Confident0 Ų054.3 Ų54.30%029%0.291CS..Hα-helixtrans-63.5-43.4174-172.459000111.6A205 I549 K550 I553 I563 A570 S571 Q572 C577 C578A205-L574 HydrophobicContact CB-CB 3.87Å; A205-L574 HydrophobicContact CB-CD1 4.48Å; A205-L574 HydrophobicContact CB-CD2 4.36Å; A205-L574 HydrophobicContact CB-CG 4.46Å; I549-L574 HydrophobicContact CD1-CD2 4.34Å; K550-L574 HydrophobicContact CG-CD1 3.64Å; I553-L574 HydrophobicContact CD1-CD1 4.14Å; I553-L574 HydrophobicContact CD1-CD2 4.36Å; I563-L574 HydrophobicContact CD1-CB 4.09Å; I563-L574 HydrophobicContact CD1-CD2 4.11Å; I563-L574 HydrophobicContact CD1-CG 3.96Å; I563-L574 HydrophobicContact CG1-CD2 4.17Å; I563-L574 HydrophobicContact CG2-CD2 4.26Å; A570-L574 WeakPolarHBondContact O-CB 3.39Å; A570-L574 PolarHBondContact O-N 3.09Å; S571-L574 PolarHBondContact O-N 3.27Å; Q572-L574 PolarHBondContact O-N 2.97Å; L574-C577 WeakPolarHBondContact O-CB 3.41Å; L574-C577 PolarHBondContact O-N 3.46Å; L574-C578 WeakPolarHBondContact O-CB 3.31Å; L574-C578 PolarHBondContact O-N 3.21Å; L574-C578 PolarHBondContact O-SG 3.41Å
575A92.5Very high85.7Confident0 Ų059.9 Ų59.90%032%0.321CS..Hα-helixtrans-64.9-44.3-17900000112.6I563 S571 Q572 C577 C578 R579 V588 M590I563-A575 HydrophobicContact CD1-CB 3.7Å; S571-A575 VanDerWaalsContact O-CB 3.29Å; S571-A575 WeakPolarHBondContact O-CB 3.31Å; S571-A575 PolarHBondContact O-N 3.48Å; Q572-A575 PolarHBondContact O-N 2.92Å; A575-C577 VanDerWaalsContact C-N 3.34Å; A575-C578 PolarHBondContact O-N 3.36Å; A575-R579 WeakPolarHBondContact O-CB 3.35Å; A575-R579 VanDerWaalsContact O-CG 3.22Å; A575-R579 WeakPolarHBondContact O-CG 3.45Å; A575-R579 PolarHBondContact O-N 2.63Å; A575-V588 HydrophobicContact CB-CG1 3.89Å; A575-M590 HydrophobicContact CB-CE 4.36Å; A575-M590 HydrophobicContact CB-CG 4.13Å; A575-M590 HydrophobicContact CB-SD 3.4Å; A575-M590 WeakPolarHBondContact CB-SD 3.44Å
576E91.6Very high85.6Confident110 Ų11060.6 Ų60.651%0.51432%0.324SS..Hα-helixtrans-62.8-42.8176-73.5-176.8-17200111.3Q572 R579 A580Q572-E576 PolarHBondContact NE2-OE1 2.74Å; Q572-E576 WeakPolarHBondContact O-CG 3.23Å; Q572-E576 PolarHBondContact O-N 3.03Å; E576-R579 PolarHBondContact O-N 2.92Å; E576-A580 VanDerWaalsContact O-CB 3.28Å; E576-A580 WeakPolarHBondContact O-CB 3.47Å; E576-A580 PolarHBondContact O-N 3.11Å
577C90.1Very high85.6Confident20 Ų2064.8 Ų64.814%0.13534%0.342CS..Hα-helixtrans-59.9-48.6176.1-176.20000112.3K550 D573 L574 A575 R579 A580 F581K550-C577 HydrophobicContact CD-CB 4.24Å; K550-C577 VanDerWaalsContact CD-SG 3.53Å; K550-C577 HydrophobicContact CG-CB 4.35Å; D573-C577 WeakPolarHBondContact O-CB 3.2Å; D573-C577 PolarHBondContact O-N 3.05Å; L574-C577 WeakPolarHBondContact O-CB 3.41Å; L574-C577 PolarHBondContact O-N 3.46Å; A575-C577 VanDerWaalsContact C-N 3.34Å; C577-R579 PolarHBondContact O-N 3.48Å; C577-A580 PolarHBondContact O-N 3.23Å; C577-F581 VanDerWaalsContact O-CD2 3.25Å; C577-F581 WeakPolarHBondContact O-CD2 3.26Å; C577-F581 PolarHBondContact O-N 2.96Å; C577-F581 WeakPolarHBondContact SG-CD2 3.33Å; C577-F581 WeakPolarHBondContact SG-CE2 3.48Å
578C89Confident85.7Confident8 Ų863.8 Ų63.85%0.05434%0.336CS..Hα-helixtrans-65.9-37.9178.7-68.60000112.5L561 L574 A575 G582 V588L561-C578 HydrophobicContact CD2-CB 3.9Å; L574-C578 WeakPolarHBondContact O-CB 3.31Å; L574-C578 PolarHBondContact O-N 3.21Å; L574-C578 PolarHBondContact O-SG 3.41Å; A575-C578 PolarHBondContact O-N 3.36Å; C578-G582 WeakPolarHBondContact O-CA 3.42Å; C578-G582 PolarHBondContact O-N 2.95Å; C578-V588 HydrophobicContact CB-CG2 4.08Å
579R88.8Confident85.8Confident100 Ų10063.4 Ų63.438%0.37733%0.325SS..Hα-helixtrans-67.2-36.9174.2-71.3172.5-169.8136.43.5112.1A575 E576 C577 V588A575-R579 WeakPolarHBondContact O-CB 3.35Å; A575-R579 VanDerWaalsContact O-CG 3.22Å; A575-R579 WeakPolarHBondContact O-CG 3.45Å; A575-R579 PolarHBondContact O-N 2.63Å; E576-R579 PolarHBondContact O-N 2.92Å; C577-R579 PolarHBondContact O-N 3.48Å; R579-V588 HydrophobicContact CG-CB 4.25Å; R579-V588 HydrophobicContact CG-CG2 3.95Å; R579-V588 PolarHBondContact NH2-O 3.28Å; R579-V588 VanDerWaalsContact NH2-O 3.09Å
580A86.6Confident85.8Confident80 Ų8058.1 Ų58.166%0.66130%0.302SS*.Hα-helixtrans-70.4-43.417900000112.4E576 C577E576-A580 VanDerWaalsContact O-CB 3.28Å; E576-A580 WeakPolarHBondContact O-CB 3.47Å; E576-A580 PolarHBondContact O-N 3.11Å; C577-A580 PolarHBondContact O-N 3.23Å
581F77.3Confident85.9Confident127 Ų12758.2 Ų58.256%0.55730%0.302SS*.Hα-helixtrans-83.5-32.5-178.2-67.8-48.9000114.1C577C577-F581 VanDerWaalsContact O-CD2 3.25Å; C577-F581 WeakPolarHBondContact O-CD2 3.26Å; C577-F581 PolarHBondContact O-N 2.96Å; C577-F581 WeakPolarHBondContact SG-CD2 3.33Å; C577-F581 WeakPolarHBondContact SG-CE2 3.48Å
582G67.4Low85.9Confident22 Ų2263.9 Ų63.923%0.22733%0.326CS..Hα-helixtrans-78.9-13.3-174.700000115.7C578C578-G582 WeakPolarHBondContact O-CA 3.42Å; C578-G582 PolarHBondContact O-N 2.95Å
583G64.7Low85.7Confident44 Ų4464.2 Ų64.245%0.45433%0.33SS..G310 helixtrans69.1-162-171.900000112.7D585G583-D585 PolarHBondContact O-N 3.12Å
584K63Low85.6Confident210 Ų21066 Ų6691%0.91334%0.336SS*.G310 helixtrans-72.5-3.8-178.9-72-173.6176.8-177.80114.5
585D71.9Confident85.6Confident119 Ų11970 Ų7064%0.63635%0.354SS*.G310 helixtrans-96.4-12-166.7-61.7-13.6000113.7G583G583-D585 PolarHBondContact O-N 3.12Å
586I86.1Confident85.6Confident20 Ų2073.2 Ų73.210%0.10337%0.374CS..  trans-101.4117.8177.3-52.1-169.9000109.6P558 L561 V588P558-I586 WeakPolarHBondContact O-CG1 3.43Å; L561-I586 HydrophobicContact CB-CG2 4.31Å; I586-V588 HydrophobicContact CG2-CG2 3.86Å
587K89.3Confident85.7Confident88 Ų8868.4 Ų68.438%0.38335%0.352SS..EExtended strand (participates in β ladder)trans-85.6118.6169.8-62.4-179.1-175175.80109R559 Q560 L561 Y589R559-K587 PolarHBondContact O-N 2.83Å; Q560-K587 CarbonylContact C-O 3.59Å; Q560-K587 WeakPolarHBondContact CA-O 3.47Å; Q560-K587 HydrophobicContact CG-CB 4.41Å; L561-K587 PolarHBondContact N-O 3.01Å; K587-Y589 HydrophobicContact CB-CE2 4.04Å
588V92.7Very high85.7Confident14 Ų1470.8 Ų70.89%0.08536%0.364CS..EExtended strand (participates in β ladder)trans-112.8121.3-179.3-174.90000110.3L561 I563 A575 C578 R579 I586L561-V588 HydrophobicContact CB-CG2 4.27Å; L561-V588 HydrophobicContact CD2-CG1 4.14Å; L561-V588 HydrophobicContact CD2-CG2 4.2Å; L561-V588 HydrophobicContact CG-CG1 4.45Å; L561-V588 CarbonylContact O-C 3.39Å; L561-V588 WeakPolarHBondContact O-CA 3.42Å; I563-V588 HydrophobicContact CD1-CG1 3.64Å; I563-V588 HydrophobicContact CG1-CG1 4.26Å; A575-V588 HydrophobicContact CB-CG1 3.89Å; C578-V588 HydrophobicContact CB-CG2 4.08Å; R579-V588 HydrophobicContact CG-CB 4.25Å; R579-V588 HydrophobicContact CG-CG2 3.95Å; R579-V588 PolarHBondContact NH2-O 3.28Å; R579-V588 VanDerWaalsContact NH2-O 3.09Å; I586-V588 HydrophobicContact CG2-CG2 3.86Å
589Y93.8Very high85.5Confident63 Ų6370.5 Ų70.525%0.24736%0.362CS..EExtended strand (participates in β ladder)trans-109.8144.8179.4-54.7-79.4000111.6Q560 L561 I562 I563 K587 V597Q560-Y589 HydrophobicContact CB-CE2 4.48Å; L561-Y589 PolarHBondContact O-N 2.81Å; I562-Y589 HydrophobicContact CG1-CD2 3.96Å; I562-Y589 HydrophobicContact CG1-CG 4.48Å; I563-Y589 PolarHBondContact N-O 3.23Å; K587-Y589 HydrophobicContact CB-CE2 4.04Å; Y589-V597 HydrophobicContact CD1-CG1 3.79Å; Y589-V597 HydrophobicContact CD2-CG1 3.87Å; Y589-V597 HydrophobicContact CE1-CG1 4.23Å; Y589-V597 HydrophobicContact CE2-CG1 4.27Å; Y589-V597 HydrophobicContact CG-CG1 3.59Å
590M93Very high85.3Confident56 Ų5666.7 Ų66.728%0.27635%0.35SS..  trans-131.980.4175.1-63.8175.5-53.800107.9I563 A575I563-M590 HydrophobicContact CB-CG 4.46Å; A575-M590 HydrophobicContact CB-CE 4.36Å; A575-M590 HydrophobicContact CB-CG 4.13Å; A575-M590 HydrophobicContact CB-SD 3.4Å; A575-M590 WeakPolarHBondContact CB-SD 3.44Å
591P93.7Very high84.5Confident2 Ų266.1 Ų66.11%0.01334%0.341CS..PPolyproline II helixtrans-60.7150.518020.9-30.4000112.4T9 V13 I562 E595 V597T9-P591 HydrophobicContact CG2-CB 3.87Å; T9-P591 HydrophobicContact CG2-CG 3.67Å; V13-P591 VanDerWaalsContact CG1-O 3.24Å; V13-P591 WeakPolarHBondContact CG1-O 3.38Å; V13-P591 HydrophobicContact CG2-CG 4.21Å; I562-P591 HydrophobicContact CG2-CG 3.87Å; P591-E595 HydrophobicContact CB-CB 4.31Å; P591-V597 HydrophobicContact CB-CG2 3.73Å; P591-V597 HydrophobicContact CG-CG2 4.18Å
592K92.1Very high84Confident127 Ų12765 Ų6555%0.55234%0.337SS*.PPolyproline II helixtrans-88.9171164.7-65.1176.2-177.1-177.90111T9 H594 E595T9-K592 PolarHBondContact OG1-O 3.04Å; K592-H594 PolarHBondContact O-N 2.86Å; K592-E595 HydrophobicContact CB-CB 4.25Å; K592-E595 WeakPolarHBondContact CB-OE2 3.4Å; K592-E595 PolarHBondContact N-OE2 2.85Å; K592-E595 VanDerWaalsContact O-CB 3.29Å; K592-E595 WeakPolarHBondContact O-CB 3.46Å; K592-E595 PolarHBondContact O-N 3.23Å; K592-E595 VanDerWaalsContact O-N 3.13Å
593L91Very high83.2Confident83 Ų8369.3 Ų69.344%0.43536%0.359SS..THydrogen-bonded Turntrans-57132.2173.8-164.596000109.5V13 E595V13-L593 VanDerWaalsContact CG1-N 3.31Å; L593-E595 PolarHBondContact O-N 2.88Å
594H90.1Very high82.4Confident93 Ų9373.5 Ų73.543%0.43137%0.367SS..THydrogen-bonded Turntrans62.211.2-176-51.4105.9000116.1T9 S47 K592T9-H594 WeakPolarHBondContact O-CA 3.49Å; T9-H594 PolarHBondContact O-N 3.45Å; S47-H594 PolarHBondContact OG-NE2 2.84Å; K592-H594 PolarHBondContact O-N 2.86Å
