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Cleavage and polyadenylation specificity factor subunit 2

Component of the cleavage and polyadenylation specificity factor (CPSF) complex that play a key role in pre-mRNA 3'-end formation, recognizing the AAUAAA signal sequence and interacting with poly(A) polymerase and other factors to bring about cleavage and poly(A) addition. Involved in the histone 3' end pre-mRNA processing.

AlphaFold DB , UniProt , Accession F6YTM3, Species MACMU (Macaca mulatta, Rhesus macaque), Gene CPSF2, 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
1M52.5Low86.2Confident234 Ų23441.8 Ų41.8100%1.15321%0.214SC*.  0149.70-79.9177.4-109.400107.4
2T68.8Low86.2Confident35 Ų3538.7 Ų38.722%0.21520%0.199CC..PPolyproline II helixtrans-76.6126177.7-36.20000109T600 S601 H604T2-T600 HydrophobicContact CG2-CG2 4.47Å; T2-S601 WeakPolarHBondContact CG2-O 3.4Å; T2-H604 PolarHBondContact OG1-CE1 2.89Å; T2-H604 PolarHBondContact OG1-ND1 2.95Å
3S79.6Confident86.3Confident9 Ų936.5 Ų36.56%0.06319%0.189CC..PPolyproline II helixtrans-71.4143.4-178.8-730000112.7D26 E167 T600S3-D26 WeakPolarHBondContact CA-OD1 3.27Å; S3-D26 WeakPolarHBondContact CB-OD1 3.39Å; S3-D26 PolarHBondContact OG-OD1 3.44Å; S3-D26 PolarHBondContact OG-OD2 3.04Å; S3-E167 VanDerWaalsContact CB-CD 3.47Å; S3-E167 VanDerWaalsContact CB-OE1 3.22Å; S3-E167 WeakPolarHBondContact CB-OE1 3.07Å; S3-E167 WeakPolarHBondContact CB-OE2 3.43Å; S3-E167 PolarHBondContact N-OE1 3.32Å; S3-E167 PolarHBondContact OG-OE1 2.87Å; S3-E167 PolarHBondContact OG-OE2 3.41Å; S3-T600 VanDerWaalsContact O-CG2 3.24Å; S3-T600 WeakPolarHBondContact O-CG2 3.32Å
4I87.8Confident85.9Confident76 Ų7639.9 Ų39.939%0.3920%0.204SC..PPolyproline II helixtrans-85.8117.6177.6-63.2170.3000108.4K6 V25 D26I4-K6 HydrophobicContact CG2-CD 4.1Å; I4-K6 HydrophobicContact CG2-CG 4.05Å; I4-V25 CarbonylContact O-C 3.58Å; I4-V25 WeakPolarHBondContact O-CA 3.49Å; I4-D26 PolarHBondContact N-OD1 3.01Å; I4-D26 PolarHBondContact O-N 3.47Å
5I92.4Very high85.7Confident5 Ų544.3 Ų44.33%0.02622%0.223CC..EExtended strand (participates in β ladder)trans-118112-179.4-54.7168.9000109.2L23 Q24 I170 L197 A599 T600I5-L23 HydrophobicContact CG2-CD1 4.03Å; I5-Q24 WeakPolarHBondContact CA-O 3.45Å; I5-I170 HydrophobicContact CD1-CD1 3.82Å; I5-I170 HydrophobicContact CD1-CG1 4.24Å; I5-I170 HydrophobicContact CG1-CD1 4.15Å; I5-I170 HydrophobicContact CG2-CD1 4.02Å; I5-L197 HydrophobicContact CG2-CD2 3.88Å; I5-A599 HydrophobicContact CG2-CB 4.43Å; I5-A599 CarbonylContact O-C 3.54Å; I5-A599 PolarHBondContact O-N 3.45Å; I5-T600 PolarHBondContact N-OG1 3.05Å; I5-T600 PolarHBondContact O-N 3.38Å
6K94.9Very high85.5Confident66 Ų6642.7 Ų42.729%0.28721%0.214SC..EExtended strand (participates in β ladder)trans-130.6131.5-180-63.6-178.9178.5179.80111.2I4 Q24 T596 V597 D598I4-K6 HydrophobicContact CG2-CD 4.1Å; I4-K6 HydrophobicContact CG2-CG 4.05Å; K6-Q24 HydrophobicContact CB-CB 4.29Å; K6-Q24 PolarHBondContact N-O 3.25Å; K6-Q24 PolarHBondContact O-N 3.18Å; K6-T596 HydrophobicContact CB-CG2 4.02Å; K6-T596 HydrophobicContact CD-CG2 4.44Å; K6-V597 WeakPolarHBondContact CA-O 3.31Å; K6-D598 WeakPolarHBondContact CE-OD2 3.35Å; K6-D598 HydrophobicContact CG-CB 4.45Å; K6-D598 IonicContact NZ-OD2 3.96Å
7L96.4Very high85.2Confident1 Ų141.2 Ų41.21%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-110.9125.6173.9-173.974.8000109.4L22 L23 L32 I199 I562 V564 T596 V597L7-L22 WeakPolarHBondContact CA-O 3.37Å; L7-L23 HydrophobicContact CD1-CB 3.94Å; L7-L23 HydrophobicContact CD1-CD1 4.2Å; L7-L32 HydrophobicContact CD1-CD1 4.3Å; L7-I199 HydrophobicContact CD1-CD1 3.93Å; L7-I199 HydrophobicContact CD2-CD1 4.04Å; L7-I199 HydrophobicContact CD2-CG1 4.36Å; L7-I199 HydrophobicContact CD2-CG2 4.26Å; L7-I562 HydrophobicContact CB-CD1 3.99Å; L7-I562 HydrophobicContact CD2-CB 4.46Å; L7-I562 HydrophobicContact CD2-CD1 3.79Å; L7-I562 HydrophobicContact CD2-CG2 3.85Å; L7-V564 HydrophobicContact CD2-CG1 4.26Å; L7-T596 CarbonylContact O-C 3.52Å; L7-T596 WeakPolarHBondContact O-CA 3.42Å; L7-V597 PolarHBondContact N-O 3.38Å; L7-V597 PolarHBondContact O-N 3.09Å
8T95.9Very high85.4Confident21 Ų2139 Ų3913%0.12920%0.198CC..EExtended strand (participates in β ladder)trans-110.4125.5170.8-52.20000109.6L10 L22 T596T8-L10 HydrophobicContact CG2-CD2 4.27Å; T8-L10 PolarHBondContact O-N 3.49Å; T8-L22 PolarHBondContact N-O 3.33Å; T8-L22 PolarHBondContact O-N 3.28Å; T8-T596 WeakPolarHBondContact OG1-CG2 3.28Å; T8-T596 PolarHBondContact OG1-OG1 2.95Å
9T94.3Very high85.7Confident0 Ų037.1 Ų37.10%019%0.188CC..EExtended strand (participates in β ladder)trans-85.9105.917944.40000110.7V13 Y21 P591 K592 H594 E595T9-V13 HydrophobicContact CG2-CB 4.42Å; T9-V13 HydrophobicContact CG2-CG2 4.41Å; T9-Y21 HydrophobicContact CG2-CD1 3.92Å; T9-Y21 HydrophobicContact CG2-CE1 4.04Å; T9-P591 HydrophobicContact CG2-CB 3.85Å; T9-P591 HydrophobicContact CG2-CG 3.64Å; T9-K592 PolarHBondContact OG1-O 2.84Å; T9-H594 WeakPolarHBondContact O-CA 3.37Å; T9-H594 PolarHBondContact O-N 2.97Å; T9-E595 PolarHBondContact N-O 3.39Å; T9-E595 PolarHBondContact OG1-N 3.37Å; T9-E595 PolarHBondContact OG1-O 3.03Å
10L92.9Very high86.2Confident3 Ų335.3 Ų35.32%0.01618%0.179CC..EExtended strand (participates in β ladder)trans-81.2-41.6178.2-55.3-178.5000110.8T8 C20 L22 L31 L48 L593T8-L10 HydrophobicContact CG2-CD2 4.27Å; T8-L10 PolarHBondContact O-N 3.49Å; L10-C20 HydrophobicContact CB-CB 4.32Å; L10-C20 WeakPolarHBondContact CB-O 3.41Å; L10-C20 PolarHBondContact N-O 3.45Å; L10-C20 VanDerWaalsContact N-O 3.09Å; L10-L22 HydrophobicContact CD1-CB 4.43Å; L10-L22 HydrophobicContact CG-CB 4.5Å; L10-L31 HydrophobicContact CD1-CD1 4.09Å; L10-L48 HydrophobicContact CD1-CD1 4.02Å; L10-L593 WeakPolarHBondContact O-CD1 3.46Å
11S92.3Very high86.7Confident10 Ų1033.6 Ų33.67%0.0717%0.171CC..EExtended strand (participates in β ladder)trans-148.2-176174.770.90000111.3V13 A18 C20 Y21 I44S11-V13 PolarHBondContact O-N 3.18Å; S11-A18 WeakPolarHBondContact CB-O 3.36Å; S11-A18 PolarHBondContact OG-O 3.05Å; S11-C20 PolarHBondContact N-O 3.26Å; S11-C20 VanDerWaalsContact N-O 3.16Å; S11-C20 VanDerWaalsContact OG-CB 3.25Å; S11-C20 WeakPolarHBondContact OG-CB 3.42Å; S11-C20 PolarHBondContact OG-N 3.42Å; S11-C20 VanDerWaalsContact OG-N 3.15Å; S11-Y21 VanDerWaalsContact O-CE1 3.26Å; S11-Y21 WeakPolarHBondContact O-CE1 3.43Å; S11-I44 WeakPolarHBondContact OG-CD1 3.39Å
12G86.4Confident88.9Confident4 Ų422.6 Ų22.64%0.04112%0.117CC..SBendtrans72.530168.400000114.5A18 Y21 H565G12-A18 WeakPolarHBondContact CA-O 3.35Å; G12-A18 PolarHBondContact N-O 3.31Å; G12-Y21 PolarHBondContact O-OH 3.38Å; G12-H565 WeakPolarHBondContact O-CA 3.47Å; G12-H565 WeakPolarHBondContact O-CB 3.44Å; G12-H565 PolarHBondContact O-N 3.4Å
13V88Confident90.2Very high10 Ų1021 Ų216%0.06111%0.106CC..SBendtrans-131.7140.8-179.377.30000110.9T9 S11 E15 P591 K592 L593T9-V13 HydrophobicContact CG2-CB 4.42Å; T9-V13 HydrophobicContact CG2-CG2 4.41Å; S11-V13 PolarHBondContact O-N 3.18Å; V13-E15 PolarHBondContact O-N 2.96Å; V13-E15 VanDerWaalsContact O-N 3.07Å; V13-P591 HydrophobicContact CG2-CG 4.35Å; V13-P591 WeakPolarHBondContact CG2-O 3.43Å; V13-K592 VanDerWaalsContact CG1-C 3.49Å; V13-L593 VanDerWaalsContact CG1-CA 3.46Å; V13-L593 HydrophobicContact CG1-CB 3.95Å; V13-L593 HydrophobicContact CG1-CD1 4.03Å; V13-L593 VanDerWaalsContact CG1-N 3.26Å
14Q80.7Confident91Very high85 Ų8522.8 Ų22.840%0.39711%0.114SC..SBendtrans59.114.6-175.7-59-174.1-18.700114.2G566 P568Q14-G566 CarbonylContact C-O 3.55Å; Q14-G566 WeakPolarHBondContact CA-O 3.48Å; Q14-P568 HydrophobicContact CB-CG 4.04Å; Q14-P568 WeakPolarHBondContact O-CD 3.26Å
15E82.3Confident91.2Very high106 Ų10619.2 Ų19.250%0.49510%0.096SC..SBendtrans-151.8161-179.5-167.1171.2-16000108.9V13 S17 H565 G566V13-E15 PolarHBondContact O-N 2.96Å; V13-E15 VanDerWaalsContact O-N 3.07Å; E15-S17 PolarHBondContact O-N 3.07Å; E15-H565 PolarHBondContact O-ND1 3.48Å; E15-G566 PolarHBondContact N-O 3.02Å; E15-G566 PolarHBondContact O-N 3.32Å
16E82.2Confident91.1Very high18 Ų1821 Ų218%0.08411%0.105CC..SBendtrans-85.125.2175.3-66.6-172.3174.600112.1F203 T360 P361 R366 P567E16-F203 HydrophobicContact CB-CD2 4.22Å; E16-F203 HydrophobicContact CB-CE2 3.69Å; E16-F203 HydrophobicContact CG-CD2 3.73Å; E16-F203 HydrophobicContact CG-CE2 3.38Å; E16-F203 HydrophobicContact CG-CZ 4.48Å; E16-T360 VanDerWaalsContact O-CG2 3.25Å; E16-T360 WeakPolarHBondContact O-CG2 3.38Å; E16-P361 HydrophobicContact CB-CG 4.16Å; E16-R366 IonicContact OE1-NH2 3.86Å; E16-R366 PolarHBondContact OE1-NH2 3.45Å; E16-R366 IonicContact OE2-CZ 3.96Å; E16-R366 IonicContact OE2-NE 2.78Å; E16-R366 PolarHBondContact OE2-NE 3.36Å; E16-R366 IonicContact OE2-NH2 3.73Å; E16-R366 PolarHBondContact OE2-NH2 3.05Å; E16-P567 HydrophobicContact CG-CG 4Å; E16-P567 WeakPolarHBondContact OE1-CG 3.33Å
17S81.4Confident90.8Very high18 Ų1825.5 Ų25.513%0.12613%0.127CC..  trans-92.5174.8-174.8-169.10000113.3E15 H565E15-S17 PolarHBondContact O-N 3.07Å; S17-H565 PolarHBondContact O-CE1 3.49Å; S17-H565 PolarHBondContact O-ND1 2.95Å
18A87.9Confident90.7Very high1 Ų126 Ų261%0.00813%0.13CC..  trans-59.5149.5-174.300000114.4S11 G12 D37 L66S11-A18 WeakPolarHBondContact CB-O 3.36Å; S11-A18 PolarHBondContact OG-O 3.05Å; G12-A18 WeakPolarHBondContact CA-O 3.35Å; G12-A18 PolarHBondContact N-O 3.31Å; A18-D37 HydrophobicContact CB-CB 4.44Å; A18-L66 HydrophobicContact CB-CD2 4.16Å
19L92.6Very high90.7Very high2 Ų228 Ų281%0.0114%0.135CC..  trans-95.7128.5-168.6-57.7175.8000111.9Y21 D33 G35 L66 H67 V174 H565L19-Y21 HydrophobicContact CB-CE2 4.02Å; L19-Y21 HydrophobicContact CD2-CE2 3.96Å; L19-Y21 WeakPolarHBondContact CD2-OH 3.41Å; L19-Y21 HydrophobicContact CG-CE2 4.5Å; L19-D33 HydrophobicContact CB-CB 4.25Å; L19-D33 CarbonylContact O-C 3.55Å; L19-G35 PolarHBondContact O-N 3.24Å; L19-L66 PolarHBondContact N-O 2.8Å; L19-H67 VanDerWaalsContact CD1-CD2 3.47Å; L19-H67 WeakPolarHBondContact CD1-CD2 3.23Å; L19-H67 VanDerWaalsContact CD1-NE2 3.32Å; L19-H67 WeakPolarHBondContact CD1-NE2 3.34Å; L19-V174 HydrophobicContact CD1-CB 4.32Å; L19-V174 HydrophobicContact CD1-CG2 4.07Å; L19-H565 HydrophobicContact CD2-CB 3.59Å; L19-H565 WeakPolarHBondContact CD2-ND1 3.38Å
20C95.6Very high90.9Very high1 Ų128 Ų281%0.00714%0.135CC..EExtended strand (participates in β ladder)trans-157.1115.8171.1-167.20000110.4L10 S11 D33 I44L10-C20 HydrophobicContact CB-CB 4.32Å; L10-C20 WeakPolarHBondContact CB-O 3.41Å; L10-C20 PolarHBondContact N-O 3.45Å; L10-C20 VanDerWaalsContact N-O 3.09Å; S11-C20 PolarHBondContact N-O 3.26Å; S11-C20 VanDerWaalsContact N-O 3.16Å; S11-C20 VanDerWaalsContact OG-CB 3.25Å; S11-C20 WeakPolarHBondContact OG-CB 3.42Å; S11-C20 PolarHBondContact OG-N 3.42Å; S11-C20 VanDerWaalsContact OG-N 3.15Å; C20-D33 WeakPolarHBondContact CA-O 3.35Å; C20-D33 PolarHBondContact SG-O 3.11Å; C20-D33 VanDerWaalsContact SG-O 3.33Å; C20-I44 HydrophobicContact CB-CD1 3.93Å; C20-I44 HydrophobicContact CB-CG1 4.3Å
21Y96.7Very high91.1Very high0 Ų027.9 Ų27.90%013%0.134CC..EExtended strand (participates in β ladder)trans-130.8142.1-176.8-47.8-70.7000111.8T9 S11 G12 L19 L31 L32 Y172 V564T9-Y21 HydrophobicContact CG2-CD1 3.92Å; T9-Y21 HydrophobicContact CG2-CE1 4.04Å; S11-Y21 VanDerWaalsContact O-CE1 3.26Å; S11-Y21 WeakPolarHBondContact O-CE1 3.43Å; G12-Y21 PolarHBondContact O-OH 3.38Å; L19-Y21 HydrophobicContact CB-CE2 4.02Å; L19-Y21 HydrophobicContact CD2-CE2 3.96Å; L19-Y21 WeakPolarHBondContact CD2-OH 3.41Å; L19-Y21 HydrophobicContact CG-CE2 4.5Å; Y21-L31 CarbonylContact O-C 3.58Å; Y21-L31 WeakPolarHBondContact O-CA 3.47Å; Y21-L32 PolarHBondContact N-O 2.85Å; Y21-L32 PolarHBondContact O-N 3.25Å; Y21-Y172 AromaticContact CD2-CE2 3.78Å; Y21-Y172 HydrophobicContact CD2-CE2 3.78Å; Y21-Y172 HydrophobicContact CE2-CE2 4.06Å; Y21-V564 HydrophobicContact CD1-CG1 4.44Å; Y21-V564 HydrophobicContact CE1-CB 3.92Å; Y21-V564 HydrophobicContact CE1-CG1 3.94Å; Y21-V564 HydrophobicContact CE1-CG2 4.44Å; Y21-V564 HydrophobicContact CE2-CB 4.44Å; Y21-V564 HydrophobicContact CE2-CG2 4.07Å; Y21-V564 WeakPolarHBondContact OH-CB 3.23Å
22L97.2Very high91.4Very high4 Ų427.4 Ų27.42%0.02113%0.131CC..EExtended strand (participates in β ladder)trans-107.8105.5175.8-173.969.5000109.3L7 T8 L10 R29 L31 H51 I55L7-L22 WeakPolarHBondContact CA-O 3.37Å; T8-L22 PolarHBondContact N-O 3.33Å; T8-L22 PolarHBondContact O-N 3.28Å; L10-L22 HydrophobicContact CD1-CB 4.43Å; L10-L22 HydrophobicContact CG-CB 4.5Å; L22-R29 HydrophobicContact CD1-CB 4.12Å; L22-L31 HydrophobicContact CD1-CD1 4.48Å; L22-H51 HydrophobicContact CD2-CB 4.15Å; L22-I55 HydrophobicContact CD1-CG1 3.95Å
23L96.9Very high91.9Very high0 Ų027.2 Ų27.20%013%0.129CC..EExtended strand (participates in β ladder)trans-97.4115175.7176.169.2000109.6I5 L7 V25 F30 L32 I162 I170I5-L23 HydrophobicContact CG2-CD1 4.03Å; L7-L23 HydrophobicContact CD1-CB 3.94Å; L7-L23 HydrophobicContact CD1-CD1 4.2Å; L23-V25 HydrophobicContact CD2-CG2 4.23Å; L23-V25 HydrophobicContact CG-CG2 4.11Å; L23-F30 HydrophobicContact CB-CB 4.3Å; L23-F30 PolarHBondContact N-O 2.76Å; L23-F30 PolarHBondContact O-N 2.92Å; L23-L32 HydrophobicContact CB-CD1 3.76Å; L23-L32 HydrophobicContact CB-CG 4.07Å; L23-L32 HydrophobicContact CD2-CD1 4.08Å; L23-I162 HydrophobicContact CD2-CD1 3.66Å; L23-I170 HydrophobicContact CD2-CG2 4.11Å
24Q95.3Very high92.2Very high47 Ų4726.7 Ų26.722%0.2213%0.126CC..EExtended strand (participates in β ladder)trans-94.5126.4171.4179179.1-7.500109.5I5 K6 D26 F28 R29I5-Q24 WeakPolarHBondContact CA-O 3.45Å; K6-Q24 HydrophobicContact CB-CB 4.29Å; K6-Q24 PolarHBondContact N-O 3.25Å; K6-Q24 PolarHBondContact O-N 3.18Å; Q24-D26 VanDerWaalsContact CG-O 3.24Å; Q24-D26 WeakPolarHBondContact CG-O 3.43Å; Q24-D26 PolarHBondContact NE2-O 3.01Å; Q24-F28 WeakPolarHBondContact CA-O 3.37Å; Q24-R29 HydrophobicContact CB-CG 4.47Å; Q24-R29 HydrophobicContact CG-CG 4.4Å
25V93.3Very high92.8Very high1 Ų122.7 Ų22.71%0.00611%0.107CC..EExtended strand (participates in β ladder)trans-122.1108.3169.1-172.20000107.4I4 L23 E27 F28 F30 L144 I170I4-V25 CarbonylContact O-C 3.58Å; I4-V25 WeakPolarHBondContact O-CA 3.49Å; L23-V25 HydrophobicContact CD2-CG2 4.23Å; L23-V25 HydrophobicContact CG-CG2 4.11Å; V25-E27 PolarHBondContact O-N 3.01Å; V25-F28 PolarHBondContact N-O 3.45Å; V25-F28 WeakPolarHBondContact O-CB 3.42Å; V25-F28 PolarHBondContact O-N 3.33Å; V25-F30 HydrophobicContact CG2-CD2 4.3Å; V25-F30 HydrophobicContact CG2-CE2 4.25Å; V25-L144 HydrophobicContact CB-CD2 4.34Å; V25-L144 HydrophobicContact CG1-CD2 3.82Å; V25-I170 HydrophobicContact CG2-CD1 3.86Å
26D89.4Confident93.4Very high42 Ų4217.7 Ų17.723%0.2258%0.084CC..THydrogen-bonded Turntrans55.8-116.2-167.8-60.9-39.4000111.9S3 I4 Q24 K164S3-D26 WeakPolarHBondContact CA-OD1 3.27Å; S3-D26 WeakPolarHBondContact CB-OD1 3.39Å; S3-D26 PolarHBondContact OG-OD1 3.44Å; S3-D26 PolarHBondContact OG-OD2 3.04Å; I4-D26 PolarHBondContact N-OD1 3.01Å; I4-D26 PolarHBondContact O-N 3.47Å; Q24-D26 VanDerWaalsContact CG-O 3.24Å; Q24-D26 WeakPolarHBondContact CG-O 3.43Å; Q24-D26 PolarHBondContact NE2-O 3.01Å; D26-K164 IonicContact OD2-NZ 2.77Å
27E89.1Confident93.7Very high161 Ų16118 Ų1875%0.7529%0.086SC*.THydrogen-bonded Turntrans-94-10.6176.6-60.8-17216300112.7V25V25-E27 PolarHBondContact O-N 3.01Å
28F94.6Very high94Very high12 Ų1218.3 Ų18.35%0.0539%0.085CC..EExtended strand (participates in β ladder)trans-88.7134.9-175.6-166.2-87000111.2Q24 V25 F30 D56 A57 L137 K140 L144Q24-F28 WeakPolarHBondContact CA-O 3.37Å; V25-F28 PolarHBondContact N-O 3.45Å; V25-F28 WeakPolarHBondContact O-CB 3.42Å; V25-F28 PolarHBondContact O-N 3.33Å; F28-F30 HydrophobicContact CD1-CD1 4.31Å; F28-F30 AromaticContact CD1-CD2 3.8Å; F28-F30 HydrophobicContact CD1-CD2 3.8Å; F28-F30 HydrophobicContact CD1-CE1 4.06Å; F28-F30 AromaticContact CD1-CE2 3.5Å; F28-F30 HydrophobicContact CD1-CE2 3.5Å; F28-F30 HydrophobicContact CD1-CG 4.2Å; F28-F30 AromaticContact CD1-CZ 3.65Å; F28-F30 HydrophobicContact CD1-CZ 3.65Å; F28-F30 AromaticContact CE1-CD1 3.72Å; F28-F30 HydrophobicContact CE1-CD1 3.72Å; F28-F30 HydrophobicContact CE1-CD2 4.06Å; F28-F30 AromaticContact CE1-CE1 3.43Å; F28-F30 HydrophobicContact CE1-CE1 3.43Å; F28-F30 VanDerWaalsContact CE1-CE1 3.43Å; F28-F30 AromaticContact CE1-CE2 3.79Å; F28-F30 HydrophobicContact CE1-CE2 3.79Å; F28-F30 HydrophobicContact CE1-CG 4.03Å; F28-F30 AromaticContact CE1-CZ 3.46Å; F28-F30 HydrophobicContact CE1-CZ 3.46Å; F28-F30 VanDerWaalsContact CE1-CZ 3.46Å; F28-F30 HydrophobicContact CZ-CE1 4.36Å; F28-D56 HydrophobicContact CD1-CB 4.41Å; F28-D56 HydrophobicContact CD2-CB 3.75Å; F28-D56 HydrophobicContact CE1-CB 4.03Å; F28-D56 HydrophobicContact CE2-CB 3.35Å; F28-D56 HydrophobicContact CG-CB 4.29Å; F28-D56 HydrophobicContact CZ-CB 3.5Å; F28-D56 VanDerWaalsContact CZ-CB 3.5Å; F28-A57 HydrophobicContact CE1-CB 3.89Å; F28-A57 HydrophobicContact CZ-CB 3.73Å; F28-L137 HydrophobicContact CE1-CD1 3.87Å; F28-L137 HydrophobicContact CE2-CD1 4.44Å; F28-L137 HydrophobicContact CZ-CD1 3.77Å; F28-K140 HydrophobicContact CD2-CB 4.22Å; F28-L144 HydrophobicContact CB-CD1 3.77Å; F28-L144 HydrophobicContact CD1-CD1 3.88Å; F28-L144 HydrophobicContact CG-CD1 3.8Å
29R96.2Very high94Very high63 Ų6322.6 Ų22.624%0.23811%0.105CC..EExtended strand (participates in β ladder)trans-119.7116-178.2-52.6-167.6-171-165.37.5112.5L22 Q24 Q54 D56 A57L22-R29 HydrophobicContact CD1-CB 4.12Å; Q24-R29 HydrophobicContact CB-CG 4.47Å; Q24-R29 HydrophobicContact CG-CG 4.4Å; R29-Q54 WeakPolarHBondContact CB-O 3.46Å; R29-Q54 WeakPolarHBondContact CD-O 3.38Å; R29-D56 PolarHBondContact N-OD2 2.93Å; R29-D56 PolarHBondContact O-N 3.08Å; R29-A57 PolarHBondContact O-N 2.93Å
30F97.4Very high93.9Very high0 Ų023.2 Ų23.20%011%0.108CC..EExtended strand (participates in β ladder)trans-88.6129.2169.1-64.5-81.6000110.5L23 V25 F28 L32 A57 L59 L137 L144 I146 I162L23-F30 HydrophobicContact CB-CB 4.3Å; L23-F30 PolarHBondContact N-O 2.76Å; L23-F30 PolarHBondContact O-N 2.92Å; V25-F30 HydrophobicContact CG2-CD2 4.3Å; V25-F30 HydrophobicContact CG2-CE2 4.25Å; F28-F30 HydrophobicContact CD1-CD1 4.31Å; F28-F30 AromaticContact CD1-CD2 3.8Å; F28-F30 HydrophobicContact CD1-CD2 3.8Å; F28-F30 HydrophobicContact CD1-CE1 4.06Å; F28-F30 AromaticContact CD1-CE2 3.5Å; F28-F30 HydrophobicContact CD1-CE2 3.5Å; F28-F30 HydrophobicContact CD1-CG 4.2Å; F28-F30 AromaticContact CD1-CZ 3.65Å; F28-F30 HydrophobicContact CD1-CZ 3.65Å; F28-F30 AromaticContact CE1-CD1 3.72Å; F28-F30 HydrophobicContact CE1-CD1 3.72Å; F28-F30 HydrophobicContact CE1-CD2 4.06Å; F28-F30 AromaticContact CE1-CE1 3.43Å; F28-F30 HydrophobicContact CE1-CE1 3.43Å; F28-F30 VanDerWaalsContact CE1-CE1 3.43Å; F28-F30 AromaticContact CE1-CE2 3.79Å; F28-F30 HydrophobicContact CE1-CE2 3.79Å; F28-F30 HydrophobicContact CE1-CG 4.03Å; F28-F30 AromaticContact CE1-CZ 3.46Å; F28-F30 HydrophobicContact CE1-CZ 3.46Å; F28-F30 VanDerWaalsContact CE1-CZ 3.46Å; F28-F30 HydrophobicContact CZ-CE1 4.36Å; F30-L32 HydrophobicContact CB-CD2 4.13Å; F30-A57 CarbonylContact C-O 3.28Å; F30-A57 WeakPolarHBondContact CA-O 3.25Å; F30-A57 HydrophobicContact CD1-CB 4.1Å; F30-A57 HydrophobicContact CE1-CB 4.3Å; F30-L59 HydrophobicContact CD1-CD1 3.88Å; F30-L59 HydrophobicContact CD1-CD2 4.35Å; F30-L59 HydrophobicContact CD1-CG 3.95Å; F30-L59 HydrophobicContact CE1-CD1 4.28Å; F30-L59 HydrophobicContact CG-CD1 4.49Å; F30-L137 HydrophobicContact CE1-CD1 3.57Å; F30-L137 HydrophobicContact CZ-CD1 3.44Å; F30-L137 VanDerWaalsContact CZ-CD1 3.44Å; F30-L144 HydrophobicContact CE2-CD1 3.93Å; F30-L144 HydrophobicContact CZ-CD1 4.06Å; F30-I146 HydrophobicContact CE1-CG2 3.92Å; F30-I146 HydrophobicContact CZ-CG2 4.14Å; F30-I162 HydrophobicContact CD2-CD1 4.4Å; F30-I162 HydrophobicContact CE2-CG2 4Å; F30-I162 HydrophobicContact CZ-CG2 4.16Å
31L97.9Very high93.6Very high0 Ų024.9 Ų24.90%012%0.119CC..EExtended strand (participates in β ladder)trans-88.4109.7159.6-169.473000108L10 Y21 L22 C34 L48 I55 A57 V58 L59L10-L31 HydrophobicContact CD1-CD1 4.09Å; Y21-L31 CarbonylContact O-C 3.58Å; Y21-L31 WeakPolarHBondContact O-CA 3.47Å; L22-L31 HydrophobicContact CD1-CD1 4.48Å; L31-C34 HydrophobicContact CD2-CB 3.87Å; L31-L48 HydrophobicContact CD1-CD1 3.79Å; L31-L48 HydrophobicContact CD2-CD1 3.95Å; L31-I55 HydrophobicContact CB-CD1 4.17Å; L31-I55 HydrophobicContact CB-CG1 4.45Å; L31-I55 HydrophobicContact CB-CG2 3.83Å; L31-I55 HydrophobicContact CD1-CD1 3.95Å; L31-I55 HydrophobicContact CD2-CD1 4.06Å; L31-I55 HydrophobicContact CG-CD1 4.29Å; L31-A57 PolarHBondContact N-O 2.88Å; L31-V58 HydrophobicContact CB-CB 4.49Å; L31-V58 HydrophobicContact CB-CG1 4.49Å; L31-V58 HydrophobicContact CB-CG2 4.06Å; L31-V58 HydrophobicContact CD2-CG1 4.39Å; L31-V58 HydrophobicContact CD2-CG2 4.05Å; L31-V58 CarbonylContact O-C 3.56Å; L31-V58 WeakPolarHBondContact O-CA 3.34Å; L31-L59 PolarHBondContact O-N 2.99Å
32L97.8Very high93.2Very high0 Ų028.2 Ų28.20%014%0.135CC..EExtended strand (participates in β ladder)trans-89.6109175-51.4174.7000108L7 Y21 L23 F30 L59 I162 Y172 I199L7-L32 HydrophobicContact CD1-CD1 4.3Å; Y21-L32 PolarHBondContact N-O 2.85Å; Y21-L32 PolarHBondContact O-N 3.25Å; L23-L32 HydrophobicContact CB-CD1 3.76Å; L23-L32 HydrophobicContact CB-CG 4.07Å; L23-L32 HydrophobicContact CD2-CD1 4.08Å; F30-L32 HydrophobicContact CB-CD2 4.13Å; L32-L59 HydrophobicContact CD2-CB 4.13Å; L32-L59 HydrophobicContact CD2-CD1 3.77Å; L32-L59 HydrophobicContact CD2-CG 4.25Å; L32-I162 HydrophobicContact CD2-CD1 4.25Å; L32-Y172 HydrophobicContact CB-CD1 4.43Å; L32-Y172 HydrophobicContact CB-CD2 4.4Å; L32-Y172 HydrophobicContact CB-CE1 4.22Å; L32-Y172 HydrophobicContact CB-CE2 4.19Å; L32-Y172 HydrophobicContact CD1-CD2 3.69Å; L32-Y172 HydrophobicContact CD1-CE2 4.16Å; L32-Y172 HydrophobicContact CD1-CG 3.94Å; L32-I199 HydrophobicContact CD1-CD1 4.1Å
33D97.3Very high92.8Very high0 Ų033.8 Ų33.80%017%0.165CC..EExtended strand (participates in β ladder)trans56.1154.1-172.4-69-43000115.1L19 C20 L59 L60 S61 H67 Y172L19-D33 HydrophobicContact CB-CB 4.25Å; L19-D33 CarbonylContact O-C 3.55Å; C20-D33 WeakPolarHBondContact CA-O 3.35Å; C20-D33 PolarHBondContact SG-O 3.11Å; C20-D33 VanDerWaalsContact SG-O 3.33Å; D33-L59 PolarHBondContact N-O 2.89Å; D33-L60 WeakPolarHBondContact OD1-CA 3.43Å; D33-S61 PolarHBondContact OD1-N 3.45Å; D33-S61 PolarHBondContact OD1-OG 3.3Å; D33-S61 VanDerWaalsContact OD2-CB 3.28Å; D33-S61 WeakPolarHBondContact OD2-CB 3.19Å; D33-S61 PolarHBondContact OD2-OG 2.81Å; D33-H67 WeakPolarHBondContact CB-O 3.44Å; D33-H67 IonicContact OD2-CD2 3.23Å; D33-H67 PolarHBondContact OD2-CD2 2.91Å; D33-Y172 WeakPolarHBondContact OD2-CE1 3.49Å; D33-Y172 PolarHBondContact OD2-OH 3.5Å
34C93.7Very high92.3Very high0 Ų034.4 Ų34.40%017%0.168CC..EExtended strand (participates in β ladder)trans-144.662.5176.255.50000108.8L31 H67 L68 G69 A70 L71L31-C34 HydrophobicContact CD2-CB 3.87Å; C34-H67 CarbonylContact C-O 3.56Å; C34-H67 VanDerWaalsContact C-O 3.28Å; C34-H67 PolarHBondContact N-O 2.81Å; C34-L68 CarbonylContact O-C 3.5Å; C34-L68 VanDerWaalsContact O-C 3.26Å; C34-L68 WeakPolarHBondContact O-CA 3.49Å; C34-G69 PolarHBondContact O-N 3.21Å; C34-A70 WeakPolarHBondContact O-CA 3.5Å; C34-A70 WeakPolarHBondContact O-CB 3.39Å; C34-A70 PolarHBondContact O-N 2.62Å; C34-L71 VanDerWaalsContact SG-CB 3.6Å; C34-L71 VanDerWaalsContact SG-CD1 3.54Å
35G94.6Very high92.1Very high0 Ų032.2 Ų32.20%016%0.158CC..  trans-66.1165.2176.600000113.3L19 I44 P65 L66 H67 A70L19-G35 PolarHBondContact O-N 3.24Å; G35-I44 WeakPolarHBondContact O-CD1 3.43Å; G35-P65 CarbonylContact C-O 3.55Å; G35-P65 VanDerWaalsContact CA-O 3.29Å; G35-P65 WeakPolarHBondContact CA-O 3.26Å; G35-L66 VanDerWaalsContact CA-C 3.43Å; G35-L66 WeakPolarHBondContact CA-O 3.41Å; G35-H67 PolarHBondContact N-O 3.05Å; G35-A70 VanDerWaalsContact O-CB 3.3Å; G35-A70 WeakPolarHBondContact O-CB 3.32Å
36W93.9Very high92Very high2 Ų235.8 Ų35.81%0.00818%0.177CC..  trans-133.7143.3163.2-143.2-20.4000108.6F40 S41 M42 I44 I45 P65 A70 Y73 L113 F114W36-F40 HydrophobicContact CB-CD1 4.48Å; W36-F40 HydrophobicContact CD2-CB 4.38Å; 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 4.2Å; W36-F40 HydrophobicContact CD2-CG 4.36Å; W36-F40 AromaticContact CE2-CD1 3.8Å; W36-F40 AromaticContact CE3-CD1 3.53Å; W36-F40 HydrophobicContact CE3-CD1 3.53Å; W36-F40 AromaticContact CE3-CE1 3.98Å; W36-F40 HydrophobicContact CE3-CE1 3.98Å; W36-F40 AromaticContact CG-CD1 3.91Å; W36-F40 HydrophobicContact CG-CD1 3.91Å; W36-F40 HydrophobicContact CG-CE1 4.49Å; W36-F40 HydrophobicContact CH2-CD1 4.21Å; W36-F40 HydrophobicContact CZ2-CB 4.01Å; W36-F40 HydrophobicContact CZ2-CD1 4.16Å; W36-F40 AromaticContact CZ3-CD1 3.9Å; W36-F40 HydrophobicContact CZ3-CD1 3.9Å; W36-F40 HydrophobicContact CZ3-CE1 4.48Å; W36-F40 VanDerWaalsContact NE1-C 3.28Å; W36-F40 VanDerWaalsContact NE1-CA 3.34Å; W36-S41 PolarHBondContact NE1-O 3.22Å; W36-M42 HydrophobicContact CH2-CE 4.11Å; W36-M42 HydrophobicContact CZ2-CE 3.75Å; W36-M42 HydrophobicContact CZ2-SD 4.14Å; W36-I44 HydrophobicContact CG-CG2 4.44Å; W36-I45 HydrophobicContact CD2-CD1 4.32Å; W36-I45 HydrophobicContact CE3-CD1 4.49Å; W36-I45 HydrophobicContact CH2-CD1 4.09Å; W36-I45 HydrophobicContact CH2-CG1 4.02Å; W36-I45 HydrophobicContact CZ2-CD1 3.89Å; W36-I45 HydrophobicContact CZ2-CG1 3.49Å; W36-I45 VanDerWaalsContact CZ2-CG1 3.49Å; W36-I45 HydrophobicContact CZ3-CD1 4.38Å; W36-P65 PolarHBondContact N-O 2.82Å; W36-A70 HydrophobicContact CB-CB 4.12Å; W36-A70 HydrophobicContact CD2-CB 4.2Å; W36-A70 HydrophobicContact CE3-CB 4.12Å; W36-A70 HydrophobicContact CG-CB 4.24Å; W36-Y73 HydrophobicContact CH2-CD1 4.49Å; W36-Y73 AromaticContact CH2-CD2 3.84Å; W36-Y73 HydrophobicContact CH2-CD2 3.84Å; W36-Y73 HydrophobicContact CH2-CE2 4.35Å; W36-Y73 AromaticContact CH2-CG 3.92Å; W36-Y73 HydrophobicContact CH2-CG 3.92Å; W36-Y73 HydrophobicContact CZ3-CD2 4.03Å; W36-Y73 AromaticContact CZ3-CG 3.88Å; W36-Y73 HydrophobicContact CZ3-CG 3.88Å; W36-L113 HydrophobicContact CH2-CB 4.29Å; W36-L113 HydrophobicContact CH2-CD1 4Å; W36-L113 HydrophobicContact CZ2-CD1 4.32Å; W36-F114 HydrophobicContact CZ3-CD1 4.38Å
37D89.9Confident92Very high23 Ų2333.9 Ų33.912%0.12317%0.167CC..  trans-71.2160.3173.763.5-27.1000110.8A18 H39 F40 S41A18-D37 HydrophobicContact CB-CB 4.44Å; D37-H39 PolarHBondContact O-N 3.37Å; D37-H39 VanDerWaalsContact O-N 3.14Å; D37-F40 PolarHBondContact O-N 2.97Å; D37-F40 WeakPolarHBondContact OD1-CA 3.5Å; D37-F40 PolarHBondContact OD1-N 2.88Å; D37-S41 PolarHBondContact OD1-N 2.96Å; D37-S41 WeakPolarHBondContact OD2-CB 3.48Å; D37-S41 PolarHBondContact OD2-N 3.34Å
38E87.6Confident92.1Very high25 Ų2526.3 Ų26.312%0.11713%0.132CC..THydrogen-bonded Turntrans-60.7-27.7-174.7-66.285.915500111.7F40 R105 D332 T360 T363E38-F40 WeakPolarHBondContact O-CD2 3.29Å; E38-F40 WeakPolarHBondContact O-CE2 3.43Å; E38-R105 PolarHBondContact O-NH2 3.28Å; E38-D332 WeakPolarHBondContact CB-OD2 3.29Å; E38-D332 HydrophobicContact CG-CB 4.23Å; E38-D332 WeakPolarHBondContact CG-OD2 3.39Å; E38-T360 PolarHBondContact OE1-N 2.84Å; E38-T360 PolarHBondContact OE1-OG1 2.88Å; E38-T360 WeakPolarHBondContact OE2-CB 3.24Å; E38-T360 WeakPolarHBondContact OE2-CG2 3.3Å; E38-T360 PolarHBondContact OE2-OG1 2.8Å; E38-T363 HydrophobicContact CB-CG2 4.15Å; E38-T363 HydrophobicContact CG-CG2 4.44Å
39H86.5Confident92Very high91 Ų9131.8 Ų31.842%0.42115%0.152SC..THydrogen-bonded Turntrans-92.7-1.2178-63.5-58.6000114.4D37 E334 G362D37-H39 PolarHBondContact O-N 3.37Å; D37-H39 VanDerWaalsContact O-N 3.14Å; H39-E334 IonicContact CE1-OE1 3.05Å; H39-G362 PolarHBondContact NE2-O 3.18Å; H39-G362 VanDerWaalsContact NE2-O 3.16Å
40F90.1Very high91.7Very high16 Ų1635.7 Ų35.77%0.0717%0.171CC..  trans55.549.7179.5-58.5-91.9000114.2W36 D37 E38 M42 L101 F111 L113 F114W36-F40 HydrophobicContact CB-CD1 4.48Å; W36-F40 HydrophobicContact CD2-CB 4.38Å; 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 4.2Å; W36-F40 HydrophobicContact CD2-CG 4.36Å; W36-F40 AromaticContact CE2-CD1 3.8Å; W36-F40 AromaticContact CE3-CD1 3.53Å; W36-F40 HydrophobicContact CE3-CD1 3.53Å; W36-F40 AromaticContact CE3-CE1 3.98Å; W36-F40 HydrophobicContact CE3-CE1 3.98Å; W36-F40 AromaticContact CG-CD1 3.91Å; W36-F40 HydrophobicContact CG-CD1 3.91Å; W36-F40 HydrophobicContact CG-CE1 4.49Å; W36-F40 HydrophobicContact CH2-CD1 4.21Å; W36-F40 HydrophobicContact CZ2-CB 4.01Å; W36-F40 HydrophobicContact CZ2-CD1 4.16Å; W36-F40 AromaticContact CZ3-CD1 3.9Å; W36-F40 HydrophobicContact CZ3-CD1 3.9Å; W36-F40 HydrophobicContact CZ3-CE1 4.48Å; W36-F40 VanDerWaalsContact NE1-C 3.28Å; W36-F40 VanDerWaalsContact NE1-CA 3.34Å; D37-F40 PolarHBondContact O-N 2.97Å; D37-F40 WeakPolarHBondContact OD1-CA 3.5Å; D37-F40 PolarHBondContact OD1-N 2.88Å; E38-F40 WeakPolarHBondContact O-CD2 3.29Å; E38-F40 WeakPolarHBondContact O-CE2 3.43Å; F40-M42 PolarHBondContact O-N 2.94Å; F40-L101 HydrophobicContact CE1-CD2 4.33Å; F40-L101 HydrophobicContact CZ-CD1 4.03Å; F40-L101 HydrophobicContact CZ-CD2 3.83Å; F40-L101 HydrophobicContact CZ-CG 4.04Å; F40-F111 HydrophobicContact CD2-CE2 4.49Å; F40-F111 HydrophobicContact CE1-CE2 4.47Å; F40-F111 HydrophobicContact CE1-CZ 4.17Å; F40-F111 HydrophobicContact CE2-CE2 4.31Å; F40-F111 HydrophobicContact CZ-CE2 4.25Å; F40-F111 HydrophobicContact CZ-CZ 4.2Å; F40-L113 HydrophobicContact CB-CD1 3.43Å; F40-L113 VanDerWaalsContact CB-CD1 3.43Å; F40-L113 HydrophobicContact CD1-CD1 3.64Å; F40-L113 HydrophobicContact CD2-CD1 4.32Å; F40-L113 HydrophobicContact CG-CD1 3.51Å; F40-F114 AromaticContact CE1-CE1 3.97Å; F40-F114 HydrophobicContact CE1-CE1 3.97Å
41S89.4Confident91.4Very high36 Ų3637.7 Ų37.725%0.25218%0.18SC..  trans-56.4134.3174.3176.90000110.6W36 D37 D43 I44W36-S41 PolarHBondContact NE1-O 3.22Å; D37-S41 PolarHBondContact OD1-N 2.96Å; D37-S41 WeakPolarHBondContact OD2-CB 3.48Å; D37-S41 PolarHBondContact OD2-N 3.34Å; S41-D43 PolarHBondContact O-N 2.86Å; S41-D43 PolarHBondContact OG-N 2.72Å; S41-D43 PolarHBondContact OG-OD2 3.39Å; S41-I44 WeakPolarHBondContact O-CG2 3.13Å
42M89.8Confident91.2Very high69 Ų6937.9 Ų37.934%0.3418%0.182SC..Hα-helixtrans-78.1-8.8178-69.9-67.8157.100112.9W36 F40 I44 I45 D46 L113W36-M42 HydrophobicContact CH2-CE 4.11Å; W36-M42 HydrophobicContact CZ2-CE 3.75Å; W36-M42 HydrophobicContact CZ2-SD 4.14Å; F40-M42 PolarHBondContact O-N 2.94Å; M42-I44 VanDerWaalsContact C-N 3.29Å; M42-I44 PolarHBondContact O-N 2.92Å; M42-I45 WeakPolarHBondContact O-CB 3.14Å; M42-I45 PolarHBondContact O-N 3.45Å; M42-I45 VanDerWaalsContact O-N 3.08Å; M42-I45 HydrophobicContact SD-CB 4.28Å; M42-I45 HydrophobicContact SD-CG1 4.17Å; M42-I45 HydrophobicContact SD-CG2 4.49Å; M42-D46 PolarHBondContact O-N 2.85Å; M42-L113 HydrophobicContact CE-CD1 4.38Å; M42-L113 HydrophobicContact CE-CD2 3.53Å
43D87.8Confident90.9Very high121 Ų12145.6 Ų45.665%0.64722%0.217SC*.Hα-helixtrans-59.2-41.5-178.1-64.7-36.9000111.8S41 S47S41-D43 PolarHBondContact O-N 2.86Å; S41-D43 PolarHBondContact OG-N 2.72Å; S41-D43 PolarHBondContact OG-OD2 3.39Å; D43-S47 WeakPolarHBondContact O-CB 3.39Å; D43-S47 PolarHBondContact O-N 2.85Å
44I87.7Confident90.7Very high13 Ų1349.5 Ų49.57%0.06724%0.236CC..Hα-helixtrans-65.5-40.1176.2-169.8167.6000112S11 C20 G35 W36 S41 M42 S47 L48S11-I44 WeakPolarHBondContact OG-CD1 3.39Å; C20-I44 HydrophobicContact CB-CD1 3.93Å; C20-I44 HydrophobicContact CB-CG1 4.3Å; G35-I44 WeakPolarHBondContact O-CD1 3.43Å; W36-I44 HydrophobicContact CG-CG2 4.44Å; S41-I44 WeakPolarHBondContact O-CG2 3.13Å; M42-I44 VanDerWaalsContact C-N 3.29Å; M42-I44 PolarHBondContact O-N 2.92Å; I44-S47 PolarHBondContact O-N 2.85Å; I44-L48 VanDerWaalsContact O-CB 3.3Å; I44-L48 WeakPolarHBondContact O-CB 3.43Å; I44-L48 PolarHBondContact O-N 2.87Å
45I90.6Very high90.8Very high1 Ų149.9 Ų49.91%0.00524%0.238CC..Hα-helixtrans-68.5-43.7-179.5-61.3-53.5000110.7W36 M42 S47 L48 R49 A70 Y73 L78W36-I45 HydrophobicContact CD2-CD1 4.32Å; W36-I45 HydrophobicContact CE3-CD1 4.49Å; W36-I45 HydrophobicContact CH2-CD1 4.09Å; W36-I45 HydrophobicContact CH2-CG1 4.02Å; W36-I45 HydrophobicContact CZ2-CD1 3.89Å; W36-I45 HydrophobicContact CZ2-CG1 3.49Å; W36-I45 VanDerWaalsContact CZ2-CG1 3.49Å; W36-I45 HydrophobicContact CZ3-CD1 4.38Å; M42-I45 WeakPolarHBondContact O-CB 3.14Å; M42-I45 PolarHBondContact O-N 3.45Å; M42-I45 VanDerWaalsContact O-N 3.08Å; M42-I45 HydrophobicContact SD-CB 4.28Å; M42-I45 HydrophobicContact SD-CG1 4.17Å; M42-I45 HydrophobicContact SD-CG2 4.49Å; I45-S47 VanDerWaalsContact C-N 3.29Å; I45-S47 PolarHBondContact O-N 3.41Å; I45-L48 PolarHBondContact O-N 3.49Å; I45-R49 WeakPolarHBondContact O-CB 3.23Å; I45-R49 PolarHBondContact O-N 2.71Å; I45-A70 HydrophobicContact CD1-CB 4.03Å; I45-Y73 HydrophobicContact CB-CE1 4.49Å; I45-Y73 HydrophobicContact CD1-CD1 3.8Å; I45-Y73 HydrophobicContact CD1-CE1 4.3Å; I45-Y73 HydrophobicContact CD1-CG 4.43Å; I45-Y73 HydrophobicContact CG1-CD1 4.31Å; I45-Y73 HydrophobicContact CG1-CE1 4.35Å; I45-Y73 HydrophobicContact CG2-CD1 3.96Å; I45-Y73 HydrophobicContact CG2-CE1 3.35Å; I45-L78 HydrophobicContact CG2-CD1 4.29Å; I45-L78 HydrophobicContact CG2-CD2 4.32Å
46D90.8Very high90.9Very high76 Ų7651.9 Ų51.941%0.40625%0.248SC..Hα-helixtrans-67.3-32.1177.8-77.7-25.4000112M42 R49M42-D46 PolarHBondContact O-N 2.85Å; D46-R49 IonicContact OD1-NH1 3.47Å; D46-R49 PolarHBondContact OD1-NH1 3.22Å
47S89.7Confident91.1Very high2 Ų251.9 Ų51.91%0.01425%0.249CC..Hα-helixtrans-67.4-50.3170.7-164.40000111.4D43 I44 I45 R49 K50 H51 H594D43-S47 WeakPolarHBondContact O-CB 3.39Å; D43-S47 PolarHBondContact O-N 2.85Å; I44-S47 PolarHBondContact O-N 2.85Å; I45-S47 VanDerWaalsContact C-N 3.29Å; I45-S47 PolarHBondContact O-N 3.41Å; S47-R49 VanDerWaalsContact C-N 3.35Å; S47-R49 PolarHBondContact O-N 3.21Å; S47-K50 PolarHBondContact O-N 2.85Å; S47-H51 PolarHBondContact O-CD2 3.37Å; S47-H594 WeakPolarHBondContact CB-NE2 3.41Å; S47-H594 PolarHBondContact OG-CD2 3.05Å; S47-H594 PolarHBondContact OG-NE2 2.97Å
48L91.2Very high91.5Very high3 Ų350.8 Ų50.82%0.01624%0.243CC..Hα-helixtrans-63.5-37.2-179.3-172.565.8000112.6L10 L31 I44 I45 K50 H51 V52 I55 A74 L78L10-L48 HydrophobicContact CD1-CD1 4.02Å; L31-L48 HydrophobicContact CD1-CD1 3.79Å; L31-L48 HydrophobicContact CD2-CD1 3.95Å; I44-L48 VanDerWaalsContact O-CB 3.3Å; I44-L48 WeakPolarHBondContact O-CB 3.43Å; I44-L48 PolarHBondContact O-N 2.87Å; I45-L48 PolarHBondContact O-N 3.49Å; L48-K50 PolarHBondContact O-N 3.47Å; L48-K50 VanDerWaalsContact O-N 3.12Å; L48-H51 CarbonylContact O-C 3.53Å; L48-H51 PolarHBondContact O-N 3.48Å; L48-V52 PolarHBondContact O-N 3.36Å; L48-I55 HydrophobicContact CD1-CD1 4.02Å; L48-A74 HydrophobicContact CD2-CB 3.89Å; L48-L78 HydrophobicContact CD2-CD1 4.03Å; L48-L78 HydrophobicContact CG-CD1 4.32Å
49R92.1Very high92Very high126 Ų12649.6 Ų49.648%0.47524%0.237SC..Hα-helixtrans-54.5-33178.7-179-179-75.9160.5-4.2112.7I45 D46 S47 H51 L78I45-R49 WeakPolarHBondContact O-CB 3.23Å; I45-R49 PolarHBondContact O-N 2.71Å; D46-R49 IonicContact OD1-NH1 3.47Å; D46-R49 PolarHBondContact OD1-NH1 3.22Å; S47-R49 VanDerWaalsContact C-N 3.35Å; S47-R49 PolarHBondContact O-N 3.21Å; R49-H51 VanDerWaalsContact C-N 3.28Å; R49-H51 PolarHBondContact O-N 3.09Å; R49-L78 HydrophobicContact CB-CD2 4.36Å; R49-L78 HydrophobicContact CG-CD2 4.46Å
50K90.6Very high92.5Very high145 Ų14545.2 Ų45.263%0.6322%0.217SC*.THydrogen-bonded Turntrans-71.5-24.5178.7-61.8172.8-169.7166.40112.8S47 L48S47-K50 PolarHBondContact O-N 2.85Å; L48-K50 PolarHBondContact O-N 3.47Å; L48-K50 VanDerWaalsContact O-N 3.12Å
51H91.2Very high92.9Very high42 Ų4244.5 Ų44.519%0.19421%0.214CC..THydrogen-bonded Turntrans-109.5-14.3-172.3-64.2-65.4000113.7L22 S47 L48 R49 H53 Q54 I55L22-H51 HydrophobicContact CD2-CB 4.15Å; S47-H51 PolarHBondContact O-CD2 3.37Å; L48-H51 CarbonylContact O-C 3.53Å; L48-H51 PolarHBondContact O-N 3.48Å; R49-H51 VanDerWaalsContact C-N 3.28Å; R49-H51 PolarHBondContact O-N 3.09Å; H51-H53 VanDerWaalsContact C-N 3.25Å; H51-H53 PolarHBondContact O-N 3.03Å; H51-H53 VanDerWaalsContact O-N 3.07Å; H51-Q54 WeakPolarHBondContact O-CA 3.43Å; H51-Q54 WeakPolarHBondContact O-CB 3.36Å; H51-Q54 PolarHBondContact O-N 2.8Å; H51-I55 WeakPolarHBondContact O-CG1 3.35Å; H51-I55 PolarHBondContact O-N 3.45Å
52V92.9Very high93.3Very high5 Ų542.8 Ų42.83%0.0320%0.202CC..G310 helixtrans-48.5-41.6-174.371.90000114.2L48 Q54 L78 L80L48-V52 PolarHBondContact O-N 3.36Å; V52-Q54 VanDerWaalsContact C-N 3.27Å; V52-Q54 PolarHBondContact O-N 3.47Å; V52-L78 HydrophobicContact CG2-CB 4.13Å; V52-L80 HydrophobicContact CG2-CB 3.91Å; V52-L80 HydrophobicContact CG2-CD1 3.81Å; V52-L80 HydrophobicContact CG2-CG 4.48Å
53H91.8Very high93.6Very high161 Ų16139.5 Ų39.575%0.74519%0.186SC*.G310 helixtrans-76.4-10.9-178.9-54.7-57.3000114.5H51H51-H53 VanDerWaalsContact C-N 3.25Å; H51-H53 PolarHBondContact O-N 3.03Å; H51-H53 VanDerWaalsContact O-N 3.07Å
54Q93.4Very high94.1Very high83 Ų8334 Ų3439%0.38816%0.156SC..G310 helixtrans-103.1-5.4-175.9-59.3168.311.100111.8R29 H51 V52R29-Q54 WeakPolarHBondContact CB-O 3.46Å; R29-Q54 WeakPolarHBondContact CD-O 3.38Å; H51-Q54 WeakPolarHBondContact O-CA 3.43Å; H51-Q54 WeakPolarHBondContact O-CB 3.36Å; H51-Q54 PolarHBondContact O-N 2.8Å; V52-Q54 VanDerWaalsContact C-N 3.27Å; V52-Q54 PolarHBondContact O-N 3.47Å
55I96.2Very high94.5Very high8 Ų834.7 Ų34.74%0.04116%0.161CC..  trans-86.4126.5-175.5-64.4164.7000109.1L22 L31 L48 H51 V58 L80L22-I55 HydrophobicContact CD1-CG1 3.95Å; L31-I55 HydrophobicContact CB-CD1 4.17Å; L31-I55 HydrophobicContact CB-CG1 4.45Å; L31-I55 HydrophobicContact CB-CG2 3.83Å; L31-I55 HydrophobicContact CD1-CD1 3.95Å; L31-I55 HydrophobicContact CD2-CD1 4.06Å; L31-I55 HydrophobicContact CG-CD1 4.29Å; L48-I55 HydrophobicContact CD1-CD1 4.02Å; H51-I55 WeakPolarHBondContact O-CG1 3.35Å; H51-I55 PolarHBondContact O-N 3.45Å; I55-V58 HydrophobicContact CG2-CG2 4.28Å; I55-L80 HydrophobicContact CB-CD1 4.1Å; I55-L80 HydrophobicContact CD1-CD1 4.15Å; I55-L80 HydrophobicContact CG2-CD1 4.18Å
56D96Very high94.7Very high41 Ų4135.6 Ų35.622%0.21917%0.166CC..  trans-101.2-28-178.9-56.8-72000112.4F28 R29 C82 K140F28-D56 HydrophobicContact CD1-CB 4.41Å; F28-D56 HydrophobicContact CD2-CB 3.75Å; F28-D56 HydrophobicContact CE1-CB 4.03Å; F28-D56 HydrophobicContact CE2-CB 3.35Å; F28-D56 HydrophobicContact CG-CB 4.29Å; F28-D56 HydrophobicContact CZ-CB 3.5Å; F28-D56 VanDerWaalsContact CZ-CB 3.5Å; R29-D56 PolarHBondContact N-OD2 2.93Å; R29-D56 PolarHBondContact O-N 3.08Å; D56-C82 WeakPolarHBondContact O-CB 3.45Å; D56-K140 IonicContact OD1-NZ 2.82Å
57A96.9Very high94.9Very high2 Ų232 Ų322%0.01715%0.147CC..EExtended strand (participates in β ladder)trans-150.8151.6173.200000112.4F28 R29 F30 L31 A83 Y85F28-A57 HydrophobicContact CE1-CB 3.89Å; F28-A57 HydrophobicContact CZ-CB 3.73Å; R29-A57 PolarHBondContact O-N 2.93Å; F30-A57 CarbonylContact C-O 3.28Å; F30-A57 WeakPolarHBondContact CA-O 3.25Å; F30-A57 HydrophobicContact CD1-CB 4.1Å; F30-A57 HydrophobicContact CE1-CB 4.3Å; L31-A57 PolarHBondContact N-O 2.88Å; A57-A83 VanDerWaalsContact CA-O 3.31Å; A57-A83 WeakPolarHBondContact CA-O 3.49Å; A57-Y85 HydrophobicContact CB-CD2 4.29Å; A57-Y85 HydrophobicContact CB-CE2 4.01Å
58V98.2Very high95.3Very high0 Ų031.9 Ų31.90%015%0.146CC..EExtended strand (participates in β ladder)trans-112.3134.3172.4-178.90000109.1L31 I55 L60 L80 A83 I84 Y85L31-V58 HydrophobicContact CB-CB 4.49Å; L31-V58 HydrophobicContact CB-CG1 4.49Å; L31-V58 HydrophobicContact CB-CG2 4.06Å; L31-V58 HydrophobicContact CD2-CG1 4.39Å; L31-V58 HydrophobicContact CD2-CG2 4.05Å; L31-V58 CarbonylContact O-C 3.56Å; L31-V58 WeakPolarHBondContact O-CA 3.34Å; I55-V58 HydrophobicContact CG2-CG2 4.28Å; V58-L60 HydrophobicContact CG1-CD2 3.84Å; V58-L60 HydrophobicContact CG1-CG 4.28Å; V58-L80 HydrophobicContact CG2-CD2 3.82Å; V58-A83 PolarHBondContact N-O 3.16Å; V58-I84 HydrophobicContact CB-CB 4.31Å; V58-I84 HydrophobicContact CB-CG1 4.01Å; V58-I84 HydrophobicContact CB-CG2 4.09Å; V58-I84 HydrophobicContact CG1-CG2 4.19Å; V58-I84 HydrophobicContact CG2-CG1 4.15Å; V58-Y85 PolarHBondContact O-N 2.91Å
59L98.4Very high95.5Very high0 Ų031.7 Ų31.70%015%0.145CC..EExtended strand (participates in β ladder)trans-113.5117.9172.2-56.8-174.7000108.5F30 L31 L32 D33 Y85 I146 W160 I162F30-L59 HydrophobicContact CD1-CD1 3.88Å; F30-L59 HydrophobicContact CD1-CD2 4.35Å; F30-L59 HydrophobicContact CD1-CG 3.95Å; F30-L59 HydrophobicContact CE1-CD1 4.28Å; F30-L59 HydrophobicContact CG-CD1 4.49Å; L31-L59 PolarHBondContact O-N 2.99Å; L32-L59 HydrophobicContact CD2-CB 4.13Å; L32-L59 HydrophobicContact CD2-CD1 3.77Å; L32-L59 HydrophobicContact CD2-CG 4.25Å; D33-L59 PolarHBondContact N-O 2.89Å; L59-Y85 HydrophobicContact CD2-CD2 3.88Å; L59-Y85 HydrophobicContact CD2-CG 4.19Å; L59-I146 HydrophobicContact CD1-CG2 4.42Å; L59-I146 HydrophobicContact CD2-CD1 3.82Å; 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 4.28Å; L59-W160 HydrophobicContact CD1-CB 4.22Å; L59-W160 HydrophobicContact CD1-CD2 4.02Å; L59-W160 HydrophobicContact CD1-CE3 4.16Å; L59-W160 HydrophobicContact CD1-CG 4.06Å; L59-W160 HydrophobicContact CD2-CD2 4.34Å; L59-W160 HydrophobicContact CD2-CE3 4.15Å; L59-W160 HydrophobicContact CD2-CH2 4.21Å; L59-W160 HydrophobicContact CD2-CZ2 4.41Å; L59-W160 HydrophobicContact CD2-CZ3 4.09Å; L59-W160 HydrophobicContact CG-CD2 4.36Å; L59-I162 HydrophobicContact CD1-CD1 3.82Å; L59-I162 HydrophobicContact CD1-CG1 4.15Å
60L98.5Very high95.7Very high0 Ų025.8 Ų25.80%012%0.123CC..  trans-98.4132.6176.7-59.2177.8000110.5D33 V58 L68 L71 I84 Y85 A86 V90 I126 T158 W160D33-L60 WeakPolarHBondContact OD1-CA 3.43Å; V58-L60 HydrophobicContact CG1-CD2 3.84Å; V58-L60 HydrophobicContact CG1-CG 4.28Å; L60-L68 HydrophobicContact CD1-CB 4.22Å; L60-L68 HydrophobicContact CD1-CD2 4.4Å; L60-L68 HydrophobicContact CD2-CB 4.01Å; L60-L71 HydrophobicContact CD1-CD2 3.82Å; L60-I84 HydrophobicContact CD1-CG2 3.82Å; L60-I84 HydrophobicContact CG-CG2 4.02Å; L60-Y85 PolarHBondContact N-O 3.5Å; L60-A86 HydrophobicContact CB-CB 4.04Å; L60-A86 HydrophobicContact CD1-CB 4.2Å; L60-V90 HydrophobicContact CB-CG1 4.11Å; L60-I126 HydrophobicContact CD1-CD1 4.02Å; L60-T158 PolarHBondContact O-OG1 2.54Å; L60-W160 WeakPolarHBondContact O-CZ2 3.38Å; L60-W160 PolarHBondContact O-NE1 2.93Å
61S97.4Very high96Very high0 Ų018.9 Ų18.90%09%0.093CC..  trans-92.9-51.6-176.666.10000113.3D33 H67 G157 T158D33-S61 PolarHBondContact OD1-N 3.45Å; D33-S61 PolarHBondContact OD1-OG 3.3Å; D33-S61 VanDerWaalsContact OD2-CB 3.28Å; D33-S61 WeakPolarHBondContact OD2-CB 3.19Å; D33-S61 PolarHBondContact OD2-OG 2.81Å; S61-H67 PolarHBondContact OG-CD2 3.41Å; S61-G157 CarbonylContact O-C 3.4Å; S61-G157 WeakPolarHBondContact O-CA 3.24Å; S61-T158 VanDerWaalsContact CA-OG1 3.29Å; S61-T158 WeakPolarHBondContact CA-OG1 3.45Å; S61-T158 PolarHBondContact O-N 3.21Å; S61-T158 PolarHBondContact O-OG1 2.69Å; S61-T158 VanDerWaalsContact O-OG1 3.08Å
62H97.6Very high96.2Very high0 Ų016.9 Ų16.90%08%0.084CC..  trans-130.3157.5-173.2-63.497.5000112.4D64 H67 L68 H153 V174H62-D64 VanDerWaalsContact C-N 3.33Å; H62-D64 VanDerWaalsContact CB-OD1 3.27Å; H62-D64 WeakPolarHBondContact CB-OD1 3.29Å; H62-D64 PolarHBondContact O-N 3.34Å; H62-H67 HydrophobicContact CB-CB 4.16Å; H62-H67 AromaticContact CG-NE2 3.97Å; H62-H67 AromaticContact ND1-CD2 3.62Å; H62-H67 AromaticContact ND1-CE1 3.68Å; H62-H67 AromaticContact ND1-NE2 3.24Å; H62-H67 PolarHBondContact ND1-NE2 3.43Å; H62-L68 WeakPolarHBondContact O-CD2 3.46Å; H62-H153 AromaticContact CD2-CD2 3.77Å; H62-H153 AromaticContact NE2-CD2 3.96Å; H62-V174 PolarHBondContact CE1-O 3.1Å
63P97.5Very high96.4Very high0 Ų018.2 Ų18.20%09%0.089CC..SBendtrans-78.3-5.7-174.129.1-33.3000115.4M93 G94 F97 M154P63-M93 HydrophobicContact CB-CB 3.9Å; P63-M93 HydrophobicContact CG-CB 4.38Å; P63-G94 VanDerWaalsContact O-CA 3.24Å; P63-G94 WeakPolarHBondContact O-CA 3.36Å; P63-F97 HydrophobicContact CB-CD2 4.03Å; P63-F97 HydrophobicContact CB-CE2 4.05Å; P63-F97 HydrophobicContact CG-CE2 4.06Å; P63-F97 WeakPolarHBondContact O-CD2 3.39Å; P63-F97 WeakPolarHBondContact O-CG 3.33Å; P63-M154 HydrophobicContact CG-CB 4.04Å; P63-M154 HydrophobicContact CG-SD 3.89Å
64D96.5Very high96.5Very high6 Ų610.6 Ų10.63%0.0325%0.054CC..SBendtrans-89.3162.5-170.564-44.9000113.4H62 L66 H67 L68 F97 M154H62-D64 VanDerWaalsContact C-N 3.33Å; H62-D64 VanDerWaalsContact CB-OD1 3.27Å; H62-D64 WeakPolarHBondContact CB-OD1 3.29Å; H62-D64 PolarHBondContact O-N 3.34Å; D64-L66 PolarHBondContact O-N 3.41Å; D64-L66 VanDerWaalsContact O-N 3.12Å; D64-H67 VanDerWaalsContact CG-ND1 3.33Å; D64-H67 PolarHBondContact O-N 3.27Å; D64-H67 IonicContact OD1-CE1 3.67Å; D64-H67 IonicContact OD1-CG 3.37Å; D64-H67 IonicContact OD1-ND1 2.77Å; D64-H67 PolarHBondContact OD1-ND1 2.79Å; D64-H67 IonicContact OD2-CE1 2.68Å; D64-H67 IonicContact OD2-ND1 2.86Å; D64-H67 PolarHBondContact OD2-ND1 2.89Å; D64-L68 PolarHBondContact O-N 3.17Å; D64-L68 VanDerWaalsContact O-N 3.08Å; D64-F97 HydrophobicContact CB-CE1 4.14Å; D64-F97 HydrophobicContact CB-CE2 4.48Å; D64-F97 HydrophobicContact CB-CZ 4.1Å; D64-M154 HydrophobicContact CB-CE 3.84Å; D64-M154 HydrophobicContact CB-SD 3.99Å
65P96.1Very high96.6Very high27 Ų277 Ų718%0.1754%0.037CC..Hα-helixtrans-59.3-27.4-176.5-26.736.7000114.5G35 W36 H67 G69 F97 L101G35-P65 CarbonylContact C-O 3.55Å; G35-P65 VanDerWaalsContact CA-O 3.29Å; G35-P65 WeakPolarHBondContact CA-O 3.26Å; W36-P65 PolarHBondContact N-O 2.82Å; P65-H67 PolarHBondContact O-N 3.34Å; P65-G69 WeakPolarHBondContact O-CA 3.2Å; P65-G69 PolarHBondContact O-N 2.87Å; P65-F97 HydrophobicContact CG-CD1 4.34Å; P65-L101 HydrophobicContact CB-CD2 4.01Å; P65-L101 HydrophobicContact CG-CD2 3.88Å
66L94.9Very high96.3Very high20 Ų208.4 Ų8.411%0.1055%0.053CC..Hα-helixtrans-68.3-14.3178.2-62176.3000113.7A18 L19 G35 D64 T360A18-L66 HydrophobicContact CB-CD2 4.16Å; L19-L66 PolarHBondContact N-O 2.8Å; G35-L66 VanDerWaalsContact CA-C 3.43Å; G35-L66 WeakPolarHBondContact CA-O 3.41Å; D64-L66 PolarHBondContact O-N 3.41Å; D64-L66 VanDerWaalsContact O-N 3.12Å; L66-T360 HydrophobicContact CD2-CG2 4.45Å
67H96.8Very high96.1Very high0 Ų011.3 Ų11.30%06%0.064CC..Hα-helixtrans-116-29.1179.7-6389.1000113.1L19 D33 C34 G35 S61 H62 D64 P65 D175L19-H67 VanDerWaalsContact CD1-CD2 3.47Å; L19-H67 WeakPolarHBondContact CD1-CD2 3.23Å; L19-H67 VanDerWaalsContact CD1-NE2 3.32Å; L19-H67 WeakPolarHBondContact CD1-NE2 3.34Å; D33-H67 WeakPolarHBondContact CB-O 3.44Å; D33-H67 IonicContact OD2-CD2 3.23Å; D33-H67 PolarHBondContact OD2-CD2 2.91Å; C34-H67 CarbonylContact C-O 3.56Å; C34-H67 VanDerWaalsContact C-O 3.28Å; C34-H67 PolarHBondContact N-O 2.81Å; G35-H67 PolarHBondContact N-O 3.05Å; S61-H67 PolarHBondContact OG-CD2 3.41Å; H62-H67 HydrophobicContact CB-CB 4.16Å; H62-H67 AromaticContact CG-NE2 3.97Å; H62-H67 AromaticContact ND1-CD2 3.62Å; H62-H67 AromaticContact ND1-CE1 3.68Å; H62-H67 AromaticContact ND1-NE2 3.24Å; H62-H67 PolarHBondContact ND1-NE2 3.43Å; D64-H67 VanDerWaalsContact CG-ND1 3.33Å; D64-H67 PolarHBondContact O-N 3.27Å; D64-H67 IonicContact OD1-CE1 3.67Å; D64-H67 IonicContact OD1-CG 3.37Å; D64-H67 IonicContact OD1-ND1 2.77Å; D64-H67 PolarHBondContact OD1-ND1 2.79Å; D64-H67 IonicContact OD2-CE1 2.68Å; D64-H67 IonicContact OD2-ND1 2.86Å; D64-H67 PolarHBondContact OD2-ND1 2.89Å; P65-H67 PolarHBondContact O-N 3.34Å; H67-D175 IonicContact CE1-OD2 2.88Å; H67-D175 PolarHBondContact CE1-OD2 3.14Å; H67-D175 IonicContact NE2-OD2 3.97Å; H67-D175 PolarHBondContact NE2-OD2 3.43Å
68L96.7Very high95.9Very high0 Ų012.3 Ų12.30%07%0.069CC..Hα-helixtrans-132.76.5-178.462.270.5000115.9C34 L60 H62 D64 A70 L71 V90 M98 F123C34-L68 CarbonylContact O-C 3.5Å; C34-L68 VanDerWaalsContact O-C 3.26Å; C34-L68 WeakPolarHBondContact O-CA 3.49Å; L60-L68 HydrophobicContact CD1-CB 4.22Å; L60-L68 HydrophobicContact CD1-CD2 4.4Å; L60-L68 HydrophobicContact CD2-CB 4.01Å; H62-L68 WeakPolarHBondContact O-CD2 3.46Å; D64-L68 PolarHBondContact O-N 3.17Å; D64-L68 VanDerWaalsContact O-N 3.08Å; L68-A70 VanDerWaalsContact C-N 3.32Å; L68-A70 PolarHBondContact O-N 2.84Å; L68-L71 WeakPolarHBondContact O-CB 3.48Å; L68-L71 PolarHBondContact O-N 2.76Å; L68-L71 VanDerWaalsContact O-N 3.08Å; L68-V90 HydrophobicContact CD2-CG1 4.12Å; L68-M98 HydrophobicContact CD1-CG 3.83Å; L68-M98 HydrophobicContact CD1-SD 3.72Å; L68-F123 HydrophobicContact CD1-CZ 4.08Å; L68-F123 HydrophobicContact CD2-CZ 4.21Å
69G95.9Very high95.5Very high0 Ų014.4 Ų14.40%09%0.091CC..THydrogen-bonded Turntrans-64.3-28.6-17200000115.3C34 P65 L71 M98C34-G69 PolarHBondContact O-N 3.21Å; P65-G69 WeakPolarHBondContact O-CA 3.2Å; P65-G69 PolarHBondContact O-N 2.87Å; G69-L71 VanDerWaalsContact C-N 3.33Å; G69-M98 VanDerWaalsContact O-CE 3.27Å; G69-M98 WeakPolarHBondContact O-CE 3.02Å
70A96.3Very high95.3Very high1 Ų114.6 Ų14.61%0.0089%0.092CC..THydrogen-bonded Turntrans-86-7.3177.700000112.6C34 G35 W36 I45 L68 Y73 A74C34-A70 WeakPolarHBondContact O-CA 3.5Å; C34-A70 WeakPolarHBondContact O-CB 3.39Å; C34-A70 PolarHBondContact O-N 2.62Å; G35-A70 VanDerWaalsContact O-CB 3.3Å; G35-A70 WeakPolarHBondContact O-CB 3.32Å; W36-A70 HydrophobicContact CB-CB 4.12Å; W36-A70 HydrophobicContact CD2-CB 4.2Å; W36-A70 HydrophobicContact CE3-CB 4.12Å; W36-A70 HydrophobicContact CG-CB 4.24Å; I45-A70 HydrophobicContact CD1-CB 4.03Å; L68-A70 VanDerWaalsContact C-N 3.32Å; L68-A70 PolarHBondContact O-N 2.84Å; A70-Y73 PolarHBondContact O-N 2.82Å; A70-A74 WeakPolarHBondContact O-CB 3.08Å; A70-A74 PolarHBondContact O-N 2.77Å