595E92.9Very high81.9Confident83 Ų8366.2 Ų66.239%0.38834%0.337SS..  trans-80.3139.3174.3-167.7176.5166.100110.3T9 P591 K592 L593T9-E595 PolarHBondContact N-O 3.36Å; T9-E595 PolarHBondContact OG1-O 2.86Å; T9-E595 VanDerWaalsContact OG1-O 3.12Å; P591-E595 HydrophobicContact CB-CB 4.31Å; K592-E595 HydrophobicContact CB-CB 4.25Å; K592-E595 WeakPolarHBondContact CB-OE2 3.4Å; K592-E595 PolarHBondContact N-OE2 2.85Å; K592-E595 VanDerWaalsContact O-CB 3.29Å; K592-E595 WeakPolarHBondContact O-CB 3.46Å; K592-E595 PolarHBondContact O-N 3.23Å; K592-E595 VanDerWaalsContact O-N 3.13Å; L593-E595 PolarHBondContact O-N 2.88Å
596T93.2Very high81.3Confident68 Ų6868.3 Ų68.342%0.41734%0.338SS..EExtended strand (participates in β ladder)trans-104.2120.6172.6-60.10000109.4K6 L7 T8K6-T596 HydrophobicContact CB-CG2 4Å; K6-T596 HydrophobicContact CD-CG2 4.25Å; K6-T596 HydrophobicContact CG-CG2 4.5Å; L7-T596 CarbonylContact O-C 3.59Å; L7-T596 WeakPolarHBondContact O-CA 3.45Å; T8-T596 WeakPolarHBondContact CG2-OG1 3.41Å; T8-T596 WeakPolarHBondContact OG1-CG2 3.21Å; T8-T596 PolarHBondContact OG1-OG1 3.08Å
597V93Very high79.9Confident9 Ų972.4 Ų72.46%0.05536%0.356CS..EExtended strand (participates in β ladder)trans-97.5121.4176.1175.30000108.9K6 L7 I562 Y589 P591 A599K6-V597 WeakPolarHBondContact CA-O 3.48Å; L7-V597 PolarHBondContact N-O 2.93Å; L7-V597 PolarHBondContact O-N 3.12Å; I562-V597 HydrophobicContact CD1-CB 4.44Å; I562-V597 HydrophobicContact CD1-CG1 4.1Å; I562-V597 HydrophobicContact CG1-CG1 4.4Å; Y589-V597 HydrophobicContact CD1-CG1 3.79Å; Y589-V597 HydrophobicContact CD2-CG1 3.87Å; Y589-V597 HydrophobicContact CE1-CG1 4.23Å; Y589-V597 HydrophobicContact CE2-CG1 4.27Å; Y589-V597 HydrophobicContact CG-CG1 3.59Å; P591-V597 HydrophobicContact CB-CG2 3.73Å; P591-V597 HydrophobicContact CG-CG2 4.18Å; V597-A599 PolarHBondContact O-N 2.83Å
598D90.3Very high79.1Confident71 Ų7170.6 Ų70.638%0.3835%0.352SS..EExtended strand (participates in β ladder)trans-83.5107.8169.8-165.6-28.2000109.6T600D598-T600 VanDerWaalsContact OD1-CB 3.27Å; D598-T600 WeakPolarHBondContact OD1-CB 3.34Å; D598-T600 WeakPolarHBondContact OD1-CG2 3.48Å; D598-T600 PolarHBondContact OD1-N 2.89Å; D598-T600 PolarHBondContact OD1-OG1 3.18Å
599A85.5Confident78.3Confident1 Ų177.3 Ų77.31%0.00838%0.376CS..  trans-10221.4-178.500000112.4I5 L197 Q560 I562 V597I5-A599 HydrophobicContact CG2-CB 4.25Å; I5-A599 PolarHBondContact O-N 2.72Å; L197-A599 HydrophobicContact CD1-CB 4.18Å; L197-A599 HydrophobicContact CD2-CB 3.96Å; Q560-A599 VanDerWaalsContact CD-O 3.3Å; Q560-A599 PolarHBondContact NE2-O 2.94Å; Q560-A599 VanDerWaalsContact OE1-C 3.23Å; Q560-A599 VanDerWaalsContact OE1-CB 3.29Å; Q560-A599 PolarHBondContact OE1-O 2.97Å; I562-A599 HydrophobicContact CD1-CB 4.28Å; V597-A599 PolarHBondContact O-N 2.83Å
600T83.8Confident77.6Confident20 Ų2078 Ų7812%0.12338%0.384CS..  trans-64139.2176.3510000112.2I4 Q560 D598 I605I4-T600 HydrophobicContact CB-CG2 4.4Å; I4-T600 HydrophobicContact CG2-CG2 4.31Å; Q560-T600 PolarHBondContact NE2-O 3.46Å; D598-T600 VanDerWaalsContact OD1-CB 3.27Å; D598-T600 WeakPolarHBondContact OD1-CB 3.34Å; D598-T600 WeakPolarHBondContact OD1-CG2 3.48Å; D598-T600 PolarHBondContact OD1-N 2.89Å; D598-T600 PolarHBondContact OD1-OG1 3.18Å; T600-I605 HydrophobicContact CG2-CD1 4.41Å
601S70.3Confident77Confident68 Ų6879.8 Ų79.848%0.47639%0.39SS..SBendtrans-77.1-33.3-177.4-73.30000112.9
602E66.6Low76Confident103 Ų10386 Ų8648%0.48142%0.423SS..SBendtrans-95.3129.1177.5-78.4-179.2-179.700111.2T2 H604 I605T2-E602 WeakPolarHBondContact CB-OE2 3.49Å; T2-E602 HydrophobicContact CG2-CB 4.33Å; T2-E602 HydrophobicContact CG2-CG 3.7Å; T2-E602 WeakPolarHBondContact CG2-OE1 3.42Å; T2-E602 WeakPolarHBondContact CG2-OE2 3.43Å; T2-E602 PolarHBondContact OG1-OE2 3.41Å; E602-H604 PolarHBondContact O-N 3.19Å; E602-I605 HydrophobicContact CB-CD1 4.16Å; E602-I605 HydrophobicContact CB-CG1 4.05Å
603T50.1Low75.2Confident113 Ų11382.6 Ų82.669%0.69342%0.415SS*.THydrogen-bonded Turntrans-74.4-1-174.9410000114.9
604H48.3Very low74.5Confident133 Ų13378.9 Ų78.962%0.61640%0.396SS*.THydrogen-bonded Turntrans-13848.9-172.4-62.9-46.5000112.4E602 Y606E602-H604 PolarHBondContact O-N 3.19Å; H604-Y606 HydrophobicContact CB-CE1 3.8Å
605I53.2Low73.9Confident56 Ų5677.6 Ų77.629%0.28739%0.394SS..  trans-96.6119.9166.6-53.3173.2000107.2T2 I4 T600 E602T2-I605 VanDerWaalsContact OG1-CD1 3.26Å; T2-I605 WeakPolarHBondContact OG1-CD1 3.25Å; I4-I605 HydrophobicContact CD1-CG2 4.18Å; I4-I605 HydrophobicContact CG1-CG2 3.91Å; T600-I605 HydrophobicContact CG2-CD1 4.41Å; E602-I605 HydrophobicContact CB-CD1 4.16Å; E602-I605 HydrophobicContact CB-CG1 4.05Å
606Y58.5Low73Confident164 Ų16478.7 Ų78.764%0.64341%0.411SS*.  trans-117.9127176.7-4.3-86.1000108.4H604 V608H604-Y606 HydrophobicContact CB-CE1 3.8Å; Y606-V608 PolarHBondContact O-N 2.9Å
607Q57.6Low72Confident105 Ų10578.6 Ų78.649%0.49141%0.414SS..  trans-79.2114.2170.1-170.8174.810.700108.3I697 P698Q607-I697 HydrophobicContact CG-CG2 4.32Å; Q607-I697 WeakPolarHBondContact O-CG2 3.31Å; Q607-P698 WeakPolarHBondContact O-CD 3.26Å
608V71.9Confident71.2Confident50 Ų5079.6 Ų79.630%0.30342%0.418SS..  trans-114.1124.2175.4-176.70000108.3Y606 L635 P698 L700Y606-V608 PolarHBondContact O-N 2.9Å; V608-L635 HydrophobicContact CB-CD2 4.5Å; V608-L635 HydrophobicContact CG1-CD2 3.62Å; V608-L635 HydrophobicContact CG2-CD2 3.99Å; V608-P698 WeakPolarHBondContact CA-O 3.38Å; V608-P698 HydrophobicContact CG2-CG 4.12Å; V608-L700 HydrophobicContact CG1-CB 3.89Å; V608-L700 HydrophobicContact CG1-CD1 3.9Å
609R75.4Confident70.3Confident156 Ų15684.3 Ų84.359%0.58944%0.438SS*.EExtended strand (participates in β ladder)trans-86.3124.3175.4-176.4-178.7-66.9175.9-0.3109.8P698 T699 L700R609-P698 PolarHBondContact N-O 3.04Å; R609-T699 HydrophobicContact CB-CG2 4.2Å; R609-T699 CarbonylContact O-C 3.55Å; R609-T699 VanDerWaalsContact O-CA 3.28Å; R609-T699 WeakPolarHBondContact O-CA 3.41Å; R609-L700 PolarHBondContact O-N 3.2Å
610L78.7Confident69.7Low77 Ų7789.7 Ų89.740%0.40346%0.462SS..EExtended strand (participates in β ladder)trans-76.3128.2171.1-57.5175.6000109L614 V615 L700L610-L614 HydrophobicContact CD2-CD2 3.87Å; L610-V615 HydrophobicContact CB-CG2 4Å; L610-L700 HydrophobicContact CD2-CB 3.97Å; L610-L700 HydrophobicContact CD2-CD2 4.22Å
611K80.6Confident69.1Low94 Ų9491.1 Ų91.141%0.40947%0.472SS..PPolyproline II helixtrans-74144.3175.8-166.2170.2179.4167.70110.1S613 L614 V615 L700 E701K611-S613 WeakPolarHBondContact CG-OG 3.22Å; K611-S613 PolarHBondContact O-N 3.17Å; K611-S613 VanDerWaalsContact O-N 3.1Å; K611-L614 WeakPolarHBondContact O-CA 3.39Å; K611-L614 WeakPolarHBondContact O-CB 3.25Å; K611-L614 PolarHBondContact O-N 2.96Å; K611-V615 PolarHBondContact O-N 3.38Å; K611-L700 PolarHBondContact N-O 2.95Å; K611-E701 HydrophobicContact CD-CG 4.27Å; K611-E701 IonicContact NZ-OE1 3.36Å; K611-E701 PolarHBondContact NZ-OE1 2.93Å
612D73.9Confident68.7Low131 Ų13196 Ų9670%0.70148%0.484SS*.Hα-helixtrans-57.9-30.7-177.2-63.4-25.9000113.4L614 V615 S616D612-L614 VanDerWaalsContact C-N 3.29Å; D612-L614 PolarHBondContact O-N 2.94Å; D612-V615 PolarHBondContact O-N 3.09Å; D612-S616 WeakPolarHBondContact O-CB 3.48Å; D612-S616 PolarHBondContact O-N 3.38Å; D612-S616 PolarHBondContact O-OG 3.27Å
613S74.8Confident68.4Low57 Ų5792.1 Ų92.140%0.39947%0.47SS..Hα-helixtrans-62.7-34.6174.256.90000112.9K611 S617K611-S613 WeakPolarHBondContact CG-OG 3.22Å; K611-S613 PolarHBondContact O-N 3.17Å; K611-S613 VanDerWaalsContact O-N 3.1Å; S613-S617 PolarHBondContact O-N 2.87Å
614L76.6Confident69Low5 Ų594.1 Ų94.13%0.02647%0.469CS..Hα-helixtrans-75.1-46.3176.8-179.371.6000110.5L610 K611 D612 S616 S617 L618 I631 L700 P702L610-L614 HydrophobicContact CD2-CD2 3.87Å; K611-L614 WeakPolarHBondContact O-CA 3.39Å; K611-L614 WeakPolarHBondContact O-CB 3.25Å; K611-L614 PolarHBondContact O-N 2.96Å; D612-L614 VanDerWaalsContact C-N 3.29Å; D612-L614 PolarHBondContact O-N 2.94Å; L614-S616 PolarHBondContact O-N 3.01Å; L614-S617 PolarHBondContact O-N 2.95Å; L614-S617 PolarHBondContact O-OG 3.23Å; L614-L618 WeakPolarHBondContact O-CG 3.28Å; L614-L618 PolarHBondContact O-N 3.4Å; L614-I631 HydrophobicContact CD1-CG2 4.25Å; L614-I631 HydrophobicContact CD2-CG2 3.81Å; L614-I631 HydrophobicContact CG-CG2 4.22Å; L614-L700 HydrophobicContact CD2-CB 4.14Å; L614-L700 HydrophobicContact CD2-CD2 3.29Å; L614-L700 HydrophobicContact CD2-CG 4.3Å; L614-P702 HydrophobicContact CD1-CB 3.88Å
615V75.8Confident69.5Low65 Ų6595.9 Ų95.939%0.39448%0.483SS..Hα-helixtrans-57.6-40.3177.5-179.80000110.7L610 K611 D612 S617 L618L610-V615 HydrophobicContact CB-CG2 4Å; K611-V615 PolarHBondContact O-N 3.38Å; D612-V615 PolarHBondContact O-N 3.09Å; V615-S617 VanDerWaalsContact C-N 3.26Å; V615-S617 PolarHBondContact O-N 3.35Å; V615-L618 PolarHBondContact O-N 3.04Å
616S75.8Confident69.8Low106 Ų10696.1 Ų96.174%0.74149%0.494SS*.THydrogen-bonded Turntrans-69.7-19.8177.1-56.40000114D612 L614D612-S616 WeakPolarHBondContact O-CB 3.48Å; D612-S616 PolarHBondContact O-N 3.38Å; D612-S616 PolarHBondContact O-OG 3.27Å; L614-S616 PolarHBondContact O-N 3.01Å
617S72.2Confident70.5Confident67 Ų6794.6 Ų94.647%0.46949%0.493SS..THydrogen-bonded Turntrans-89.1-8.1178.872.10000113.9S613 L614 V615 Q619S613-S617 PolarHBondContact O-N 2.87Å; L614-S617 PolarHBondContact O-N 2.95Å; L614-S617 PolarHBondContact O-OG 3.23Å; V615-S617 VanDerWaalsContact C-N 3.26Å; V615-S617 PolarHBondContact O-N 3.35Å; S617-Q619 PolarHBondContact O-N 3.01Å
618L74.6Confident71Confident29 Ų2992 Ų9215%0.15248%0.482CS..  trans-69126.2-177.4-62.6-177.4000111.4L614 V615 F620 A629 I631L614-L618 WeakPolarHBondContact O-CG 3.28Å; L614-L618 PolarHBondContact O-N 3.4Å; V615-L618 PolarHBondContact O-N 3.04Å; L618-F620 HydrophobicContact CB-CD2 4.45Å; L618-F620 HydrophobicContact CB-CE2 3.83Å; L618-F620 HydrophobicContact CB-CZ 3.96Å; L618-F620 HydrophobicContact CD1-CZ 4.05Å; L618-A629 HydrophobicContact CB-CB 4.06Å; L618-A629 HydrophobicContact CD1-CB 4.48Å; L618-A629 HydrophobicContact CD2-CB 4.48Å; L618-I631 HydrophobicContact CD1-CD1 3.8Å; L618-I631 HydrophobicContact CD1-CG1 4.32Å; L618-I631 HydrophobicContact CD2-CB 4.32Å; L618-I631 HydrophobicContact CD2-CD1 3.96Å; L618-I631 HydrophobicContact CD2-CG1 3.61Å; L618-I631 HydrophobicContact CD2-CG2 4.33Å
619Q71.3Confident71.1Confident170 Ų17091 Ų9179%0.79448%0.479SS*.  trans-94.8109.7170.7-66.1-172.7-0.900109.1S617S617-Q619 PolarHBondContact O-N 3.01Å
620F74.8Confident71.1Confident115 Ų11589.5 Ų89.550%0.50447%0.473SS..PPolyproline II helixtrans-84.2119.8179.3-66.1-83.4000111L618 E627 L628 A629L618-F620 HydrophobicContact CB-CD2 4.45Å; L618-F620 HydrophobicContact CB-CE2 3.83Å; L618-F620 HydrophobicContact CB-CZ 3.96Å; L618-F620 HydrophobicContact CD1-CZ 4.05Å; F620-E627 HydrophobicContact CB-CB 4.31Å; F620-E627 HydrophobicContact CD1-CB 4.05Å; F620-L628 CarbonylContact C-O 3.57Å; F620-L628 WeakPolarHBondContact CA-O 3.21Å; F620-A629 HydrophobicContact CD1-CB 3.75Å; F620-A629 HydrophobicContact CE1-CB 3.83Å; F620-A629 HydrophobicContact CG-CB 4.34Å; F620-A629 HydrophobicContact CZ-CB 4.47Å
621C69.6Low70.9Confident50 Ų5089.1 Ų89.134%0.33847%0.471SS..EExtended strand (participates in β ladder)trans-93.1125.8169.2-71.40000109.6A623 L628 V782C621-A623 PolarHBondContact O-N 3.5Å; C621-L628 PolarHBondContact N-O 2.75Å; C621-L628 PolarHBondContact O-N 2.89Å; C621-V782 HydrophobicContact CB-CG2 3.97Å
622K62.5Low70.7Confident169 Ų16987.4 Ų87.474%0.73547%0.466SS*.EExtended strand (participates in β ladder)trans-80.7116-179-166.4170.7-174.3168.40111.1
623A59.6Low70.8Confident23 Ų2382.4 Ų82.419%0.1945%0.446CS..EExtended strand (participates in β ladder)trans-116.394.4177.800000110.5C621 D625 A626 A780C621-A623 PolarHBondContact O-N 3.5Å; A623-D625 PolarHBondContact O-N 3.38Å; A623-A626 CarbonylContact C-O 3.55Å; A623-A626 PolarHBondContact N-O 3.28Å; A623-A626 PolarHBondContact O-N 2.89Å; A623-A780 HydrophobicContact CB-CB 3.88Å
624K64.1Low71.1Confident154 Ų15483.2 Ų83.267%0.6745%0.448SS*.THydrogen-bonded Turntrans52-89.1-179.9-65.8178.9177.9165.30113.7N717K624-N717 WeakPolarHBondContact CE-OD1 3.15Å; K624-N717 PolarHBondContact NZ-OD1 2.98Å
625D58.9Low71.2Confident170 Ų17087.4 Ų87.491%0.90947%0.47SS*.THydrogen-bonded Turntrans-109.11.1-176-60.6-30.1000113.4A623A623-D625 PolarHBondContact O-N 3.38Å
626A59.4Low71.4Confident62 Ų6286.4 Ų86.451%0.51246%0.462SS..EExtended strand (participates in β ladder)trans-133.3156.9-179.700000112.4A623A623-A626 CarbonylContact C-O 3.55Å; A623-A626 PolarHBondContact N-O 3.28Å; A623-A626 PolarHBondContact O-N 2.89Å
627E73.2Confident71Confident132 Ų13287 Ų8762%0.61746%0.455SS*.EExtended strand (participates in β ladder)trans-103.5136.4170-65.4-172.7170.300109.1F620F620-E627 HydrophobicContact CB-CB 4.31Å; F620-E627 HydrophobicContact CD1-CB 4.05Å
628L68.4Low70.4Confident51 Ų5194.4 Ų94.427%0.26747%0.473SS..EExtended strand (participates in β ladder)trans-126.1130-174.6-156.9139.8000110.1F620 C621 M716 V782F620-L628 CarbonylContact C-O 3.57Å; F620-L628 WeakPolarHBondContact CA-O 3.21Å; C621-L628 PolarHBondContact N-O 2.75Å; C621-L628 PolarHBondContact O-N 2.89Å; L628-M716 HydrophobicContact CD1-CE 3.8Å; L628-M716 HydrophobicContact CD1-SD 3.63Å; L628-M716 HydrophobicContact CD2-CE 4.37Å; L628-V782 HydrophobicContact CD2-CB 3.94Å; L628-V782 HydrophobicContact CD2-CG1 3.94Å; L628-V782 HydrophobicContact CD2-CG2 3.43Å; L628-V782 VanDerWaalsContact CD2-CG2 3.43Å
629A73.3Confident69.1Low28 Ų2895.7 Ų95.723%0.23148%0.481CS..  trans-131.3140.717500000109.5L618 F620L618-A629 HydrophobicContact CB-CB 4.06Å; L618-A629 HydrophobicContact CD1-CB 4.48Å; L618-A629 HydrophobicContact CD2-CB 4.48Å; F620-A629 HydrophobicContact CD1-CB 3.75Å; F620-A629 HydrophobicContact CE1-CB 3.83Å; F620-A629 HydrophobicContact CG-CB 4.34Å; F620-A629 HydrophobicContact CZ-CB 4.47Å
630W74.2Confident67.8Low124 Ų12492.3 Ų92.347%0.4748%0.476SS..  trans-88.2136.8171-175.4-91.7000109.6D632 H711 V782W630-D632 PolarHBondContact NE1-OD1 2.86Å; W630-D632 PolarHBondContact NE1-OD2 3.18Å; W630-H711 AromaticContact CD1-CD2 3.57Å; W630-H711 AromaticContact CD2-CD2 3.96Å; W630-H711 AromaticContact CE2-CD2 3.95Å; W630-H711 AromaticContact CG-CD2 3.74Å; W630-H711 HydrophobicContact CH2-CB 4.49Å; W630-H711 HydrophobicContact CZ2-CB 3.93Å; W630-H711 AromaticContact NE1-CD2 3.68Å; W630-V782 HydrophobicContact CB-CG1 3.78Å
631I76.3Confident66.1Low70 Ų7096.9 Ų96.936%0.35950%0.496SS..  trans-127.5117.1-177.2-45.1-167.5000108.9L614 L618 L700L614-I631 HydrophobicContact CD1-CG2 4.25Å; L614-I631 HydrophobicContact CD2-CG2 3.81Å; L614-I631 HydrophobicContact CG-CG2 4.22Å; L618-I631 HydrophobicContact CD1-CD1 3.8Å; L618-I631 HydrophobicContact CD1-CG1 4.32Å; L618-I631 HydrophobicContact CD2-CB 4.32Å; L618-I631 HydrophobicContact CD2-CD1 3.96Å; L618-I631 HydrophobicContact CD2-CG1 3.61Å; L618-I631 HydrophobicContact CD2-CG2 4.33Å; I631-L700 HydrophobicContact CG2-CD2 4.07Å
632D74.6Confident64.4Low57 Ų57100.4 Ų100.431%0.30552%0.516SS..  trans-118.2140.9164.9-63.5-41.3000109W630 L703W630-D632 PolarHBondContact NE1-OD1 2.86Å; W630-D632 PolarHBondContact NE1-OD2 3.18Å; D632-L703 HydrophobicContact CB-CD1 3.65Å
633G77.4Confident62.9Low27 Ų2799.7 Ų99.728%0.27852%0.52SS..EExtended strand (participates in β ladder)trans-165.7165.7176.900000113.5E701G633-E701 CarbonylContact C-O 3.3Å; G633-E701 WeakPolarHBondContact CA-O 3.43Å
634V81Confident61.6Low74 Ų74104.4 Ų104.445%0.44855%0.547SS..EExtended strand (participates in β ladder)trans-94.2133176.7-179.40000108.7D636 E701 L703V634-D636 PolarHBondContact O-N 2.97Å; V634-E701 PolarHBondContact N-O 2.81Å; V634-E701 PolarHBondContact O-N 3.21Å; V634-L703 HydrophobicContact CG2-CD2 3.41Å; V634-L703 VanDerWaalsContact CG2-CD2 3.41Å; V634-L703 HydrophobicContact CG2-CG 3.96Å
635L78.7Confident60Low93 Ų93101 Ų10149%0.48756%0.555SS.*EExtended strand (participates in β ladder)trans-77.2115.6171.9-73.3168000109.1V608 P698 L700V608-L635 HydrophobicContact CB-CD2 4.5Å; V608-L635 HydrophobicContact CG1-CD2 3.62Å; V608-L635 HydrophobicContact CG2-CD2 3.99Å; L635-P698 HydrophobicContact CD2-CB 4.26Å; L635-L700 HydrophobicContact CD2-CD1 3.87Å; L635-L700 HydrophobicContact CG-CD1 4.41Å
636D78.8Confident58.6Low44 Ų4498 Ų9824%0.23554%0.543CS..EExtended strand (participates in β ladder)trans-93.3122.2165.8-170.14.5000109.8V634 R638 P698 T699 E701V634-D636 PolarHBondContact O-N 2.97Å; D636-R638 WeakPolarHBondContact OD1-CB 3.21Å; D636-R638 PolarHBondContact OD1-N 2.81Å; D636-P698 WeakPolarHBondContact O-CA 3Å; D636-T699 PolarHBondContact N-O 3.31Å; D636-T699 PolarHBondContact O-N 3.06Å; D636-E701 HydrophobicContact CB-CG 4.41Å
637M68.4Low57.2Low117 Ų117102.9 Ų102.958%0.57656%0.558SS**  trans-98.712.8-179.1-63.7-75.1-66.800112.1I696 P698M637-I696 WeakPolarHBondContact O-CG2 3.42Å; M637-P698 HydrophobicContact SD-CB 3.73Å; M637-P698 HydrophobicContact SD-CG 4.34Å
638R58.9Low55.1Low224 Ų224104 Ų10485%0.84557%0.568SS**  trans-114.811.3-167.4-64.1-175177.3179.31.4116.8D636D636-R638 WeakPolarHBondContact OD1-CB 3.21Å; D636-R638 PolarHBondContact OD1-N 2.81Å
639V48.5Very low53.4Low56 Ų56110.6 Ų110.634%0.33960%0.597SS.*  trans-101.3104.5-172.6-1710000112.6V642V639-V642 HydrophobicContact CG1-CG2 4.01Å
640S42.4Very low51.3Low98 Ų98118.9 Ų118.969%0.68563%0.631SS**  trans-77.9138.3155.9-51.40000109.5
641K39.5Very low49.1Very low212 Ų212116.5 Ų116.592%0.92265%0.645SS**  trans12.3116.1170-71.4-179.6177.3176.20117
642V35.1Very low46.8Very low124 Ų124121.6 Ų121.675%0.75267%0.667SS**  trans-121.3129.9153.4-146.90000108.3V639V639-V642 HydrophobicContact CG1-CG2 4.01Å
643D31Very low44.5Very low153 Ų153125.3 Ų125.382%0.81869%0.686SS**  trans-52.6142.4-173.3-78.8-47.3000113.2G645D643-G645 PolarHBondContact O-N 3.06Å; D643-G645 VanDerWaalsContact O-N 3.15Å
644T30.9Very low42.1Very low123 Ų123134.5 Ų134.576%0.75571%0.713SS**  trans-51.6114.3163.142.50000109.8V646T644-V646 PolarHBondContact O-N 2.79Å
645G31.3Very low39.6Very low81 Ų81139.5 Ų139.584%0.83573%0.731SS**  trans-65.484164.700000110.3D643D643-G645 PolarHBondContact O-N 3.06Å; D643-G645 VanDerWaalsContact O-N 3.15Å
646V29.1Very low37.1Very low109 Ų109141.8 Ų141.866%0.66174%0.744SS**  trans-93.1111.3157.7-178.50000105.9T644 L648T644-V646 PolarHBondContact O-N 2.79Å; V646-L648 HydrophobicContact CG1-CG 4.45Å; V646-L648 PolarHBondContact O-N 2.91Å; V646-L648 VanDerWaalsContact O-N 3.16Å
647I29.6Very low34.7Very low163 Ų163147.6 Ų147.684%0.83677%0.77SS**  trans-65.4109.5169.7-61167.1000106.4
648L30Very low32.7Very low156 Ų156148.2 Ų148.282%0.81778%0.775SS**PPolyproline II helixtrans-103.2126162.3-78.3166.3000107.3V646V646-L648 HydrophobicContact CG1-CG 4.45Å; V646-L648 PolarHBondContact O-N 2.91Å; V646-L648 VanDerWaalsContact O-N 3.16Å
649E31.4Very low31.2Very low190 Ų190144.8 Ų144.889%0.88877%0.773SS**PPolyproline II helixtrans-55.9137.9178-72.9175.8141.200111.8
650E30.4Very low30.2Very low201 Ų201150 Ų15094%0.93979%0.794SS**PPolyproline II helixtrans-66.8133.4177.7-74.4179.1150.100112.1
651G27.3Very low29.5Very low74 Ų74151.5 Ų151.576%0.76379%0.791SS**  trans-130.394.9163.800000110.5
652E28.1Very low28.9Very low178 Ų178149 Ų14983%0.83278%0.783SS**  trans30.7137.9145.6-93.7-172.3-171.600124.2
653L26.6Very low28.5Very low134 Ų134149.3 Ų149.370%0.70279%0.785SS**  trans87.9133.5157.3-58.2164.6000116.5