71L96.5Very high94.9Very high0 Ų020.8 Ų20.80%013%0.125CC..Hα-helixtrans-60-47.2-175.7-170.769.3000113.5C34 L60 L68 G69 Y73 A74 V75 I84 A122 I126C34-L71 VanDerWaalsContact SG-CB 3.6Å; C34-L71 VanDerWaalsContact SG-CD1 3.54Å; L60-L71 HydrophobicContact CD1-CD2 3.82Å; L68-L71 WeakPolarHBondContact O-CB 3.48Å; L68-L71 PolarHBondContact O-N 2.76Å; L68-L71 VanDerWaalsContact O-N 3.08Å; G69-L71 VanDerWaalsContact C-N 3.33Å; L71-Y73 VanDerWaalsContact C-N 3.26Å; L71-Y73 PolarHBondContact O-N 3.27Å; L71-A74 PolarHBondContact O-N 3.45Å; L71-V75 HydrophobicContact CD1-CG2 4.13Å; L71-V75 HydrophobicContact CG-CG2 4.37Å; L71-V75 WeakPolarHBondContact O-CG2 3.38Å; L71-V75 PolarHBondContact O-N 2.79Å; L71-I84 HydrophobicContact CD1-CD1 3.9Å; L71-I84 HydrophobicContact CD1-CG1 4.48Å; L71-I84 HydrophobicContact CD2-CD1 4.42Å; L71-A122 HydrophobicContact CD2-CB 4.44Å; L71-A122 HydrophobicContact CG-CB 4.18Å; L71-I126 HydrophobicContact CD2-CD1 4.08Å
72P96.4Very high94.8Very high0 Ų021.7 Ų21.70%013%0.131CC..Hα-helixtrans-59.1-39.4177.6-26.638.8000112.5G76 M98 F114 D118 V119P72-G76 PolarHBondContact O-N 2.95Å; P72-M98 HydrophobicContact CG-CE 3.66Å; P72-M98 HydrophobicContact CG-CG 4.3Å; P72-F114 HydrophobicContact CB-CB 4.14Å; P72-F114 HydrophobicContact CB-CD2 4.07Å; P72-F114 HydrophobicContact CB-CG 4.08Å; P72-D118 HydrophobicContact CB-CB 4.33Å; P72-V119 HydrophobicContact CB-CG2 4.11Å; P72-V119 HydrophobicContact CG-CG2 3.99Å
73Y95.8Very high94.7Very high34 Ų3423 Ų2313%0.13314%0.141CC..Hα-helixtrans-69.4-42.5176.8-168.7-85.4000112W36 I45 A70 L71 V75 K77 L78 L113W36-Y73 HydrophobicContact CH2-CD1 4.49Å; W36-Y73 AromaticContact CH2-CD2 3.84Å; W36-Y73 HydrophobicContact CH2-CD2 3.84Å; W36-Y73 HydrophobicContact CH2-CE2 4.35Å; W36-Y73 AromaticContact CH2-CG 3.92Å; W36-Y73 HydrophobicContact CH2-CG 3.92Å; W36-Y73 HydrophobicContact CZ3-CD2 4.03Å; W36-Y73 AromaticContact CZ3-CG 3.88Å; W36-Y73 HydrophobicContact CZ3-CG 3.88Å; I45-Y73 HydrophobicContact CB-CE1 4.49Å; I45-Y73 HydrophobicContact CD1-CD1 3.8Å; I45-Y73 HydrophobicContact CD1-CE1 4.3Å; I45-Y73 HydrophobicContact CD1-CG 4.43Å; I45-Y73 HydrophobicContact CG1-CD1 4.31Å; I45-Y73 HydrophobicContact CG1-CE1 4.35Å; I45-Y73 HydrophobicContact CG2-CD1 3.96Å; I45-Y73 HydrophobicContact CG2-CE1 3.35Å; A70-Y73 PolarHBondContact O-N 2.82Å; L71-Y73 VanDerWaalsContact C-N 3.26Å; L71-Y73 PolarHBondContact O-N 3.27Å; Y73-V75 PolarHBondContact O-N 2.86Å; Y73-K77 HydrophobicContact CD1-CB 4.34Å; Y73-K77 HydrophobicContact CD2-CB 4.36Å; Y73-K77 HydrophobicContact CD2-CG 3.93Å; Y73-K77 HydrophobicContact CE1-CB 4.16Å; Y73-K77 HydrophobicContact CE2-CB 4.2Å; Y73-K77 HydrophobicContact CE2-CG 3.91Å; Y73-K77 HydrophobicContact CG-CB 4.43Å; Y73-K77 HydrophobicContact CG-CG 4.36Å; Y73-K77 WeakPolarHBondContact O-CA 3.35Å; Y73-K77 WeakPolarHBondContact O-CB 3.37Å; Y73-K77 PolarHBondContact O-N 3.45Å; Y73-L78 HydrophobicContact CD1-CD1 4.32Å; Y73-L78 HydrophobicContact CD1-CG 4.05Å; Y73-L78 HydrophobicContact CE1-CD1 4.48Å; Y73-L78 HydrophobicContact CE1-CD2 3.99Å; Y73-L78 HydrophobicContact CE1-CG 4.01Å; Y73-L78 PolarHBondContact O-N 3.34Å; Y73-L78 VanDerWaalsContact O-N 3.14Å; Y73-L113 WeakPolarHBondContact CD2-O 3.16Å; Y73-L113 WeakPolarHBondContact CE2-O 3.39Å
74A95.1Very high94.7Very high1 Ų123 Ų231%0.00814%0.142CC..Hα-helixtrans-63.9-40.8179.200000112.1L48 A70 L71 L78 G79 L80L48-A74 HydrophobicContact CD2-CB 3.89Å; A70-A74 WeakPolarHBondContact O-CB 3.08Å; A70-A74 PolarHBondContact O-N 2.77Å; L71-A74 PolarHBondContact O-N 3.45Å; A74-L78 HydrophobicContact CB-CD1 4.35Å; A74-L78 CarbonylContact O-C 3.59Å; A74-L78 WeakPolarHBondContact O-CB 3.3Å; A74-L78 PolarHBondContact O-N 3.5Å; A74-G79 PolarHBondContact O-N 3.27Å; A74-G79 VanDerWaalsContact O-N 3.13Å; A74-L80 HydrophobicContact CB-CB 4.49Å; A74-L80 HydrophobicContact CB-CD2 4.29Å; A74-L80 WeakPolarHBondContact O-CB 3.38Å; A74-L80 PolarHBondContact O-N 3.31Å
75V94.7Very high94.8Very high8 Ų823.7 Ų23.75%0.04814%0.144CC..Hα-helixtrans-76.5-51.9178.3178.30000111.4L71 Y73 L80 I84 A122 K125L71-V75 HydrophobicContact CD1-CG2 4.13Å; L71-V75 HydrophobicContact CG-CG2 4.37Å; L71-V75 WeakPolarHBondContact O-CG2 3.38Å; L71-V75 PolarHBondContact O-N 2.79Å; Y73-V75 PolarHBondContact O-N 2.86Å; V75-L80 HydrophobicContact CG2-CB 4.41Å; V75-L80 HydrophobicContact CG2-CD2 4.49Å; V75-I84 HydrophobicContact CG2-CD1 4.2Å; V75-A122 HydrophobicContact CB-CB 3.94Å; V75-A122 HydrophobicContact CG1-CB 4.39Å; V75-A122 HydrophobicContact CG2-CB 3.94Å; V75-K125 HydrophobicContact CG1-CD 3.97Å
76G90.4Very high94.9Very high36 Ų3622.4 Ų22.437%0.37114%0.136SC..Hα-helixtrans-74.4-36.5-172.800000114.3P72P72-G76 PolarHBondContact O-N 2.95Å
77K91.6Very high95.1Very high103 Ų10321.5 Ų21.545%0.44813%0.131SC..THydrogen-bonded Turntrans-110.2-38.7-174-51.1-57-177.9-132.80113.8Y73 D118Y73-K77 HydrophobicContact CD1-CB 4.34Å; Y73-K77 HydrophobicContact CD2-CB 4.36Å; Y73-K77 HydrophobicContact CD2-CG 3.93Å; Y73-K77 HydrophobicContact CE1-CB 4.16Å; Y73-K77 HydrophobicContact CE2-CB 4.2Å; Y73-K77 HydrophobicContact CE2-CG 3.91Å; Y73-K77 HydrophobicContact CG-CB 4.43Å; Y73-K77 HydrophobicContact CG-CG 4.36Å; Y73-K77 WeakPolarHBondContact O-CA 3.35Å; Y73-K77 WeakPolarHBondContact O-CB 3.37Å; Y73-K77 PolarHBondContact O-N 3.45Å; K77-D118 IonicContact NZ-OD1 3Å; K77-D118 PolarHBondContact NZ-OD1 3.21Å; K77-D118 IonicContact NZ-OD2 2.81Å; K77-D118 PolarHBondContact NZ-OD2 3.39Å
78L92.4Very high95.1Very high22 Ų2223.3 Ų23.312%0.11514%0.14CC..SBendtrans-85.6-13.2179.1-55.7179.1000113.2I45 L48 R49 V52 Y73 A74I45-L78 HydrophobicContact CG2-CD1 4.29Å; I45-L78 HydrophobicContact CG2-CD2 4.32Å; L48-L78 HydrophobicContact CD2-CD1 4.03Å; L48-L78 HydrophobicContact CG-CD1 4.32Å; R49-L78 HydrophobicContact CB-CD2 4.36Å; R49-L78 HydrophobicContact CG-CD2 4.46Å; V52-L78 HydrophobicContact CG2-CB 4.13Å; Y73-L78 HydrophobicContact CD1-CD1 4.32Å; Y73-L78 HydrophobicContact CD1-CG 4.05Å; Y73-L78 HydrophobicContact CE1-CD1 4.48Å; Y73-L78 HydrophobicContact CE1-CD2 3.99Å; Y73-L78 HydrophobicContact CE1-CG 4.01Å; Y73-L78 PolarHBondContact O-N 3.34Å; Y73-L78 VanDerWaalsContact O-N 3.14Å; A74-L78 HydrophobicContact CB-CD1 4.35Å; A74-L78 CarbonylContact O-C 3.59Å; A74-L78 WeakPolarHBondContact O-CB 3.3Å; A74-L78 PolarHBondContact O-N 3.5Å
79G90.9Very high95.2Very high45 Ų4523.3 Ų23.346%0.46414%0.14SC..  trans76.929.7176.600000114.2A74 N81A74-G79 PolarHBondContact O-N 3.27Å; A74-G79 VanDerWaalsContact O-N 3.13Å; G79-N81 PolarHBondContact O-N 2.86Å
80L93.2Very high95.3Very high4 Ų423.3 Ų23.32%0.02114%0.14CC..  trans-61.3120.7174.5-173.470.1000110.7V52 I55 V58 A74 V75 K125V52-L80 HydrophobicContact CG2-CB 3.91Å; V52-L80 HydrophobicContact CG2-CD1 3.81Å; V52-L80 HydrophobicContact CG2-CG 4.48Å; I55-L80 HydrophobicContact CB-CD1 4.1Å; I55-L80 HydrophobicContact CD1-CD1 4.15Å; I55-L80 HydrophobicContact CG2-CD1 4.18Å; V58-L80 HydrophobicContact CG2-CD2 3.82Å; A74-L80 HydrophobicContact CB-CB 4.49Å; A74-L80 HydrophobicContact CB-CD2 4.29Å; A74-L80 WeakPolarHBondContact O-CB 3.38Å; A74-L80 PolarHBondContact O-N 3.31Å; V75-L80 HydrophobicContact CG2-CB 4.41Å; V75-L80 HydrophobicContact CG2-CD2 4.49Å; L80-K125 PolarHBondContact O-NZ 3.42Å
81N90.8Very high95.4Very high130 Ų13024.2 Ų24.270%0.69514%0.143SC*.  trans-130.351.8-171.467.5-19.4000112.8G79G79-N81 PolarHBondContact O-N 2.86Å
82C93.9Very high95.4Very high19 Ų1927 Ų2713%0.12816%0.155CC..SBendtrans-121.7171.6179.262.20000112.1D56D56-C82 WeakPolarHBondContact O-CB 3.45Å
83A95.4Very high95.5Very high26 Ų2627 Ų2722%0.21516%0.155CC..EExtended strand (participates in β ladder)trans-70.5131.8172.300000110.2A57 V58 Y85A57-A83 VanDerWaalsContact CA-O 3.31Å; A57-A83 WeakPolarHBondContact CA-O 3.49Å; V58-A83 PolarHBondContact N-O 3.16Å; A83-Y85 HydrophobicContact CB-CE2 3.76Å
84I98.1Very high95.6Very high1 Ų125.4 Ų25.41%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-110.3127.3175.7-57.2157.8000107.4V58 L60 L71 V75 K125 I126 Q127V58-I84 HydrophobicContact CB-CB 4.31Å; V58-I84 HydrophobicContact CB-CG1 4.01Å; V58-I84 HydrophobicContact CB-CG2 4.09Å; V58-I84 HydrophobicContact CG1-CG2 4.19Å; V58-I84 HydrophobicContact CG2-CG1 4.15Å; L60-I84 HydrophobicContact CD1-CG2 3.82Å; L60-I84 HydrophobicContact CG-CG2 4.02Å; L71-I84 HydrophobicContact CD1-CD1 3.9Å; L71-I84 HydrophobicContact CD1-CG1 4.48Å; L71-I84 HydrophobicContact CD2-CD1 4.42Å; V75-I84 HydrophobicContact CG2-CD1 4.2Å; I84-K125 HydrophobicContact CD1-CB 4.11Å; I84-I126 HydrophobicContact CB-CG1 4.02Å; I84-I126 HydrophobicContact CD1-CG1 4.37Å; I84-I126 HydrophobicContact CG2-CD1 4.27Å; I84-I126 HydrophobicContact CG2-CG1 3.75Å; I84-I126 HydrophobicContact CG2-CG2 4.5Å; I84-I126 CarbonylContact O-C 3.52Å; I84-I126 WeakPolarHBondContact O-CA 3.31Å; I84-Q127 PolarHBondContact O-N 2.95Å
85Y98.5Very high95.7Very high21 Ų2126.2 Ų26.28%0.08215%0.153CC..EExtended strand (participates in β ladder)trans-111.6129.2-179.8-61.9-83.3000110.2A57 V58 L59 L60 A83 Q127 L129 V135 L137 I146 W160A57-Y85 HydrophobicContact CB-CD2 4.29Å; A57-Y85 HydrophobicContact CB-CE2 4.01Å; V58-Y85 PolarHBondContact O-N 2.91Å; L59-Y85 HydrophobicContact CD2-CD2 3.88Å; L59-Y85 HydrophobicContact CD2-CG 4.19Å; L60-Y85 PolarHBondContact N-O 3.5Å; A83-Y85 HydrophobicContact CB-CE2 3.76Å; Y85-Q127 HydrophobicContact CD1-CB 3.95Å; Y85-Q127 HydrophobicContact CE1-CB 4.1Å; Y85-Q127 HydrophobicContact CE1-CG 4.48Å; Y85-L129 HydrophobicContact CD1-CD1 4.06Å; Y85-L129 HydrophobicContact CD1-CD2 4.33Å; Y85-L129 HydrophobicContact CD1-CG 4.39Å; Y85-V135 HydrophobicContact CE1-CG1 3.98Å; Y85-L137 HydrophobicContact CE2-CD2 3.89Å; Y85-L137 WeakPolarHBondContact OH-CD2 3.48Å; Y85-I146 HydrophobicContact CD1-CD1 3.73Å; Y85-I146 HydrophobicContact CD2-CD1 3.69Å; Y85-I146 HydrophobicContact CE1-CD1 4.08Å; Y85-I146 HydrophobicContact CE2-CD1 4.05Å; Y85-I146 HydrophobicContact CG-CD1 3.51Å; Y85-W160 WeakPolarHBondContact O-CZ2 2.99Å
86A98.4Very high95.8Very high0 Ų026.1 Ų26.10%015%0.152CC..EExtended strand (participates in β ladder)trans-152.5160.5176.100000109.6L60 V90 I126 Q127 Q128 L129L60-A86 HydrophobicContact CB-CB 4.04Å; L60-A86 HydrophobicContact CD1-CB 4.2Å; A86-V90 HydrophobicContact CB-CB 4.08Å; A86-V90 HydrophobicContact CB-CG1 3.8Å; A86-I126 HydrophobicContact CB-CG2 3.69Å; A86-Q127 PolarHBondContact N-O 3.1Å; A86-Q128 CarbonylContact O-C 3.42Å; A86-Q128 WeakPolarHBondContact O-CA 3.05Å; A86-L129 PolarHBondContact O-N 3.36Å
87T98.3Very high96.1Very high0 Ų024.8 Ų24.80%014%0.136CC..EExtended strand (participates in β ladder)trans-74.6161.2170.950.60000111.8P89 V90 Y91 L129 F131 P148 G156 T158 W286T87-P89 VanDerWaalsContact C-N 3.35Å; T87-V90 PolarHBondContact O-N 3.42Å; T87-V90 VanDerWaalsContact O-N 3.11Å; T87-V90 WeakPolarHBondContact OG1-CG2 3.46Å; T87-Y91 PolarHBondContact O-N 3.14Å; T87-L129 VanDerWaalsContact CA-O 3.29Å; T87-L129 WeakPolarHBondContact CA-O 3.07Å; T87-F131 HydrophobicContact CG2-CD1 4.26Å; T87-F131 HydrophobicContact CG2-CE1 4.14Å; T87-P148 HydrophobicContact CG2-CB 4.11Å; T87-P148 HydrophobicContact CG2-CG 4.35Å; T87-G156 PolarHBondContact OG1-O 2.72Å; T87-T158 HydrophobicContact CG2-CG2 3.22Å; T87-W286 HydrophobicContact CG2-CH2 3.8Å; T87-W286 HydrophobicContact CG2-CZ3 3.73Å
88I98.1Very high96.4Very high38 Ų3819.9 Ų19.920%0.19512%0.115CC..Hα-helixtrans-52.1-46.1179-57.1174.2000112.4Y91 K92 Q128 L129 K130 W286I88-Y91 PolarHBondContact O-N 2.9Å; I88-K92 PolarHBondContact O-N 3.16Å; I88-Q128 HydrophobicContact CG1-CB 4.07Å; I88-L129 PolarHBondContact N-O 3.41Å; I88-K130 HydrophobicContact CD1-CG 4.21Å; I88-W286 HydrophobicContact CB-CZ2 3.78Å; I88-W286 HydrophobicContact CD1-CZ2 3.85Å; I88-W286 HydrophobicContact CG1-CZ2 3.85Å
89P97.9Very high96.6Very high0 Ų021.3 Ų21.30%012%0.119CC..Hα-helixtrans-73.2-31.6179.4-15.231.4000112.9T87 Y91 K92 M93 I155 W286T87-P89 VanDerWaalsContact C-N 3.35Å; P89-Y91 VanDerWaalsContact C-N 3.3Å; P89-Y91 PolarHBondContact O-N 2.85Å; P89-K92 PolarHBondContact O-N 3.17Å; P89-M93 WeakPolarHBondContact O-CA 3.14Å; P89-M93 WeakPolarHBondContact O-CB 3.4Å; P89-M93 WeakPolarHBondContact O-CG 3.5Å; P89-M93 PolarHBondContact O-N 3.02Å; P89-I155 HydrophobicContact CB-CG1 3.92Å; P89-I155 HydrophobicContact CB-CG2 4.35Å; P89-I155 HydrophobicContact CG-CG1 4.32Å; P89-W286 HydrophobicContact CG-CB 4.06Å; P89-W286 HydrophobicContact CG-CD2 3.41Å; P89-W286 VanDerWaalsContact CG-CD2 3.41Å; P89-W286 HydrophobicContact CG-CE3 3.64Å; P89-W286 HydrophobicContact CG-CG 3.57Å; P89-W286 HydrophobicContact CG-CZ2 4.44Å; P89-W286 HydrophobicContact CG-CZ3 4.24Å
90V98.3Very high96.8Very high0 Ų019.2 Ų19.20%010%0.097CC..Hα-helixtrans-62.2-41.6173.1173.40000110.5L60 L68 A86 T87 G94 G156L60-V90 HydrophobicContact CB-CG1 4.11Å; L68-V90 HydrophobicContact CD2-CG1 4.12Å; A86-V90 HydrophobicContact CB-CB 4.08Å; A86-V90 HydrophobicContact CB-CG1 3.8Å; T87-V90 PolarHBondContact O-N 3.42Å; T87-V90 VanDerWaalsContact O-N 3.11Å; T87-V90 WeakPolarHBondContact OG1-CG2 3.46Å; V90-G94 WeakPolarHBondContact O-CA 3.37Å; V90-G94 PolarHBondContact O-N 3.39Å; V90-G156 WeakPolarHBondContact CG2-O 3.29Å
91Y98Very high96.9Very high21 Ų2119.4 Ų19.48%0.08210%0.098CC..Hα-helixtrans-61.3-55.5173165.9-107.6000112.3T87 I88 P89 Q95 F123 I126 Q128T87-Y91 PolarHBondContact O-N 3.14Å; I88-Y91 PolarHBondContact O-N 2.9Å; P89-Y91 VanDerWaalsContact C-N 3.3Å; P89-Y91 PolarHBondContact O-N 2.85Å; Y91-Q95 WeakPolarHBondContact O-CB 3.29Å; Y91-Q95 PolarHBondContact O-N 2.9Å; Y91-Q95 VanDerWaalsContact O-N 3.13Å; Y91-F123 HydrophobicContact CD2-CB 4.24Å; Y91-F123 AromaticContact CD2-CD1 3.76Å; Y91-F123 HydrophobicContact CD2-CD1 3.76Å; Y91-F123 HydrophobicContact CD2-CG 4.5Å; Y91-F123 HydrophobicContact CE2-CB 3.84Å; Y91-F123 HydrophobicContact CE2-CD1 4.16Å; Y91-F123 WeakPolarHBondContact CE2-O 2.87Å; Y91-F123 VanDerWaalsContact O-CD1 3.25Å; Y91-F123 WeakPolarHBondContact O-CD1 3.14Å; Y91-F123 WeakPolarHBondContact O-CE1 3.38Å; Y91-I126 HydrophobicContact CD2-CB 4Å; Y91-I126 HydrophobicContact CD2-CD1 4.23Å; Y91-I126 HydrophobicContact CD2-CG2 4.25Å; Y91-Q128 VanDerWaalsContact CD1-CD 3.41Å; Y91-Q128 HydrophobicContact CD1-CG 3.79Å; Y91-Q128 HydrophobicContact CD2-CG 4.46Å; Y91-Q128 HydrophobicContact CE1-CG 4.38Å; Y91-Q128 VanDerWaalsContact CE1-NE2 3.3Å; Y91-Q128 HydrophobicContact CG-CG 3.84Å
92K97.4Very high97.2Very high58 Ų5814.7 Ų14.725%0.2527%0.071SC..Hα-helixtrans-71.2-48.2-175.2-71.8-58.1-172.2-168.70113.6I88 P89 Q95 M96I88-K92 PolarHBondContact O-N 3.16Å; P89-K92 PolarHBondContact O-N 3.17Å; K92-Q95 PolarHBondContact O-N 3.2Å; K92-M96 WeakPolarHBondContact O-CG 3.28Å; K92-M96 PolarHBondContact O-N 3.27Å
93M97.5Very high97.2Very high0 Ų016.7 Ų16.70%08%0.078CC..Hα-helixtrans-72.5-35-179.6-61.2-57.5-171.900110.9P63 P89 Q95 M96 F97 I155 A240 L244 F279P63-M93 HydrophobicContact CB-CB 3.9Å; P63-M93 HydrophobicContact CG-CB 4.38Å; P89-M93 WeakPolarHBondContact O-CA 3.14Å; P89-M93 WeakPolarHBondContact O-CB 3.4Å; P89-M93 WeakPolarHBondContact O-CG 3.5Å; P89-M93 PolarHBondContact O-N 3.02Å; M93-Q95 VanDerWaalsContact C-N 3.3Å; M93-Q95 PolarHBondContact O-N 3.41Å; M93-M96 WeakPolarHBondContact O-CA 3.32Å; M93-M96 WeakPolarHBondContact O-CB 3.48Å; M93-M96 PolarHBondContact O-N 3.43Å; M93-F97 VanDerWaalsContact O-CD2 3.24Å; M93-F97 WeakPolarHBondContact O-CD2 3.48Å; M93-F97 PolarHBondContact O-N 3.34Å; M93-I155 HydrophobicContact CB-CG2 4.5Å; M93-I155 HydrophobicContact CE-CG2 4.44Å; 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 3.84Å; M93-L244 HydrophobicContact CE-CD1 4.24Å; M93-F279 HydrophobicContact CE-CB 3.99Å; M93-F279 HydrophobicContact SD-CB 4.43Å
94G97.6Very high97.1Very high0 Ų015.5 Ų15.50%07%0.068CC..Hα-helixtrans-59.1-41.2172.800000112.8P63 V90 M96 F97 M98 F123P63-G94 VanDerWaalsContact O-CA 3.24Å; P63-G94 WeakPolarHBondContact O-CA 3.36Å; V90-G94 WeakPolarHBondContact O-CA 3.37Å; V90-G94 PolarHBondContact O-N 3.39Å; G94-M96 VanDerWaalsContact C-N 3.29Å; G94-M96 PolarHBondContact O-N 3.25Å; G94-F97 WeakPolarHBondContact O-CB 3.36Å; G94-F97 PolarHBondContact O-N 3.29Å; G94-M98 WeakPolarHBondContact O-CG 3.33Å; G94-M98 PolarHBondContact O-N 3.22Å; G94-F123 VanDerWaalsContact C-CE1 3.48Å
95Q97.4Very high96.8Very high18 Ų1816.2 Ų16.28%0.0847%0.071CC..Hα-helixtrans-61.2-40.7174-161.2-176.516.600111.1Y91 K92 M93 M98 Y99 V119 D120 F123Y91-Q95 WeakPolarHBondContact O-CB 3.29Å; Y91-Q95 PolarHBondContact O-N 2.9Å; Y91-Q95 VanDerWaalsContact O-N 3.13Å; K92-Q95 PolarHBondContact O-N 3.2Å; M93-Q95 VanDerWaalsContact C-N 3.3Å; M93-Q95 PolarHBondContact O-N 3.41Å; Q95-M98 PolarHBondContact O-N 3.41Å; Q95-Y99 HydrophobicContact CG-CD2 4.06Å; Q95-Y99 HydrophobicContact CG-CE2 3.56Å; Q95-Y99 PolarHBondContact NE2-OH 3.43Å; Q95-Y99 VanDerWaalsContact NE2-OH 3.1Å; Q95-Y99 VanDerWaalsContact O-CD2 3.28Å; Q95-Y99 WeakPolarHBondContact O-CD2 3.45Å; Q95-Y99 PolarHBondContact O-N 2.99Å; Q95-V119 HydrophobicContact CG-CG1 4.25Å; Q95-D120 PolarHBondContact NE2-OD1 3.26Å; Q95-D120 VanDerWaalsContact NE2-OD1 3.11Å; Q95-F123 HydrophobicContact CB-CD1 3.84Å; Q95-F123 HydrophobicContact CB-CE1 4Å; Q95-F123 HydrophobicContact CB-CG 4.2Å; Q95-F123 HydrophobicContact CB-CZ 4.45Å; Q95-F123 HydrophobicContact CG-CD1 4.36Å; Q95-F123 HydrophobicContact CG-CG 4.22Å
96M97Very high96.4Very high7 Ų717.5 Ų17.53%0.0348%0.077CC..Hα-helixtrans-65-39.5176.4-62.7-56.399.900112.6K92 M93 G94 M98 Y99 D100 A240 V272 N275 V276 F279K92-M96 WeakPolarHBondContact O-CG 3.28Å; K92-M96 PolarHBondContact O-N 3.27Å; M93-M96 WeakPolarHBondContact O-CA 3.32Å; M93-M96 WeakPolarHBondContact O-CB 3.48Å; M93-M96 PolarHBondContact O-N 3.43Å; G94-M96 VanDerWaalsContact C-N 3.29Å; G94-M96 PolarHBondContact O-N 3.25Å; M96-M98 VanDerWaalsContact C-N 3.34Å; M96-Y99 HydrophobicContact CE-CD2 3.52Å; M96-Y99 HydrophobicContact CE-CE2 3.7Å; M96-Y99 HydrophobicContact SD-CD2 4.43Å; M96-D100 WeakPolarHBondContact O-CB 3.31Å; M96-D100 PolarHBondContact O-N 3.38Å; M96-A240 HydrophobicContact CB-CB 4.32Å; M96-V272 HydrophobicContact CB-CG2 4.19Å; M96-V272 HydrophobicContact SD-CB 4.26Å; 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 4.07Å; M96-V276 HydrophobicContact CG-CG2 4.2Å; M96-F279 HydrophobicContact CE-CD2 4.47Å; M96-F279 HydrophobicContact CE-CE2 3.73Å; M96-F279 HydrophobicContact CG-CD2 4.07Å; M96-F279 HydrophobicContact CG-CE2 4.23Å; M96-F279 HydrophobicContact SD-CD2 4.13Å; M96-F279 HydrophobicContact SD-CE2 3.74Å
97F97.4Very high95.9Very high7 Ų720 Ų203%0.0319%0.091CC..Hα-helixtrans-58.8-46.5172.8-88.2-80.1000111.4P63 D64 P65 M93 G94 D100 L101 M154 D238 A240P63-F97 HydrophobicContact CB-CD2 4.03Å; P63-F97 HydrophobicContact CB-CE2 4.05Å; P63-F97 HydrophobicContact CG-CE2 4.06Å; P63-F97 WeakPolarHBondContact O-CD2 3.39Å; P63-F97 WeakPolarHBondContact O-CG 3.33Å; D64-F97 HydrophobicContact CB-CE1 4.14Å; D64-F97 HydrophobicContact CB-CE2 4.48Å; D64-F97 HydrophobicContact CB-CZ 4.1Å; P65-F97 HydrophobicContact CG-CD1 4.34Å; M93-F97 VanDerWaalsContact O-CD2 3.24Å; M93-F97 WeakPolarHBondContact O-CD2 3.48Å; M93-F97 PolarHBondContact O-N 3.34Å; G94-F97 WeakPolarHBondContact O-CB 3.36Å; G94-F97 PolarHBondContact O-N 3.29Å; F97-D100 PolarHBondContact O-N 2.69Å; F97-L101 WeakPolarHBondContact O-CB 3.46Å; F97-L101 PolarHBondContact O-N 3.32Å; F97-M154 HydrophobicContact CZ-SD 4.41Å; F97-D238 HydrophobicContact CE1-CB 3.84Å; F97-D238 HydrophobicContact CZ-CB 3.96Å; F97-D238 WeakPolarHBondContact CZ-OD2 3.34Å; F97-A240 HydrophobicContact CD2-CB 3.96Å; F97-A240 HydrophobicContact CE2-CB 3.72Å; F97-A240 HydrophobicContact CZ-CB 4.4Å
98M97.1Very high95.4Very high0 Ų020.7 Ų20.70%010%0.095CC..Hα-helixtrans-70.2-37.7-178.2-61.9-45.6-72.100112.8L68 G69 P72 G94 Q95 M96 L101 Y102 F114 V119 F123L68-M98 HydrophobicContact CD1-CG 3.83Å; L68-M98 HydrophobicContact CD1-SD 3.72Å; G69-M98 VanDerWaalsContact O-CE 3.27Å; G69-M98 WeakPolarHBondContact O-CE 3.02Å; P72-M98 HydrophobicContact CG-CE 3.66Å; P72-M98 HydrophobicContact CG-CG 4.3Å; G94-M98 WeakPolarHBondContact O-CG 3.33Å; G94-M98 PolarHBondContact O-N 3.22Å; Q95-M98 PolarHBondContact O-N 3.41Å; M96-M98 VanDerWaalsContact C-N 3.34Å; M98-L101 HydrophobicContact CE-CD2 4.09Å; M98-L101 HydrophobicContact SD-CD2 4.18Å; M98-Y102 WeakPolarHBondContact O-CB 3.33Å; M98-Y102 PolarHBondContact O-N 2.82Å; M98-F114 HydrophobicContact CE-CE1 3.95Å; M98-F114 HydrophobicContact CE-CE2 3.94Å; M98-F114 HydrophobicContact CE-CZ 3.47Å; M98-F114 VanDerWaalsContact CE-CZ 3.47Å; M98-V119 HydrophobicContact CB-CG1 3.72Å; M98-V119 HydrophobicContact CB-CG2 3.91Å; M98-F123 HydrophobicContact CB-CE2 4.45Å; M98-F123 HydrophobicContact CG-CE2 3.88Å; M98-F123 HydrophobicContact CG-CZ 4.13Å
99Y96.8Very high94.9Very high53 Ų5320.6 Ų20.621%0.2089%0.094CC..Hα-helixtrans-61.5-47.6171.7-75-46.4000111.9Q95 M96 Q103 L116 V119 D120Q95-Y99 HydrophobicContact CG-CD2 4.06Å; Q95-Y99 HydrophobicContact CG-CE2 3.56Å; Q95-Y99 PolarHBondContact NE2-OH 3.43Å; Q95-Y99 VanDerWaalsContact NE2-OH 3.1Å; Q95-Y99 VanDerWaalsContact O-CD2 3.28Å; Q95-Y99 WeakPolarHBondContact O-CD2 3.45Å; Q95-Y99 PolarHBondContact O-N 2.99Å; M96-Y99 HydrophobicContact CE-CD2 3.52Å; M96-Y99 HydrophobicContact CE-CE2 3.7Å; M96-Y99 HydrophobicContact SD-CD2 4.43Å; Y99-Q103 VanDerWaalsContact O-CB 3.29Å; Y99-Q103 WeakPolarHBondContact O-CB 3.38Å; Y99-Q103 PolarHBondContact O-N 2.88Å; Y99-L116 HydrophobicContact CD1-CD1 4.38Å; Y99-L116 HydrophobicContact CD1-CD2 3.6Å; Y99-L116 HydrophobicContact CD1-CG 4.42Å; Y99-L116 HydrophobicContact CE1-CB 4.4Å; Y99-L116 HydrophobicContact CE1-CD2 4.12Å; Y99-V119 HydrophobicContact CE1-CG1 4.48Å; Y99-D120 PolarHBondContact OH-OD1 3.15Å
100D96.5Very high94.3Very high0 Ų026.4 Ų26.40%013%0.125CC..Hα-helixtrans-68.9-36.2-179-165.945000112M96 F97 S104 T239 N271 V272 S329M96-D100 WeakPolarHBondContact O-CB 3.31Å; M96-D100 PolarHBondContact O-N 3.38Å; F97-D100 PolarHBondContact O-N 2.69Å; D100-S104 WeakPolarHBondContact O-CA 3.37Å; D100-S104 WeakPolarHBondContact O-CB 3.37Å; D100-S104 PolarHBondContact O-N 3.46Å; D100-S104 PolarHBondContact O-OG 3.41Å; D100-T239 HydrophobicContact CB-CG2 3.46Å; D100-T239 VanDerWaalsContact CB-CG2 3.46Å; D100-T239 VanDerWaalsContact OD2-CG2 3.31Å; D100-T239 WeakPolarHBondContact OD2-CG2 3.4Å; D100-T239 PolarHBondContact OD2-OG1 3.27Å; D100-N271 VanDerWaalsContact OD1-CB 3.31Å; D100-N271 WeakPolarHBondContact OD1-CB 3.37Å; D100-N271 PolarHBondContact OD1-N 3.33Å; D100-N271 PolarHBondContact OD1-ND2 3.42Å; D100-V272 HydrophobicContact CB-CG2 4.01Å; D100-S329 WeakPolarHBondContact OD2-CB 3.37Å; D100-S329 PolarHBondContact OD2-OG 3.05Å
101L95.4Very high93.9Very high8 Ų827 Ų274%0.04213%0.127CC..Hα-helixtrans-64.2-48.1175.7-178.659.8000111.4F40 P65 F97 M98 R105 F114F40-L101 HydrophobicContact CE1-CD2 4.33Å; F40-L101 HydrophobicContact CZ-CD1 4.03Å; F40-L101 HydrophobicContact CZ-CD2 3.83Å; F40-L101 HydrophobicContact CZ-CG 4.04Å; P65-L101 HydrophobicContact CB-CD2 4.01Å; P65-L101 HydrophobicContact CG-CD2 3.88Å; F97-L101 WeakPolarHBondContact O-CB 3.46Å; F97-L101 PolarHBondContact O-N 3.32Å; M98-L101 HydrophobicContact CE-CD2 4.09Å; M98-L101 HydrophobicContact SD-CD2 4.18Å; L101-R105 PolarHBondContact O-N 3.32Å; L101-F114 HydrophobicContact CD2-CZ 4.37Å
102Y95.4Very high93.5Very high32 Ų3231 Ų3113%0.12515%0.154CC..Hα-helixtrans-59.4-53.1174.5176.1-92.1000110.7M98 S104 R105 H106 F111 F114 L116M98-Y102 WeakPolarHBondContact O-CB 3.33Å; M98-Y102 PolarHBondContact O-N 2.82Å; Y102-S104 PolarHBondContact O-N 3.37Å; Y102-R105 PolarHBondContact O-N 2.82Å; Y102-H106 HydrophobicContact CD1-CB 4.41Å; Y102-H106 HydrophobicContact CE1-CB 4.15Å; Y102-H106 VanDerWaalsContact O-CB 3.23Å; Y102-H106 WeakPolarHBondContact O-CB 3.49Å; Y102-H106 PolarHBondContact O-N 3.42Å; Y102-F111 AromaticContact CD2-CD1 3.6Å; Y102-F111 HydrophobicContact CD2-CD1 3.6Å; Y102-F111 AromaticContact CD2-CE1 3.95Å; Y102-F111 HydrophobicContact CD2-CE1 3.95Å; Y102-F111 AromaticContact CE2-CD1 3.95Å; Y102-F111 HydrophobicContact CE2-CD1 3.95Å; Y102-F114 HydrophobicContact CD2-CD2 4.42Å; Y102-F114 HydrophobicContact CD2-CE2 4.33Å; Y102-F114 VanDerWaalsContact CD2-O 3.24Å; Y102-F114 WeakPolarHBondContact CD2-O 2.99Å; Y102-F114 WeakPolarHBondContact CE2-O 3.34Å; Y102-L116 HydrophobicContact CD1-CD1 4.2Å; Y102-L116 HydrophobicContact CD1-CD2 3.26Å; Y102-L116 HydrophobicContact CD1-CG 3.64Å; Y102-L116 HydrophobicContact CD2-CD2 4.31Å; Y102-L116 HydrophobicContact CE1-CD1 4.22Å; Y102-L116 HydrophobicContact CE1-CD2 3.91Å; Y102-L116 HydrophobicContact CE1-CG 3.73Å; Y102-L116 HydrophobicContact CG-CD2 3.5Å; Y102-L116 HydrophobicContact CG-CG 4.23Å
103Q94.2Very high93.2Very high61 Ų6130.2 Ų30.229%0.28515%0.153SC..Hα-helixtrans-66.7-38.4-174.6-167.56323.500112.1Y99 R105 H106 N107 N271Y99-Q103 VanDerWaalsContact O-CB 3.29Å; Y99-Q103 WeakPolarHBondContact O-CB 3.38Å; Y99-Q103 PolarHBondContact O-N 2.88Å; Q103-R105 VanDerWaalsContact C-N 3.32Å; Q103-R105 PolarHBondContact O-N 2.72Å; Q103-H106 PolarHBondContact O-N 3.5Å; Q103-N107 PolarHBondContact NE2-OD1 3.3Å; Q103-N107 VanDerWaalsContact NE2-OD1 3.1Å; Q103-N107 WeakPolarHBondContact O-CB 3.27Å; Q103-N107 PolarHBondContact O-N 3.14Å; Q103-N107 PolarHBondContact O-ND2 3.26Å; Q103-N107 PolarHBondContact O-OD1 2.9Å; Q103-N271 HydrophobicContact CB-CB 4.07Å; Q103-N271 HydrophobicContact CG-CB 3.9Å
104S93.1Very high93Very high0 Ų030.2 Ų30.20%015%0.153CC..Hα-helixtrans-60.8-39.8176.8-69.10000112.5D100 Y102 T108 N271D100-S104 WeakPolarHBondContact O-CA 3.37Å; D100-S104 WeakPolarHBondContact O-CB 3.37Å; D100-S104 PolarHBondContact O-N 3.46Å; D100-S104 PolarHBondContact O-OG 3.41Å; Y102-S104 PolarHBondContact O-N 3.37Å; S104-T108 PolarHBondContact O-OG1 3.25Å; S104-N271 PolarHBondContact OG-ND2 2.82Å; S104-N271 VanDerWaalsContact OG-ND2 3.11Å
105R91.6Very high92.9Very high17 Ų1732.6 Ų32.66%0.06417%0.167CC..Hα-helixtrans-76.6-43.9174.5-69.8-169.8169.4-88.31.3111.6E38 L101 Y102 Q103 N107 T108 E109 F111 C335E38-R105 PolarHBondContact O-NH2 3.28Å; L101-R105 PolarHBondContact O-N 3.32Å; Y102-R105 PolarHBondContact O-N 2.82Å; Q103-R105 VanDerWaalsContact C-N 3.32Å; Q103-R105 PolarHBondContact O-N 2.72Å; R105-N107 PolarHBondContact O-N 3.24Å; R105-N107 VanDerWaalsContact O-N 3.17Å; R105-T108 PolarHBondContact O-N 3.01Å; R105-T108 PolarHBondContact O-OG1 3.35Å; R105-T108 VanDerWaalsContact O-OG1 3.05Å; R105-E109 HydrophobicContact CB-CG 4.23Å; R105-E109 IonicContact CZ-OE1 3.52Å; R105-E109 IonicContact NH1-OE1 2.79Å; R105-E109 PolarHBondContact NH1-OE1 3.1Å; R105-E109 WeakPolarHBondContact O-CG 3.3Å; R105-E109 PolarHBondContact O-N 3.14Å; R105-F111 HydrophobicContact CB-CB 3.98Å; R105-F111 HydrophobicContact CB-CD2 3.88Å; R105-F111 HydrophobicContact CB-CG 3.93Å; R105-F111 HydrophobicContact CG-CD2 4.37Å; R105-C335 HydrophobicContact CG-CB 3.98Å
106H91.4Very high92.8Very high47 Ų4734.4 Ų34.422%0.21818%0.177CC..Hα-helixtrans-56.7-35.1176.7-166.676.2000111.8Y102 Q103 T108 R384Y102-H106 HydrophobicContact CD1-CB 4.41Å; Y102-H106 HydrophobicContact CE1-CB 4.15Å; Y102-H106 VanDerWaalsContact O-CB 3.23Å; Y102-H106 WeakPolarHBondContact O-CB 3.49Å; Y102-H106 PolarHBondContact O-N 3.42Å; Q103-H106 PolarHBondContact O-N 3.5Å; H106-T108 PolarHBondContact O-N 3.24Å; H106-R384 PolarHBondContact CD2-NH1 2.98Å; H106-R384 PolarHBondContact CE1-NH1 2.99Å; H106-R384 PolarHBondContact CE1-NH2 2.85Å; H106-R384 PolarHBondContact ND1-NH2 3.49Å; H106-R384 PolarHBondContact NE2-NH1 3.13Å; H106-R384 PolarHBondContact O-NE 2.98Å; H106-R384 VanDerWaalsContact O-NE 3.08Å; H106-R384 PolarHBondContact O-NH1 3.18Å; H106-R384 PolarHBondContact O-NH2 3.2Å
107N88.4Confident92.7Very high53 Ų5340 Ų4028%0.28321%0.207SC..THydrogen-bonded Turntrans-64.6-21.7175.8-69.8-15.7000114Q103 R105 N271 R384Q103-N107 PolarHBondContact NE2-OD1 3.3Å; Q103-N107 VanDerWaalsContact NE2-OD1 3.1Å; Q103-N107 WeakPolarHBondContact O-CB 3.27Å; Q103-N107 PolarHBondContact O-N 3.14Å; Q103-N107 PolarHBondContact O-ND2 3.26Å; Q103-N107 PolarHBondContact O-OD1 2.9Å; R105-N107 PolarHBondContact O-N 3.24Å; R105-N107 VanDerWaalsContact O-N 3.17Å; N107-N271 PolarHBondContact ND2-OD1 2.83Å; N107-N271 VanDerWaalsContact ND2-OD1 3.16Å; N107-R384 WeakPolarHBondContact O-CB 3.44Å
108T86.1Confident92.6Very high14 Ų1440.4 Ų40.49%0.08621%0.21CC..THydrogen-bonded Turntrans-114.8-32.7-172.955.10000113.5S104 R105 H106 C522S104-T108 PolarHBondContact O-OG1 3.25Å; R105-T108 PolarHBondContact O-N 3.01Å; R105-T108 PolarHBondContact O-OG1 3.35Å; R105-T108 VanDerWaalsContact O-OG1 3.05Å; H106-T108 PolarHBondContact O-N 3.24Å; T108-C522 WeakPolarHBondContact O-CB 3.34Å; T108-C522 PolarHBondContact O-SG 3.49Å
109E87.8Confident92.6Very high37 Ų3740.4 Ų40.417%0.17321%0.21CC..SBendtrans-138.2172.7-174.865.4-174172.900112.9R105 F111 R382 R384 C522R105-E109 HydrophobicContact CB-CG 4.23Å; R105-E109 IonicContact CZ-OE1 3.52Å; R105-E109 IonicContact NH1-OE1 2.79Å; R105-E109 PolarHBondContact NH1-OE1 3.1Å; R105-E109 WeakPolarHBondContact O-CG 3.3Å; R105-E109 PolarHBondContact O-N 3.14Å; E109-F111 HydrophobicContact CG-CB 4.36Å; E109-F111 PolarHBondContact O-N 3.3Å; E109-R382 IonicContact OE1-NH1 3.59Å; E109-R382 IonicContact OE2-CZ 3.16Å; E109-R382 IonicContact OE2-NH1 3.89Å; E109-R382 PolarHBondContact OE2-NH1 2.77Å; E109-R384 PolarHBondContact O-NH2 3.11Å; E109-C522 WeakPolarHBondContact CA-SG 3.03Å
110D86.8Confident92.6Very high121 Ų12140.2 Ų40.265%0.64721%0.212SC*.  trans-88.679.6172.2-166.313.7000109.3T112D110-T112 PolarHBondContact O-N 2.82Å
111F89.1Confident92.6Very high12 Ų1242.3 Ų42.35%0.05323%0.229CC..  trans-77.7115.1-176.3-173.3-100.8000111F40 Y102 R105 E109 L113 F114F40-F111 HydrophobicContact CD2-CE2 4.49Å; F40-F111 HydrophobicContact CE1-CE2 4.47Å; F40-F111 HydrophobicContact CE1-CZ 4.17Å; F40-F111 HydrophobicContact CE2-CE2 4.31Å; F40-F111 HydrophobicContact CZ-CE2 4.25Å; F40-F111 HydrophobicContact CZ-CZ 4.2Å; Y102-F111 AromaticContact CD2-CD1 3.6Å; Y102-F111 HydrophobicContact CD2-CD1 3.6Å; Y102-F111 AromaticContact CD2-CE1 3.95Å; Y102-F111 HydrophobicContact CD2-CE1 3.95Å; Y102-F111 AromaticContact CE2-CD1 3.95Å; Y102-F111 HydrophobicContact CE2-CD1 3.95Å; R105-F111 HydrophobicContact CB-CB 3.98Å; R105-F111 HydrophobicContact CB-CD2 3.88Å; R105-F111 HydrophobicContact CB-CG 3.93Å; R105-F111 HydrophobicContact CG-CD2 4.37Å; E109-F111 HydrophobicContact CG-CB 4.36Å; E109-F111 PolarHBondContact O-N 3.3Å; F111-L113 HydrophobicContact CE1-CB 4.2Å; F111-L113 HydrophobicContact CE2-CB 4.08Å; F111-L113 HydrophobicContact CE2-CD1 3.69Å; F111-L113 HydrophobicContact CE2-CG 3.87Å; F111-L113 HydrophobicContact CZ-CB 3.73Å; F111-L113 HydrophobicContact CZ-CD1 3.99Å; F111-L113 HydrophobicContact CZ-CG 4.06Å; F111-F114 AromaticContact CE1-CD1 3.79Å; F111-F114 HydrophobicContact CE1-CD1 3.79Å; F111-F114 HydrophobicContact CE1-CD2 4.31Å; F111-F114 AromaticContact CE1-CE1 3.61Å; F111-F114 HydrophobicContact CE1-CE1 3.61Å; F111-F114 HydrophobicContact CE1-CE2 4.16Å; F111-F114 HydrophobicContact CE1-CG 4.14Å; F111-F114 AromaticContact CE1-CZ 3.79Å; F111-F114 HydrophobicContact CE1-CZ 3.79Å; F111-F114 AromaticContact CZ-CD1 3.83Å; F111-F114 HydrophobicContact CZ-CD1 3.83Å; F111-F114 AromaticContact CZ-CE1 3.47Å; F111-F114 HydrophobicContact CZ-CE1 3.47Å; F111-F114 VanDerWaalsContact CZ-CE1 3.47Å; F111-F114 AromaticContact CZ-CZ 3.98Å; F111-F114 HydrophobicContact CZ-CZ 3.98Å
112T89Confident92.7Very high106 Ų10641.9 Ų41.965%0.6523%0.227SC*.  trans-125.27-172.151.80000114.1D110D110-T112 PolarHBondContact O-N 2.82Å
113L92.2Very high92.7Very high42 Ų4240.4 Ų40.422%0.2222%0.221CC..SBendtrans-66-51.6-178.2-60.4-175.2000111.3W36 F40 M42 Y73 F111W36-L113 HydrophobicContact CH2-CB 4.29Å; W36-L113 HydrophobicContact CH2-CD1 4Å; W36-L113 HydrophobicContact CZ2-CD1 4.32Å; F40-L113 HydrophobicContact CB-CD1 3.43Å; F40-L113 VanDerWaalsContact CB-CD1 3.43Å; F40-L113 HydrophobicContact CD1-CD1 3.64Å; F40-L113 HydrophobicContact CD2-CD1 4.32Å; F40-L113 HydrophobicContact CG-CD1 3.51Å; M42-L113 HydrophobicContact CE-CD1 4.38Å; M42-L113 HydrophobicContact CE-CD2 3.53Å; Y73-L113 WeakPolarHBondContact CD2-O 3.16Å; Y73-L113 WeakPolarHBondContact CE2-O 3.39Å; F111-L113 HydrophobicContact CE1-CB 4.2Å; F111-L113 HydrophobicContact CE2-CB 4.08Å; F111-L113 HydrophobicContact CE2-CD1 3.69Å; F111-L113 HydrophobicContact CE2-CG 3.87Å; F111-L113 HydrophobicContact CZ-CB 3.73Å; F111-L113 HydrophobicContact CZ-CD1 3.99Å; F111-L113 HydrophobicContact CZ-CG 4.06Å
114F93.7Very high92.8Very high0 Ų043.1 Ų43.10%024%0.238CC..  trans-140.6156.7172.863.2-94.4000109.7W36 F40 P72 M98 L101 Y102 F111 D118 V119W36-F114 HydrophobicContact CZ3-CD1 4.38Å; F40-F114 AromaticContact CE1-CE1 3.97Å; F40-F114 HydrophobicContact CE1-CE1 3.97Å; P72-F114 HydrophobicContact CB-CB 4.14Å; P72-F114 HydrophobicContact CB-CD2 4.07Å; P72-F114 HydrophobicContact CB-CG 4.08Å; M98-F114 HydrophobicContact CE-CE1 3.95Å; M98-F114 HydrophobicContact CE-CE2 3.94Å; M98-F114 HydrophobicContact CE-CZ 3.47Å; M98-F114 VanDerWaalsContact CE-CZ 3.47Å; L101-F114 HydrophobicContact CD2-CZ 4.37Å; Y102-F114 HydrophobicContact CD2-CD2 4.42Å; Y102-F114 HydrophobicContact CD2-CE2 4.33Å; Y102-F114 VanDerWaalsContact CD2-O 3.24Å; Y102-F114 WeakPolarHBondContact CD2-O 2.99Å; Y102-F114 WeakPolarHBondContact CE2-O 3.34Å; F111-F114 AromaticContact CE1-CD1 3.79Å; F111-F114 HydrophobicContact CE1-CD1 3.79Å; F111-F114 HydrophobicContact CE1-CD2 4.31Å; F111-F114 AromaticContact CE1-CE1 3.61Å; F111-F114 HydrophobicContact CE1-CE1 3.61Å; F111-F114 HydrophobicContact CE1-CE2 4.16Å; F111-F114 HydrophobicContact CE1-CG 4.14Å; F111-F114 AromaticContact CE1-CZ 3.79Å; F111-F114 HydrophobicContact CE1-CZ 3.79Å; F111-F114 AromaticContact CZ-CD1 3.83Å; F111-F114 HydrophobicContact CZ-CD1 3.83Å; F111-F114 AromaticContact CZ-CE1 3.47Å; F111-F114 HydrophobicContact CZ-CE1 3.47Å; F111-F114 VanDerWaalsContact CZ-CE1 3.47Å; F111-F114 AromaticContact CZ-CZ 3.98Å; F111-F114 HydrophobicContact CZ-CZ 3.98Å; F114-D118 HydrophobicContact CB-CB 4.2Å; F114-V119 HydrophobicContact CD2-CG2 3.79Å; F114-V119 HydrophobicContact CE2-CG2 3.81Å
115T94.6Very high92.9Very high49 Ų4947.7 Ų47.730%0.30126%0.258SS..  trans-108.1170.317961.40000111D117 D118 V119T115-D117 VanDerWaalsContact C-N 3.25Å; T115-D117 PolarHBondContact O-N 2.92Å; T115-D118 PolarHBondContact N-OD2 3.37Å; T115-D118 WeakPolarHBondContact O-CB 3.3Å; T115-D118 PolarHBondContact O-N 3.04Å; T115-D118 VanDerWaalsContact O-N 3.16Å; T115-D118 VanDerWaalsContact OG1-CG 3.28Å; T115-D118 PolarHBondContact OG1-N 3.29Å; T115-D118 PolarHBondContact OG1-OD2 2.99Å; T115-V119 PolarHBondContact O-N 3.39Å; T115-V119 VanDerWaalsContact O-N 3.15Å
116L95.1Very high93.2Very high56 Ų5647.4 Ų47.429%0.29326%0.257SS..Hα-helixtrans-62.9-33.9174-61.8-170.4000112.5Y99 Y102 D118 V119 D120Y99-L116 HydrophobicContact CD1-CD1 4.38Å; Y99-L116 HydrophobicContact CD1-CD2 3.6Å; Y99-L116 HydrophobicContact CD1-CG 4.42Å; Y99-L116 HydrophobicContact CE1-CB 4.4Å; Y99-L116 HydrophobicContact CE1-CD2 4.12Å; Y102-L116 HydrophobicContact CD1-CD1 4.2Å; Y102-L116 HydrophobicContact CD1-CD2 3.26Å; Y102-L116 HydrophobicContact CD1-CG 3.64Å; Y102-L116 HydrophobicContact CD2-CD2 4.31Å; Y102-L116 HydrophobicContact CE1-CD1 4.22Å; Y102-L116 HydrophobicContact CE1-CD2 3.91Å; Y102-L116 HydrophobicContact CE1-CG 3.73Å; Y102-L116 HydrophobicContact CG-CD2 3.5Å; Y102-L116 HydrophobicContact CG-CG 4.23Å; L116-D118 VanDerWaalsContact C-N 3.3Å; L116-D118 PolarHBondContact O-N 3.06Å; L116-V119 WeakPolarHBondContact O-CA 3.35Å; L116-V119 VanDerWaalsContact O-CB 3.32Å; L116-V119 WeakPolarHBondContact O-CB 3.36Å; L116-V119 PolarHBondContact O-N 3.38Å; L116-V119 VanDerWaalsContact O-N 3.08Å; L116-D120 PolarHBondContact O-N 2.88Å
117D95.6Very high93.5Very high126 Ų12649.6 Ų49.667%0.67427%0.268SS*.Hα-helixtrans-64.1-36.6174.3-57.9-27.7000111.7T115 V119 D120 A121T115-D117 VanDerWaalsContact C-N 3.25Å; T115-D117 PolarHBondContact O-N 2.92Å; D117-V119 VanDerWaalsContact C-N 3.29Å; D117-V119 PolarHBondContact O-N 2.88Å; D117-D120 PolarHBondContact O-N 3.16Å; D117-A121 VanDerWaalsContact O-CB 3.25Å; D117-A121 WeakPolarHBondContact O-CB 3Å; D117-A121 PolarHBondContact O-N 3.25Å
118D95.8Very high94Very high15 Ų1551.3 Ų51.38%0.0827%0.274CS..Hα-helixtrans-66.8-33.5174.3-61.6-62.7000111.1P72 K77 F114 T115 L116 A122P72-D118 HydrophobicContact CB-CB 4.33Å; K77-D118 IonicContact NZ-OD1 3Å; K77-D118 PolarHBondContact NZ-OD1 3.21Å; K77-D118 IonicContact NZ-OD2 2.81Å; K77-D118 PolarHBondContact NZ-OD2 3.39Å; F114-D118 HydrophobicContact CB-CB 4.2Å; T115-D118 PolarHBondContact N-OD2 3.37Å; T115-D118 WeakPolarHBondContact O-CB 3.3Å; T115-D118 PolarHBondContact O-N 3.04Å; T115-D118 VanDerWaalsContact O-N 3.16Å; T115-D118 VanDerWaalsContact OG1-CG 3.28Å; T115-D118 PolarHBondContact OG1-N 3.29Å; T115-D118 PolarHBondContact OG1-OD2 2.99Å; L116-D118 VanDerWaalsContact C-N 3.3Å; L116-D118 PolarHBondContact O-N 3.06Å; D118-A122 WeakPolarHBondContact O-CB 3.34Å; D118-A122 PolarHBondContact O-N 3.42Å; D118-A122 VanDerWaalsContact O-N 3.15Å
119V96.9Very high94.6Very high0 Ų051 Ų510%027%0.272CS..Hα-helixtrans-64.7-52.2173.6177.60000109.4P72 Q95 M98 Y99 F114 T115 L116 D117 A121 A122 F123P72-V119 HydrophobicContact CB-CG2 4.11Å; P72-V119 HydrophobicContact CG-CG2 3.99Å; Q95-V119 HydrophobicContact CG-CG1 4.25Å; M98-V119 HydrophobicContact CB-CG1 3.72Å; M98-V119 HydrophobicContact CB-CG2 3.91Å; Y99-V119 HydrophobicContact CE1-CG1 4.48Å; F114-V119 HydrophobicContact CD2-CG2 3.79Å; F114-V119 HydrophobicContact CE2-CG2 3.81Å; T115-V119 PolarHBondContact O-N 3.39Å; T115-V119 VanDerWaalsContact O-N 3.15Å; L116-V119 WeakPolarHBondContact O-CA 3.35Å; L116-V119 VanDerWaalsContact O-CB 3.32Å; L116-V119 WeakPolarHBondContact O-CB 3.36Å; L116-V119 PolarHBondContact O-N 3.38Å; L116-V119 VanDerWaalsContact O-N 3.08Å; D117-V119 VanDerWaalsContact C-N 3.29Å; D117-V119 PolarHBondContact O-N 2.88Å; V119-A121 PolarHBondContact O-N 3.15Å; V119-A122 PolarHBondContact O-N 2.98Å; V119-A122 VanDerWaalsContact O-N 3.15Å; V119-F123 HydrophobicContact CG1-CD2 3.85Å; V119-F123 HydrophobicContact CG1-CE2 4.07Å; V119-F123 VanDerWaalsContact O-CD2 3.29Å; V119-F123 WeakPolarHBondContact O-CD2 3.49Å; V119-F123 PolarHBondContact O-N 2.96Å
120D96.6Very high95Very high48 Ų4855.1 Ų55.126%0.25729%0.289SS..Hα-helixtrans-61.4-45.6-178.7-67.7-21.2000111.5Q95 Y99 L116 D117 A122 F123 D124Q95-D120 PolarHBondContact NE2-OD1 3.26Å; Q95-D120 VanDerWaalsContact NE2-OD1 3.11Å; Y99-D120 PolarHBondContact OH-OD1 3.15Å; L116-D120 PolarHBondContact O-N 2.88Å; D117-D120 PolarHBondContact O-N 3.16Å; D120-A122 PolarHBondContact O-N 3.21Å; D120-F123 PolarHBondContact O-N 3.21Å; D120-D124 WeakPolarHBondContact O-CB 3.33Å; D120-D124 VanDerWaalsContact O-CG 3.25Å; D120-D124 PolarHBondContact O-N 3.48Å
121A96Very high95.5Very high44 Ų4452.2 Ų52.236%0.36427%0.271SS..Hα-helixtrans-60.1-31.7177.100000113.7D117 V119D117-A121 VanDerWaalsContact O-CB 3.25Å; D117-A121 WeakPolarHBondContact O-CB 3Å; D117-A121 PolarHBondContact O-N 3.25Å; V119-A121 PolarHBondContact O-N 3.15Å
122A96.4Very high95.8Very high0 Ų055 Ų550%029%0.292CS..Hα-helixtrans-75.7-46.6175.800000112.1L71 V75 D118 V119 D120 K125L71-A122 HydrophobicContact CD2-CB 4.44Å; L71-A122 HydrophobicContact CG-CB 4.18Å; V75-A122 HydrophobicContact CB-CB 3.94Å; V75-A122 HydrophobicContact CG1-CB 4.39Å; V75-A122 HydrophobicContact CG2-CB 3.94Å; D118-A122 WeakPolarHBondContact O-CB 3.34Å; D118-A122 PolarHBondContact O-N 3.42Å; D118-A122 VanDerWaalsContact O-N 3.15Å; V119-A122 PolarHBondContact O-N 2.98Å; V119-A122 VanDerWaalsContact O-N 3.15Å; D120-A122 PolarHBondContact O-N 3.21Å; A122-K125 PolarHBondContact O-N 3.08Å
123F97.1Very high96.1Very high0 Ų053.7 Ų53.70%028%0.278CS..Hα-helixtrans-71.9-32.1-176.4-83.4-97.9000112.1L68 Y91 G94 Q95 M98 V119 D120 K125 I126L68-F123 HydrophobicContact CD1-CZ 4.08Å; L68-F123 HydrophobicContact CD2-CZ 4.21Å; Y91-F123 HydrophobicContact CD2-CB 4.24Å; Y91-F123 AromaticContact CD2-CD1 3.76Å; Y91-F123 HydrophobicContact CD2-CD1 3.76Å; Y91-F123 HydrophobicContact CD2-CG 4.5Å; Y91-F123 HydrophobicContact CE2-CB 3.84Å; Y91-F123 HydrophobicContact CE2-CD1 4.16Å; Y91-F123 WeakPolarHBondContact CE2-O 2.87Å; Y91-F123 VanDerWaalsContact O-CD1 3.25Å; Y91-F123 WeakPolarHBondContact O-CD1 3.14Å; Y91-F123 WeakPolarHBondContact O-CE1 3.38Å; G94-F123 VanDerWaalsContact C-CE1 3.48Å; Q95-F123 HydrophobicContact CB-CD1 3.84Å; Q95-F123 HydrophobicContact CB-CE1 4Å; Q95-F123 HydrophobicContact CB-CG 4.2Å; Q95-F123 HydrophobicContact CB-CZ 4.45Å; Q95-F123 HydrophobicContact CG-CD1 4.36Å; Q95-F123 HydrophobicContact CG-CG 4.22Å; M98-F123 HydrophobicContact CB-CE2 4.45Å; M98-F123 HydrophobicContact CG-CE2 3.88Å; M98-F123 HydrophobicContact CG-CZ 4.13Å; V119-F123 HydrophobicContact CG1-CD2 3.85Å; V119-F123 HydrophobicContact CG1-CE2 4.07Å; V119-F123 VanDerWaalsContact O-CD2 3.29Å; V119-F123 WeakPolarHBondContact O-CD2 3.49Å; V119-F123 PolarHBondContact O-N 2.96Å; D120-F123 PolarHBondContact O-N 3.21Å; F123-K125 PolarHBondContact O-N 3.11Å; F123-I126 HydrophobicContact CB-CD1 4.4Å; F123-I126 HydrophobicContact CD1-CD1 3.66Å; F123-I126 HydrophobicContact CE1-CD1 4.01Å; F123-I126 HydrophobicContact CG-CD1 4.04Å; F123-I126 VanDerWaalsContact O-CB 3.28Å; F123-I126 WeakPolarHBondContact O-CB 3.13Å; F123-I126 WeakPolarHBondContact O-CG1 3.03Å; F123-I126 PolarHBondContact O-N 3.15Å
124D95.9Very high96.3Very high119 Ų11957 Ų5764%0.63630%0.295SS*.THydrogen-bonded Turntrans-64-23.7176.6-75.8-14.8000113.8D120 I126D120-D124 WeakPolarHBondContact O-CB 3.33Å; D120-D124 VanDerWaalsContact O-CG 3.25Å; D120-D124 PolarHBondContact O-N 3.48Å; D124-I126 VanDerWaalsContact C-N 3.29Å
125K95.3Very high96.4Very high95 Ų9558 Ų5841%0.41330%0.301SS..THydrogen-bonded Turntrans-81.5-6.5175.3-66.9-178.8-176.5177.10113.5V75 L80 I84 A122 F123V75-K125 HydrophobicContact CG1-CD 3.97Å; L80-K125 PolarHBondContact O-NZ 3.42Å; I84-K125 HydrophobicContact CD1-CB 4.11Å; A122-K125 PolarHBondContact O-N 3.08Å; F123-K125 PolarHBondContact O-N 3.11Å
126I97.9Very high96.5Very high11 Ų1161.1 Ų61.16%0.05632%0.316CS..EExtended strand (participates in β ladder)trans-79124.1-175.7-59.6-177.1000110.8L60 L71 I84 A86 Y91 F123 D124 Q128L60-I126 HydrophobicContact CD1-CD1 4.02Å; L71-I126 HydrophobicContact CD2-CD1 4.08Å; I84-I126 HydrophobicContact CB-CG1 4.02Å; I84-I126 HydrophobicContact CD1-CG1 4.37Å; I84-I126 HydrophobicContact CG2-CD1 4.27Å; I84-I126 HydrophobicContact CG2-CG1 3.75Å; I84-I126 HydrophobicContact CG2-CG2 4.5Å; I84-I126 CarbonylContact O-C 3.52Å; I84-I126 WeakPolarHBondContact O-CA 3.31Å; A86-I126 HydrophobicContact CB-CG2 3.69Å; Y91-I126 HydrophobicContact CD2-CB 4Å; Y91-I126 HydrophobicContact CD2-CD1 4.23Å; Y91-I126 HydrophobicContact CD2-CG2 4.25Å; F123-I126 HydrophobicContact CB-CD1 4.4Å; F123-I126 HydrophobicContact CD1-CD1 3.66Å; F123-I126 HydrophobicContact CE1-CD1 4.01Å; F123-I126 HydrophobicContact CG-CD1 4.04Å; F123-I126 VanDerWaalsContact O-CB 3.28Å; F123-I126 WeakPolarHBondContact O-CB 3.13Å; F123-I126 WeakPolarHBondContact O-CG1 3.03Å; F123-I126 PolarHBondContact O-N 3.15Å; D124-I126 VanDerWaalsContact C-N 3.29Å; I126-Q128 PolarHBondContact O-N 2.57Å
127Q97.8Very high96.4Very high94 Ų9458.9 Ų58.944%0.43930%0.304SS..EExtended strand (participates in β ladder)trans-83.3112168.8-61.9-173.916.600109.4I84 Y85 A86I84-Q127 PolarHBondContact O-N 2.95Å; Y85-Q127 HydrophobicContact CD1-CB 3.95Å; Y85-Q127 HydrophobicContact CE1-CB 4.1Å; Y85-Q127 HydrophobicContact CE1-CG 4.48Å; A86-Q127 PolarHBondContact N-O 3.1Å
128Q98Very high96.1Very high89 Ų8962 Ų6242%0.41631%0.312SS..EExtended strand (participates in β ladder)trans-80124.1-176.2-62.9165.25100111A86 I88 Y91 I126A86-Q128 CarbonylContact O-C 3.42Å; A86-Q128 WeakPolarHBondContact O-CA 3.05Å; I88-Q128 HydrophobicContact CG1-CB 4.07Å; Y91-Q128 VanDerWaalsContact CD1-CD 3.41Å; Y91-Q128 HydrophobicContact CD1-CG 3.79Å; Y91-Q128 HydrophobicContact CD2-CG 4.46Å; Y91-Q128 HydrophobicContact CE1-CG 4.38Å; Y91-Q128 VanDerWaalsContact CE1-NE2 3.3Å; Y91-Q128 HydrophobicContact CG-CG 3.84Å; I126-Q128 PolarHBondContact O-N 2.57Å
129L98.1Very high95.8Very high6 Ų664.3 Ų64.33%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-112.1160.8-178.8-55.4-170.9000112.5Y85 A86 T87 I88 V135 I146 P148 W160 W286Y85-L129 HydrophobicContact CD1-CD1 4.06Å; Y85-L129 HydrophobicContact CD1-CD2 4.33Å; Y85-L129 HydrophobicContact CD1-CG 4.39Å; A86-L129 PolarHBondContact O-N 3.36Å; T87-L129 VanDerWaalsContact CA-O 3.29Å; T87-L129 WeakPolarHBondContact CA-O 3.07Å; I88-L129 PolarHBondContact N-O 3.41Å; L129-V135 HydrophobicContact CD1-CG2 3.88Å; L129-V135 HydrophobicContact CD2-CG2 3.6Å; L129-V135 HydrophobicContact CG-CG2 4.41Å; L129-I146 HydrophobicContact CD1-CD1 4.38Å; L129-P148 HydrophobicContact CB-CG 4.09Å; L129-P148 HydrophobicContact CD1-CG 4.21Å; L129-W160 HydrophobicContact CD1-CH2 3.76Å; L129-W160 HydrophobicContact CD1-CZ3 3.89Å; L129-W286 VanDerWaalsContact O-CH2 3.3Å; L129-W286 WeakPolarHBondContact O-CH2 3.47Å
130K97.8Very high95.2Very high125 Ų12571.5 Ų71.554%0.54337%0.37SS..  trans-103154.7167.4-68-177.1179.8-179.70111.1I88 S132 Q133 P148 W286I88-K130 HydrophobicContact CD1-CG 4.21Å; K130-S132 PolarHBondContact O-N 3.29Å; K130-Q133 HydrophobicContact CB-CB 4.43Å; K130-Q133 WeakPolarHBondContact O-CB 3.44Å; K130-Q133 PolarHBondContact O-N 3.09Å; K130-P148 VanDerWaalsContact O-CG 3.28Å; K130-P148 WeakPolarHBondContact O-CG 3.42Å; K130-W286 HydrophobicContact CG-CZ2 4.15Å
131F96.5Very high94.6Very high59 Ų5969.2 Ų69.226%0.25936%0.358SS..THydrogen-bonded Turntrans-56.2142.2172.3-69.2-50.6000111.4T87 Q133 P148 P150 T158 W286T87-F131 HydrophobicContact CG2-CD1 4.26Å; T87-F131 HydrophobicContact CG2-CE1 4.14Å; F131-Q133 PolarHBondContact O-N 3.07Å; F131-Q133 VanDerWaalsContact O-N 3.1Å; F131-P148 WeakPolarHBondContact CA-O 3.4Å; F131-P150 HydrophobicContact CD1-CB 4.29Å; F131-P150 HydrophobicContact CD2-CB 4.38Å; F131-P150 VanDerWaalsContact CE1-CA 3.46Å; F131-P150 HydrophobicContact CE1-CB 3.96Å; F131-P150 HydrophobicContact CE2-CB 4.03Å; F131-P150 HydrophobicContact CZ-CB 3.83Å; F131-T158 HydrophobicContact CD1-CG2 4.48Å; F131-T158 HydrophobicContact CE1-CG2 3.89Å; F131-W286 HydrophobicContact CD1-CZ3 4.08Å; F131-W286 AromaticContact CD2-CE3 3.54Å; F131-W286 HydrophobicContact CD2-CE3 3.54Å; F131-W286 HydrophobicContact CD2-CH2 4.45Å; 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 4.02Å; F131-W286 HydrophobicContact CE2-CD2 4.41Å; F131-W286 AromaticContact CE2-CE3 3.21Å; F131-W286 HydrophobicContact CE2-CE3 3.21Å; F131-W286 AromaticContact CE2-CZ3 3.39Å; F131-W286 HydrophobicContact CE2-CZ3 3.39Å; F131-W286 HydrophobicContact CG-CE3 4.35Å; F131-W286 AromaticContact CG-CZ3 3.79Å; F131-W286 HydrophobicContact CG-CZ3 3.79Å; F131-W286 AromaticContact CZ-CE3 3.77Å; F131-W286 HydrophobicContact CZ-CE3 3.77Å; F131-W286 AromaticContact CZ-CZ3 3.69Å; F131-W286 HydrophobicContact CZ-CZ3 3.69Å
132S94.8Very high94.3Very high70 Ų7073.9 Ų73.949%0.4937%0.372SS..THydrogen-bonded Turntrans60.811.4-178-52.80000115K130 I134 P148K130-S132 PolarHBondContact O-N 3.29Å; S132-I134 PolarHBondContact O-N 3.02Å; S132-P148 PolarHBondContact N-O 3.39Å
133Q96.3Very high93.9Very high79 Ų7974.4 Ų74.437%0.36938%0.377SS..  trans-75.3120.6171-177.1-178.6-13.600109.6K130 F131 V135 P148K130-Q133 HydrophobicContact CB-CB 4.43Å; K130-Q133 WeakPolarHBondContact O-CB 3.44Å; K130-Q133 PolarHBondContact O-N 3.09Å; F131-Q133 PolarHBondContact O-N 3.07Å; F131-Q133 VanDerWaalsContact O-N 3.1Å; Q133-V135 HydrophobicContact CG-CG2 4.28Å; Q133-P148 VanDerWaalsContact O-CD 3.31Å; Q133-P148 WeakPolarHBondContact O-CD 3.33Å
134I96Very high93.7Very high111 Ų11174.5 Ų74.557%0.56938%0.378SS*.  trans-84.1124.1174.6-54.4175.7000108.3S132S132-I134 PolarHBondContact O-N 3.02Å
135V96.9Very high93.7Very high23 Ų2369.6 Ų69.614%0.13935%0.353CS..EExtended strand (participates in β ladder)trans-116115.5174.7-179.90000108.7Y85 L129 Q133 S145 I146Y85-V135 HydrophobicContact CE1-CG1 3.98Å; L129-V135 HydrophobicContact CD1-CG2 3.88Å; L129-V135 HydrophobicContact CD2-CG2 3.6Å; L129-V135 HydrophobicContact CG-CG2 4.41Å; Q133-V135 HydrophobicContact CG-CG2 4.28Å; V135-S145 VanDerWaalsContact O-CA 3.29Å; V135-S145 WeakPolarHBondContact O-CA 3.41Å; V135-I146 HydrophobicContact CB-CD1 4.26Å; V135-I146 HydrophobicContact CB-CG1 3.72Å; V135-I146 HydrophobicContact CG1-CD1 4.49Å; V135-I146 HydrophobicContact CG1-CG1 4.35Å; V135-I146 PolarHBondContact N-O 3.41Å; V135-I146 PolarHBondContact O-N 3.13Å
136N95.5Very high93.8Very high114 Ų11465 Ų6561%0.6133%0.333SS*.EExtended strand (participates in β ladder)trans-85.7123.2175.6-61.6-27.4000109.3S145N136-S145 WeakPolarHBondContact OD1-CB 3.43Å