654R26.9Very low28.3Very low221 Ų221149.1 Ų149.183%0.83478%0.784SS**  cis-163.1153.717.4-114.9161-164.6175.75.8110.4
655E28.2Very low28.1Very low178 Ų178150.5 Ų150.583%0.83278%0.783SS**  trans-68.8155.7168.7-65.2168.2147.800112.7
656D26.4Very low28.2Very low141 Ų141152.4 Ų152.475%0.75478%0.781SS**  trans179107.2133.6-83-22.5000107.1
657E28.2Very low28.3Very low167 Ų167151.7 Ų151.778%0.7878%0.781SS**  60136.2100.5-68.8-170177.800113.3
658D27.2Very low28.2Very low130 Ų130149 Ų14970%0.69578%0.777SS**  cis-176.8164.7-1.5-109.6-26.3000106.7
659L27.2Very low28.1Very low151 Ų151148.5 Ų148.579%0.79178%0.775SS**  trans135.392.2143.1-71.3159.8000114.2
660E28.2Very low28.4Very low166 Ų166144.7 Ų144.778%0.77677%0.769SS**  33.4146.1116.5-71.5-169.7168.400119.4
661M26.4Very low28.7Very low129 Ų129140.4 Ų140.464%0.63576%0.761SS**  cis172.3139.9-10.9-122.1176.154.900105.5
662Q26.9Very low29Very low160 Ų160142.8 Ų142.875%0.74876%0.761SS**  trans66.2145.2150.4-60.3-177-10.900119
663V26.5Very low29.3Very low131 Ų131142.3 Ų142.379%0.79476%0.762SS**  cis-158.6153.848.8177.60000111.4
664D26.6Very low29.7Very low148 Ų148140.3 Ų140.379%0.79177%0.765SS**  trans-34.4136.5174.7-75.4-49000121.8
665M27.7Very low30.2Very low152 Ų152138.5 Ų138.575%0.74977%0.766SS**  16.2144.8128.8-74.2-65.1-78.400120.7
666P34.4Very low30.5Very low122 Ų122139.2 Ų139.279%0.79277%0.77SS**  -149.1172.562.937.7-15.4000118.7
667S30.4Very low30.9Very low94 Ų94142 Ų14266%0.65778%0.775SS**  trans-54.9138.517954.10000117.2
668S27.1Very low31.2Very low106 Ų106138 Ų13874%0.74177%0.771SS**  166.3146.7116.157.80000112.6
669D27.7Very low31.5Very low146 Ų146141 Ų14178%0.78178%0.783SS**  trans92.5102.5159-64-11.7000121.2
670S37.4Very low31.7Very low109 Ų109144.2 Ų144.276%0.76279%0.79SS**  trans-35.1125147.650.30000114.4
671S37.7Very low32.1Very low111 Ų111141.3 Ų141.378%0.77679%0.788SS**  trans166.132.3141.651.10000115.5
672V33.9Very low32.5Very low125 Ų125142.7 Ų142.776%0.75880%0.798SS**SBendtrans-128.6-2.2-177.4-1570000115.9
673I34.2Very low32.7Very low167 Ų167145.2 Ų145.286%0.85681%0.806SS**THydrogen-bonded Turntrans-91.81.8179.5-57.9173.6000112.8
674A34Very low32.9Very low93 Ų93142.5 Ų142.577%0.76981%0.805SS**THydrogen-bonded Turntrans-90.2-1.9-177.700000115.1
675Q38.2Very low32.9Very low183 Ų183143.6 Ų143.686%0.85581%0.811SS**SBendtrans-119.27.2-175.2-80.1-177.9-19.200115.9
676Q34.8Very low33.2Very low193 Ų193143.4 Ų143.490%0.90281%0.813SS**SBendtrans-111.214.7172-85.5-179.4-22.100114.2
677K33.6Very low33.1Very low200 Ų200144.9 Ų144.987%0.8781%0.814SS**SBendtrans-105.616.8177.6-133.9176.7-175.1-1800114.4
678A34.4Very low33.2Very low83 Ų83150.1 Ų150.169%0.68683%0.825SS**SBendtrans-130.121.7-171.900000115.9
679M33.8Very low33.3Very low193 Ų193154.3 Ų154.395%0.95183%0.833SS**SBendtrans-14128.1175.4-89-163160.400115.4
680K31.5Very low33.5Very low217 Ų217156 Ų15694%0.94384%0.838SS**  trans-133.339.5173.4-129.6-178-174.3-174.10113.3
681S36.2Very low33.2Very low106 Ų106157 Ų15774%0.74184%0.843SS**  trans-125.170.1169.166.60000109.6
682L36.3Very low32.9Very low158 Ų158160.6 Ų160.683%0.82785%0.848SS**SBendtrans-153.315.4178.3-102.3176000116
683F30.4Very low32.8Very low212 Ų212164.2 Ų164.293%0.9386%0.857SS**  trans-143.4117.9162.1-73.2-77.3000108.1
684G29.7Very low33Very low74 Ų74160.5 Ų160.576%0.76385%0.846SS**  trans-82152.4175.200000111.2
685D27.6Very low33.5Very low171 Ų171162.9 Ų162.991%0.91484%0.841SS**  trans-145.9128.6136.4-104.4-22000107.3
686D33.7Very low34.6Very low149 Ų149158.9 Ų158.980%0.79782%0.824SS**  trans-67.9166.9168.7-79.7-55.7000110.4
687D33.4Very low36.2Very low152 Ų152152.5 Ų152.581%0.81380%0.796SS**  trans81.390.8167.6-56.2-31.8000118.7
688K32.1Very low38.3Very low204 Ų204143.8 Ų143.889%0.88776%0.76SS**  161.394128-92.5174.7176.5179.30111.3
689E28Very low40.5Very low195 Ų195140.9 Ų140.991%0.91173%0.733SS**  trans-155.383.9148.8-76.5-161.216500109.7
690M33Very low42.7Very low181 Ų181133 Ų13389%0.89270%0.695SS**  trans-152.589.6152-78.1-154.477.400107.6
691C31.1Very low45Very low129 Ų129125.7 Ų125.787%0.87266%0.664SS**  trans174.8117.9151.9-106.70000109.6
692E31.8Very low46.8Very low188 Ų188123.2 Ų123.288%0.87965%0.645SS**  trans153.667.5145.5-84-176.8-16400109.1S694E692-S694 VanDerWaalsContact C-N 3.27Å; E692-S694 PolarHBondContact O-N 3.22Å; E692-S694 VanDerWaalsContact O-N 3.13Å
693E30.4Very low48.5Very low201 Ų201117.8 Ų117.894%0.93962%0.617SS**  trans-78.185.4158.6-75.3-171.7171.100107.7E695E693-E695 PolarHBondContact O-N 2.63Å
694S38.2Very low50.3Low89 Ų89110 Ų11062%0.62259%0.588SS**  trans-65.1119.7168.150.20000109.5E692 I696E692-S694 VanDerWaalsContact C-N 3.27Å; E692-S694 PolarHBondContact O-N 3.22Å; E692-S694 VanDerWaalsContact O-N 3.13Å; S694-I696 PolarHBondContact O-N 3.25Å
695E45.9Very low51.8Low143 Ų143112.6 Ų112.667%0.66859%0.591SS**  trans-51110.7174.1-73.8-175.2156.300110.4K6 E693 I697K6-E695 IonicContact NZ-OE1 3.28Å; K6-E695 PolarHBondContact NZ-OE1 2.81Å; K6-E695 IonicContact NZ-OE2 3.42Å; K6-E695 PolarHBondContact NZ-OE2 3.12Å; K6-E695 VanDerWaalsContact NZ-OE2 3.07Å; E693-E695 PolarHBondContact O-N 2.63Å; E695-I697 PolarHBondContact O-N 3.19Å
696I60.7Low53.3Low99 Ų99111.6 Ų111.651%0.50858%0.581SS.*  trans-79.2109.3176.4-57.9170.7000108M637 S694 P698M637-I696 WeakPolarHBondContact O-CG2 3.42Å; S694-I696 PolarHBondContact O-N 3.25Å; I696-P698 WeakPolarHBondContact O-CD 3.08Å
697I68.2Low54.7Low59 Ų59109.6 Ų109.630%0.30357%0.567SS.*  trans-83.3116.6173.5-57.4174.8000108.3Q607 E695Q607-I697 HydrophobicContact CG-CG2 4.32Å; Q607-I697 WeakPolarHBondContact O-CG2 3.31Å; E695-I697 PolarHBondContact O-N 3.19Å
698P77.3Confident55.9Low17 Ų17106.3 Ų106.311%0.1155%0.552CS.*  trans-66.1144.6179.225.6-34.2000112.4Q607 V608 R609 L635 D636 M637 I696Q607-P698 WeakPolarHBondContact O-CD 3.26Å; V608-P698 WeakPolarHBondContact CA-O 3.38Å; V608-P698 HydrophobicContact CG2-CG 4.12Å; R609-P698 PolarHBondContact N-O 3.04Å; L635-P698 HydrophobicContact CD2-CB 4.26Å; D636-P698 WeakPolarHBondContact O-CA 3Å; M637-P698 HydrophobicContact SD-CB 3.73Å; M637-P698 HydrophobicContact SD-CG 4.34Å; I696-P698 WeakPolarHBondContact O-CD 3.08Å
699T80.4Confident57.1Low21 Ų21103.7 Ų103.713%0.12955%0.547CS..EExtended strand (participates in β ladder)trans-108.6141174510000110.9R609 D636R609-T699 HydrophobicContact CB-CG2 4.2Å; R609-T699 CarbonylContact O-C 3.55Å; R609-T699 VanDerWaalsContact O-CA 3.28Å; R609-T699 WeakPolarHBondContact O-CA 3.41Å; D636-T699 PolarHBondContact N-O 3.31Å; D636-T699 PolarHBondContact O-N 3.06Å
700L81.9Confident58.5Low29 Ų2998 Ų9815%0.15254%0.541CS..EExtended strand (participates in β ladder)trans-94.6117.7175.6-147.8120.8000110V608 R609 L610 K611 L614 I631 L635V608-L700 HydrophobicContact CG1-CB 3.89Å; V608-L700 HydrophobicContact CG1-CD1 3.9Å; R609-L700 PolarHBondContact O-N 3.2Å; L610-L700 HydrophobicContact CD2-CB 3.97Å; L610-L700 HydrophobicContact CD2-CD2 4.22Å; K611-L700 PolarHBondContact N-O 2.95Å; L614-L700 HydrophobicContact CD2-CB 4.14Å; L614-L700 HydrophobicContact CD2-CD2 3.29Å; L614-L700 HydrophobicContact CD2-CG 4.3Å; I631-L700 HydrophobicContact CG2-CD2 4.07Å; L635-L700 HydrophobicContact CD2-CD1 3.87Å; L635-L700 HydrophobicContact CG-CD1 4.41Å
701E79.3Confident59.9Low62 Ų6292.7 Ų92.729%0.2951%0.514SS..EExtended strand (participates in β ladder)trans-100.6146.7178.2-61.8-154.9133.100111.7K611 G633 V634 D636 L703K611-E701 HydrophobicContact CD-CG 4.27Å; K611-E701 IonicContact NZ-OE1 3.36Å; K611-E701 PolarHBondContact NZ-OE1 2.93Å; G633-E701 CarbonylContact C-O 3.3Å; G633-E701 WeakPolarHBondContact CA-O 3.43Å; V634-E701 PolarHBondContact N-O 2.81Å; V634-E701 PolarHBondContact O-N 3.21Å; D636-E701 HydrophobicContact CB-CG 4.41Å; E701-L703 PolarHBondContact O-N 2.96Å
702P73.6Confident61Low54 Ų5495 Ų9535%0.35151%0.512SS..EExtended strand (participates in β ladder)trans-64135176.427.1-32.6000110.9L614L614-P702 HydrophobicContact CD1-CB 3.88Å
703L71.9Confident62.5Low44 Ų4488.9 Ų88.923%0.2349%0.49CS..PPolyproline II helixtrans-64141.2172.2-83.5155000110.4D632 V634 E701 E707 V708D632-L703 HydrophobicContact CB-CD1 3.65Å; V634-L703 HydrophobicContact CG2-CD2 3.41Å; V634-L703 VanDerWaalsContact CG2-CD2 3.41Å; V634-L703 HydrophobicContact CG2-CG 3.96Å; E701-L703 PolarHBondContact O-N 2.96Å; L703-E707 HydrophobicContact CD2-CB 4.06Å; L703-V708 HydrophobicContact CB-CG2 4.29Å
704P67.8Low64Low48 Ų4882.3 Ų82.331%0.31246%0.463SS..PPolyproline II helixtrans-57.6143.9168.8-21.932.9000110.8H706 E707P704-H706 WeakPolarHBondContact CB-CE1 3.43Å; P704-H706 WeakPolarHBondContact CB-ND1 3.16Å; P704-H706 PolarHBondContact O-N 2.8Å; P704-E707 PolarHBondContact O-N 3.43Å
705P60.8Low65.3Low129 Ų12982.6 Ų82.684%0.83845%0.453SS*.THydrogen-bonded Turntrans-61.4-7.7-173.620.4-31.2000115.4
706H60.8Low65.9Low150 Ų15079.7 Ų79.769%0.69444%0.44SS*.THydrogen-bonded Turntrans-93.9-11.2176.556.1-86000114P704P704-H706 WeakPolarHBondContact CB-CE1 3.43Å; P704-H706 WeakPolarHBondContact CB-ND1 3.16Å; P704-H706 PolarHBondContact O-N 2.8Å
707E61.4Low66Low108 Ų10877.7 Ų77.751%0.50543%0.431SS..THydrogen-bonded Turntrans-110.8-0.2179.5-70.7-176.9163.500113.2L703 P704 L709L703-E707 HydrophobicContact CD2-CB 4.06Å; P704-E707 PolarHBondContact O-N 3.43Å; E707-L709 PolarHBondContact O-N 2.82Å
708V60Low65.9Low82 Ų8282 Ų8250%0.49745%0.45SS..  trans-67.498.3172.7-174.50000108.3L703 G710L703-V708 HydrophobicContact CB-CG2 4.29Å; V708-G710 PolarHBondContact O-N 3.45Å
709L57.2Low65.5Low150 Ų15082.1 Ų82.179%0.78545%0.45SS*.PPolyproline II helixtrans-64.2116.5167.9-72165.7000106.9E707 H711E707-L709 PolarHBondContact O-N 2.82Å; L709-H711 PolarHBondContact O-N 3.06Å
710G57.5Low65.2Low76 Ų7689.3 Ų89.378%0.78448%0.475SS*.PPolyproline II helixtrans-53.7119.8172.900000109.5V708V708-G710 PolarHBondContact O-N 3.45Å
711H61.4Low64.9Low69 Ų6989 Ų8932%0.31947%0.474SS..PPolyproline II helixtrans-70.4156.2176.759.962.4000109.6W630 L709 S713 V782W630-H711 AromaticContact CD1-CD2 3.57Å; W630-H711 AromaticContact CD2-CD2 3.96Å; W630-H711 AromaticContact CE2-CD2 3.95Å; W630-H711 AromaticContact CG-CD2 3.74Å; W630-H711 HydrophobicContact CH2-CB 4.49Å; W630-H711 HydrophobicContact CZ2-CB 3.93Å; W630-H711 AromaticContact NE1-CD2 3.68Å; L709-H711 PolarHBondContact O-N 3.06Å; H711-S713 PolarHBondContact O-N 2.77Å; H711-V782 PolarHBondContact CE1-O 2.8Å; H711-V782 PolarHBondContact CE1-OXT 3.06Å; H711-V782 PolarHBondContact NE2-OXT 3.25Å
712Q55Low64.8Low178 Ų17888.8 Ų88.883%0.83248%0.479SS*.PPolyproline II helixtrans-66.3125.7171.5-169.5172.110.800108.2V714Q712-V714 WeakPolarHBondContact O-CG2 3.49Å; Q712-V714 PolarHBondContact O-N 3.26Å; Q712-V714 VanDerWaalsContact O-N 3.09Å
713S62.3Low65Low59 Ų5989.9 Ų89.941%0.41348%0.482SS..PPolyproline II helixtrans-55.4116.5-179.256.70000110.6H711H711-S713 PolarHBondContact O-N 2.77Å
714V62.5Low65.4Low62 Ų6287.9 Ų87.938%0.37647%0.471SS..  trans-94.6113.5179.2-177.20000108.2Q712 M716 V782Q712-V714 WeakPolarHBondContact O-CG2 3.49Å; Q712-V714 PolarHBondContact O-N 3.26Å; Q712-V714 VanDerWaalsContact O-N 3.09Å; V714-M716 HydrophobicContact CG1-CE 4.08Å; V714-M716 HydrophobicContact CG1-CG 4.12Å; V714-M716 PolarHBondContact O-N 2.93Å; V714-V782 PolarHBondContact N-O 2.89Å; V714-V782 PolarHBondContact O-N 3.05Å
715F65Low66Low95 Ų9588.4 Ų88.442%0.41747%0.468SS..EExtended strand (participates in β ladder)trans-84.3103.7175.1-64.1-88.4000109.1Y776 Y779 I781F715-Y776 AromaticContact CE1-CD1 3.96Å; F715-Y776 HydrophobicContact CE1-CD1 3.96Å; F715-Y776 AromaticContact CE1-CE1 3.77Å; F715-Y776 HydrophobicContact CE1-CE1 3.77Å; F715-Y776 HydrophobicContact CZ-CE1 4.18Å; F715-Y779 HydrophobicContact CB-CD1 3.82Å; F715-Y779 HydrophobicContact CB-CE1 4.21Å; F715-Y779 HydrophobicContact CB-CG 4.42Å; F715-Y779 HydrophobicContact CD1-CD1 4.17Å; F715-Y779 HydrophobicContact CD1-CD2 4.37Å; F715-Y779 AromaticContact CD1-CG 3.93Å; F715-Y779 HydrophobicContact CD1-CG 3.93Å; F715-Y779 HydrophobicContact CG-CD1 4.46Å; F715-I781 HydrophobicContact CD1-CD1 4.19Å; F715-I781 HydrophobicContact CD1-CG1 3.81Å; F715-I781 HydrophobicContact CE1-CD1 3.71Å; F715-I781 HydrophobicContact CE1-CG1 3.8Å; F715-I781 HydrophobicContact CE1-CG2 4.4Å
716M58.4Low66.8Low82 Ų8288.1 Ų88.140%0.40446%0.456SS..EExtended strand (participates in β ladder)trans-95.1147170.5-69.1-166.3-155.300110.8L628 V714 A780L628-M716 HydrophobicContact CD1-CE 3.8Å; L628-M716 HydrophobicContact CD1-SD 3.63Å; L628-M716 HydrophobicContact CD2-CE 4.37Å; V714-M716 HydrophobicContact CG1-CE 4.08Å; V714-M716 HydrophobicContact CG1-CG 4.12Å; V714-M716 PolarHBondContact O-N 2.93Å; M716-A780 HydrophobicContact CB-CB 4.29Å; M716-A780 PolarHBondContact N-O 2.8Å; M716-A780 PolarHBondContact O-N 2.69Å
717N62.8Low67.7Low58 Ų5882.5 Ų82.531%0.3143%0.432SS..  trans87.4137.2-159.8-73.5-45.3000114.9K624 P719 Y779K624-N717 WeakPolarHBondContact CE-OD1 3.15Å; K624-N717 PolarHBondContact NZ-OD1 2.98Å; N717-P719 WeakPolarHBondContact O-CD 3.28Å; N717-Y779 WeakPolarHBondContact O-CD1 3.28Å; N717-Y779 WeakPolarHBondContact O-CE1 3.34Å
718E66.4Low68.7Low149 Ų14977.3 Ų77.370%0.69641%0.408SS*.  trans-100.289.2159.9-67.5-165.8-178.700108.9R720 R752E718-R720 PolarHBondContact O-N 2.89Å; E718-R752 IonicContact OE1-NH2 3.91Å; E718-R752 IonicContact OE2-CZ 3.84Å; E718-R752 IonicContact OE2-NH2 2.8Å; E718-R752 PolarHBondContact OE2-NH2 2.98Å
719P68Low69.6Low19 Ų1978 Ų7812%0.12341%0.408CS..  trans-63.9125.8177.824.5-30.9000109.5N717 I758 Q778 Y779N717-P719 WeakPolarHBondContact O-CD 3.28Å; P719-I758 HydrophobicContact CG-CD1 3.91Å; P719-Q778 HydrophobicContact CB-CB 4.17Å; P719-Y779 WeakPolarHBondContact CD-OH 3.49Å; P719-Y779 HydrophobicContact CG-CD1 4.28Å; P719-Y779 HydrophobicContact CG-CD2 4.28Å; P719-Y779 HydrophobicContact CG-CE1 3.63Å; P719-Y779 HydrophobicContact CG-CE2 3.6Å; P719-Y779 WeakPolarHBondContact CG-OH 3.08Å
720R74.4Confident70.8Confident172 Ų17280.7 Ų80.765%0.64941%0.408SS*.  trans-75.8133.7174-62-178178.9-161.91.2108.4E718 S722 D723 F724E718-R720 PolarHBondContact O-N 2.89Å; R720-S722 WeakPolarHBondContact CB-OG 3.48Å; R720-S722 PolarHBondContact O-N 3.4Å; R720-S722 VanDerWaalsContact O-N 3.08Å; R720-D723 PolarHBondContact O-N 3.24Å; R720-F724 PolarHBondContact O-N 3.09Å
721L75.7Confident71.8Confident24 Ų2481 Ų8113%0.12639%0.389CS..Hα-helixtrans-58.3-24.6176.6-66174.3000112.4K725 F737 V750 R752 I758L721-K725 WeakPolarHBondContact O-CB 3.48Å; L721-K725 PolarHBondContact O-N 3.07Å; L721-F737 HydrophobicContact CB-CE1 3.89Å; L721-F737 HydrophobicContact CB-CZ 3.65Å; L721-F737 HydrophobicContact CD1-CE1 4.38Å; L721-V750 HydrophobicContact CD2-CG1 3.78Å; L721-R752 HydrophobicContact CD1-CB 4.25Å; L721-I758 HydrophobicContact CD2-CD1 4.37Å
722S77.2Confident72.6Confident56 Ų5680.8 Ų80.839%0.39241%0.406SS..Hα-helixtrans-63.9-40.1172.853.40000113.1R720R720-S722 WeakPolarHBondContact CB-OG 3.48Å; R720-S722 PolarHBondContact O-N 3.4Å; R720-S722 VanDerWaalsContact O-N 3.08Å
723D79.2Confident73.9Confident77 Ų7772.6 Ų72.641%0.41237%0.368SS..Hα-helixtrans-81.7-40-174.5-54-9.5000108.4R720 K725 Q726 V727R720-D723 PolarHBondContact O-N 3.24Å; D723-K725 VanDerWaalsContact C-N 3.28Å; D723-K725 PolarHBondContact O-N 3.37Å; D723-Q726 WeakPolarHBondContact O-CB 3.37Å; D723-Q726 PolarHBondContact O-N 3.31Å; D723-V727 PolarHBondContact O-N 2.98Å; D723-V727 VanDerWaalsContact O-N 3.16Å
724F79.5Confident74.6Confident2 Ų276.7 Ų76.71%0.00938%0.38CS..Hα-helixtrans-60-37.1172.1-170.6-123.3000112.5R720 Q726 V727 L728 L742 V750 I771 L774 L775 Q778R720-F724 PolarHBondContact O-N 3.09Å; F724-Q726 VanDerWaalsContact C-N 3.27Å; F724-Q726 PolarHBondContact O-N 3.01Å; F724-V727 WeakPolarHBondContact O-CB 3.19Å; F724-V727 PolarHBondContact O-N 3.22Å; F724-L728 HydrophobicContact CD1-CD1 3.75Å; F724-L728 HydrophobicContact CD1-CG 4.29Å; F724-L728 HydrophobicContact CE1-CD1 3.54Å; F724-L728 HydrophobicContact CE1-CD2 4.22Å; F724-L728 HydrophobicContact CE1-CG 4Å; F724-L728 HydrophobicContact CE2-CD2 4.38Å; F724-L728 HydrophobicContact CE2-CG 4.31Å; F724-L728 HydrophobicContact CG-CD1 4.42Å; F724-L728 HydrophobicContact CZ-CD1 4.06Å; F724-L728 HydrophobicContact CZ-CD2 3.89Å; F724-L728 HydrophobicContact CZ-CG 4.01Å; F724-L728 WeakPolarHBondContact O-CG 3.45Å; F724-L728 PolarHBondContact O-N 3.18Å; F724-L742 HydrophobicContact CD1-CD2 3.91Å; F724-V750 HydrophobicContact CE1-CG2 4.38Å; F724-I771 HydrophobicContact CE1-CG2 4.21Å; F724-I771 HydrophobicContact CZ-CG2 4.11Å; F724-L774 HydrophobicContact CE2-CB 4.21Å; F724-L775 HydrophobicContact CD1-CD1 4.03Å; F724-L775 HydrophobicContact CD2-CD1 4.13Å; F724-L775 HydrophobicContact CE1-CB 4.38Å; F724-L775 HydrophobicContact CE1-CD1 3.83Å; F724-L775 HydrophobicContact CE2-CB 3.97Å; F724-L775 HydrophobicContact CE2-CD1 3.96Å; F724-L775 HydrophobicContact CG-CD1 4.18Å; F724-L775 HydrophobicContact CZ-CB 3.66Å; F724-L775 HydrophobicContact CZ-CD1 3.8Å; F724-L775 HydrophobicContact CZ-CG 4.31Å; F724-Q778 HydrophobicContact CD2-CG 3.95Å; F724-Q778 HydrophobicContact CE2-CG 4.38Å
725K79.3Confident75.5Confident59 Ų5974 Ų7426%0.25736%0.364SS..Hα-helixtrans-57.7-38.2171.6177175.6172166.30112.4L721 D723 L729 A735 F737 L742L721-K725 WeakPolarHBondContact O-CB 3.48Å; L721-K725 PolarHBondContact O-N 3.07Å; D723-K725 VanDerWaalsContact C-N 3.28Å; D723-K725 PolarHBondContact O-N 3.37Å; K725-L729 HydrophobicContact CG-CD1 4.06Å; K725-L729 WeakPolarHBondContact O-CB 3.47Å; K725-L729 WeakPolarHBondContact O-CG 3.28Å; K725-L729 PolarHBondContact O-N 3.01Å; K725-A735 WeakPolarHBondContact CE-O 3.49Å; K725-A735 HydrophobicContact CG-CB 4.15Å; K725-A735 PolarHBondContact NZ-O 3.45Å; K725-F737 HydrophobicContact CB-CE2 4.37Å; K725-F737 HydrophobicContact CD-CD2 3.89Å; K725-F737 HydrophobicContact CD-CE2 3.81Å; K725-L742 HydrophobicContact CB-CD1 3.96Å; K725-L742 HydrophobicContact CB-CD2 4.27Å; K725-L742 HydrophobicContact CD-CD1 4.07Å; K725-L742 HydrophobicContact CG-CD1 4.15Å
726Q78.9Confident76.4Confident124 Ų12475.6 Ų75.658%0.57937%0.373SS*.Hα-helixtrans-69.5-37177.6-62.8-176.72.900112D723 F724 L729 R730D723-Q726 WeakPolarHBondContact O-CB 3.37Å; D723-Q726 PolarHBondContact O-N 3.31Å; F724-Q726 VanDerWaalsContact C-N 3.27Å; F724-Q726 PolarHBondContact O-N 3.01Å; Q726-L729 PolarHBondContact O-N 3.16Å; Q726-R730 PolarHBondContact O-N 3.03Å
727V80.1Confident77.5Confident31 Ų3176 Ų7619%0.18837%0.373CS..Hα-helixtrans-63.3-46.3174.6177.70000110.5D723 F724 L729 R730 E731D723-V727 PolarHBondContact O-N 2.98Å; D723-V727 VanDerWaalsContact O-N 3.16Å; F724-V727 WeakPolarHBondContact O-CB 3.19Å; F724-V727 PolarHBondContact O-N 3.22Å; V727-L729 PolarHBondContact O-N 3.33Å; V727-R730 WeakPolarHBondContact O-CB 3.44Å; V727-R730 PolarHBondContact O-N 3.45Å; V727-E731 PolarHBondContact O-N 3.27Å; V727-E731 VanDerWaalsContact O-N 3.14Å