137L93.6Very high93.7Very high9 Ų965 Ų655%0.04733%0.333CS..  trans-75.9149.7179.9-60.7-179.2000110.9F28 F30 Y85 L144 I146F28-L137 HydrophobicContact CE1-CD1 3.87Å; F28-L137 HydrophobicContact CE2-CD1 4.44Å; F28-L137 HydrophobicContact CZ-CD1 3.77Å; F30-L137 HydrophobicContact CE1-CD1 3.57Å; F30-L137 HydrophobicContact CZ-CD1 3.44Å; F30-L137 VanDerWaalsContact CZ-CD1 3.44Å; Y85-L137 HydrophobicContact CE2-CD2 3.89Å; Y85-L137 WeakPolarHBondContact OH-CD2 3.48Å; L137-L144 HydrophobicContact CB-CB 4.38Å; L137-L144 HydrophobicContact CD1-CB 3.96Å; L137-L144 HydrophobicContact CG-CB 4.43Å; L137-L144 PolarHBondContact N-O 2.99Å; L137-I146 HydrophobicContact CD1-CG2 4.34Å; L137-I146 HydrophobicContact CD2-CD1 4.36Å
138K89.1Confident93.7Very high191 Ų19160.5 Ų60.583%0.8331%0.312SS*.  trans-111.6165.1-178.9-61-173.2180-175.80110.7
139G89.1Confident93.6Very high63 Ų6356.7 Ų56.765%0.64929%0.294SS*.G310 helixtrans71.2-131.1178.200000112.1G141 H142G139-G141 PolarHBondContact O-N 2.92Å; G139-G141 VanDerWaalsContact O-N 3.12Å; G139-H142 WeakPolarHBondContact O-CB 3.38Å; G139-H142 PolarHBondContact O-N 2.9Å
140K85.4Confident93.6Very high151 Ų15158 Ų5866%0.65730%0.303SS*.G310 helixtrans-58.7-24.7179.8-61.9-178.8-172.8169.50113.5F28 D56 H142F28-K140 HydrophobicContact CD2-CB 4.22Å; D56-K140 IonicContact OD1-NZ 2.82Å; K140-H142 VanDerWaalsContact C-N 3.26Å; K140-H142 PolarHBondContact O-N 3.49Å
141G84.1Confident93.5Very high0 Ų052 Ų520%028%0.277CS..G310 helixtrans-86.718.1177.800000114G139 G143 L144G139-G141 PolarHBondContact O-N 2.92Å; G139-G141 VanDerWaalsContact O-N 3.12Å; G141-G143 PolarHBondContact O-N 3.18Å; G141-L144 VanDerWaalsContact O-CB 3.3Å; G141-L144 WeakPolarHBondContact O-CB 3.26Å; G141-L144 PolarHBondContact O-N 3.25Å
142H88.4Confident93.4Very high143 Ų14349.5 Ų49.566%0.66227%0.268SS*.THydrogen-bonded Turntrans-57.3135.7-179.1-169.766.8000111.7G139 K140 L144 K164G139-H142 WeakPolarHBondContact O-CB 3.38Å; G139-H142 PolarHBondContact O-N 2.9Å; K140-H142 VanDerWaalsContact C-N 3.26Å; K140-H142 PolarHBondContact O-N 3.49Å; H142-L144 VanDerWaalsContact C-N 3.27Å; H142-L144 PolarHBondContact O-N 2.84Å; H142-K164 PolarHBondContact O-NZ 3.31Å
143G87.7Confident93.4Very high10 Ų1046.1 Ų46.110%0.10325%0.245CC..THydrogen-bonded Turntrans72.810.9-172.900000115.4G141 K164 D165G141-G143 PolarHBondContact O-N 3.18Å; G143-K164 CarbonylContact O-C 3.59Å; G143-K164 WeakPolarHBondContact O-CA 3.45Å; G143-D165 VanDerWaalsContact CA-CG 3.44Å; G143-D165 WeakPolarHBondContact CA-OD2 3.18Å; G143-D165 PolarHBondContact O-N 3.29Å
144L94.2Very high93.4Very high3 Ų342.5 Ų42.52%0.01623%0.228CC..EExtended strand (participates in β ladder)trans-98.2134.8165.3-68.7167.5000109.9V25 F28 F30 L137 G141 H142 I162 V163 K164V25-L144 HydrophobicContact CB-CD2 4.34Å; V25-L144 HydrophobicContact CG1-CD2 3.82Å; F28-L144 HydrophobicContact CB-CD1 3.77Å; F28-L144 HydrophobicContact CD1-CD1 3.88Å; F28-L144 HydrophobicContact CG-CD1 3.8Å; F30-L144 HydrophobicContact CE2-CD1 3.93Å; F30-L144 HydrophobicContact CZ-CD1 4.06Å; L137-L144 HydrophobicContact CB-CB 4.38Å; L137-L144 HydrophobicContact CD1-CB 3.96Å; L137-L144 HydrophobicContact CG-CB 4.43Å; L137-L144 PolarHBondContact N-O 2.99Å; G141-L144 VanDerWaalsContact O-CB 3.3Å; G141-L144 WeakPolarHBondContact O-CB 3.26Å; G141-L144 PolarHBondContact O-N 3.25Å; H142-L144 VanDerWaalsContact C-N 3.27Å; H142-L144 PolarHBondContact O-N 2.84Å; L144-I162 HydrophobicContact CD2-CG2 4.42Å; L144-V163 CarbonylContact C-O 3.48Å; L144-V163 WeakPolarHBondContact CA-O 3.23Å; L144-K164 HydrophobicContact CD2-CB 3.91Å; L144-K164 HydrophobicContact CD2-CD 3.53Å; L144-K164 HydrophobicContact CD2-CG 4.32Å; L144-K164 HydrophobicContact CG-CD 3.91Å
145S95.6Very high93.4Very high15 Ų1537.2 Ų37.211%0.10520%0.201CC..EExtended strand (participates in β ladder)trans-124.1142.3170.7650000110.6V135 N136 I162 V163V135-S145 VanDerWaalsContact O-CA 3.29Å; V135-S145 WeakPolarHBondContact O-CA 3.41Å; N136-S145 WeakPolarHBondContact OD1-CB 3.43Å; S145-I162 WeakPolarHBondContact O-CA 3.31Å; S145-V163 PolarHBondContact N-O 2.66Å; S145-V163 PolarHBondContact O-N 2.75Å; S145-V163 PolarHBondContact OG-O 2.68Å
146I97.1Very high93.4Very high0 Ų036.2 Ų36.20%019%0.194CC..EExtended strand (participates in β ladder)trans-115.8142.8175.763.6177.1000109.4F30 L59 Y85 L129 V135 L137 W160 K161 I162F30-I146 HydrophobicContact CE1-CG2 3.92Å; F30-I146 HydrophobicContact CZ-CG2 4.14Å; L59-I146 HydrophobicContact CD1-CG2 4.42Å; L59-I146 HydrophobicContact CD2-CD1 3.82Å; L59-I146 HydrophobicContact CD2-CG2 4.47Å; Y85-I146 HydrophobicContact CD1-CD1 3.73Å; Y85-I146 HydrophobicContact CD2-CD1 3.69Å; Y85-I146 HydrophobicContact CE1-CD1 4.08Å; Y85-I146 HydrophobicContact CE2-CD1 4.05Å; Y85-I146 HydrophobicContact CG-CD1 3.51Å; L129-I146 HydrophobicContact CD1-CD1 4.38Å; V135-I146 HydrophobicContact CB-CD1 4.26Å; V135-I146 HydrophobicContact CB-CG1 3.72Å; V135-I146 HydrophobicContact CG1-CD1 4.49Å; V135-I146 HydrophobicContact CG1-CG1 4.35Å; V135-I146 PolarHBondContact N-O 3.41Å; V135-I146 PolarHBondContact O-N 3.13Å; L137-I146 HydrophobicContact CD1-CG2 4.34Å; L137-I146 HydrophobicContact CD2-CD1 4.36Å; I146-W160 HydrophobicContact CB-CE3 4.3Å; I146-W160 HydrophobicContact CB-CZ3 4.28Å; I146-W160 HydrophobicContact CD1-CZ3 3.98Å; I146-W160 HydrophobicContact CG1-CZ3 4.29Å; I146-K161 CarbonylContact C-O 3.55Å; I146-K161 WeakPolarHBondContact CA-O 3.38Å; I146-I162 HydrophobicContact CG2-CG1 4.37Å
147T96.8Very high93.4Very high9 Ų930.8 Ų30.86%0.05517%0.166CC..EExtended strand (participates in β ladder)trans-141.3117.4177.3-54.50000109.6L149 K161T147-L149 HydrophobicContact CG2-CD2 4.33Å; T147-K161 PolarHBondContact N-O 3.12Å; T147-K161 PolarHBondContact O-N 2.93Å
148P97.3Very high93.6Very high0 Ų030.4 Ų30.40%016%0.164CC..EExtended strand (participates in β ladder)trans-81.1129.4174.531.7-31.7000110.5T87 L129 K130 F131 S132 Q133 T158 W160T87-P148 HydrophobicContact CG2-CB 4.11Å; T87-P148 HydrophobicContact CG2-CG 4.35Å; L129-P148 HydrophobicContact CB-CG 4.09Å; L129-P148 HydrophobicContact CD1-CG 4.21Å; K130-P148 VanDerWaalsContact O-CG 3.28Å; K130-P148 WeakPolarHBondContact O-CG 3.42Å; F131-P148 WeakPolarHBondContact CA-O 3.4Å; S132-P148 PolarHBondContact N-O 3.39Å; Q133-P148 VanDerWaalsContact O-CD 3.31Å; Q133-P148 WeakPolarHBondContact O-CD 3.33Å; P148-T158 HydrophobicContact CB-CG2 3.71Å; P148-W160 HydrophobicContact CB-CE3 4.22Å; P148-W160 HydrophobicContact CB-CH2 4.15Å; P148-W160 HydrophobicContact CB-CZ3 3.96Å; P148-W160 HydrophobicContact CG-CZ3 4.28Å
149L96.4Very high94Very high9 Ų921.3 Ų21.35%0.04712%0.124CC..EExtended strand (participates in β ladder)trans-112.3151.6174.3-61.3178.3000110T147 A151 T158 I159 K161 L192T147-L149 HydrophobicContact CG2-CD2 4.33Å; L149-A151 PolarHBondContact O-N 2.8Å; L149-T158 CarbonylContact O-C 3.59Å; L149-T158 VanDerWaalsContact O-CA 3.23Å; L149-T158 WeakPolarHBondContact O-CA 3.45Å; L149-I159 HydrophobicContact CB-CB 4.29Å; L149-I159 PolarHBondContact N-O 2.98Å; L149-I159 PolarHBondContact O-N 3.07Å; L149-K161 HydrophobicContact CD1-CB 4.39Å; L149-L192 HydrophobicContact CD1-CD1 4.35Å; L149-L192 HydrophobicContact CD1-CD2 3.79Å; L149-L192 HydrophobicContact CD1-CG 4.11Å
150P96.8Very high94.4Very high33 Ų3318.3 Ų18.321%0.2149%0.093CC..EExtended strand (participates in β ladder)trans-66129.3179.125.8-35.9000113F131 C187 S188F131-P150 HydrophobicContact CD1-CB 4.29Å; F131-P150 HydrophobicContact CD2-CB 4.38Å; F131-P150 VanDerWaalsContact CE1-CA 3.46Å; F131-P150 HydrophobicContact CE1-CB 3.96Å; F131-P150 HydrophobicContact CE2-CB 4.03Å; F131-P150 HydrophobicContact CZ-CB 3.83Å; P150-C187 VanDerWaalsContact O-CA 3.22Å; P150-C187 WeakPolarHBondContact O-CA 3.47Å; P150-C187 WeakPolarHBondContact O-CB 3.5Å; P150-S188 VanDerWaalsContact CD-OG 3.26Å; P150-S188 WeakPolarHBondContact CD-OG 3.31Å; P150-S188 WeakPolarHBondContact CG-OG 3.48Å; P150-S188 PolarHBondContact O-N 3.19Å
151A96.3Very high94.9Very high0 Ų013.2 Ų13.20%07%0.071CC..  trans-90.8-27.9175.100000113.8L149 H153 G157 I159 F176 N177 C187L149-A151 PolarHBondContact O-N 2.8Å; A151-H153 VanDerWaalsContact C-N 3.35Å; A151-H153 PolarHBondContact O-N 3.11Å; A151-G157 WeakPolarHBondContact CB-O 3.34Å; A151-G157 PolarHBondContact N-O 3.28Å; A151-I159 HydrophobicContact CB-CD1 4.35Å; A151-I159 HydrophobicContact CB-CG1 3.93Å; A151-F176 HydrophobicContact CB-CB 4.4Å; A151-N177 PolarHBondContact O-N 3.09Å; A151-C187 WeakPolarHBondContact O-CB 3.41Å
152G94.3Very high95.5Very high6 Ų613.3 Ų13.36%0.0627%0.071CC..SBendtrans78.65.7175.500000116.5N177 N185G152-N177 WeakPolarHBondContact O-CB 3.48Å; G152-N177 PolarHBondContact O-ND2 3.09Å; G152-N185 WeakPolarHBondContact CA-O 3.49Å
153H95.7Very high95.6Very high0 Ų07.8 Ų7.80%05%0.048CC..SBendtrans-87.1-56.9-179.2172.160.1000113.4H62 A151 D175 R242 E541 G542H62-H153 AromaticContact CD2-CD2 3.77Å; H62-H153 AromaticContact NE2-CD2 3.96Å; A151-H153 VanDerWaalsContact C-N 3.35Å; A151-H153 PolarHBondContact O-N 3.11Å; H153-D175 WeakPolarHBondContact CB-O 3.4Å; H153-R242 WeakPolarHBondContact O-CD 3.35Å; H153-R242 PolarHBondContact O-NH1 2.95Å; H153-E541 PolarHBondContact CE1-O 2.83Å; H153-E541 PolarHBondContact ND1-O 2.88Å; H153-G542 WeakPolarHBondContact CA-O 3.39Å; H153-G542 PolarHBondContact ND1-O 3.47Å
154M96.3Very high95.7Very high3 Ų39.2 Ų9.22%0.0155%0.051CC..SBendtrans-122.7163.9172.3-64.6-170.4-172.800110.5P63 D64 F97 G156 G157 L184 R242P63-M154 HydrophobicContact CG-CB 4.04Å; P63-M154 HydrophobicContact CG-SD 3.89Å; D64-M154 HydrophobicContact CB-CE 3.84Å; D64-M154 HydrophobicContact CB-SD 3.99Å; F97-M154 HydrophobicContact CZ-SD 4.41Å; M154-G156 PolarHBondContact O-N 3.48Å; M154-G157 PolarHBondContact O-N 2.87Å; M154-L184 VanDerWaalsContact C-CD1 3.45Å; M154-R242 HydrophobicContact CE-CG 4.36Å
155I95.8Very high95.2Very high0 Ų014.3 Ų14.30%08%0.078CC..THydrogen-bonded Turntrans-57.9127.2178.4-172.563.7000110.7P89 M93 G157 L184 L244 W286 M287P89-I155 HydrophobicContact CB-CG1 3.92Å; P89-I155 HydrophobicContact CB-CG2 4.35Å; P89-I155 HydrophobicContact CG-CG1 4.32Å; M93-I155 HydrophobicContact CB-CG2 4.5Å; M93-I155 HydrophobicContact CE-CG2 4.44Å; M93-I155 HydrophobicContact CG-CG2 3.74Å; I155-G157 PolarHBondContact O-N 3.36Å; I155-L184 HydrophobicContact CB-CD2 4.49Å; I155-L184 HydrophobicContact CD1-CD2 3.73Å; I155-L244 HydrophobicContact CB-CD1 4.35Å; I155-L244 HydrophobicContact CG2-CD1 3.96Å; I155-W286 HydrophobicContact CD1-CB 3.74Å; I155-M287 HydrophobicContact CD1-CE 4.29Å; I155-M287 HydrophobicContact CD1-CG 3.77Å
156G95.2Very high94Very high1 Ų116.5 Ų16.51%0.0110%0.103CC..THydrogen-bonded Turntrans70.11.5-174.800000115.8T87 V90 M154 T158T87-G156 PolarHBondContact OG1-O 2.72Å; V90-G156 WeakPolarHBondContact CG2-O 3.29Å; M154-G156 PolarHBondContact O-N 3.48Å; G156-T158 WeakPolarHBondContact O-CG2 3.49Å
157G97.1Very high92.9Very high1 Ų118.5 Ų18.51%0.0111%0.113CC..  trans-54.4137.1178.800000112.4S61 A151 M154 I155S61-G157 CarbonylContact O-C 3.4Å; S61-G157 WeakPolarHBondContact O-CA 3.24Å; A151-G157 WeakPolarHBondContact CB-O 3.34Å; A151-G157 PolarHBondContact N-O 3.28Å; M154-G157 PolarHBondContact O-N 2.87Å; I155-G157 PolarHBondContact O-N 3.36Å
158T97.3Very high91.8Very high0 Ų021.1 Ų21.10%012%0.124CC..EExtended strand (participates in β ladder)trans-123144.2-168.9580000114.5L60 S61 T87 F131 P148 L149 G156 W160L60-T158 PolarHBondContact O-OG1 2.54Å; S61-T158 VanDerWaalsContact CA-OG1 3.29Å; S61-T158 WeakPolarHBondContact CA-OG1 3.45Å; S61-T158 PolarHBondContact O-N 3.21Å; S61-T158 PolarHBondContact O-OG1 2.69Å; S61-T158 VanDerWaalsContact O-OG1 3.08Å; T87-T158 HydrophobicContact CG2-CG2 3.22Å; F131-T158 HydrophobicContact CD1-CG2 4.48Å; F131-T158 HydrophobicContact CE1-CG2 3.89Å; P148-T158 HydrophobicContact CB-CG2 3.71Å; L149-T158 CarbonylContact O-C 3.59Å; L149-T158 VanDerWaalsContact O-CA 3.23Å; L149-T158 WeakPolarHBondContact O-CA 3.45Å; G156-T158 WeakPolarHBondContact O-CG2 3.49Å; T158-W160 PolarHBondContact OG1-NE1 2.93Å; T158-W160 VanDerWaalsContact OG1-NE1 3.14Å
159I97.3Very high91.4Very high0 Ų022.9 Ų22.90%013%0.133CC..EExtended strand (participates in β ladder)trans-101.9127.9159.1-66.7164.3000106.1L149 A151 V171 Y172 A173 F176 C187 L189L149-I159 HydrophobicContact CB-CB 4.29Å; L149-I159 PolarHBondContact N-O 2.98Å; L149-I159 PolarHBondContact O-N 3.07Å; A151-I159 HydrophobicContact CB-CD1 4.35Å; A151-I159 HydrophobicContact CB-CG1 3.93Å; I159-V171 HydrophobicContact CG2-CG1 3.75Å; I159-Y172 CarbonylContact C-O 3.54Å; I159-Y172 WeakPolarHBondContact CA-O 3.42Å; I159-Y172 WeakPolarHBondContact CG2-O 3.49Å; 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 3.69Å; I159-F176 HydrophobicContact CD1-CB 3.97Å; I159-F176 HydrophobicContact CG1-CB 4.42Å; I159-C187 HydrophobicContact CD1-CB 4.04Å; I159-L189 HydrophobicContact CD1-CD1 4.29Å; I159-L189 HydrophobicContact CD1-CD2 3.72Å; I159-L189 HydrophobicContact CD1-CG 3.77Å; I159-L189 HydrophobicContact CG2-CD2 4.28Å
160W97.7Very high91.3Very high0 Ų022.8 Ų22.80%013%0.132CC..EExtended strand (participates in β ladder)trans-93.3123.3-179.1-7297000110.7L59 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 4.28Å; L59-W160 HydrophobicContact CD1-CB 4.22Å; L59-W160 HydrophobicContact CD1-CD2 4.02Å; L59-W160 HydrophobicContact CD1-CE3 4.16Å; L59-W160 HydrophobicContact CD1-CG 4.06Å; L59-W160 HydrophobicContact CD2-CD2 4.34Å; L59-W160 HydrophobicContact CD2-CE3 4.15Å; L59-W160 HydrophobicContact CD2-CH2 4.21Å; L59-W160 HydrophobicContact CD2-CZ2 4.41Å; L59-W160 HydrophobicContact CD2-CZ3 4.09Å; L59-W160 HydrophobicContact CG-CD2 4.36Å; L60-W160 WeakPolarHBondContact O-CZ2 3.38Å; L60-W160 PolarHBondContact O-NE1 2.93Å; Y85-W160 WeakPolarHBondContact O-CZ2 2.99Å; L129-W160 HydrophobicContact CD1-CH2 3.76Å; L129-W160 HydrophobicContact CD1-CZ3 3.89Å; I146-W160 HydrophobicContact CB-CE3 4.3Å; I146-W160 HydrophobicContact CB-CZ3 4.28Å; I146-W160 HydrophobicContact CD1-CZ3 3.98Å; I146-W160 HydrophobicContact CG1-CZ3 4.29Å; P148-W160 HydrophobicContact CB-CE3 4.22Å; P148-W160 HydrophobicContact CB-CH2 4.15Å; P148-W160 HydrophobicContact CB-CZ3 3.96Å; P148-W160 HydrophobicContact CG-CZ3 4.28Å; T158-W160 PolarHBondContact OG1-NE1 2.93Å; T158-W160 VanDerWaalsContact OG1-NE1 3.14Å; W160-V171 WeakPolarHBondContact O-CA 3.46Å; W160-Y172 PolarHBondContact N-O 3.45Å; W160-Y172 PolarHBondContact O-N 2.91Å
161K95.9Very high91.3Very high45 Ų4521.2 Ų21.220%0.19612%0.122CC..EExtended strand (participates in β ladder)trans-101116.6168.6-170.3-177.787.1149.30108.8I146 T147 L149 V163 E169 L192I146-K161 CarbonylContact C-O 3.55Å; I146-K161 WeakPolarHBondContact CA-O 3.38Å; T147-K161 PolarHBondContact N-O 3.12Å; T147-K161 PolarHBondContact O-N 2.93Å; L149-K161 HydrophobicContact CD1-CB 4.39Å; K161-V163 HydrophobicContact CD-CG2 4.39Å; K161-V163 HydrophobicContact CG-CG2 4.09Å; K161-E169 WeakPolarHBondContact CD-OE1 3.47Å; K161-E169 WeakPolarHBondContact CE-OE1 3.18Å; K161-E169 HydrophobicContact CG-CB 4.44Å; K161-E169 IonicContact NZ-OE1 3.05Å; K161-E169 PolarHBondContact NZ-OE1 2.85Å; K161-L192 HydrophobicContact CD-CD2 3.58Å; K161-L192 HydrophobicContact CG-CD2 4.05Å
162I95.6Very high91.4Very high1 Ų121.2 Ų21.21%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-111.1123.6179.6-54.6169.9000107.1L23 F30 L32 L59 L144 S145 I146 I170L23-I162 HydrophobicContact CD2-CD1 3.66Å; F30-I162 HydrophobicContact CD2-CD1 4.4Å; F30-I162 HydrophobicContact CE2-CG2 4Å; F30-I162 HydrophobicContact CZ-CG2 4.16Å; L32-I162 HydrophobicContact CD2-CD1 4.25Å; L59-I162 HydrophobicContact CD1-CD1 3.82Å; L59-I162 HydrophobicContact CD1-CG1 4.15Å; L144-I162 HydrophobicContact CD2-CG2 4.42Å; S145-I162 WeakPolarHBondContact O-CA 3.31Å; I146-I162 HydrophobicContact CG2-CG1 4.37Å; I162-I170 HydrophobicContact CB-CB 4.25Å; I162-I170 PolarHBondContact N-O 3.4Å; I162-I170 PolarHBondContact O-N 3.06Å
163V92.5Very high91.4Very high28 Ų2821 Ų2117%0.1712%0.119CC..EExtended strand (participates in β ladder)trans-125.6128.8-177.3-173.90000109L144 S145 K161 E169L144-V163 CarbonylContact C-O 3.48Å; L144-V163 WeakPolarHBondContact CA-O 3.23Å; S145-V163 PolarHBondContact N-O 2.66Å; S145-V163 PolarHBondContact O-N 2.75Å; S145-V163 PolarHBondContact OG-O 2.68Å; K161-V163 HydrophobicContact CD-CG2 4.39Å; K161-V163 HydrophobicContact CG-CG2 4.09Å; V163-E169 HydrophobicContact CG2-CB 4.33Å; V163-E169 HydrophobicContact CG2-CG 3.94Å
164K87.9Confident91.4Very high40 Ų4021 Ų2117%0.17412%0.119CC..EExtended strand (participates in β ladder)trans-97.1140.4169.9-178.774.9-176.8-178.50109.1D26 H142 G143 L144 G166 E167D26-K164 IonicContact OD2-NZ 2.77Å; H142-K164 PolarHBondContact O-NZ 3.31Å; G143-K164 CarbonylContact O-C 3.59Å; G143-K164 WeakPolarHBondContact O-CA 3.45Å; L144-K164 HydrophobicContact CD2-CB 3.91Å; L144-K164 HydrophobicContact CD2-CD 3.53Å; L144-K164 HydrophobicContact CD2-CG 4.32Å; L144-K164 HydrophobicContact CG-CD 3.91Å; K164-G166 PolarHBondContact O-N 2.84Å; K164-E167 HydrophobicContact CB-CB 4.12Å; K164-E167 HydrophobicContact CB-CG 4.39Å; K164-E167 HydrophobicContact CG-CG 4.26Å; K164-E167 PolarHBondContact O-N 3.19Å
165D83.5Confident91.4Very high109 Ų10920.9 Ų20.958%0.58312%0.119SC*.THydrogen-bonded Turntrans-54.1126.3179.3-73-11.1000111.7G143 E167G143-D165 VanDerWaalsContact CA-CG 3.44Å; G143-D165 WeakPolarHBondContact CA-OD2 3.18Å; G143-D165 PolarHBondContact O-N 3.29Å; D165-E167 PolarHBondContact O-N 3.39Å
166G71.6Confident91.4Very high61 Ų6121.2 Ų21.263%0.62912%0.12SC*.THydrogen-bonded Turntrans74.31.4-179.300000115.1K164 I605K164-G166 PolarHBondContact O-N 2.84Å; G166-I605 WeakPolarHBondContact O-CD1 3.36Å; G166-I605 VanDerWaalsContact O-CG2 3.26Å; G166-I605 WeakPolarHBondContact O-CG2 3.42Å
167E73.5Confident91.4Very high42 Ų4221.2 Ų21.220%0.19612%0.12CC..SBendtrans-114.7172.4178-60.6-157.8151.700113.7S3 K164 D165S3-E167 VanDerWaalsContact CB-CD 3.47Å; S3-E167 VanDerWaalsContact CB-OE1 3.22Å; S3-E167 WeakPolarHBondContact CB-OE1 3.07Å; S3-E167 WeakPolarHBondContact CB-OE2 3.43Å; S3-E167 PolarHBondContact N-OE1 3.32Å; S3-E167 PolarHBondContact OG-OE1 2.87Å; S3-E167 PolarHBondContact OG-OE2 3.41Å; K164-E167 HydrophobicContact CB-CB 4.12Å; K164-E167 HydrophobicContact CB-CG 4.39Å; K164-E167 HydrophobicContact CG-CG 4.26Å; K164-E167 PolarHBondContact O-N 3.19Å; D165-E167 PolarHBondContact O-N 3.39Å
168E73.4Confident91.2Very high64 Ų6424 Ų2430%0.29913%0.133SC..PPolyproline II helixtrans-85.6155.2-179.3-67.6-99.4-147.800111.3R559E168-R559 IonicContact OE1-CZ 3.73Å; E168-R559 IonicContact OE1-NE 3.41Å; E168-R559 IonicContact OE1-NH2 3.46Å; E168-R559 PolarHBondContact OE1-NH2 3.15Å
169E89.3Confident91Very high38 Ų3826.8 Ų26.818%0.17815%0.145CC..PPolyproline II helixtrans-72138.7-167.2-50-176.1139.500113.2K161 V163 P195 S196 L197K161-E169 WeakPolarHBondContact CD-OE1 3.47Å; K161-E169 WeakPolarHBondContact CE-OE1 3.18Å; K161-E169 HydrophobicContact CG-CB 4.44Å; K161-E169 IonicContact NZ-OE1 3.05Å; K161-E169 PolarHBondContact NZ-OE1 2.85Å; V163-E169 HydrophobicContact CG2-CB 4.33Å; V163-E169 HydrophobicContact CG2-CG 3.94Å; E169-P195 CarbonylContact O-C 3.58Å; E169-P195 WeakPolarHBondContact O-CA 3.28Å; E169-P195 WeakPolarHBondContact O-CB 3.25Å; E169-S196 WeakPolarHBondContact O-CB 3.47Å; E169-S196 PolarHBondContact O-N 3.46Å; E169-L197 PolarHBondContact O-N 3.15Å
170I94.6Very high90.8Very high6 Ų634.6 Ų34.63%0.03117%0.174CC..EExtended strand (participates in β ladder)trans-100.3126.7166.7-56.6167.1000107.9I5 L23 V25 I162 L197I5-I170 HydrophobicContact CD1-CD1 3.82Å; I5-I170 HydrophobicContact CD1-CG1 4.24Å; I5-I170 HydrophobicContact CG1-CD1 4.15Å; I5-I170 HydrophobicContact CG2-CD1 4.02Å; L23-I170 HydrophobicContact CD2-CG2 4.11Å; V25-I170 HydrophobicContact CG2-CD1 3.86Å; I162-I170 HydrophobicContact CB-CB 4.25Å; I162-I170 PolarHBondContact N-O 3.4Å; I162-I170 PolarHBondContact O-N 3.06Å; I170-L197 HydrophobicContact CG1-CB 4.45Å; I170-L197 HydrophobicContact CG2-CB 4.26Å; I170-L197 HydrophobicContact CG2-CD2 4.04Å; I170-L197 HydrophobicContact CG2-CG 4.3Å
171V96.6Very high90.6Very high0 Ų035.4 Ų35.40%018%0.178CC..EExtended strand (participates in β ladder)trans-119.9122.2-176.8178.90000109.8I159 W160 A173 L192 P195 L197 L198 I199I159-V171 HydrophobicContact CG2-CG1 3.75Å; W160-V171 WeakPolarHBondContact O-CA 3.46Å; V171-A173 HydrophobicContact CG1-CB 4.13Å; V171-L192 HydrophobicContact CB-CD1 4.43Å; V171-L192 HydrophobicContact CG1-CD1 3.7Å; V171-L192 HydrophobicContact CG2-CD1 3.89Å; V171-L192 HydrophobicContact CG2-CD2 3.97Å; V171-L192 HydrophobicContact CG2-CG 4.48Å; V171-P195 HydrophobicContact CB-CB 4.42Å; V171-P195 HydrophobicContact CG2-CB 3.74Å; V171-P195 HydrophobicContact CG2-CG 4.26Å; V171-L197 PolarHBondContact N-O 2.84Å; V171-L198 HydrophobicContact CB-CD1 3.93Å; V171-L198 HydrophobicContact CG1-CD1 3.75Å; V171-I199 PolarHBondContact O-N 2.88Å
172Y97.5Very high90.5Very high0 Ų034.4 Ų34.40%018%0.175CC..EExtended strand (participates in β ladder)trans-103.5106169.9176.3-108.1000109.4Y21 L32 D33 I159 W160 V174 I199Y21-Y172 AromaticContact CD2-CE2 3.78Å; Y21-Y172 HydrophobicContact CD2-CE2 3.78Å; Y21-Y172 HydrophobicContact CE2-CE2 4.06Å; L32-Y172 HydrophobicContact CB-CD1 4.43Å; L32-Y172 HydrophobicContact CB-CD2 4.4Å; L32-Y172 HydrophobicContact CB-CE1 4.22Å; L32-Y172 HydrophobicContact CB-CE2 4.19Å; L32-Y172 HydrophobicContact CD1-CD2 3.69Å; L32-Y172 HydrophobicContact CD1-CE2 4.16Å; L32-Y172 HydrophobicContact CD1-CG 3.94Å; D33-Y172 WeakPolarHBondContact OD2-CE1 3.49Å; D33-Y172 PolarHBondContact OD2-OH 3.5Å; I159-Y172 CarbonylContact C-O 3.54Å; I159-Y172 WeakPolarHBondContact CA-O 3.42Å; I159-Y172 WeakPolarHBondContact CG2-O 3.49Å; W160-Y172 PolarHBondContact N-O 3.45Å; W160-Y172 PolarHBondContact O-N 2.91Å; Y172-V174 HydrophobicContact CD2-CG1 4.27Å; Y172-V174 HydrophobicContact CE1-CG1 4.38Å; Y172-V174 HydrophobicContact CE1-CG2 3.73Å; Y172-V174 HydrophobicContact CE2-CG1 3.5Å; Y172-V174 HydrophobicContact CE2-CG2 4.36Å; Y172-V174 WeakPolarHBondContact OH-CG2 3.49Å; Y172-I199 HydrophobicContact CD2-CB 3.95Å; Y172-I199 HydrophobicContact CD2-CD1 4.43Å; Y172-I199 HydrophobicContact CD2-CG2 3.76Å; Y172-I199 HydrophobicContact CE2-CG2 4.09Å
173A96.4Very high90.4Very high1 Ų134.3 Ų34.31%0.00817%0.174CC..EExtended strand (participates in β ladder)trans-130.185.8-174.300000110.4I159 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 3.69Å; V171-A173 HydrophobicContact CG1-CB 4.13Å; A173-F176 HydrophobicContact CB-CD1 4.22Å; A173-L189 HydrophobicContact CB-CD2 4.19Å; A173-L198 HydrophobicContact CB-CD1 4.13Å; A173-I199 PolarHBondContact N-O 2.75Å; A173-T200 VanDerWaalsContact O-CA 3.32Å; A173-T200 WeakPolarHBondContact O-CA 3.17Å; A173-T200 PolarHBondContact O-OG1 3.08Å
174V95.6Very high90.5Very high0 Ų033.4 Ų33.40%017%0.168CC..  trans-102.1152.4173.2-64.30000110.4L19 H62 Y172 F176 V564L19-V174 HydrophobicContact CD1-CB 4.32Å; L19-V174 HydrophobicContact CD1-CG2 4.07Å; H62-V174 PolarHBondContact CE1-O 3.1Å; Y172-V174 HydrophobicContact CD2-CG1 4.27Å; Y172-V174 HydrophobicContact CE1-CG1 4.38Å; Y172-V174 HydrophobicContact CE1-CG2 3.73Å; Y172-V174 HydrophobicContact CE2-CG1 3.5Å; Y172-V174 HydrophobicContact CE2-CG2 4.36Å; Y172-V174 WeakPolarHBondContact OH-CG2 3.49Å; V174-F176 PolarHBondContact O-N 2.82Å; V174-V564 HydrophobicContact CG1-CG2 4.11Å
175D94.8Very high90.9Very high2 Ų233.8 Ų33.81%0.01117%0.172CC..SBendtrans5433.1169.1-80.2-14.3000114.6H67 H153 D201 R543H67-D175 IonicContact CE1-OD2 2.88Å; H67-D175 PolarHBondContact CE1-OD2 3.14Å; H67-D175 IonicContact NE2-OD2 3.97Å; H67-D175 PolarHBondContact NE2-OD2 3.43Å; H153-D175 WeakPolarHBondContact CB-O 3.4Å; D175-D201 PolarHBondContact N-OD1 2.97Å; D175-R543 VanDerWaalsContact CG-NH2 3.33Å; D175-R543 IonicContact OD1-CZ 3.86Å; D175-R543 IonicContact OD1-NE 3.4Å; D175-R543 PolarHBondContact OD1-NE 3.05Å; D175-R543 IonicContact OD1-NH2 3.77Å; D175-R543 IonicContact OD2-CZ 2.78Å; D175-R543 IonicContact OD2-NE 3.9Å; D175-R543 IonicContact OD2-NH2 2.63Å; D175-R543 PolarHBondContact OD2-NH2 3.09Å
176F95.7Very high91.3Very high7 Ų729.6 Ų29.63%0.03115%0.154CC..  trans-85.9154.4-175.467.2-91.1000113.6A151 I159 A173 V174 C187 L189 S544 I549 I552A151-F176 HydrophobicContact CB-CB 4.4Å; I159-F176 HydrophobicContact CD1-CB 3.97Å; I159-F176 HydrophobicContact CG1-CB 4.42Å; A173-F176 HydrophobicContact CB-CD1 4.22Å; V174-F176 PolarHBondContact O-N 2.82Å; F176-C187 HydrophobicContact CB-CB 4.34Å; F176-L189 HydrophobicContact CD1-CD1 4.31Å; F176-L189 HydrophobicContact CD2-CD1 3.58Å; F176-L189 HydrophobicContact CE1-CD1 4.25Å; F176-L189 HydrophobicContact CE2-CD1 3.51Å; F176-L189 HydrophobicContact CG-CD1 3.98Å; F176-L189 HydrophobicContact CZ-CD1 3.85Å; F176-S544 WeakPolarHBondContact O-CB 3.44Å; F176-S544 PolarHBondContact O-N 3.4Å; F176-S544 PolarHBondContact O-OG 3.4Å; F176-I549 HydrophobicContact CE1-CD1 4.41Å; F176-I549 HydrophobicContact CZ-CD1 4.3Å; F176-I549 HydrophobicContact CZ-CG1 3.98Å; F176-I552 HydrophobicContact CE2-CD1 3.84Å
177N96Very high92.4Very high1 Ų127.5 Ų27.51%0.00513%0.13CC..  trans-123.7113.6179-167.20.8000111.6A151 G152 K179 E181 G186 C187 G542 S544A151-N177 PolarHBondContact O-N 3.09Å; G152-N177 WeakPolarHBondContact O-CB 3.48Å; G152-N177 PolarHBondContact O-ND2 3.09Å; N177-K179 VanDerWaalsContact C-N 3.31Å; N177-K179 WeakPolarHBondContact OD1-CB 3.31Å; N177-K179 PolarHBondContact OD1-N 3.31Å; N177-E181 PolarHBondContact ND2-OE1 3.03Å; N177-G186 CarbonylContact O-C 3.57Å; N177-G186 WeakPolarHBondContact O-CA 3.18Å; N177-C187 PolarHBondContact O-N 3.31Å; N177-G542 VanDerWaalsContact CB-O 3.27Å; N177-G542 WeakPolarHBondContact CB-O 3.43Å; N177-G542 PolarHBondContact ND2-O 3.44Å; N177-S544 WeakPolarHBondContact CA-OG 3.38Å
178H93.4Very high93Very high59 Ų5926.3 Ų26.327%0.27313%0.127SC..  trans-77.7-16.3174.771-74.9000113.4S544 D545 S548 I552H178-S544 PolarHBondContact N-OG 3.49Å; H178-S544 VanDerWaalsContact N-OG 3.1Å; H178-S544 WeakPolarHBondContact ND1-CB 3.45Å; H178-S544 PolarHBondContact ND1-OG 3.42Å; H178-D545 IonicContact CE1-OD1 3.18Å; H178-D545 PolarHBondContact CE1-OD1 2.77Å; H178-D545 VanDerWaalsContact CE1-OD1 3.23Å; H178-D545 IonicContact NE2-OD1 2.66Å; H178-S548 WeakPolarHBondContact CE1-CB 3.19Å; H178-S548 PolarHBondContact CE1-OG 3.26Å; H178-S548 PolarHBondContact NE2-OG 2.91Å; H178-I552 HydrophobicContact CB-CD1 3.65Å
179K92.9Very high93.5Very high59 Ų5923.7 Ų23.726%0.25711%0.114SC..SBendtrans-81.2137.4-177.4-63.9173.6-177.6151.80109.4N177 D545N177-K179 VanDerWaalsContact C-N 3.31Å; N177-K179 WeakPolarHBondContact OD1-CB 3.31Å; N177-K179 PolarHBondContact OD1-N 3.31Å; K179-D545 WeakPolarHBondContact CE-OD1 3.44Å; K179-D545 IonicContact NZ-OD1 2.74Å; K179-D545 PolarHBondContact NZ-OD1 2.95Å; K179-D545 IonicContact NZ-OD2 3.78Å
180R93.4Very high92.6Very high164 Ų16429.8 Ų29.862%0.61914%0.143SC*.  trans-75.1126.1166.6-175.2174.868.3-175.3-1109.8
181E92.9Very high91.6Very high16 Ų1636.1 Ų36.18%0.07517%0.174CC..  trans-102.7-167.5179-61.8-160.5158.800111.6N177 L184 R242 G542N177-E181 PolarHBondContact ND2-OE1 3.03Å; E181-L184 PolarHBondContact N-O 3.21Å; E181-R242 IonicContact OE1-NH1 3.51Å; E181-R242 IonicContact OE1-NH2 3.3Å; E181-R242 PolarHBondContact OE1-NH2 3.33Å; E181-R242 IonicContact OE2-CZ 3.37Å; E181-R242 IonicContact OE2-NH1 3.85Å; E181-R242 PolarHBondContact OE2-NH1 3.41Å; E181-R242 IonicContact OE2-NH2 3.52Å; E181-R242 PolarHBondContact OE2-NH2 2.75Å; E181-G542 WeakPolarHBondContact OE1-CA 3.5Å
182I92.9Very high90.7Very high24 Ų2436.5 Ų36.512%0.12318%0.176CC..SBendtrans-71.5-52.2177.5-69.3159.8000110E245 Q248 L249I182-E245 WeakPolarHBondContact CB-OE1 3.49Å; I182-E245 WeakPolarHBondContact CB-OE2 3.49Å; I182-E245 WeakPolarHBondContact CG1-OE1 3.44Å; I182-E245 PolarHBondContact N-OE1 3Å; I182-E245 PolarHBondContact N-OE2 2.88Å; I182-E245 VanDerWaalsContact N-OE2 3.15Å; I182-Q248 HydrophobicContact CG2-CB 4.44Å; I182-Q248 HydrophobicContact CG2-CG 3.57Å; I182-L249 HydrophobicContact CD1-CB 3.87Å; I182-L249 HydrophobicContact CD1-CD1 3.84Å; I182-L249 HydrophobicContact CD1-CG 4.42Å
183H94.1Very high89.7Confident0 Ų040.8 Ų40.80%021%0.206CC..SBendtrans-96.9-14.9-173.582.8-65.9000114.1E245 M287 S288 L291 F303H183-E245 IonicContact CE1-OE2 3.63Å; H183-E245 IonicContact CG-OE2 2.67Å; H183-E245 PolarHBondContact N-OE2 2.99Å; H183-E245 IonicContact ND1-OE2 3.54Å; H183-E245 PolarHBondContact ND1-OE2 2.84Å; H183-M287 CarbonylContact O-C 3.57Å; H183-M287 VanDerWaalsContact O-CA 3.27Å; H183-M287 WeakPolarHBondContact O-CA 3.48Å; H183-M287 VanDerWaalsContact O-CB 3.25Å; H183-M287 WeakPolarHBondContact O-CB 3.49Å; H183-S288 PolarHBondContact O-N 3.01Å; H183-L291 HydrophobicContact CB-CD1 3.96Å; H183-F303 HydrophobicContact CB-CZ 4.12Å
184L95.6Very high89.3Confident8 Ų845.8 Ų45.84%0.04223%0.225CC..  trans-123.9147.7179.9-62.3174.7000113.3M154 I155 E181M154-L184 VanDerWaalsContact C-CD1 3.45Å; I155-L184 HydrophobicContact CB-CD2 4.49Å; I155-L184 HydrophobicContact CD1-CD2 3.73Å; E181-L184 PolarHBondContact N-O 3.21Å
185N94.4Very high89Confident49 Ų4945.8 Ų45.826%0.26223%0.225SC..PPolyproline II helixtrans-77160.7164.7-69.7-28.7000110.3G152 S288 D289G152-N185 WeakPolarHBondContact CA-O 3.49Å; N185-S288 WeakPolarHBondContact OD1-CA 3.3Å; N185-S288 WeakPolarHBondContact OD1-CB 3.28Å; N185-S288 PolarHBondContact OD1-OG 3.17Å; N185-D289 PolarHBondContact ND2-N 3Å; N185-D289 PolarHBondContact ND2-OD1 3.46Å; N185-D289 PolarHBondContact OD1-N 3.48Å
186G93.3Very high88.8Confident20 Ų2046.2 Ų46.221%0.20623%0.228CC..PPolyproline II helixtrans-70.5163.6171.900000111.9N177N177-G186 CarbonylContact O-C 3.57Å; N177-G186 WeakPolarHBondContact O-CA 3.18Å
187C93.8Very high88.7Confident18 Ų1845.9 Ų45.912%0.12223%0.226CC..PPolyproline II helixtrans-60148.8178.567.70000112.6P150 A151 I159 F176 N177 L189P150-C187 VanDerWaalsContact O-CA 3.22Å; P150-C187 WeakPolarHBondContact O-CA 3.47Å; P150-C187 WeakPolarHBondContact O-CB 3.5Å; A151-C187 WeakPolarHBondContact O-CB 3.41Å; I159-C187 HydrophobicContact CD1-CB 4.04Å; F176-C187 HydrophobicContact CB-CB 4.34Å; N177-C187 PolarHBondContact O-N 3.31Å; C187-L189 HydrophobicContact CB-CG 4.49Å; C187-L189 PolarHBondContact O-N 2.78Å
188S87.3Confident88.7Confident17 Ų1746 Ų4612%0.11923%0.227CC..  trans-99.339.1179.869.10000113.5P150 E190 M191P150-S188 VanDerWaalsContact CD-OG 3.26Å; P150-S188 WeakPolarHBondContact CD-OG 3.31Å; P150-S188 WeakPolarHBondContact CG-OG 3.48Å; P150-S188 PolarHBondContact O-N 3.19Å; S188-E190 PolarHBondContact O-N 3.16Å; S188-E190 VanDerWaalsContact O-N 3.16Å; S188-M191 WeakPolarHBondContact O-CB 3.47Å; S188-M191 PolarHBondContact O-N 3.47Å; S188-M191 VanDerWaalsContact O-N 3.15Å
189L82.4Confident88.9Confident8 Ų843.2 Ų43.24%0.04221%0.214CC..G310 helixtrans-60.9-21.5177.6-75.9170.1000112.9I159 A173 F176 C187 M191 L192 I552 M556I159-L189 HydrophobicContact CD1-CD1 4.29Å; I159-L189 HydrophobicContact CD1-CD2 3.72Å; I159-L189 HydrophobicContact CD1-CG 3.77Å; I159-L189 HydrophobicContact CG2-CD2 4.28Å; A173-L189 HydrophobicContact CB-CD2 4.19Å; F176-L189 HydrophobicContact CD1-CD1 4.31Å; F176-L189 HydrophobicContact CD2-CD1 3.58Å; F176-L189 HydrophobicContact CE1-CD1 4.25Å; F176-L189 HydrophobicContact CE2-CD1 3.51Å; F176-L189 HydrophobicContact CG-CD1 3.98Å; F176-L189 HydrophobicContact CZ-CD1 3.85Å; C187-L189 HydrophobicContact CB-CG 4.49Å; C187-L189 PolarHBondContact O-N 2.78Å; L189-M191 PolarHBondContact O-N 3.43Å; L189-L192 HydrophobicContact CD2-CD1 3.54Å; L189-L192 WeakPolarHBondContact O-CB 3.48Å; L189-L192 PolarHBondContact O-N 3.07Å; L189-I552 HydrophobicContact CB-CG2 4.28Å; L189-I552 HydrophobicContact CD1-CG2 3.71Å; L189-M556 HydrophobicContact CB-SD 4.22Å; L189-M556 HydrophobicContact CD2-CE 4.27Å; L189-M556 HydrophobicContact CD2-SD 4.18Å
190E72.1Confident89Confident167 Ų16740.4 Ų40.478%0.7820%0.202SC*.G310 helixtrans-64.9-19.3176.4-61.2177.817500113.8S188 L192S188-E190 PolarHBondContact O-N 3.16Å; S188-E190 VanDerWaalsContact O-N 3.16Å; E190-L192 PolarHBondContact O-N 3.3Å
191M72.3Confident89Confident138 Ų13833 Ų3368%0.6818%0.175SC*.G310 helixtrans-73.9-16.9174.3-62.9-176.4-179.600112.4S188 L189S188-M191 WeakPolarHBondContact O-CB 3.47Å; S188-M191 PolarHBondContact O-N 3.47Å; S188-M191 VanDerWaalsContact O-N 3.15Å; L189-M191 PolarHBondContact O-N 3.43Å
192L78.9Confident89.1Confident9 Ų932.2 Ų32.25%0.04717%0.171CC..  trans-89.4127.9178.7-56.2167.1000108L149 K161 V171 L189 E190 M556L149-L192 HydrophobicContact CD1-CD1 4.35Å; L149-L192 HydrophobicContact CD1-CD2 3.79Å; L149-L192 HydrophobicContact CD1-CG 4.11Å; K161-L192 HydrophobicContact CD-CD2 3.58Å; K161-L192 HydrophobicContact CG-CD2 4.05Å; V171-L192 HydrophobicContact CB-CD1 4.43Å; V171-L192 HydrophobicContact CG1-CD1 3.7Å; V171-L192 HydrophobicContact CG2-CD1 3.89Å; V171-L192 HydrophobicContact CG2-CD2 3.97Å; V171-L192 HydrophobicContact CG2-CG 4.48Å; L189-L192 HydrophobicContact CD2-CD1 3.54Å; L189-L192 WeakPolarHBondContact O-CB 3.48Å; L189-L192 PolarHBondContact O-N 3.07Å; E190-L192 PolarHBondContact O-N 3.3Å; L192-M556 HydrophobicContact CB-CE 3.97Å; L192-M556 HydrophobicContact CD1-CE 3.85Å
193S75.5Confident89.1Confident90 Ų9031.6 Ų31.663%0.62917%0.167SC*.  trans-81.4-86.6-179.459.50000110.1M556S193-M556 VanDerWaalsContact O-O 3.07Å
194R87.3Confident89Confident106 Ų10631.7 Ų31.740%0.417%0.168SC..SBendtrans-137.282-174.8-166.6-175.7-178.1-178.4-4.1109.8K557R194-K557 WeakPolarHBondContact CG-O 3.46Å; R194-K557 PolarHBondContact NE-O 2.88Å
195P90.4Very high88.9Confident0 Ų031.3 Ų31.30%017%0.166CC..  trans-63.8150.8-174.926.5-33.5000111.7E169 V171 L198 M556 P558 R559E169-P195 CarbonylContact O-C 3.58Å; E169-P195 WeakPolarHBondContact O-CA 3.28Å; E169-P195 WeakPolarHBondContact O-CB 3.25Å; V171-P195 HydrophobicContact CB-CB 4.42Å; V171-P195 HydrophobicContact CG2-CB 3.74Å; V171-P195 HydrophobicContact CG2-CG 4.26Å; P195-L198 HydrophobicContact CG-CB 4.45Å; P195-M556 HydrophobicContact CG-CE 3.88Å; P195-P558 HydrophobicContact CG-CB 4.09Å; P195-P558 WeakPolarHBondContact O-CA 3.43Å; P195-R559 PolarHBondContact O-N 3.13Å
196S90.9Very high88.9Confident10 Ų1032.9 Ų32.97%0.0718%0.177CC..SBendtrans-61.6-50.9172.8-165.90000110E169 R559 Q560E169-S196 WeakPolarHBondContact O-CB 3.47Å; E169-S196 PolarHBondContact O-N 3.46Å; S196-R559 WeakPolarHBondContact O-CB 3.49Å; S196-Q560 WeakPolarHBondContact O-CB 3.35Å; S196-Q560 PolarHBondContact O-N 3.37Å
197L93.5Very high88.9Confident0 Ų034.7 Ų34.70%018%0.178CC..EExtended strand (participates in β ladder)trans-132127.3-179.717363.3000109.6I5 E169 I170 V171 I199 Q560 I562 A599I5-L197 HydrophobicContact CG2-CD2 3.88Å; E169-L197 PolarHBondContact O-N 3.15Å; I170-L197 HydrophobicContact CG1-CB 4.45Å; I170-L197 HydrophobicContact CG2-CB 4.26Å; I170-L197 HydrophobicContact CG2-CD2 4.04Å; I170-L197 HydrophobicContact CG2-CG 4.3Å; V171-L197 PolarHBondContact N-O 2.84Å; L197-I199 HydrophobicContact CD1-CG1 4.44Å; L197-I199 HydrophobicContact CD2-CD1 4.23Å; L197-I199 HydrophobicContact CD2-CG1 4.17Å; L197-I199 HydrophobicContact CG-CG1 4.11Å; L197-Q560 WeakPolarHBondContact CA-O 3.41Å; L197-Q560 HydrophobicContact CD1-CB 4.01Å; L197-I562 HydrophobicContact CD1-CB 4.46Å; L197-I562 HydrophobicContact CD1-CD1 3.63Å; L197-I562 HydrophobicContact CD1-CG1 3.68Å; L197-I562 HydrophobicContact CD2-CD1 4.12Å; L197-I562 HydrophobicContact CG-CD1 4.47Å; L197-A599 HydrophobicContact CD1-CB 4.22Å; L197-A599 HydrophobicContact CD2-CB 4.06Å
198L95.7Very high88.8Confident4 Ų439.5 Ų39.52%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-109.6125.3167178.862.4000109.1V171 A173 P195 I553 M556 P558 Q560 L561 I562V171-L198 HydrophobicContact CB-CD1 3.93Å; V171-L198 HydrophobicContact CG1-CD1 3.75Å; A173-L198 HydrophobicContact CB-CD1 4.13Å; P195-L198 HydrophobicContact CG-CB 4.45Å; L198-I553 HydrophobicContact CD2-CG1 4.13Å; L198-M556 HydrophobicContact CD1-CE 4.33Å; L198-M556 HydrophobicContact CD2-CE 4.31Å; L198-M556 HydrophobicContact CD2-SD 4.44Å; L198-P558 HydrophobicContact CB-CB 3.79Å; L198-P558 HydrophobicContact CB-CG 4.18Å; L198-P558 HydrophobicContact CD2-CB 4.5Å; L198-P558 HydrophobicContact CD2-CG 4.15Å; L198-Q560 PolarHBondContact N-O 3.11Å; L198-L561 HydrophobicContact CB-CD1 3.92Å; L198-L561 HydrophobicContact CD2-CD1 3.81Å; L198-L561 HydrophobicContact CG-CD1 3.86Å; L198-L561 CarbonylContact O-C 3.58Å; L198-L561 WeakPolarHBondContact O-CA 3.21Å; L198-I562 PolarHBondContact O-N 3.45Å
199I96.8Very high88.9Confident0 Ų039.5 Ų39.50%021%0.205CC..EExtended strand (participates in β ladder)trans-107.1117.6170.7-54.7169.1000106.8L7 L32 V171 Y172 A173 L197 I562 V564L7-I199 HydrophobicContact CD1-CD1 3.93Å; L7-I199 HydrophobicContact CD2-CD1 4.04Å; L7-I199 HydrophobicContact CD2-CG1 4.36Å; L7-I199 HydrophobicContact CD2-CG2 4.26Å; L32-I199 HydrophobicContact CD1-CD1 4.1Å; V171-I199 PolarHBondContact O-N 2.88Å; Y172-I199 HydrophobicContact CD2-CB 3.95Å; Y172-I199 HydrophobicContact CD2-CD1 4.43Å; Y172-I199 HydrophobicContact CD2-CG2 3.76Å; Y172-I199 HydrophobicContact CE2-CG2 4.09Å; A173-I199 PolarHBondContact N-O 2.75Å; L197-I199 HydrophobicContact CD1-CG1 4.44Å; L197-I199 HydrophobicContact CD2-CD1 4.23Å; L197-I199 HydrophobicContact CD2-CG1 4.17Å; L197-I199 HydrophobicContact CG-CG1 4.11Å; I199-I562 WeakPolarHBondContact CA-O 3.47Å; I199-I562 HydrophobicContact CG1-CB 4.41Å; I199-I562 HydrophobicContact CG1-CD1 4.45Å; I199-V564 HydrophobicContact CG2-CG1 3.9Å; I199-V564 HydrophobicContact CG2-CG2 3.92Å
200T95.5Very high89.4Confident1 Ų141.2 Ų41.21%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-137.9154.8-174.3-169.90000111.9A173 I553 L561 I562 I563 V564A173-T200 VanDerWaalsContact O-CA 3.32Å; A173-T200 WeakPolarHBondContact O-CA 3.17Å; A173-T200 PolarHBondContact O-OG1 3.08Å; T200-I553 HydrophobicContact CG2-CD1 4.03Å; T200-L561 HydrophobicContact CG2-CD1 3.71Å; T200-I562 PolarHBondContact N-O 3.21Å; T200-I563 WeakPolarHBondContact O-CA 3.03Å; T200-V564 WeakPolarHBondContact O-CG2 3.39Å; T200-V564 PolarHBondContact O-N 2.91Å
201D94.3Very high90.3Very high8 Ų843 Ų434%0.04322%0.216CC..  trans-78.6164.6171.970.7-70.8000112.7D175 I549 V564 H565D175-D201 PolarHBondContact N-OD1 2.97Å; D201-I549 VanDerWaalsContact O-CD1 3.28Å; D201-I549 WeakPolarHBondContact O-CD1 3.36Å; D201-V564 CarbonylContact C-O 3.58Å; D201-V564 VanDerWaalsContact CA-O 3.26Å; D201-V564 WeakPolarHBondContact CA-O 3.25Å; D201-H565 HydrophobicContact CB-CB 3.96Å
202S93.8Very high91.1Very high0 Ų039.8 Ų39.80%020%0.196CC..  trans-127.114172.858.60000113.7N204 A205 I563 V564 H565 A570 S571S202-N204 VanDerWaalsContact C-N 3.26Å; S202-N204 PolarHBondContact O-N 3.4Å; S202-N204 VanDerWaalsContact O-N 3.17Å; S202-A205 WeakPolarHBondContact O-CB 3.21Å; S202-A205 PolarHBondContact O-N 3.05Å; S202-I563 VanDerWaalsContact CB-CG2 3.5Å; S202-I563 WeakPolarHBondContact OG-CG2 3.39Å; S202-V564 PolarHBondContact N-O 2.87Å; S202-H565 CarbonylContact C-O 3.5Å; S202-H565 WeakPolarHBondContact CA-O 3.22Å; S202-H565 PolarHBondContact N-O 3.15Å; S202-H565 PolarHBondContact OG-O 3.38Å; S202-A570 WeakPolarHBondContact O-CB 3.29Å; S202-S571 WeakPolarHBondContact OG-CA 3.38Å; S202-S571 WeakPolarHBondContact OG-CB 3.44Å; S202-S571 PolarHBondContact OG-OG 3.21Å
203F92.8Very high91.7Very high10 Ų1046.6 Ų46.64%0.04423%0.225CC..THydrogen-bonded Turntrans-53.7-41.8-172.8-175.3-97.8000113E16 R358 E541 H565E16-F203 HydrophobicContact CB-CD2 4.22Å; E16-F203 HydrophobicContact CB-CE2 3.69Å; E16-F203 HydrophobicContact CG-CD2 3.73Å; E16-F203 HydrophobicContact CG-CE2 3.38Å; E16-F203 HydrophobicContact CG-CZ 4.48Å; F203-R358 VanDerWaalsContact CE1-NH1 3.32Å; F203-R358 HydrophobicContact CZ-CB 4.35Å; F203-R358 HydrophobicContact CZ-CG 4.46Å; F203-E541 WeakPolarHBondContact CE1-OE2 3.48Å; F203-H565 AromaticContact CD2-NE2 3.57Å; F203-H565 PolarHBondContact N-O 3.24Å
204N93.6Very high92.6Very high3 Ų347.8 Ų47.82%0.01622%0.221CC..THydrogen-bonded Turntrans-107.817.8179.3-82.1-16.8000114.1S202 T206 Y207 R358 E541 S544 G546S202-N204 VanDerWaalsContact C-N 3.26Å; S202-N204 PolarHBondContact O-N 3.4Å; S202-N204 VanDerWaalsContact O-N 3.17Å; N204-T206 VanDerWaalsContact C-N 3.26Å; N204-T206 PolarHBondContact O-N 3.24Å; N204-Y207 PolarHBondContact O-N 3.22Å; N204-R358 PolarHBondContact OD1-NH1 2.85Å; N204-R358 PolarHBondContact OD1-NH2 2.97Å; N204-E541 PolarHBondContact ND2-OE1 2.81Å; N204-S544 WeakPolarHBondContact CB-O 3.48Å; N204-G546 WeakPolarHBondContact O-CA 3.4Å; N204-G546 PolarHBondContact O-N 3.09Å; N204-G546 VanDerWaalsContact O-N 3.08Å
205A92.8Very high92.9Very high0 Ų043 Ų430%020%0.203CC..THydrogen-bonded Turntrans-60.6-32.7-17500000114.2S202 G546 K550 A570 L574S202-A205 WeakPolarHBondContact O-CB 3.21Å; S202-A205 PolarHBondContact O-N 3.05Å; A205-G546 WeakPolarHBondContact O-CA 3.48Å; A205-K550 WeakPolarHBondContact O-CE 3.48Å; A205-K550 PolarHBondContact O-NZ 2.79Å; A205-A570 HydrophobicContact CB-CB 4.24Å; A205-A570 WeakPolarHBondContact CB-O 3.42Å; A205-L574 HydrophobicContact CB-CB 3.87Å; A205-L574 HydrophobicContact CB-CD2 4.37Å; A205-L574 HydrophobicContact CB-CG 4.49Å
206T93.6Very high93.1Very high81 Ų8144.3 Ų44.350%0.49721%0.21SC..THydrogen-bonded Turntrans-100.3-5.7175.653.90000112.9N204 A570 D573N204-T206 VanDerWaalsContact C-N 3.26Å; N204-T206 PolarHBondContact O-N 3.24Å; T206-A570 HydrophobicContact CG2-CB 4.15Å; T206-D573 HydrophobicContact CG2-CB 3.76Å
207Y93.3Very high93.2Very high59 Ų5948.8 Ų48.823%0.23123%0.23CC..  trans-80.8124.5-173.8-174.3-110000111.6N204 Q209 D539 G546N204-Y207 PolarHBondContact O-N 3.22Å; Y207-Q209 HydrophobicContact CD1-CB 4.09Å; Y207-Q209 HydrophobicContact CE1-CB 3.84Å; Y207-Q209 HydrophobicContact CE1-CG 4.06Å; Y207-D539 WeakPolarHBondContact CE1-OD2 3.49Å; Y207-G546 PolarHBondContact O-N 3.27Å; Y207-G546 VanDerWaalsContact O-N 3.16Å
208V91.8Very high93.3Very high118 Ų11852.4 Ų52.472%0.71525%0.247SC*.  trans-96.1100.7175-177.30000108.9
209Q90.2Very high93.3Very high18 Ų1852.3 Ų52.38%0.08425%0.246CC..PPolyproline II helixtrans-78132.2-176.7-168.6174.658.200111.6Y207 R215 D539 D545Y207-Q209 HydrophobicContact CD1-CB 4.09Å; Y207-Q209 HydrophobicContact CE1-CB 3.84Å; Y207-Q209 HydrophobicContact CE1-CG 4.06Å; Q209-R215 VanDerWaalsContact CD-NH1 3.28Å; Q209-D539 VanDerWaalsContact CG-OD2 3.31Å; Q209-D539 WeakPolarHBondContact CG-OD2 3.43Å; Q209-D539 PolarHBondContact NE2-OD2 3.22Å; Q209-D545 HydrophobicContact CB-CB 3.71Å
210P91.6Very high93.1Very high43 Ų4354.6 Ų54.628%0.27926%0.258SS..PPolyproline II helixtrans-68.5158.8173.225.2-28.8000111.4R212 R215P210-R212 PolarHBondContact O-N 3.02Å; P210-R215 HydrophobicContact CB-CG 4.15Å; P210-R215 HydrophobicContact CG-CG 3.71Å
211R91.4Very high93.1Very high206 Ų20658.7 Ų58.778%0.77728%0.283SS*.PPolyproline II helixtrans-64.8137.9-177.7-67.7-178.3178.41760.1110.4K213 Q214 R215R211-K213 VanDerWaalsContact C-N 3.28Å; R211-K213 PolarHBondContact O-N 3.22Å; R211-K213 VanDerWaalsContact O-N 3.15Å; R211-Q214 HydrophobicContact CB-CB 4.41Å; R211-Q214 WeakPolarHBondContact O-CA 3.32Å; R211-Q214 WeakPolarHBondContact O-CB 3.45Å; R211-Q214 PolarHBondContact O-N 3.4Å; R211-R215 PolarHBondContact O-N 3.49Å
212R90.5Very high93.2Very high70 Ų7058.8 Ų58.826%0.26428%0.284SS..Hα-helixtrans-47.1-48178.7-171.8-179.8-179.4-61.9-16.7113.2P210 Q214 R215 D216 E245P210-R212 PolarHBondContact O-N 3.02Å; R212-Q214 VanDerWaalsContact C-N 3.33Å; R212-Q214 PolarHBondContact O-N 3.19Å; R212-R215 WeakPolarHBondContact O-CB 2.93Å; R212-R215 PolarHBondContact O-N 3.25Å; R212-R215 VanDerWaalsContact O-N 3.11Å; R212-D216 IonicContact CZ-OD2 3.41Å; R212-D216 IonicContact NH1-OD2 3.53Å; R212-D216 PolarHBondContact NH1-OD2 3.32Å; R212-D216 IonicContact NH2-OD2 3.59Å; R212-D216 VanDerWaalsContact O-CG 3.28Å; R212-D216 PolarHBondContact O-N 3.02Å; R212-E245 IonicContact CZ-OE1 2.63Å; R212-E245 IonicContact NE-OE1 3.89Å; R212-E245 IonicContact NH2-OE1 2.8Å; R212-E245 PolarHBondContact NH2-OE1 3.33Å
213K91.6Very high93.3Very high151 Ų15158.8 Ų58.866%0.65728%0.284SS*.Hα-helixtrans-58.8-42.2178.3-173.1-178.5178.6-1680113R211 R215 D216 E217R211-K213 VanDerWaalsContact C-N 3.28Å; R211-K213 PolarHBondContact O-N 3.22Å; R211-K213 VanDerWaalsContact O-N 3.15Å; K213-R215 VanDerWaalsContact C-N 3.3Å; K213-D216 PolarHBondContact O-N 3.23Å; K213-E217 WeakPolarHBondContact CE-OE1 3.13Å; K213-E217 IonicContact NZ-OE1 2.74Å; K213-E217 WeakPolarHBondContact O-CG 3.45Å; K213-E217 PolarHBondContact O-N 3.39Å
214Q93.9Very high93.3Very high116 Ų11659.6 Ų59.654%0.54229%0.289SS..Hα-helixtrans-66-37.5177.9-174.9-177.315.400110.9R211 R212 E217 Q218R211-Q214 HydrophobicContact CB-CB 4.41Å; R211-Q214 WeakPolarHBondContact O-CA 3.32Å; R211-Q214 WeakPolarHBondContact O-CB 3.45Å; R211-Q214 PolarHBondContact O-N 3.4Å; R212-Q214 VanDerWaalsContact C-N 3.33Å; R212-Q214 PolarHBondContact O-N 3.19Å; Q214-E217 PolarHBondContact O-N 3.28Å; Q214-Q218 PolarHBondContact O-N 3.06Å
215R94.1Very high93.4Very high6 Ų664.9 Ų64.92%0.02331%0.313CS..Hα-helixtrans-66.5-41.2175.3-63.8-167.5-64.2-159.6-3.4113.3Q209 P210 R211 R212 K213 E217 Q218 L219 I538 D539 Y540Q209-R215 VanDerWaalsContact CD-NH1 3.28Å; P210-R215 HydrophobicContact CB-CG 4.15Å; P210-R215 HydrophobicContact CG-CG 3.71Å; R211-R215 PolarHBondContact O-N 3.49Å; R212-R215 WeakPolarHBondContact O-CB 2.93Å; R212-R215 PolarHBondContact O-N 3.25Å; R212-R215 VanDerWaalsContact O-N 3.11Å; K213-R215 VanDerWaalsContact C-N 3.3Å; R215-E217 VanDerWaalsContact C-N 3.31Å; R215-E217 PolarHBondContact O-N 2.91Å; R215-Q218 WeakPolarHBondContact O-CG 3.25Å; R215-Q218 PolarHBondContact O-N 3.36Å; R215-L219 WeakPolarHBondContact O-CB 3.28Å; R215-L219 PolarHBondContact O-N 2.89Å; R215-I538 HydrophobicContact CB-CG2 4.4Å; R215-D539 WeakPolarHBondContact CD-O 3.37Å; R215-D539 PolarHBondContact NE-O 2.83Å; R215-D539 PolarHBondContact NH1-O 2.84Å; R215-D539 IonicContact NH1-OD1 3.61Å; R215-D539 IonicContact NH1-OD2 2.78Å; R215-D539 PolarHBondContact NH1-OD2 3.42Å; R215-Y540 PolarHBondContact O-OH 3.2Å
216D93.6Very high93.6Very high27 Ų2765.2 Ų65.214%0.14432%0.315CS..Hα-helixtrans-63.6-39.2175.8-63.8-15.7000111.1R212 K213 L220 Y540R212-D216 IonicContact CZ-OD2 3.41Å; R212-D216 IonicContact NH1-OD2 3.53Å; R212-D216 PolarHBondContact NH1-OD2 3.32Å; R212-D216 IonicContact NH2-OD2 3.59Å; R212-D216 VanDerWaalsContact O-CG 3.28Å; R212-D216 PolarHBondContact O-N 3.02Å; K213-D216 PolarHBondContact O-N 3.23Å; D216-L220 WeakPolarHBondContact O-CB 3.33Å; D216-L220 PolarHBondContact O-N 3.29Å; D216-Y540 VanDerWaalsContact CA-OH 3.24Å; D216-Y540 WeakPolarHBondContact CA-OH 3.24Å; D216-Y540 PolarHBondContact N-OH 2.82Å; D216-Y540 WeakPolarHBondContact OD1-CE1 2.98Å; D216-Y540 PolarHBondContact OD1-OH 3.38Å
217E92.9Very high93.7Very high104 Ų10461.5 Ų61.549%0.48629%0.292SS..Hα-helixtrans-65-47.5175.3-74.4170.7-172.700112K213 Q214 R215 L219 L220 T221K213-E217 WeakPolarHBondContact CE-OE1 3.13Å; K213-E217 IonicContact NZ-OE1 2.74Å; K213-E217 WeakPolarHBondContact O-CG 3.45Å; K213-E217 PolarHBondContact O-N 3.39Å; Q214-E217 PolarHBondContact O-N 3.28Å; R215-E217 VanDerWaalsContact C-N 3.31Å; R215-E217 PolarHBondContact O-N 2.91Å; E217-L219 VanDerWaalsContact C-N 3.35Å; E217-L219 PolarHBondContact O-N 2.99Å; E217-L220 PolarHBondContact O-N 2.9Å; E217-T221 WeakPolarHBondContact O-CB 3.35Å; E217-T221 PolarHBondContact O-N 2.82Å; E217-T221 PolarHBondContact O-OG1 2.9Å; E217-T221 VanDerWaalsContact O-OG1 3.05Å
218Q95.3Very high93.7Very high76 Ų7667.2 Ų67.236%0.35531%0.313SS..Hα-helixtrans-64.5-37.2177.862.8179-4.500112.7Q214 R215 T221 N222 I538Q214-Q218 PolarHBondContact O-N 3.06Å; R215-Q218 WeakPolarHBondContact O-CG 3.25Å; R215-Q218 PolarHBondContact O-N 3.36Å; Q218-T221 PolarHBondContact O-N 3.39Å; Q218-N222 VanDerWaalsContact O-CB 3.29Å; Q218-N222 WeakPolarHBondContact O-CB 3.43Å; Q218-N222 PolarHBondContact O-N 2.84Å; Q218-I538 HydrophobicContact CG-CD1 4.09Å; Q218-I538 HydrophobicContact CG-CG1 4.32Å; Q218-I538 HydrophobicContact CG-CG2 4.26Å
219L95.7Very high93.9Very high1 Ų163.5 Ų63.51%0.00530%0.299CS..Hα-helixtrans-61.5-49.7176.2176.465.1000109.6R215 E217 T221 N222 V223 I235 L246 L249 L250 I354 I538 Y540R215-L219 WeakPolarHBondContact O-CB 3.28Å; R215-L219 PolarHBondContact O-N 2.89Å; E217-L219 VanDerWaalsContact C-N 3.35Å; E217-L219 PolarHBondContact O-N 2.99Å; L219-T221 PolarHBondContact O-N 2.82Å; L219-N222 PolarHBondContact O-N 3.08Å; L219-V223 HydrophobicContact CD1-CG2 4.2Å; L219-V223 WeakPolarHBondContact O-CB 3.44Å; L219-V223 VanDerWaalsContact O-CG2 3.24Å; L219-V223 WeakPolarHBondContact O-CG2 3.45Å; L219-V223 PolarHBondContact O-N 2.86Å; L219-I235 HydrophobicContact CD1-CD1 4.38Å; L219-L246 HydrophobicContact CD2-CD2 3.88Å; L219-L249 HydrophobicContact CD2-CD2 3.87Å; L219-L250 HydrophobicContact CD2-CD2 4.39Å; L219-I354 HydrophobicContact CD1-CD1 3.74Å; L219-I354 HydrophobicContact CD1-CG2 4.11Å; L219-I538 HydrophobicContact CB-CD1 4.11Å; L219-I538 HydrophobicContact CD1-CD1 4.09Å; L219-Y540 HydrophobicContact CB-CE2 4.2Å; L219-Y540 HydrophobicContact CD2-CE2 3.71Å; L219-Y540 HydrophobicContact CG-CE2 4.39Å