728L81.6Confident78.2Confident0 Ų077.5 Ų77.50%038%0.384CS..Hα-helixtrans-62.3-41.2177.3-69.5170.8000112.8F724 R730 E731 G732 I733 A735 L742 C744 I771 L774F724-L728 HydrophobicContact CD1-CD1 3.75Å; F724-L728 HydrophobicContact CD1-CG 4.29Å; F724-L728 HydrophobicContact CE1-CD1 3.54Å; F724-L728 HydrophobicContact CE1-CD2 4.22Å; F724-L728 HydrophobicContact CE1-CG 4Å; F724-L728 HydrophobicContact CE2-CD2 4.38Å; F724-L728 HydrophobicContact CE2-CG 4.31Å; F724-L728 HydrophobicContact CG-CD1 4.42Å; F724-L728 HydrophobicContact CZ-CD1 4.06Å; F724-L728 HydrophobicContact CZ-CD2 3.89Å; F724-L728 HydrophobicContact CZ-CG 4.01Å; F724-L728 WeakPolarHBondContact O-CG 3.45Å; F724-L728 PolarHBondContact O-N 3.18Å; L728-R730 VanDerWaalsContact C-N 3.31Å; L728-R730 PolarHBondContact O-N 2.88Å; L728-E731 PolarHBondContact O-N 3.14Å; L728-G732 PolarHBondContact O-N 3.29Å; L728-I733 CarbonylContact C-O 3.59Å; L728-I733 HydrophobicContact CB-CB 4.29Å; L728-I733 HydrophobicContact CD2-CB 4.36Å; L728-I733 HydrophobicContact CD2-CD1 3.92Å; L728-I733 HydrophobicContact CD2-CG2 4.33Å; L728-I733 WeakPolarHBondContact O-CB 3.19Å; L728-I733 PolarHBondContact O-N 3.45Å; L728-A735 HydrophobicContact CB-CB 4.22Å; L728-A735 HydrophobicContact CD1-CB 4.03Å; L728-L742 HydrophobicContact CD1-CD2 3.89Å; L728-C744 WeakPolarHBondContact CD1-SG 3.38Å; L728-I771 HydrophobicContact CD2-CG1 4.07Å; L728-I771 HydrophobicContact CD2-CG2 4.18Å; L728-L774 HydrophobicContact CD2-CD1 4.15Å
729L80.1Confident78.2Confident97 Ų9774.6 Ų74.651%0.50839%0.393SS..Hα-helixtrans-64.2-35.5175.5-79.4164.4000112.4K725 Q726 V727 E731 G732K725-L729 HydrophobicContact CG-CD1 4.06Å; K725-L729 WeakPolarHBondContact O-CB 3.47Å; K725-L729 WeakPolarHBondContact O-CG 3.28Å; K725-L729 PolarHBondContact O-N 3.01Å; Q726-L729 PolarHBondContact O-N 3.16Å; V727-L729 PolarHBondContact O-N 3.33Å; L729-E731 VanDerWaalsContact C-N 3.32Å; L729-G732 PolarHBondContact O-N 3.18Å
730R81.7Confident78.3Confident205 Ų20576.4 Ų76.477%0.77442%0.415SS*.Hα-helixtrans-67.4-34.7177.1-168.5-179.2-64.8173.90.8112Q726 V727 L728 G732Q726-R730 PolarHBondContact O-N 3.03Å; V727-R730 WeakPolarHBondContact O-CB 3.44Å; V727-R730 PolarHBondContact O-N 3.45Å; L728-R730 VanDerWaalsContact C-N 3.31Å; L728-R730 PolarHBondContact O-N 2.88Å; R730-G732 VanDerWaalsContact C-N 3.26Å; R730-G732 PolarHBondContact O-N 3.26Å
731E78.4Confident78.5Confident83 Ų8370.1 Ų70.139%0.38840%0.396SS..THydrogen-bonded Turntrans-83.85.6176-75.9-64.4131.300113.9V727 L728 L729 R770 L774V727-E731 PolarHBondContact O-N 3.27Å; V727-E731 VanDerWaalsContact O-N 3.14Å; L728-E731 PolarHBondContact O-N 3.14Å; L729-E731 VanDerWaalsContact C-N 3.32Å; E731-R770 IonicContact OE2-CZ 3.5Å; E731-R770 IonicContact OE2-NH2 3.24Å; E731-R770 PolarHBondContact OE2-NH2 3.48Å; E731-L774 HydrophobicContact CB-CD1 4.07Å; E731-L774 HydrophobicContact CG-CD1 3.95Å; E731-L774 HydrophobicContact CG-CD2 3.99Å
732G78.3Confident78.8Confident65 Ų6569 Ų6967%0.6739%0.39SS*.THydrogen-bonded Turntrans79.51517600000115.1L728 L729 R730L728-G732 PolarHBondContact O-N 3.29Å; L729-G732 PolarHBondContact O-N 3.18Å; R730-G732 VanDerWaalsContact C-N 3.26Å; R730-G732 PolarHBondContact O-N 3.26Å
733I80.9Confident79.1Confident6 Ų667.9 Ų67.93%0.03138%0.381CS..  trans-93124.7177.8-59.1172.6000108.7L728 A735 C744 I771 L774L728-I733 CarbonylContact C-O 3.59Å; L728-I733 HydrophobicContact CB-CB 4.29Å; L728-I733 HydrophobicContact CD2-CB 4.36Å; L728-I733 HydrophobicContact CD2-CD1 3.92Å; L728-I733 HydrophobicContact CD2-CG2 4.33Å; L728-I733 WeakPolarHBondContact O-CB 3.19Å; L728-I733 PolarHBondContact O-N 3.45Å; I733-A735 PolarHBondContact O-N 3.06Å; I733-C744 HydrophobicContact CG2-CB 4.05Å; I733-I771 HydrophobicContact CD1-CG1 3.8Å; I733-I771 HydrophobicContact CG2-CD1 4.17Å; I733-I771 HydrophobicContact CG2-CG1 4.34Å; I733-L774 HydrophobicContact CD1-CD1 4.01Å
734Q77.9Confident79.2Confident145 Ų14564.2 Ų64.268%0.67836%0.361SS*.  trans-74.5118.6178.7-69.4-174-10.800109.7C744 N745Q734-C744 CarbonylContact O-C 3.58Å; Q734-C744 VanDerWaalsContact O-CA 3.28Å; Q734-C744 WeakPolarHBondContact O-CA 3.34Å; Q734-N745 PolarHBondContact N-OD1 2.92Å; Q734-N745 PolarHBondContact O-N 3.38Å
735A82.4Confident79.1Confident5 Ų566.4 Ų66.44%0.04137%0.373CS..EExtended strand (participates in β ladder)trans-126.8120-177.600000112.3K725 L728 I733 L742 V743K725-A735 WeakPolarHBondContact CE-O 3.49Å; K725-A735 HydrophobicContact CG-CB 4.15Å; K725-A735 PolarHBondContact NZ-O 3.45Å; L728-A735 HydrophobicContact CB-CB 4.22Å; L728-A735 HydrophobicContact CD1-CB 4.03Å; I733-A735 PolarHBondContact O-N 3.06Å; A735-L742 HydrophobicContact CB-CD1 4.08Å; A735-L742 HydrophobicContact CB-CG 4.39Å; A735-V743 CarbonylContact C-O 3.58Å; A735-V743 WeakPolarHBondContact CA-O 3.33Å
736E82.3Confident79Confident128 Ų12870.3 Ų70.360%0.59840%0.397SS*.EExtended strand (participates in β ladder)trans-121.2144.9-179.9-68.1-168.7167.200111.9V743E736-V743 PolarHBondContact N-O 3.17Å; E736-V743 PolarHBondContact O-N 3.48Å
737F81.2Confident78.9Confident92 Ų9268.6 Ų68.640%0.40439%0.391SS..EExtended strand (participates in β ladder)trans-90.3120.5175.5-88.4-77.3000109.7L721 K725 V741 L742L721-F737 HydrophobicContact CB-CE1 3.89Å; L721-F737 HydrophobicContact CB-CZ 3.65Å; L721-F737 HydrophobicContact CD1-CE1 4.38Å; K725-F737 HydrophobicContact CB-CE2 4.37Å; K725-F737 HydrophobicContact CD-CD2 3.89Å; K725-F737 HydrophobicContact CD-CE2 3.81Å; F737-V741 WeakPolarHBondContact CA-O 3.49Å; F737-L742 HydrophobicContact CD1-CB 4.48Å; F737-L742 HydrophobicContact CD1-CD1 4.31Å; F737-L742 HydrophobicContact CD2-CD1 3.9Å; F737-L742 HydrophobicContact CE1-CB 4.2Å; F737-L742 HydrophobicContact CE1-CD1 4.2Å; F737-L742 HydrophobicContact CE2-CD1 3.76Å; F737-L742 HydrophobicContact CG-CD1 4.18Å; F737-L742 HydrophobicContact CZ-CD1 3.93Å
738V77.7Confident79Confident89 Ų8967.2 Ų67.254%0.53938%0.383SS..EExtended strand (participates in β ladder)trans-127.3111.4175.5-175.30000108.2G740 V741 V743V738-G740 VanDerWaalsContact C-N 3.32Å; V738-G740 PolarHBondContact O-N 3.42Å; V738-V741 PolarHBondContact N-O 3.32Å; V738-V741 PolarHBondContact O-N 2.99Å; V738-V743 HydrophobicContact CB-CG2 4.29Å; V738-V743 HydrophobicContact CG2-CG2 4.31Å
739G66.4Low79Confident87 Ų8768.5 Ų68.590%0.89739%0.394SS*.THydrogen-bonded Turntrans60.931.6174.500000115.7V741G739-V741 VanDerWaalsContact C-N 3.33Å
740G70.3Confident79.1Confident57 Ų5763.9 Ų63.959%0.58837%0.37SS*.THydrogen-bonded Turntrans852.5-177.300000114.7V738V738-G740 VanDerWaalsContact C-N 3.32Å; V738-G740 PolarHBondContact O-N 3.42Å
741V79.5Confident79.2Confident41 Ų4159 Ų5925%0.24835%0.351CS..EExtended strand (participates in β ladder)trans-108.6137.6174.6-176.90000109.3F737 V738 G739 A749 R751F737-V741 WeakPolarHBondContact CA-O 3.49Å; V738-V741 PolarHBondContact N-O 3.32Å; V738-V741 PolarHBondContact O-N 2.99Å; G739-V741 VanDerWaalsContact C-N 3.33Å; V741-A749 HydrophobicContact CG1-CB 3.79Å; V741-R751 HydrophobicContact CG1-CB 4.08Å; V741-R751 HydrophobicContact CG2-CB 3.94Å
742L82.4Confident79.2Confident0 Ų060.5 Ų60.50%035%0.353CS..EExtended strand (participates in β ladder)trans-91.3108.2176.1-174.770.7000109.2F724 K725 L728 A735 F737 V750F724-L742 HydrophobicContact CD1-CD2 3.91Å; K725-L742 HydrophobicContact CB-CD1 3.96Å; K725-L742 HydrophobicContact CB-CD2 4.27Å; K725-L742 HydrophobicContact CD-CD1 4.07Å; K725-L742 HydrophobicContact CG-CD1 4.15Å; L728-L742 HydrophobicContact CD1-CD2 3.89Å; A735-L742 HydrophobicContact CB-CD1 4.08Å; A735-L742 HydrophobicContact CB-CG 4.39Å; F737-L742 HydrophobicContact CD1-CB 4.48Å; F737-L742 HydrophobicContact CD1-CD1 4.31Å; F737-L742 HydrophobicContact CD2-CD1 3.9Å; F737-L742 HydrophobicContact CE1-CB 4.2Å; F737-L742 HydrophobicContact CE1-CD1 4.2Å; F737-L742 HydrophobicContact CE2-CD1 3.76Å; F737-L742 HydrophobicContact CG-CD1 4.18Å; F737-L742 HydrophobicContact CZ-CD1 3.93Å; L742-V750 HydrophobicContact CB-CB 4.29Å; L742-V750 PolarHBondContact N-O 2.94Å; L742-V750 PolarHBondContact O-N 3.16Å
743V82.4Confident78.9Confident32 Ų3259.4 Ų59.419%0.19433%0.334CS..EExtended strand (participates in β ladder)trans-95.7120.6-179-177.50000109.2A735 E736 V738 V748A735-V743 CarbonylContact C-O 3.58Å; A735-V743 WeakPolarHBondContact CA-O 3.33Å; E736-V743 PolarHBondContact N-O 3.17Å; E736-V743 PolarHBondContact O-N 3.48Å; V738-V743 HydrophobicContact CB-CG2 4.29Å; V738-V743 HydrophobicContact CG2-CG2 4.31Å; V743-V748 CarbonylContact C-O 3.58Å; V743-V748 WeakPolarHBondContact CA-O 3.27Å
744C80.9Confident77.9Confident0 Ų069 Ų690%038%0.379CS..EExtended strand (participates in β ladder)trans-109.3125.9-176.8-530000109.9L728 I733 Q734 N746 L747 V748 I771L728-C744 WeakPolarHBondContact CD1-SG 3.38Å; I733-C744 HydrophobicContact CG2-CB 4.05Å; Q734-C744 CarbonylContact O-C 3.58Å; Q734-C744 VanDerWaalsContact O-CA 3.28Å; Q734-C744 WeakPolarHBondContact O-CA 3.34Å; C744-N746 PolarHBondContact O-N 2.99Å; C744-L747 PolarHBondContact O-N 3.35Å; C744-V748 HydrophobicContact CB-CB 4.42Å; C744-V748 PolarHBondContact N-O 3.07Å; C744-V748 PolarHBondContact O-N 3.39Å; C744-V748 VanDerWaalsContact O-N 3.07Å; C744-I771 HydrophobicContact CB-CD1 3.51Å
745N79.1Confident76.9Confident48 Ų4867.5 Ų67.526%0.25738%0.379SS..THydrogen-bonded Turntrans48.826.1-178-71.5-6.3000114.4Q734 L747 D767Q734-N745 PolarHBondContact N-OD1 2.92Å; Q734-N745 PolarHBondContact O-N 3.38Å; N745-L747 WeakPolarHBondContact O-CG 3.48Å; N745-L747 PolarHBondContact O-N 3.45Å; N745-D767 PolarHBondContact ND2-OD2 2.83Å
746N76.3Confident75.9Confident141 Ų14168.9 Ų68.975%0.75439%0.394SS*.THydrogen-bonded Turntrans53.916-172.2-67-22.5000115.4C744C744-N746 PolarHBondContact O-N 2.99Å