220L93.9Very high94.1Very high49 Ų4967.4 Ų67.426%0.25732%0.32SS..Hα-helixtrans-62.5-43.1179.6-177.956.4000112.3D216 E217 L224 I253 L261D216-L220 WeakPolarHBondContact O-CB 3.33Å; D216-L220 PolarHBondContact O-N 3.29Å; E217-L220 PolarHBondContact O-N 2.9Å; L220-L224 HydrophobicContact CD1-CD1 3.76Å; L220-L224 HydrophobicContact CD1-CG 3.97Å; L220-L224 HydrophobicContact CG-CD1 3.8Å; L220-L224 HydrophobicContact CG-CG 4.44Å; L220-L224 VanDerWaalsContact O-CB 3.29Å; L220-L224 WeakPolarHBondContact O-CB 3.44Å; L220-L224 WeakPolarHBondContact O-CG 3.36Å; L220-L224 PolarHBondContact O-N 3.36Å; L220-I253 HydrophobicContact CD1-CG2 3.69Å; L220-I253 HydrophobicContact CD2-CG2 4.46Å; L220-L261 HydrophobicContact CD1-CD1 3.88Å
221T94.5Very high94.4Very high86 Ų8665.4 Ų65.453%0.52831%0.307SS..Hα-helixtrans-61.4-47.2176.3-630000111.3E217 Q218 L219 L224 E225E217-T221 WeakPolarHBondContact O-CB 3.35Å; E217-T221 PolarHBondContact O-N 2.82Å; E217-T221 PolarHBondContact O-OG1 2.9Å; E217-T221 VanDerWaalsContact O-OG1 3.05Å; Q218-T221 PolarHBondContact O-N 3.39Å; L219-T221 PolarHBondContact O-N 2.82Å; T221-L224 PolarHBondContact O-N 3.06Å; T221-E225 VanDerWaalsContact O-CB 3.29Å; T221-E225 WeakPolarHBondContact O-CB 3.45Å; T221-E225 PolarHBondContact O-N 3.03Å
222N95.9Very high94.7Very high10 Ų1056.5 Ų56.55%0.05328%0.275CS..Hα-helixtrans-59.7-50.1179.2-171.7-22.1000110.6Q218 L219 E225 T226 S352 I354 R534 T536Q218-N222 VanDerWaalsContact O-CB 3.29Å; Q218-N222 WeakPolarHBondContact O-CB 3.43Å; Q218-N222 PolarHBondContact O-N 2.84Å; L219-N222 PolarHBondContact O-N 3.08Å; N222-E225 PolarHBondContact O-N 2.99Å; N222-T226 WeakPolarHBondContact O-CB 3.3Å; N222-T226 PolarHBondContact O-N 2.88Å; N222-T226 VanDerWaalsContact O-N 3.11Å; N222-T226 PolarHBondContact O-OG1 3.19Å; N222-S352 PolarHBondContact OD1-OG 3.21Å; N222-I354 HydrophobicContact CB-CD1 4.23Å; N222-R534 PolarHBondContact O-NH2 2.93Å; N222-R534 VanDerWaalsContact OD1-CZ 3.31Å; N222-R534 PolarHBondContact OD1-NE 3.3Å; N222-R534 PolarHBondContact OD1-NH2 3.45Å; N222-T536 WeakPolarHBondContact ND2-CB 3.44Å; N222-T536 PolarHBondContact ND2-OG1 3.5Å
223V95.8Very high95Very high1 Ų153.1 Ų53.11%0.00626%0.262CS..Hα-helixtrans-59.8-49.4178.7169.60000112L219 E225 T226 L227 V233 W254 V325 I354L219-V223 HydrophobicContact CD1-CG2 4.2Å; L219-V223 WeakPolarHBondContact O-CB 3.44Å; L219-V223 VanDerWaalsContact O-CG2 3.24Å; L219-V223 WeakPolarHBondContact O-CG2 3.45Å; L219-V223 PolarHBondContact O-N 2.86Å; V223-E225 PolarHBondContact O-N 3.2Å; V223-T226 PolarHBondContact O-N 3.42Å; V223-L227 HydrophobicContact CG1-CD1 3.68Å; V223-L227 HydrophobicContact CG1-CG 4.38Å; V223-L227 WeakPolarHBondContact O-CB 3.16Å; V223-L227 VanDerWaalsContact O-CG 3.26Å; V223-L227 WeakPolarHBondContact O-CG 3.41Å; V223-L227 PolarHBondContact O-N 2.75Å; V223-V233 HydrophobicContact CG2-CG1 4.28Å; V223-W254 HydrophobicContact CG1-CH2 3.76Å; V223-W254 HydrophobicContact CG1-CZ3 4.41Å; V223-V325 HydrophobicContact CG1-CG2 3.88Å; V223-I354 HydrophobicContact CG2-CD1 4.01Å
224L93.8Very high95.4Very high27 Ų2746 Ų4614%0.14123%0.231CC..Hα-helixtrans-64.3-41.8-178.5-81.6170.1000112.9L220 T221 R228 L261L220-L224 HydrophobicContact CD1-CD1 3.76Å; L220-L224 HydrophobicContact CD1-CG 3.97Å; L220-L224 HydrophobicContact CG-CD1 3.8Å; L220-L224 HydrophobicContact CG-CG 4.44Å; L220-L224 VanDerWaalsContact O-CB 3.29Å; L220-L224 WeakPolarHBondContact O-CB 3.44Å; L220-L224 WeakPolarHBondContact O-CG 3.36Å; L220-L224 PolarHBondContact O-N 3.36Å; T221-L224 PolarHBondContact O-N 3.06Å; L224-R228 VanDerWaalsContact O-CB 3.3Å; L224-R228 WeakPolarHBondContact O-CB 3.39Å; L224-R228 WeakPolarHBondContact O-CG 3.31Å; L224-R228 PolarHBondContact O-N 3.07Å; L224-L261 HydrophobicContact CD2-CD1 4.12Å; L224-L261 HydrophobicContact CD2-CD2 3.38Å; L224-L261 HydrophobicContact CD2-CG 3.7Å; L224-L261 HydrophobicContact CG-CD2 4.24Å
225E95.4Very high95.6Very high114 Ų11440.4 Ų40.453%0.53321%0.205SC..Hα-helixtrans-63.5-44.2179.3-173-178.7-174.400111T221 N222 V223 G229 R534T221-E225 VanDerWaalsContact O-CB 3.29Å; T221-E225 WeakPolarHBondContact O-CB 3.45Å; T221-E225 PolarHBondContact O-N 3.03Å; N222-E225 PolarHBondContact O-N 2.99Å; V223-E225 PolarHBondContact O-N 3.2Å; E225-G229 PolarHBondContact O-N 3.41Å; E225-G229 VanDerWaalsContact O-N 3.09Å; E225-R534 VanDerWaalsContact CD-NH1 3.31Å; E225-R534 IonicContact OE1-NH1 3.82Å; E225-R534 IonicContact OE2-CZ 3.43Å; E225-R534 IonicContact OE2-NH1 3.72Å; E225-R534 PolarHBondContact OE2-NH1 2.84Å; E225-R534 IonicContact OE2-NH2 3.98Å
226T96.6Very high95.7Very high7 Ų740.1 Ų40.14%0.04320%0.204CC..Hα-helixtrans-64.3-48.4177.8-61.50000112N222 V223 R228 G229 D230 G231 N232 V233 K350 S352 R534N222-T226 WeakPolarHBondContact O-CB 3.3Å; N222-T226 PolarHBondContact O-N 2.88Å; N222-T226 VanDerWaalsContact O-N 3.11Å; N222-T226 PolarHBondContact O-OG1 3.19Å; V223-T226 PolarHBondContact O-N 3.42Å; T226-R228 PolarHBondContact O-N 2.86Å; T226-G229 CarbonylContact O-C 3.59Å; T226-G229 WeakPolarHBondContact O-CA 3.34Å; T226-G229 PolarHBondContact O-N 2.98Å; T226-G229 VanDerWaalsContact O-N 3.08Å; T226-D230 PolarHBondContact O-N 2.87Å; T226-G231 PolarHBondContact O-N 3.5Å; T226-N232 WeakPolarHBondContact CG2-O 3.27Å; T226-V233 HydrophobicContact CG2-CG2 3.49Å; T226-V233 VanDerWaalsContact CG2-CG2 3.49Å; T226-K350 WeakPolarHBondContact CG2-O 3.31Å; T226-S352 WeakPolarHBondContact OG1-CB 3.47Å; T226-R534 PolarHBondContact OG1-NH2 3.1Å
227L95.4Very high95.9Very high2 Ų238.9 Ų38.91%0.0120%0.197CC..Hα-helixtrans-64.3-39.8-179.8-68.5172000112.3V223 G229 D230 V233 W254 L261 Y264 P323 V325V223-L227 HydrophobicContact CG1-CD1 3.68Å; V223-L227 HydrophobicContact CG1-CG 4.38Å; V223-L227 WeakPolarHBondContact O-CB 3.16Å; V223-L227 VanDerWaalsContact O-CG 3.26Å; V223-L227 WeakPolarHBondContact O-CG 3.41Å; V223-L227 PolarHBondContact O-N 2.75Å; L227-G229 PolarHBondContact O-N 3.05Å; L227-D230 PolarHBondContact O-N 2.61Å; L227-D230 VanDerWaalsContact O-N 3.08Å; L227-V233 HydrophobicContact CG-CG2 4.48Å; L227-W254 HydrophobicContact CD1-CH2 4.4Å; L227-W254 HydrophobicContact CD1-CZ2 4.25Å; L227-L261 HydrophobicContact CD1-CD2 3.76Å; L227-Y264 HydrophobicContact CB-CD1 4.36Å; L227-Y264 HydrophobicContact CB-CD2 4.01Å; L227-Y264 HydrophobicContact CB-CE1 4.25Å; L227-Y264 HydrophobicContact CB-CE2 3.9Å; L227-Y264 HydrophobicContact CB-CG 4.22Å; L227-Y264 HydrophobicContact CD1-CD2 3.74Å; L227-Y264 HydrophobicContact CD1-CE2 4.38Å; L227-Y264 HydrophobicContact CD1-CG 3.94Å; L227-Y264 HydrophobicContact CD2-CD1 4.46Å; L227-Y264 HydrophobicContact CD2-CG 4.31Å; L227-Y264 HydrophobicContact CG-CD2 4.4Å; L227-Y264 HydrophobicContact CG-CG 4.4Å; L227-P323 HydrophobicContact CD2-CB 3.91Å; L227-P323 HydrophobicContact CD2-CG 4.33Å; L227-V325 HydrophobicContact CD1-CG2 3.73Å; L227-V325 HydrophobicContact CD2-CG2 3.88Å; L227-V325 HydrophobicContact CG-CG2 4.13Å
228R94Very high96Very high180 Ų18034.3 Ų34.368%0.67918%0.176SC*.Hα-helixtrans-67.1-24.3175.1-73.1174.2-179.5175.12.2112.8L224 T226 D230L224-R228 VanDerWaalsContact O-CB 3.3Å; L224-R228 WeakPolarHBondContact O-CB 3.39Å; L224-R228 WeakPolarHBondContact O-CG 3.31Å; L224-R228 PolarHBondContact O-N 3.07Å; T226-R228 PolarHBondContact O-N 2.86Å; R228-D230 PolarHBondContact O-N 3.39Å
229G95.1Very high95.9Very high39 Ų3930.8 Ų30.840%0.40216%0.16SC..THydrogen-bonded Turntrans-80.66.2171.800000114.5E225 T226 L227 G231E225-G229 PolarHBondContact O-N 3.41Å; E225-G229 VanDerWaalsContact O-N 3.09Å; T226-G229 CarbonylContact O-C 3.59Å; T226-G229 WeakPolarHBondContact O-CA 3.34Å; T226-G229 PolarHBondContact O-N 2.98Å; T226-G229 VanDerWaalsContact O-N 3.08Å; L227-G229 PolarHBondContact O-N 3.05Å; G229-G231 PolarHBondContact O-N 2.98Å
230D95.9Very high95.9Very high101 Ų10130.7 Ų30.754%0.5416%0.159SC..THydrogen-bonded Turntrans61.430.1-174.3-164.545.7000112.9T226 L227 R228T226-D230 PolarHBondContact O-N 2.87Å; L227-D230 PolarHBondContact O-N 2.61Å; L227-D230 VanDerWaalsContact O-N 3.08Å; R228-D230 PolarHBondContact O-N 3.39Å
231G96.6Very high95.9Very high0 Ų028.4 Ų28.40%015%0.147CC..  trans-102.8154.8176.700000112.7T226 G229 P323T226-G231 PolarHBondContact O-N 3.5Å; G229-G231 PolarHBondContact O-N 2.98Å; G231-P323 VanDerWaalsContact O-CB 3.32Å; G231-P323 WeakPolarHBondContact O-CB 3.47Å
232N97.6Very high95.9Very high19 Ų1924.5 Ų24.510%0.10212%0.123CC..  trans-88.5151171.8-59.4-60.7000110.8T226 S322 K324 W345 N351 S352T226-N232 WeakPolarHBondContact CG2-O 3.27Å; N232-S322 PolarHBondContact OD1-OG 3.41Å; N232-S322 VanDerWaalsContact OD1-OG 3.09Å; N232-K324 WeakPolarHBondContact CA-O 3.43Å; N232-K324 PolarHBondContact OD1-N 2.9Å; N232-K324 VanDerWaalsContact OD1-N 3.09Å; N232-K324 PolarHBondContact OD1-NZ 2.82Å; N232-W345 HydrophobicContact CB-CD2 4.1Å; N232-W345 HydrophobicContact CB-CE3 3.81Å; N232-W345 HydrophobicContact CB-CH2 3.88Å; N232-W345 HydrophobicContact CB-CZ2 4.2Å; N232-W345 HydrophobicContact CB-CZ3 3.69Å; N232-N351 PolarHBondContact N-OD1 3.34Å; N232-N351 WeakPolarHBondContact O-CA 3.18Å; N232-S352 PolarHBondContact O-N 2.78Å
233V98.3Very high95.9Very high0 Ų024 Ų240%012%0.12CC..EExtended strand (participates in β ladder)trans-113.9121.1174.8-175.80000109.1V223 T226 L227 I235 K324 V325 V326 S352 I354V223-V233 HydrophobicContact CG2-CG1 4.28Å; T226-V233 HydrophobicContact CG2-CG2 3.49Å; T226-V233 VanDerWaalsContact CG2-CG2 3.49Å; L227-V233 HydrophobicContact CG-CG2 4.48Å; V233-I235 HydrophobicContact CG1-CD1 4.42Å; V233-I235 HydrophobicContact CG1-CG1 3.9Å; V233-K324 PolarHBondContact N-O 3.06Å; V233-V325 HydrophobicContact CB-CB 4.38Å; V233-V325 HydrophobicContact CB-CG1 4.16Å; V233-V325 HydrophobicContact CB-CG2 4.06Å; V233-V325 HydrophobicContact CG1-CG1 4.35Å; V233-V325 HydrophobicContact CG2-CG2 4.2Å; V233-V325 WeakPolarHBondContact O-CA 3.33Å; V233-V326 PolarHBondContact O-N 3.28Å; V233-S352 WeakPolarHBondContact CA-O 3.35Å; V233-I354 HydrophobicContact CG1-CD1 3.75Å; V233-I354 HydrophobicContact CG1-CG1 4.09Å
234L98.3Very high96Very high0 Ų024.1 Ų24.10%012%0.121CC..EExtended strand (participates in β ladder)trans-94.6129.7165.9173.962.1000108.6A328 L341 F342 W345 S352 I353 I354L234-A328 HydrophobicContact CD1-CB 3.64Å; L234-L341 HydrophobicContact CD1-CB 3.91Å; L234-L341 HydrophobicContact CD1-CD2 3.94Å; L234-L341 HydrophobicContact CD2-CB 4.03Å; L234-F342 HydrophobicContact CD2-CB 3.93Å; L234-W345 HydrophobicContact CB-CE3 3.91Å; L234-W345 HydrophobicContact CB-CZ3 4.06Å; L234-S352 PolarHBondContact N-O 3.04Å; L234-I353 HydrophobicContact CB-CG1 4.3Å; L234-I353 HydrophobicContact CD2-CG1 4.36Å; L234-I353 HydrophobicContact CD2-CG2 4.33Å; L234-I353 CarbonylContact O-C 3.59Å; L234-I353 WeakPolarHBondContact O-CA 3.43Å; L234-I354 PolarHBondContact O-N 2.78Å
235I98.3Very high96Very high0 Ų022.9 Ų22.90%011%0.114CC..EExtended strand (participates in β ladder)trans-118.6112.1170.6-49.5-173.9000107.2L219 V233 V237 L250 V325 V326 L327 A328 I354 T356L219-I235 HydrophobicContact CD1-CD1 4.38Å; V233-I235 HydrophobicContact CG1-CD1 4.42Å; V233-I235 HydrophobicContact CG1-CG1 3.9Å; I235-V237 HydrophobicContact CG2-CG1 3.76Å; I235-V237 PolarHBondContact O-N 3.41Å; I235-L250 HydrophobicContact CD1-CD1 4Å; I235-V325 HydrophobicContact CD1-CG1 3.83Å; I235-V325 HydrophobicContact CG1-CG1 4.25Å; I235-V326 PolarHBondContact N-O 3.22Å; I235-L327 HydrophobicContact CB-CD2 3.73Å; I235-L327 HydrophobicContact CD1-CD2 3.8Å; I235-L327 HydrophobicContact CG1-CD2 4.17Å; I235-L327 HydrophobicContact CG2-CD2 4Å; I235-A328 PolarHBondContact O-N 3.36Å; I235-I354 WeakPolarHBondContact CA-O 3.31Å; I235-I354 HydrophobicContact CG1-CB 4.24Å; I235-I354 HydrophobicContact CG1-CD1 4.46Å; I235-I354 HydrophobicContact CG2-CB 4.42Å; I235-T356 HydrophobicContact CG2-CG2 3.46Å; I235-T356 VanDerWaalsContact CG2-CG2 3.46Å
236A97.4Very high96.1Very high0 Ų017.4 Ų17.40%09%0.089CC..EExtended strand (participates in β ladder)trans-79.6114.7178.200000108.5L333 S338 I354 L355 T356A236-L333 HydrophobicContact CB-CD2 4.31Å; A236-S338 WeakPolarHBondContact CB-OG 3.39Å; A236-I354 PolarHBondContact N-O 3.01Å; A236-L355 HydrophobicContact CB-CD2 3.86Å; A236-T356 PolarHBondContact O-OG1 3.19Å
237V96.3Very high96.1Very high0 Ų017.1 Ų17.10%09%0.087CC..EExtended strand (participates in β ladder)trans-132.5170.4-176.3-61.80000110.4I235 V243 L246 L327 A328 S329 Q330I235-V237 HydrophobicContact CG2-CG1 3.76Å; I235-V237 PolarHBondContact O-N 3.41Å; V237-V243 HydrophobicContact CB-CB 4.28Å; V237-V243 HydrophobicContact CG2-CB 3.99Å; V237-V243 HydrophobicContact CG2-CG2 3.83Å; V237-L246 HydrophobicContact CG1-CD1 3.42Å; V237-L246 VanDerWaalsContact CG1-CD1 3.42Å; V237-L327 HydrophobicContact CG1-CD2 4.34Å; V237-L327 HydrophobicContact CG2-CB 4.04Å; V237-A328 WeakPolarHBondContact CG2-O 3.32Å; V237-A328 PolarHBondContact N-O 3.2Å; V237-S329 CarbonylContact O-C 3.55Å; V237-S329 WeakPolarHBondContact O-CA 3.32Å; V237-Q330 CarbonylContact O-C 3.5Å; V237-Q330 PolarHBondContact O-N 3.03Å
238D95.1Very high96Very high9 Ų917.4 Ų17.45%0.0489%0.088CC..  trans-79170.9171.870.1-35.9000112.2F97 G241 R242 V243F97-D238 HydrophobicContact CE1-CB 3.84Å; F97-D238 HydrophobicContact CZ-CB 3.96Å; F97-D238 WeakPolarHBondContact CZ-OD2 3.34Å; D238-G241 WeakPolarHBondContact OD2-CA 3.11Å; D238-G241 PolarHBondContact OD2-N 3.48Å; D238-R242 VanDerWaalsContact OD1-CA 3.3Å; D238-R242 WeakPolarHBondContact OD1-CA 3.45Å; D238-R242 VanDerWaalsContact OD1-CB 3.28Å; D238-R242 WeakPolarHBondContact OD1-CB 3.2Å; D238-R242 PolarHBondContact OD1-N 3.44Å; D238-R242 PolarHBondContact OD2-N 3.08Å; D238-V243 WeakPolarHBondContact O-CB 3.36Å; D238-V243 WeakPolarHBondContact O-CG1 3.37Å; D238-V243 PolarHBondContact OD1-N 2.75Å
239T94.4Very high96Very high1 Ų19.4 Ų9.41%0.0066%0.059CC..SBendtrans-75.7-41.1-172.8-560000113D100 V243 N270 V272 V276D100-T239 HydrophobicContact CB-CG2 3.46Å; D100-T239 VanDerWaalsContact CB-CG2 3.46Å; D100-T239 VanDerWaalsContact OD2-CG2 3.31Å; D100-T239 WeakPolarHBondContact OD2-CG2 3.4Å; D100-T239 PolarHBondContact OD2-OG1 3.27Å; T239-V243 WeakPolarHBondContact O-CG1 3.27Å; T239-N270 PolarHBondContact O-ND2 3.47Å; T239-V272 HydrophobicContact CG2-CG2 4.1Å; T239-V276 HydrophobicContact CG2-CG2 4.32Å
240A94.4Very high96Very high0 Ų07.6 Ų7.60%04%0.04CC..SBendtrans-145.10.3-168.300000116.3M93 M96 F97 L244 V276M93-A240 HydrophobicContact CB-CB 3.97Å; M93-A240 HydrophobicContact CG-CB 4.34Å; M93-A240 HydrophobicContact SD-CB 3.84Å; M96-A240 HydrophobicContact CB-CB 4.32Å; F97-A240 HydrophobicContact CD2-CB 3.96Å; F97-A240 HydrophobicContact CE2-CB 3.72Å; F97-A240 HydrophobicContact CZ-CB 4.4Å; A240-L244 WeakPolarHBondContact O-CD1 3.44Å; A240-V276 HydrophobicContact CB-CG1 4Å; A240-V276 HydrophobicContact CB-CG2 3.99Å
241G94.3Very high95.8Very high0 Ų02.8 Ų2.80%01%0.014CC..SBendtrans-100.9-92.6178.600000112.6D238 V243 L244D238-G241 WeakPolarHBondContact OD2-CA 3.11Å; D238-G241 PolarHBondContact OD2-N 3.48Å; G241-V243 PolarHBondContact O-N 3.48Å; G241-L244 VanDerWaalsContact O-CB 3.32Å; G241-L244 WeakPolarHBondContact O-CB 3.34Å; G241-L244 PolarHBondContact O-N 3.08Å; G241-L244 VanDerWaalsContact O-N 3.08Å
242R95.1Very high95.5Very high5 Ų56.6 Ų6.62%0.0193%0.032CC..Hα-helixtrans-62.9-25.4-176.9-55.5-54.9-55.6155.52.9113.6H153 M154 E181 D238 L244 E245 L246 Y540 E541H153-R242 WeakPolarHBondContact O-CD 3.35Å; H153-R242 PolarHBondContact O-NH1 2.95Å; M154-R242 HydrophobicContact CE-CG 4.36Å; E181-R242 IonicContact OE1-NH1 3.51Å; E181-R242 IonicContact OE1-NH2 3.3Å; E181-R242 PolarHBondContact OE1-NH2 3.33Å; E181-R242 IonicContact OE2-CZ 3.37Å; E181-R242 IonicContact OE2-NH1 3.85Å; E181-R242 PolarHBondContact OE2-NH1 3.41Å; E181-R242 IonicContact OE2-NH2 3.52Å; E181-R242 PolarHBondContact OE2-NH2 2.75Å; D238-R242 VanDerWaalsContact OD1-CA 3.3Å; D238-R242 WeakPolarHBondContact OD1-CA 3.45Å; D238-R242 VanDerWaalsContact OD1-CB 3.28Å; D238-R242 WeakPolarHBondContact OD1-CB 3.2Å; D238-R242 PolarHBondContact OD1-N 3.44Å; D238-R242 PolarHBondContact OD2-N 3.08Å; R242-L244 PolarHBondContact O-N 3.07Å; R242-E245 WeakPolarHBondContact O-CB 3.39Å; R242-E245 PolarHBondContact O-N 3.48Å; R242-L246 PolarHBondContact O-N 3.4Å; R242-L246 VanDerWaalsContact O-N 3.13Å; R242-Y540 PolarHBondContact NE-O 3.39Å; R242-Y540 PolarHBondContact NH2-O 3.04Å; R242-E541 WeakPolarHBondContact CD-O 3.46Å; R242-E541 PolarHBondContact NE-O 2.92Å
243V96.5Very high95.1Very high0 Ų07.1 Ų7.10%03%0.034CC..Hα-helixtrans-55.7-31.5171.864.70000111.7V237 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 3.83Å; D238-V243 WeakPolarHBondContact O-CB 3.36Å; D238-V243 WeakPolarHBondContact O-CG1 3.37Å; D238-V243 PolarHBondContact OD1-N 2.75Å; T239-V243 WeakPolarHBondContact O-CG1 3.27Å; G241-V243 PolarHBondContact O-N 3.48Å; V243-L246 PolarHBondContact O-N 3.47Å; V243-A247 WeakPolarHBondContact O-CB 3.41Å; V243-A247 PolarHBondContact O-N 3.49Å; V243-L268 HydrophobicContact CG2-CD1 3.61Å; V243-L268 HydrophobicContact CG2-CG 4.3Å; V243-L327 HydrophobicContact CG2-CD1 4.26Å
244L96.1Very high94.8Very high2 Ų27.4 Ų7.41%0.014%0.036CC..Hα-helixtrans-67.3-37.4176.7-60.3-177.1000111.8M93 I155 A240 G241 R242 Q248 V276 F303M93-L244 HydrophobicContact CE-CD1 4.24Å; I155-L244 HydrophobicContact CB-CD1 4.35Å; I155-L244 HydrophobicContact CG2-CD1 3.96Å; A240-L244 WeakPolarHBondContact O-CD1 3.44Å; G241-L244 VanDerWaalsContact O-CB 3.32Å; G241-L244 WeakPolarHBondContact O-CB 3.34Å; G241-L244 PolarHBondContact O-N 3.08Å; G241-L244 VanDerWaalsContact O-N 3.08Å; R242-L244 PolarHBondContact O-N 3.07Å; L244-Q248 WeakPolarHBondContact O-CB 3.21Å; L244-Q248 PolarHBondContact O-N 3.23Å; L244-Q248 VanDerWaalsContact O-N 3.12Å; L244-V276 HydrophobicContact CD2-CG1 4.1Å; L244-F303 HydrophobicContact CB-CE1 3.76Å; L244-F303 HydrophobicContact CB-CZ 4.16Å; L244-F303 HydrophobicContact CD2-CD1 4.16Å; L244-F303 HydrophobicContact CD2-CE1 3.78Å; L244-F303 HydrophobicContact CG-CE1 4.21Å
245E95.8Very high94.3Very high1 Ų112.2 Ų12.21%0.0055%0.054CC..Hα-helixtrans-66.6-47174.3-177.269.3-172.700110.6I182 H183 R212 R242 Q248 L249I182-E245 WeakPolarHBondContact CB-OE1 3.49Å; I182-E245 WeakPolarHBondContact CB-OE2 3.49Å; I182-E245 WeakPolarHBondContact CG1-OE1 3.44Å; I182-E245 PolarHBondContact N-OE1 3Å; I182-E245 PolarHBondContact N-OE2 2.88Å; I182-E245 VanDerWaalsContact N-OE2 3.15Å; H183-E245 IonicContact CE1-OE2 3.63Å; H183-E245 IonicContact CG-OE2 2.67Å; H183-E245 PolarHBondContact N-OE2 2.99Å; H183-E245 IonicContact ND1-OE2 3.54Å; H183-E245 PolarHBondContact ND1-OE2 2.84Å; R212-E245 IonicContact CZ-OE1 2.63Å; R212-E245 IonicContact NE-OE1 3.89Å; R212-E245 IonicContact NH2-OE1 2.8Å; R212-E245 PolarHBondContact NH2-OE1 3.33Å; R242-E245 WeakPolarHBondContact O-CB 3.39Å; R242-E245 PolarHBondContact O-N 3.48Å; E245-Q248 PolarHBondContact O-N 3.37Å; E245-L249 VanDerWaalsContact O-CB 3.26Å; E245-L249 WeakPolarHBondContact O-CB 3.24Å; E245-L249 PolarHBondContact O-N 2.82Å
246L96.2Very high93.6Very high0 Ų016 Ų160%08%0.077CC..Hα-helixtrans-69.4-43.2-178.1-80.6155.7000112.5L219 V237 R242 V243 Q248 L249 L250 T356 Y540L219-L246 HydrophobicContact CD2-CD2 3.88Å; V237-L246 HydrophobicContact CG1-CD1 3.42Å; V237-L246 VanDerWaalsContact CG1-CD1 3.42Å; R242-L246 PolarHBondContact O-N 3.4Å; R242-L246 VanDerWaalsContact O-N 3.13Å; V243-L246 PolarHBondContact O-N 3.47Å; L246-Q248 VanDerWaalsContact C-N 3.31Å; L246-Q248 PolarHBondContact O-N 3.45Å; L246-L249 PolarHBondContact O-N 3.03Å; L246-L250 WeakPolarHBondContact O-CB 3.48Å; L246-L250 VanDerWaalsContact O-CG 3.26Å; L246-L250 WeakPolarHBondContact O-CG 3.45Å; L246-L250 PolarHBondContact O-N 3.19Å; L246-T356 HydrophobicContact CD1-CG2 3.87Å; L246-T356 HydrophobicContact CD2-CG2 4.47Å; L246-Y540 HydrophobicContact CD2-CD1 4.4Å; L246-Y540 HydrophobicContact CD2-CD2 4.01Å; L246-Y540 HydrophobicContact CD2-CE2 4.2Å; L246-Y540 HydrophobicContact CD2-CG 4.12Å; L246-Y540 HydrophobicContact CG-CG 4.47Å
247A96Very high92.3Very high0 Ų025.6 Ų25.60%012%0.119CC..Hα-helixtrans-60.7-43.1175.200000111V243 D251 F305 L308 L327V243-A247 WeakPolarHBondContact O-CB 3.41Å; V243-A247 PolarHBondContact O-N 3.49Å; A247-D251 VanDerWaalsContact O-CB 3.32Å; A247-D251 WeakPolarHBondContact O-CB 3.4Å; A247-D251 PolarHBondContact O-N 3.15Å; A247-F305 HydrophobicContact CB-CE1 4.28Å; A247-F305 HydrophobicContact CB-CE2 4.22Å; A247-F305 HydrophobicContact CB-CZ 3.73Å; A247-L308 HydrophobicContact CB-CD2 4.01Å; A247-L327 HydrophobicContact CB-CD1 3.97Å
248Q94.7Very high91.3Very high9 Ų933.2 Ų33.24%0.04216%0.159CC..Hα-helixtrans-68.7-40177.7-173.363.3-2.200112.6I182 L244 E245 L246 Q252 P302I182-Q248 HydrophobicContact CG2-CB 4.44Å; I182-Q248 HydrophobicContact CG2-CG 3.57Å; L244-Q248 WeakPolarHBondContact O-CB 3.21Å; L244-Q248 PolarHBondContact O-N 3.23Å; L244-Q248 VanDerWaalsContact O-N 3.12Å; E245-Q248 PolarHBondContact O-N 3.37Å; L246-Q248 VanDerWaalsContact C-N 3.31Å; L246-Q248 PolarHBondContact O-N 3.45Å; Q248-Q252 VanDerWaalsContact NE2-NE2 3.16Å; Q248-Q252 WeakPolarHBondContact O-CB 3.24Å; Q248-Q252 WeakPolarHBondContact O-CG 3.47Å; Q248-Q252 PolarHBondContact O-N 2.91Å; Q248-Q252 VanDerWaalsContact O-N 3.16Å; Q248-P302 PolarHBondContact OE1-O 2.81Å
249L94Very high90.1Very high11 Ų1133.9 Ų33.96%0.05817%0.166CC..Hα-helixtrans-61.1-51.2174.4174.862.5000111.1I182 L219 E245 L246 Q252 I253 Y540I182-L249 HydrophobicContact CD1-CB 3.87Å; I182-L249 HydrophobicContact CD1-CD1 3.84Å; I182-L249 HydrophobicContact CD1-CG 4.42Å; L219-L249 HydrophobicContact CD2-CD2 3.87Å; E245-L249 VanDerWaalsContact O-CB 3.26Å; E245-L249 WeakPolarHBondContact O-CB 3.24Å; E245-L249 PolarHBondContact O-N 2.82Å; L246-L249 PolarHBondContact O-N 3.03Å; L249-Q252 PolarHBondContact O-N 3.25Å; L249-I253 HydrophobicContact CD1-CD1 3.88Å; L249-I253 HydrophobicContact CD1-CG1 4.5Å; L249-I253 HydrophobicContact CG-CD1 4.05Å; L249-I253 VanDerWaalsContact O-CG1 3.31Å; L249-I253 WeakPolarHBondContact O-CG1 3.19Å; L249-I253 PolarHBondContact O-N 3.06Å; L249-I253 VanDerWaalsContact O-N 3.11Å; L249-Y540 HydrophobicContact CD2-CE1 3.93Å
250L94.3Very high89.4Confident2 Ų236.2 Ų36.21%0.0119%0.19CC..Hα-helixtrans-67.7-44.4-176.9-66.9171000111.5L219 I235 L246 Q252 I253 W254 L266 L327L219-L250 HydrophobicContact CD2-CD2 4.39Å; I235-L250 HydrophobicContact CD1-CD1 4Å; L246-L250 WeakPolarHBondContact O-CB 3.48Å; L246-L250 VanDerWaalsContact O-CG 3.26Å; L246-L250 WeakPolarHBondContact O-CG 3.45Å; L246-L250 PolarHBondContact O-N 3.19Å; L250-Q252 VanDerWaalsContact C-N 3.3Å; L250-Q252 PolarHBondContact O-N 3.49Å; L250-I253 PolarHBondContact O-N 2.77Å; L250-I253 VanDerWaalsContact O-N 3.12Å; L250-W254 HydrophobicContact CB-CE3 4.31Å; L250-W254 HydrophobicContact CB-CZ3 4.27Å; L250-W254 HydrophobicContact CD2-CZ3 3.76Å; L250-W254 WeakPolarHBondContact O-CB 3.42Å; L250-W254 PolarHBondContact O-N 2.95Å; L250-L266 HydrophobicContact CB-CD1 4.38Å; L250-L266 HydrophobicContact CB-CD2 3.82Å; L250-L266 HydrophobicContact CD1-CD1 4.01Å; L250-L327 HydrophobicContact CD1-CD1 4.38Å; L250-L327 HydrophobicContact CD1-CD2 3.78Å; L250-L327 HydrophobicContact CD1-CG 4.38Å
251D92.8Very high88.9Confident0 Ų036.2 Ų36.20%019%0.19CC..Hα-helixtrans-64.6-34.3178.8-169.976.3000111.8A247 W254 R255 F305 R306 H307A247-D251 VanDerWaalsContact O-CB 3.32Å; A247-D251 WeakPolarHBondContact O-CB 3.4Å; A247-D251 PolarHBondContact O-N 3.15Å; D251-W254 PolarHBondContact O-N 3.41Å; D251-R255 VanDerWaalsContact O-CG 3.22Å; D251-R255 WeakPolarHBondContact O-CG 3.44Å; D251-R255 PolarHBondContact O-N 2.76Å; D251-R255 IonicContact OD2-CZ 2.78Å; D251-R255 IonicContact OD2-NE 3.89Å; D251-R255 PolarHBondContact OD2-NE 3.01Å; D251-R255 IonicContact OD2-NH2 3.51Å; D251-R255 PolarHBondContact OD2-NH2 3.42Å; D251-F305 HydrophobicContact CB-CD1 3.66Å; D251-F305 HydrophobicContact CB-CE1 4.16Å; D251-R306 PolarHBondContact OD1-N 2.78Å; D251-H307 IonicContact OD1-CD2 2.75Å; D251-H307 PolarHBondContact OD1-N 3.41Å; D251-H307 VanDerWaalsContact OD1-N 3.07Å
252Q89.8Confident88.3Confident80 Ų8038.8 Ų38.837%0.37422%0.216SC..Hα-helixtrans-63.7-41.7171.8-75.6176.916.600112.7Q248 L249 L250 T256Q248-Q252 VanDerWaalsContact NE2-NE2 3.16Å; Q248-Q252 WeakPolarHBondContact O-CB 3.24Å; Q248-Q252 WeakPolarHBondContact O-CG 3.47Å; Q248-Q252 PolarHBondContact O-N 2.91Å; Q248-Q252 VanDerWaalsContact O-N 3.16Å; L249-Q252 PolarHBondContact O-N 3.25Å; L250-Q252 VanDerWaalsContact C-N 3.3Å; L250-Q252 PolarHBondContact O-N 3.49Å; Q252-T256 PolarHBondContact O-OG1 3.13Å; Q252-T256 VanDerWaalsContact O-OG1 3.12Å
253I90.1Very high88Confident29 Ų2944 Ų4415%0.14925%0.249CC..Hα-helixtrans-66.5-43.3176.5-69.1169000110.3L220 L249 L250 R255 T256 L261L220-I253 HydrophobicContact CD1-CG2 3.69Å; L220-I253 HydrophobicContact CD2-CG2 4.46Å; L249-I253 HydrophobicContact CD1-CD1 3.88Å; L249-I253 HydrophobicContact CD1-CG1 4.5Å; L249-I253 HydrophobicContact CG-CD1 4.05Å; L249-I253 VanDerWaalsContact O-CG1 3.31Å; L249-I253 WeakPolarHBondContact O-CG1 3.19Å; L249-I253 PolarHBondContact O-N 3.06Å; L249-I253 VanDerWaalsContact O-N 3.11Å; L250-I253 PolarHBondContact O-N 2.77Å; L250-I253 VanDerWaalsContact O-N 3.12Å; I253-R255 VanDerWaalsContact C-N 3.3Å; I253-R255 PolarHBondContact O-N 2.95Å; I253-T256 WeakPolarHBondContact O-CB 3.49Å; I253-T256 PolarHBondContact O-N 2.79Å; I253-L261 HydrophobicContact CG2-CD1 3.59Å
254W91.5Very high87.8Confident7 Ų746.4 Ų46.43%0.02726%0.258CS..Hα-helixtrans-62.9-34179.2-103.6-111.8000113.2V223 L227 L250 D251 T256 L261 Y264 L266 H307 V325V223-W254 HydrophobicContact CG1-CH2 3.76Å; V223-W254 HydrophobicContact CG1-CZ3 4.41Å; L227-W254 HydrophobicContact CD1-CH2 4.4Å; L227-W254 HydrophobicContact CD1-CZ2 4.25Å; L250-W254 HydrophobicContact CB-CE3 4.31Å; L250-W254 HydrophobicContact CB-CZ3 4.27Å; L250-W254 HydrophobicContact CD2-CZ3 3.76Å; L250-W254 WeakPolarHBondContact O-CB 3.42Å; L250-W254 PolarHBondContact O-N 2.95Å; D251-W254 PolarHBondContact O-N 3.41Å; W254-T256 PolarHBondContact O-N 3.28Å; W254-L261 HydrophobicContact CD2-CB 3.92Å; W254-L261 HydrophobicContact CD2-CD1 4.26Å; W254-L261 HydrophobicContact CE3-CB 4.31Å; W254-L261 HydrophobicContact CE3-CD1 3.79Å; W254-L261 HydrophobicContact CG-CB 4.19Å; W254-L261 HydrophobicContact CH2-CD1 4.17Å; W254-L261 HydrophobicContact CH2-CD2 4.07Å; W254-L261 HydrophobicContact CZ2-CB 4.37Å; W254-L261 HydrophobicContact CZ2-CD2 4.03Å; W254-L261 HydrophobicContact CZ3-CD1 3.75Å; W254-L261 HydrophobicContact CZ3-CD2 4.48Å; W254-L261 PolarHBondContact NE1-O 3.29Å; W254-Y264 PolarHBondContact NE1-O 3.26Å; W254-L266 HydrophobicContact CD2-CD2 4.44Å; W254-L266 HydrophobicContact CH2-CD1 4.46Å; W254-L266 HydrophobicContact CZ2-CB 4.48Å; W254-L266 HydrophobicContact CZ2-CD1 4.45Å; W254-H307 HydrophobicContact CB-CB 4.04Å; W254-H307 HydrophobicContact CG-CB 4.25Å; W254-V325 HydrophobicContact CH2-CG2 3.91Å; W254-V325 HydrophobicContact CZ2-CG2 4.01Å
255R86.9Confident87.8Confident100 Ų10047.2 Ų47.238%0.37726%0.264SS..Hα-helixtrans-66.2-22.7174-71.6169.8-167.4-157.12.5112.7D251 I253 K257 Q304D251-R255 VanDerWaalsContact O-CG 3.22Å; D251-R255 WeakPolarHBondContact O-CG 3.44Å; D251-R255 PolarHBondContact O-N 2.76Å; D251-R255 IonicContact OD2-CZ 2.78Å; D251-R255 IonicContact OD2-NE 3.89Å; D251-R255 PolarHBondContact OD2-NE 3.01Å; D251-R255 IonicContact OD2-NH2 3.51Å; D251-R255 PolarHBondContact OD2-NH2 3.42Å; I253-R255 VanDerWaalsContact C-N 3.3Å; I253-R255 PolarHBondContact O-N 2.95Å; R255-K257 PolarHBondContact O-N 3.47Å; R255-Q304 PolarHBondContact NH2-O 3.32Å
256T84.1Confident87.8Confident79 Ų7947.2 Ų47.249%0.48526%0.264SS..  trans-81.2110.5-175.6-56.20000110.3Q252 I253 W254 D258 A259Q252-T256 PolarHBondContact O-OG1 3.13Å; Q252-T256 VanDerWaalsContact O-OG1 3.12Å; I253-T256 WeakPolarHBondContact O-CB 3.49Å; I253-T256 PolarHBondContact O-N 2.79Å; W254-T256 PolarHBondContact O-N 3.28Å; T256-D258 HydrophobicContact CG2-CB 4.21Å; T256-D258 PolarHBondContact O-N 3.43Å; T256-D258 VanDerWaalsContact O-N 3.13Å; T256-A259 PolarHBondContact O-N 2.84Å; T256-A259 VanDerWaalsContact O-N 3.16Å
257K69.4Low87.8Confident203 Ų20347.2 Ų47.288%0.88326%0.264SS*.G310 helixtrans-58.6-28.2-175.6-69.2-169.7176.4-176.20114.3R255 A259 G260R255-K257 PolarHBondContact O-N 3.47Å; K257-A259 PolarHBondContact O-N 3.07Å; K257-G260 PolarHBondContact O-N 3.1Å
258D75.2Confident87.9Confident159 Ų15947.3 Ų47.385%0.8526%0.264SS*.G310 helixtrans-64.9-26.3-178.6-160.743.2000112.8T256 G260T256-D258 HydrophobicContact CG2-CB 4.21Å; T256-D258 PolarHBondContact O-N 3.43Å; T256-D258 VanDerWaalsContact O-N 3.13Å; D258-G260 VanDerWaalsContact C-N 3.35Å
259A71.7Confident88Confident24 Ų2446.9 Ų46.920%0.19826%0.262CS..G310 helixtrans-77.3-20-179.800000113.4T256 K257 L261T256-A259 PolarHBondContact O-N 2.84Å; T256-A259 VanDerWaalsContact O-N 3.16Å; K257-A259 PolarHBondContact O-N 3.07Å; A259-L261 HydrophobicContact CB-CB 4.4Å; A259-L261 HydrophobicContact CB-CD1 3.84Å; A259-L261 HydrophobicContact CB-CG 4.06Å; A259-L261 PolarHBondContact O-N 3.41Å
260G79.3Confident88Confident49 Ų4946.3 Ų46.351%0.50526%0.26SS..  trans63.515.2-176.400000114.7K257 D258K257-G260 PolarHBondContact O-N 3.1Å; D258-G260 VanDerWaalsContact C-N 3.35Å
261L83.6Confident87.9Confident1 Ų147.6 Ų47.61%0.00527%0.266CS..G310 helixtrans-80.1-15.3-174.1-78.7167.3000114.4L220 L224 L227 I253 W254 A259 V263 Y264L220-L261 HydrophobicContact CD1-CD1 3.88Å; L224-L261 HydrophobicContact CD2-CD1 4.12Å; L224-L261 HydrophobicContact CD2-CD2 3.38Å; L224-L261 HydrophobicContact CD2-CG 3.7Å; L224-L261 HydrophobicContact CG-CD2 4.24Å; L227-L261 HydrophobicContact CD1-CD2 3.76Å; I253-L261 HydrophobicContact CG2-CD1 3.59Å; W254-L261 HydrophobicContact CD2-CB 3.92Å; W254-L261 HydrophobicContact CD2-CD1 4.26Å; W254-L261 HydrophobicContact CE3-CB 4.31Å; W254-L261 HydrophobicContact CE3-CD1 3.79Å; W254-L261 HydrophobicContact CG-CB 4.19Å; W254-L261 HydrophobicContact CH2-CD1 4.17Å; W254-L261 HydrophobicContact CH2-CD2 4.07Å; W254-L261 HydrophobicContact CZ2-CB 4.37Å; W254-L261 HydrophobicContact CZ2-CD2 4.03Å; W254-L261 HydrophobicContact CZ3-CD1 3.75Å; W254-L261 HydrophobicContact CZ3-CD2 4.48Å; W254-L261 PolarHBondContact NE1-O 3.29Å; A259-L261 HydrophobicContact CB-CB 4.4Å; A259-L261 HydrophobicContact CB-CD1 3.84Å; A259-L261 HydrophobicContact CB-CG 4.06Å; A259-L261 PolarHBondContact O-N 3.41Å; L261-V263 PolarHBondContact O-N 3.46Å; L261-Y264 HydrophobicContact CD2-CD2 3.82Å; L261-Y264 HydrophobicContact CD2-CE2 4.38Å; L261-Y264 PolarHBondContact O-N 2.9Å
262G81.6Confident88.1Confident53 Ų5348.6 Ų48.655%0.54627%0.273SS..G310 helixtrans-63.5-7.4-177.200000115.5
263V87.8Confident88.2Confident115 Ų11544.8 Ų44.870%0.69726%0.255SS*.G310 helixtrans-83.3-22.6171.668.60000112.7L261L261-V263 PolarHBondContact O-N 3.46Å
264Y94.1Very high88.4Confident50 Ų5049.2 Ų49.220%0.19627%0.271CS..SBendtrans-97142.7-177-57-58.9000111.3L227 W254 L261 P323L227-Y264 HydrophobicContact CB-CD1 4.36Å; L227-Y264 HydrophobicContact CB-CD2 4.01Å; L227-Y264 HydrophobicContact CB-CE1 4.25Å; L227-Y264 HydrophobicContact CB-CE2 3.9Å; L227-Y264 HydrophobicContact CB-CG 4.22Å; L227-Y264 HydrophobicContact CD1-CD2 3.74Å; L227-Y264 HydrophobicContact CD1-CE2 4.38Å; L227-Y264 HydrophobicContact CD1-CG 3.94Å; L227-Y264 HydrophobicContact CD2-CD1 4.46Å; L227-Y264 HydrophobicContact CD2-CG 4.31Å; L227-Y264 HydrophobicContact CG-CD2 4.4Å; L227-Y264 HydrophobicContact CG-CG 4.4Å; W254-Y264 PolarHBondContact NE1-O 3.26Å; L261-Y264 HydrophobicContact CD2-CD2 3.82Å; L261-Y264 HydrophobicContact CD2-CE2 4.38Å; L261-Y264 PolarHBondContact O-N 2.9Å; Y264-P323 HydrophobicContact CD1-CG 3.53Å; Y264-P323 HydrophobicContact CE1-CG 3.5Å; Y264-P323 VanDerWaalsContact CE1-CG 3.5Å
265S94.6Very high88.6Confident20 Ų2052 Ų5214%0.1429%0.286CS..EExtended strand (participates in β ladder)trans-79.6138.9-178.3-45.40000111.3P321 K324 V325S265-P321 PolarHBondContact OG-O 3.12Å; S265-K324 WeakPolarHBondContact O-CA 3.27Å; S265-V325 PolarHBondContact O-N 2.96Å
266L95.6Very high89Confident1 Ų147.2 Ų47.21%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-117.2128.3172-175.665.8000108.1L250 W254 L308 S309 V325L250-L266 HydrophobicContact CB-CD1 4.38Å; L250-L266 HydrophobicContact CB-CD2 3.82Å; L250-L266 HydrophobicContact CD1-CD1 4.01Å; W254-L266 HydrophobicContact CD2-CD2 4.44Å; W254-L266 HydrophobicContact CH2-CD1 4.46Å; W254-L266 HydrophobicContact CZ2-CB 4.48Å; W254-L266 HydrophobicContact CZ2-CD1 4.45Å; L266-L308 HydrophobicContact CB-CD1 4.43Å; L266-L308 HydrophobicContact CD2-CD1 3.77Å; L266-L308 HydrophobicContact CG-CD1 3.55Å; L266-S309 PolarHBondContact O-N 2.87Å; L266-V325 WeakPolarHBondContact CA-O 3.17Å; L266-V325 HydrophobicContact CD1-CB 3.69Å; L266-V325 HydrophobicContact CD1-CG1 3.71Å
267A97Very high89.5Confident0 Ų043.7 Ų43.70%025%0.246CC..EExtended strand (participates in β ladder)trans-130.1148.7-17800000112.3S309 L317 V325 V326 L327A267-S309 CarbonylContact C-O 3.48Å; A267-S309 WeakPolarHBondContact CA-O 3.41Å; A267-L317 HydrophobicContact CB-CD1 3.88Å; A267-V325 PolarHBondContact N-O 2.81Å; A267-V326 HydrophobicContact CB-CG2 4.34Å; A267-V326 WeakPolarHBondContact O-CA 3.1Å; A267-L327 PolarHBondContact O-N 3.02Å
268L97.6Very high90.8Very high1 Ų137.5 Ų37.51%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-117.7120.7170.5-172.7153.8000108.1V243 N270 L308 S309 L310 C311 L327V243-L268 HydrophobicContact CG2-CD1 3.61Å; V243-L268 HydrophobicContact CG2-CG 4.3Å; L268-N270 HydrophobicContact CD2-CB 4.32Å; L268-L308 HydrophobicContact CB-CD1 4.04Å; L268-L308 HydrophobicContact CB-CD2 4.05Å; L268-L308 HydrophobicContact CB-CG 4.11Å; L268-L308 HydrophobicContact CD1-CD2 3.97Å; L268-S309 PolarHBondContact N-O 3.03Å; L268-L310 HydrophobicContact CB-CD2 4.22Å; L268-C311 PolarHBondContact O-N 2.72Å; L268-L327 WeakPolarHBondContact CA-O 3.46Å; L268-L327 HydrophobicContact CG-CB 4.48Å
269L96.4Very high91.7Very high0 Ų032.5 Ų32.50%019%0.191CC..EExtended strand (participates in β ladder)trans-122.395.9-170.8-178.464000111C311 L314 L317 V326 L327 S329 F337 L341L269-C311 HydrophobicContact CB-CB 4.5Å; L269-C311 HydrophobicContact CD1-CB 3.62Å; L269-L314 HydrophobicContact CD2-CD2 4.14Å; L269-L317 HydrophobicContact CD2-CB 4.46Å; L269-L317 HydrophobicContact CD2-CD2 3.77Å; L269-V326 HydrophobicContact CB-CG1 3.77Å; L269-V326 HydrophobicContact CD2-CG1 4.37Å; L269-L327 PolarHBondContact N-O 3.11Å; L269-S329 PolarHBondContact O-N 3.38Å; L269-F337 HydrophobicContact CD1-CD2 4.04Å; L269-F337 HydrophobicContact CD1-CE2 4.23Å; L269-F337 HydrophobicContact CD1-CG 4.24Å; L269-F337 HydrophobicContact CD2-CB 3.54Å; L269-F337 HydrophobicContact CD2-CD1 4.16Å; L269-F337 HydrophobicContact CD2-CD2 4.25Å; L269-F337 HydrophobicContact CD2-CG 3.73Å; L269-F337 HydrophobicContact CG-CB 3.77Å; L269-F337 HydrophobicContact CG-CD1 4.4Å; L269-F337 HydrophobicContact CG-CD2 3.66Å; L269-F337 HydrophobicContact CG-CE2 4.35Å; L269-F337 HydrophobicContact CG-CG 3.68Å; L269-L341 HydrophobicContact CD2-CD1 3.53Å
270N93.9Very high92.8Very high0 Ų031.3 Ų31.30%018%0.182CC..  trans-137.6154.6176.3-533.1000107.5T239 L268 V272 S273 C311 S329T239-N270 PolarHBondContact O-ND2 3.47Å; L268-N270 HydrophobicContact CD2-CB 4.32Å; N270-V272 PolarHBondContact O-N 2.85Å; N270-S273 PolarHBondContact O-N 2.91Å; N270-S273 PolarHBondContact O-OG 2.92Å; N270-C311 PolarHBondContact N-O 2.86Å; N270-S329 WeakPolarHBondContact OD1-CB 3.24Å; N270-S329 PolarHBondContact OD1-N 2.84Å
271N93.8Very high93.5Very high28 Ų2830.9 Ų30.915%0.1517%0.166CC..THydrogen-bonded Turntrans-64.3-24.7177.8-62.7-79.7000112.2D100 Q103 S104 N107 F337D100-N271 VanDerWaalsContact OD1-CB 3.31Å; D100-N271 WeakPolarHBondContact OD1-CB 3.37Å; D100-N271 PolarHBondContact OD1-N 3.33Å; D100-N271 PolarHBondContact OD1-ND2 3.42Å; Q103-N271 HydrophobicContact CB-CB 4.07Å; Q103-N271 HydrophobicContact CG-CB 3.9Å; S104-N271 PolarHBondContact OG-ND2 2.82Å; S104-N271 VanDerWaalsContact OG-ND2 3.11Å; N107-N271 PolarHBondContact ND2-OD1 2.83Å; N107-N271 VanDerWaalsContact ND2-OD1 3.16Å; N271-F337 WeakPolarHBondContact OD1-CE2 3.49Å; N271-F337 WeakPolarHBondContact OD1-CZ 2.93Å
272V95.3Very high94Very high22 Ų2235 Ų3513%0.13320%0.195CC..THydrogen-bonded Turntrans-120.929.8-178.4-62.60000112.6M96 D100 T239 N270 Y274 N275 V276M96-V272 HydrophobicContact CB-CG2 4.19Å; M96-V272 HydrophobicContact SD-CB 4.26Å; M96-V272 HydrophobicContact SD-CG2 4.24Å; D100-V272 HydrophobicContact CB-CG2 4.01Å; T239-V272 HydrophobicContact CG2-CG2 4.1Å; N270-V272 PolarHBondContact O-N 2.85Å; V272-Y274 VanDerWaalsContact C-N 3.32Å; V272-Y274 PolarHBondContact O-N 2.78Å; V272-N275 PolarHBondContact O-N 3.08Å; V272-V276 HydrophobicContact CG2-CG2 4.22Å; V272-V276 WeakPolarHBondContact O-CG2 3.3Å; V272-V276 PolarHBondContact O-N 3.33Å
273S92.5Very high94.5Very high0 Ų032.8 Ų32.80%017%0.17CC..Hα-helixtrans-55.9-39.5-172.156.70000114.3N270 V277 C311 H312N270-S273 PolarHBondContact O-N 2.91Å; N270-S273 PolarHBondContact O-OG 2.92Å; S273-V277 PolarHBondContact O-N 2.89Å; S273-C311 PolarHBondContact OG-O 2.99Å; S273-H312 PolarHBondContact OG-CD2 3.29Å; S273-H312 PolarHBondContact OG-NE2 2.7Å
274Y94.9Very high94.7Very high122 Ų12227.8 Ų27.848%0.47814%0.14SC..Hα-helixtrans-60.4-50.4176.7176.7-98.5000112.5V272 V276 V277 E278 L310 H312V272-Y274 VanDerWaalsContact C-N 3.32Å; V272-Y274 PolarHBondContact O-N 2.78Å; Y274-V276 VanDerWaalsContact C-N 3.34Å; Y274-V276 PolarHBondContact O-N 2.73Å; Y274-V277 PolarHBondContact O-N 3.12Å; Y274-E278 HydrophobicContact CE1-CB 4.47Å; Y274-E278 WeakPolarHBondContact O-CB 3.35Å; Y274-E278 PolarHBondContact O-N 3.42Å; Y274-L310 HydrophobicContact CD2-CD1 4.41Å; Y274-H312 VanDerWaalsContact CB-NE2 3.33Å; Y274-H312 WeakPolarHBondContact CB-NE2 3.39Å; Y274-H312 PolarHBondContact N-NE2 3.04Å
275N95.6Very high94.7Very high65 Ų6530.8 Ų30.835%0.34816%0.155SC..Hα-helixtrans-63.4-38.5-178-64.787.1000112.2M96 V272 V277 E278 F279M96-N275 HydrophobicContact SD-CB 3.58Å; M96-N275 VanDerWaalsContact SD-CB 3.58Å; V272-N275 PolarHBondContact O-N 3.08Å; N275-V277 PolarHBondContact O-N 3.22Å; N275-E278 PolarHBondContact O-N 3.16Å; N275-F279 HydrophobicContact CB-CD2 4.23Å; N275-F279 HydrophobicContact CB-CE2 3.85Å; N275-F279 HydrophobicContact CB-CZ 4.5Å; N275-F279 WeakPolarHBondContact O-CB 3.32Å; N275-F279 WeakPolarHBondContact O-CD2 3.33Å; N275-F279 VanDerWaalsContact O-CG 3.27Å; N275-F279 WeakPolarHBondContact O-CG 3.26Å; N275-F279 PolarHBondContact O-N 2.84Å
276V95Very high94.7Very high0 Ų030.7 Ų30.70%015%0.152CC..Hα-helixtrans-58.2-48.4175.9172.90000111.2M96 T239 A240 L244 V272 Y274 S280M96-V276 HydrophobicContact CB-CG2 4.07Å; M96-V276 HydrophobicContact CG-CG2 4.2Å; T239-V276 HydrophobicContact CG2-CG2 4.32Å; A240-V276 HydrophobicContact CB-CG1 4Å; A240-V276 HydrophobicContact CB-CG2 3.99Å; L244-V276 HydrophobicContact CD2-CG1 4.1Å; V272-V276 HydrophobicContact CG2-CG2 4.22Å; V272-V276 WeakPolarHBondContact O-CG2 3.3Å; V272-V276 PolarHBondContact O-N 3.33Å; Y274-V276 VanDerWaalsContact C-N 3.34Å; Y274-V276 PolarHBondContact O-N 2.73Å; V276-S280 WeakPolarHBondContact O-CB 3.28Å; V276-S280 PolarHBondContact O-N 2.67Å; V276-S280 PolarHBondContact O-OG 3.03Å; V276-S280 VanDerWaalsContact O-OG 3.1Å
277V95.4Very high94.6Very high4 Ų430.9 Ų30.92%0.02415%0.153CC..Hα-helixtrans-70.8-35.3179.6174.50000111.4S273 Y274 N275 S280 K281 F305 L310S273-V277 PolarHBondContact O-N 2.89Å; Y274-V277 PolarHBondContact O-N 3.12Å; N275-V277 PolarHBondContact O-N 3.22Å; V277-S280 WeakPolarHBondContact CA-OG 3.35Å; V277-S280 PolarHBondContact O-OG 2.96Å; V277-K281 WeakPolarHBondContact O-CG 3.26Å; V277-K281 PolarHBondContact O-N 2.92Å; V277-F305 HydrophobicContact CG1-CD2 3.96Å; V277-F305 HydrophobicContact CG1-CE2 4.04Å; V277-F305 HydrophobicContact CG2-CD2 4.37Å; V277-F305 HydrophobicContact CG2-CE2 4.05Å; V277-L310 HydrophobicContact CB-CD1 4.36Å; V277-L310 HydrophobicContact CB-CD2 4.45Å; V277-L310 HydrophobicContact CG2-CD2 3.77Å
278E95.4Very high94.5Very high74 Ų7430.9 Ų30.935%0.34615%0.153SC..Hα-helixtrans-70.5-41.3178.3-163.858.3-156.400112.7Y274 N275 K281 S282Y274-E278 HydrophobicContact CE1-CB 4.47Å; Y274-E278 WeakPolarHBondContact O-CB 3.35Å; Y274-E278 PolarHBondContact O-N 3.42Å; N275-E278 PolarHBondContact O-N 3.16Å; E278-K281 WeakPolarHBondContact O-CB 3.47Å; E278-K281 PolarHBondContact O-N 2.7Å; E278-K281 IonicContact OE2-NZ 2.73Å; E278-K281 PolarHBondContact OE2-NZ 3.28Å; E278-S282 PolarHBondContact O-N 3.01Å
279F95.4Very high94.2Very high53 Ų5334.5 Ų34.523%0.23217%0.172CC..Hα-helixtrans-68.9-37.8176-64.7-38.6000112.5M93 M96 N275 K281 S282 Q283M93-F279 HydrophobicContact CE-CB 3.99Å; M93-F279 HydrophobicContact SD-CB 4.43Å; M96-F279 HydrophobicContact CE-CD2 4.47Å; M96-F279 HydrophobicContact CE-CE2 3.73Å; M96-F279 HydrophobicContact CG-CD2 4.07Å; M96-F279 HydrophobicContact CG-CE2 4.23Å; M96-F279 HydrophobicContact SD-CD2 4.13Å; M96-F279 HydrophobicContact SD-CE2 3.74Å; N275-F279 HydrophobicContact CB-CD2 4.23Å; N275-F279 HydrophobicContact CB-CE2 3.85Å; N275-F279 HydrophobicContact CB-CZ 4.5Å; N275-F279 WeakPolarHBondContact O-CB 3.32Å; N275-F279 WeakPolarHBondContact O-CD2 3.33Å; N275-F279 VanDerWaalsContact O-CG 3.27Å; N275-F279 WeakPolarHBondContact O-CG 3.26Å; N275-F279 PolarHBondContact O-N 2.84Å; F279-K281 VanDerWaalsContact C-N 3.27Å; F279-K281 PolarHBondContact O-N 2.7Å; F279-S282 WeakPolarHBondContact O-CB 3.5Å; F279-S282 PolarHBondContact O-N 2.9Å; F279-Q283 WeakPolarHBondContact O-CG 3.06Å; F279-Q283 PolarHBondContact O-N 2.88Å
280S94.4Very high93.9Very high0 Ų041 Ų410%020%0.201CC..Hα-helixtrans-62.2-34.9174.660.20000112.2V276 V277 S282 Q283 M287 F303V276-S280 WeakPolarHBondContact O-CB 3.28Å; V276-S280 PolarHBondContact O-N 2.67Å; V276-S280 PolarHBondContact O-OG 3.03Å; V276-S280 VanDerWaalsContact O-OG 3.1Å; V277-S280 WeakPolarHBondContact CA-OG 3.35Å; V277-S280 PolarHBondContact O-OG 2.96Å; S280-S282 VanDerWaalsContact C-N 3.26Å; S280-S282 PolarHBondContact O-N 2.96Å; S280-Q283 PolarHBondContact O-N 2.97Å; S280-M287 WeakPolarHBondContact O-CE 3.45Å; S280-F303 WeakPolarHBondContact OG-CD1 3.21Å
281K93Very high93.7Very high39 Ų3941.5 Ų41.517%0.1720%0.203CC..Hα-helixtrans-63.4-30.3171.8-71.6176.4-149.81630113.3V277 E278 F279 V284 N301 F303V277-K281 WeakPolarHBondContact O-CG 3.26Å; V277-K281 PolarHBondContact O-N 2.92Å; E278-K281 WeakPolarHBondContact O-CB 3.47Å; E278-K281 PolarHBondContact O-N 2.7Å; E278-K281 IonicContact OE2-NZ 2.73Å; E278-K281 PolarHBondContact OE2-NZ 3.28Å; F279-K281 VanDerWaalsContact C-N 3.27Å; F279-K281 PolarHBondContact O-N 2.7Å; K281-V284 WeakPolarHBondContact O-CG2 3.08Å; K281-N301 WeakPolarHBondContact CA-ND2 3.43Å; K281-N301 VanDerWaalsContact CB-ND2 3.35Å; K281-N301 WeakPolarHBondContact CB-ND2 3.38Å; K281-N301 PolarHBondContact O-ND2 3.36Å; K281-F303 WeakPolarHBondContact CE-O 3.46Å; K281-F303 HydrophobicContact CG-CB 3.71Å
282S93.8Very high93.5Very high88 Ų8842.5 Ų42.562%0.61521%0.208SC*.Hα-helixtrans-80.8-20.2-179.3-179.70000113.5E278 F279 S280E278-S282 PolarHBondContact O-N 3.01Å; F279-S282 WeakPolarHBondContact O-CB 3.5Å; F279-S282 PolarHBondContact O-N 2.9Å; S280-S282 VanDerWaalsContact C-N 3.26Å; S280-S282 PolarHBondContact O-N 2.96Å
283Q93.1Very high93.2Very high7 Ų749.4 Ų49.43%0.03323%0.231CC..  trans-109.635.3-169.2-65.1171.1-1800112.4F279 S280 E285 W286F279-Q283 WeakPolarHBondContact O-CG 3.06Å; F279-Q283 PolarHBondContact O-N 2.88Å; S280-Q283 PolarHBondContact O-N 2.97Å; Q283-E285 VanDerWaalsContact C-OE2 3.26Å; Q283-E285 WeakPolarHBondContact CA-OE2 3.33Å; Q283-E285 PolarHBondContact O-N 3.16Å; Q283-W286 WeakPolarHBondContact O-CB 3.24Å; Q283-W286 PolarHBondContact O-N 3.15Å; Q283-W286 VanDerWaalsContact O-N 3.11Å
284V92.5Very high92.9Very high10 Ų1051.8 Ų51.86%0.06125%0.247CC..G310 helixtrans-64.5-26.1-176.1178.10000111.9K281 W286 M287 L291 F295K281-V284 WeakPolarHBondContact O-CG2 3.08Å; V284-W286 PolarHBondContact O-N 2.98Å; V284-M287 HydrophobicContact CG2-SD 4.49Å; V284-M287 WeakPolarHBondContact O-CB 3.46Å; V284-M287 PolarHBondContact O-N 3.09Å; V284-L291 HydrophobicContact CG1-CD2 3.98Å; V284-F295 HydrophobicContact CG1-CB 4.16Å; V284-F295 HydrophobicContact CG1-CD1 4.23Å; V284-F295 HydrophobicContact CG1-CG 4.21Å
285E92.7Very high92.5Very high112 Ų11249.9 Ų49.952%0.52324%0.242SC..G310 helixtrans-66.5-17.4176.376.3-81-164.200113.7Q283 M292Q283-E285 VanDerWaalsContact C-OE2 3.26Å; Q283-E285 WeakPolarHBondContact CA-OE2 3.33Å; Q283-E285 PolarHBondContact O-N 3.16Å; E285-M292 WeakPolarHBondContact O-CE 3.33Å
286W95Very high92.2Very high19 Ų1952.8 Ų52.87%0.07225%0.253CS..G310 helixtrans-91.2-1.7178.8-66.885.6000113.6T87 I88 P89 L129 K130 F131 I155 Q283 V284T87-W286 HydrophobicContact CG2-CH2 3.8Å; T87-W286 HydrophobicContact CG2-CZ3 3.73Å; I88-W286 HydrophobicContact CB-CZ2 3.78Å; I88-W286 HydrophobicContact CD1-CZ2 3.85Å; I88-W286 HydrophobicContact CG1-CZ2 3.85Å; P89-W286 HydrophobicContact CG-CB 4.06Å; P89-W286 HydrophobicContact CG-CD2 3.41Å; P89-W286 VanDerWaalsContact CG-CD2 3.41Å; P89-W286 HydrophobicContact CG-CE3 3.64Å; P89-W286 HydrophobicContact CG-CG 3.57Å; P89-W286 HydrophobicContact CG-CZ2 4.44Å; P89-W286 HydrophobicContact CG-CZ3 4.24Å; L129-W286 VanDerWaalsContact O-CH2 3.3Å; L129-W286 WeakPolarHBondContact O-CH2 3.47Å; K130-W286 HydrophobicContact CG-CZ2 4.15Å; F131-W286 HydrophobicContact CD1-CZ3 4.08Å; F131-W286 AromaticContact CD2-CE3 3.54Å; F131-W286 HydrophobicContact CD2-CE3 3.54Å; F131-W286 HydrophobicContact CD2-CH2 4.45Å; 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 4.02Å; F131-W286 HydrophobicContact CE2-CD2 4.41Å; F131-W286 AromaticContact CE2-CE3 3.21Å; F131-W286 HydrophobicContact CE2-CE3 3.21Å; F131-W286 AromaticContact CE2-CZ3 3.39Å; F131-W286 HydrophobicContact CE2-CZ3 3.39Å; F131-W286 HydrophobicContact CG-CE3 4.35Å; F131-W286 AromaticContact CG-CZ3 3.79Å; F131-W286 HydrophobicContact CG-CZ3 3.79Å; F131-W286 AromaticContact CZ-CE3 3.77Å; F131-W286 HydrophobicContact CZ-CE3 3.77Å; F131-W286 AromaticContact CZ-CZ3 3.69Å; F131-W286 HydrophobicContact CZ-CZ3 3.69Å; I155-W286 HydrophobicContact CD1-CB 3.74Å; Q283-W286 WeakPolarHBondContact O-CB 3.24Å; Q283-W286 PolarHBondContact O-N 3.15Å; Q283-W286 VanDerWaalsContact O-N 3.11Å; V284-W286 PolarHBondContact O-N 2.98Å
287M94.1Very high92Very high4 Ų459 Ų592%0.0229%0.286CS..SBendtrans-101.7177.8-170.5-64.3176.4176.900112.1I155 H183 S280 V284 L291 F303I155-M287 HydrophobicContact CD1-CE 4.29Å; I155-M287 HydrophobicContact CD1-CG 3.77Å; H183-M287 CarbonylContact O-C 3.57Å; H183-M287 VanDerWaalsContact O-CA 3.27Å; H183-M287 WeakPolarHBondContact O-CA 3.48Å; H183-M287 VanDerWaalsContact O-CB 3.25Å; H183-M287 WeakPolarHBondContact O-CB 3.49Å; S280-M287 WeakPolarHBondContact O-CE 3.45Å; V284-M287 HydrophobicContact CG2-SD 4.49Å; V284-M287 WeakPolarHBondContact O-CB 3.46Å; V284-M287 PolarHBondContact O-N 3.09Å; M287-L291 HydrophobicContact CB-CD2 4.11Å; M287-L291 HydrophobicContact SD-CD1 4.2Å; M287-L291 HydrophobicContact SD-CD2 3.72Å; M287-F303 HydrophobicContact CE-CD2 3.7Å; M287-F303 HydrophobicContact CE-CE2 3.25Å; M287-F303 HydrophobicContact CE-CZ 3.8Å; M287-F303 HydrophobicContact SD-CD2 3.85Å; M287-F303 HydrophobicContact SD-CE2 3.24Å; M287-F303 WeakPolarHBondContact SD-CE2 3.2Å; M287-F303 HydrophobicContact SD-CZ 4.12Å
288S94.2Very high91.6Very high0 Ų065.5 Ų65.50%031%0.314CS..  trans-58.6143.4-178.9-1760000112.3H183 N185 K290 L291 M292H183-S288 PolarHBondContact O-N 3.01Å; N185-S288 WeakPolarHBondContact OD1-CA 3.3Å; N185-S288 WeakPolarHBondContact OD1-CB 3.28Å; N185-S288 PolarHBondContact OD1-OG 3.17Å; S288-K290 PolarHBondContact O-N 3.3Å; S288-K290 PolarHBondContact OG-N 3.31Å; S288-L291 WeakPolarHBondContact O-CA 3.06Å; S288-L291 WeakPolarHBondContact O-CB 3.48Å; S288-L291 PolarHBondContact O-N 2.85Å; S288-M292 PolarHBondContact O-N 2.82Å
289D92Very high91.2Very high78 Ų7872.5 Ų72.542%0.41734%0.337SS..Hα-helixtrans-54.1-33.2175.8-55.8-12.3000111.7N185 L291 R293N185-D289 PolarHBondContact ND2-N 3Å; N185-D289 PolarHBondContact ND2-OD1 3.46Å; N185-D289 PolarHBondContact OD1-N 3.48Å; D289-L291 VanDerWaalsContact C-N 3.35Å; D289-R293 WeakPolarHBondContact O-CB 3.41Å; D289-R293 WeakPolarHBondContact O-CG 3.5Å; D289-R293 PolarHBondContact O-N 2.82Å
290K90.3Very high90.8Very high137 Ų13774.3 Ų74.360%0.59635%0.35SS*.Hα-helixtrans-65-41.5177.7-174.4-177.1177.3-171.10111.4S288 C294S288-K290 PolarHBondContact O-N 3.3Å; S288-K290 PolarHBondContact OG-N 3.31Å; K290-C294 PolarHBondContact O-N 3.02Å; K290-C294 PolarHBondContact O-SG 2.64Å
291L88.5Confident90.5Very high9 Ų976 Ų765%0.04736%0.358CS..Hα-helixtrans-73.1-42.8179.9-168.9156.1000109.9H183 V284 M287 S288 D289 C294 F295 P302 F303H183-L291 HydrophobicContact CB-CD1 3.96Å; V284-L291 HydrophobicContact CG1-CD2 3.98Å; M287-L291 HydrophobicContact CB-CD2 4.11Å; M287-L291 HydrophobicContact SD-CD1 4.2Å; M287-L291 HydrophobicContact SD-CD2 3.72Å; S288-L291 WeakPolarHBondContact O-CA 3.06Å; S288-L291 WeakPolarHBondContact O-CB 3.48Å; S288-L291 PolarHBondContact O-N 2.85Å; D289-L291 VanDerWaalsContact C-N 3.35Å; L291-C294 WeakPolarHBondContact O-CB 3.36Å; L291-C294 PolarHBondContact O-N 3.45Å; L291-F295 PolarHBondContact O-N 3.21Å; L291-F295 VanDerWaalsContact O-N 3.11Å; L291-P302 HydrophobicContact CD1-CB 3.92Å; L291-P302 HydrophobicContact CD1-CG 4.44Å; L291-P302 HydrophobicContact CD2-CB 3.65Å; L291-P302 HydrophobicContact CD2-CG 3.36Å; L291-P302 HydrophobicContact CG-CB 3.63Å; L291-P302 HydrophobicContact CG-CG 3.62Å; L291-F303 HydrophobicContact CD1-CE2 3.86Å; L291-F303 HydrophobicContact CD1-CZ 4.49Å