747L76.9Confident75.3Confident88 Ų8871.9 Ų71.946%0.46140%0.4SS..THydrogen-bonded Turntrans-121.8-28.6-173.3-71.4168.9000112.9C744 N745 G762C744-L747 PolarHBondContact O-N 3.35Å; N745-L747 WeakPolarHBondContact O-CG 3.48Å; N745-L747 PolarHBondContact O-N 3.45Å; L747-G762 WeakPolarHBondContact O-CA 3.44Å
748V81.9Confident75.1Confident2 Ų269.1 Ų69.11%0.01239%0.389CS..EExtended strand (participates in β ladder)trans-128.4130.6-176.3-175.60000109.6V743 C744 L760 F768 I771V743-V748 CarbonylContact C-O 3.58Å; V743-V748 WeakPolarHBondContact CA-O 3.27Å; C744-V748 HydrophobicContact CB-CB 4.42Å; C744-V748 PolarHBondContact N-O 3.07Å; C744-V748 PolarHBondContact O-N 3.39Å; C744-V748 VanDerWaalsContact O-N 3.07Å; V748-L760 HydrophobicContact CG1-CD1 4.34Å; V748-L760 HydrophobicContact CG1-CD2 3.94Å; V748-L760 HydrophobicContact CG1-CG 3.9Å; V748-F768 HydrophobicContact CG1-CD2 4.19Å; V748-F768 HydrophobicContact CG2-CB 4.04Å; V748-F768 HydrophobicContact CG2-CD2 4.11Å; V748-I771 HydrophobicContact CB-CD1 3.92Å; V748-I771 HydrophobicContact CG1-CD1 4.29Å; V748-I771 HydrophobicContact CG2-CD1 3.97Å
749A82.3Confident75.1Confident28 Ų2865.9 Ų65.923%0.23137%0.374CS..EExtended strand (participates in β ladder)trans-112.4124.8178.500000109.8V741 E761V741-A749 HydrophobicContact CG1-CB 3.79Å; A749-E761 PolarHBondContact N-O 3.19Å; A749-E761 PolarHBondContact O-N 3.28Å
750V82.1Confident76Confident0 Ų063.6 Ų63.60%034%0.34CS..EExtended strand (participates in β ladder)trans-108.4113.2175.7-173.50000108.1L721 F724 L742 I758 G759 L760 I771L721-V750 HydrophobicContact CD2-CG1 3.78Å; F724-V750 HydrophobicContact CE1-CG2 4.38Å; L742-V750 HydrophobicContact CB-CB 4.29Å; L742-V750 PolarHBondContact N-O 2.94Å; L742-V750 PolarHBondContact O-N 3.16Å; V750-I758 HydrophobicContact CG1-CG2 3.4Å; V750-I758 VanDerWaalsContact CG1-CG2 3.4Å; V750-G759 WeakPolarHBondContact CA-O 3.32Å; V750-L760 HydrophobicContact CG2-CD1 3.92Å; V750-L760 HydrophobicContact CG2-CG 4.21Å; V750-I771 HydrophobicContact CG2-CG2 4.34Å
751R83.8Confident76.5Confident101 Ų10165.5 Ų65.538%0.38133%0.334SS..EExtended strand (participates in β ladder)trans-118.6144.2-177.666.9179.3-177.7123.9-4.9111.1V741 I758 G759 E761V741-R751 HydrophobicContact CG1-CB 4.08Å; V741-R751 HydrophobicContact CG2-CB 3.94Å; R751-I758 CarbonylContact O-C 3.56Å; R751-I758 WeakPolarHBondContact O-CA 3.34Å; R751-G759 PolarHBondContact N-O 2.86Å; R751-G759 PolarHBondContact O-N 3.29Å; R751-E761 IonicContact CZ-OE1 3.13Å; R751-E761 IonicContact NE-OE1 2.8Å; R751-E761 PolarHBondContact NE-OE1 3.33Å; R751-E761 IonicContact NE-OE2 3.6Å; R751-E761 IonicContact NH2-OE1 2.69Å; R751-E761 PolarHBondContact NH2-OE1 3.04Å
752R78.2Confident76.6Confident115 Ų11565.3 Ų65.343%0.43434%0.341SS..EExtended strand (participates in β ladder)trans-94.1123.6167.1-164.2174.7-173.6-176.90.6108.4E718 L721 G756 R757E718-R752 IonicContact OE1-NH2 3.91Å; E718-R752 IonicContact OE2-CZ 3.84Å; E718-R752 IonicContact OE2-NH2 2.8Å; E718-R752 PolarHBondContact OE2-NH2 2.98Å; L721-R752 HydrophobicContact CD1-CB 4.25Å; R752-G756 PolarHBondContact NE-O 2.8Å; R752-R757 CarbonylContact C-O 3.6Å; R752-R757 WeakPolarHBondContact CA-O 3.19Å
753T72.6Confident76.3Confident42 Ų4269.6 Ų69.626%0.25837%0.37SS..  trans-78160173.553.40000110.7T755 G756 R757T753-T755 PolarHBondContact O-N 2.99Å; T753-T755 PolarHBondContact OG1-OG1 2.94Å; T753-T755 VanDerWaalsContact OG1-OG1 3.08Å; T753-G756 PolarHBondContact O-N 2.85Å; T753-R757 PolarHBondContact N-O 2.91Å; T753-R757 PolarHBondContact OG1-O 3.03Å; T753-R757 VanDerWaalsContact OG1-O 3.12Å
754E58.5Low76Confident209 Ų20974.8 Ų74.898%0.97740%0.395SS*.THydrogen-bonded Turntrans-57.7-22.2-180-64.2177.2176.100113.4G756E754-G756 VanDerWaalsContact C-N 3.27Å; E754-G756 PolarHBondContact O-N 3.24Å
755T57.2Low75.9Confident112 Ų11276.5 Ų76.569%0.68741%0.407SS*.THydrogen-bonded Turntrans-82.66.9174.953.40000114.4T753 R757T753-T755 PolarHBondContact O-N 2.99Å; T753-T755 PolarHBondContact OG1-OG1 2.94Å; T753-T755 VanDerWaalsContact OG1-OG1 3.08Å; T755-R757 VanDerWaalsContact C-N 3.3Å; T755-R757 PolarHBondContact O-N 3.35Å
756G62.2Low75.8Confident34 Ų3482.6 Ų82.635%0.35143%0.434SS..SBendtrans83.4-6.1177.600000115.5R752 T753 E754R752-G756 PolarHBondContact NE-O 2.8Å; T753-G756 PolarHBondContact O-N 2.85Å; E754-G756 VanDerWaalsContact C-N 3.27Å; E754-G756 PolarHBondContact O-N 3.24Å
757R69.2Low75.9Confident191 Ų19178.2 Ų78.272%0.72141%0.411SS*.PPolyproline II helixtrans-77.8145.6178.1-60.9-177-179.9-176.4-1.4111.7R752 T753 T755R752-R757 CarbonylContact C-O 3.6Å; R752-R757 WeakPolarHBondContact CA-O 3.19Å; T753-R757 PolarHBondContact N-O 2.91Å; T753-R757 PolarHBondContact OG1-O 3.03Å; T753-R757 VanDerWaalsContact OG1-O 3.12Å; T755-R757 VanDerWaalsContact C-N 3.3Å; T755-R757 PolarHBondContact O-N 3.35Å
758I78Confident76.1Confident35 Ų3575.5 Ų75.518%0.17940%0.395CS..EExtended strand (participates in β ladder)trans-93.8118.2173.4-58-171.2000108.6P719 L721 V750 R751 L775 Y779P719-I758 HydrophobicContact CG-CD1 3.91Å; L721-I758 HydrophobicContact CD2-CD1 4.37Å; V750-I758 HydrophobicContact CG1-CG2 3.4Å; V750-I758 VanDerWaalsContact CG1-CG2 3.4Å; R751-I758 CarbonylContact O-C 3.56Å; R751-I758 WeakPolarHBondContact O-CA 3.34Å; I758-L775 HydrophobicContact CG2-CD2 4.09Å; I758-Y779 WeakPolarHBondContact CD1-OH 3.48Å; I758-Y779 WeakPolarHBondContact CG1-OH 3.44Å
759G77.9Confident76.1Confident21 Ų2180.3 Ų80.322%0.21641%0.414CS..EExtended strand (participates in β ladder)trans-97.6132.6171.500000110.4V750 R751V750-G759 WeakPolarHBondContact CA-O 3.32Å; R751-G759 PolarHBondContact N-O 2.86Å; R751-G759 PolarHBondContact O-N 3.29Å
760L84Confident76.1Confident38 Ų3884.7 Ų84.720%0.19943%0.425CS..EExtended strand (participates in β ladder)trans-113.9115.2176-173.2143.8000108.2V748 V750 F768 I771 L775V748-L760 HydrophobicContact CG1-CD1 4.34Å; V748-L760 HydrophobicContact CG1-CD2 3.94Å; V748-L760 HydrophobicContact CG1-CG 3.9Å; V750-L760 HydrophobicContact CG2-CD1 3.92Å; V750-L760 HydrophobicContact CG2-CG 4.21Å; L760-F768 HydrophobicContact CD2-CD1 4.42Å; L760-F768 HydrophobicContact CD2-CD2 3.6Å; L760-F768 HydrophobicContact CD2-CE1 4.01Å; L760-F768 HydrophobicContact CD2-CE2 3.12Å; L760-F768 HydrophobicContact CD2-CG 4.23Å; L760-F768 HydrophobicContact CD2-CZ 3.34Å; L760-F768 HydrophobicContact CG-CE2 4.48Å; L760-I771 HydrophobicContact CD1-CG2 3.85Å; L760-L775 HydrophobicContact CD1-CD2 4.07Å
761E81.6Confident76.1Confident97 Ų9784.7 Ų84.745%0.45343%0.425SS..EExtended strand (participates in β ladder)trans-122.2129.5-174.3-69.7177-176.100109.4A749 R751A749-E761 PolarHBondContact N-O 3.19Å; A749-E761 PolarHBondContact O-N 3.28Å; R751-E761 IonicContact CZ-OE1 3.13Å; R751-E761 IonicContact NE-OE1 2.8Å; R751-E761 PolarHBondContact NE-OE1 3.33Å; R751-E761 IonicContact NE-OE2 3.6Å; R751-E761 IonicContact NH2-OE1 2.69Å; R751-E761 PolarHBondContact NH2-OE1 3.04Å
762G81.7Confident76Confident38 Ų3884 Ų8439%0.39242%0.422SS..EExtended strand (participates in β ladder)trans178.5171.1-17900000113L747L747-G762 WeakPolarHBondContact O-CA 3.44Å
763C76Confident76.1Confident90 Ų9082 Ų8261%0.60842%0.42SS*.  trans-70.5143.9172.2-690000110.2C765 F768C763-C765 PolarHBondContact O-N 2.94Å; C763-C765 PolarHBondContact O-SG 2.86Å; C763-C765 VanDerWaalsContact O-SG 3.4Å; C763-F768 WeakPolarHBondContact O-CB 3.48Å
764L74.8Confident76.5Confident140 Ų14080.7 Ų80.773%0.73341%0.411SS*.SBendtrans-67.289.5176.6-67.6165.4000110.2F768L764-F768 HydrophobicContact CD2-CE1 4.49Å
765C79.1Confident77.4Confident37 Ų3771.4 Ų71.425%0.2537%0.368CS..SBendtrans-127.4167.8177.261.70000111.1C763 D767 F768 Y769C763-C765 PolarHBondContact O-N 2.94Å; C763-C765 PolarHBondContact O-SG 2.86Å; C763-C765 VanDerWaalsContact O-SG 3.4Å; C765-D767 PolarHBondContact O-N 3.08Å; C765-F768 VanDerWaalsContact O-CB 3.31Å; C765-F768 WeakPolarHBondContact O-CB 3.49Å; C765-F768 PolarHBondContact O-N 2.76Å; C765-F768 PolarHBondContact SG-N 2.85Å; C765-F768 VanDerWaalsContact SG-N 3.43Å; C765-Y769 WeakPolarHBondContact O-CD2 3.1Å; C765-Y769 PolarHBondContact O-N 3.12Å
766Q77.7Confident78.3Confident175 Ų17571.3 Ų71.382%0.81836%0.356SS*.Hα-helixtrans-57.9-36.2177-80.5-178.2-14.300112.1F768 Y769 R770Q766-F768 VanDerWaalsContact C-N 3.31Å; Q766-F768 PolarHBondContact O-N 3.43Å; Q766-Y769 PolarHBondContact O-N 3.04Å; Q766-R770 WeakPolarHBondContact O-CB 3.48Å; Q766-R770 PolarHBondContact O-N 3.4Å
767D77.7Confident78.9Confident49 Ų4976.3 Ų76.326%0.26237%0.37SS..Hα-helixtrans-64.1-34.8175.9-69.3-4.4000112.1N745 C765 R770 I771N745-D767 PolarHBondContact ND2-OD2 2.83Å; C765-D767 PolarHBondContact O-N 3.08Å; D767-R770 PolarHBondContact O-N 3.38Å; D767-I771 HydrophobicContact CB-CD1 4.44Å; D767-I771 WeakPolarHBondContact O-CB 3.47Å; D767-I771 VanDerWaalsContact O-CD1 3.3Å; D767-I771 WeakPolarHBondContact O-CD1 3.4Å; D767-I771 WeakPolarHBondContact O-CG1 3.36Å; D767-I771 PolarHBondContact O-N 3.08Å
768F82.6Confident79.1Confident32 Ų3270.2 Ų70.214%0.1435%0.35CS..Hα-helixtrans-61.6-46.7175.7-179.9-83.4000111.8V748 L760 C763 L764 C765 Q766 R772V748-F768 HydrophobicContact CG1-CD2 4.19Å; V748-F768 HydrophobicContact CG2-CB 4.04Å; V748-F768 HydrophobicContact CG2-CD2 4.11Å; L760-F768 HydrophobicContact CD2-CD1 4.42Å; L760-F768 HydrophobicContact CD2-CD2 3.6Å; L760-F768 HydrophobicContact CD2-CE1 4.01Å; L760-F768 HydrophobicContact CD2-CE2 3.12Å; L760-F768 HydrophobicContact CD2-CG 4.23Å; L760-F768 HydrophobicContact CD2-CZ 3.34Å; L760-F768 HydrophobicContact CG-CE2 4.48Å; C763-F768 WeakPolarHBondContact O-CB 3.48Å; L764-F768 HydrophobicContact CD2-CE1 4.49Å; C765-F768 VanDerWaalsContact O-CB 3.31Å; C765-F768 WeakPolarHBondContact O-CB 3.49Å; C765-F768 PolarHBondContact O-N 2.76Å; C765-F768 PolarHBondContact SG-N 2.85Å; C765-F768 VanDerWaalsContact SG-N 3.43Å; Q766-F768 VanDerWaalsContact C-N 3.31Å; Q766-F768 PolarHBondContact O-N 3.43Å; F768-R772 VanDerWaalsContact O-CB 3.27Å; F768-R772 WeakPolarHBondContact O-CB 3.35Å; F768-R772 PolarHBondContact O-N 3.43Å