292M90.2Very high90.3Very high50 Ų5074.7 Ų74.725%0.24635%0.354CS..Hα-helixtrans-58.1-49.6175-168.1179.7-57.900112E285 S288 C294 F295 E296E285-M292 WeakPolarHBondContact O-CE 3.33Å; S288-M292 PolarHBondContact O-N 2.82Å; M292-C294 VanDerWaalsContact C-N 3.3Å; M292-C294 PolarHBondContact O-N 3.46Å; M292-F295 WeakPolarHBondContact O-CA 3.29Å; M292-F295 WeakPolarHBondContact O-CB 3.37Å; M292-F295 PolarHBondContact O-N 3.28Å; M292-E296 WeakPolarHBondContact O-CG 3.45Å; M292-E296 PolarHBondContact O-N 2.8Å
293R89.1Confident90.1Very high167 Ų16770.5 Ų70.563%0.6333%0.325SS*.Hα-helixtrans-59.9-38.4175.7-72.7177-168.8-152.53.6112.9D289 F295 E296 D297D289-R293 WeakPolarHBondContact O-CB 3.41Å; D289-R293 WeakPolarHBondContact O-CG 3.5Å; D289-R293 PolarHBondContact O-N 2.82Å; R293-F295 VanDerWaalsContact C-N 3.26Å; R293-F295 PolarHBondContact O-N 3.49Å; R293-E296 PolarHBondContact O-N 2.67Å; R293-D297 WeakPolarHBondContact O-CB 3.33Å; R293-D297 PolarHBondContact O-N 2.93Å
294C85.4Confident90.1Very high49 Ų4975.1 Ų75.133%0.33135%0.346SS..Hα-helixtrans-63.1-35.4176.2-71.60000112.2K290 L291 M292 K298K290-C294 PolarHBondContact O-N 3.02Å; K290-C294 PolarHBondContact O-SG 2.64Å; L291-C294 WeakPolarHBondContact O-CB 3.36Å; L291-C294 PolarHBondContact O-N 3.45Å; M292-C294 VanDerWaalsContact C-N 3.3Å; M292-C294 PolarHBondContact O-N 3.46Å; C294-K298 WeakPolarHBondContact O-CB 3.38Å; C294-K298 PolarHBondContact O-N 2.99Å; C294-K298 VanDerWaalsContact O-N 3.1Å
295F88Confident90.1Very high83 Ų8375.7 Ų75.736%0.36435%0.348SS..Hα-helixtrans-69.3-46.5175.6177.3-108000111.4V284 L291 M292 R293 D297 R299 N301V284-F295 HydrophobicContact CG1-CB 4.16Å; V284-F295 HydrophobicContact CG1-CD1 4.23Å; V284-F295 HydrophobicContact CG1-CG 4.21Å; L291-F295 PolarHBondContact O-N 3.21Å; L291-F295 VanDerWaalsContact O-N 3.11Å; M292-F295 WeakPolarHBondContact O-CA 3.29Å; M292-F295 WeakPolarHBondContact O-CB 3.37Å; M292-F295 PolarHBondContact O-N 3.28Å; R293-F295 VanDerWaalsContact C-N 3.26Å; R293-F295 PolarHBondContact O-N 3.49Å; F295-D297 PolarHBondContact O-N 3.19Å; F295-R299 WeakPolarHBondContact O-CA 3.44Å; F295-R299 PolarHBondContact O-N 3Å; F295-N301 HydrophobicContact CD2-CB 4.45Å; F295-N301 HydrophobicContact CE2-CB 4.29Å
296E89.4Confident89.9Confident125 Ų12579.3 Ų79.358%0.58436%0.357SS*.Hα-helixtrans-59.6-46.4177.6-68.8173.8170.700112.3M292 R293M292-E296 WeakPolarHBondContact O-CG 3.45Å; M292-E296 PolarHBondContact O-N 2.8Å; R293-E296 PolarHBondContact O-N 2.67Å
297D90.4Very high89.7Confident130 Ų13081.6 Ų81.670%0.69537%0.368SS*.Hα-helixtrans-74.8-46.7-175.7-71.7-24.4000112.7R293 F295R293-D297 WeakPolarHBondContact O-CB 3.33Å; R293-D297 PolarHBondContact O-N 2.93Å; F295-D297 PolarHBondContact O-N 3.19Å
298K87.1Confident89.7Confident141 Ų14182.1 Ų82.161%0.61337%0.371SS*.Hα-helixtrans-101.2-6.6-168.9-60177.2-178.2170.20113.5C294 N300C294-K298 WeakPolarHBondContact O-CB 3.38Å; C294-K298 PolarHBondContact O-N 2.99Å; C294-K298 VanDerWaalsContact O-N 3.1Å; K298-N300 HydrophobicContact CB-CB 4.48Å; K298-N300 PolarHBondContact O-N 3.49Å; K298-N300 PolarHBondContact O-ND2 3.42Å
299R87.2Confident89.7Confident221 Ų22184.6 Ų84.683%0.83439%0.389SS*.  trans51.726.9-175.7-57.2175.6-179.9-178.1-2.7113.5F295F295-R299 WeakPolarHBondContact O-CA 3.44Å; F295-R299 PolarHBondContact O-N 3Å
300N86.4Confident89.9Confident92 Ų9283.8 Ų83.849%0.49238%0.384SS..  trans-110.4120.3178.8-74.5-46.4000108K298 P302K298-N300 HydrophobicContact CB-CB 4.48Å; K298-N300 PolarHBondContact O-N 3.49Å; K298-N300 PolarHBondContact O-ND2 3.42Å; N300-P302 VanDerWaalsContact O-CD 3.3Å; N300-P302 WeakPolarHBondContact O-CD 3.35Å
301N88.4Confident90.1Very high34 Ų3477.4 Ų77.418%0.18236%0.356CS..  trans-64.3124.6174.4-164.2-49.8000109.6K281 F295 F303 Q304K281-N301 WeakPolarHBondContact CA-ND2 3.43Å; K281-N301 VanDerWaalsContact CB-ND2 3.35Å; K281-N301 WeakPolarHBondContact CB-ND2 3.38Å; K281-N301 PolarHBondContact O-ND2 3.36Å; F295-N301 HydrophobicContact CD2-CB 4.45Å; F295-N301 HydrophobicContact CE2-CB 4.29Å; N301-F303 PolarHBondContact O-N 3.07Å; N301-F303 PolarHBondContact OD1-N 3.13Å; N301-Q304 HydrophobicContact CB-CB 4.14Å; N301-Q304 WeakPolarHBondContact O-CB 3.29Å; N301-Q304 PolarHBondContact O-N 3.29Å
302P87.7Confident90.4Very high12 Ų1280.7 Ų80.78%0.07837%0.371CS..THydrogen-bonded Turntrans-63.2-28-178.3-31.645.4000113.7Q248 L291 N300 Q304Q248-P302 PolarHBondContact OE1-O 2.81Å; L291-P302 HydrophobicContact CD1-CB 3.92Å; L291-P302 HydrophobicContact CD1-CG 4.44Å; L291-P302 HydrophobicContact CD2-CB 3.65Å; L291-P302 HydrophobicContact CD2-CG 3.36Å; L291-P302 HydrophobicContact CG-CB 3.63Å; L291-P302 HydrophobicContact CG-CG 3.62Å; N300-P302 VanDerWaalsContact O-CD 3.3Å; N300-P302 WeakPolarHBondContact O-CD 3.35Å; P302-Q304 VanDerWaalsContact C-N 3.31Å
303F91.3Very high90.5Very high0 Ų078.8 Ų78.80%037%0.365CS..THydrogen-bonded Turntrans-89.26.7175.6-70.5-88.1000113.3H183 L244 S280 K281 M287 L291 N301 F305H183-F303 HydrophobicContact CB-CZ 4.12Å; L244-F303 HydrophobicContact CB-CE1 3.76Å; L244-F303 HydrophobicContact CB-CZ 4.16Å; L244-F303 HydrophobicContact CD2-CD1 4.16Å; L244-F303 HydrophobicContact CD2-CE1 3.78Å; L244-F303 HydrophobicContact CG-CE1 4.21Å; S280-F303 WeakPolarHBondContact OG-CD1 3.21Å; K281-F303 WeakPolarHBondContact CE-O 3.46Å; K281-F303 HydrophobicContact CG-CB 3.71Å; M287-F303 HydrophobicContact CE-CD2 3.7Å; M287-F303 HydrophobicContact CE-CE2 3.25Å; M287-F303 HydrophobicContact CE-CZ 3.8Å; M287-F303 HydrophobicContact SD-CD2 3.85Å; M287-F303 HydrophobicContact SD-CE2 3.24Å; M287-F303 WeakPolarHBondContact SD-CE2 3.2Å; M287-F303 HydrophobicContact SD-CZ 4.12Å; L291-F303 HydrophobicContact CD1-CE2 3.86Å; L291-F303 HydrophobicContact CD1-CZ 4.49Å; N301-F303 PolarHBondContact O-N 3.07Å; N301-F303 PolarHBondContact OD1-N 3.13Å; F303-F305 VanDerWaalsContact C-N 3.27Å; F303-F305 HydrophobicContact CD1-CE1 4.46Å; F303-F305 HydrophobicContact CD1-CE2 4.02Å; F303-F305 AromaticContact CD1-CZ 3.57Å; F303-F305 HydrophobicContact CD1-CZ 3.57Å; F303-F305 HydrophobicContact CE1-CZ 4.12Å; F303-F305 HydrophobicContact CG-CZ 4.4Å; F303-F305 WeakPolarHBondContact O-CD2 3.44Å; F303-F305 PolarHBondContact O-N 3.06Å
304Q91.5Very high90.6Very high105 Ų10573.7 Ų73.749%0.49135%0.35SS..  trans-8082.6163.5-169.663.839.800109.1R255 N301 P302R255-Q304 PolarHBondContact NH2-O 3.32Å; N301-Q304 HydrophobicContact CB-CB 4.14Å; N301-Q304 WeakPolarHBondContact O-CB 3.29Å; N301-Q304 PolarHBondContact O-N 3.29Å; P302-Q304 VanDerWaalsContact C-N 3.31Å
305F92.3Very high90.9Very high22 Ų2275.1 Ų75.110%0.09636%0.36CS..  trans-68.2145.3178.5-57.7-58.5000111.6A247 D251 V277 F303 L308A247-F305 HydrophobicContact CB-CE1 4.28Å; A247-F305 HydrophobicContact CB-CE2 4.22Å; A247-F305 HydrophobicContact CB-CZ 3.73Å; D251-F305 HydrophobicContact CB-CD1 3.66Å; D251-F305 HydrophobicContact CB-CE1 4.16Å; V277-F305 HydrophobicContact CG1-CD2 3.96Å; V277-F305 HydrophobicContact CG1-CE2 4.04Å; V277-F305 HydrophobicContact CG2-CD2 4.37Å; V277-F305 HydrophobicContact CG2-CE2 4.05Å; F303-F305 VanDerWaalsContact C-N 3.27Å; F303-F305 HydrophobicContact CD1-CE1 4.46Å; F303-F305 HydrophobicContact CD1-CE2 4.02Å; F303-F305 AromaticContact CD1-CZ 3.57Å; F303-F305 HydrophobicContact CD1-CZ 3.57Å; F303-F305 HydrophobicContact CE1-CZ 4.12Å; F303-F305 HydrophobicContact CG-CZ 4.4Å; F303-F305 WeakPolarHBondContact O-CD2 3.44Å; F303-F305 PolarHBondContact O-N 3.06Å; F305-L308 HydrophobicContact CB-CB 3.55Å; F305-L308 HydrophobicContact CB-CD2 4.41Å; F305-L308 HydrophobicContact CD2-CB 4.16Å; F305-L308 HydrophobicContact CD2-CD2 3.41Å; F305-L308 VanDerWaalsContact CD2-CD2 3.41Å; F305-L308 HydrophobicContact CD2-CG 4.4Å; F305-L308 HydrophobicContact CE2-CD2 3.68Å; F305-L308 HydrophobicContact CG-CB 3.89Å; F305-L308 HydrophobicContact CG-CD2 3.89Å; F305-L308 HydrophobicContact CZ-CD2 4.37Å
306R88.6Confident91.2Very high187 Ų18772.9 Ų72.971%0.70635%0.352SS*.SBendtrans-109.4-28.1178.1-66.9-175.3-179.7-172-1.1112.3D251D251-R306 PolarHBondContact OD1-N 2.78Å
307H90.8Very high91.5Very high67 Ų6767.4 Ų67.431%0.3133%0.327SS..SBendtrans-108-17.8-177-60.6-74.7000112.7D251 W254 S309D251-H307 IonicContact OD1-CD2 2.75Å; D251-H307 PolarHBondContact OD1-N 3.41Å; D251-H307 VanDerWaalsContact OD1-N 3.07Å; W254-H307 HydrophobicContact CB-CB 4.04Å; W254-H307 HydrophobicContact CG-CB 4.25Å; H307-S309 PolarHBondContact O-N 3.37Å
308L94.1Very high91.7Very high15 Ų1565.3 Ų65.38%0.07933%0.327CS..EExtended strand (participates in β ladder)trans-78.8114.6178.8-16566.1000110.9A247 L266 L268 F305 L310A247-L308 HydrophobicContact CB-CD2 4.01Å; L266-L308 HydrophobicContact CB-CD1 4.43Å; L266-L308 HydrophobicContact CD2-CD1 3.77Å; L266-L308 HydrophobicContact CG-CD1 3.55Å; L268-L308 HydrophobicContact CB-CD1 4.04Å; L268-L308 HydrophobicContact CB-CD2 4.05Å; L268-L308 HydrophobicContact CB-CG 4.11Å; L268-L308 HydrophobicContact CD1-CD2 3.97Å; F305-L308 HydrophobicContact CB-CB 3.55Å; F305-L308 HydrophobicContact CB-CD2 4.41Å; F305-L308 HydrophobicContact CD2-CB 4.16Å; F305-L308 HydrophobicContact CD2-CD2 3.41Å; F305-L308 VanDerWaalsContact CD2-CD2 3.41Å; F305-L308 HydrophobicContact CD2-CG 4.4Å; F305-L308 HydrophobicContact CE2-CD2 3.68Å; F305-L308 HydrophobicContact CG-CB 3.89Å; F305-L308 HydrophobicContact CG-CD2 3.89Å; F305-L308 HydrophobicContact CZ-CD2 4.37Å; L308-L310 HydrophobicContact CD2-CD2 4.28Å; L308-L310 HydrophobicContact CG-CD2 4.44Å
309S95Very high92Very high53 Ų5368.3 Ų68.337%0.37134%0.335SS..EExtended strand (participates in β ladder)trans-89.6121172.6-56.70000109.5L266 A267 L268 H307L266-S309 PolarHBondContact O-N 2.87Å; A267-S309 CarbonylContact C-O 3.48Å; A267-S309 WeakPolarHBondContact CA-O 3.41Å; L268-S309 PolarHBondContact N-O 3.03Å; H307-S309 PolarHBondContact O-N 3.37Å
310L96Very high92.4Very high60 Ų6058.6 Ų58.631%0.31430%0.3SS..EExtended strand (participates in β ladder)trans-82.3132.7178.7-53.7174.5000109.2L268 Y274 V277 L308L268-L310 HydrophobicContact CB-CD2 4.22Å; Y274-L310 HydrophobicContact CD2-CD1 4.41Å; V277-L310 HydrophobicContact CB-CD1 4.36Å; V277-L310 HydrophobicContact CB-CD2 4.45Å; V277-L310 HydrophobicContact CG2-CD2 3.77Å; L308-L310 HydrophobicContact CD2-CD2 4.28Å; L308-L310 HydrophobicContact CG-CD2 4.44Å
311C95.5Very high92.7Very high3 Ų358.5 Ų58.52%0.0230%0.304CS..EExtended strand (participates in β ladder)trans-129.9139.9179.6-63.10000109.1L268 L269 N270 S273 D316L268-C311 PolarHBondContact O-N 2.72Å; L269-C311 HydrophobicContact CB-CB 4.5Å; L269-C311 HydrophobicContact CD1-CB 3.62Å; N270-C311 PolarHBondContact N-O 2.86Å; S273-C311 PolarHBondContact OG-O 2.99Å; C311-D316 HydrophobicContact CB-CB 3.94Å
312H93.8Very high92.8Very high78 Ų7860.3 Ų60.336%0.36132%0.32SS..SBendtrans-106.5-13.3178.8-59.288.8000112.7S273 Y274 D316 F337S273-H312 PolarHBondContact OG-CD2 3.29Å; S273-H312 PolarHBondContact OG-NE2 2.7Å; Y274-H312 VanDerWaalsContact CB-NE2 3.33Å; Y274-H312 WeakPolarHBondContact CB-NE2 3.39Å; Y274-H312 PolarHBondContact N-NE2 3.04Å; H312-D316 PolarHBondContact N-OD2 2.74Å; H312-D316 VanDerWaalsContact N-OD2 3.09Å; H312-F337 WeakPolarHBondContact O-CE2 3.17Å; H312-F337 WeakPolarHBondContact O-CZ 3.34Å
313G92.6Very high93.2Very high11 Ų1160.5 Ų60.511%0.11332%0.321CS..SBendtrans-157.1175.3176.400000113.5S315 D316 L317G313-S315 PolarHBondContact O-N 3.46Å; G313-D316 PolarHBondContact O-N 3.11Å; G313-L317 PolarHBondContact O-N 3.09Å; G313-L317 VanDerWaalsContact O-N 3.17Å
314L91.5Very high93.4Very high59 Ų5961.5 Ų61.531%0.30933%0.325SS..Hα-helixtrans-62.9-26.9178.2-63.3177.1000112.7L269 A318 F337 D340 L341L269-L314 HydrophobicContact CD2-CD2 4.14Å; L314-A318 WeakPolarHBondContact O-CB 3.49Å; L314-A318 PolarHBondContact O-N 3.34Å; L314-F337 HydrophobicContact CD2-CD1 4.02Å; L314-F337 HydrophobicContact CG-CD1 3.99Å; L314-F337 HydrophobicContact CG-CE1 4.14Å; L314-D340 HydrophobicContact CD1-CB 4.36Å; L314-L341 HydrophobicContact CD2-CD1 3.57Å
315S92.1Very high93.7Very high79 Ų7956.5 Ų56.555%0.55230%0.302SS*.Hα-helixtrans-63.3-42.8174.6460000112.5G313G313-S315 PolarHBondContact O-N 3.46Å
316D93.9Very high93.9Very high37 Ų3755.4 Ų55.420%0.19830%0.297CS..Hα-helixtrans-70.5-44.4178-61.6-19.8000110.1C311 H312 G313 A318 R319C311-D316 HydrophobicContact CB-CB 3.94Å; H312-D316 PolarHBondContact N-OD2 2.74Å; H312-D316 VanDerWaalsContact N-OD2 3.09Å; G313-D316 PolarHBondContact O-N 3.11Å; D316-A318 PolarHBondContact O-N 3.18Å; D316-R319 WeakPolarHBondContact O-CB 3.33Å; D316-R319 PolarHBondContact O-N 3.37Å
317L94.8Very high94.4Very high10 Ų1046.5 Ų46.55%0.05226%0.264CS..Hα-helixtrans-60.6-35.6179.3-177.565.5000112A267 L269 G313 R319 V320 K324 V326 L341 W345A267-L317 HydrophobicContact CB-CD1 3.88Å; L269-L317 HydrophobicContact CD2-CB 4.46Å; L269-L317 HydrophobicContact CD2-CD2 3.77Å; G313-L317 PolarHBondContact O-N 3.09Å; G313-L317 VanDerWaalsContact O-N 3.17Å; L317-R319 PolarHBondContact O-N 3Å; L317-V320 WeakPolarHBondContact O-CB 3.41Å; L317-V320 PolarHBondContact O-N 3.31Å; L317-K324 HydrophobicContact CD1-CD 3.86Å; L317-K324 HydrophobicContact CG-CD 4.38Å; L317-V326 HydrophobicContact CD1-CG1 4.38Å; L317-V326 HydrophobicContact CD1-CG2 3.62Å; L317-V326 HydrophobicContact CD2-CG1 4.37Å; L317-V326 HydrophobicContact CD2-CG2 4.09Å; L317-V326 HydrophobicContact CG-CG2 4.48Å; L317-L341 HydrophobicContact CD2-CD1 4.17Å; L317-L341 HydrophobicContact CD2-CD2 3.79Å; L317-L341 HydrophobicContact CD2-CG 4.3Å; L317-W345 HydrophobicContact CD2-CZ2 4.5Å
318A94.5Very high94.7Very high85 Ų8543.3 Ų43.370%0.70225%0.249SC*.Hα-helixtrans-63.6-23.2177.400000113.4L314 D316 V320L314-A318 WeakPolarHBondContact O-CB 3.49Å; L314-A318 PolarHBondContact O-N 3.34Å; D316-A318 PolarHBondContact O-N 3.18Å; A318-V320 VanDerWaalsContact C-N 3.29Å
319R94.9Very high94.5Very high205 Ų20542.6 Ų42.677%0.77425%0.245SC*.THydrogen-bonded Turntrans-78.7-15.2176-58.2176.6-173.5-173.63.5112.5D316 L317D316-R319 WeakPolarHBondContact O-CB 3.33Å; D316-R319 PolarHBondContact O-N 3.37Å; L317-R319 PolarHBondContact O-N 3Å
320V93.7Very high94.4Very high17 Ų1740.6 Ų40.610%0.10323%0.23CC..SBendtrans-79.8128.7-179.9-177.20000110L317 A318 K324L317-V320 WeakPolarHBondContact O-CB 3.41Å; L317-V320 PolarHBondContact O-N 3.31Å; A318-V320 VanDerWaalsContact C-N 3.29Å; V320-K324 HydrophobicContact CB-CD 4.39Å; V320-K324 HydrophobicContact CG1-CB 4.45Å; V320-K324 HydrophobicContact CG1-CD 4.33Å; V320-K324 WeakPolarHBondContact O-CE 3.42Å
321P93.3Very high94.3Very high89 Ų8938.7 Ų38.758%0.57822%0.221SC*.PPolyproline II helixtrans-59.4142.5-178.7-24.933.5000113.5S265S265-P321 PolarHBondContact OG-O 3.12Å
322S91.4Very high94.2Very high73 Ų7338.8 Ų38.851%0.5122%0.221SC..SBendtrans-89.2146.4170.3-1540000110.4N232N232-S322 PolarHBondContact OD1-OG 3.41Å; N232-S322 VanDerWaalsContact OD1-OG 3.09Å
323P94.8Very high94.2Very high15 Ų1535 Ų3510%0.09720%0.204CC..SBendcis-77.7147.2-2.531.4-32.9000112.4L227 G231 Y264L227-P323 HydrophobicContact CD2-CB 3.91Å; L227-P323 HydrophobicContact CD2-CG 4.33Å; G231-P323 VanDerWaalsContact O-CB 3.32Å; G231-P323 WeakPolarHBondContact O-CB 3.47Å; Y264-P323 HydrophobicContact CD1-CG 3.53Å; Y264-P323 HydrophobicContact CE1-CG 3.5Å; Y264-P323 VanDerWaalsContact CE1-CG 3.5Å
324K95.9Very high94.2Very high21 Ų2136.1 Ų36.19%0.09121%0.206CC..EExtended strand (participates in β ladder)trans-134.6154.6-174.271.1-167.675.764.70112.8N232 V233 S265 L317 V320 V326 W345N232-K324 WeakPolarHBondContact CA-O 3.43Å; N232-K324 PolarHBondContact OD1-N 2.9Å; N232-K324 VanDerWaalsContact OD1-N 3.09Å; N232-K324 PolarHBondContact OD1-NZ 2.82Å; V233-K324 PolarHBondContact N-O 3.06Å; S265-K324 WeakPolarHBondContact O-CA 3.27Å; L317-K324 HydrophobicContact CD1-CD 3.86Å; L317-K324 HydrophobicContact CG-CD 4.38Å; V320-K324 HydrophobicContact CB-CD 4.39Å; V320-K324 HydrophobicContact CG1-CB 4.45Å; V320-K324 HydrophobicContact CG1-CD 4.33Å; V320-K324 WeakPolarHBondContact O-CE 3.42Å; K324-V326 HydrophobicContact CD-CG2 4.15Å; K324-V326 HydrophobicContact CG-CG2 3.96Å; K324-W345 HydrophobicContact CG-CH2 4.37Å
325V97.8Very high94.1Very high0 Ų033.3 Ų33.30%019%0.192CC..EExtended strand (participates in β ladder)trans-108.1126.7170.3-178.10000108.5V223 L227 V233 I235 W254 S265 L266 A267V223-V325 HydrophobicContact CG1-CG2 3.88Å; L227-V325 HydrophobicContact CD1-CG2 3.73Å; L227-V325 HydrophobicContact CD2-CG2 3.88Å; L227-V325 HydrophobicContact CG-CG2 4.13Å; V233-V325 HydrophobicContact CB-CB 4.38Å; V233-V325 HydrophobicContact CB-CG1 4.16Å; V233-V325 HydrophobicContact CB-CG2 4.06Å; V233-V325 HydrophobicContact CG1-CG1 4.35Å; V233-V325 HydrophobicContact CG2-CG2 4.2Å; V233-V325 WeakPolarHBondContact O-CA 3.33Å; I235-V325 HydrophobicContact CD1-CG1 3.83Å; I235-V325 HydrophobicContact CG1-CG1 4.25Å; W254-V325 HydrophobicContact CH2-CG2 3.91Å; W254-V325 HydrophobicContact CZ2-CG2 4.01Å; S265-V325 PolarHBondContact O-N 2.96Å; L266-V325 WeakPolarHBondContact CA-O 3.17Å; L266-V325 HydrophobicContact CD1-CB 3.69Å; L266-V325 HydrophobicContact CD1-CG1 3.71Å; A267-V325 PolarHBondContact N-O 2.81Å
326V98.1Very high94.1Very high0 Ų029.7 Ų29.70%017%0.167CC..EExtended strand (participates in β ladder)trans-120.8120.5-178.6-173.50000110V233 I235 A267 L269 L317 K324 A328 L341 W345V233-V326 PolarHBondContact O-N 3.28Å; I235-V326 PolarHBondContact N-O 3.22Å; A267-V326 HydrophobicContact CB-CG2 4.34Å; A267-V326 WeakPolarHBondContact O-CA 3.1Å; L269-V326 HydrophobicContact CB-CG1 3.77Å; L269-V326 HydrophobicContact CD2-CG1 4.37Å; L317-V326 HydrophobicContact CD1-CG1 4.38Å; L317-V326 HydrophobicContact CD1-CG2 3.62Å; L317-V326 HydrophobicContact CD2-CG1 4.37Å; L317-V326 HydrophobicContact CD2-CG2 4.09Å; L317-V326 HydrophobicContact CG-CG2 4.48Å; K324-V326 HydrophobicContact CD-CG2 4.15Å; K324-V326 HydrophobicContact CG-CG2 3.96Å; V326-A328 HydrophobicContact CG1-CB 4.38Å; V326-L341 HydrophobicContact CB-CD2 3.92Å; V326-L341 HydrophobicContact CG1-CD2 3.79Å; V326-L341 HydrophobicContact CG2-CD2 4.15Å; V326-W345 HydrophobicContact CB-CH2 4.25Å; V326-W345 HydrophobicContact CB-CZ3 4.44Å; V326-W345 HydrophobicContact CG2-CH2 3.61Å; V326-W345 HydrophobicContact CG2-CZ3 4.2Å
327L97.9Very high94.1Very high0 Ų028.6 Ų28.60%016%0.16CC..EExtended strand (participates in β ladder)trans-82.8110.5162.6-56.3178.9000106.8I235 V237 V243 A247 L250 A267 L268 L269I235-L327 HydrophobicContact CB-CD2 3.73Å; I235-L327 HydrophobicContact CD1-CD2 3.8Å; I235-L327 HydrophobicContact CG1-CD2 4.17Å; I235-L327 HydrophobicContact CG2-CD2 4Å; V237-L327 HydrophobicContact CG1-CD2 4.34Å; V237-L327 HydrophobicContact CG2-CB 4.04Å; V243-L327 HydrophobicContact CG2-CD1 4.26Å; A247-L327 HydrophobicContact CB-CD1 3.97Å; L250-L327 HydrophobicContact CD1-CD1 4.38Å; L250-L327 HydrophobicContact CD1-CD2 3.78Å; L250-L327 HydrophobicContact CD1-CG 4.38Å; A267-L327 PolarHBondContact O-N 3.02Å; L268-L327 WeakPolarHBondContact CA-O 3.46Å; L268-L327 HydrophobicContact CG-CB 4.48Å; L269-L327 PolarHBondContact N-O 3.11Å
328A96.7Very high94.1Very high0 Ų028.1 Ų28.10%016%0.158CC..EExtended strand (participates in β ladder)trans-112.4138.2-178.100000110.6L234 I235 V237 V326L234-A328 HydrophobicContact CD1-CB 3.64Å; I235-A328 PolarHBondContact O-N 3.36Å; V237-A328 WeakPolarHBondContact CG2-O 3.32Å; V237-A328 PolarHBondContact N-O 3.2Å; V326-A328 HydrophobicContact CG1-CB 4.38Å
329S91Very high94.1Very high0 Ų025.2 Ų25.20%013%0.129CC..EExtended strand (participates in β ladder)trans-69.9155.6178.262.90000113.3D100 V237 L269 N270 S338D100-S329 WeakPolarHBondContact OD2-CB 3.37Å; D100-S329 PolarHBondContact OD2-OG 3.05Å; V237-S329 CarbonylContact O-C 3.55Å; V237-S329 WeakPolarHBondContact O-CA 3.32Å; L269-S329 PolarHBondContact O-N 3.38Å; N270-S329 WeakPolarHBondContact OD1-CB 3.24Å; N270-S329 PolarHBondContact OD1-N 2.84Å; S329-S338 WeakPolarHBondContact O-CB 3.38Å; S329-S338 PolarHBondContact O-N 3.21Å
330Q91.9Very high94Very high10 Ų1017.5 Ų17.55%0.04710%0.103CC..  trans78.4100.6-170.6-51.1-58.9-37.100112.2V237 D332 C335 S338V237-Q330 CarbonylContact O-C 3.5Å; V237-Q330 PolarHBondContact O-N 3.03Å; Q330-D332 VanDerWaalsContact C-N 3.27Å; Q330-D332 PolarHBondContact O-N 3.35Å; Q330-C335 WeakPolarHBondContact CB-O 3.42Å; Q330-C335 WeakPolarHBondContact CG-O 3.14Å; Q330-S338 WeakPolarHBondContact O-CB 3.26Å; Q330-S338 PolarHBondContact O-OG 2.66Å; Q330-S338 VanDerWaalsContact O-OG 3.09Å
331P93.8Very high94.1Very high21 Ų2116.7 Ų16.714%0.13610%0.098CC..THydrogen-bonded Turntrans-73.8-18.6-177.628.7-33000113.3Y357 T359 A365P331-Y357 HydrophobicContact CB-CD1 4.28Å; P331-Y357 HydrophobicContact CB-CG 4.38Å; P331-Y357 HydrophobicContact CG-CD1 4.23Å; P331-T359 HydrophobicContact CB-CG2 4.14Å; P331-T359 HydrophobicContact CG-CG2 4.06Å; P331-A365 VanDerWaalsContact O-CB 3.28Å; P331-A365 WeakPolarHBondContact O-CB 3.44Å
332D93.7Very high94.2Very high4 Ų412.5 Ų12.52%0.0217%0.07CC..THydrogen-bonded Turntrans-82.3-12.8-172.960.34.2000114.6E38 Q330 E334 T359 T363 A365E38-D332 WeakPolarHBondContact CB-OD2 3.29Å; E38-D332 HydrophobicContact CG-CB 4.23Å; E38-D332 WeakPolarHBondContact CG-OD2 3.39Å; Q330-D332 VanDerWaalsContact C-N 3.27Å; Q330-D332 PolarHBondContact O-N 3.35Å; D332-E334 HydrophobicContact CB-CB 4.43Å; D332-E334 HydrophobicContact CB-CG 4.12Å; D332-E334 PolarHBondContact O-N 2.99Å; D332-E334 PolarHBondContact OD1-N 2.86Å; D332-T359 HydrophobicContact CB-CG2 3.83Å; D332-T363 HydrophobicContact CB-CG2 4.03Å; D332-A365 VanDerWaalsContact C-CB 3.48Å; D332-A365 VanDerWaalsContact O-CB 3.26Å; D332-A365 WeakPolarHBondContact O-CB 3.28Å; D332-A365 PolarHBondContact O-N 3.21Å
333L94.2Very high94.3Very high0 Ų010.7 Ų10.70%06%0.055CC..SBendtrans5823.2-170.1-59.1173.6000113.7A236 S338 R339 F342 L355 L364 A365 L368A236-L333 HydrophobicContact CB-CD2 4.31Å; L333-S338 WeakPolarHBondContact CD2-O 3.5Å; L333-S338 WeakPolarHBondContact CD2-OG 3.48Å; L333-R339 WeakPolarHBondContact O-CB 3.36Å; L333-R339 VanDerWaalsContact O-CD 3.3Å; L333-R339 WeakPolarHBondContact O-CD 3.47Å; L333-R339 WeakPolarHBondContact O-CG 3.36Å; L333-F342 HydrophobicContact CD1-CD2 3.85Å; L333-F342 HydrophobicContact CD1-CE2 4.19Å; L333-F342 HydrophobicContact CD1-CG 4.16Å; L333-F342 HydrophobicContact CD2-CB 3.94Å; L333-F342 HydrophobicContact CD2-CG 4.35Å; L333-L355 HydrophobicContact CD1-CD2 3.89Å; L333-L355 HydrophobicContact CG-CD2 4.35Å; L333-L364 HydrophobicContact CB-CB 4.19Å; L333-L364 HydrophobicContact CB-CD2 3.93Å; L333-L364 HydrophobicContact CB-CG 4.2Å; L333-L364 HydrophobicContact CD1-CD2 4.49Å; L333-L364 HydrophobicContact CD1-CG 4.45Å; L333-A365 HydrophobicContact CD1-CB 4.34Å; L333-A365 HydrophobicContact CG-CB 4.25Å; L333-L368 HydrophobicContact CD1-CD1 3.66Å
334E91.6Very high94.2Very high33 Ų3315.5 Ų15.515%0.1548%0.076CC..SBendtrans-91.3-31.9-179.9-70.8-58.2152.300113.3H39 D332 R339 T363 L364H39-E334 IonicContact CE1-OE1 3.05Å; D332-E334 HydrophobicContact CB-CB 4.43Å; D332-E334 HydrophobicContact CB-CG 4.12Å; D332-E334 PolarHBondContact O-N 2.99Å; D332-E334 PolarHBondContact OD1-N 2.86Å; E334-R339 VanDerWaalsContact C-CD 3.5Å; E334-R339 VanDerWaalsContact CA-NH1 3.35Å; E334-R339 WeakPolarHBondContact O-CD 3.19Å; E334-R339 PolarHBondContact O-NH1 2.8Å; E334-R339 IonicContact OE2-CZ 3.96Å; E334-R339 IonicContact OE2-NH1 3.58Å; E334-R339 PolarHBondContact OE2-NH1 3.28Å; E334-T363 HydrophobicContact CG-CG2 3.99Å; E334-T363 VanDerWaalsContact OE1-CA 3.31Å; E334-T363 WeakPolarHBondContact OE1-CA 3.29Å; E334-L364 PolarHBondContact OE1-N 3Å
335C91.1Very high94.2Very high1 Ų115.7 Ų15.71%0.0078%0.076CC..SBendtrans-146.9179176.665.30000111.8R105 Q330R105-C335 HydrophobicContact CG-CB 3.98Å; Q330-C335 WeakPolarHBondContact CB-O 3.42Å; Q330-C335 WeakPolarHBondContact CG-O 3.14Å
336G90.8Very high94Very high3 Ų315.7 Ų15.73%0.0318%0.076CC..Hα-helixtrans68.3-166.117600000114.4S338 R339 D340G336-S338 VanDerWaalsContact C-N 3.31Å; G336-S338 PolarHBondContact O-N 2.95Å; G336-R339 PolarHBondContact O-N 2.67Å; G336-D340 PolarHBondContact O-N 2.87Å
337F93.9Very high93.8Very high13 Ų1320.9 Ų20.96%0.05710%0.1CC..Hα-helixtrans-70.2-27.3-170.7-61.7-60.1000113.4L269 N271 H312 L314 R339 D340 L341L269-F337 HydrophobicContact CD1-CD2 4.04Å; L269-F337 HydrophobicContact CD1-CE2 4.23Å; L269-F337 HydrophobicContact CD1-CG 4.24Å; L269-F337 HydrophobicContact CD2-CB 3.54Å; L269-F337 HydrophobicContact CD2-CD1 4.16Å; L269-F337 HydrophobicContact CD2-CD2 4.25Å; L269-F337 HydrophobicContact CD2-CG 3.73Å; L269-F337 HydrophobicContact CG-CB 3.77Å; L269-F337 HydrophobicContact CG-CD1 4.4Å; L269-F337 HydrophobicContact CG-CD2 3.66Å; L269-F337 HydrophobicContact CG-CE2 4.35Å; L269-F337 HydrophobicContact CG-CG 3.68Å; N271-F337 WeakPolarHBondContact OD1-CE2 3.49Å; N271-F337 WeakPolarHBondContact OD1-CZ 2.93Å; H312-F337 WeakPolarHBondContact O-CE2 3.17Å; H312-F337 WeakPolarHBondContact O-CZ 3.34Å; L314-F337 HydrophobicContact CD2-CD1 4.02Å; L314-F337 HydrophobicContact CG-CD1 3.99Å; L314-F337 HydrophobicContact CG-CE1 4.14Å; F337-R339 VanDerWaalsContact C-N 3.3Å; F337-R339 PolarHBondContact O-N 2.74Å; F337-D340 PolarHBondContact O-N 3.14Å; F337-L341 HydrophobicContact CB-CD1 4.09Å; F337-L341 WeakPolarHBondContact O-CB 3.1Å; F337-L341 WeakPolarHBondContact O-CD1 3.44Å; F337-L341 PolarHBondContact O-N 2.56Å
338S95.6Very high93.6Very high0 Ų024 Ų240%012%0.117CC..Hα-helixtrans-60.5-41.6176.5-168.60000111.2A236 S329 Q330 L333 G336 F342A236-S338 WeakPolarHBondContact CB-OG 3.39Å; S329-S338 WeakPolarHBondContact O-CB 3.38Å; S329-S338 PolarHBondContact O-N 3.21Å; Q330-S338 WeakPolarHBondContact O-CB 3.26Å; Q330-S338 PolarHBondContact O-OG 2.66Å; Q330-S338 VanDerWaalsContact O-OG 3.09Å; L333-S338 WeakPolarHBondContact CD2-O 3.5Å; L333-S338 WeakPolarHBondContact CD2-OG 3.48Å; G336-S338 VanDerWaalsContact C-N 3.31Å; G336-S338 PolarHBondContact O-N 2.95Å; S338-F342 VanDerWaalsContact O-CB 3.23Å; S338-F342 WeakPolarHBondContact O-CB 3.45Å; S338-F342 PolarHBondContact O-N 3.07Å
339R94.1Very high93.6Very high25 Ų2528.4 Ų28.49%0.09415%0.145CC..Hα-helixtrans-65.2-47.1172.8-173.5169.3-172.7138.27112.3L333 E334 G336 F337 L341 F342 I343 E380L333-R339 WeakPolarHBondContact O-CB 3.36Å; L333-R339 VanDerWaalsContact O-CD 3.3Å; L333-R339 WeakPolarHBondContact O-CD 3.47Å; L333-R339 WeakPolarHBondContact O-CG 3.36Å; E334-R339 VanDerWaalsContact C-CD 3.5Å; E334-R339 VanDerWaalsContact CA-NH1 3.35Å; E334-R339 WeakPolarHBondContact O-CD 3.19Å; E334-R339 PolarHBondContact O-NH1 2.8Å; E334-R339 IonicContact OE2-CZ 3.96Å; E334-R339 IonicContact OE2-NH1 3.58Å; E334-R339 PolarHBondContact OE2-NH1 3.28Å; G336-R339 PolarHBondContact O-N 2.67Å; F337-R339 VanDerWaalsContact C-N 3.3Å; F337-R339 PolarHBondContact O-N 2.74Å; R339-L341 PolarHBondContact O-N 2.95Å; R339-F342 WeakPolarHBondContact O-CB 3.39Å; R339-F342 PolarHBondContact O-N 3.25Å; R339-I343 HydrophobicContact CG-CD1 3.85Å; R339-I343 WeakPolarHBondContact O-CD1 3.42Å; R339-I343 WeakPolarHBondContact O-CG1 3.48Å; R339-I343 PolarHBondContact O-N 2.79Å; R339-E380 PolarHBondContact NH2-O 3.05Å
340D92.9Very high93.9Very high43 Ų4333.6 Ų33.623%0.2317%0.168CC..Hα-helixtrans-60.9-45.4-179.1-72.6-24.6000112.5L314 G336 F337 I343 Q344L314-D340 HydrophobicContact CD1-CB 4.36Å; G336-D340 PolarHBondContact O-N 2.87Å; F337-D340 PolarHBondContact O-N 3.14Å; D340-I343 PolarHBondContact O-N 2.84Å; D340-Q344 VanDerWaalsContact O-CG 3.31Å; D340-Q344 WeakPolarHBondContact O-CG 3.37Å; D340-Q344 PolarHBondContact O-N 3.41Å; D340-Q344 VanDerWaalsContact O-N 3.14Å
341L95.4Very high94.1Very high0 Ų033.5 Ų33.50%017%0.168CC..Hα-helixtrans-67.6-38.6177.1-87.982.4000111.4L234 L269 L314 L317 V326 F337 R339 I343 Q344 W345L234-L341 HydrophobicContact CD1-CB 3.91Å; L234-L341 HydrophobicContact CD1-CD2 3.94Å; L234-L341 HydrophobicContact CD2-CB 4.03Å; L269-L341 HydrophobicContact CD2-CD1 3.53Å; L314-L341 HydrophobicContact CD2-CD1 3.57Å; L317-L341 HydrophobicContact CD2-CD1 4.17Å; L317-L341 HydrophobicContact CD2-CD2 3.79Å; L317-L341 HydrophobicContact CD2-CG 4.3Å; V326-L341 HydrophobicContact CB-CD2 3.92Å; V326-L341 HydrophobicContact CG1-CD2 3.79Å; V326-L341 HydrophobicContact CG2-CD2 4.15Å; F337-L341 HydrophobicContact CB-CD1 4.09Å; F337-L341 WeakPolarHBondContact O-CB 3.1Å; F337-L341 WeakPolarHBondContact O-CD1 3.44Å; F337-L341 PolarHBondContact O-N 2.56Å; R339-L341 PolarHBondContact O-N 2.95Å; L341-I343 PolarHBondContact O-N 3.08Å; L341-Q344 PolarHBondContact O-N 3.13Å; L341-W345 HydrophobicContact CD2-CE3 4.2Å; L341-W345 HydrophobicContact CD2-CH2 3.36Å; L341-W345 HydrophobicContact CD2-CZ2 3.72Å; L341-W345 HydrophobicContact CD2-CZ3 3.62Å; L341-W345 HydrophobicContact CG-CH2 4.27Å; L341-W345 HydrophobicContact CG-CZ2 4.18Å; L341-W345 VanDerWaalsContact O-CB 3.31Å; L341-W345 WeakPolarHBondContact O-CB 3.37Å; L341-W345 PolarHBondContact O-N 3.12Å
342F95.5Very high94.3Very high0 Ų032.5 Ų32.50%016%0.162CC..Hα-helixtrans-57.5-50.3175.9172.8-94.7000110.8L234 L333 S338 R339 Q344 W345 C346 I353 L364 L368 I379 I529 I531L234-F342 HydrophobicContact CD2-CB 3.93Å; L333-F342 HydrophobicContact CD1-CD2 3.85Å; L333-F342 HydrophobicContact CD1-CE2 4.19Å; L333-F342 HydrophobicContact CD1-CG 4.16Å; L333-F342 HydrophobicContact CD2-CB 3.94Å; L333-F342 HydrophobicContact CD2-CG 4.35Å; S338-F342 VanDerWaalsContact O-CB 3.23Å; S338-F342 WeakPolarHBondContact O-CB 3.45Å; S338-F342 PolarHBondContact O-N 3.07Å; R339-F342 WeakPolarHBondContact O-CB 3.39Å; R339-F342 PolarHBondContact O-N 3.25Å; F342-Q344 VanDerWaalsContact C-N 3.3Å; F342-Q344 PolarHBondContact O-N 3.01Å; F342-W345 PolarHBondContact O-N 3.46Å; F342-C346 HydrophobicContact CD2-CB 4.43Å; F342-C346 HydrophobicContact CE1-CB 4.42Å; F342-C346 HydrophobicContact CE2-CB 4.19Å; F342-C346 HydrophobicContact CZ-CB 4.19Å; F342-C346 WeakPolarHBondContact O-CB 3.26Å; F342-C346 PolarHBondContact O-N 2.92Å; F342-C346 PolarHBondContact O-SG 3.24Å; F342-I353 HydrophobicContact CD2-CD1 3.45Å; F342-I353 VanDerWaalsContact CD2-CD1 3.45Å; F342-I353 HydrophobicContact CD2-CG1 4.25Å; F342-I353 HydrophobicContact CD2-CG2 4.14Å; F342-I353 HydrophobicContact CE2-CD1 3.62Å; F342-L364 HydrophobicContact CD1-CD2 4.15Å; F342-L364 HydrophobicContact CE1-CD2 3.91Å; F342-L368 HydrophobicContact CD2-CD1 4.48Å; F342-L368 HydrophobicContact CE2-CD1 3.59Å; F342-L368 HydrophobicContact CZ-CD1 3.81Å; F342-I379 HydrophobicContact CD1-CD1 4.42Å; F342-I379 HydrophobicContact CE1-CD1 3.68Å; F342-I529 HydrophobicContact CE1-CD1 3.72Å; F342-I529 HydrophobicContact CZ-CD1 4.34Å; F342-I531 HydrophobicContact CZ-CD1 4Å; F342-I531 HydrophobicContact CZ-CG1 4.31Å
343I93.5Very high94.5Very high36 Ų3632.3 Ų32.319%0.18516%0.161CC..Hα-helixtrans-60-42178.9-65.1154.2000111R339 D340 L341 C346 L381R339-I343 HydrophobicContact CG-CD1 3.85Å; R339-I343 WeakPolarHBondContact O-CD1 3.42Å; R339-I343 WeakPolarHBondContact O-CG1 3.48Å; R339-I343 PolarHBondContact O-N 2.79Å; D340-I343 PolarHBondContact O-N 2.84Å; L341-I343 PolarHBondContact O-N 3.08Å; I343-C346 PolarHBondContact O-SG 3.08Å; I343-C346 VanDerWaalsContact O-SG 3.42Å; I343-L381 HydrophobicContact CB-CD2 4.47Å; I343-L381 HydrophobicContact CD1-CD2 3.39Å; I343-L381 HydrophobicContact CG1-CD2 3.85Å; I343-L381 HydrophobicContact CG2-CD2 3.81Å
344Q92.8Very high94.7Very high115 Ų11532.3 Ų32.354%0.53716%0.161SC..Hα-helixtrans-68.3-36.3179.9-71.2174.437.200113.4D340 L341 F342D340-Q344 VanDerWaalsContact O-CG 3.31Å; D340-Q344 WeakPolarHBondContact O-CG 3.37Å; D340-Q344 PolarHBondContact O-N 3.41Å; D340-Q344 VanDerWaalsContact O-N 3.14Å; L341-Q344 PolarHBondContact O-N 3.13Å; F342-Q344 VanDerWaalsContact C-N 3.3Å; F342-Q344 PolarHBondContact O-N 3.01Å
345W95.1Very high94.9Very high26 Ų2630.8 Ų30.810%0.09815%0.153CC..Hα-helixtrans-105.5-17.7-167.4-64.5-3.8000114N232 L234 L317 K324 V326 L341 F342 Q347 D348 N351N232-W345 HydrophobicContact CB-CD2 4.1Å; N232-W345 HydrophobicContact CB-CE3 3.81Å; N232-W345 HydrophobicContact CB-CH2 3.88Å; N232-W345 HydrophobicContact CB-CZ2 4.2Å; N232-W345 HydrophobicContact CB-CZ3 3.69Å; L234-W345 HydrophobicContact CB-CE3 3.91Å; L234-W345 HydrophobicContact CB-CZ3 4.06Å; L317-W345 HydrophobicContact CD2-CZ2 4.5Å; K324-W345 HydrophobicContact CG-CH2 4.37Å; V326-W345 HydrophobicContact CB-CH2 4.25Å; V326-W345 HydrophobicContact CB-CZ3 4.44Å; V326-W345 HydrophobicContact CG2-CH2 3.61Å; V326-W345 HydrophobicContact CG2-CZ3 4.2Å; L341-W345 HydrophobicContact CD2-CE3 4.2Å; L341-W345 HydrophobicContact CD2-CH2 3.36Å; L341-W345 HydrophobicContact CD2-CZ2 3.72Å; L341-W345 HydrophobicContact CD2-CZ3 3.62Å; L341-W345 HydrophobicContact CG-CH2 4.27Å; L341-W345 HydrophobicContact CG-CZ2 4.18Å; L341-W345 VanDerWaalsContact O-CB 3.31Å; L341-W345 WeakPolarHBondContact O-CB 3.37Å; L341-W345 PolarHBondContact O-N 3.12Å; F342-W345 PolarHBondContact O-N 3.46Å; W345-Q347 PolarHBondContact O-N 2.87Å; W345-D348 PolarHBondContact O-N 3.45Å; W345-N351 WeakPolarHBondContact CA-ND2 3.45Å; W345-N351 HydrophobicContact CB-CB 4.28Å; W345-N351 WeakPolarHBondContact CB-ND2 3.48Å; W345-N351 PolarHBondContact O-ND2 3.12Å
346C94Very high95.2Very high0 Ų031 Ų310%015%0.154CC..THydrogen-bonded Turntrans-63.7-25.3-176.263.50000113.9F342 I343 I353 I529 I531 K532 A533F342-C346 HydrophobicContact CD2-CB 4.43Å; F342-C346 HydrophobicContact CE1-CB 4.42Å; F342-C346 HydrophobicContact CE2-CB 4.19Å; F342-C346 HydrophobicContact CZ-CB 4.19Å; F342-C346 WeakPolarHBondContact O-CB 3.26Å; F342-C346 PolarHBondContact O-N 2.92Å; F342-C346 PolarHBondContact O-SG 3.24Å; I343-C346 PolarHBondContact O-SG 3.08Å; I343-C346 VanDerWaalsContact O-SG 3.42Å; C346-I353 HydrophobicContact CB-CD1 4.04Å; C346-I529 VanDerWaalsContact SG-CD1 3.57Å; C346-I531 HydrophobicContact CB-CG2 4.48Å; C346-I531 CarbonylContact O-C 3.46Å; C346-K532 PolarHBondContact O-N 3.18Å; C346-A533 WeakPolarHBondContact O-CB 3.38Å; C346-A533 PolarHBondContact O-N 2.78Å
347Q93.5Very high95.4Very high108 Ų10831.5 Ų31.551%0.50516%0.156SC..THydrogen-bonded Turntrans-83.3-11.3-177.7-62-173.8-0.900113.9W345 K532W345-Q347 PolarHBondContact O-N 2.87Å; Q347-K532 WeakPolarHBondContact O-CB 3.29Å; Q347-K532 WeakPolarHBondContact O-CD 3.44Å
348D95.6Very high95.4Very high66 Ų6632 Ų3235%0.35316%0.157SC..  trans-98118.9177.8-172-19.5000110.3W345 K350 N351 A533W345-D348 PolarHBondContact O-N 3.45Å; D348-K350 PolarHBondContact O-N 3.47Å; D348-K350 VanDerWaalsContact O-N 3.15Å; D348-K350 WeakPolarHBondContact OD1-CB 3.46Å; D348-K350 WeakPolarHBondContact OD1-CG 3.42Å; D348-K350 PolarHBondContact OD1-N 3.34Å; D348-N351 WeakPolarHBondContact CB-ND2 3.29Å; D348-N351 PolarHBondContact O-N 2.92Å; D348-N351 VanDerWaalsContact O-N 3.13Å; D348-A533 WeakPolarHBondContact O-CA 3.42Å
349P95.8Very high95.2Very high92 Ų9232 Ų3260%0.59716%0.157SC*.THydrogen-bonded Turntrans-65.4-13.818028.3-36.7000114.5N351 K532P349-N351 VanDerWaalsContact C-N 3.32Å; P349-K532 WeakPolarHBondContact CA-O 3.32Å; P349-K532 HydrophobicContact CB-CB 4.26Å
350K96.4Very high95Very high109 Ų10931.2 Ų31.247%0.47416%0.155SC..THydrogen-bonded Turntrans-74.7-25.2174.9-63.5178.6179.1-177.10112.5T226 D348T226-K350 WeakPolarHBondContact CG2-O 3.31Å; D348-K350 PolarHBondContact O-N 3.47Å; D348-K350 VanDerWaalsContact O-N 3.15Å; D348-K350 WeakPolarHBondContact OD1-CB 3.46Å; D348-K350 WeakPolarHBondContact OD1-CG 3.42Å; D348-K350 PolarHBondContact OD1-N 3.34Å
351N97.4Very high94.8Very high9 Ų932 Ų325%0.04816%0.163CC..  trans-80157.9-175.7-66.3-29.2000111.9N232 W345 D348 P349 A533 R534N232-N351 PolarHBondContact N-OD1 3.34Å; N232-N351 WeakPolarHBondContact O-CA 3.18Å; W345-N351 WeakPolarHBondContact CA-ND2 3.45Å; W345-N351 HydrophobicContact CB-CB 4.28Å; W345-N351 WeakPolarHBondContact CB-ND2 3.48Å; W345-N351 PolarHBondContact O-ND2 3.12Å; D348-N351 WeakPolarHBondContact CB-ND2 3.29Å; D348-N351 PolarHBondContact O-N 2.92Å; D348-N351 VanDerWaalsContact O-N 3.13Å; P349-N351 VanDerWaalsContact C-N 3.32Å; N351-A533 HydrophobicContact CB-CB 4.14Å; N351-A533 WeakPolarHBondContact O-CA 3.45Å; N351-A533 WeakPolarHBondContact O-CB 3.22Å; N351-R534 PolarHBondContact O-N 2.83Å
352S97.6Very high94.5Very high0 Ų035.1 Ų35.10%020%0.195CC..EExtended strand (participates in β ladder)trans-128.1139.6173.9-170.80000110.6N222 T226 N232 V233 L234 R534N222-S352 PolarHBondContact OD1-OG 3.21Å; T226-S352 WeakPolarHBondContact OG1-CB 3.47Å; N232-S352 PolarHBondContact O-N 2.78Å; V233-S352 WeakPolarHBondContact CA-O 3.35Å; L234-S352 PolarHBondContact N-O 3.04Å; S352-R534 CarbonylContact C-O 3.58Å; S352-R534 VanDerWaalsContact CA-O 3.31Å; S352-R534 WeakPolarHBondContact CA-O 3.21Å; S352-R534 PolarHBondContact OG-O 2.9Å
353I97.4Very high94.4Very high0 Ų035.3 Ų35.30%020%0.196CC..EExtended strand (participates in β ladder)trans-119.9116.3177.7-64154.1000106.9L234 F342 C346 L355 A533 R534 V535 T536L234-I353 HydrophobicContact CB-CG1 4.3Å; L234-I353 HydrophobicContact CD2-CG1 4.36Å; L234-I353 HydrophobicContact CD2-CG2 4.33Å; L234-I353 CarbonylContact O-C 3.59Å; L234-I353 WeakPolarHBondContact O-CA 3.43Å; F342-I353 HydrophobicContact CD2-CD1 3.45Å; F342-I353 VanDerWaalsContact CD2-CD1 3.45Å; F342-I353 HydrophobicContact CD2-CG1 4.25Å; F342-I353 HydrophobicContact CD2-CG2 4.14Å; F342-I353 HydrophobicContact CE2-CD1 3.62Å; C346-I353 HydrophobicContact CB-CD1 4.04Å; I353-L355 HydrophobicContact CG2-CD2 4.29Å; I353-A533 HydrophobicContact CD1-CB 3.92Å; I353-R534 PolarHBondContact N-O 3.49Å; I353-V535 HydrophobicContact CB-CG2 4.31Å; I353-V535 HydrophobicContact CD1-CG2 4.23Å; I353-V535 CarbonylContact O-C 3.26Å; I353-V535 WeakPolarHBondContact O-CA 3.22Å; I353-T536 PolarHBondContact O-N 2.96Å
354I97.9Very high94.4Very high0 Ų034.3 Ų34.30%019%0.191CC..EExtended strand (participates in β ladder)trans-108.9113.7-176.9-54.9-177.5000108.4L219 N222 V223 V233 L234 I235 A236 T356 T536 I538L219-I354 HydrophobicContact CD1-CD1 3.74Å; L219-I354 HydrophobicContact CD1-CG2 4.11Å; N222-I354 HydrophobicContact CB-CD1 4.23Å; V223-I354 HydrophobicContact CG2-CD1 4.01Å; V233-I354 HydrophobicContact CG1-CD1 3.75Å; V233-I354 HydrophobicContact CG1-CG1 4.09Å; L234-I354 PolarHBondContact O-N 2.78Å; I235-I354 WeakPolarHBondContact CA-O 3.31Å; I235-I354 HydrophobicContact CG1-CB 4.24Å; I235-I354 HydrophobicContact CG1-CD1 4.46Å; I235-I354 HydrophobicContact CG2-CB 4.42Å; A236-I354 PolarHBondContact N-O 3.01Å; I354-T356 HydrophobicContact CG2-CG2 4.12Å; I354-T536 WeakPolarHBondContact CA-O 3.39Å; I354-I538 HydrophobicContact CG2-CB 4.3Å; I354-I538 HydrophobicContact CG2-CD1 3.92Å; I354-I538 HydrophobicContact CG2-CG1 4.23Å
355L97.7Very high94.4Very high1 Ų128.9 Ų28.91%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-90.8124.6174.4-58.2178.3000108.3A236 L333 I353 A365 L368 I369 V535 T536 Y537 I538A236-L355 HydrophobicContact CB-CD2 3.86Å; L333-L355 HydrophobicContact CD1-CD2 3.89Å; L333-L355 HydrophobicContact CG-CD2 4.35Å; I353-L355 HydrophobicContact CG2-CD2 4.29Å; L355-A365 HydrophobicContact CD1-CB 4.37Å; L355-A365 HydrophobicContact CD2-CB 4.27Å; L355-L368 HydrophobicContact CD1-CB 3.83Å; L355-L368 HydrophobicContact CD1-CD1 4.37Å; L355-I369 HydrophobicContact CB-CG1 4.49Å; L355-I369 HydrophobicContact CD1-CD1 4.36Å; L355-I369 HydrophobicContact CD1-CG1 3.76Å; L355-V535 HydrophobicContact CD1-CG1 4.14Å; L355-V535 HydrophobicContact CG-CG1 4.43Å; L355-T536 PolarHBondContact N-O 2.82Å; L355-Y537 HydrophobicContact CB-CD2 4.19Å; L355-Y537 WeakPolarHBondContact O-CA 3.22Å; L355-Y537 WeakPolarHBondContact O-CD2 3.5Å; L355-I538 PolarHBondContact O-N 3.41Å
356T96.6Very high94.3Very high4 Ų429 Ų293%0.02517%0.166CC..  trans-108.6-11.4-172.761.10000114.9I235 A236 L246 I354 I538 Y540I235-T356 HydrophobicContact CG2-CG2 3.46Å; I235-T356 VanDerWaalsContact CG2-CG2 3.46Å; A236-T356 PolarHBondContact O-OG1 3.19Å; L246-T356 HydrophobicContact CD1-CG2 3.87Å; L246-T356 HydrophobicContact CD2-CG2 4.47Å; I354-T356 HydrophobicContact CG2-CG2 4.12Å; T356-I538 WeakPolarHBondContact CA-O 3.41Å; T356-Y540 HydrophobicContact CG2-CD2 4.33Å; T356-Y540 PolarHBondContact O-N 3.23Å
357Y94.8Very high94.3Very high15 Ų1531.9 Ų31.96%0.05918%0.179CC..SBendtrans-136.6143.6-173.6-169.9-92.2000109.7P331 T359 E541 R543P331-Y357 HydrophobicContact CB-CD1 4.28Å; P331-Y357 HydrophobicContact CB-CG 4.38Å; P331-Y357 HydrophobicContact CG-CD1 4.23Å; Y357-T359 HydrophobicContact CD1-CG2 3.74Å; Y357-T359 HydrophobicContact CE1-CG2 4.28Å; Y357-E541 HydrophobicContact CD2-CB 3.78Å; Y357-E541 HydrophobicContact CE2-CB 4.03Å; Y357-R543 VanDerWaalsContact CE2-NH1 3.32Å; Y357-R543 PolarHBondContact OH-NH1 2.77Å; Y357-R543 PolarHBondContact OH-NH2 3.42Å
358R93.1Very high94.3Very high22 Ų2227.2 Ų27.28%0.08316%0.157CC..  trans-96.7110177.7-161.4-168.6-37.8146.313.1108.4F203 N204 R366 I369 E541F203-R358 VanDerWaalsContact CE1-NH1 3.32Å; F203-R358 HydrophobicContact CZ-CB 4.35Å; F203-R358 HydrophobicContact CZ-CG 4.46Å; N204-R358 PolarHBondContact OD1-NH1 2.85Å; N204-R358 PolarHBondContact OD1-NH2 2.97Å; R358-R366 VanDerWaalsContact CD-CZ 3.42Å; R358-I369 HydrophobicContact CG-CD1 4.42Å; R358-E541 IonicContact NH2-OE1 2.75Å; R358-E541 PolarHBondContact NH2-OE1 2.74Å; R358-E541 IonicContact NH2-OE2 3.96Å
359T91.8Very high94.2Very high2 Ų225.5 Ų25.51%0.01215%0.148CC..  trans-91.7177.7-17651.10000111.9P331 D332 Y357 T363 R366P331-T359 HydrophobicContact CB-CG2 4.14Å; P331-T359 HydrophobicContact CG-CG2 4.06Å; D332-T359 HydrophobicContact CB-CG2 3.83Å; Y357-T359 HydrophobicContact CD1-CG2 3.74Å; Y357-T359 HydrophobicContact CE1-CG2 4.28Å; T359-T363 PolarHBondContact OG1-OG1 2.79Å; T359-R366 WeakPolarHBondContact O-CD 3.34Å; T359-R366 PolarHBondContact O-NE 3.36Å
360T90.4Very high94Very high7 Ų725.2 Ų25.24%0.04314%0.141CC..  trans-55.6143.2177.548.40000112.8E16 E38 L66 G362 T363 R366E16-T360 VanDerWaalsContact O-CG2 3.25Å; E16-T360 WeakPolarHBondContact O-CG2 3.38Å; E38-T360 PolarHBondContact OE1-N 2.84Å; E38-T360 PolarHBondContact OE1-OG1 2.88Å; E38-T360 WeakPolarHBondContact OE2-CB 3.24Å; E38-T360 WeakPolarHBondContact OE2-CG2 3.3Å; E38-T360 PolarHBondContact OE2-OG1 2.8Å; L66-T360 HydrophobicContact CD2-CG2 4.45Å; T360-G362 PolarHBondContact O-N 3.04Å; T360-T363 PolarHBondContact O-N 3.17Å; T360-T363 PolarHBondContact O-OG1 3Å; T360-T363 WeakPolarHBondContact OG1-CG2 3.3Å; T360-R366 WeakPolarHBondContact O-CB 3.46Å
361P89.4Confident93.7Very high60 Ų6023.1 Ų23.139%0.3914%0.135SC..THydrogen-bonded Turntrans-50.3135166.4-26.734.8000111.7E16E16-P361 HydrophobicContact CB-CG 4.16Å
362G88.6Confident93Very high66 Ų6627.6 Ų27.668%0.6817%0.165SC*.THydrogen-bonded Turntrans93.71.2-177.800000115H39 T360H39-G362 PolarHBondContact NE2-O 3.18Å; H39-G362 VanDerWaalsContact NE2-O 3.16Å; T360-G362 PolarHBondContact O-N 3.04Å
363T92.7Very high92.1Very high3 Ų333.2 Ų33.22%0.01820%0.204CC..SBendtrans-89.4155167.756.70000112E38 D332 E334 T359 T360 A365 R366 F367E38-T363 HydrophobicContact CB-CG2 4.15Å; E38-T363 HydrophobicContact CG-CG2 4.44Å; D332-T363 HydrophobicContact CB-CG2 4.03Å; E334-T363 HydrophobicContact CG-CG2 3.99Å; E334-T363 VanDerWaalsContact OE1-CA 3.31Å; E334-T363 WeakPolarHBondContact OE1-CA 3.29Å; T359-T363 PolarHBondContact OG1-OG1 2.79Å; T360-T363 PolarHBondContact O-N 3.17Å; T360-T363 PolarHBondContact O-OG1 3Å; T360-T363 WeakPolarHBondContact OG1-CG2 3.3Å; T363-A365 PolarHBondContact O-N 2.98Å; T363-R366 PolarHBondContact O-N 3.46Å; T363-R366 VanDerWaalsContact OG1-CB 3.31Å; T363-R366 WeakPolarHBondContact OG1-CB 3.44Å; T363-R366 PolarHBondContact OG1-N 2.99Å; T363-F367 PolarHBondContact O-N 2.82Å
364L93.1Very high91.2Very high16 Ų1637.9 Ų37.98%0.08423%0.225CC..Hα-helixtrans-59.8-43.6177.6178.761.8000112.1L333 E334 F342 R366 F367 L368 T377 I379L333-L364 HydrophobicContact CB-CB 4.19Å; L333-L364 HydrophobicContact CB-CD2 3.93Å; L333-L364 HydrophobicContact CB-CG 4.2Å; L333-L364 HydrophobicContact CD1-CD2 4.49Å; L333-L364 HydrophobicContact CD1-CG 4.45Å; E334-L364 PolarHBondContact OE1-N 3Å; F342-L364 HydrophobicContact CD1-CD2 4.15Å; F342-L364 HydrophobicContact CE1-CD2 3.91Å; L364-R366 VanDerWaalsContact C-N 3.32Å; L364-R366 PolarHBondContact O-N 2.96Å; L364-F367 WeakPolarHBondContact O-CB 3.43Å; L364-F367 PolarHBondContact O-N 3.05Å; L364-L368 HydrophobicContact CG-CD1 4.44Å; L364-L368 WeakPolarHBondContact O-CG 3.24Å; L364-L368 PolarHBondContact O-N 3Å; L364-T377 HydrophobicContact CD1-CG2 4.28Å; L364-I379 HydrophobicContact CD1-CD1 4.07Å; L364-I379 HydrophobicContact CD2-CD1 3.73Å
365A93.9Very high90.2Very high0 Ų043.5 Ų43.50%025%0.25CC..Hα-helixtrans-60-42.8175.900000111.8P331 D332 L333 L355 T363 F367 L368 I369P331-A365 VanDerWaalsContact O-CB 3.28Å; P331-A365 WeakPolarHBondContact O-CB 3.44Å; D332-A365 VanDerWaalsContact C-CB 3.48Å; D332-A365 VanDerWaalsContact O-CB 3.26Å; D332-A365 WeakPolarHBondContact O-CB 3.28Å; D332-A365 PolarHBondContact O-N 3.21Å; L333-A365 HydrophobicContact CD1-CB 4.34Å; L333-A365 HydrophobicContact CG-CB 4.25Å; L355-A365 HydrophobicContact CD1-CB 4.37Å; L355-A365 HydrophobicContact CD2-CB 4.27Å; T363-A365 PolarHBondContact O-N 2.98Å; A365-F367 PolarHBondContact O-N 3.44Å; A365-L368 PolarHBondContact O-N 2.96Å; A365-I369 VanDerWaalsContact O-CG1 3.3Å; A365-I369 WeakPolarHBondContact O-CG1 3.3Å; A365-I369 PolarHBondContact O-N 3.48Å; A365-I369 VanDerWaalsContact O-N 3.07Å
366R93.3Very high89.5Confident30 Ų3048.8 Ų48.811%0.11328%0.277CS..Hα-helixtrans-63.4-42.6177.9-166.660.3159.1123.9-3.5111.9E16 R358 T359 T360 T363 L364 L368 I369 D370E16-R366 IonicContact OE1-NH2 3.86Å; E16-R366 PolarHBondContact OE1-NH2 3.45Å; E16-R366 IonicContact OE2-CZ 3.96Å; E16-R366 IonicContact OE2-NE 2.78Å; E16-R366 PolarHBondContact OE2-NE 3.36Å; E16-R366 IonicContact OE2-NH2 3.73Å; E16-R366 PolarHBondContact OE2-NH2 3.05Å; R358-R366 VanDerWaalsContact CD-CZ 3.42Å; T359-R366 WeakPolarHBondContact O-CD 3.34Å; T359-R366 PolarHBondContact O-NE 3.36Å; T360-R366 WeakPolarHBondContact O-CB 3.46Å; T363-R366 PolarHBondContact O-N 3.46Å; T363-R366 VanDerWaalsContact OG1-CB 3.31Å; T363-R366 WeakPolarHBondContact OG1-CB 3.44Å; T363-R366 PolarHBondContact OG1-N 2.99Å; L364-R366 VanDerWaalsContact C-N 3.32Å; L364-R366 PolarHBondContact O-N 2.96Å; R366-L368 VanDerWaalsContact C-N 3.3Å; R366-L368 PolarHBondContact O-N 3.32Å; R366-I369 PolarHBondContact O-N 3.07Å; R366-I369 VanDerWaalsContact O-N 3.15Å; R366-D370 IonicContact CZ-OD1 2.82Å; R366-D370 IonicContact CZ-OD2 2.71Å; R366-D370 IonicContact NE-OD2 3.71Å; R366-D370 IonicContact NH1-OD1 2.82Å; R366-D370 PolarHBondContact NH1-OD1 2.88Å; R366-D370 IonicContact NH1-OD2 3.73Å; R366-D370 PolarHBondContact NH1-OD2 2.77Å; R366-D370 PolarHBondContact O-N 3.33Å
367F93.7Very high88.9Confident60 Ų6049.4 Ų49.426%0.26328%0.281SS..Hα-helixtrans-57.3-42174.5172.8-95.5000112.6T363 L364 A365 I369 D370 N371 E374 T377T363-F367 PolarHBondContact O-N 2.82Å; L364-F367 WeakPolarHBondContact O-CB 3.43Å; L364-F367 PolarHBondContact O-N 3.05Å; A365-F367 PolarHBondContact O-N 3.44Å; F367-I369 VanDerWaalsContact C-N 3.35Å; F367-D370 PolarHBondContact O-N 3.45Å; F367-N371 HydrophobicContact CE2-CB 4.34Å; F367-N371 WeakPolarHBondContact O-CB 3.25Å; F367-N371 PolarHBondContact O-N 3.46Å; F367-N371 PolarHBondContact O-ND2 2.91Å; F367-E374 HydrophobicContact CZ-CB 4.25Å; F367-E374 WeakPolarHBondContact CZ-OE2 3.22Å; F367-T377 HydrophobicContact CD1-CG2 4.42Å; F367-T377 HydrophobicContact CE1-CG2 3.94Å; F367-T377 WeakPolarHBondContact CE1-OG1 3.18Å; F367-T377 HydrophobicContact CZ-CG2 4.49Å
368L93.2Very high88.3Confident10 Ų1055.8 Ų55.85%0.05231%0.311CS..Hα-helixtrans-69.6-29.3177.7-67173.9000113.6L333 F342 L355 L364 A365 R366 I531 V535L333-L368 HydrophobicContact CD1-CD1 3.66Å; F342-L368 HydrophobicContact CD2-CD1 4.48Å; F342-L368 HydrophobicContact CE2-CD1 3.59Å; F342-L368 HydrophobicContact CZ-CD1 3.81Å; L355-L368 HydrophobicContact CD1-CB 3.83Å; L355-L368 HydrophobicContact CD1-CD1 4.37Å; L364-L368 HydrophobicContact CG-CD1 4.44Å; L364-L368 WeakPolarHBondContact O-CG 3.24Å; L364-L368 PolarHBondContact O-N 3Å; A365-L368 PolarHBondContact O-N 2.96Å; R366-L368 VanDerWaalsContact C-N 3.3Å; R366-L368 PolarHBondContact O-N 3.32Å; L368-I531 HydrophobicContact CD2-CD1 3.64Å; L368-V535 HydrophobicContact CB-CG1 4.2Å; L368-V535 HydrophobicContact CD1-CG1 4.42Å
369I93.6Very high88Confident30 Ų3055 Ų5515%0.15431%0.309CS..Hα-helixtrans-70.6-46.6175.1-66.8167.1000110L355 R358 A365 R366 F367 Y537L355-I369 HydrophobicContact CB-CG1 4.49Å; L355-I369 HydrophobicContact CD1-CD1 4.36Å; L355-I369 HydrophobicContact CD1-CG1 3.76Å; R358-I369 HydrophobicContact CG-CD1 4.42Å; A365-I369 VanDerWaalsContact O-CG1 3.3Å; A365-I369 WeakPolarHBondContact O-CG1 3.3Å; A365-I369 PolarHBondContact O-N 3.48Å; A365-I369 VanDerWaalsContact O-N 3.07Å; R366-I369 PolarHBondContact O-N 3.07Å; R366-I369 VanDerWaalsContact O-N 3.15Å; F367-I369 VanDerWaalsContact C-N 3.35Å; I369-Y537 HydrophobicContact CD1-CD2 3.68Å; I369-Y537 HydrophobicContact CD1-CE2 3.99Å; I369-Y537 HydrophobicContact CD1-CG 4.33Å; I369-Y537 HydrophobicContact CG1-CD2 3.89Å; I369-Y537 HydrophobicContact CG1-CG 4.11Å; I369-Y537 HydrophobicContact CG2-CD1 4.4Å; I369-Y537 HydrophobicContact CG2-CG 4.22Å
370D91.4Very high87.6Confident86 Ų8657.8 Ų57.846%0.4632%0.321SS..Hα-helixtrans-81.3-30.3-172.5-62.2-21.7000112.5R366 F367 P372R366-D370 IonicContact CZ-OD1 2.82Å; R366-D370 IonicContact CZ-OD2 2.71Å; R366-D370 IonicContact NE-OD2 3.71Å; R366-D370 IonicContact NH1-OD1 2.82Å; R366-D370 PolarHBondContact NH1-OD1 2.88Å; R366-D370 IonicContact NH1-OD2 3.73Å; R366-D370 PolarHBondContact NH1-OD2 2.77Å; R366-D370 PolarHBondContact O-N 3.33Å; F367-D370 PolarHBondContact O-N 3.45Å; D370-P372 VanDerWaalsContact C-CD 3.4Å; D370-P372 VanDerWaalsContact O-CD 3.27Å; D370-P372 WeakPolarHBondContact O-CD 3.27Å
371N89.8Confident87.1Confident64 Ų6459.2 Ų59.234%0.34233%0.329SS..  trans-120.664-176.8-56.7-67.6000113.3F367 S373 E374F367-N371 HydrophobicContact CE2-CB 4.34Å; F367-N371 WeakPolarHBondContact O-CB 3.25Å; F367-N371 PolarHBondContact O-N 3.46Å; F367-N371 PolarHBondContact O-ND2 2.91Å; N371-S373 PolarHBondContact O-N 2.86Å; N371-E374 HydrophobicContact CB-CB 4.47Å; N371-E374 HydrophobicContact CB-CG 4.12Å; N371-E374 PolarHBondContact O-N 3.46Å
372P82.4Confident86.8Confident104 Ų10460.2 Ų60.268%0.67533%0.325SS*.THydrogen-bonded Turntrans-69.3-10.2-173.729.4-37.5000114.8D370D370-P372 VanDerWaalsContact C-CD 3.4Å; D370-P372 VanDerWaalsContact O-CD 3.27Å; D370-P372 WeakPolarHBondContact O-CD 3.27Å
373S79.9Confident86.4Confident117 Ų11764 Ų6482%0.81832%0.322SS*.THydrogen-bonded Turntrans-91.2-14.3179.6-60.80000113.2N371N371-S373 PolarHBondContact O-N 2.86Å
374E76.9Confident85.9Confident98 Ų9866.6 Ų66.646%0.45833%0.332SS..  trans-77.6128.4-178.9-67.8-163.9-15900110.5F367 N371F367-E374 HydrophobicContact CZ-CB 4.25Å; F367-E374 WeakPolarHBondContact CZ-OE2 3.22Å; N371-E374 HydrophobicContact CB-CB 4.47Å; N371-E374 HydrophobicContact CB-CG 4.12Å; N371-E374 PolarHBondContact O-N 3.46Å
375K77.9Confident85.3Confident118 Ų11868.8 Ų68.851%0.51335%0.346SS..  trans-115-7.7-168.3-145.1162.3-173.6158.50113.5E530 I531K375-E530 CarbonylContact O-C 3.57Å; K375-E530 VanDerWaalsContact O-CA 3.29Å; K375-E530 WeakPolarHBondContact O-CA 3.37Å; K375-I531 WeakPolarHBondContact CE-O 3.44Å; K375-I531 WeakPolarHBondContact CG-O 3.44Å; K375-I531 PolarHBondContact O-N 3.06Å
376I82.3Confident84.6Confident112 Ų11274.8 Ų74.857%0.57437%0.372SS*.EExtended strand (participates in β ladder)trans-132.6128178.8-54.9172.3000106.7I529 E530I376-I529 WeakPolarHBondContact CA-O 3.44Å; I376-E530 HydrophobicContact CG1-CG 4.34Å
377T84.4Confident83.8Confident18 Ų1874.2 Ų74.211%0.1137%0.371CS..EExtended strand (participates in β ladder)trans-137.8137.9179.7-52.40000109.1L364 F367 I379 I529L364-T377 HydrophobicContact CD1-CG2 4.28Å; F367-T377 HydrophobicContact CD1-CG2 4.42Å; F367-T377 HydrophobicContact CE1-CG2 3.94Å; F367-T377 WeakPolarHBondContact CE1-OG1 3.18Å; F367-T377 HydrophobicContact CZ-CG2 4.49Å; T377-I379 HydrophobicContact CG2-CG1 4.13Å; T377-I529 PolarHBondContact N-O 3.23Å; T377-I529 VanDerWaalsContact N-O 3.1Å; T377-I529 PolarHBondContact O-N 3.25Å
378E83.4Confident82.8Confident148 Ų14879.1 Ų79.169%0.69240%0.395SS*.EExtended strand (participates in β ladder)trans-80.3121.7170.7-67.3-176.5179.400108.9T526E378-T526 HydrophobicContact CB-CG2 4.32Å
379I85.4Confident81.8Confident5 Ų581.1 Ų81.13%0.02642%0.418CS..EExtended strand (participates in β ladder)trans-124.5135.6-178.6-61-169.6000109.1F342 L364 T377 L381 E527 I529F342-I379 HydrophobicContact CD1-CD1 4.42Å; F342-I379 HydrophobicContact CE1-CD1 3.68Å; L364-I379 HydrophobicContact CD1-CD1 4.07Å; L364-I379 HydrophobicContact CD2-CD1 3.73Å; T377-I379 HydrophobicContact CG2-CG1 4.13Å; I379-L381 HydrophobicContact CG2-CD2 4.33Å; I379-L381 PolarHBondContact O-N 2.79Å; I379-E527 PolarHBondContact N-O 2.73Å; I379-E527 PolarHBondContact O-N 3.1Å; I379-I529 HydrophobicContact CB-CG1 4.48Å; I379-I529 HydrophobicContact CD1-CD1 3.29Å; I379-I529 HydrophobicContact CD1-CG1 3.62Å; I379-I529 HydrophobicContact CG1-CD1 4.18Å; I379-I529 HydrophobicContact CG1-CG1 3.93Å
380E84.8Confident80.6Confident61 Ų6187.5 Ų87.529%0.28545%0.445SS..EExtended strand (participates in β ladder)trans-78.3115.1169-165.2-172.3160.600109.6R339 R382 S524R339-E380 PolarHBondContact NH2-O 3.05Å; E380-R382 VanDerWaalsContact CD-NE 3.3Å; E380-R382 VanDerWaalsContact CD-NH2 3.34Å; E380-R382 HydrophobicContact CG-CG 4.3Å; E380-R382 IonicContact OE1-CZ 2.62Å; E380-R382 IonicContact OE1-NE 3.55Å; E380-R382 PolarHBondContact OE1-NE 3.25Å; E380-R382 IonicContact OE1-NH2 2.84Å; E380-R382 PolarHBondContact OE1-NH2 2.93Å; E380-R382 IonicContact OE2-CZ 3.57Å; E380-R382 IonicContact OE2-NE 3.99Å; E380-R382 IonicContact OE2-NH2 3.87Å; E380-R382 PolarHBondContact OE2-NH2 2.71Å; E380-S524 WeakPolarHBondContact CG-OG 3.28Å; E380-S524 WeakPolarHBondContact OE1-CB 3.15Å; E380-S524 PolarHBondContact OE1-OG 2.78Å
381L79.8Confident79.6Confident37 Ų3788.2 Ų88.219%0.19445%0.445CS..EExtended strand (participates in β ladder)trans-89.7110.4173.4-59-177.5000108.7I343 I379 S524 T525 E527I343-L381 HydrophobicContact CB-CD2 4.47Å; I343-L381 HydrophobicContact CD1-CD2 3.39Å; I343-L381 HydrophobicContact CG1-CD2 3.85Å; I343-L381 HydrophobicContact CG2-CD2 3.81Å; I379-L381 HydrophobicContact CG2-CD2 4.33Å; I379-L381 PolarHBondContact O-N 2.79Å; L381-S524 WeakPolarHBondContact O-CA 3.31Å; L381-T525 WeakPolarHBondContact CB-O 3.03Å; L381-T525 PolarHBondContact N-O 2.92Å; L381-T525 PolarHBondContact O-N 2.9Å; L381-E527 HydrophobicContact CD1-CB 3.98Å; L381-E527 VanDerWaalsContact CD1-CD 3.48Å; L381-E527 HydrophobicContact CD1-CG 3.73Å; L381-E527 WeakPolarHBondContact CD1-OE2 3.37Å; L381-E527 HydrophobicContact CG-CB 4.42Å; L381-E527 HydrophobicContact CG-CG 4.46Å
382R83.1Confident78.7Confident81 Ų8187.7 Ų87.731%0.30644%0.442SS..EExtended strand (participates in β ladder)trans-102125.1173.6-64.2-174.6-177158.413.8109E109 E380 I523E109-R382 IonicContact OE1-NH1 3.59Å; E109-R382 IonicContact OE2-CZ 3.16Å; E109-R382 IonicContact OE2-NH1 3.89Å; E109-R382 PolarHBondContact OE2-NH1 2.77Å; E380-R382 VanDerWaalsContact CD-NE 3.3Å; E380-R382 VanDerWaalsContact CD-NH2 3.34Å; E380-R382 HydrophobicContact CG-CG 4.3Å; E380-R382 IonicContact OE1-CZ 2.62Å; E380-R382 IonicContact OE1-NE 3.55Å; E380-R382 PolarHBondContact OE1-NE 3.25Å; E380-R382 IonicContact OE1-NH2 2.84Å; E380-R382 PolarHBondContact OE1-NH2 2.93Å; E380-R382 IonicContact OE2-CZ 3.57Å; E380-R382 IonicContact OE2-NE 3.99Å; E380-R382 IonicContact OE2-NH2 3.87Å; E380-R382 PolarHBondContact OE2-NH2 2.71Å; R382-I523 WeakPolarHBondContact CA-O 3.35Å
383K79.2Confident78Confident145 Ų14588.7 Ų88.763%0.6344%0.438SS*.EExtended strand (participates in β ladder)trans-139.4130.7177.9-171.7174.5-177176.80110.9V385 I523K383-V385 HydrophobicContact CD-CG2 4.35Å; K383-V385 HydrophobicContact CG-CG2 4.14Å; K383-I523 PolarHBondContact N-O 3.41Å; K383-I523 PolarHBondContact O-N 3.48Å
384R81.8Confident77.7Confident59 Ų5988.9 Ų88.922%0.22343%0.426CS..EExtended strand (participates in β ladder)trans-81.6122.5168.2-173.9171.4-84.8-166.91.7110H106 N107 E109 T520 K521 C522H106-R384 PolarHBondContact CD2-NH1 2.98Å; H106-R384 PolarHBondContact CE1-NH1 2.99Å; H106-R384 PolarHBondContact CE1-NH2 2.85Å; H106-R384 PolarHBondContact ND1-NH2 3.49Å; H106-R384 PolarHBondContact NE2-NH1 3.13Å; H106-R384 PolarHBondContact O-NE 2.98Å; H106-R384 VanDerWaalsContact O-NE 3.08Å; H106-R384 PolarHBondContact O-NH1 3.18Å; H106-R384 PolarHBondContact O-NH2 3.2Å; N107-R384 WeakPolarHBondContact O-CB 3.44Å; E109-R384 PolarHBondContact O-NH2 3.11Å; R384-T520 VanDerWaalsContact CD-OG1 3.29Å; R384-T520 WeakPolarHBondContact CD-OG1 3.5Å; R384-T520 VanDerWaalsContact CG-CB 3.46Å; R384-T520 HydrophobicContact CG-CG2 4.01Å; R384-K521 WeakPolarHBondContact CA-O 3.2Å; R384-C522 PolarHBondContact NE-SG 3.01Å
385V81.3Confident77.5Confident61 Ų6189 Ų8937%0.3742%0.423SS..EExtended strand (participates in β ladder)trans-119.3142.4-178.8-175.50000109.1K383 T520 K521 I523K383-V385 HydrophobicContact CD-CG2 4.35Å; K383-V385 HydrophobicContact CG-CG2 4.14Å; V385-T520 CarbonylContact O-C 3.47Å; V385-T520 VanDerWaalsContact O-CA 3.24Å; V385-T520 WeakPolarHBondContact O-CA 3.42Å; V385-T520 WeakPolarHBondContact O-CB 3.35Å; V385-K521 PolarHBondContact N-O 2.94Å; V385-K521 PolarHBondContact O-N 3.48Å; V385-I523 HydrophobicContact CB-CD1 4.17Å; V385-I523 HydrophobicContact CG2-CD1 3.83Å; V385-I523 HydrophobicContact CG2-CG1 4.43Å
386K80.1Confident77.3Confident126 Ų12687.6 Ų87.655%0.54842%0.42SS..EExtended strand (participates in β ladder)trans-65.6137176.1-66.2176.5174.8-174.10109.9V518 T520K386-V518 HydrophobicContact CB-CG1 4.03Å; K386-V518 HydrophobicContact CD-CG1 3.99Å; K386-V518 HydrophobicContact CG-CG1 3.86Å; K386-T520 HydrophobicContact CG-CG2 4.15Å
387L75.7Confident77Confident19 Ų1988.6 Ų88.610%0.09942%0.422CS..  trans-70.9130.9174.2-66.9179.3000109.5E391 L392 Y395 P519 K521L387-E391 HydrophobicContact CD2-CB 4.11Å; L387-L392 HydrophobicContact CB-CB 4.29Å; L387-Y395 HydrophobicContact CD1-CD2 4.3Å; L387-Y395 HydrophobicContact CD1-CG 4.2Å; L387-P519 HydrophobicContact CB-CG 4.34Å; L387-P519 WeakPolarHBondContact CB-O 3.45Å; L387-P519 HydrophobicContact CD1-CB 3.82Å; L387-P519 HydrophobicContact CD1-CG 4.09Å; L387-P519 HydrophobicContact CG-CB 4.49Å; L387-P519 WeakPolarHBondContact CG-O 3.23Å; L387-P519 PolarHBondContact N-O 3.14Å; L387-K521 HydrophobicContact CD2-CB 3.66Å; L387-K521 HydrophobicContact CD2-CD 4.36Å
388E72.3Confident76.6Confident162 Ų16294.3 Ų94.376%0.75745%0.446SS*.  trans-127.7145.1177.5-66.2-176.4178.200110.7
389G72.8Confident76.3Confident53 Ų5389.8 Ų89.855%0.54643%0.425SS..THydrogen-bonded Turntrans73.9-133.3175.300000114.4E391 L392 E393G389-E391 VanDerWaalsContact C-N 3.33Å; G389-E391 PolarHBondContact O-N 3.37Å; G389-L392 WeakPolarHBondContact O-CB 3.48Å; G389-L392 PolarHBondContact O-N 3.36Å; G389-E393 PolarHBondContact O-N 2.86Å
390K68.9Low75.9Confident164 Ų16496.5 Ų96.571%0.71345%0.454SS*.Hα-helixtrans-65.6-31.3-172.3-67.1-173.9177.1-175.40114L392 E393 E394K390-L392 VanDerWaalsContact C-N 3.29Å; K390-L392 PolarHBondContact O-N 3.23Å; K390-E393 PolarHBondContact O-N 2.91Å; K390-E394 PolarHBondContact O-N 2.96Å; K390-E394 VanDerWaalsContact O-N 3.07Å
391E68.6Low75.6Confident100 Ų10099 Ų9947%0.46747%0.468SS..Hα-helixtrans-68.2-31.4178.9-62-170.4159.300111.7L387 G389 Y395 K521L387-E391 HydrophobicContact CD2-CB 4.11Å; G389-E391 VanDerWaalsContact C-N 3.33Å; G389-E391 PolarHBondContact O-N 3.37Å; E391-Y395 WeakPolarHBondContact O-CB 3.39Å; E391-Y395 PolarHBondContact O-N 3.38Å; E391-K521 IonicContact OE1-NZ 3.99Å
392L72.2Confident75.6Confident53 Ų53104.6 Ų104.628%0.27749%0.491SS..Hα-helixtrans-68.6-42173.817663.3000111.3L387 G389 K390 Y395 L396 P519L387-L392 HydrophobicContact CB-CB 4.29Å; G389-L392 WeakPolarHBondContact O-CB 3.48Å; G389-L392 PolarHBondContact O-N 3.36Å; K390-L392 VanDerWaalsContact C-N 3.29Å; K390-L392 PolarHBondContact O-N 3.23Å; L392-Y395 PolarHBondContact O-N 2.93Å; L392-L396 HydrophobicContact CD1-CD1 4.09Å; L392-L396 HydrophobicContact CD1-CG 4.23Å; L392-L396 HydrophobicContact CG-CD1 4.02Å; L392-L396 WeakPolarHBondContact O-CB 3.44Å; L392-L396 VanDerWaalsContact O-CG 3.27Å; L392-L396 WeakPolarHBondContact O-CG 3.26Å; L392-L396 PolarHBondContact O-N 3.25Å; L392-P519 HydrophobicContact CD1-CG 3.14Å
393E67.1Low75.2Confident126 Ų126106.5 Ų106.559%0.58950%0.502SS*.Hα-helixtrans-61.9-46.7176.8-68.1177.6170.400111.3G389 K390 Y395 L396 E397G389-E393 PolarHBondContact O-N 2.86Å; K390-E393 PolarHBondContact O-N 2.91Å; E393-Y395 VanDerWaalsContact C-N 3.35Å; E393-Y395 PolarHBondContact O-N 3.45Å; E393-L396 PolarHBondContact O-N 2.86Å; E393-E397 WeakPolarHBondContact O-CG 3.19Å; E393-E397 PolarHBondContact O-N 3.11Å
394E74.6Confident75.2Confident120 Ų120105 Ų10556%0.56150%0.497SS*.Hα-helixtrans-64-37.3176.6-72.7-177.6-171.100112.9K390 K398K390-E394 PolarHBondContact O-N 2.96Å; K390-E394 VanDerWaalsContact O-N 3.07Å; E394-K398 PolarHBondContact O-N 3.01Å
395Y72.4Confident75Confident101 Ų101104.9 Ų104.940%0.39651%0.509SS..Hα-helixtrans-64.8-47.7175179.5-87.2000111.2L387 E391 L392 E393 E397 K398 E399 P519L387-Y395 HydrophobicContact CD1-CD2 4.3Å; L387-Y395 HydrophobicContact CD1-CG 4.2Å; E391-Y395 WeakPolarHBondContact O-CB 3.39Å; E391-Y395 PolarHBondContact O-N 3.38Å; L392-Y395 PolarHBondContact O-N 2.93Å; E393-Y395 VanDerWaalsContact C-N 3.35Å; E393-Y395 PolarHBondContact O-N 3.45Å; Y395-E397 VanDerWaalsContact C-N 3.31Å; Y395-E397 PolarHBondContact O-N 3.25Å; Y395-K398 PolarHBondContact O-N 3.28Å; Y395-E399 HydrophobicContact CD1-CG 4.25Å; Y395-E399 HydrophobicContact CE1-CB 4.49Å; Y395-E399 HydrophobicContact CE1-CG 3.6Å; Y395-E399 WeakPolarHBondContact O-CB 3.31Å; Y395-E399 PolarHBondContact O-N 2.97Å; Y395-P519 HydrophobicContact CD1-CB 3.35Å; Y395-P519 HydrophobicContact CD1-CG 3.63Å; Y395-P519 HydrophobicContact CD2-CB 4.12Å; Y395-P519 HydrophobicContact CE1-CB 3.32Å; Y395-P519 HydrophobicContact CE1-CG 3.96Å; Y395-P519 HydrophobicContact CE2-CB 4.08Å; Y395-P519 HydrophobicContact CG-CB 3.77Å; Y395-P519 HydrophobicContact CG-CG 4.2Å
396L73.9Confident74.9Confident89 Ų89104.5 Ų104.547%0.46651%0.512SS..Hα-helixtrans-63.5-35178.9-72170.3000112.4L392 E393 K400L392-L396 HydrophobicContact CD1-CD1 4.09Å; L392-L396 HydrophobicContact CD1-CG 4.23Å; L392-L396 HydrophobicContact CG-CD1 4.02Å; L392-L396 WeakPolarHBondContact O-CB 3.44Å; L392-L396 VanDerWaalsContact O-CG 3.27Å; L392-L396 WeakPolarHBondContact O-CG 3.26Å; L392-L396 PolarHBondContact O-N 3.25Å; E393-L396 PolarHBondContact O-N 2.86Å; L396-K400 WeakPolarHBondContact O-CB 3.4Å; L396-K400 WeakPolarHBondContact O-CG 3.34Å; L396-K400 PolarHBondContact O-N 3.28Å
397E74.6Confident74.8Confident132 Ų132104.8 Ų104.862%0.61751%0.513SS*.Hα-helixtrans-66.5-43.5172.4-76.9-174.617200112.1E393 Y395 K400 L401E393-E397 WeakPolarHBondContact O-CG 3.19Å; E393-E397 PolarHBondContact O-N 3.11Å; Y395-E397 VanDerWaalsContact C-N 3.31Å; Y395-E397 PolarHBondContact O-N 3.25Å; E397-K400 PolarHBondContact O-N 2.77Å; E397-L401 WeakPolarHBondContact O-CG 3.04Å; E397-L401 PolarHBondContact O-N 2.86Å
398K76.6Confident74.9Confident139 Ų139110.6 Ų110.660%0.60454%0.538SS*.Hα-helixtrans-64.9-39.2174.9-80.4178.2178.7169.80112.7E394 Y395 L401 K402E394-K398 PolarHBondContact O-N 3.01Å; Y395-K398 PolarHBondContact O-N 3.28Å; K398-L401 PolarHBondContact O-N 2.82Å; K398-K402 WeakPolarHBondContact O-CB 3.27Å; K398-K402 PolarHBondContact O-N 2.78Å
399E77Confident75.1Confident53 Ų53107.9 Ų107.925%0.24853%0.528CS..Hα-helixtrans-61.6-46.3173.9-109.3-81.9118.700111.1Y395 L401 K402 K403Y395-E399 HydrophobicContact CD1-CG 4.25Å; Y395-E399 HydrophobicContact CE1-CB 4.49Å; Y395-E399 HydrophobicContact CE1-CG 3.6Å; Y395-E399 WeakPolarHBondContact O-CB 3.31Å; Y395-E399 PolarHBondContact O-N 2.97Å; E399-L401 VanDerWaalsContact C-N 3.35Å; E399-L401 PolarHBondContact O-N 2.86Å; E399-K402 PolarHBondContact O-N 2.93Å; E399-K403 WeakPolarHBondContact O-CB 3.36Å; E399-K403 PolarHBondContact O-N 2.9Å; E399-K403 VanDerWaalsContact OE2-CE 3.26Å; E399-K403 WeakPolarHBondContact OE2-CE 3.42Å; E399-K403 IonicContact OE2-NZ 2.72Å; E399-K403 PolarHBondContact OE2-NZ 3.43Å
400K77Confident75.2Confident146 Ų146111.6 Ų111.664%0.63553%0.531SS*.Hα-helixtrans-59-45174.1-81.9-179.7178.1177.80111.9L396 E397 K402 K403 E404L396-K400 WeakPolarHBondContact O-CB 3.4Å; L396-K400 WeakPolarHBondContact O-CG 3.34Å; L396-K400 PolarHBondContact O-N 3.28Å; E397-K400 PolarHBondContact O-N 2.77Å; K400-K402 PolarHBondContact O-N 3.34Å; K400-K403 PolarHBondContact O-N 2.8Å; K400-E404 WeakPolarHBondContact O-CB 3.15Å; K400-E404 WeakPolarHBondContact O-CG 3.45Å; K400-E404 PolarHBondContact O-N 3.28Å
401L78.8Confident75.4Confident113 Ų113109 Ų10959%0.59252%0.521SS*.Hα-helixtrans-63.5-39.7176.5-73.5165.6000112.2E397 K398 E399 A405E397-L401 WeakPolarHBondContact O-CG 3.04Å; E397-L401 PolarHBondContact O-N 2.86Å; K398-L401 PolarHBondContact O-N 2.82Å; E399-L401 VanDerWaalsContact C-N 3.35Å; E399-L401 PolarHBondContact O-N 2.86Å; L401-A405 VanDerWaalsContact O-CB 3.28Å; L401-A405 WeakPolarHBondContact O-CB 3.32Å; L401-A405 PolarHBondContact O-N 2.9Å
402K79Confident75.5Confident154 Ų154106.6 Ų106.667%0.6752%0.516SS*.Hα-helixtrans-65.4-45.2174.5-85.6-173.9174.6-176.10112K398 E399 K400 A405 A406K398-K402 WeakPolarHBondContact O-CB 3.27Å; K398-K402 PolarHBondContact O-N 2.78Å; E399-K402 PolarHBondContact O-N 2.93Å; K400-K402 PolarHBondContact O-N 3.34Å; K402-A405 PolarHBondContact O-N 3.03Å; K402-A406 WeakPolarHBondContact O-CB 3.45Å; K402-A406 PolarHBondContact O-N 3.15Å
403K76Confident75.2Confident122 Ų122110.6 Ų110.653%0.5353%0.531SS..Hα-helixtrans-63.2-41.1175.9-80.7173.8170151.90111.5E399 K400 A406 K407E399-K403 WeakPolarHBondContact O-CB 3.36Å; E399-K403 PolarHBondContact O-N 2.9Å; E399-K403 VanDerWaalsContact OE2-CE 3.26Å; E399-K403 WeakPolarHBondContact OE2-CE 3.42Å; E399-K403 IonicContact OE2-NZ 2.72Å; E399-K403 PolarHBondContact OE2-NZ 3.43Å; K400-K403 PolarHBondContact O-N 2.8Å; K403-A406 PolarHBondContact O-N 3.44Å; K403-K407 VanDerWaalsContact O-CB 3.23Å; K403-K407 WeakPolarHBondContact O-CB 3.5Å; K403-K407 PolarHBondContact O-N 2.87Å
404E78.4Confident75Confident113 Ų113111.1 Ų111.153%0.52853%0.533SS..Hα-helixtrans-65-38.5173.3-77.1-177.7-18000112.4K400 K408K400-E404 WeakPolarHBondContact O-CB 3.15Å; K400-E404 WeakPolarHBondContact O-CG 3.45Å; K400-E404 PolarHBondContact O-N 3.28Å; E404-K408 WeakPolarHBondContact O-CB 3.26Å; E404-K408 VanDerWaalsContact O-CG 3.31Å; E404-K408 WeakPolarHBondContact O-CG 3.42Å; E404-K408 PolarHBondContact O-N 2.73Å
405A78.7Confident74.2Confident57 Ų57108.2 Ų108.247%0.47153%0.53SS..Hα-helixtrans-69.2-42.7175.900000112.4L401 K402 K408 L409L401-A405 VanDerWaalsContact O-CB 3.28Å; L401-A405 WeakPolarHBondContact O-CB 3.32Å; L401-A405 PolarHBondContact O-N 2.9Å; K402-A405 PolarHBondContact O-N 3.03Å; A405-K408 PolarHBondContact O-N 3.11Å; A405-L409 WeakPolarHBondContact O-CB 3.45Å; A405-L409 PolarHBondContact O-N 3.16Å
406A77.6Confident73.4Confident53 Ų53109.4 Ų109.444%0.43854%0.543SS..Hα-helixtrans-62.6-44175.300000111K402 K403 K408 L409 E410K402-A406 WeakPolarHBondContact O-CB 3.45Å; K402-A406 PolarHBondContact O-N 3.15Å; K403-A406 PolarHBondContact O-N 3.44Å; A406-K408 VanDerWaalsContact C-N 3.34Å; A406-K408 PolarHBondContact O-N 3.43Å; A406-L409 WeakPolarHBondContact O-CB 3.07Å; A406-L409 PolarHBondContact O-N 3.41Å; A406-L409 VanDerWaalsContact O-N 3.11Å; A406-E410 PolarHBondContact O-N 3.12Å
407K78.1Confident72.3Confident132 Ų132111 Ų11157%0.57455%0.551SS**Hα-helixtrans-64.7-36.8175.8-163.4172.6-172.4173.70112.4K403 Q411K403-K407 VanDerWaalsContact O-CB 3.23Å; K403-K407 WeakPolarHBondContact O-CB 3.5Å; K403-K407 PolarHBondContact O-N 2.87Å; K407-Q411 WeakPolarHBondContact O-CB 3.24Å; K407-Q411 VanDerWaalsContact O-CG 3.23Å; K407-Q411 WeakPolarHBondContact O-CG 3.37Å; K407-Q411 PolarHBondContact O-N 3.06Å
408K78.9Confident71Confident141 Ų141111.6 Ų111.661%0.61356%0.558SS**Hα-helixtrans-66.5-35.9171.4-79.5177.8-178.2175.80112.4E404 A405 A406 S412E404-K408 WeakPolarHBondContact O-CB 3.26Å; E404-K408 VanDerWaalsContact O-CG 3.31Å; E404-K408 WeakPolarHBondContact O-CG 3.42Å; E404-K408 PolarHBondContact O-N 2.73Å; A405-K408 PolarHBondContact O-N 3.11Å; A406-K408 VanDerWaalsContact C-N 3.34Å; A406-K408 PolarHBondContact O-N 3.43Å; K408-S412 PolarHBondContact O-N 3.13Å; K408-S412 PolarHBondContact O-OG 3Å
409L76.9Confident69.4Low105 Ų105109.9 Ų109.955%0.5556%0.564SS.*Hα-helixtrans-70.5-39.3177.3-165.678000111.7A405 A406 S412 K413A405-L409 WeakPolarHBondContact O-CB 3.45Å; A405-L409 PolarHBondContact O-N 3.16Å; A406-L409 WeakPolarHBondContact O-CB 3.07Å; A406-L409 PolarHBondContact O-N 3.41Å; A406-L409 VanDerWaalsContact O-N 3.11Å; L409-S412 WeakPolarHBondContact CA-OG 2.99Å; L409-S412 PolarHBondContact O-N 3.16Å; L409-S412 PolarHBondContact O-OG 3.36Å; L409-K413 WeakPolarHBondContact O-CG 3.47Å; L409-K413 PolarHBondContact O-N 3.28Å
410E74.7Confident68Low130 Ų130111.8 Ų111.861%0.60758%0.583SS**Hα-helixtrans-64.4-46171-79.1180159.600111.3A406 S412 K413 E414A406-E410 PolarHBondContact O-N 3.12Å; E410-S412 VanDerWaalsContact C-N 3.29Å; E410-S412 PolarHBondContact O-N 3.33Å; E410-K413 WeakPolarHBondContact O-CB 3.33Å; E410-K413 PolarHBondContact O-N 3.32Å; E410-E414 PolarHBondContact O-N 3.02Å
411Q71.7Confident66.3Low109 Ų109111.9 Ų111.951%0.50959%0.591SS.*Hα-helixtrans-61.4-34.9175.5-76.7176.6-10.900112.8K407 A415K407-Q411 WeakPolarHBondContact O-CB 3.24Å; K407-Q411 VanDerWaalsContact O-CG 3.23Å; K407-Q411 WeakPolarHBondContact O-CG 3.37Å; K407-Q411 PolarHBondContact O-N 3.06Å; Q411-A415 WeakPolarHBondContact O-CB 3.28Å; Q411-A415 PolarHBondContact O-N 2.87Å
412S70.4Confident64.3Low51 Ų51114.5 Ų114.536%0.35760%0.6SS.*Hα-helixtrans-70.3-35.3172.657.10000112.7K408 L409 E410 A415 D416K408-S412 PolarHBondContact O-N 3.13Å; K408-S412 PolarHBondContact O-OG 3Å; L409-S412 WeakPolarHBondContact CA-OG 2.99Å; L409-S412 PolarHBondContact O-N 3.16Å; L409-S412 PolarHBondContact O-OG 3.36Å; E410-S412 VanDerWaalsContact C-N 3.29Å; E410-S412 PolarHBondContact O-N 3.33Å; S412-A415 PolarHBondContact O-N 2.84Å; S412-D416 PolarHBondContact O-N 3.07Å
413K67.1Low62.4Low136 Ų136112.1 Ų112.159%0.59160%0.603SS**Hα-helixtrans-69.9-35.8175.7-78.4-179.9176-176.50112.2L409 E410 I417L409-K413 WeakPolarHBondContact O-CG 3.47Å; L409-K413 PolarHBondContact O-N 3.28Å; E410-K413 WeakPolarHBondContact O-CB 3.33Å; E410-K413 PolarHBondContact O-N 3.32Å; K413-I417 WeakPolarHBondContact O-CD1 3.32Å; K413-I417 WeakPolarHBondContact O-CG1 3.15Å; K413-I417 PolarHBondContact O-N 3.38Å
414E62.1Low60.8Low137 Ų137114.1 Ų114.164%0.6462%0.619SS**Hα-helixtrans-68.7-40172.9-74.5179.916000111.5E410 D416 I417 D418E410-E414 PolarHBondContact O-N 3.02Å; E414-D416 PolarHBondContact O-N 2.64Å; E414-I417 PolarHBondContact O-N 3.35Å; E414-D418 PolarHBondContact O-N 2.91Å
415A57.8Low58.7Low60 Ų60115.7 Ų115.750%0.49663%0.629SS.*Hα-helixtrans-67.7-30.6176.300000113.7Q411 S412 I417 S419Q411-A415 WeakPolarHBondContact O-CB 3.28Å; Q411-A415 PolarHBondContact O-N 2.87Å; S412-A415 PolarHBondContact O-N 2.84Å; A415-I417 VanDerWaalsContact C-N 3.33Å; A415-S419 PolarHBondContact O-N 2.82Å
416D55.4Low56.6Low125 Ų125122.2 Ų122.267%0.66865%0.65SS**Hα-helixtrans-73.6-22.9174.6-80.1-23.5000112.8S412 E414S412-D416 PolarHBondContact O-N 3.07Å; E414-D416 PolarHBondContact O-N 2.64Å
417I52Low54.6Low124 Ų124128.3 Ų128.364%0.63667%0.67SS**Hα-helixtrans-79.3-40.1174.4-67.5166.2000110.4K413 E414 A415 S419 S420K413-I417 WeakPolarHBondContact O-CD1 3.32Å; K413-I417 WeakPolarHBondContact O-CG1 3.15Å; K413-I417 PolarHBondContact O-N 3.38Å; E414-I417 PolarHBondContact O-N 3.35Å; A415-I417 VanDerWaalsContact C-N 3.33Å; I417-S419 PolarHBondContact O-N 2.91Å; I417-S420 PolarHBondContact O-N 3.28Å; I417-S420 PolarHBondContact O-OG 3.44Å
418D46.2Very low52.5Low144 Ų144129 Ų12977%0.7768%0.68SS**THydrogen-bonded Turntrans-72.8-9.7178.4-144.123.6000113.4E414E414-D418 PolarHBondContact O-N 2.91Å
419S44.2Very low50.5Low102 Ų102128.9 Ų128.971%0.71368%0.684SS**THydrogen-bonded Turntrans-87.1-1175.5-179.10000113.7A415 I417A415-S419 PolarHBondContact O-N 2.82Å; I417-S419 PolarHBondContact O-N 2.91Å
420S46.4Very low48.3Very low94 Ų94131.2 Ų131.266%0.65770%0.697SS**SBendtrans-114.910.3-172.565.20000116.2I417I417-S420 PolarHBondContact O-N 3.28Å; I417-S420 PolarHBondContact O-OG 3.44Å
421D41.9Very low46.2Very low148 Ų148133.5 Ų133.579%0.79171%0.708SS**  trans-139.252.6-178.1-149.717.8000113.9
422E37.1Very low44.8Very low168 Ų168133.2 Ų133.279%0.78572%0.716SS**  trans-134.476.9167.3-85.8-96160.300109.7
423S39.3Very low42.8Very low104 Ų104136 Ų13673%0.72774%0.735SS**  trans-137.591152.165.10000108.6
424D41.9Very low41Very low163 Ų163133.6 Ų133.687%0.87274%0.741SS**  trans-177.694.8141.1-87.6-17000109.1
425I33.6Very low39.4Very low146 Ų146135.2 Ų135.275%0.74975%0.748SS**  trans-116.5106.1164.5-66.4174000107.2
426E35.4Very low38.2Very low194 Ų194140.6 Ų140.691%0.90776%0.76SS**  trans-86.6147.1152.5-75.2-164.5156.500109.8
427E36.4Very low36.8Very low182 Ų182140.4 Ų140.485%0.8576%0.763SS**  trans-65.9136.9-173.5-62.1174.3139.100113.5
428D33.1Very low36.1Very low146 Ų146142.9 Ų142.978%0.78177%0.77SS**  -175.7117.1122.7-101.4-24.4000113.9
429I36.7Very low35.3Very low139 Ų139143.5 Ų143.571%0.71377%0.768SS**  trans23.6109.6136.2-56.9169.2000118.1
430D31.7Very low34.8Very low154 Ų154145.1 Ų145.182%0.82477%0.768SS**  167.9141.290.2-120.4-19.3000112.5
431Q29.6Very low34.2Very low178 Ų178147.2 Ų147.283%0.83277%0.771SS**  trans-79.8177.6171.7-101-177.938.200111.2
432P43.6Very low33.5Very low103 Ų103148.2 Ų148.267%0.66977%0.773SS**  cis-141.51741.231.3-8000116.8
433S27.9Very low33.6Very low109 Ų109149.1 Ų149.176%0.76278%0.78SS**  trans100.4122.3130.270.50000122.1
434A29Very low33.2Very low86 Ų86154.6 Ų154.671%0.71179%0.791SS**  94.195.2127.800000119.2
435H28.5Very low32.9Very low171 Ų171150.2 Ų150.279%0.79278%0.784SS**  47.3125.8112.3-88.1-41000120.4
436K31.5Very low33Very low172 Ų172153.3 Ų153.375%0.74880%0.795SS**  103.2125.4124.9-83.8179.8-1791790118.7
437T27.2Very low32.8Very low121 Ų121147.8 Ų147.874%0.74279%0.791SS**  trans85.3113.3131.349.10000120.6
438K37.6Very low32.5Very low177 Ų177144 Ų14477%0.7778%0.784SS**  6.6130.3125.5-71.2179.7169.1178.80116.4
439H29.9Very low32.6Very low157 Ų157147 Ų14773%0.72778%0.784SS**  169.5132.9101.4-91.7-71.9000111.7
440D33.5Very low32.6Very low136 Ų136149.6 Ų149.673%0.72779%0.791SS**  trans28.4132.4131.3-79.2-31.7000121.4
441L32.2Very low32.6Very low137 Ų137145.7 Ų145.772%0.71779%0.787SS**  158.3134.4108.2-125.581.8000114.4
442M27.9Very low32.8Very low170 Ų170142 Ų14284%0.83778%0.78SS**  trans71.2132.3135.3-83177.3-16200125.7
443M39.4Very low32.3Very low187 Ų187145.4 Ų145.492%0.92179%0.785SS**  trans-75.5149.4159.5-87.3-168.3174.200114.8
444K31.6Very low32.5Very low219 Ų219148.7 Ų148.795%0.95279%0.786SS**  trans172.7149.2138.5-103.4179175.8178.90106.8
445G35.8Very low33Very low71 Ų71153.4 Ų153.473%0.73279%0.79SS**  cis152136.76.400000109.2
446E34.4Very low33.3Very low210 Ų210154.7 Ų154.798%0.98180%0.797SS**  trans79132.1153.6-70.2-165.2128.200125.4
447G31.1Very low33.5Very low79 Ų79150.9 Ų150.981%0.81480%0.798SS**  trans113.4142.1131.200000115.8
448S30.9Very low34Very low103 Ų103155.5 Ų155.572%0.7281%0.807SS**  cis177.9157.3-1.5-164.70000108.5
449R35.6Very low34.1Very low207 Ų207156.9 Ų156.978%0.78181%0.813SS**  trans92.7120.7146-76.8157.6-173.7-159.93.7123.8
450K35.3Very low34.3Very low194 Ų194154 Ų15484%0.84381%0.811SS**  59.3140.3123.4-63.3178.9177.9-175.30119
451G31.7Very low34.6Very low72 Ų72157.8 Ų157.874%0.74282%0.816SS**  cis156.4137.2-000000111.6
452S34.6Very low34.8Very low100 Ų100157.4 Ų157.470%0.69982%0.822SS**  trans68.4131145.5-156.70000122.5
453F32.2Very low35.4Very low175 Ų175157.7 Ų157.777%0.76882%0.824SS**  161.5124.7112.7-97.8-101000114.6
454F32.5Very low35.6Very low179 Ų179158.3 Ų158.379%0.78582%0.822SS**  trans87.9119.1150.3-92.4-109.4000126.7
455K38.9Very low36.1Very low184 Ų184153.6 Ų153.680%0.881%0.813SS**  trans-49.9147.9165.8-61.7166.6172.4176.60116.8
456Q35.2Very low36.8Very low199 Ų199154.2 Ų154.293%0.9381%0.812SS**  -179.5148.496.8-112.2178.5-6.100113.2
457A37.1Very low37.7Very low92 Ų92149.6 Ų149.676%0.7680%0.8SS**  trans-87.9156.4-169.800000114.5
458K36.3Very low38.7Very low217 Ų217154.9 Ų154.994%0.94380%0.803SS**  trans-152.6133.8134.3-98.3-178.5-169.9-179.70110.7
459K39.2Very low40Very low206 Ų206156.8 Ų156.890%0.89680%0.801SS**  trans-73.8146179.4-68.7170.8168.4-1800111.7
460S34Very low41Very low97 Ų97158.5 Ų158.568%0.67881%0.807SS**  -171.7116122.464.50000112.8
461Y41Very low42.3Very low215 Ų215153.8 Ų153.884%0.84379%0.79SS**  trans68.8128.8163.7-51.6-74.7000120M463Y461-M463 PolarHBondContact O-N 2.95Å
462P36.6Very low43.9Very low129 Ų129158.1 Ų158.184%0.83879%0.789SS**  trans-80.396.9177.832.1-29.9000110.3
463M40.6Very low45.1Very low176 Ų176162.2 Ų162.287%0.86779%0.789SS**  trans-87.8131.2145.8-69.9-153-66.100106.5Y461Y461-M463 PolarHBondContact O-N 2.95Å
464F42.9Very low47Very low200 Ų200158.1 Ų158.188%0.87778%0.775SS**  trans-53.4130.4174.3-84.7-91.1000108.9A466F464-A466 PolarHBondContact O-N 2.88Å
465P43.3Very low48.3Very low120 Ų120158.8 Ų158.878%0.77978%0.781SS**  trans-66.6106.9172.7-3.816.6000108P467P465-P467 WeakPolarHBondContact O-CD 3.34Å
466A48.8Very low49.3Very low85 Ų85160.9 Ų160.970%0.70279%0.785SS**  trans-80.7114.3158.400000106.3F464 E468F464-A466 PolarHBondContact O-N 2.88Å; A466-E468 PolarHBondContact O-N 2.77Å; A466-E468 VanDerWaalsContact O-N 3.09Å
467P54.2Low51Low112 Ų112152.6 Ų152.673%0.72775%0.753SS**  trans-63.8111.2169.225.6-30.1000108.1P465 E469P465-P467 WeakPolarHBondContact O-CD 3.34Å; P467-E469 PolarHBondContact O-N 3.37Å
468E51.1Low52.6Low190 Ų190153.2 Ų153.289%0.88874%0.74SS**  trans-73.2104163.9-78.6-178.6171.700107.7A466A466-E468 PolarHBondContact O-N 2.77Å; A466-E468 VanDerWaalsContact O-N 3.09Å
469E59.4Low53.9Low143 Ų143146.8 Ų146.867%0.66872%0.715SS**  trans-71.3129.6171.6-69.5-158.4172.900110.1P467 I471 K481P467-E469 PolarHBondContact O-N 3.37Å; E469-I471 PolarHBondContact O-N 2.68Å; E469-K481 IonicContact OE2-NZ 3.52Å; E469-K481 PolarHBondContact OE2-NZ 3.18Å
470R55.3Low55.1Low244 Ų244142.6 Ų142.692%0.92170%0.702SS**  trans-79.1106.4174-71.5-172176.8-166.7-1.1109.5
471I64.4Low56.4Low94 Ų94142.2 Ų142.248%0.48269%0.688SS.*  trans-66.5135.5175.2-61.7163.7000110.1E469 E478E469-I471 PolarHBondContact O-N 2.68Å; I471-E478 WeakPolarHBondContact CD1-OE1 3.43Å; I471-E478 HydrophobicContact CG2-CB 4.36Å; I471-E478 HydrophobicContact CG2-CG 3.45Å; I471-E478 VanDerWaalsContact CG2-CG 3.45Å; I471-E478 WeakPolarHBondContact CG2-OE1 3.31Å
472K65Low57.2Low163 Ų163136.8 Ų136.871%0.70968%0.679SS**  trans-99138.3173.3-68.8-178.3-178.4174.60110I479K472-I479 HydrophobicContact CB-CD1 4.12Å; K472-I479 PolarHBondContact O-N 2.78Å; K472-I479 VanDerWaalsContact O-N 3.16Å
473W59.9Low58.2Low187 Ų187137.4 Ų137.471%0.70867%0.671SS**EExtended strand (participates in β ladder)trans-115.5145-174.9-7058000110.4G477W473-G477 WeakPolarHBondContact CA-O 3.34Å
474D70.9Confident59.1Low89 Ų89134.6 Ų134.648%0.47666%0.659SS.*EExtended strand (participates in β ladder)trans-118.7-175.5167.572.320.3000111.8Y476 G477 I479D474-Y476 PolarHBondContact O-N 2.87Å; D474-Y476 PolarHBondContact OD1-N 2.84Å; D474-G477 PolarHBondContact N-O 3Å; D474-G477 PolarHBondContact O-N 2.82Å; D474-G477 PolarHBondContact OD1-N 3.05Å; D474-I479 HydrophobicContact CB-CD1 4.2Å; D474-I479 HydrophobicContact CB-CG1 4.01Å
475E60.6Low59.6Low192 Ų192132.4 Ų132.490%0.89765%0.649SS**THydrogen-bonded Turntrans-69.4-10-175.8-67.3-174.3169.700114.3
476Y59.9Low60Low228 Ų228131.9 Ų131.989%0.89464%0.64SS**THydrogen-bonded Turntrans-114-5.9177.7-72.5-85.7000113.5D474D474-Y476 PolarHBondContact O-N 2.87Å; D474-Y476 PolarHBondContact OD1-N 2.84Å
477G70Confident60.2Low25 Ų25132.1 Ų132.126%0.25863%0.632SS.*EExtended strand (participates in β ladder)trans147.1-153.6169.400000114.2W473 D474W473-G477 WeakPolarHBondContact CA-O 3.34Å; D474-G477 PolarHBondContact N-O 3Å; D474-G477 PolarHBondContact O-N 2.82Å; D474-G477 PolarHBondContact OD1-N 3.05Å
478E70.9Confident59.8Low105 Ų105131.9 Ų131.949%0.49163%0.631SS.*EExtended strand (participates in β ladder)trans-68.6130.7171.9174.1166.3-168.500110.1I471 I480I471-E478 WeakPolarHBondContact CD1-OE1 3.43Å; I471-E478 HydrophobicContact CG2-CB 4.36Å; I471-E478 HydrophobicContact CG2-CG 3.45Å; I471-E478 VanDerWaalsContact CG2-CG 3.45Å; I471-E478 WeakPolarHBondContact CG2-OE1 3.31Å; E478-I480 PolarHBondContact O-N 2.78Å
479I64.3Low59.6Low83 Ų83130.7 Ų130.743%0.42663%0.625SS.*  trans-71.4105.6178.6-61.8170.1000108.2K472 D474 K481K472-I479 HydrophobicContact CB-CD1 4.12Å; K472-I479 PolarHBondContact O-N 2.78Å; K472-I479 VanDerWaalsContact O-N 3.16Å; D474-I479 HydrophobicContact CB-CD1 4.2Å; D474-I479 HydrophobicContact CB-CG1 4.01Å; I479-K481 PolarHBondContact O-N 2.99Å
480I63.1Low58.9Low118 Ų118130.9 Ų130.961%0.60563%0.63SS**  trans-68.3116.1178.9-57.8176.9000108.9E478 P482 F485E478-I480 PolarHBondContact O-N 2.78Å; I480-P482 WeakPolarHBondContact O-CD 3.44Å; I480-F485 HydrophobicContact CG2-CD2 3.78Å; I480-F485 HydrophobicContact CG2-CE2 3.51Å; I480-F485 HydrophobicContact CG2-CZ 4.36Å
481K62.1Low58.2Low89 Ų89125.5 Ų125.539%0.38762%0.615SS.*  trans-76.3119.6166.3-65.3-179-166.1159.60108E469 I479 E483 D484E469-K481 IonicContact OE2-NZ 3.52Å; E469-K481 PolarHBondContact OE2-NZ 3.18Å; I479-K481 PolarHBondContact O-N 2.99Å; K481-E483 HydrophobicContact CB-CG 4.42Å; K481-E483 PolarHBondContact O-N 2.79Å; K481-D484 PolarHBondContact O-N 2.78Å
482P57.9Low56.9Low101 Ų101123.4 Ų123.466%0.65661%0.612SS**G310 helixtrans-60-21178.7-22.733.8000113.5I480 D484 F485I480-P482 WeakPolarHBondContact O-CD 3.44Å; P482-D484 VanDerWaalsContact C-N 3.34Å; P482-F485 PolarHBondContact O-N 2.64Å
483E58.2Low56.3Low142 Ų142120.1 Ų120.166%0.66461%0.605SS**G310 helixtrans-65.8-33.3-179.2-33.8-179.9-127.400112.6K481 F485K481-E483 HydrophobicContact CB-CG 4.42Å; K481-E483 PolarHBondContact O-N 2.79Å; E483-F485 VanDerWaalsContact C-N 3.26Å; E483-F485 PolarHBondContact O-N 3.39Å
484D59Low55.4Low116 Ų116119 Ų11962%0.6261%0.608SS**G310 helixtrans-80.5-8.4-175.8-63.9-26.1000112.5K481 P482K481-D484 PolarHBondContact O-N 2.78Å; P482-D484 VanDerWaalsContact C-N 3.34Å
485F52.9Low53.8Low154 Ų154121.2 Ų121.268%0.67562%0.616SS**G310 helixtrans-114.15.1-179-66-91.4000113.2I480 P482 E483 V487I480-F485 HydrophobicContact CG2-CD2 3.78Å; I480-F485 HydrophobicContact CG2-CE2 3.51Å; I480-F485 HydrophobicContact CG2-CZ 4.36Å; P482-F485 PolarHBondContact O-N 2.64Å; E483-F485 VanDerWaalsContact C-N 3.26Å; E483-F485 PolarHBondContact O-N 3.39Å; F485-V487 PolarHBondContact O-N 3.42Å
486L52.5Low52.9Low110 Ų110118.7 Ų118.758%0.57660%0.604SS**  trans-78111.6169.7-76.9165000109.3
487V52Low52.1Low89 Ų89115.8 Ų115.854%0.53960%0.596SS.*  trans-66.3126.9175.5-176.80000109.1F485 E489 L490F485-V487 PolarHBondContact O-N 3.42Å; V487-E489 HydrophobicContact CG1-CB 4.36Å; V487-E489 PolarHBondContact O-N 3.48Å; V487-L490 PolarHBondContact O-N 3.04Å
488P46.4Very low50.4Low108 Ų108118.2 Ų118.270%0.70161%0.609SS**G310 helixtrans-59-11.8-176.3-27.234.7000116.6L490P488-L490 VanDerWaalsContact C-N 3.35Å; P488-L490 PolarHBondContact O-N 3.44Å
489E47.1Very low48.8Very low164 Ų164120.6 Ų120.677%0.76662%0.617SS**G310 helixtrans-79.2-11.2-178.1-76.1172.4157.200114.3V487V487-E489 HydrophobicContact CG1-CB 4.36Å; V487-E489 PolarHBondContact O-N 3.48Å
490L44.6Very low47.6Very low148 Ų148124 Ų12478%0.77564%0.635SS**G310 helixtrans-101.4-1.3178-76.7163.2000114.4V487 P488 T493V487-L490 PolarHBondContact O-N 3.04Å; P488-L490 VanDerWaalsContact C-N 3.35Å; P488-L490 PolarHBondContact O-N 3.44Å; L490-T493 PolarHBondContact O-OG1 3.4Å
491Q39.6Very low46.4Very low130 Ų130127 Ų12761%0.60765%0.647SS**THydrogen-bonded Turntrans-102.3-12.1172.8-76-177.2-14.400113.7T493Q491-T493 PolarHBondContact O-N 2.91Å
492A38.5Very low45Very low50 Ų50127 Ų12741%0.41366%0.659SS.*Hα-helixtrans-66.6-16.6176.800000113.3E496A492-E496 WeakPolarHBondContact O-CG 3.3Å
493T51.2Low44Very low94 Ų94125.8 Ų125.858%0.57766%0.664SS**Hα-helixtrans-82.8-18.4-175.346.60000114.7L490 Q491L490-T493 PolarHBondContact O-OG1 3.4Å; Q491-T493 PolarHBondContact O-N 2.91Å
494E41.7Very low43.1Very low163 Ų163126.6 Ų126.676%0.76267%0.672SS**Hα-helixtrans-100.3-34.5179.6-71.1-165.1153.700113.5
495E37.3Very low41.9Very low137 Ų137128.2 Ų128.264%0.6469%0.686SS**Hα-helixtrans-73.8-31.5177.8-73.9-16516300113.1K497 S498E495-K497 VanDerWaalsContact C-N 3.34Å; E495-S498 PolarHBondContact O-N 3.41Å; E495-S498 PolarHBondContact O-OG 2.83Å
496E42.5Very low40.7Very low139 Ų139129 Ų12965%0.6570%0.698SS**Hα-helixtrans-69.3-31.2175.5-73.1-169159.200112.6A492 S498 K499A492-E496 WeakPolarHBondContact O-CG 3.3Å; E496-S498 VanDerWaalsContact C-N 3.3Å; E496-S498 PolarHBondContact O-N 2.95Å; E496-K499 PolarHBondContact O-N 3.03Å
497K41.7Very low39.6Very low167 Ų167127.2 Ų127.273%0.72671%0.706SS**Hα-helixtrans-65-33.5175.2-120.7175.3-178.6175.40112.7E495E495-K497 VanDerWaalsContact C-N 3.34Å
498S36.1Very low38.8Very low75 Ų75130.7 Ų130.752%0.52472%0.721SS.*Hα-helixtrans-81-23-177.273.40000114.4E495 E496E495-S498 PolarHBondContact O-N 3.41Å; E495-S498 PolarHBondContact O-OG 2.83Å; E496-S498 VanDerWaalsContact C-N 3.3Å; E496-S498 PolarHBondContact O-N 2.95Å
499K36.2Very low37.9Very low155 Ų155134.4 Ų134.467%0.67473%0.729SS**Hα-helixtrans-86.4-19179.2-73.5177.3-176.9162.90113.5E496 E501E496-K499 PolarHBondContact O-N 3.03Å; K499-E501 VanDerWaalsContact C-N 3.34Å
500L39.3Very low37.4Very low154 Ų154132.1 Ų132.181%0.80673%0.729SS**SBendtrans-73-20.3175.9-107.6115.7000113.9
501E37.5Very low36.8Very low183 Ų183132.5 Ų132.586%0.85573%0.729SS**SBendtrans-87.3-16.5-178.3-78.3-167153.800114.9K499K499-E501 VanDerWaalsContact C-N 3.34Å
502S32.6Very low36.6Very low89 Ų89133.6 Ų133.662%0.62274%0.739SS**SBendtrans-114.775.9-179.368.90000111.6L504S502-L504 PolarHBondContact O-N 3.21Å
503G38.4Very low36.4Very low75 Ų75138.9 Ų138.977%0.77376%0.755SS**  trans-62.594.4178.100000113.3
504L39.1Very low35.6Very low159 Ų159141.4 Ų141.483%0.83276%0.764SS**  trans-158.5105.4160.1-85.7175.3000109.1S502S502-L504 PolarHBondContact O-N 3.21Å
505T32.3Very low35.3Very low150 Ų150141.7 Ų141.792%0.9277%0.77SS**  trans-177.1144.1130.241.90000112.9
506N27.8Very low35.5Very low171 Ų171139.5 Ų139.591%0.91477%0.77SS**  trans-66.6151.4179.6-59.3-49000114.7
507G29.6Very low35.9Very low72 Ų72139.1 Ų139.174%0.74277%0.773SS**  trans129.783.6146.200000117.3
508D34.8Very low36.8Very low162 Ų162134.6 Ų134.687%0.86676%0.759SS**  trans36.195.4145-59-31.3000120.9
509E28.7Very low38.6Very low185 Ų185131.6 Ų131.686%0.86474%0.738SS**  -177.5121.1111-95.5-173.9-165.800108.6M511E509-M511 PolarHBondContact O-N 3.08Å
510P35.7Very low40.7Very low117 Ų117126.9 Ų126.976%0.7672%0.722SS**  trans-82.7108-179.330.9-28.3000109.9
511M32.9Very low42.8Very low156 Ų156124.7 Ų124.777%0.76871%0.706SS**  trans-59.9126.6136.4-89.8176.353.400106E509 Q513E509-M511 PolarHBondContact O-N 3.08Å; M511-Q513 PolarHBondContact O-N 3.03Å
512D35.9Very low45Very low153 Ų153117.8 Ų117.882%0.81868%0.678SS**  trans-63.779.6169.6-77.4-42.2000108.8
513Q33Very low47.5Very low161 Ų161117.4 Ų117.475%0.75267%0.668SS**  trans-73.2127161.9-79.1175.2-12.300107.4M511M511-Q513 PolarHBondContact O-N 3.03Å
514D34.9Very low49.9Very low146 Ų146117 Ų11778%0.78165%0.653SS**  trans17105.4162.9-72.4-33.8000116.6S516D514-S516 PolarHBondContact O-N 3.17Å; D514-S516 PolarHBondContact O-OG 3.05Å
515L34.7Very low52.3Low169 Ų169112.6 Ų112.689%0.88563%0.633SS**  trans-59.570.8152.3-79.7159.4000109.4D517L515-D517 PolarHBondContact O-N 3.05Å
516S41.2Very low55Low92 Ų92109.9 Ų109.964%0.64362%0.616SS**  trans-64.7115.916839.90000108.9D514 V518D514-S516 PolarHBondContact O-N 3.17Å; D514-S516 PolarHBondContact O-OG 3.05Å; S516-V518 PolarHBondContact O-N 3.04Å
517D52.2Low57.9Low131 Ų131106.5 Ų106.570%0.70160%0.595SS**  trans5845.4148.5-62-17.3000118.7L515 P519L515-D517 PolarHBondContact O-N 3.05Å; D517-P519 WeakPolarHBondContact O-CD 3.5Å
518V59.1Low60.8Low71 Ų71106.9 Ų106.943%0.4359%0.586SS.*  trans-89.1111.9151.6-169.30000107.6K386 S516 T520K386-V518 HydrophobicContact CB-CG1 4.03Å; K386-V518 HydrophobicContact CD-CG1 3.99Å; K386-V518 HydrophobicContact CG-CG1 3.86Å; S516-V518 PolarHBondContact O-N 3.04Å; V518-T520 PolarHBondContact O-N 2.99Å
519P75.4Confident63.3Low12 Ų1299.2 Ų99.28%0.07855%0.545CS..  trans-70.8138.2-178.531.5-34.7000109.2L387 L392 Y395 D517L387-P519 HydrophobicContact CB-CG 4.34Å; L387-P519 WeakPolarHBondContact CB-O 3.45Å; L387-P519 HydrophobicContact CD1-CB 3.82Å; L387-P519 HydrophobicContact CD1-CG 4.09Å; L387-P519 HydrophobicContact CG-CB 4.49Å; L387-P519 WeakPolarHBondContact CG-O 3.23Å; L387-P519 PolarHBondContact N-O 3.14Å; L392-P519 HydrophobicContact CD1-CG 3.14Å; Y395-P519 HydrophobicContact CD1-CB 3.35Å; Y395-P519 HydrophobicContact CD1-CG 3.63Å; Y395-P519 HydrophobicContact CD2-CB 4.12Å; Y395-P519 HydrophobicContact CE1-CB 3.32Å; Y395-P519 HydrophobicContact CE1-CG 3.96Å; Y395-P519 HydrophobicContact CE2-CB 4.08Å; Y395-P519 HydrophobicContact CG-CB 3.77Å; Y395-P519 HydrophobicContact CG-CG 4.2Å; D517-P519 WeakPolarHBondContact O-CD 3.5Å
520T79.8Confident66.4Low56 Ų5694.5 Ų94.534%0.34452%0.523SS..EExtended strand (participates in β ladder)trans-128.3158-171.551.20000109.7R384 V385 K386 V518R384-T520 VanDerWaalsContact CD-OG1 3.29Å; R384-T520 WeakPolarHBondContact CD-OG1 3.5Å; R384-T520 VanDerWaalsContact CG-CB 3.46Å; R384-T520 HydrophobicContact CG-CG2 4.01Å; V385-T520 CarbonylContact O-C 3.47Å; V385-T520 VanDerWaalsContact O-CA 3.24Å; V385-T520 WeakPolarHBondContact O-CA 3.42Å; V385-T520 WeakPolarHBondContact O-CB 3.35Å; K386-T520 HydrophobicContact CG-CG2 4.15Å; V518-T520 PolarHBondContact O-N 2.99Å
521K83.6Confident69.1Low108 Ų10889.3 Ų89.347%0.4749%0.489SS..EExtended strand (participates in β ladder)trans-131.7141.7174.8176.2-179.8176.7-175.20109.4R384 V385 L387 E391R384-K521 WeakPolarHBondContact CA-O 3.2Å; V385-K521 PolarHBondContact N-O 2.94Å; V385-K521 PolarHBondContact O-N 3.48Å; L387-K521 HydrophobicContact CD2-CB 3.66Å; L387-K521 HydrophobicContact CD2-CD 4.36Å; E391-K521 IonicContact OE1-NZ 3.99Å
522C83.4Confident72Confident39 Ų3986 Ų8626%0.26447%0.47SS..EExtended strand (participates in β ladder)trans-87.9130.9174.8-590000110T108 E109 R384T108-C522 WeakPolarHBondContact O-CB 3.34Å; T108-C522 PolarHBondContact O-SG 3.49Å; E109-C522 WeakPolarHBondContact CA-SG 3.03Å; R384-C522 PolarHBondContact NE-SG 3.01Å
523I85.8Confident74.8Confident81 Ų8179.1 Ų79.142%0.41543%0.434SS..EExtended strand (participates in β ladder)trans-112.9133.3175.9-53.9176.2000106.9R382 K383 V385R382-I523 WeakPolarHBondContact CA-O 3.35Å; K383-I523 PolarHBondContact N-O 3.41Å; K383-I523 PolarHBondContact O-N 3.48Å; V385-I523 HydrophobicContact CB-CD1 4.17Å; V385-I523 HydrophobicContact CG2-CD1 3.83Å; V385-I523 HydrophobicContact CG2-CG1 4.43Å
524S87.8Confident77.8Confident65 Ų6575.4 Ų75.446%0.45541%0.413SS..EExtended strand (participates in β ladder)trans-114.1127.8171.61710000109.1E380 L381E380-S524 WeakPolarHBondContact CG-OG 3.28Å; E380-S524 WeakPolarHBondContact OE1-CB 3.15Å; E380-S524 PolarHBondContact OE1-OG 2.78Å; L381-S524 WeakPolarHBondContact O-CA 3.31Å
525T89.5Confident80.6Confident68 Ų6870.4 Ų70.442%0.41739%0.388SS..EExtended strand (participates in β ladder)trans-135.2132.1175.4-56.60000108.9L381 E527L381-T525 WeakPolarHBondContact CB-O 3.03Å; L381-T525 PolarHBondContact N-O 2.92Å; L381-T525 PolarHBondContact O-N 2.9Å; T525-E527 HydrophobicContact CG2-CG 4.22Å
526T90.1Very high83.6Confident93 Ų9364.3 Ų64.357%0.57136%0.358SS*.EExtended strand (participates in β ladder)trans-86.2125.6172.3-51.40000109.9E378E378-T526 HydrophobicContact CB-CG2 4.32Å
527E87.8Confident86.2Confident99 Ų9962.6 Ų62.646%0.46334%0.338SS..EExtended strand (participates in β ladder)trans-126.8143.9174.3-67.2-163.4171.600111.1I379 L381 T525I379-E527 PolarHBondContact N-O 2.73Å; I379-E527 PolarHBondContact O-N 3.1Å; L381-E527 HydrophobicContact CD1-CB 3.98Å; L381-E527 VanDerWaalsContact CD1-CD 3.48Å; L381-E527 HydrophobicContact CD1-CG 3.73Å; L381-E527 WeakPolarHBondContact CD1-OE2 3.37Å; L381-E527 HydrophobicContact CG-CB 4.42Å; L381-E527 HydrophobicContact CG-CG 4.46Å; T525-E527 HydrophobicContact CG2-CG 4.22Å
528S89.6Confident88.3Confident80 Ų8056.4 Ų56.456%0.55931%0.305SS*.EExtended strand (participates in β ladder)trans-86.9113.5169.8-49.80000109
529I88.9Confident90Very high2 Ų253.1 Ų53.11%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-102139.6177.759.2145.9000111.2F342 C346 I376 T377 I379 I531F342-I529 HydrophobicContact CE1-CD1 3.72Å; F342-I529 HydrophobicContact CZ-CD1 4.34Å; C346-I529 VanDerWaalsContact SG-CD1 3.57Å; I376-I529 WeakPolarHBondContact CA-O 3.44Å; T377-I529 PolarHBondContact N-O 3.23Å; T377-I529 VanDerWaalsContact N-O 3.1Å; T377-I529 PolarHBondContact O-N 3.25Å; I379-I529 HydrophobicContact CB-CG1 4.48Å; I379-I529 HydrophobicContact CD1-CD1 3.29Å; I379-I529 HydrophobicContact CD1-CG1 3.62Å; I379-I529 HydrophobicContact CG1-CD1 4.18Å; I379-I529 HydrophobicContact CG1-CG1 3.93Å; I529-I531 HydrophobicContact CD1-CG1 4.18Å
530E92.4Very high91Very high85 Ų8552.9 Ų52.940%0.39728%0.282SS..EExtended strand (participates in β ladder)trans-95.3114.6174.3-168.9-173.1174.500110K375 I376 K532K375-E530 CarbonylContact O-C 3.57Å; K375-E530 VanDerWaalsContact O-CA 3.29Å; K375-E530 WeakPolarHBondContact O-CA 3.37Å; I376-E530 HydrophobicContact CG1-CG 4.34Å; E530-K532 HydrophobicContact CG-CG 4.31Å; E530-K532 PolarHBondContact O-N 2.88Å; E530-K532 WeakPolarHBondContact OE1-CE 3.26Å; E530-K532 IonicContact OE1-NZ 3.27Å; E530-K532 WeakPolarHBondContact OE2-CE 3.37Å; E530-K532 IonicContact OE2-NZ 2.76Å; E530-K532 PolarHBondContact OE2-NZ 3.05Å
531I93.9Very high91.5Very high9 Ų950.2 Ų50.25%0.04627%0.266CS..  trans-83.3101.5-177.9-54.9172.5000109F342 C346 L368 K375 I529 V535F342-I531 HydrophobicContact CZ-CD1 4Å; F342-I531 HydrophobicContact CZ-CG1 4.31Å; C346-I531 HydrophobicContact CB-CG2 4.48Å; C346-I531 CarbonylContact O-C 3.46Å; L368-I531 HydrophobicContact CD2-CD1 3.64Å; K375-I531 WeakPolarHBondContact CE-O 3.44Å; K375-I531 WeakPolarHBondContact CG-O 3.44Å; K375-I531 PolarHBondContact O-N 3.06Å; I529-I531 HydrophobicContact CD1-CG1 4.18Å; I531-V535 HydrophobicContact CG2-CG2 3.87Å
532K93.8Very high92Very high87 Ų8745.1 Ų45.138%0.37824%0.244SC..  trans-100.8-26.1177.3-63.1-177.7-177.8159.90113.3C346 Q347 P349 E530C346-K532 PolarHBondContact O-N 3.18Å; Q347-K532 WeakPolarHBondContact O-CB 3.29Å; Q347-K532 WeakPolarHBondContact O-CD 3.44Å; P349-K532 WeakPolarHBondContact CA-O 3.32Å; P349-K532 HydrophobicContact CB-CB 4.26Å; E530-K532 HydrophobicContact CG-CG 4.31Å; E530-K532 PolarHBondContact O-N 2.88Å; E530-K532 WeakPolarHBondContact OE1-CE 3.26Å; E530-K532 IonicContact OE1-NZ 3.27Å; E530-K532 WeakPolarHBondContact OE2-CE 3.37Å; E530-K532 IonicContact OE2-NZ 2.76Å; E530-K532 PolarHBondContact OE2-NZ 3.05Å
533A94.3Very high92.6Very high8 Ų843.4 Ų43.47%0.06623%0.232CC..SBendtrans-60.8153.8176.400000111.4C346 D348 N351 I353 V535C346-A533 WeakPolarHBondContact O-CB 3.38Å; C346-A533 PolarHBondContact O-N 2.78Å; D348-A533 WeakPolarHBondContact O-CA 3.42Å; N351-A533 HydrophobicContact CB-CB 4.14Å; N351-A533 WeakPolarHBondContact O-CA 3.45Å; N351-A533 WeakPolarHBondContact O-CB 3.22Å; I353-A533 HydrophobicContact CD1-CB 3.92Å; A533-V535 PolarHBondContact O-N 3.17Å
534R95.3Very high93Very high82 Ų8239.9 Ų39.931%0.30922%0.215SC..EExtended strand (participates in β ladder)trans-76.2110.1176179.5172.566-170.51.1109.6N222 E225 T226 N351 S352 I353N222-R534 PolarHBondContact O-NH2 2.93Å; N222-R534 VanDerWaalsContact OD1-CZ 3.31Å; N222-R534 PolarHBondContact OD1-NE 3.3Å; N222-R534 PolarHBondContact OD1-NH2 3.45Å; E225-R534 VanDerWaalsContact CD-NH1 3.31Å; E225-R534 IonicContact OE1-NH1 3.82Å; E225-R534 IonicContact OE2-CZ 3.43Å; E225-R534 IonicContact OE2-NH1 3.72Å; E225-R534 PolarHBondContact OE2-NH1 2.84Å; E225-R534 IonicContact OE2-NH2 3.98Å; T226-R534 PolarHBondContact OG1-NH2 3.1Å; N351-R534 PolarHBondContact O-N 2.83Å; S352-R534 CarbonylContact C-O 3.58Å; S352-R534 VanDerWaalsContact CA-O 3.31Å; S352-R534 WeakPolarHBondContact CA-O 3.21Å; S352-R534 PolarHBondContact OG-O 2.9Å; I353-R534 PolarHBondContact N-O 3.49Å
535V95.2Very high93.3Very high41 Ų4137.8 Ų37.825%0.24820%0.198CC..EExtended strand (participates in β ladder)trans-91.3133.5171.5-172.60000109.2I353 L355 L368 I531 A533I353-V535 HydrophobicContact CB-CG2 4.31Å; I353-V535 HydrophobicContact CD1-CG2 4.23Å; I353-V535 CarbonylContact O-C 3.26Å; I353-V535 WeakPolarHBondContact O-CA 3.22Å; L355-V535 HydrophobicContact CD1-CG1 4.14Å; L355-V535 HydrophobicContact CG-CG1 4.43Å; L368-V535 HydrophobicContact CB-CG1 4.2Å; L368-V535 HydrophobicContact CD1-CG1 4.42Å; I531-V535 HydrophobicContact CG2-CG2 3.87Å; A533-V535 PolarHBondContact O-N 3.17Å
536T95.7Very high93.4Very high42 Ų4234.6 Ų34.626%0.25818%0.179SC..EExtended strand (participates in β ladder)trans-144.4128.1179-53.60000110.5N222 I353 I354 L355 I538N222-T536 WeakPolarHBondContact ND2-CB 3.44Å; N222-T536 PolarHBondContact ND2-OG1 3.5Å; I353-T536 PolarHBondContact O-N 2.96Å; I354-T536 WeakPolarHBondContact CA-O 3.39Å; L355-T536 PolarHBondContact N-O 2.82Å; T536-I538 HydrophobicContact CG2-CD1 4.44Å; T536-I538 HydrophobicContact CG2-CG1 4.04Å