769Y82.1Confident78.6Confident102 Ų10270.6 Ų70.640%0.435%0.349SS..Hα-helixtrans-66.8-41.6177.6-69-72000111.5C765 Q766 R772 D773C765-Y769 WeakPolarHBondContact O-CD2 3.1Å; C765-Y769 PolarHBondContact O-N 3.12Å; Q766-Y769 PolarHBondContact O-N 3.04Å; Y769-R772 WeakPolarHBondContact O-CB 3.47Å; Y769-R772 PolarHBondContact O-N 2.92Å; Y769-D773 PolarHBondContact O-N 2.79Å
770R80.9Confident77.8Confident121 Ų12170.3 Ų70.346%0.45735%0.345SS..Hα-helixtrans-63.8-43177.8-168.6172.1179.9178.4-3.3112.7E731 Q766 D767 D773 L774E731-R770 IonicContact OE2-CZ 3.5Å; E731-R770 IonicContact OE2-NH2 3.24Å; E731-R770 PolarHBondContact OE2-NH2 3.48Å; Q766-R770 WeakPolarHBondContact O-CB 3.48Å; Q766-R770 PolarHBondContact O-N 3.4Å; D767-R770 PolarHBondContact O-N 3.38Å; R770-D773 PolarHBondContact O-N 2.99Å; R770-L774 HydrophobicContact CG-CD1 4.42Å; R770-L774 WeakPolarHBondContact O-CB 3.3Å; R770-L774 VanDerWaalsContact O-CG 3.28Å; R770-L774 WeakPolarHBondContact O-CG 3.41Å; R770-L774 PolarHBondContact O-N 3.03Å
771I82Confident76.8Confident0 Ų071.5 Ų71.50%035%0.351CS..Hα-helixtrans-67.6-37.9177-65.9162.2000110.7F724 L728 I733 C744 V748 V750 L760 D767 L775F724-I771 HydrophobicContact CE1-CG2 4.21Å; F724-I771 HydrophobicContact CZ-CG2 4.11Å; L728-I771 HydrophobicContact CD2-CG1 4.07Å; L728-I771 HydrophobicContact CD2-CG2 4.18Å; I733-I771 HydrophobicContact CD1-CG1 3.8Å; I733-I771 HydrophobicContact CG2-CD1 4.17Å; I733-I771 HydrophobicContact CG2-CG1 4.34Å; C744-I771 HydrophobicContact CB-CD1 3.51Å; V748-I771 HydrophobicContact CB-CD1 3.92Å; V748-I771 HydrophobicContact CG1-CD1 4.29Å; V748-I771 HydrophobicContact CG2-CD1 3.97Å; V750-I771 HydrophobicContact CG2-CG2 4.34Å; L760-I771 HydrophobicContact CD1-CG2 3.85Å; D767-I771 HydrophobicContact CB-CD1 4.44Å; D767-I771 WeakPolarHBondContact O-CB 3.47Å; D767-I771 VanDerWaalsContact O-CD1 3.3Å; D767-I771 WeakPolarHBondContact O-CD1 3.4Å; D767-I771 WeakPolarHBondContact O-CG1 3.36Å; D767-I771 PolarHBondContact O-N 3.08Å; I771-L775 WeakPolarHBondContact O-CB 3.48Å; I771-L775 PolarHBondContact O-N 2.74Å
772R82.3Confident75.7Confident86 Ų8668.5 Ų68.533%0.32534%0.339SS..Hα-helixtrans-62.8-45.8175.5-178.3-161.369.4178.6-0.8111.6F768 Y769 L775 Y776F768-R772 VanDerWaalsContact O-CB 3.27Å; F768-R772 WeakPolarHBondContact O-CB 3.35Å; F768-R772 PolarHBondContact O-N 3.43Å; Y769-R772 WeakPolarHBondContact O-CB 3.47Å; Y769-R772 PolarHBondContact O-N 2.92Å; R772-L775 WeakPolarHBondContact O-CB 3.31Å; R772-L775 PolarHBondContact O-N 3.01Å; R772-Y776 HydrophobicContact CG-CD2 3.88Å; R772-Y776 HydrophobicContact CG-CE2 3.51Å; R772-Y776 WeakPolarHBondContact O-CD2 3.47Å; R772-Y776 PolarHBondContact O-N 3.33Å
773D81.1Confident75.4Confident72 Ų7270 Ų7039%0.38534%0.336SS..Hα-helixtrans-67-42.5-178.2-61.2-14000110.3Y769 R770 L775 Y776 E777Y769-D773 PolarHBondContact O-N 2.79Å; R770-D773 PolarHBondContact O-N 2.99Å; D773-L775 VanDerWaalsContact C-N 3.28Å; D773-L775 PolarHBondContact O-N 3.07Å; D773-Y776 PolarHBondContact O-N 2.74Å; D773-Y776 VanDerWaalsContact O-N 3.16Å; D773-E777 WeakPolarHBondContact O-CG 3.34Å; D773-E777 PolarHBondContact O-N 2.87Å
774L79.4Confident75.4Confident15 Ų1568.9 Ų68.98%0.07932%0.322CS..Hα-helixtrans-61.5-33.6171.8-71.1171.6000113.2F724 L728 E731 I733 R770 Q778F724-L774 HydrophobicContact CE2-CB 4.21Å; L728-L774 HydrophobicContact CD2-CD1 4.15Å; E731-L774 HydrophobicContact CB-CD1 4.07Å; E731-L774 HydrophobicContact CG-CD1 3.95Å; E731-L774 HydrophobicContact CG-CD2 3.99Å; I733-L774 HydrophobicContact CD1-CD1 4.01Å; R770-L774 HydrophobicContact CG-CD1 4.42Å; R770-L774 WeakPolarHBondContact O-CB 3.3Å; R770-L774 VanDerWaalsContact O-CG 3.28Å; R770-L774 WeakPolarHBondContact O-CG 3.41Å; R770-L774 PolarHBondContact O-N 3.03Å; L774-Q778 WeakPolarHBondContact O-CG 3.33Å
775L78Confident75.4Confident14 Ų1465 Ų657%0.07330%0.299CS..Hα-helixtrans-69.5-40.9175.7-175.467.7000110.8F724 I758 L760 I771 R772 D773 Q778 Y779F724-L775 HydrophobicContact CD1-CD1 4.03Å; F724-L775 HydrophobicContact CD2-CD1 4.13Å; F724-L775 HydrophobicContact CE1-CB 4.38Å; F724-L775 HydrophobicContact CE1-CD1 3.83Å; F724-L775 HydrophobicContact CE2-CB 3.97Å; F724-L775 HydrophobicContact CE2-CD1 3.96Å; F724-L775 HydrophobicContact CG-CD1 4.18Å; F724-L775 HydrophobicContact CZ-CB 3.66Å; F724-L775 HydrophobicContact CZ-CD1 3.8Å; F724-L775 HydrophobicContact CZ-CG 4.31Å; I758-L775 HydrophobicContact CG2-CD2 4.09Å; L760-L775 HydrophobicContact CD1-CD2 4.07Å; I771-L775 WeakPolarHBondContact O-CB 3.48Å; I771-L775 PolarHBondContact O-N 2.74Å; R772-L775 WeakPolarHBondContact O-CB 3.31Å; R772-L775 PolarHBondContact O-N 3.01Å; D773-L775 VanDerWaalsContact C-N 3.28Å; D773-L775 PolarHBondContact O-N 3.07Å; L775-Q778 WeakPolarHBondContact O-CB 3.45Å; L775-Q778 PolarHBondContact O-N 2.88Å; L775-Y779 HydrophobicContact CD1-CE2 4.38Å; L775-Y779 HydrophobicContact CG-CE2 4.26Å; L775-Y779 VanDerWaalsContact O-CD2 3.28Å; L775-Y779 WeakPolarHBondContact O-CD2 3.44Å
776Y76.4Confident75.2Confident110 Ų11066.6 Ų66.643%0.43130%0.302SS..Hα-helixtrans-66.9-34.6176.9-76.1-48.8000112.9F715 R772 D773 Q778 Y779 I781F715-Y776 AromaticContact CE1-CD1 3.96Å; F715-Y776 HydrophobicContact CE1-CD1 3.96Å; F715-Y776 AromaticContact CE1-CE1 3.77Å; F715-Y776 HydrophobicContact CE1-CE1 3.77Å; F715-Y776 HydrophobicContact CZ-CE1 4.18Å; R772-Y776 HydrophobicContact CG-CD2 3.88Å; R772-Y776 HydrophobicContact CG-CE2 3.51Å; R772-Y776 WeakPolarHBondContact O-CD2 3.47Å; R772-Y776 PolarHBondContact O-N 3.33Å; D773-Y776 PolarHBondContact O-N 2.74Å; D773-Y776 VanDerWaalsContact O-N 3.16Å; Y776-Q778 PolarHBondContact O-N 2.84Å; Y776-Y779 PolarHBondContact O-N 2.8Å; Y776-I781 HydrophobicContact CD1-CD1 3.75Å; Y776-I781 HydrophobicContact CG-CD1 4.21Å
777E75.4Confident75.1Confident140 Ų14059.9 Ų59.965%0.65427%0.27SS*.THydrogen-bonded Turntrans-61.7-20.9173.1-73.7177.8-17900113.8D773 Y779D773-E777 WeakPolarHBondContact O-CG 3.34Å; D773-E777 PolarHBondContact O-N 2.87Å; E777-Y779 VanDerWaalsContact C-N 3.34Å
778Q71.6Confident74.9Confident63 Ų6360.6 Ų60.629%0.29427%0.27SS..THydrogen-bonded Turntrans-81.5-14.5175.5-61.4-56.4-58.600113.5P719 F724 L774 L775 Y776P719-Q778 HydrophobicContact CB-CB 4.17Å; F724-Q778 HydrophobicContact CD2-CG 3.95Å; F724-Q778 HydrophobicContact CE2-CG 4.38Å; L774-Q778 WeakPolarHBondContact O-CG 3.33Å; L775-Q778 WeakPolarHBondContact O-CB 3.45Å; L775-Q778 PolarHBondContact O-N 2.88Å; Y776-Q778 PolarHBondContact O-N 2.84Å
779Y68.2Low74.3Confident42 Ų4262.6 Ų62.617%0.16528%0.28CS..SBendtrans-97137.5175.7-72.4-80.1000110F715 N717 P719 I758 L775 Y776 E777 I781F715-Y779 HydrophobicContact CB-CD1 3.82Å; F715-Y779 HydrophobicContact CB-CE1 4.21Å; F715-Y779 HydrophobicContact CB-CG 4.42Å; F715-Y779 HydrophobicContact CD1-CD1 4.17Å; F715-Y779 HydrophobicContact CD1-CD2 4.37Å; F715-Y779 AromaticContact CD1-CG 3.93Å; F715-Y779 HydrophobicContact CD1-CG 3.93Å; F715-Y779 HydrophobicContact CG-CD1 4.46Å; N717-Y779 WeakPolarHBondContact O-CD1 3.28Å; N717-Y779 WeakPolarHBondContact O-CE1 3.34Å; P719-Y779 WeakPolarHBondContact CD-OH 3.49Å; P719-Y779 HydrophobicContact CG-CD1 4.28Å; P719-Y779 HydrophobicContact CG-CD2 4.28Å; P719-Y779 HydrophobicContact CG-CE1 3.63Å; P719-Y779 HydrophobicContact CG-CE2 3.6Å; P719-Y779 WeakPolarHBondContact CG-OH 3.08Å; I758-Y779 WeakPolarHBondContact CD1-OH 3.48Å; I758-Y779 WeakPolarHBondContact CG1-OH 3.44Å; L775-Y779 HydrophobicContact CD1-CE2 4.38Å; L775-Y779 HydrophobicContact CG-CE2 4.26Å; L775-Y779 VanDerWaalsContact O-CD2 3.28Å; L775-Y779 WeakPolarHBondContact O-CD2 3.44Å; Y776-Y779 PolarHBondContact O-N 2.8Å; E777-Y779 VanDerWaalsContact C-N 3.34Å; Y779-I781 PolarHBondContact O-N 2.91Å
780A61.7Low73.7Confident15 Ų1559.6 Ų59.612%0.12427%0.27CS..EExtended strand (participates in β ladder)trans-79.8102159.400000106.1A623 M716A623-A780 HydrophobicContact CB-CB 3.88Å; M716-A780 HydrophobicContact CB-CB 4.29Å; M716-A780 PolarHBondContact N-O 2.8Å; M716-A780 PolarHBondContact O-N 2.69Å
781I63Low73.1Confident63 Ų6354.5 Ų54.532%0.32326%0.255SS..EExtended strand (participates in β ladder)trans-93.6113.4178.1-52174.9000106F715 Y776 Y779F715-I781 HydrophobicContact CD1-CD1 4.19Å; F715-I781 HydrophobicContact CD1-CG1 3.81Å; F715-I781 HydrophobicContact CE1-CD1 3.71Å; F715-I781 HydrophobicContact CE1-CG1 3.8Å; F715-I781 HydrophobicContact CE1-CG2 4.4Å; Y776-I781 HydrophobicContact CD1-CD1 3.75Å; Y776-I781 HydrophobicContact CG-CD1 4.21Å; Y779-I781 PolarHBondContact O-N 2.91Å
782V58.7Low72.3Confident34 Ų3459.5 Ų59.521%0.20628%0.278CS..  trans-105.30167.9179.50000108.5C621 L628 W630 H711 V714C621-V782 HydrophobicContact CB-CG2 3.97Å; L628-V782 HydrophobicContact CD2-CB 3.94Å; L628-V782 HydrophobicContact CD2-CG1 3.94Å; L628-V782 HydrophobicContact CD2-CG2 3.43Å; L628-V782 VanDerWaalsContact CD2-CG2 3.43Å; W630-V782 HydrophobicContact CB-CG1 3.78Å; H711-V782 PolarHBondContact CE1-O 2.8Å; H711-V782 PolarHBondContact CE1-OXT 3.06Å; H711-V782 PolarHBondContact NE2-OXT 3.25Å; V714-V782 PolarHBondContact N-O 2.89Å; V714-V782 PolarHBondContact O-N 3.05Å

Retrieved 782 of 782 residues in 282.9 ms (Link to these results)

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