537Y96.2Very high93.5Very high55 Ų5535.6 Ų35.622%0.21618%0.181CC..EExtended strand (participates in β ladder)trans-86.4126.2169.5175.4-111.3000110.5L355 I369 D539L355-Y537 HydrophobicContact CB-CD2 4.19Å; L355-Y537 WeakPolarHBondContact O-CA 3.22Å; L355-Y537 WeakPolarHBondContact O-CD2 3.5Å; I369-Y537 HydrophobicContact CD1-CD2 3.68Å; I369-Y537 HydrophobicContact CD1-CE2 3.99Å; I369-Y537 HydrophobicContact CD1-CG 4.33Å; I369-Y537 HydrophobicContact CG1-CD2 3.89Å; I369-Y537 HydrophobicContact CG1-CG 4.11Å; I369-Y537 HydrophobicContact CG2-CD1 4.4Å; I369-Y537 HydrophobicContact CG2-CG 4.22Å; Y537-D539 HydrophobicContact CE1-CB 4.03Å
538I96.3Very high93.7Very high1 Ų132 Ų321%0.00517%0.167CC..  trans-129.6109173.2-60.8173.7000108.1R215 Q218 L219 I354 L355 T356 T536 Y540R215-I538 HydrophobicContact CB-CG2 4.4Å; Q218-I538 HydrophobicContact CG-CD1 4.09Å; Q218-I538 HydrophobicContact CG-CG1 4.32Å; Q218-I538 HydrophobicContact CG-CG2 4.26Å; L219-I538 HydrophobicContact CB-CD1 4.11Å; L219-I538 HydrophobicContact CD1-CD1 4.09Å; I354-I538 HydrophobicContact CG2-CB 4.3Å; I354-I538 HydrophobicContact CG2-CD1 3.92Å; I354-I538 HydrophobicContact CG2-CG1 4.23Å; L355-I538 PolarHBondContact O-N 3.41Å; T356-I538 WeakPolarHBondContact CA-O 3.41Å; T536-I538 HydrophobicContact CG2-CD1 4.44Å; T536-I538 HydrophobicContact CG2-CG1 4.04Å; I538-Y540 HydrophobicContact CB-CD2 4.46Å; I538-Y540 HydrophobicContact CB-CE2 4.44Å; I538-Y540 HydrophobicContact CG2-CD2 3.69Å; I538-Y540 HydrophobicContact CG2-CE2 3.4Å; I538-Y540 VanDerWaalsContact CG2-CE2 3.4Å; I538-Y540 PolarHBondContact O-N 3.11Å
539D95.4Very high93.9Very high3 Ų328.4 Ų28.42%0.01614%0.141CC..  trans-60.1111.1-177.4173.914.6000112.5Y207 Q209 R215 Y537 E541Y207-D539 WeakPolarHBondContact CE1-OD2 3.49Å; Q209-D539 VanDerWaalsContact CG-OD2 3.31Å; Q209-D539 WeakPolarHBondContact CG-OD2 3.43Å; Q209-D539 PolarHBondContact NE2-OD2 3.22Å; R215-D539 WeakPolarHBondContact CD-O 3.37Å; R215-D539 PolarHBondContact NE-O 2.83Å; R215-D539 PolarHBondContact NH1-O 2.84Å; R215-D539 IonicContact NH1-OD1 3.61Å; R215-D539 IonicContact NH1-OD2 2.78Å; R215-D539 PolarHBondContact NH1-OD2 3.42Å; Y537-D539 HydrophobicContact CE1-CB 4.03Å; D539-E541 VanDerWaalsContact OD1-CG 3.26Å; D539-E541 WeakPolarHBondContact OD1-CG 3.37Å; D539-E541 PolarHBondContact OD1-N 2.82Å
540Y96.1Very high94.1Very high6 Ų630 Ų302%0.02415%0.148CC..  trans-125.824.7167.2-82.4-79.9000111.6R215 D216 L219 R242 L246 L249 T356 I538 G542R215-Y540 PolarHBondContact O-OH 3.2Å; D216-Y540 VanDerWaalsContact CA-OH 3.24Å; D216-Y540 WeakPolarHBondContact CA-OH 3.24Å; D216-Y540 PolarHBondContact N-OH 2.82Å; D216-Y540 WeakPolarHBondContact OD1-CE1 2.98Å; D216-Y540 PolarHBondContact OD1-OH 3.38Å; L219-Y540 HydrophobicContact CB-CE2 4.2Å; L219-Y540 HydrophobicContact CD2-CE2 3.71Å; L219-Y540 HydrophobicContact CG-CE2 4.39Å; R242-Y540 PolarHBondContact NE-O 3.39Å; R242-Y540 PolarHBondContact NH2-O 3.04Å; L246-Y540 HydrophobicContact CD2-CD1 4.4Å; L246-Y540 HydrophobicContact CD2-CD2 4.01Å; L246-Y540 HydrophobicContact CD2-CE2 4.2Å; L246-Y540 HydrophobicContact CD2-CG 4.12Å; L246-Y540 HydrophobicContact CG-CG 4.47Å; L249-Y540 HydrophobicContact CD2-CE1 3.93Å; T356-Y540 HydrophobicContact CG2-CD2 4.33Å; T356-Y540 PolarHBondContact O-N 3.23Å; I538-Y540 HydrophobicContact CB-CD2 4.46Å; I538-Y540 HydrophobicContact CB-CE2 4.44Å; I538-Y540 HydrophobicContact CG2-CD2 3.69Å; I538-Y540 HydrophobicContact CG2-CE2 3.4Å; I538-Y540 VanDerWaalsContact CG2-CE2 3.4Å; I538-Y540 PolarHBondContact O-N 3.11Å; Y540-G542 PolarHBondContact O-N 2.91Å
541E91.5Very high94Very high0 Ų032.8 Ų32.80%016%0.159CC..  trans-66-23.5-174.577.7-169.6146.100112.6H153 F203 N204 R242 Y357 R358 D539 R543H153-E541 PolarHBondContact CE1-O 2.83Å; H153-E541 PolarHBondContact ND1-O 2.88Å; F203-E541 WeakPolarHBondContact CE1-OE2 3.48Å; N204-E541 PolarHBondContact ND2-OE1 2.81Å; R242-E541 WeakPolarHBondContact CD-O 3.46Å; R242-E541 PolarHBondContact NE-O 2.92Å; Y357-E541 HydrophobicContact CD2-CB 3.78Å; Y357-E541 HydrophobicContact CE2-CB 4.03Å; R358-E541 IonicContact NH2-OE1 2.75Å; R358-E541 PolarHBondContact NH2-OE1 2.74Å; R358-E541 IonicContact NH2-OE2 3.96Å; D539-E541 VanDerWaalsContact OD1-CG 3.26Å; D539-E541 WeakPolarHBondContact OD1-CG 3.37Å; D539-E541 PolarHBondContact OD1-N 2.82Å; E541-R543 HydrophobicContact CG-CB 4.06Å; E541-R543 HydrophobicContact CG-CG 4.06Å; E541-R543 IonicContact OE2-NH1 3.93Å; E541-R543 PolarHBondContact OE2-NH1 2.88Å
542G93.8Very high93.9Very high1 Ų133.6 Ų33.61%0.0116%0.163CC..  trans71.943.4175.500000112.8H153 N177 E181 Y540H153-G542 WeakPolarHBondContact CA-O 3.39Å; H153-G542 PolarHBondContact ND1-O 3.47Å; N177-G542 VanDerWaalsContact CB-O 3.27Å; N177-G542 WeakPolarHBondContact CB-O 3.43Å; N177-G542 PolarHBondContact ND2-O 3.44Å; E181-G542 WeakPolarHBondContact OE1-CA 3.5Å; Y540-G542 PolarHBondContact O-N 2.91Å
543R95.3Very high93.8Very high4 Ų429.6 Ų29.62%0.01515%0.146CC..  trans-115160.6173.1-69.6179.6174.789.411.3111.3D175 Y357 E541D175-R543 VanDerWaalsContact CG-NH2 3.33Å; D175-R543 IonicContact OD1-CZ 3.86Å; D175-R543 IonicContact OD1-NE 3.4Å; D175-R543 PolarHBondContact OD1-NE 3.05Å; D175-R543 IonicContact OD1-NH2 3.77Å; D175-R543 IonicContact OD2-CZ 2.78Å; D175-R543 IonicContact OD2-NE 3.9Å; D175-R543 IonicContact OD2-NH2 2.63Å; D175-R543 PolarHBondContact OD2-NH2 3.09Å; Y357-R543 VanDerWaalsContact CE2-NH1 3.32Å; Y357-R543 PolarHBondContact OH-NH1 2.77Å; Y357-R543 PolarHBondContact OH-NH2 3.42Å; E541-R543 HydrophobicContact CG-CB 4.06Å; E541-R543 HydrophobicContact CG-CG 4.06Å; E541-R543 IonicContact OE2-NH1 3.93Å; E541-R543 PolarHBondContact OE2-NH1 2.88Å
544S94.6Very high93.6Very high7 Ų732.3 Ų32.35%0.04916%0.159CC..  trans-66.9147.3171.8-61.90000112F176 N177 H178 N204F176-S544 WeakPolarHBondContact O-CB 3.44Å; F176-S544 PolarHBondContact O-N 3.4Å; F176-S544 PolarHBondContact O-OG 3.4Å; N177-S544 WeakPolarHBondContact CA-OG 3.38Å; H178-S544 PolarHBondContact N-OG 3.49Å; H178-S544 VanDerWaalsContact N-OG 3.1Å; H178-S544 WeakPolarHBondContact ND1-CB 3.45Å; H178-S544 PolarHBondContact ND1-OG 3.42Å; N204-S544 WeakPolarHBondContact CB-O 3.48Å
545D93.4Very high93.3Very high20 Ų2034.3 Ų34.311%0.10717%0.172CC..  trans-86162.7174.458.8-54.9000112.2H178 K179 Q209 D547 S548 I549H178-D545 IonicContact CE1-OD1 3.18Å; H178-D545 PolarHBondContact CE1-OD1 2.77Å; H178-D545 VanDerWaalsContact CE1-OD1 3.23Å; H178-D545 IonicContact NE2-OD1 2.66Å; K179-D545 WeakPolarHBondContact CE-OD1 3.44Å; K179-D545 IonicContact NZ-OD1 2.74Å; K179-D545 PolarHBondContact NZ-OD1 2.95Å; K179-D545 IonicContact NZ-OD2 3.78Å; Q209-D545 HydrophobicContact CB-CB 3.71Å; D545-D547 VanDerWaalsContact C-N 3.34Å; D545-D547 PolarHBondContact O-N 3.24Å; D545-S548 PolarHBondContact O-N 2.86Å; D545-S548 VanDerWaalsContact OD1-CB 3.26Å; D545-S548 WeakPolarHBondContact OD1-CB 3.41Å; D545-S548 PolarHBondContact OD1-OG 2.8Å; D545-S548 PolarHBondContact OD2-OG 2.84Å; D545-I549 WeakPolarHBondContact O-CG2 3.13Å; D545-I549 PolarHBondContact O-N 2.93Å
546G91.8Very high93Very high2 Ų233 Ų332%0.02116%0.163CC..Hα-helixtrans-54.3-42.2-173.800000114.9N204 A205 Y207 S548 I549 K550N204-G546 WeakPolarHBondContact O-CA 3.4Å; N204-G546 PolarHBondContact O-N 3.09Å; N204-G546 VanDerWaalsContact O-N 3.08Å; A205-G546 WeakPolarHBondContact O-CA 3.48Å; Y207-G546 PolarHBondContact O-N 3.27Å; Y207-G546 VanDerWaalsContact O-N 3.16Å; G546-S548 VanDerWaalsContact C-N 3.34Å; G546-S548 PolarHBondContact O-N 2.79Å; G546-I549 WeakPolarHBondContact O-CG2 3.46Å; G546-K550 WeakPolarHBondContact O-CB 3.4Å; G546-K550 VanDerWaalsContact O-CD 3.26Å; G546-K550 WeakPolarHBondContact O-CD 3.41Å; G546-K550 WeakPolarHBondContact O-CG 3.34Å; G546-K550 PolarHBondContact O-N 3.24Å
547D92.2Very high92.6Very high114 Ų11436.7 Ų36.761%0.6118%0.176SC*.Hα-helixtrans-67.6-37.8178.8-70.6-25.5000111.8D545 K551D545-D547 VanDerWaalsContact C-N 3.34Å; D545-D547 PolarHBondContact O-N 3.24Å; D547-K551 VanDerWaalsContact O-CB 3.25Å; D547-K551 WeakPolarHBondContact O-CB 3.42Å; D547-K551 PolarHBondContact O-N 2.85Å
548S93.1Very high92.4Very high22 Ų2234.1 Ų34.115%0.15417%0.166CC..Hα-helixtrans-75.3-43-177.4-58.30000112H178 D545 G546 K550 K551 I552H178-S548 WeakPolarHBondContact CE1-CB 3.19Å; H178-S548 PolarHBondContact CE1-OG 3.26Å; H178-S548 PolarHBondContact NE2-OG 2.91Å; D545-S548 PolarHBondContact O-N 2.86Å; D545-S548 VanDerWaalsContact OD1-CB 3.26Å; D545-S548 WeakPolarHBondContact OD1-CB 3.41Å; D545-S548 PolarHBondContact OD1-OG 2.8Å; D545-S548 PolarHBondContact OD2-OG 2.84Å; G546-S548 VanDerWaalsContact C-N 3.34Å; G546-S548 PolarHBondContact O-N 2.79Å; S548-K550 PolarHBondContact O-N 3.38Å; S548-K551 PolarHBondContact O-N 3.49Å; S548-I552 WeakPolarHBondContact O-CB 3.26Å; S548-I552 WeakPolarHBondContact O-CD1 3.26Å; S548-I552 WeakPolarHBondContact O-CG1 3.16Å; S548-I552 PolarHBondContact O-N 2.81Å
549I92.7Very high92Very high5 Ų538 Ų383%0.02618%0.18CC..Hα-helixtrans-59.6-46.8174.9-176.2167.2000110.8F176 D201 D545 G546 K551 I552 I553 L574F176-I549 HydrophobicContact CE1-CD1 4.41Å; F176-I549 HydrophobicContact CZ-CD1 4.3Å; F176-I549 HydrophobicContact CZ-CG1 3.98Å; D201-I549 VanDerWaalsContact O-CD1 3.28Å; D201-I549 WeakPolarHBondContact O-CD1 3.36Å; D545-I549 WeakPolarHBondContact O-CG2 3.13Å; D545-I549 PolarHBondContact O-N 2.93Å; G546-I549 WeakPolarHBondContact O-CG2 3.46Å; I549-K551 VanDerWaalsContact C-N 3.32Å; I549-K551 PolarHBondContact O-N 3.01Å; I549-I552 PolarHBondContact O-N 3.02Å; I549-I553 HydrophobicContact CG1-CD1 3.84Å; I549-I553 WeakPolarHBondContact O-CG1 3.34Å; I549-I553 PolarHBondContact O-N 2.79Å; I549-L574 HydrophobicContact CD1-CD2 4.27Å
550K92.4Very high91.9Very high35 Ų3538.1 Ų38.115%0.15218%0.181CC..Hα-helixtrans-59.5-42.4175.8-71.2167-175.4163.30111.7A205 G546 S548 N554 D573 L574 C577A205-K550 WeakPolarHBondContact O-CE 3.48Å; A205-K550 PolarHBondContact O-NZ 2.79Å; G546-K550 WeakPolarHBondContact O-CB 3.4Å; G546-K550 VanDerWaalsContact O-CD 3.26Å; G546-K550 WeakPolarHBondContact O-CD 3.41Å; G546-K550 WeakPolarHBondContact O-CG 3.34Å; G546-K550 PolarHBondContact O-N 3.24Å; S548-K550 PolarHBondContact O-N 3.38Å; K550-N554 VanDerWaalsContact O-CB 3.25Å; K550-N554 WeakPolarHBondContact O-CB 3.15Å; K550-N554 PolarHBondContact O-N 2.93Å; K550-D573 WeakPolarHBondContact CE-OD2 3.49Å; K550-D573 IonicContact NZ-OD1 3.72Å; K550-D573 IonicContact NZ-OD2 3.08Å; K550-D573 PolarHBondContact NZ-OD2 3.5Å; K550-L574 HydrophobicContact CG-CD1 3.63Å; K550-C577 HydrophobicContact CD-CB 4.28Å; K550-C577 HydrophobicContact CG-CB 4.38Å
551K91.8Very high91.8Very high145 Ų14537.8 Ų37.863%0.6318%0.18SC*.Hα-helixtrans-66.1-43178.5-175.3-179.3177.5-172.80112.5D547 S548 I549 N554 Q555D547-K551 VanDerWaalsContact O-CB 3.25Å; D547-K551 WeakPolarHBondContact O-CB 3.42Å; D547-K551 PolarHBondContact O-N 2.85Å; S548-K551 PolarHBondContact O-N 3.49Å; I549-K551 VanDerWaalsContact C-N 3.32Å; I549-K551 PolarHBondContact O-N 3.01Å; K551-N554 PolarHBondContact O-N 3.17Å; K551-Q555 WeakPolarHBondContact O-CB 3.48Å; K551-Q555 PolarHBondContact O-N 3.23Å
552I91.8Very high92Very high26 Ų2637.8 Ų37.813%0.13318%0.18CC..Hα-helixtrans-64.4-47.7179.9-70.3163.1000110.2F176 H178 L189 S548 I549 N554 Q555 M556F176-I552 HydrophobicContact CE2-CD1 3.84Å; H178-I552 HydrophobicContact CB-CD1 3.65Å; L189-I552 HydrophobicContact CB-CG2 4.28Å; L189-I552 HydrophobicContact CD1-CG2 3.71Å; S548-I552 WeakPolarHBondContact O-CB 3.26Å; S548-I552 WeakPolarHBondContact O-CD1 3.26Å; S548-I552 WeakPolarHBondContact O-CG1 3.16Å; S548-I552 PolarHBondContact O-N 2.81Å; I549-I552 PolarHBondContact O-N 3.02Å; I552-N554 VanDerWaalsContact C-N 3.31Å; I552-N554 PolarHBondContact O-N 3.1Å; I552-Q555 WeakPolarHBondContact O-CB 3.18Å; I552-Q555 PolarHBondContact O-N 2.75Å; I552-Q555 VanDerWaalsContact O-N 3.09Å; I552-M556 HydrophobicContact CG2-SD 3.94Å; I552-M556 WeakPolarHBondContact O-CG 3.25Å; I552-M556 PolarHBondContact O-N 3.33Å
553I91.1Very high92.1Very high3 Ų337.9 Ų37.92%0.01518%0.18CC..Hα-helixtrans-61.4-41.8177.6-64.5167000110.8L198 T200 I549 Q555 M556 K557 P558 L561 L574L198-I553 HydrophobicContact CD2-CG1 4.13Å; T200-I553 HydrophobicContact CG2-CD1 4.03Å; I549-I553 HydrophobicContact CG1-CD1 3.84Å; I549-I553 WeakPolarHBondContact O-CG1 3.34Å; I549-I553 PolarHBondContact O-N 2.79Å; I553-Q555 VanDerWaalsContact C-N 3.29Å; I553-Q555 PolarHBondContact O-N 2.95Å; I553-M556 PolarHBondContact O-N 2.94Å; I553-K557 PolarHBondContact O-N 2.89Å; I553-P558 HydrophobicContact CG2-CG 4.21Å; I553-P558 WeakPolarHBondContact O-CD 3.23Å; I553-L561 HydrophobicContact CG2-CD2 4.08Å; I553-L574 HydrophobicContact CD1-CD1 4.1Å; I553-L574 HydrophobicContact CD1-CD2 4.29Å
554N89.8Confident92.1Very high64 Ų6437.7 Ų37.734%0.34218%0.179SC..Hα-helixtrans-65.8-30.1176.9-170.525.2000113K550 K551 I552 K557K550-N554 VanDerWaalsContact O-CB 3.25Å; K550-N554 WeakPolarHBondContact O-CB 3.15Å; K550-N554 PolarHBondContact O-N 2.93Å; K551-N554 PolarHBondContact O-N 3.17Å; I552-N554 VanDerWaalsContact C-N 3.31Å; I552-N554 PolarHBondContact O-N 3.1Å; N554-K557 WeakPolarHBondContact O-CG 3.47Å
555Q88.9Confident91.8Very high125 Ų12537.7 Ų37.758%0.58418%0.178SC*.Hα-helixtrans-74-42.3174.4-177.4176.4-20.300111.8K551 I552 I553K551-Q555 WeakPolarHBondContact O-CB 3.48Å; K551-Q555 PolarHBondContact O-N 3.23Å; I552-Q555 WeakPolarHBondContact O-CB 3.18Å; I552-Q555 PolarHBondContact O-N 2.75Å; I552-Q555 VanDerWaalsContact O-N 3.09Å; I553-Q555 VanDerWaalsContact C-N 3.29Å; I553-Q555 PolarHBondContact O-N 2.95Å
556M88.4Confident91.6Very high12 Ų1236.8 Ų36.86%0.05917%0.173CC..Hα-helixtrans-70-33.3179.5-69175.467.200113.2L189 L192 S193 P195 L198 I552 I553L189-M556 HydrophobicContact CB-SD 4.22Å; L189-M556 HydrophobicContact CD2-CE 4.27Å; L189-M556 HydrophobicContact CD2-SD 4.18Å; L192-M556 HydrophobicContact CB-CE 3.97Å; L192-M556 HydrophobicContact CD1-CE 3.85Å; S193-M556 VanDerWaalsContact O-O 3.07Å; P195-M556 HydrophobicContact CG-CE 3.88Å; L198-M556 HydrophobicContact CD1-CE 4.33Å; L198-M556 HydrophobicContact CD2-CE 4.31Å; L198-M556 HydrophobicContact CD2-SD 4.44Å; I552-M556 HydrophobicContact CG2-SD 3.94Å; I552-M556 WeakPolarHBondContact O-CG 3.25Å; I552-M556 PolarHBondContact O-N 3.33Å; I553-M556 PolarHBondContact O-N 2.94Å
557K88.1Confident91.6Very high121 Ų12138.4 Ų38.453%0.52618%0.183SC..  trans51.553.6-178.6-58.7-176.1177.4-179.80113.9R194 I553 N554R194-K557 WeakPolarHBondContact CG-O 3.46Å; R194-K557 PolarHBondContact NE-O 2.88Å; I553-K557 PolarHBondContact O-N 2.89Å; N554-K557 WeakPolarHBondContact O-CG 3.47Å
558P91.1Very high91.6Very high0 Ų036.5 Ų36.50%018%0.177CC..  trans-56.8146.1179.728.8-37.2000111.2P195 L198 I553 L561 I586P195-P558 HydrophobicContact CG-CB 4.09Å; P195-P558 WeakPolarHBondContact O-CA 3.43Å; L198-P558 HydrophobicContact CB-CB 3.79Å; L198-P558 HydrophobicContact CB-CG 4.18Å; L198-P558 HydrophobicContact CD2-CB 4.5Å; L198-P558 HydrophobicContact CD2-CG 4.15Å; I553-P558 HydrophobicContact CG2-CG 4.21Å; I553-P558 WeakPolarHBondContact O-CD 3.23Å; P558-L561 HydrophobicContact CG-CB 4.46Å; P558-L561 HydrophobicContact CG-CD1 4.47Å; P558-I586 WeakPolarHBondContact O-CG1 3.49Å
559R89.9Confident91.6Very high84 Ų8443.4 Ų43.432%0.31721%0.207SC..SBendtrans-69.4-41.1177.8-60.3-179.8-174.9-115.99.4111E168 P195 S196 K587E168-R559 IonicContact OE1-CZ 3.73Å; E168-R559 IonicContact OE1-NE 3.41Å; E168-R559 IonicContact OE1-NH2 3.46Å; E168-R559 PolarHBondContact OE1-NH2 3.15Å; P195-R559 PolarHBondContact O-N 3.13Å; S196-R559 WeakPolarHBondContact O-CB 3.49Å; R559-K587 PolarHBondContact O-N 3.2Å
560Q92.3Very high91.7Very high4 Ų443.2 Ų43.22%0.01921%0.206CC..EExtended strand (participates in β ladder)trans-128.3143.3173.5-67.5163.4-45.800110S196 L197 L198 K587 Y589 A599S196-Q560 WeakPolarHBondContact O-CB 3.35Å; S196-Q560 PolarHBondContact O-N 3.37Å; L197-Q560 WeakPolarHBondContact CA-O 3.41Å; L197-Q560 HydrophobicContact CD1-CB 4.01Å; L198-Q560 PolarHBondContact N-O 3.11Å; Q560-K587 WeakPolarHBondContact CA-O 3.15Å; Q560-K587 HydrophobicContact CG-CB 4.16Å; Q560-K587 HydrophobicContact CG-CD 4.39Å; Q560-Y589 HydrophobicContact CB-CE2 4.43Å; Q560-Y589 HydrophobicContact CG-CE2 4.39Å; Q560-A599 VanDerWaalsContact CD-O 3.26Å; Q560-A599 PolarHBondContact NE2-O 3.3Å; Q560-A599 PolarHBondContact OE1-O 3.22Å
561L94.6Very high91.7Very high0 Ų042 Ų420%020%0.202CC..EExtended strand (participates in β ladder)trans-129.1124.8179.5-179.966.7000108.7L198 T200 I553 P558 I563 C578 I586 K587 V588 Y589L198-L561 HydrophobicContact CB-CD1 3.92Å; L198-L561 HydrophobicContact CD2-CD1 3.81Å; L198-L561 HydrophobicContact CG-CD1 3.86Å; L198-L561 CarbonylContact O-C 3.58Å; L198-L561 WeakPolarHBondContact O-CA 3.21Å; T200-L561 HydrophobicContact CG2-CD1 3.71Å; I553-L561 HydrophobicContact CG2-CD2 4.08Å; P558-L561 HydrophobicContact CG-CB 4.46Å; P558-L561 HydrophobicContact CG-CD1 4.47Å; L561-I563 HydrophobicContact CD2-CD1 4.3Å; L561-I563 HydrophobicContact CD2-CG1 4.15Å; L561-I563 HydrophobicContact CG-CG1 4.15Å; L561-C578 HydrophobicContact CD2-CB 3.88Å; L561-I586 HydrophobicContact CB-CG2 4.34Å; L561-K587 PolarHBondContact N-O 3.17Å; L561-V588 HydrophobicContact CB-CG1 4.5Å; L561-V588 HydrophobicContact CB-CG2 4.28Å; L561-V588 HydrophobicContact CD2-CG1 4.13Å; L561-V588 HydrophobicContact CD2-CG2 4.21Å; L561-V588 HydrophobicContact CG-CG1 4.44Å; L561-V588 CarbonylContact O-C 3.49Å; L561-V588 WeakPolarHBondContact O-CA 3.31Å; L561-Y589 PolarHBondContact O-N 3.47Å
562I96.1Very high91.9Very high0 Ų038.6 Ų38.60%019%0.188CC..EExtended strand (participates in β ladder)trans-108.5121.1167.6-60.3170.3000107.3L7 L197 L198 I199 T200 V564 Y589 P591 V597 A599L7-I562 HydrophobicContact CB-CD1 3.99Å; L7-I562 HydrophobicContact CD2-CB 4.46Å; L7-I562 HydrophobicContact CD2-CD1 3.79Å; L7-I562 HydrophobicContact CD2-CG2 3.85Å; L197-I562 HydrophobicContact CD1-CB 4.46Å; L197-I562 HydrophobicContact CD1-CD1 3.63Å; L197-I562 HydrophobicContact CD1-CG1 3.68Å; L197-I562 HydrophobicContact CD2-CD1 4.12Å; L197-I562 HydrophobicContact CG-CD1 4.47Å; L198-I562 PolarHBondContact O-N 3.45Å; I199-I562 WeakPolarHBondContact CA-O 3.47Å; I199-I562 HydrophobicContact CG1-CB 4.41Å; I199-I562 HydrophobicContact CG1-CD1 4.45Å; T200-I562 PolarHBondContact N-O 3.21Å; I562-V564 HydrophobicContact CG2-CG1 3.88Å; I562-Y589 HydrophobicContact CG1-CD2 4.08Å; I562-Y589 HydrophobicContact CG1-CG 4.43Å; I562-P591 HydrophobicContact CG2-CG 3.89Å; I562-V597 HydrophobicContact CD1-CB 4.47Å; I562-V597 HydrophobicContact CD1-CG1 4.13Å; I562-V597 HydrophobicContact CG1-CG1 4.41Å; I562-A599 HydrophobicContact CD1-CB 4.32Å
563I95.6Very high92Very high2 Ų240.2 Ų40.21%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-93.5112.5173.9-61.5166.6000107T200 S202 L561 L574 A575 V588 Y589 M590T200-I563 WeakPolarHBondContact O-CA 3.03Å; S202-I563 VanDerWaalsContact CB-CG2 3.5Å; S202-I563 WeakPolarHBondContact OG-CG2 3.39Å; L561-I563 HydrophobicContact CD2-CD1 4.3Å; L561-I563 HydrophobicContact CD2-CG1 4.15Å; L561-I563 HydrophobicContact CG-CG1 4.15Å; I563-L574 HydrophobicContact CD1-CB 4.08Å; I563-L574 HydrophobicContact CD1-CD2 4.12Å; I563-L574 HydrophobicContact CD1-CG 3.95Å; I563-L574 HydrophobicContact CG1-CD2 4.16Å; I563-L574 HydrophobicContact CG2-CD2 4.28Å; I563-A575 HydrophobicContact CD1-CB 3.69Å; I563-V588 HydrophobicContact CD1-CG1 3.63Å; I563-V588 HydrophobicContact CG1-CG1 4.25Å; I563-Y589 PolarHBondContact N-O 3.06Å; I563-M590 HydrophobicContact CB-CG 4.38Å; I563-M590 HydrophobicContact CD1-CG 4.5Å
564V93.6Very high92.1Very high0 Ų040 Ų400%020%0.197CC..  trans-106.2177.3170.8-59.50000109L7 Y21 V174 I199 T200 D201 S202 I562L7-V564 HydrophobicContact CD2-CG1 4.26Å; Y21-V564 HydrophobicContact CD1-CG1 4.44Å; Y21-V564 HydrophobicContact CE1-CB 3.92Å; Y21-V564 HydrophobicContact CE1-CG1 3.94Å; Y21-V564 HydrophobicContact CE1-CG2 4.44Å; Y21-V564 HydrophobicContact CE2-CB 4.44Å; Y21-V564 HydrophobicContact CE2-CG2 4.07Å; Y21-V564 WeakPolarHBondContact OH-CB 3.23Å; V174-V564 HydrophobicContact CG1-CG2 4.11Å; I199-V564 HydrophobicContact CG2-CG1 3.9Å; I199-V564 HydrophobicContact CG2-CG2 3.92Å; T200-V564 WeakPolarHBondContact O-CG2 3.39Å; T200-V564 PolarHBondContact O-N 2.91Å; D201-V564 CarbonylContact C-O 3.58Å; D201-V564 VanDerWaalsContact CA-O 3.26Å; D201-V564 WeakPolarHBondContact CA-O 3.25Å; S202-V564 PolarHBondContact N-O 2.87Å; I562-V564 HydrophobicContact CG2-CG1 3.88Å
565H89.7Confident92.3Very high8 Ų837 Ų374%0.03718%0.18CC..SBendtrans46.2133.4171.5-165.962.7000119.4G12 E15 S17 L19 D201 S202 F203G12-H565 WeakPolarHBondContact O-CA 3.47Å; G12-H565 WeakPolarHBondContact O-CB 3.44Å; G12-H565 PolarHBondContact O-N 3.4Å; E15-H565 PolarHBondContact O-ND1 3.48Å; S17-H565 PolarHBondContact O-CE1 3.49Å; S17-H565 PolarHBondContact O-ND1 2.95Å; L19-H565 HydrophobicContact CD2-CB 3.59Å; L19-H565 WeakPolarHBondContact CD2-ND1 3.38Å; D201-H565 HydrophobicContact CB-CB 3.96Å; S202-H565 CarbonylContact C-O 3.5Å; S202-H565 WeakPolarHBondContact CA-O 3.22Å; S202-H565 PolarHBondContact N-O 3.15Å; S202-H565 PolarHBondContact OG-O 3.38Å; F203-H565 AromaticContact CD2-NE2 3.57Å; F203-H565 PolarHBondContact N-O 3.24Å
566G89.6Confident92.5Very high0 Ų036.2 Ų36.20%018%0.176CC..SBendtrans105.1174.4177.100000113.8Q14 E15Q14-G566 CarbonylContact C-O 3.55Å; Q14-G566 WeakPolarHBondContact CA-O 3.48Å; E15-G566 PolarHBondContact N-O 3.02Å; E15-G566 PolarHBondContact O-N 3.32Å
567P91.4Very high92.6Very high36 Ų3636.5 Ų36.523%0.23418%0.179CC..  trans-65.5147.1-172.6-22.733.9000112.7E16 E569 A570 S571E16-P567 HydrophobicContact CG-CG 4Å; E16-P567 WeakPolarHBondContact OE1-CG 3.33Å; P567-E569 PolarHBondContact O-N 3.26Å; P567-E569 VanDerWaalsContact O-N 3.13Å; P567-A570 HydrophobicContact CB-CB 4.46Å; P567-A570 PolarHBondContact O-N 3.16Å; P567-S571 PolarHBondContact O-N 2.71Å; P567-S571 PolarHBondContact O-OG 2.96Å
568P92.4Very high92.7Very high74 Ų7431.1 Ų31.148%0.48116%0.157SC..Hα-helixtrans-56.1-35.1179.5-25.434.1000113.6Q14 Q572Q14-P568 HydrophobicContact CB-CG 4.04Å; Q14-P568 WeakPolarHBondContact O-CD 3.26Å; P568-Q572 WeakPolarHBondContact O-CB 3.35Å; P568-Q572 PolarHBondContact O-N 3.45Å
569E92.9Very high92.6Very high167 Ų16736 Ų3678%0.7818%0.175SC*.Hα-helixtrans-64.1-42.3177.4-59.9-171.7170.100111.8P567 D573P567-E569 PolarHBondContact O-N 3.26Å; P567-E569 VanDerWaalsContact O-N 3.13Å; E569-D573 PolarHBondContact O-N 3.2Å; E569-D573 VanDerWaalsContact O-N 3.1Å
570A93.5Very high92.5Very high1 Ų135.8 Ų35.81%0.00819%0.192CC..Hα-helixtrans-72.9-39.2179.600000111.7S202 A205 T206 P567 Q572 D573 L574S202-A570 WeakPolarHBondContact O-CB 3.29Å; A205-A570 HydrophobicContact CB-CB 4.24Å; A205-A570 WeakPolarHBondContact CB-O 3.42Å; T206-A570 HydrophobicContact CG2-CB 4.15Å; P567-A570 HydrophobicContact CB-CB 4.46Å; P567-A570 PolarHBondContact O-N 3.16Å; A570-Q572 VanDerWaalsContact C-N 3.33Å; A570-Q572 PolarHBondContact O-N 3.09Å; A570-D573 PolarHBondContact O-N 3.49Å; A570-L574 PolarHBondContact O-N 2.63Å
571S94.2Very high91.8Very high9 Ų941.9 Ų41.96%0.06322%0.219CC..Hα-helixtrans-61.4-42.1173.8-50.60000111.9S202 P567 L574 A575S202-S571 WeakPolarHBondContact OG-CA 3.38Å; S202-S571 WeakPolarHBondContact OG-CB 3.44Å; S202-S571 PolarHBondContact OG-OG 3.21Å; P567-S571 PolarHBondContact O-N 2.71Å; P567-S571 PolarHBondContact O-OG 2.96Å; S571-L574 PolarHBondContact O-N 2.92Å; S571-A575 VanDerWaalsContact O-CB 3.3Å; S571-A575 WeakPolarHBondContact O-CB 3.41Å; S571-A575 PolarHBondContact O-N 3.44Å
572Q94.4Very high90.5Very high74 Ų7442.9 Ų42.935%0.34623%0.228SC..Hα-helixtrans-65-45.3177.9-176.667.615.400111.7P568 A570 L574 A575 E576P568-Q572 WeakPolarHBondContact O-CB 3.35Å; P568-Q572 PolarHBondContact O-N 3.45Å; A570-Q572 VanDerWaalsContact C-N 3.33Å; A570-Q572 PolarHBondContact O-N 3.09Å; Q572-L574 PolarHBondContact O-N 3.02Å; Q572-A575 PolarHBondContact O-N 2.91Å; Q572-E576 PolarHBondContact NE2-OE1 2.98Å; Q572-E576 WeakPolarHBondContact O-CG 3.5Å; Q572-E576 PolarHBondContact O-N 3.01Å
573D94.4Very high89Confident60 Ų6045 Ų4532%0.32125%0.25SC..Hα-helixtrans-60.1-43.9177.2174.173.7000112T206 K550 E569 A570 A575 C577T206-D573 HydrophobicContact CG2-CB 3.76Å; K550-D573 WeakPolarHBondContact CE-OD2 3.49Å; K550-D573 IonicContact NZ-OD1 3.72Å; K550-D573 IonicContact NZ-OD2 3.08Å; K550-D573 PolarHBondContact NZ-OD2 3.5Å; E569-D573 PolarHBondContact O-N 3.2Å; E569-D573 VanDerWaalsContact O-N 3.1Å; A570-D573 PolarHBondContact O-N 3.49Å; D573-A575 PolarHBondContact O-N 3Å; D573-C577 VanDerWaalsContact O-CB 3.23Å; D573-C577 WeakPolarHBondContact O-CB 3.42Å; D573-C577 PolarHBondContact O-N 3.1Å; D573-C577 VanDerWaalsContact O-N 3.09Å
574L94.1Very high87.4Confident0 Ų055 Ų550%029%0.293CS..Hα-helixtrans-63.6-42174.5-172.758.4000111.8A205 I549 K550 I553 I563 A570 S571 Q572 C577 C578A205-L574 HydrophobicContact CB-CB 3.87Å; A205-L574 HydrophobicContact CB-CD2 4.37Å; A205-L574 HydrophobicContact CB-CG 4.49Å; I549-L574 HydrophobicContact CD1-CD2 4.27Å; K550-L574 HydrophobicContact CG-CD1 3.63Å; I553-L574 HydrophobicContact CD1-CD1 4.1Å; I553-L574 HydrophobicContact CD1-CD2 4.29Å; I563-L574 HydrophobicContact CD1-CB 4.08Å; I563-L574 HydrophobicContact CD1-CD2 4.12Å; I563-L574 HydrophobicContact CD1-CG 3.95Å; I563-L574 HydrophobicContact CG1-CD2 4.16Å; I563-L574 HydrophobicContact CG2-CD2 4.28Å; A570-L574 PolarHBondContact O-N 2.63Å; S571-L574 PolarHBondContact O-N 2.92Å; Q572-L574 PolarHBondContact O-N 3.02Å; L574-C577 WeakPolarHBondContact O-CB 3.34Å; L574-C577 PolarHBondContact O-N 2.95Å; L574-C578 WeakPolarHBondContact O-CB 3.45Å; L574-C578 PolarHBondContact O-N 3.31Å; L574-C578 PolarHBondContact O-SG 3.29Å
575A93.4Very high86.4Confident0 Ų060.6 Ų60.60%032%0.324CS..Hα-helixtrans-66.1-43.9-178.800000112.6I563 S571 Q572 D573 C578 R579 V588 M590I563-A575 HydrophobicContact CD1-CB 3.69Å; S571-A575 VanDerWaalsContact O-CB 3.3Å; S571-A575 WeakPolarHBondContact O-CB 3.41Å; S571-A575 PolarHBondContact O-N 3.44Å; Q572-A575 PolarHBondContact O-N 2.91Å; D573-A575 PolarHBondContact O-N 3Å; A575-C578 PolarHBondContact O-N 3.26Å; A575-R579 WeakPolarHBondContact O-CB 3.46Å; A575-R579 VanDerWaalsContact O-CG 3.25Å; A575-R579 WeakPolarHBondContact O-CG 3.19Å; A575-R579 PolarHBondContact O-N 3.08Å; A575-V588 HydrophobicContact CB-CG1 3.87Å; A575-M590 HydrophobicContact CB-CE 4.26Å; A575-M590 HydrophobicContact CB-CG 4.18Å; A575-M590 HydrophobicContact CB-SD 3.44Å; A575-M590 WeakPolarHBondContact CB-SD 3.43Å
576E92.4Very high86.2Confident108 Ų10861.2 Ų61.251%0.50533%0.327SS..Hα-helixtrans-63.2-43.7176.5-73.4-176.9-173.500111.4Q572 R579 A580Q572-E576 PolarHBondContact NE2-OE1 2.98Å; Q572-E576 WeakPolarHBondContact O-CG 3.5Å; Q572-E576 PolarHBondContact O-N 3.01Å; E576-R579 PolarHBondContact O-N 3.28Å; E576-A580 VanDerWaalsContact O-CB 3.31Å; E576-A580 WeakPolarHBondContact O-CB 3.45Å; E576-A580 PolarHBondContact O-N 3.35Å
577C91.2Very high86.2Confident18 Ų1866.7 Ų66.712%0.12235%0.351CS..Hα-helixtrans-57.9-49.5174.9179.20000112.2K550 D573 L574 R579 A580 F581K550-C577 HydrophobicContact CD-CB 4.28Å; K550-C577 HydrophobicContact CG-CB 4.38Å; D573-C577 VanDerWaalsContact O-CB 3.23Å; D573-C577 WeakPolarHBondContact O-CB 3.42Å; D573-C577 PolarHBondContact O-N 3.1Å; D573-C577 VanDerWaalsContact O-N 3.09Å; L574-C577 WeakPolarHBondContact O-CB 3.34Å; L574-C577 PolarHBondContact O-N 2.95Å; C577-R579 PolarHBondContact O-N 2.99Å; C577-A580 PolarHBondContact O-N 3.22Å; C577-F581 VanDerWaalsContact O-CD2 3.27Å; C577-F581 WeakPolarHBondContact O-CD2 3.48Å; C577-F581 PolarHBondContact O-N 2.78Å; C577-F581 WeakPolarHBondContact SG-CD2 3.25Å; C577-F581 WeakPolarHBondContact SG-CE2 3.25Å
578C90.1Very high86.3Confident8 Ų865.8 Ų65.85%0.05434%0.344CS..Hα-helixtrans-65.7-37.8-179.4-660000112.3L561 L574 A575 G582 V588L561-C578 HydrophobicContact CD2-CB 3.88Å; L574-C578 WeakPolarHBondContact O-CB 3.45Å; L574-C578 PolarHBondContact O-N 3.31Å; L574-C578 PolarHBondContact O-SG 3.29Å; A575-C578 PolarHBondContact O-N 3.26Å; C578-G582 WeakPolarHBondContact O-CA 3.22Å; C578-G582 PolarHBondContact O-N 2.91Å; C578-V588 HydrophobicContact CB-CG2 4.03Å
579R89.6Confident86.5Confident102 Ų10265.3 Ų65.339%0.38533%0.333SS..Hα-helixtrans-67.8-35.2174.4-70.6173.8-168132.74112.3A575 E576 C577 V588A575-R579 WeakPolarHBondContact O-CB 3.46Å; A575-R579 VanDerWaalsContact O-CG 3.25Å; A575-R579 WeakPolarHBondContact O-CG 3.19Å; A575-R579 PolarHBondContact O-N 3.08Å; E576-R579 PolarHBondContact O-N 3.28Å; C577-R579 PolarHBondContact O-N 2.99Å; R579-V588 HydrophobicContact CG-CB 4.22Å; R579-V588 HydrophobicContact CG-CG2 3.89Å; R579-V588 PolarHBondContact NH2-O 2.97Å; R579-V588 VanDerWaalsContact NH2-O 3.14Å
580A87Confident86.5Confident80 Ų8060.1 Ų60.166%0.66131%0.31SS*.Hα-helixtrans-71.6-43.4179.500000112.4E576 C577E576-A580 VanDerWaalsContact O-CB 3.31Å; E576-A580 WeakPolarHBondContact O-CB 3.45Å; E576-A580 PolarHBondContact O-N 3.35Å; C577-A580 PolarHBondContact O-N 3.22Å
581F77.2Confident86.5Confident133 Ų13360.2 Ų60.258%0.58331%0.31SS*.Hα-helixtrans-85.4-31.5-177.7-66-51.2000114.1C577 G583C577-F581 VanDerWaalsContact O-CD2 3.27Å; C577-F581 WeakPolarHBondContact O-CD2 3.48Å; C577-F581 PolarHBondContact O-N 2.78Å; C577-F581 WeakPolarHBondContact SG-CD2 3.25Å; C577-F581 WeakPolarHBondContact SG-CE2 3.25Å; F581-G583 VanDerWaalsContact C-N 3.32Å; F581-G583 PolarHBondContact O-N 2.82Å
582G67.2Low86.5Confident20 Ų2065.9 Ų65.921%0.20633%0.334CS..SBendtrans-75.6-10.7-173.800000116.1C578C578-G582 WeakPolarHBondContact O-CA 3.22Å; C578-G582 PolarHBondContact O-N 2.91Å
583G64.5Low86.3Confident44 Ų4466.6 Ų66.645%0.45434%0.34SS..G310 helixtrans72.8-165.9-171.800000112.9F581 D585F581-G583 VanDerWaalsContact C-N 3.32Å; F581-G583 PolarHBondContact O-N 2.82Å; G583-D585 PolarHBondContact O-N 3.45Å
584K63.3Low86.1Confident212 Ų21268.4 Ų68.492%0.92235%0.346SS*.G310 helixtrans-71.6-4.6-178.1-71.4-174.5177.8178.90114.3
585D71.3Confident86.1Confident119 Ų11972.3 Ų72.364%0.63636%0.364SS*.G310 helixtrans-101.9-11.9-163.4-56.8-20.2000113.8G583G583-D585 PolarHBondContact O-N 3.45Å
586I86.4Confident86.1Confident20 Ų2075.8 Ų75.810%0.10339%0.386CS..  trans-94.9118.2176.8-52.9-169.1000110.1P558 L561 V588P558-I586 WeakPolarHBondContact O-CG1 3.49Å; L561-I586 HydrophobicContact CB-CG2 4.34Å; I586-V588 HydrophobicContact CG2-CG2 3.86Å
587K90.1Very high86.2Confident115 Ų11571.1 Ų71.150%0.537%0.365SS..EExtended strand (participates in β ladder)trans-89.3114.6171.2-60.2175.9-174.2171.80109.3R559 Q560 L561 Y589R559-K587 PolarHBondContact O-N 3.2Å; Q560-K587 WeakPolarHBondContact CA-O 3.15Å; Q560-K587 HydrophobicContact CG-CB 4.16Å; Q560-K587 HydrophobicContact CG-CD 4.39Å; L561-K587 PolarHBondContact N-O 3.17Å; K587-Y589 HydrophobicContact CB-CE2 3.85Å
588V93.6Very high86.3Confident17 Ų1774.1 Ų74.110%0.10338%0.379CS..EExtended strand (participates in β ladder)trans-107122.8-179.3-174.50000110.9L561 I563 A575 C578 R579 I586L561-V588 HydrophobicContact CB-CG1 4.5Å; L561-V588 HydrophobicContact CB-CG2 4.28Å; L561-V588 HydrophobicContact CD2-CG1 4.13Å; L561-V588 HydrophobicContact CD2-CG2 4.21Å; L561-V588 HydrophobicContact CG-CG1 4.44Å; L561-V588 CarbonylContact O-C 3.49Å; L561-V588 WeakPolarHBondContact O-CA 3.31Å; I563-V588 HydrophobicContact CD1-CG1 3.63Å; I563-V588 HydrophobicContact CG1-CG1 4.25Å; A575-V588 HydrophobicContact CB-CG1 3.87Å; C578-V588 HydrophobicContact CB-CG2 4.03Å; R579-V588 HydrophobicContact CG-CB 4.22Å; R579-V588 HydrophobicContact CG-CG2 3.89Å; R579-V588 PolarHBondContact NH2-O 2.97Å; R579-V588 VanDerWaalsContact NH2-O 3.14Å; I586-V588 HydrophobicContact CG2-CG2 3.86Å
589Y94.8Very high86.2Confident64 Ų6473.8 Ų73.825%0.25138%0.377SS..EExtended strand (participates in β ladder)trans-110.7144.2179.8-56.3-89.2000111.5Q560 L561 I562 I563 K587 V597Q560-Y589 HydrophobicContact CB-CE2 4.43Å; Q560-Y589 HydrophobicContact CG-CE2 4.39Å; L561-Y589 PolarHBondContact O-N 3.47Å; I562-Y589 HydrophobicContact CG1-CD2 4.08Å; I562-Y589 HydrophobicContact CG1-CG 4.43Å; I563-Y589 PolarHBondContact N-O 3.06Å; K587-Y589 HydrophobicContact CB-CE2 3.85Å; Y589-V597 HydrophobicContact CD1-CG1 3.57Å; Y589-V597 HydrophobicContact CD2-CG1 4.11Å; Y589-V597 HydrophobicContact CE1-CG1 3.97Å; Y589-V597 HydrophobicContact CE2-CG1 4.49Å; Y589-V597 HydrophobicContact CG-CG1 3.64Å
590M94.1Very high86.1Confident59 Ų5970.8 Ų70.829%0.29137%0.37SS..  trans-131.980.9173.9-64.7174.2-56.200107.7I563 A575I563-M590 HydrophobicContact CB-CG 4.38Å; I563-M590 HydrophobicContact CD1-CG 4.5Å; A575-M590 HydrophobicContact CB-CE 4.26Å; A575-M590 HydrophobicContact CB-CG 4.18Å; A575-M590 HydrophobicContact CB-SD 3.44Å; A575-M590 WeakPolarHBondContact CB-SD 3.43Å
591P94.2Very high85.5Confident2 Ų268.2 Ų68.21%0.01335%0.348CS..PPolyproline II helixtrans-60153.2-179.821.7-31.2000112.2T9 V13 I562 E595 V597T9-P591 HydrophobicContact CG2-CB 3.85Å; T9-P591 HydrophobicContact CG2-CG 3.64Å; V13-P591 HydrophobicContact CG2-CG 4.35Å; V13-P591 WeakPolarHBondContact CG2-O 3.43Å; I562-P591 HydrophobicContact CG2-CG 3.89Å; P591-E595 HydrophobicContact CB-CB 4.32Å; P591-V597 HydrophobicContact CB-CG2 3.76Å; P591-V597 HydrophobicContact CG-CG2 4.25Å
592K92.7Very high85Confident128 Ų12870.3 Ų70.356%0.55736%0.359SS*.PPolyproline II helixtrans-90.9172.6165-66.4173.5-178.2-178.20110.7T9 V13 H594 E595T9-K592 PolarHBondContact OG1-O 2.84Å; V13-K592 VanDerWaalsContact CG1-C 3.49Å; K592-H594 PolarHBondContact O-N 3.46Å; K592-E595 HydrophobicContact CB-CB 4.25Å; K592-E595 WeakPolarHBondContact CB-OE2 3.31Å; K592-E595 PolarHBondContact N-OE2 3.15Å; K592-E595 VanDerWaalsContact O-CB 3.28Å; K592-E595 WeakPolarHBondContact O-CB 3.27Å; K592-E595 PolarHBondContact O-N 3.34Å; K592-E595 VanDerWaalsContact O-N 3.13Å
593L91.7Very high84.8Confident90 Ų9072 Ų7247%0.47137%0.365SS..THydrogen-bonded Turntrans-60.4131.3174.3-166.776.5000110.3L10 V13 E595L10-L593 WeakPolarHBondContact O-CD1 3.46Å; V13-L593 VanDerWaalsContact CG1-CA 3.46Å; V13-L593 HydrophobicContact CG1-CB 3.95Å; V13-L593 HydrophobicContact CG1-CD1 4.03Å; V13-L593 VanDerWaalsContact CG1-N 3.26Å; L593-E595 PolarHBondContact O-N 3.16Å
594H90.3Very high84.9Confident97 Ų9776.7 Ų76.745%0.44938%0.375SS..THydrogen-bonded Turntrans63.216.9-174.7-53.597.3000115.4T9 S47 K592T9-H594 WeakPolarHBondContact O-CA 3.37Å; T9-H594 PolarHBondContact O-N 2.97Å; S47-H594 WeakPolarHBondContact CB-NE2 3.41Å; S47-H594 PolarHBondContact OG-CD2 3.05Å; S47-H594 PolarHBondContact OG-NE2 2.97Å; K592-H594 PolarHBondContact O-N 3.46Å
595E93.3Very high85Confident82 Ų8270.9 Ų70.938%0.38335%0.353SS..PPolyproline II helixtrans-88.1133.8174.7-169.7175.5171.400110.4T9 P591 K592 L593T9-E595 PolarHBondContact N-O 3.39Å; T9-E595 PolarHBondContact OG1-N 3.37Å; T9-E595 PolarHBondContact OG1-O 3.03Å; P591-E595 HydrophobicContact CB-CB 4.32Å; K592-E595 HydrophobicContact CB-CB 4.25Å; K592-E595 WeakPolarHBondContact CB-OE2 3.31Å; K592-E595 PolarHBondContact N-OE2 3.15Å; K592-E595 VanDerWaalsContact O-CB 3.28Å; K592-E595 WeakPolarHBondContact O-CB 3.27Å; K592-E595 PolarHBondContact O-N 3.34Å; K592-E595 VanDerWaalsContact O-N 3.13Å; L593-E595 PolarHBondContact O-N 3.16Å
596T94.3Very high85Confident74 Ų7473.2 Ų73.245%0.45435%0.354SS..EExtended strand (participates in β ladder)trans-96.4120171.4-55.90000109.6K6 L7 T8K6-T596 HydrophobicContact CB-CG2 4.02Å; K6-T596 HydrophobicContact CD-CG2 4.44Å; L7-T596 CarbonylContact O-C 3.52Å; L7-T596 WeakPolarHBondContact O-CA 3.42Å; T8-T596 WeakPolarHBondContact OG1-CG2 3.28Å; T8-T596 PolarHBondContact OG1-OG1 2.95Å
597V94.4Very high84.3Confident10 Ų1078.7 Ų78.76%0.06138%0.38CS..EExtended strand (participates in β ladder)trans-94.9122.9172.6174.10000108.9K6 L7 I562 Y589 P591 A599K6-V597 WeakPolarHBondContact CA-O 3.31Å; L7-V597 PolarHBondContact N-O 3.38Å; L7-V597 PolarHBondContact O-N 3.09Å; I562-V597 HydrophobicContact CD1-CB 4.47Å; I562-V597 HydrophobicContact CD1-CG1 4.13Å; I562-V597 HydrophobicContact CG1-CG1 4.41Å; Y589-V597 HydrophobicContact CD1-CG1 3.57Å; Y589-V597 HydrophobicContact CD2-CG1 4.11Å; Y589-V597 HydrophobicContact CE1-CG1 3.97Å; Y589-V597 HydrophobicContact CE2-CG1 4.49Å; Y589-V597 HydrophobicContact CG-CG1 3.64Å; P591-V597 HydrophobicContact CB-CG2 3.76Å; P591-V597 HydrophobicContact CG-CG2 4.25Å; V597-A599 PolarHBondContact O-N 2.87Å
598D92.4Very high83.8Confident80 Ų8075 Ų7543%0.42837%0.367SS..EExtended strand (participates in β ladder)trans-85.4105.6168.8-162.2-25000109.3K6 T600K6-D598 WeakPolarHBondContact CE-OD2 3.35Å; K6-D598 HydrophobicContact CG-CB 4.45Å; K6-D598 IonicContact NZ-OD2 3.96Å; D598-T600 WeakPolarHBondContact OD1-CB 3.32Å; D598-T600 PolarHBondContact OD1-N 3.39Å; D598-T600 PolarHBondContact OD1-OG1 3.21Å
599A88.8Confident83.2Confident1 Ų180 Ų801%0.00838%0.384CS..  trans-100.217.4178.200000111.5I5 L197 Q560 I562 V597 S601I5-A599 HydrophobicContact CG2-CB 4.43Å; I5-A599 CarbonylContact O-C 3.54Å; I5-A599 PolarHBondContact O-N 3.45Å; L197-A599 HydrophobicContact CD1-CB 4.22Å; L197-A599 HydrophobicContact CD2-CB 4.06Å; Q560-A599 VanDerWaalsContact CD-O 3.26Å; Q560-A599 PolarHBondContact NE2-O 3.3Å; Q560-A599 PolarHBondContact OE1-O 3.22Å; I562-A599 HydrophobicContact CD1-CB 4.32Å; V597-A599 PolarHBondContact O-N 2.87Å; A599-S601 PolarHBondContact O-N 3.01Å
600T86.1Confident82.7Confident39 Ų3980.7 Ų80.724%0.23939%0.391CS..  trans-63.6128.5177.6-52.40000110.8T2 S3 I5 D598T2-T600 HydrophobicContact CG2-CG2 4.47Å; S3-T600 VanDerWaalsContact O-CG2 3.24Å; S3-T600 WeakPolarHBondContact O-CG2 3.32Å; I5-T600 PolarHBondContact N-OG1 3.05Å; I5-T600 PolarHBondContact O-N 3.38Å; D598-T600 WeakPolarHBondContact OD1-CB 3.32Å; D598-T600 PolarHBondContact OD1-N 3.39Å; D598-T600 PolarHBondContact OD1-OG1 3.21Å
601S75.2Confident82.1Confident27 Ų2782.3 Ų82.319%0.18940%0.397CS..  trans-106.4124.7175.2175.10000109.7T2 A599 T603T2-S601 WeakPolarHBondContact CG2-O 3.4Å; A599-S601 PolarHBondContact O-N 3.01Å; S601-T603 PolarHBondContact O-N 3.19Å
602E66.6Low81.4Confident177 Ų17788.3 Ų88.383%0.82743%0.428SS*.  trans-72.361.2176-65.4178.2-177.500112.2
603T63.1Low80.7Confident54 Ų5484.9 Ų84.933%0.33142%0.421SS..  trans-103.899.717040.60000108.4S601 I605S601-T603 PolarHBondContact O-N 3.19Å; T603-I605 PolarHBondContact O-N 3.01Å
604H66.4Low80.1Confident144 Ų14480.8 Ų80.867%0.66740%0.399SS*.  trans-71.294.3171.3-65.4-58.6000109.2T2T2-H604 PolarHBondContact OG1-CE1 2.89Å; T2-H604 PolarHBondContact OG1-ND1 2.95Å
605I65.4Low79.5Confident90 Ų9079.4 Ų79.446%0.46240%0.398SS..  trans-86.4124.4171.4-55.7170.3000107.2G166 T603G166-I605 WeakPolarHBondContact O-CD1 3.36Å; G166-I605 VanDerWaalsContact O-CG2 3.26Å; G166-I605 WeakPolarHBondContact O-CG2 3.42Å; T603-I605 PolarHBondContact O-N 3.01Å
606Y70.6Confident78.8Confident167 Ų16780.6 Ų80.666%0.65542%0.415SS*.  trans-121.5137.417453.6-96.7000108.6V608Y606-V608 HydrophobicContact CD2-CG2 3.5Å; Y606-V608 VanDerWaalsContact CD2-CG2 3.5Å; Y606-V608 HydrophobicContact CE2-CG2 3.66Å
607Q72.1Confident77.8Confident136 Ų13680.1 Ų80.164%0.63642%0.415SS*.  trans-84119.4175-169.4176.49.400109.1I697 P698Q607-I697 HydrophobicContact CG-CG2 4.42Å; Q607-P698 WeakPolarHBondContact O-CD 3.01Å; Q607-P698 WeakPolarHBondContact O-CG 3.45Å
608V79.7Confident77Confident38 Ų3881 Ų8123%0.2342%0.419CS..  trans-117.6131.2171.6167.30000108.9Y606 L635 P698 L700Y606-V608 HydrophobicContact CD2-CG2 3.5Å; Y606-V608 VanDerWaalsContact CD2-CG2 3.5Å; Y606-V608 HydrophobicContact CE2-CG2 3.66Å; V608-L635 HydrophobicContact CG1-CD2 3.87Å; V608-L635 HydrophobicContact CG2-CD2 3.8Å; V608-P698 WeakPolarHBondContact CA-O 3.35Å; V608-P698 HydrophobicContact CG2-CB 4.2Å; V608-P698 HydrophobicContact CG2-CG 3.59Å; V608-L700 HydrophobicContact CG1-CB 3.81Å; V608-L700 HydrophobicContact CG1-CD1 4Å
609R81.8Confident76.1Confident122 Ų12285.3 Ų85.346%0.4644%0.436SS..EExtended strand (participates in β ladder)trans-93.5128.9175.5-173.6179.1-67.1176.2-0.7110.1I697 P698 T699 L700R609-I697 HydrophobicContact CB-CG2 4.43Å; R609-P698 PolarHBondContact N-O 2.74Å; R609-T699 HydrophobicContact CB-CG2 4.39Å; R609-T699 CarbonylContact O-C 3.56Å; R609-T699 VanDerWaalsContact O-CA 3.26Å; R609-T699 WeakPolarHBondContact O-CA 3.5Å; R609-L700 PolarHBondContact O-N 3.46Å
610L83.4Confident75.5Confident77 Ų7790.7 Ų90.740%0.40346%0.46SS..EExtended strand (participates in β ladder)trans-77.1130.1172-56.4179.1000109.3L614 V615 I631 L700L610-L614 HydrophobicContact CD2-CD2 3.97Å; L610-V615 HydrophobicContact CB-CG2 4Å; L610-I631 HydrophobicContact CD1-CD1 4.48Å; L610-L700 HydrophobicContact CD2-CB 3.94Å; L610-L700 HydrophobicContact CD2-CD1 4.44Å; L610-L700 HydrophobicContact CD2-CD2 4.37Å; L610-L700 HydrophobicContact CD2-CG 4.5Å
611K82.9Confident74.9Confident94 Ų9491 Ų9141%0.40946%0.463SS..PPolyproline II helixtrans-76.6144175.9-168170.1178.4166.60110.4S613 L614 V615 L700 E701K611-S613 PolarHBondContact O-N 3.23Å; K611-S613 VanDerWaalsContact O-N 3.08Å; K611-L614 WeakPolarHBondContact O-CB 3.16Å; K611-L614 PolarHBondContact O-N 3.18Å; K611-V615 PolarHBondContact O-N 3.18Å; K611-L700 WeakPolarHBondContact CB-O 3.09Å; K611-L700 PolarHBondContact N-O 2.82Å; K611-E701 HydrophobicContact CD-CG 4.1Å; K611-E701 IonicContact NZ-OE1 3.19Å; K611-E701 PolarHBondContact NZ-OE1 3.38Å
612D78.2Confident74.4Confident127 Ų12797.7 Ų97.768%0.67949%0.489SS*.Hα-helixtrans-56.1-31.7-177.2-64.7-25.1000113.7L614 V615 S616D612-L614 VanDerWaalsContact C-N 3.3Å; D612-L614 PolarHBondContact O-N 3.25Å; D612-V615 PolarHBondContact O-N 2.95Å; D612-S616 WeakPolarHBondContact O-CB 3.19Å; D612-S616 PolarHBondContact O-N 2.93Å; D612-S616 PolarHBondContact O-OG 3.16Å
613S77.5Confident74.3Confident56 Ų5690 Ų9039%0.39246%0.455SS..Hα-helixtrans-63.7-34.1175.755.50000113K611 S617K611-S613 PolarHBondContact O-N 3.23Å; K611-S613 VanDerWaalsContact O-N 3.08Å; S613-S617 PolarHBondContact O-N 3.06Å
614L78.9Confident74.4Confident5 Ų594.6 Ų94.63%0.02647%0.471CS..Hα-helixtrans-75-46.8176.6-178.176.1000110.5L610 K611 D612 S616 S617 L618 I631 L700 P702L610-L614 HydrophobicContact CD2-CD2 3.97Å; K611-L614 WeakPolarHBondContact O-CB 3.16Å; K611-L614 PolarHBondContact O-N 3.18Å; D612-L614 VanDerWaalsContact C-N 3.3Å; D612-L614 PolarHBondContact O-N 3.25Å; L614-S616 PolarHBondContact O-N 2.78Å; L614-S617 WeakPolarHBondContact O-CA 3.46Å; L614-S617 WeakPolarHBondContact O-CB 3.32Å; L614-S617 PolarHBondContact O-N 3.03Å; L614-S617 PolarHBondContact O-OG 2.91Å; L614-L618 PolarHBondContact O-N 2.75Å; L614-I631 HydrophobicContact CD1-CG2 4.31Å; L614-I631 HydrophobicContact CD2-CG2 3.71Å; L614-I631 HydrophobicContact CG-CG2 4.22Å; L614-L700 HydrophobicContact CD1-CD2 4.49Å; L614-L700 HydrophobicContact CD2-CB 4.31Å; L614-L700 HydrophobicContact CD2-CD2 3.26Å; L614-L700 HydrophobicContact CD2-CG 4.39Å; L614-L700 HydrophobicContact CG-CD2 4.49Å; L614-P702 HydrophobicContact CD1-CB 3.89Å
615V77.8Confident74.3Confident68 Ų6895.9 Ų95.941%0.41248%0.482SS..Hα-helixtrans-57.5-40.4178.4-179.70000110.7L610 K611 D612 S617 L618L610-V615 HydrophobicContact CB-CG2 4Å; K611-V615 PolarHBondContact O-N 3.18Å; D612-V615 PolarHBondContact O-N 2.95Å; V615-S617 PolarHBondContact O-N 2.94Å; V615-L618 PolarHBondContact O-N 3.38Å
616S78.4Confident74.3Confident106 Ų10694.5 Ų94.574%0.74148%0.484SS*.THydrogen-bonded Turntrans-68.9-17.9177-56.90000114.1D612 L614D612-S616 WeakPolarHBondContact O-CB 3.19Å; D612-S616 PolarHBondContact O-N 2.93Å; D612-S616 PolarHBondContact O-OG 3.16Å; L614-S616 PolarHBondContact O-N 2.78Å
617S74.4Confident74.7Confident65 Ų6592.9 Ų92.946%0.45548%0.483SS..THydrogen-bonded Turntrans-91.8-8.1179.472.20000114S613 L614 V615 Q619S613-S617 PolarHBondContact O-N 3.06Å; L614-S617 WeakPolarHBondContact O-CA 3.46Å; L614-S617 WeakPolarHBondContact O-CB 3.32Å; L614-S617 PolarHBondContact O-N 3.03Å; L614-S617 PolarHBondContact O-OG 2.91Å; V615-S617 PolarHBondContact O-N 2.94Å; S617-Q619 PolarHBondContact O-N 3.29Å
618L77.6Confident74.7Confident29 Ų2988.9 Ų88.915%0.15247%0.465CS..  trans-69128.1-177.1-62.9-177.3000111.6L614 V615 F620 A629 I631L614-L618 PolarHBondContact O-N 2.75Å; V615-L618 PolarHBondContact O-N 3.38Å; L618-F620 HydrophobicContact CB-CD2 4.47Å; L618-F620 HydrophobicContact CB-CE2 3.88Å; L618-F620 HydrophobicContact CB-CZ 4.07Å; L618-F620 HydrophobicContact CD1-CZ 4.11Å; L618-A629 HydrophobicContact CB-CB 4.04Å; L618-A629 HydrophobicContact CD1-CB 4.42Å; L618-A629 HydrophobicContact CD2-CB 4.45Å; L618-I631 HydrophobicContact CD1-CD1 3.8Å; L618-I631 HydrophobicContact CD1-CG1 4.28Å; L618-I631 HydrophobicContact CD2-CB 4.32Å; L618-I631 HydrophobicContact CD2-CD1 4.03Å; L618-I631 HydrophobicContact CD2-CG1 3.63Å; L618-I631 HydrophobicContact CD2-CG2 4.33Å
619Q73.5Confident74.5Confident169 Ų16988.3 Ų88.379%0.7947%0.465SS*.  trans-97109.7171.5-65.5-172.1-1.200109.1S617S617-Q619 PolarHBondContact O-N 3.29Å
620F76.9Confident74.3Confident115 Ų11588.4 Ų88.450%0.50447%0.465SS..PPolyproline II helixtrans-83.8122.9179.4-67.8-82.8000111.2L618 E627 L628 A629L618-F620 HydrophobicContact CB-CD2 4.47Å; L618-F620 HydrophobicContact CB-CE2 3.88Å; L618-F620 HydrophobicContact CB-CZ 4.07Å; L618-F620 HydrophobicContact CD1-CZ 4.11Å; F620-E627 HydrophobicContact CB-CB 4.24Å; F620-E627 HydrophobicContact CD1-CB 3.94Å; F620-E627 HydrophobicContact CG-CB 4.44Å; F620-L628 CarbonylContact C-O 3.59Å; F620-L628 WeakPolarHBondContact CA-O 3.29Å; F620-A629 HydrophobicContact CD1-CB 3.75Å; F620-A629 HydrophobicContact CE1-CB 3.79Å; F620-A629 HydrophobicContact CG-CB 4.33Å; F620-A629 HydrophobicContact CZ-CB 4.39Å
621C71.9Confident74Confident44 Ų4488.1 Ų88.130%0.29746%0.463SS..EExtended strand (participates in β ladder)trans-98127.2169.8-65.10000109.6A623 L628 V782C621-A623 PolarHBondContact O-N 2.85Å; C621-L628 PolarHBondContact N-O 3.43Å; C621-L628 PolarHBondContact O-N 3.24Å; C621-V782 HydrophobicContact CB-CG2 3.77Å
622K66.2Low73.8Confident169 Ų16986.2 Ų86.274%0.73546%0.458SS*.EExtended strand (participates in β ladder)trans-78.6116.2-179.1-168.6172.3-176.3171.20111
623A63.4Low73.8Confident15 Ų1581.5 Ų81.512%0.12444%0.439CS..EExtended strand (participates in β ladder)trans-114.694.5176.800000110.2C621 D625 A626 A780C621-A623 PolarHBondContact O-N 2.85Å; A623-D625 PolarHBondContact O-N 2.88Å; A623-A626 CarbonylContact C-O 3.43Å; A623-A626 PolarHBondContact N-O 3.43Å; A623-A626 PolarHBondContact O-N 2.63Å; A623-A780 HydrophobicContact CB-CB 3.7Å
624K66.3Low74.1Confident151 Ų15182.1 Ų82.166%0.65744%0.44SS*.THydrogen-bonded Turntrans51.6-92-179.3-65.2-178.4177.5176.40113.7N717K624-N717 WeakPolarHBondContact CE-OD1 3.49Å
625D62.7Low74.3Confident171 Ų17186 Ų8691%0.91446%0.46SS*.THydrogen-bonded Turntrans-106.10-176.2-62-29.3000113.4A623A623-D625 PolarHBondContact O-N 2.88Å
626A66.9Low74.5Confident60 Ų6084.5 Ų84.550%0.49645%0.45SS..EExtended strand (participates in β ladder)trans-131.7161.3-179.600000112.2A623A623-A626 CarbonylContact C-O 3.43Å; A623-A626 PolarHBondContact N-O 3.43Å; A623-A626 PolarHBondContact O-N 2.63Å
627E77.9Confident74.4Confident134 Ų13485.2 Ų85.263%0.62644%0.443SS*.EExtended strand (participates in β ladder)trans-105.7138.1169.4-65.4-171.9166.600109F620F620-E627 HydrophobicContact CB-CB 4.24Å; F620-E627 HydrophobicContact CD1-CB 3.94Å; F620-E627 HydrophobicContact CG-CB 4.44Å
628L71.8Confident74Confident51 Ų5192.7 Ų92.727%0.26746%0.462SS..EExtended strand (participates in β ladder)trans-121.6133-176.2-153.5114.5000109.8F620 C621 M716 V782F620-L628 CarbonylContact C-O 3.59Å; F620-L628 WeakPolarHBondContact CA-O 3.29Å; C621-L628 PolarHBondContact N-O 3.43Å; C621-L628 PolarHBondContact O-N 3.24Å; L628-M716 HydrophobicContact CD1-CE 3.94Å; L628-M716 HydrophobicContact CD1-SD 3.83Å; L628-M716 HydrophobicContact CD2-CE 4.37Å; L628-V782 HydrophobicContact CB-CG2 4.26Å; L628-V782 HydrophobicContact CD2-CB 3.69Å; L628-V782 HydrophobicContact CD2-CG1 3.91Å; L628-V782 HydrophobicContact CD2-CG2 3.29Å; L628-V782 HydrophobicContact CG-CG2 4.36Å
629A76.3Confident72.8Confident27 Ų2793.1 Ų93.122%0.22347%0.465CS..  trans-134.2136.6172.100000109.3L618 F620L618-A629 HydrophobicContact CB-CB 4.04Å; L618-A629 HydrophobicContact CD1-CB 4.42Å; L618-A629 HydrophobicContact CD2-CB 4.45Å; F620-A629 HydrophobicContact CD1-CB 3.75Å; F620-A629 HydrophobicContact CE1-CB 3.79Å; F620-A629 HydrophobicContact CG-CB 4.33Å; F620-A629 HydrophobicContact CZ-CB 4.39Å
630W76.7Confident71.5Confident124 Ų12488.6 Ų88.647%0.4745%0.453SS..  trans-83.6136.8169.8-174.2-90.2000109.6D632 H711 V782W630-D632 PolarHBondContact NE1-OD1 2.88Å; W630-D632 PolarHBondContact NE1-OD2 3.08Å; W630-H711 AromaticContact CD1-CD2 3.97Å; W630-H711 HydrophobicContact CZ2-CB 4.13Å; W630-V782 HydrophobicContact CB-CG1 3.69Å
631I78.9Confident69.8Low71 Ų7192.7 Ų92.736%0.36447%0.47SS..  trans-126.3117-177.4-46.1-167.5000109L610 L614 L618 L700L610-I631 HydrophobicContact CD1-CD1 4.48Å; L614-I631 HydrophobicContact CD1-CG2 4.31Å; L614-I631 HydrophobicContact CD2-CG2 3.71Å; L614-I631 HydrophobicContact CG-CG2 4.22Å; L618-I631 HydrophobicContact CD1-CD1 3.8Å; L618-I631 HydrophobicContact CD1-CG1 4.28Å; L618-I631 HydrophobicContact CD2-CB 4.32Å; L618-I631 HydrophobicContact CD2-CD1 4.03Å; L618-I631 HydrophobicContact CD2-CG1 3.63Å; L618-I631 HydrophobicContact CD2-CG2 4.33Å; I631-L700 HydrophobicContact CG2-CD2 4.25Å
632D77.1Confident68.3Low54 Ų5495.2 Ų95.229%0.28948%0.484SS..  trans-118.5142.2164.7-62.1-45000109.2W630 L703W630-D632 PolarHBondContact NE1-OD1 2.88Å; W630-D632 PolarHBondContact NE1-OD2 3.08Å; D632-L703 HydrophobicContact CB-CD1 3.67Å
633G79.4Confident66.9Low28 Ų2894.7 Ų94.729%0.28949%0.489SS..EExtended strand (participates in β ladder)trans-167.2166.5176.900000113.3E701G633-E701 CarbonylContact C-O 3.56Å; G633-E701 WeakPolarHBondContact CA-O 3.46Å
634V82.9Confident65.6Low69 Ų6998.8 Ų98.842%0.41851%0.513SS..EExtended strand (participates in β ladder)trans-96136.1176.563.40000109.5E701 L703V634-E701 HydrophobicContact CG1-CB 3.88Å; V634-E701 PolarHBondContact N-O 2.79Å; V634-E701 PolarHBondContact O-N 3.38Å; V634-L703 HydrophobicContact CB-CD2 4.45Å
635L84Confident64Low85 Ų8595.6 Ų95.645%0.44552%0.523SS..EExtended strand (participates in β ladder)trans-80.3122174.5-71.2172.1000109.6V608 P698 L700V608-L635 HydrophobicContact CG1-CD2 3.87Å; V608-L635 HydrophobicContact CG2-CD2 3.8Å; L635-P698 HydrophobicContact CD2-CB 4.48Å; L635-L700 HydrophobicContact CD2-CD1 3.98Å; L635-L700 HydrophobicContact CD2-CG 4.32Å
636D81.5Confident62.4Low38 Ų3893.2 Ų93.220%0.20351%0.514CS..EExtended strand (participates in β ladder)trans-98.3118.5165.8-170.66.1000109.9R638 P698 T699 E701D636-R638 VanDerWaalsContact OD1-CB 3.29Å; D636-R638 WeakPolarHBondContact OD1-CB 3.26Å; D636-R638 WeakPolarHBondContact OD1-CG 3.46Å; D636-R638 PolarHBondContact OD1-N 3.45Å; D636-P698 WeakPolarHBondContact O-CA 3.38Å; D636-T699 PolarHBondContact N-O 2.98Å; D636-T699 PolarHBondContact O-N 2.89Å; D636-E701 HydrophobicContact CB-CG 4.42Å
637M75.4Confident60.5Low120 Ų12097.7 Ų97.759%0.59153%0.528SS*.  trans-96.114.1-178.7-62.5-72.6-63.700112.3I696 P698M637-I696 VanDerWaalsContact O-CG2 3.32Å; M637-I696 WeakPolarHBondContact O-CG2 3.36Å; M637-P698 HydrophobicContact SD-CB 3.67Å; M637-P698 HydrophobicContact SD-CG 4.26Å
638R65.7Low58.2Low222 Ų22298.6 Ų98.684%0.83854%0.536SS*.  trans-106.21.2-169.7-61.7175-178.1172.54115.4D636D636-R638 VanDerWaalsContact OD1-CB 3.29Å; D636-R638 WeakPolarHBondContact OD1-CB 3.26Å; D636-R638 WeakPolarHBondContact OD1-CG 3.46Å; D636-R638 PolarHBondContact OD1-N 3.45Å
639V54.3Low56.3Low38 Ų38105 Ų10523%0.2357%0.565CS.*  trans-99.5106.5-168.8-172.60000111.9V642 T699V639-V642 HydrophobicContact CG1-CG2 3.67Å; V639-T699 HydrophobicContact CB-CG2 4.42Å; V639-T699 HydrophobicContact CG2-CG2 4.47Å
640S45.8Very low54.2Low75 Ų75112.2 Ų112.252%0.52459%0.594SS.*  trans-87.2122.3159.8-52.20000108.2
641K40.3Very low52.1Low200 Ų200110.2 Ų110.287%0.8761%0.612SS**  trans27106.2172.7-76-177.8175.5177.80116.8
642V40.1Very low49.8Very low98 Ų98115.7 Ų115.759%0.59464%0.636SS**  trans-95.3117155.8-164.10000107.4V639 T644V639-V642 HydrophobicContact CG1-CG2 3.67Å; V642-T644 PolarHBondContact O-N 2.93Å; V642-T644 VanDerWaalsContact O-N 3.16Å
643D37.9Very low47.6Very low158 Ų158121.4 Ų121.485%0.84567%0.666SS**  trans-57113.2172-88.6-28.2000109.9
644T35Very low45.2Very low100 Ų100129.7 Ų129.761%0.61369%0.693SS**  trans-109.9108.6162.151.50000106.8V642 V646V642-T644 PolarHBondContact O-N 2.93Å; V642-T644 VanDerWaalsContact O-N 3.16Å; T644-V646 VanDerWaalsContact C-N 3.32Å; T644-V646 PolarHBondContact O-N 2.8Å
645G34.4Very low42.6Very low84 Ų84133.8 Ų133.887%0.86671%0.713SS**  trans-57.882.8-174.500000114.7
646V27.7Very low39.9Very low122 Ų122137 Ų13774%0.73973%0.731SS**  trans-108.2100.4157-176.70000106T644 L648T644-V646 VanDerWaalsContact C-N 3.32Å; T644-V646 PolarHBondContact O-N 2.8Å; V646-L648 PolarHBondContact O-N 3.46Å
647I28.3Very low37.3Very low153 Ų153139 Ų13979%0.78576%0.76SS**  trans-65.9110.3172.7-60.4164.6000106.7E649I647-E649 HydrophobicContact CG2-CG 4.34Å
648L29.2Very low35.1Very low153 Ų153142 Ų14280%0.80177%0.773SS**  trans-87.9113.7154.5-74.7166.4000105.5V646 E650V646-L648 PolarHBondContact O-N 3.46Å; L648-E650 PolarHBondContact O-N 2.93Å
649E32.2Very low33.4Very low186 Ų186138.4 Ų138.487%0.86977%0.77SS**  trans-62.8100.8173-73.5-178.4157.700109I647I647-E649 HydrophobicContact CG2-CG 4.34Å
650E31.4Very low32.2Very low179 Ų179141.5 Ų141.584%0.83679%0.794SS**  trans-85.7118.4156.5-74.7-171.5159.500107.7L648 E652L648-E650 PolarHBondContact O-N 2.93Å; E650-E652 PolarHBondContact O-N 3.31Å
651G33.3Very low31.4Very low81 Ų81147.6 Ų147.684%0.83581%0.814SS**  trans-71.2110.6177.200000110.5
652E29.8Very low30.9Very low186 Ų186145.9 Ų145.987%0.86981%0.811SS**PPolyproline II helixtrans-91128.3169-75.8-171.6153.400111.4E650E650-E652 PolarHBondContact O-N 3.31Å
653L30.3Very low30.2Very low175 Ų175149.2 Ų149.292%0.91682%0.82SS**PPolyproline II helixtrans-61.7134.4169-75.8142000110
654K29.1Very low29.7Very low201 Ų201146.8 Ų146.887%0.87481%0.811SS**PPolyproline II helixtrans-71.7134.1168.9-71.1178172.7-178.50110.4
655D28.3Very low29.4Very low155 Ų155149.5 Ų149.583%0.82982%0.821SS**  trans-139.9147.1147.8-164.617.8000109.1
656D28.3Very low29Very low152 Ų152149.8 Ų149.881%0.81382%0.815SS**  trans-81161.2-153.7-67.8-48.9000115.5
657G27.5Very low29.6Very low80 Ų80149.3 Ų149.383%0.82582%0.815SS**  trans166.292.1164.700000114.9
658E29Very low29.6Very low183 Ų183146.6 Ų146.686%0.85581%0.81SS**  trans-58.9138.2173.7-60.5172.7140.600113.1
659D29.8Very low29.5Very low147 Ų147146.7 Ų146.779%0.78681%0.811SS**  177115.6111.7-96.6-28.5000113.9
660S28.3Very low29.7Very low103 Ų103143.1 Ų143.172%0.7281%0.806SS**  trans12.1122.1134.6-47.50000119.7
661E29.4Very low29.9Very low203 Ų203139.8 Ų139.895%0.94980%0.803SS**  179.6160.598.4-96.1-170.7175.100113.3
662M28.7Very low29.9Very low165 Ų165141.9 Ų141.981%0.81380%0.799SS**  trans-104.4145.1-154.7-104.4-175.9-166.800112.8
663Q27Very low30.2Very low168 Ų168141.6 Ų141.679%0.78580%0.802SS**  trans70147.9134.3-121.3170.533.500116.9
664V27.7Very low30.5Very low106 Ų106137.8 Ų137.864%0.64280%0.795SS**  cis-165.9146.232.6-159.30000109.9
665D27.7Very low30.8Very low157 Ų157136.4 Ų136.484%0.8479%0.792SS**  trans46.6138.4146.3-62.4-23.7000126.5
666A26.2Very low31.1Very low90 Ų90138.6 Ų138.674%0.74480%0.798SS**  trans-75.1-167.717700000113.6
667P40.4Very low31.4Very low112 Ų112141.7 Ų141.773%0.72780%0.804SS**  cis-141.4-177.40.735.4-11.8000117
668S28.3Very low31.8Very low96 Ų96142.2 Ų142.267%0.67180%0.8SS**  trans62.7108.1152.264.30000119.5
669D27.9Very low31.9Very low155 Ų155142.7 Ų142.783%0.82981%0.805SS**  -169.7141.4102.1-108.9-20000113
670S34.8Very low32Very low111 Ų111146.1 Ų146.178%0.77681%0.813SS**  trans-82.7107178.242.50000110.4
671S36.7Very low32.3Very low109 Ų109146.2 Ų146.276%0.76281%0.813SS**  trans-176.541.815749.20000116
672V32.9Very low32.6Very low126 Ų126144.2 Ų144.276%0.76481%0.808SS**  trans-147.542.8165.9-147.60000114
673I35.7Very low32.8Very low180 Ų180146.4 Ų146.492%0.92381%0.814SS**  trans-100.870.9167.5-53.5175000108
674A36.5Very low32.9Very low94 Ų94141.4 Ų141.478%0.77781%0.807SS**SBendtrans-156-4.9171.300000115
675Q36.6Very low33Very low173 Ų173143.8 Ų143.881%0.80882%0.816SS**SBendtrans-140.368.5-176.2-73.2-176.4-17.100111.7
676Q32.9Very low33.1Very low201 Ų201143.8 Ų143.894%0.93982%0.816SS**  trans-16031.7159.8-113.6170.217.300112.7
677K35.3Very low33.6Very low216 Ų216148.5 Ų148.594%0.93982%0.823SS**SBendtrans-106.726176-148.1179.7-176.2178.40113.7
678A35.8Very low33Very low92 Ų92152.7 Ų152.776%0.7683%0.83SS**SBendtrans-155.169.218000000112
679M31.8Very low33.5Very low192 Ų192156.8 Ų156.895%0.94684%0.838SS**SBendtrans-170.646.1159.6-112.8179.517000113.6
680K30.8Very low33.5Very low219 Ų219155.7 Ų155.795%0.95284%0.837SS**  trans-144.941169.7-138.6178.3-175.3-1760113
681S35.3Very low33.2Very low105 Ų105154.1 Ų154.173%0.73484%0.839SS**  trans-121.1101.8157.362.30000105.7
682L35.6Very low33.1Very low161 Ų161157.8 Ų157.884%0.84384%0.844SS**  trans164.492.4165.6-92155.9000104.5
683F32.4Very low33.1Very low212 Ų212160.8 Ų160.893%0.9385%0.849SS**  trans15292.3157.8-73.7-54.3000106.2
684G29.6Very low33.6Very low62 Ų62156.1 Ų156.164%0.63983%0.833SS**  trans-77.6152.5160.600000109.3
685D30.5Very low34.4Very low156 Ų156160 Ų16083%0.83484%0.835SS**  -177.9154.4106.2-85.6-17.7000111.2
686D28.9Very low35.7Very low158 Ų158156.1 Ų156.185%0.84582%0.819SS**  trans85.790160.3-61.3-21.6000120.3
687E36.4Very low37.7Very low188 Ų188148.8 Ų148.888%0.87979%0.786SS**  trans-55.8122.3156.2-64.2176155.300111.6
688K29.4Very low39.9Very low200 Ų200139.3 Ų139.387%0.8775%0.746SS**  trans-118.8106.4146.3-94.6-175.6176.5178.50107.5T690K688-T690 PolarHBondContact O-N 3.28Å
689E37.6Very low42.2Very low183 Ų183135.9 Ų135.986%0.85572%0.716SS**  trans-60.2110.1167.4-70-179.9144.800109.8
690T28.4Very low44.7Very low132 Ų132128.2 Ų128.281%0.8168%0.678SS**  trans-123.791149.548.90000106K688 E692K688-T690 PolarHBondContact O-N 3.28Å; T690-E692 PolarHBondContact O-N 3.35Å; T690-E692 VanDerWaalsContact O-N 3.11Å
691G27.5Very low47.2Very low78 Ų78120.2 Ų120.280%0.80464%0.644SS**  trans-69101.317400000109.9E693G691-E693 PolarHBondContact O-N 2.66Å
692E34.4Very low49.2Very low186 Ų186117.6 Ų117.687%0.86963%0.625SS**  trans-7897.5150.6-71.8-175.6172.600106.4T690 S694T690-E692 PolarHBondContact O-N 3.35Å; T690-E692 VanDerWaalsContact O-N 3.11Å; E692-S694 VanDerWaalsContact C-N 3.27Å; E692-S694 PolarHBondContact O-N 3.45Å
693E34.8Very low51Low188 Ų188112 Ų11288%0.87960%0.595SS**  trans-64.493.6165.6-73.7-171.3163.500107.7G691 E695G691-E693 PolarHBondContact O-N 2.66Å; E693-E695 PolarHBondContact O-N 3.42Å
694S44.7Very low52.9Low83 Ų83104.1 Ų104.158%0.5857%0.565SS**  trans-63.4110.1169.661.50000108.2E692 I696E692-S694 VanDerWaalsContact C-N 3.27Å; E692-S694 PolarHBondContact O-N 3.45Å; S694-I696 PolarHBondContact O-N 2.95Å; S694-I696 VanDerWaalsContact O-N 3.08Å
695E53.1Low54.6Low175 Ų175107.1 Ų107.182%0.81857%0.574SS**  trans-55.2115.6175.7-73.8-172.4150.800110.1E693 I697E693-E695 PolarHBondContact O-N 3.42Å; E695-I697 PolarHBondContact O-N 2.84Å
696I65.1Low56.2Low92 Ų92107 Ų10747%0.47257%0.568SS.*  trans-77.2104.9176.4-58.3170.7000107.3M637 S694 P698M637-I696 VanDerWaalsContact O-CG2 3.32Å; M637-I696 WeakPolarHBondContact O-CG2 3.36Å; S694-I696 PolarHBondContact O-N 2.95Å; S694-I696 VanDerWaalsContact O-N 3.08Å; I696-P698 VanDerWaalsContact O-CD 3.32Å; I696-P698 WeakPolarHBondContact O-CD 3.44Å
697I74.6Confident57.9Low47 Ų47104.9 Ų104.924%0.24155%0.553CS.*  trans-84.1114.8175.9-57.9174.6000108.5Q607 R609 E695Q607-I697 HydrophobicContact CG-CG2 4.42Å; R609-I697 HydrophobicContact CB-CG2 4.43Å; E695-I697 PolarHBondContact O-N 2.84Å
698P82Confident59.2Low17 Ų1799.8 Ų99.811%0.1153%0.534CS..  trans-63.6144.5178.623.9-33.7000112.7Q607 V608 R609 L635 D636 M637 I696Q607-P698 WeakPolarHBondContact O-CD 3.01Å; Q607-P698 WeakPolarHBondContact O-CG 3.45Å; V608-P698 WeakPolarHBondContact CA-O 3.35Å; V608-P698 HydrophobicContact CG2-CB 4.2Å; V608-P698 HydrophobicContact CG2-CG 3.59Å; R609-P698 PolarHBondContact N-O 2.74Å; L635-P698 HydrophobicContact CD2-CB 4.48Å; D636-P698 WeakPolarHBondContact O-CA 3.38Å; M637-P698 HydrophobicContact SD-CB 3.67Å; M637-P698 HydrophobicContact SD-CG 4.26Å; I696-P698 VanDerWaalsContact O-CD 3.32Å; I696-P698 WeakPolarHBondContact O-CD 3.44Å
699T84.2Confident60.8Low19 Ų1994.2 Ų94.212%0.11752%0.519CS..EExtended strand (participates in β ladder)trans-110.3141.1174.557.10000111.3R609 D636 V639R609-T699 HydrophobicContact CB-CG2 4.39Å; R609-T699 CarbonylContact O-C 3.56Å; R609-T699 VanDerWaalsContact O-CA 3.26Å; R609-T699 WeakPolarHBondContact O-CA 3.5Å; D636-T699 PolarHBondContact N-O 2.98Å; D636-T699 PolarHBondContact O-N 2.89Å; V639-T699 HydrophobicContact CB-CG2 4.42Å; V639-T699 HydrophobicContact CG2-CG2 4.47Å
700L84.3Confident61.9Low31 Ų3189.3 Ų89.316%0.16252%0.518CS..EExtended strand (participates in β ladder)trans-97.4118.1177.8-151140000110V608 R609 L610 K611 L614 I631 L635V608-L700 HydrophobicContact CG1-CB 3.81Å; V608-L700 HydrophobicContact CG1-CD1 4Å; R609-L700 PolarHBondContact O-N 3.46Å; L610-L700 HydrophobicContact CD2-CB 3.94Å; L610-L700 HydrophobicContact CD2-CD1 4.44Å; L610-L700 HydrophobicContact CD2-CD2 4.37Å; L610-L700 HydrophobicContact CD2-CG 4.5Å; K611-L700 WeakPolarHBondContact CB-O 3.09Å; K611-L700 PolarHBondContact N-O 2.82Å; L614-L700 HydrophobicContact CD1-CD2 4.49Å; L614-L700 HydrophobicContact CD2-CB 4.31Å; L614-L700 HydrophobicContact CD2-CD2 3.26Å; L614-L700 HydrophobicContact CD2-CG 4.39Å; L614-L700 HydrophobicContact CG-CD2 4.49Å; I631-L700 HydrophobicContact CG2-CD2 4.25Å; L635-L700 HydrophobicContact CD2-CD1 3.98Å; L635-L700 HydrophobicContact CD2-CG 4.32Å
701E81.6Confident63.6Low52 Ų5286.7 Ų86.724%0.24350%0.496CS..EExtended strand (participates in β ladder)trans-104.7149.2-178-57.6-159.3133.200111.7K611 G633 V634 D636 L703K611-E701 HydrophobicContact CD-CG 4.1Å; K611-E701 IonicContact NZ-OE1 3.19Å; K611-E701 PolarHBondContact NZ-OE1 3.38Å; G633-E701 CarbonylContact C-O 3.56Å; G633-E701 WeakPolarHBondContact CA-O 3.46Å; V634-E701 HydrophobicContact CG1-CB 3.88Å; V634-E701 PolarHBondContact N-O 2.79Å; V634-E701 PolarHBondContact O-N 3.38Å; D636-E701 HydrophobicContact CB-CG 4.42Å; E701-L703 PolarHBondContact O-N 2.94Å
702P77.6Confident65.1Low49 Ų4991.4 Ų91.432%0.31850%0.497SS..EExtended strand (participates in β ladder)trans-62.1135.5176.825.4-32.2000111.3L614L614-P702 HydrophobicContact CD1-CB 3.89Å
703L74.9Confident66.6Low44 Ų4485.4 Ų85.423%0.2348%0.476CS..PPolyproline II helixtrans-62.5142.3171.3-81.5165.4000110.3D632 V634 E701 E707 V708D632-L703 HydrophobicContact CB-CD1 3.67Å; V634-L703 HydrophobicContact CB-CD2 4.45Å; E701-L703 PolarHBondContact O-N 2.94Å; L703-E707 HydrophobicContact CD2-CB 4.49Å; L703-V708 HydrophobicContact CB-CG2 4.29Å
704P71Confident68Low46 Ų4679.4 Ų79.430%0.29945%0.452SS..PPolyproline II helixtrans-58.2143.9170-21.332.2000111H706 E707P704-H706 WeakPolarHBondContact CB-CE1 3.11Å; P704-H706 WeakPolarHBondContact CB-ND1 3.49Å; P704-H706 PolarHBondContact O-N 3.17Å; P704-E707 PolarHBondContact O-N 2.85Å
705P64.6Low69Low126 Ų12680.1 Ų80.182%0.81844%0.444SS*.THydrogen-bonded Turntrans-57.9-14.2-173.8-24.931.8000115.9
706H65.3Low69.4Low152 Ų15275.8 Ų75.870%0.70443%0.425SS*.THydrogen-bonded Turntrans-94.1-9.6-178.752.4-84.3000113.8P704P704-H706 WeakPolarHBondContact CB-CE1 3.11Å; P704-H706 WeakPolarHBondContact CB-ND1 3.49Å; P704-H706 PolarHBondContact O-N 3.17Å
707E64.6Low69.3Low115 Ų11573.8 Ų73.854%0.53742%0.416SS..THydrogen-bonded Turntrans-114.41.4-177.7-72.5-179.9171.600113.1L703 P704 P709L703-E707 HydrophobicContact CD2-CB 4.49Å; P704-E707 PolarHBondContact O-N 2.85Å; E707-P709 WeakPolarHBondContact O-CD 3.36Å; E707-P709 VanDerWaalsContact O-N 3.16Å
708V63.6Low69Low80 Ų8078.5 Ų78.549%0.48544%0.437SS..  trans-66.4111.1176.1-174.50000108.9L703L703-V708 HydrophobicContact CB-CG2 4.29Å
709P62.3Low68.5Low83 Ų8378.6 Ų78.654%0.53944%0.437SS..PPolyproline II helixtrans-67.1137.9173.5-9.926.9000108.6E707 H711E707-P709 WeakPolarHBondContact O-CD 3.36Å; E707-P709 VanDerWaalsContact O-N 3.16Å; P709-H711 PolarHBondContact O-N 2.82Å; P709-H711 VanDerWaalsContact O-N 3.17Å
710G60.6Low68.1Low81 Ų8186 Ų8684%0.83546%0.463SS*.PPolyproline II helixtrans-65.3116.6168.300000109.5
711H64.2Low67.8Low77 Ų7785.6 Ų85.636%0.35646%0.461SS..PPolyproline II helixtrans-78.3155.3173.562.271.3000110.3W630 P709 S713 V782W630-H711 AromaticContact CD1-CD2 3.97Å; W630-H711 HydrophobicContact CZ2-CB 4.13Å; P709-H711 PolarHBondContact O-N 2.82Å; P709-H711 VanDerWaalsContact O-N 3.17Å; H711-S713 PolarHBondContact O-N 2.89Å; H711-V782 PolarHBondContact CE1-OXT 3.17Å
712Q59.3Low67.7Low176 Ų17686 Ų8682%0.82247%0.469SS*.PPolyproline II helixtrans-68.4127.6171.2-173.31742.700108.4V714Q712-V714 PolarHBondContact O-N 2.85Å
713S65.5Low67.8Low60 Ų6087.5 Ų87.542%0.4248%0.475SS..PPolyproline II helixtrans-58.5119.6179.356.10000110.6H711 F715H711-S713 PolarHBondContact O-N 2.89Å; S713-F715 WeakPolarHBondContact OG-CE2 3.33Å
714V64.8Low68.1Low63 Ų6385.5 Ų85.538%0.38246%0.464SS..  trans-94.6113.7178.1-178.10000108.3Q712 M716 V782Q712-V714 PolarHBondContact O-N 2.85Å; V714-M716 HydrophobicContact CG1-CE 4.4Å; V714-M716 HydrophobicContact CG1-CG 4.28Å; V714-M716 PolarHBondContact O-N 2.8Å; V714-V782 PolarHBondContact N-O 3.41Å; V714-V782 PolarHBondContact O-N 3.01Å
715F66.5Low68.7Low97 Ų9786 Ų8643%0.42546%0.462SS..EExtended strand (participates in β ladder)trans-85.7104.1173.6-64-89.2000109S713 Y776 Y779 I781S713-F715 WeakPolarHBondContact OG-CE2 3.33Å; F715-Y776 HydrophobicContact CE1-CD1 4.03Å; F715-Y776 AromaticContact CE1-CE1 3.83Å; F715-Y776 HydrophobicContact CE1-CE1 3.83Å; F715-Y776 HydrophobicContact CZ-CE1 4.3Å; F715-Y779 HydrophobicContact CB-CD1 3.96Å; F715-Y779 HydrophobicContact CB-CE1 4.43Å; F715-Y779 HydrophobicContact CD1-CD1 4.24Å; F715-Y779 HydrophobicContact CD1-CG 4.03Å; F715-I781 HydrophobicContact CD1-CD1 4.15Å; F715-I781 HydrophobicContact CD1-CG1 3.79Å; F715-I781 HydrophobicContact CE1-CD1 3.7Å; F715-I781 HydrophobicContact CE1-CG1 3.82Å; F715-I781 HydrophobicContact CE1-CG2 4.34Å
716M60.6Low69.4Low85 Ų8586 Ų8642%0.41945%0.451SS..EExtended strand (participates in β ladder)trans-93.4147.7168.2-77.9-167.4-161.500110.8L628 V714 A780L628-M716 HydrophobicContact CD1-CE 3.94Å; L628-M716 HydrophobicContact CD1-SD 3.83Å; L628-M716 HydrophobicContact CD2-CE 4.37Å; V714-M716 HydrophobicContact CG1-CE 4.4Å; V714-M716 HydrophobicContact CG1-CG 4.28Å; V714-M716 PolarHBondContact O-N 2.8Å; M716-A780 HydrophobicContact CB-CB 4.2Å; M716-A780 PolarHBondContact N-O 3.42Å; M716-A780 PolarHBondContact O-N 2.96Å
717N64.1Low70.2Confident50 Ų5080.3 Ų80.327%0.26743%0.426SS..  trans88.4135.1-166.4-58.2-40.2000114.6K624 P719 Q778 Y779K624-N717 WeakPolarHBondContact CE-OD1 3.49Å; N717-P719 WeakPolarHBondContact O-CD 3.5Å; N717-Q778 PolarHBondContact ND2-O 3.28Å; N717-Y779 VanDerWaalsContact O-CD1 3.31Å; N717-Y779 WeakPolarHBondContact O-CD1 3.4Å; N717-Y779 WeakPolarHBondContact O-CE1 3.3Å
718E68.3Low71.1Confident146 Ų14674.8 Ų74.868%0.68240%0.401SS*.  trans-100.391.9161.8-68.6-167.1-174.300108.7R720 R752E718-R720 PolarHBondContact O-N 2.83Å; E718-R752 IonicContact OE2-CZ 2.65Å; E718-R752 IonicContact OE2-NH2 2.77Å; E718-R752 PolarHBondContact OE2-NH2 3.03Å
719P69.9Low72Confident19 Ų1975.5 Ų75.512%0.12340%0.401CS..  trans-65.7126.3179.125-30.9000109.7N717 I758 Q778 Y779N717-P719 WeakPolarHBondContact O-CD 3.5Å; P719-I758 HydrophobicContact CG-CD1 3.86Å; P719-Q778 HydrophobicContact CB-CB 4.04Å; P719-Y779 VanDerWaalsContact CD-CZ 3.41Å; P719-Y779 WeakPolarHBondContact CD-OH 3.45Å; P719-Y779 HydrophobicContact CG-CD1 4.34Å; P719-Y779 HydrophobicContact CG-CD2 4.34Å; P719-Y779 HydrophobicContact CG-CE1 3.67Å; P719-Y779 HydrophobicContact CG-CE2 3.65Å; P719-Y779 VanDerWaalsContact CG-OH 3.32Å; P719-Y779 WeakPolarHBondContact CG-OH 3.32Å
720R77.3Confident73Confident174 Ų17481.3 Ų81.366%0.65741%0.413SS*.  trans-76.1134.1173.9-61-178.5179.6-1631.4108.6E718 S722 D723 F724E718-R720 PolarHBondContact O-N 2.83Å; R720-S722 WeakPolarHBondContact CB-OG 3.32Å; R720-S722 PolarHBondContact O-N 3.18Å; R720-S722 VanDerWaalsContact O-N 3.11Å; R720-D723 HydrophobicContact CB-CB 4.47Å; R720-D723 PolarHBondContact O-N 3.33Å; R720-F724 PolarHBondContact O-N 3.4Å
721L78Confident74Confident23 Ų2381.5 Ų81.512%0.1239%0.392CS..Hα-helixtrans-58.8-25.8176.9-66.1175.1000112.4K725 F737 V750 R752 I758L721-K725 WeakPolarHBondContact O-CB 3.28Å; L721-K725 PolarHBondContact O-N 3.31Å; L721-F737 HydrophobicContact CB-CE1 3.96Å; L721-F737 HydrophobicContact CB-CZ 3.78Å; L721-V750 HydrophobicContact CD2-CG1 3.76Å; L721-R752 HydrophobicContact CD1-CB 4.19Å; L721-I758 HydrophobicContact CD2-CD1 4.33Å
722S78.2Confident74.8Confident59 Ų5980.9 Ų80.941%0.41341%0.406SS..Hα-helixtrans-63.4-41173.153.60000112.9R720R720-S722 WeakPolarHBondContact CB-OG 3.32Å; R720-S722 PolarHBondContact O-N 3.18Å; R720-S722 VanDerWaalsContact O-N 3.11Å
723D80.4Confident76Confident81 Ų8172.8 Ų72.843%0.43337%0.368SS..Hα-helixtrans-80.9-40.1-174.2-54-9.6000108.4R720 K725 Q726 V727R720-D723 HydrophobicContact CB-CB 4.47Å; R720-D723 PolarHBondContact O-N 3.33Å; D723-K725 VanDerWaalsContact C-N 3.29Å; D723-K725 PolarHBondContact O-N 2.95Å; D723-Q726 WeakPolarHBondContact O-CB 3.44Å; D723-Q726 PolarHBondContact O-N 3.48Å; D723-V727 PolarHBondContact O-N 2.92Å; D723-V727 VanDerWaalsContact O-N 3.17Å
724F81.9Confident76.7Confident2 Ų277 Ų771%0.00938%0.381CS..Hα-helixtrans-60.2-37172.5-171.2-123.6000112.6R720 Q726 V727 L728 L742 V750 I771 L774 L775 Q778R720-F724 PolarHBondContact O-N 3.4Å; F724-Q726 VanDerWaalsContact C-N 3.27Å; F724-Q726 PolarHBondContact O-N 3.28Å; F724-V727 HydrophobicContact CD2-CB 4.47Å; F724-V727 WeakPolarHBondContact O-CB 3.44Å; F724-V727 PolarHBondContact O-N 3.06Å; F724-V727 VanDerWaalsContact O-N 3.15Å; F724-L728 HydrophobicContact CD1-CD1 3.78Å; F724-L728 HydrophobicContact CD1-CG 4.3Å; F724-L728 HydrophobicContact CE1-CD1 3.55Å; F724-L728 HydrophobicContact CE1-CD2 4.2Å; F724-L728 HydrophobicContact CE1-CG 3.99Å; F724-L728 HydrophobicContact CE2-CD2 4.32Å; F724-L728 HydrophobicContact CE2-CG 4.27Å; F724-L728 HydrophobicContact CG-CD1 4.45Å; F724-L728 HydrophobicContact CZ-CD1 4.04Å; F724-L728 HydrophobicContact CZ-CD2 3.84Å; F724-L728 HydrophobicContact CZ-CG 3.97Å; F724-L728 WeakPolarHBondContact O-CG 3.46Å; F724-L728 PolarHBondContact O-N 3.16Å; F724-L742 HydrophobicContact CD1-CD2 3.92Å; F724-V750 HydrophobicContact CE1-CG2 4.35Å; F724-I771 HydrophobicContact CE1-CG2 4.21Å; F724-I771 HydrophobicContact CZ-CG2 4.12Å; F724-L774 HydrophobicContact CE2-CB 4.19Å; F724-L774 HydrophobicContact CZ-CB 4.5Å; F724-L775 HydrophobicContact CD1-CD1 4.07Å; F724-L775 HydrophobicContact CD2-CD1 4.2Å; F724-L775 HydrophobicContact CE1-CB 4.32Å; F724-L775 HydrophobicContact CE1-CD1 3.89Å; F724-L775 HydrophobicContact CE2-CB 3.98Å; F724-L775 HydrophobicContact CE2-CD1 4.04Å; F724-L775 HydrophobicContact CG-CD1 4.22Å; F724-L775 HydrophobicContact CZ-CB 3.64Å; F724-L775 HydrophobicContact CZ-CD1 3.88Å; F724-L775 HydrophobicContact CZ-CG 4.34Å; F724-Q778 HydrophobicContact CD2-CG 3.84Å; F724-Q778 HydrophobicContact CE2-CG 4.27Å
725K81.7Confident77.6Confident57 Ų5774.2 Ų74.225%0.24837%0.365CS..Hα-helixtrans-57.2-39.2171.6177.7176.3173.1163.50112.3L721 D723 L728 L729 A735 F737 L742L721-K725 WeakPolarHBondContact O-CB 3.28Å; L721-K725 PolarHBondContact O-N 3.31Å; D723-K725 VanDerWaalsContact C-N 3.29Å; D723-K725 PolarHBondContact O-N 2.95Å; K725-L728 PolarHBondContact O-N 3.19Å; K725-L729 HydrophobicContact CG-CD1 4.09Å; K725-L729 WeakPolarHBondContact O-CB 3.18Å; K725-L729 VanDerWaalsContact O-CG 3.3Å; K725-L729 WeakPolarHBondContact O-CG 3.31Å; K725-L729 PolarHBondContact O-N 3.15Å; K725-A735 WeakPolarHBondContact CE-O 3.22Å; K725-A735 HydrophobicContact CG-CB 4.11Å; K725-A735 PolarHBondContact NZ-O 3.1Å; K725-F737 HydrophobicContact CB-CE2 4.35Å; K725-F737 HydrophobicContact CD-CD2 3.85Å; K725-F737 HydrophobicContact CD-CE2 3.73Å; K725-L742 HydrophobicContact CB-CD1 3.91Å; K725-L742 HydrophobicContact CB-CD2 4.2Å; K725-L742 HydrophobicContact CD-CD1 4.01Å; K725-L742 HydrophobicContact CG-CD1 4.05Å
726Q80.5Confident78.5Confident127 Ų12775.8 Ų75.859%0.59337%0.373SS*.Hα-helixtrans-69-36.4177.6-62.7-171.3-0.300112.1D723 F724 L729 R730D723-Q726 WeakPolarHBondContact O-CB 3.44Å; D723-Q726 PolarHBondContact O-N 3.48Å; F724-Q726 VanDerWaalsContact C-N 3.27Å; F724-Q726 PolarHBondContact O-N 3.28Å; Q726-L729 PolarHBondContact O-N 3.49Å; Q726-R730 WeakPolarHBondContact O-CB 3.42Å; Q726-R730 PolarHBondContact O-N 2.84Å
727V82.4Confident79.6Confident31 Ų3176.1 Ų76.119%0.18837%0.373CS..Hα-helixtrans-62.9-47174.3177.50000110.5D723 F724 L729 R730 E731D723-V727 PolarHBondContact O-N 2.92Å; D723-V727 VanDerWaalsContact O-N 3.17Å; F724-V727 HydrophobicContact CD2-CB 4.47Å; F724-V727 WeakPolarHBondContact O-CB 3.44Å; F724-V727 PolarHBondContact O-N 3.06Å; F724-V727 VanDerWaalsContact O-N 3.15Å; V727-L729 PolarHBondContact O-N 3Å; V727-R730 WeakPolarHBondContact O-CB 3.44Å; V727-R730 PolarHBondContact O-N 2.97Å; V727-E731 PolarHBondContact O-N 2.76Å; V727-E731 VanDerWaalsContact O-N 3.14Å
728L83.7Confident80.3Confident0 Ų078.2 Ų78.20%039%0.387CS..Hα-helixtrans-61.7-42.4177.6-69.3171.1000112.6F724 K725 R730 E731 G732 I733 A735 L742 C744 I771 L774F724-L728 HydrophobicContact CD1-CD1 3.78Å; F724-L728 HydrophobicContact CD1-CG 4.3Å; F724-L728 HydrophobicContact CE1-CD1 3.55Å; F724-L728 HydrophobicContact CE1-CD2 4.2Å; F724-L728 HydrophobicContact CE1-CG 3.99Å; F724-L728 HydrophobicContact CE2-CD2 4.32Å; F724-L728 HydrophobicContact CE2-CG 4.27Å; F724-L728 HydrophobicContact CG-CD1 4.45Å; F724-L728 HydrophobicContact CZ-CD1 4.04Å; F724-L728 HydrophobicContact CZ-CD2 3.84Å; F724-L728 HydrophobicContact CZ-CG 3.97Å; F724-L728 WeakPolarHBondContact O-CG 3.46Å; F724-L728 PolarHBondContact O-N 3.16Å; K725-L728 PolarHBondContact O-N 3.19Å; L728-R730 VanDerWaalsContact C-N 3.31Å; L728-R730 PolarHBondContact O-N 3Å; L728-E731 CarbonylContact O-C 3.59Å; L728-E731 PolarHBondContact O-N 2.65Å; L728-G732 PolarHBondContact O-N 2.99Å; L728-I733 CarbonylContact C-O 3.54Å; L728-I733 HydrophobicContact CB-CB 4.25Å; L728-I733 HydrophobicContact CD2-CB 4.37Å; L728-I733 HydrophobicContact CD2-CD1 3.9Å; L728-I733 HydrophobicContact CD2-CG2 4.34Å; L728-I733 WeakPolarHBondContact O-CB 3.27Å; L728-I733 PolarHBondContact O-N 3.11Å; L728-A735 HydrophobicContact CB-CB 4.2Å; L728-A735 HydrophobicContact CD1-CB 4.07Å; L728-L742 HydrophobicContact CD1-CD2 3.88Å; L728-C744 WeakPolarHBondContact CD1-SG 3.42Å; L728-I771 HydrophobicContact CD2-CG1 4.07Å; L728-I771 HydrophobicContact CD2-CG2 4.16Å; L728-L774 HydrophobicContact CD2-CD1 4.09Å
729L81.9Confident80.4Confident94 Ų9475.2 Ų75.249%0.49240%0.396SS..Hα-helixtrans-64.6-35.2176.5-74.8169000112.4K725 Q726 V727 E731 G732K725-L729 HydrophobicContact CG-CD1 4.09Å; K725-L729 WeakPolarHBondContact O-CB 3.18Å; K725-L729 VanDerWaalsContact O-CG 3.3Å; K725-L729 WeakPolarHBondContact O-CG 3.31Å; K725-L729 PolarHBondContact O-N 3.15Å; Q726-L729 PolarHBondContact O-N 3.49Å; V727-L729 PolarHBondContact O-N 3Å; L729-E731 VanDerWaalsContact C-N 3.31Å; L729-G732 PolarHBondContact O-N 3.04Å
730R83.5Confident80.5Confident206 Ų20677 Ų7778%0.77742%0.418SS*.Hα-helixtrans-67-34.6176.6-170.3-178.7-64.1173.31.3112Q726 V727 L728 G732Q726-R730 WeakPolarHBondContact O-CB 3.42Å; Q726-R730 PolarHBondContact O-N 2.84Å; V727-R730 WeakPolarHBondContact O-CB 3.44Å; V727-R730 PolarHBondContact O-N 2.97Å; L728-R730 VanDerWaalsContact C-N 3.31Å; L728-R730 PolarHBondContact O-N 3Å; R730-G732 PolarHBondContact O-N 3.36Å
731E81.6Confident80.7Confident85 Ų8570.7 Ų70.740%0.39740%0.398SS..THydrogen-bonded Turntrans-82.75.6175.3-75.5-63.9131.700113.8V727 L728 L729 R770 L774V727-E731 PolarHBondContact O-N 2.76Å; V727-E731 VanDerWaalsContact O-N 3.14Å; L728-E731 CarbonylContact O-C 3.59Å; L728-E731 PolarHBondContact O-N 2.65Å; L729-E731 VanDerWaalsContact C-N 3.31Å; E731-R770 IonicContact OE2-CZ 3.98Å; E731-R770 IonicContact OE2-NH2 2.94Å; E731-R770 PolarHBondContact OE2-NH2 3.25Å; E731-L774 HydrophobicContact CB-CD1 4.09Å; E731-L774 HydrophobicContact CG-CD1 3.98Å; E731-L774 HydrophobicContact CG-CD2 3.96Å
732G80.7Confident80.9Confident64 Ų6469.6 Ų69.666%0.6639%0.393SS*.THydrogen-bonded Turntrans78.814.117700000114.9L728 L729 R730L728-G732 PolarHBondContact O-N 2.99Å; L729-G732 PolarHBondContact O-N 3.04Å; R730-G732 PolarHBondContact O-N 3.36Å
733I83.6Confident81.2Confident5 Ų568.4 Ų68.43%0.02638%0.383CS..  trans-90.7123.2177-58.3175.1000108.6L728 A735 C744 R770 I771 L774L728-I733 CarbonylContact C-O 3.54Å; L728-I733 HydrophobicContact CB-CB 4.25Å; L728-I733 HydrophobicContact CD2-CB 4.37Å; L728-I733 HydrophobicContact CD2-CD1 3.9Å; L728-I733 HydrophobicContact CD2-CG2 4.34Å; L728-I733 WeakPolarHBondContact O-CB 3.27Å; L728-I733 PolarHBondContact O-N 3.11Å; I733-A735 PolarHBondContact O-N 2.9Å; I733-C744 HydrophobicContact CG2-CB 4.05Å; I733-R770 HydrophobicContact CD1-CG 4.5Å; I733-I771 HydrophobicContact CD1-CG1 3.81Å; I733-I771 HydrophobicContact CG2-CD1 4.2Å; I733-I771 HydrophobicContact CG2-CG1 4.34Å; I733-L774 HydrophobicContact CD1-CD1 3.9Å
734Q80.9Confident81.4Confident149 Ų14964.6 Ų64.670%0.69636%0.362SS*.  trans-72.5120.5177.8-69.6-174.3-11.600109.5C744 N745Q734-C744 CarbonylContact O-C 3.6Å; Q734-C744 VanDerWaalsContact O-CA 3.26Å; Q734-C744 WeakPolarHBondContact O-CA 3.46Å; Q734-N745 PolarHBondContact N-OD1 3.17Å; Q734-N745 PolarHBondContact O-N 3.43Å
735A84.6Confident81.3Confident4 Ų466.6 Ų66.63%0.03337%0.373CS..EExtended strand (participates in β ladder)trans-128.9123.1-177.800000111.9K725 L728 I733 L742 V743K725-A735 WeakPolarHBondContact CE-O 3.22Å; K725-A735 HydrophobicContact CG-CB 4.11Å; K725-A735 PolarHBondContact NZ-O 3.1Å; L728-A735 HydrophobicContact CB-CB 4.2Å; L728-A735 HydrophobicContact CD1-CB 4.07Å; I733-A735 PolarHBondContact O-N 2.9Å; A735-L742 HydrophobicContact CB-CD1 4.1Å; A735-L742 HydrophobicContact CB-CG 4.44Å; A735-V743 CarbonylContact C-O 3.51Å; A735-V743 WeakPolarHBondContact CA-O 3.45Å
736E84.8Confident81.2Confident130 Ų13070.8 Ų70.861%0.60740%0.398SS*.EExtended strand (participates in β ladder)trans-125.7146.1-179.7-68-169.1167.700111.8V743E736-V743 PolarHBondContact N-O 3.02Å; E736-V743 PolarHBondContact O-N 3.22Å
737F83.1Confident81.1Confident93 Ų9369.7 Ų69.741%0.40839%0.393SS..EExtended strand (participates in β ladder)trans-90.6121.7175.8-86.8-75.2000109.6L721 K725 V741 L742L721-F737 HydrophobicContact CB-CE1 3.96Å; L721-F737 HydrophobicContact CB-CZ 3.78Å; K725-F737 HydrophobicContact CB-CE2 4.35Å; K725-F737 HydrophobicContact CD-CD2 3.85Å; K725-F737 HydrophobicContact CD-CE2 3.73Å; F737-V741 WeakPolarHBondContact CA-O 3.3Å; F737-L742 HydrophobicContact CD1-CB 4.43Å; F737-L742 HydrophobicContact CD1-CD1 4.26Å; F737-L742 HydrophobicContact CD2-CD1 3.99Å; F737-L742 HydrophobicContact CE1-CB 4.13Å; F737-L742 HydrophobicContact CE1-CD1 4.12Å; F737-L742 HydrophobicContact CE2-CD1 3.83Å; F737-L742 HydrophobicContact CG-CD1 4.21Å; F737-L742 HydrophobicContact CZ-CD1 3.9Å
738V79.6Confident81.2Confident93 Ų9368.3 Ų68.356%0.56439%0.385SS*.EExtended strand (participates in β ladder)trans-128.4111.3175.3-174.90000108G740 V741 V743V738-G740 VanDerWaalsContact C-N 3.32Å; V738-G740 PolarHBondContact O-N 3.15Å; V738-V741 PolarHBondContact N-O 3.31Å; V738-V741 PolarHBondContact O-N 2.96Å; V738-V741 VanDerWaalsContact O-N 3.07Å; V738-V743 HydrophobicContact CB-CG2 4.28Å; V738-V743 HydrophobicContact CG2-CG2 4.28Å
739G69.9Low81.2Confident84 Ų8469.5 Ų69.587%0.86640%0.395SS*.THydrogen-bonded Turntrans60.532175.400000115.7V741G739-V741 VanDerWaalsContact C-N 3.32Å
740G71.9Confident81.3Confident57 Ų5765 Ų6559%0.58837%0.371SS*.THydrogen-bonded Turntrans84.62.3-177.600000114.7V738V738-G740 VanDerWaalsContact C-N 3.32Å; V738-G740 PolarHBondContact O-N 3.15Å
741V81.3Confident81.4Confident41 Ų4160.2 Ų60.225%0.24835%0.353CS..EExtended strand (participates in β ladder)trans-107.4138.2174.6-177.30000109.4F737 V738 G739 V743 A749 R751F737-V741 WeakPolarHBondContact CA-O 3.3Å; V738-V741 PolarHBondContact N-O 3.31Å; V738-V741 PolarHBondContact O-N 2.96Å; V738-V741 VanDerWaalsContact O-N 3.07Å; G739-V741 VanDerWaalsContact C-N 3.32Å; V741-V743 HydrophobicContact CG1-CG2 4.47Å; V741-A749 HydrophobicContact CG1-CB 3.81Å; V741-R751 HydrophobicContact CG1-CB 4.14Å; V741-R751 HydrophobicContact CG2-CB 4.03Å
742L83.8Confident81.3Confident0 Ų061.9 Ų61.90%036%0.356CS..EExtended strand (participates in β ladder)trans-91.4107.7175.9-174.469.4000109.2F724 K725 L728 A735 F737 V750F724-L742 HydrophobicContact CD1-CD2 3.92Å; K725-L742 HydrophobicContact CB-CD1 3.91Å; K725-L742 HydrophobicContact CB-CD2 4.2Å; K725-L742 HydrophobicContact CD-CD1 4.01Å; K725-L742 HydrophobicContact CG-CD1 4.05Å; L728-L742 HydrophobicContact CD1-CD2 3.88Å; A735-L742 HydrophobicContact CB-CD1 4.1Å; A735-L742 HydrophobicContact CB-CG 4.44Å; F737-L742 HydrophobicContact CD1-CB 4.43Å; F737-L742 HydrophobicContact CD1-CD1 4.26Å; F737-L742 HydrophobicContact CD2-CD1 3.99Å; F737-L742 HydrophobicContact CE1-CB 4.13Å; F737-L742 HydrophobicContact CE1-CD1 4.12Å; F737-L742 HydrophobicContact CE2-CD1 3.83Å; F737-L742 HydrophobicContact CG-CD1 4.21Å; F737-L742 HydrophobicContact CZ-CD1 3.9Å; L742-V750 HydrophobicContact CB-CB 4.3Å; L742-V750 PolarHBondContact N-O 3.33Å; L742-V750 PolarHBondContact O-N 2.93Å
743V84.4Confident80.9Confident34 Ų3460.9 Ų60.921%0.20634%0.337CS..EExtended strand (participates in β ladder)trans-95.9123.3-178.9-177.30000109.3A735 E736 V738 V741 V748A735-V743 CarbonylContact C-O 3.51Å; A735-V743 WeakPolarHBondContact CA-O 3.45Å; E736-V743 PolarHBondContact N-O 3.02Å; E736-V743 PolarHBondContact O-N 3.22Å; V738-V743 HydrophobicContact CB-CG2 4.28Å; V738-V743 HydrophobicContact CG2-CG2 4.28Å; V741-V743 HydrophobicContact CG1-CG2 4.47Å; V743-V748 CarbonylContact C-O 3.6Å
744C83Confident79.7Confident0 Ų070.8 Ų70.80%038%0.383CS..EExtended strand (participates in β ladder)trans-112.8126.6-175.3-52.70000110.1L728 I733 Q734 N746 Q747 V748 I771L728-C744 WeakPolarHBondContact CD1-SG 3.42Å; I733-C744 HydrophobicContact CG2-CB 4.05Å; Q734-C744 CarbonylContact O-C 3.6Å; Q734-C744 VanDerWaalsContact O-CA 3.26Å; Q734-C744 WeakPolarHBondContact O-CA 3.46Å; C744-N746 PolarHBondContact O-N 3.15Å; C744-Q747 PolarHBondContact O-N 3.48Å; C744-V748 HydrophobicContact CB-CB 4.43Å; C744-V748 PolarHBondContact N-O 3.49Å; C744-V748 PolarHBondContact O-N 3.05Å; C744-V748 VanDerWaalsContact O-N 3.09Å; C744-I771 HydrophobicContact CB-CD1 3.47Å; C744-I771 VanDerWaalsContact CB-CD1 3.47Å; C744-I771 HydrophobicContact CB-CG1 4.47Å
745N81.6Confident78.7Confident45 Ų4569.1 Ų69.124%0.24138%0.384CS..THydrogen-bonded Turntrans4825.9-178.2-71.7-6.6000114.6Q734 Q747 D767Q734-N745 PolarHBondContact N-OD1 3.17Å; Q734-N745 PolarHBondContact O-N 3.43Å; N745-Q747 WeakPolarHBondContact O-CG 3.47Å; N745-Q747 PolarHBondContact O-N 2.94Å; N745-D767 PolarHBondContact ND2-OD2 2.98Å
746N78.8Confident77.7Confident145 Ų14570.6 Ų70.678%0.77540%0.399SS*.THydrogen-bonded Turntrans53.218.8-171.9-69.3-13.1000115.3C744C744-N746 PolarHBondContact O-N 3.15Å
747Q78.6Confident77Confident103 Ų10373.3 Ų73.348%0.48140%0.404SS..THydrogen-bonded Turntrans-124-27.1-175.5-71.2-178.720.700113.4C744 N745 G762 C765C744-Q747 PolarHBondContact O-N 3.48Å; N745-Q747 WeakPolarHBondContact O-CG 3.47Å; N745-Q747 PolarHBondContact O-N 2.94Å; Q747-G762 WeakPolarHBondContact O-CA 3.48Å; Q747-C765 PolarHBondContact OE1-SG 2.9Å
748V83.9Confident76.8Confident2 Ų270.6 Ų70.61%0.01239%0.393CS..EExtended strand (participates in β ladder)trans-129.2131.3-175.5-175.90000109.5V743 C744 L760 F768 I771V743-V748 CarbonylContact C-O 3.6Å; C744-V748 HydrophobicContact CB-CB 4.43Å; C744-V748 PolarHBondContact N-O 3.49Å; C744-V748 PolarHBondContact O-N 3.05Å; C744-V748 VanDerWaalsContact O-N 3.09Å; V748-L760 HydrophobicContact CG1-CD1 4.4Å; V748-L760 HydrophobicContact CG1-CD2 3.89Å; V748-L760 HydrophobicContact CG1-CG 3.93Å; V748-F768 HydrophobicContact CG1-CD2 4.21Å; V748-F768 HydrophobicContact CG2-CB 4.01Å; V748-F768 HydrophobicContact CG2-CD2 4.18Å; V748-I771 HydrophobicContact CB-CD1 3.84Å; V748-I771 HydrophobicContact CG1-CD1 4.19Å; V748-I771 HydrophobicContact CG1-CG2 4.47Å; V748-I771 HydrophobicContact CG2-CD1 3.95Å
749A84Confident76.8Confident26 Ų2667.2 Ų67.222%0.21538%0.376CS..EExtended strand (participates in β ladder)trans-113.2125.817900000109.8V741 E761V741-A749 HydrophobicContact CG1-CB 3.81Å; A749-E761 PolarHBondContact N-O 3.28Å; A749-E761 PolarHBondContact O-N 3.42Å
750V83.9Confident77.5Confident0 Ų065 Ų650%034%0.344CS..EExtended strand (participates in β ladder)trans-109.2115.1175.6-173.60000108.1L721 F724 L742 I758 G759 L760 I771L721-V750 HydrophobicContact CD2-CG1 3.76Å; F724-V750 HydrophobicContact CE1-CG2 4.35Å; L742-V750 HydrophobicContact CB-CB 4.3Å; L742-V750 PolarHBondContact N-O 3.33Å; L742-V750 PolarHBondContact O-N 2.93Å; V750-I758 HydrophobicContact CG1-CG2 3.44Å; V750-I758 VanDerWaalsContact CG1-CG2 3.44Å; V750-G759 WeakPolarHBondContact CA-O 3.39Å; V750-L760 HydrophobicContact CG2-CD1 3.96Å; V750-L760 HydrophobicContact CG2-CG 4.21Å; V750-I771 HydrophobicContact CG2-CG2 4.23Å
751R84.7Confident78Confident105 Ų10566.6 Ų66.640%0.39634%0.337SS..EExtended strand (participates in β ladder)trans-121144.4-176.766.7178.5-176.8134.5-5.2111.3V741 I758 G759 E761V741-R751 HydrophobicContact CG1-CB 4.14Å; V741-R751 HydrophobicContact CG2-CB 4.03Å; R751-I758 CarbonylContact O-C 3.49Å; R751-I758 WeakPolarHBondContact O-CA 3.3Å; R751-G759 PolarHBondContact N-O 2.94Å; R751-G759 PolarHBondContact O-N 2.8Å; R751-E761 IonicContact CZ-OE1 3.52Å; R751-E761 VanDerWaalsContact NE-CD 3.3Å; R751-E761 IonicContact NE-OE1 2.8Å; R751-E761 PolarHBondContact NE-OE1 3.26Å; R751-E761 IonicContact NE-OE2 3.44Å; R751-E761 PolarHBondContact NE-OE2 3.14Å; R751-E761 IonicContact NH2-OE1 3.59Å; R751-E761 PolarHBondContact NH2-OE1 3.03Å
752R79.7Confident78Confident119 Ų11966.6 Ų66.645%0.44935%0.345SS..EExtended strand (participates in β ladder)trans-95.1126167.2-163175-172.2-175.81.4108.4E718 L721 G756 R757E718-R752 IonicContact OE2-CZ 2.65Å; E718-R752 IonicContact OE2-NH2 2.77Å; E718-R752 PolarHBondContact OE2-NH2 3.03Å; L721-R752 HydrophobicContact CD1-CB 4.19Å; R752-G756 PolarHBondContact NE-O 3.07Å; R752-R757 CarbonylContact C-O 3.54Å; R752-R757 WeakPolarHBondContact CA-O 3.44Å
753T73Confident77.7Confident44 Ų4471.2 Ų71.227%0.2738%0.376SS..  trans-79.6162174.156.90000110.7T755 G756 R757T753-T755 PolarHBondContact O-N 2.84Å; T753-T755 PolarHBondContact OG1-OG1 2.88Å; T753-G756 PolarHBondContact O-N 2.91Å; T753-R757 PolarHBondContact N-O 3.44Å; T753-R757 PolarHBondContact OG1-N 2.8Å; T753-R757 PolarHBondContact OG1-O 3.25Å; T753-R757 VanDerWaalsContact OG1-O 3.1Å
754E59.3Low77.5Confident212 Ų21275.8 Ų75.899%0.99140%0.399SS*.THydrogen-bonded Turntrans-59.2-19.8179.3-64.3176.8177.200113.4G756E754-G756 VanDerWaalsContact C-N 3.29Å
755T59.7Low77.4Confident115 Ų11577.2 Ų77.271%0.70641%0.408SS*.THydrogen-bonded Turntrans-86.77.1175.550.20000113.6T753 R757T753-T755 PolarHBondContact O-N 2.84Å; T753-T755 PolarHBondContact OG1-OG1 2.88Å; T755-R757 VanDerWaalsContact C-N 3.32Å; T755-R757 PolarHBondContact O-N 2.84Å
756G62.5Low77.3Confident34 Ų3483.5 Ų83.535%0.35144%0.436SS..SBendtrans84.4-5.1177.400000115.3R752 T753 E754R752-G756 PolarHBondContact NE-O 3.07Å; T753-G756 PolarHBondContact O-N 2.91Å; E754-G756 VanDerWaalsContact C-N 3.29Å
757R70.9Confident77.3Confident188 Ų18878.9 Ų78.971%0.70941%0.411SS*.PPolyproline II helixtrans-78.3143.8179.6-61.4-177.9178-176-1.1111.6R752 T753 T755R752-R757 CarbonylContact C-O 3.54Å; R752-R757 WeakPolarHBondContact CA-O 3.44Å; T753-R757 PolarHBondContact N-O 3.44Å; T753-R757 PolarHBondContact OG1-N 2.8Å; T753-R757 PolarHBondContact OG1-O 3.25Å; T753-R757 VanDerWaalsContact OG1-O 3.1Å; T755-R757 VanDerWaalsContact C-N 3.32Å; T755-R757 PolarHBondContact O-N 2.84Å
758I78.1Confident77.6Confident36 Ų3675.3 Ų75.319%0.18539%0.394CS..EExtended strand (participates in β ladder)trans-92.6118173.5-56.8-171.2000108.8P719 L721 V750 R751 L775 Y779P719-I758 HydrophobicContact CG-CD1 3.86Å; L721-I758 HydrophobicContact CD2-CD1 4.33Å; V750-I758 HydrophobicContact CG1-CG2 3.44Å; V750-I758 VanDerWaalsContact CG1-CG2 3.44Å; R751-I758 CarbonylContact O-C 3.49Å; R751-I758 WeakPolarHBondContact O-CA 3.3Å; I758-L775 HydrophobicContact CG2-CD2 4.05Å; I758-Y779 VanDerWaalsContact CD1-OH 3.28Å; I758-Y779 WeakPolarHBondContact CD1-OH 3.44Å
759G79.1Confident77.5Confident21 Ų2180 Ų8022%0.21641%0.413CS..EExtended strand (participates in β ladder)trans-98.1136.9170.900000110.6V750 R751V750-G759 WeakPolarHBondContact CA-O 3.39Å; R751-G759 PolarHBondContact N-O 2.94Å; R751-G759 PolarHBondContact O-N 2.8Å
760L84.7Confident77.5Confident37 Ų3784.5 Ų84.519%0.19442%0.424CS..EExtended strand (participates in β ladder)trans-117.2117.5176.5-172.1145.3000108.1V748 V750 F768 I771 R772 L775V748-L760 HydrophobicContact CG1-CD1 4.4Å; V748-L760 HydrophobicContact CG1-CD2 3.89Å; V748-L760 HydrophobicContact CG1-CG 3.93Å; V750-L760 HydrophobicContact CG2-CD1 3.96Å; V750-L760 HydrophobicContact CG2-CG 4.21Å; L760-F768 HydrophobicContact CD2-CD1 4.34Å; L760-F768 HydrophobicContact CD2-CD2 3.57Å; L760-F768 HydrophobicContact CD2-CE1 3.97Å; L760-F768 HydrophobicContact CD2-CE2 3.15Å; L760-F768 HydrophobicContact CD2-CG 4.16Å; L760-F768 HydrophobicContact CD2-CZ 3.35Å; L760-I771 HydrophobicContact CD1-CG2 3.84Å; L760-R772 HydrophobicContact CD1-CB 4.39Å; L760-L775 HydrophobicContact CD1-CD2 4.03Å
761E82.5Confident77.5Confident92 Ų9284.5 Ų84.543%0.4342%0.424SS..EExtended strand (participates in β ladder)trans-126132.4-172.4-68.8178.1179.700110A749 R751A749-E761 PolarHBondContact N-O 3.28Å; A749-E761 PolarHBondContact O-N 3.42Å; R751-E761 IonicContact CZ-OE1 3.52Å; R751-E761 VanDerWaalsContact NE-CD 3.3Å; R751-E761 IonicContact NE-OE1 2.8Å; R751-E761 PolarHBondContact NE-OE1 3.26Å; R751-E761 IonicContact NE-OE2 3.44Å; R751-E761 PolarHBondContact NE-OE2 3.14Å; R751-E761 IonicContact NH2-OE1 3.59Å; R751-E761 PolarHBondContact NH2-OE1 3.03Å
762G82.4Confident77.4Confident40 Ų4083.6 Ų83.641%0.41242%0.421SS..EExtended strand (participates in β ladder)trans170.9173.9-179.700000113Q747Q747-G762 WeakPolarHBondContact O-CA 3.48Å
763C77.9Confident77.5Confident97 Ų9781.4 Ų81.466%0.65542%0.418SS*.  trans-68.2140.4172.1-69.30000110C765 F768C763-C765 VanDerWaalsContact C-N 3.33Å; C763-C765 PolarHBondContact O-N 3.2Å; C763-C765 PolarHBondContact O-SG 3.44Å; C763-F768 WeakPolarHBondContact O-CB 3.3Å
764L78.9Confident77.9Confident131 Ų13180 Ų8069%0.68641%0.409SS*.SBendtrans-68.288.4176.1-65.5171.9000110.2F768L764-F768 HydrophobicContact CD2-CD1 4.07Å; L764-F768 HydrophobicContact CD2-CE1 3.94Å; L764-F768 HydrophobicContact CD2-CZ 4.33Å
765C80.4Confident78.9Confident30 Ų3070.5 Ų70.520%0.20337%0.365CS..SBendtrans-123171176.561.90000111Q747 C763 D767 F768 Y769Q747-C765 PolarHBondContact OE1-SG 2.9Å; C763-C765 VanDerWaalsContact C-N 3.33Å; C763-C765 PolarHBondContact O-N 3.2Å; C763-C765 PolarHBondContact O-SG 3.44Å; C765-D767 PolarHBondContact O-N 3.22Å; C765-F768 WeakPolarHBondContact O-CB 3.37Å; C765-F768 PolarHBondContact O-N 3.28Å; C765-F768 PolarHBondContact SG-N 3.39Å; C765-Y769 VanDerWaalsContact O-CD2 3.3Å; C765-Y769 WeakPolarHBondContact O-CD2 3.42Å; C765-Y769 PolarHBondContact O-N 3.34Å
766Q79.7Confident79.8Confident177 Ų17770.3 Ų70.383%0.82735%0.352SS*.Hα-helixtrans-57.2-36.4176.6-81.9-178.8-15.900112.1F768 Y769 R770Q766-F768 VanDerWaalsContact C-N 3.33Å; Q766-F768 PolarHBondContact O-N 3.45Å; Q766-Y769 PolarHBondContact O-N 3Å; Q766-R770 WeakPolarHBondContact O-CB 3.49Å; Q766-R770 PolarHBondContact O-N 3.34Å
767D79.8Confident80.4Confident47 Ų4775.3 Ų75.325%0.25137%0.366SS..Hα-helixtrans-65.1-35.6176.4-69.1-5.6000111.9N745 C765 R770 I771N745-D767 PolarHBondContact ND2-OD2 2.98Å; C765-D767 PolarHBondContact O-N 3.22Å; D767-R770 PolarHBondContact O-N 2.75Å; D767-I771 HydrophobicContact CB-CD1 4.39Å; D767-I771 VanDerWaalsContact O-CB 3.31Å; D767-I771 WeakPolarHBondContact O-CB 3.05Å; D767-I771 VanDerWaalsContact O-CD1 3.29Å; D767-I771 WeakPolarHBondContact O-CD1 3.49Å; D767-I771 WeakPolarHBondContact O-CG1 3.46Å; D767-I771 PolarHBondContact O-N 2.88Å
768F83.5Confident80.6Confident28 Ų2869.3 Ų69.312%0.12335%0.346CS..Hα-helixtrans-60.6-48.1175.4-178.8-82.3000111.9V748 L760 C763 L764 C765 Q766 R772V748-F768 HydrophobicContact CG1-CD2 4.21Å; V748-F768 HydrophobicContact CG2-CB 4.01Å; V748-F768 HydrophobicContact CG2-CD2 4.18Å; L760-F768 HydrophobicContact CD2-CD1 4.34Å; L760-F768 HydrophobicContact CD2-CD2 3.57Å; L760-F768 HydrophobicContact CD2-CE1 3.97Å; L760-F768 HydrophobicContact CD2-CE2 3.15Å; L760-F768 HydrophobicContact CD2-CG 4.16Å; L760-F768 HydrophobicContact CD2-CZ 3.35Å; C763-F768 WeakPolarHBondContact O-CB 3.3Å; L764-F768 HydrophobicContact CD2-CD1 4.07Å; L764-F768 HydrophobicContact CD2-CE1 3.94Å; L764-F768 HydrophobicContact CD2-CZ 4.33Å; C765-F768 WeakPolarHBondContact O-CB 3.37Å; C765-F768 PolarHBondContact O-N 3.28Å; C765-F768 PolarHBondContact SG-N 3.39Å; Q766-F768 VanDerWaalsContact C-N 3.33Å; Q766-F768 PolarHBondContact O-N 3.45Å; F768-R772 VanDerWaalsContact O-CB 3.26Å; F768-R772 WeakPolarHBondContact O-CB 3.49Å; F768-R772 PolarHBondContact O-N 3.37Å
769Y83.4Confident80.2Confident101 Ų10169.7 Ų69.740%0.39635%0.345SS..Hα-helixtrans-66.7-41.9178.2-68.1-71.3000111.3C765 Q766 R772 D773C765-Y769 VanDerWaalsContact O-CD2 3.3Å; C765-Y769 WeakPolarHBondContact O-CD2 3.42Å; C765-Y769 PolarHBondContact O-N 3.34Å; Q766-Y769 PolarHBondContact O-N 3Å; Y769-R772 WeakPolarHBondContact O-CB 3.49Å; Y769-R772 PolarHBondContact O-N 2.84Å; Y769-D773 WeakPolarHBondContact O-CB 3.46Å; Y769-D773 PolarHBondContact O-N 2.8Å
770R82.8Confident79.4Confident120 Ų12069.1 Ų69.145%0.45334%0.338SS..Hα-helixtrans-63.6-43.5178.1-169.4172.2-179.4179.3-3.6112.7E731 I733 Q766 D767 R772 D773 L774E731-R770 IonicContact OE2-CZ 3.98Å; E731-R770 IonicContact OE2-NH2 2.94Å; E731-R770 PolarHBondContact OE2-NH2 3.25Å; I733-R770 HydrophobicContact CD1-CG 4.5Å; Q766-R770 WeakPolarHBondContact O-CB 3.49Å; Q766-R770 PolarHBondContact O-N 3.34Å; D767-R770 PolarHBondContact O-N 2.75Å; R770-R772 VanDerWaalsContact C-N 3.34Å; R770-D773 PolarHBondContact O-N 2.74Å; R770-L774 HydrophobicContact CG-CD1 4.37Å; R770-L774 WeakPolarHBondContact O-CB 3.45Å; R770-L774 VanDerWaalsContact O-CG 3.27Å; R770-L774 WeakPolarHBondContact O-CG 3.26Å; R770-L774 PolarHBondContact O-N 2.81Å
771I83.6Confident78.4Confident0 Ų070.4 Ų70.40%035%0.345CS..Hα-helixtrans-67.1-38177.1-66162.2000110.5F724 L728 I733 C744 V748 V750 L760 D767 L775F724-I771 HydrophobicContact CE1-CG2 4.21Å; F724-I771 HydrophobicContact CZ-CG2 4.12Å; L728-I771 HydrophobicContact CD2-CG1 4.07Å; L728-I771 HydrophobicContact CD2-CG2 4.16Å; I733-I771 HydrophobicContact CD1-CG1 3.81Å; I733-I771 HydrophobicContact CG2-CD1 4.2Å; I733-I771 HydrophobicContact CG2-CG1 4.34Å; C744-I771 HydrophobicContact CB-CD1 3.47Å; C744-I771 VanDerWaalsContact CB-CD1 3.47Å; C744-I771 HydrophobicContact CB-CG1 4.47Å; V748-I771 HydrophobicContact CB-CD1 3.84Å; V748-I771 HydrophobicContact CG1-CD1 4.19Å; V748-I771 HydrophobicContact CG1-CG2 4.47Å; V748-I771 HydrophobicContact CG2-CD1 3.95Å; V750-I771 HydrophobicContact CG2-CG2 4.23Å; L760-I771 HydrophobicContact CD1-CG2 3.84Å; D767-I771 HydrophobicContact CB-CD1 4.39Å; D767-I771 VanDerWaalsContact O-CB 3.31Å; D767-I771 WeakPolarHBondContact O-CB 3.05Å; D767-I771 VanDerWaalsContact O-CD1 3.29Å; D767-I771 WeakPolarHBondContact O-CD1 3.49Å; D767-I771 WeakPolarHBondContact O-CG1 3.46Å; D767-I771 PolarHBondContact O-N 2.88Å; I771-L775 VanDerWaalsContact O-CB 3.3Å; I771-L775 WeakPolarHBondContact O-CB 3.29Å; I771-L775 PolarHBondContact O-N 3.46Å
772R83.4Confident77.3Confident87 Ų8767.5 Ų67.533%0.32833%0.333SS..Hα-helixtrans-63.8-44.8175.8-176.3-162.668.9177.3-0.4111.6L760 F768 Y769 R770 L775 Y776L760-R772 HydrophobicContact CD1-CB 4.39Å; F768-R772 VanDerWaalsContact O-CB 3.26Å; F768-R772 WeakPolarHBondContact O-CB 3.49Å; F768-R772 PolarHBondContact O-N 3.37Å; Y769-R772 WeakPolarHBondContact O-CB 3.49Å; Y769-R772 PolarHBondContact O-N 2.84Å; R770-R772 VanDerWaalsContact C-N 3.34Å; R772-L775 WeakPolarHBondContact O-CB 3.27Å; R772-L775 PolarHBondContact O-N 3.04Å; R772-Y776 HydrophobicContact CG-CD2 3.87Å; R772-Y776 HydrophobicContact CG-CE2 3.53Å; R772-Y776 VanDerWaalsContact O-CD2 3.3Å; R772-Y776 WeakPolarHBondContact O-CD2 3.31Å; R772-Y776 PolarHBondContact O-N 3.47Å
773D82.6Confident77.1Confident72 Ų7268.9 Ų68.939%0.38533%0.329SS..Hα-helixtrans-67.2-43.2-179.2-61.1-13.9000110.3Y769 R770 L775 Y776 E777Y769-D773 WeakPolarHBondContact O-CB 3.46Å; Y769-D773 PolarHBondContact O-N 2.8Å; R770-D773 PolarHBondContact O-N 2.74Å; D773-L775 VanDerWaalsContact C-N 3.27Å; D773-L775 PolarHBondContact O-N 3.26Å; D773-Y776 PolarHBondContact O-N 2.82Å; D773-Y776 VanDerWaalsContact O-N 3.15Å; D773-E777 WeakPolarHBondContact O-CG 3.26Å; D773-E777 PolarHBondContact O-N 2.91Å
774L81.4Confident77Confident15 Ų1567.4 Ų67.48%0.07931%0.312CS..Hα-helixtrans-60.5-33.9171.8-71.8171.8000113.1F724 L728 E731 I733 R770 Q778F724-L774 HydrophobicContact CE2-CB 4.19Å; F724-L774 HydrophobicContact CZ-CB 4.5Å; L728-L774 HydrophobicContact CD2-CD1 4.09Å; E731-L774 HydrophobicContact CB-CD1 4.09Å; E731-L774 HydrophobicContact CG-CD1 3.98Å; E731-L774 HydrophobicContact CG-CD2 3.96Å; I733-L774 HydrophobicContact CD1-CD1 3.9Å; R770-L774 HydrophobicContact CG-CD1 4.37Å; R770-L774 WeakPolarHBondContact O-CB 3.45Å; R770-L774 VanDerWaalsContact O-CG 3.27Å; R770-L774 WeakPolarHBondContact O-CG 3.26Å; R770-L774 PolarHBondContact O-N 2.81Å; L774-Q778 WeakPolarHBondContact O-CG 3.44Å
775L79.8Confident76.9Confident13 Ų1363.8 Ų63.87%0.06829%0.292CS..Hα-helixtrans-70-41.2176-177.265.4000111.1F724 I758 L760 I771 R772 D773 E777 Q778 Y779F724-L775 HydrophobicContact CD1-CD1 4.07Å; F724-L775 HydrophobicContact CD2-CD1 4.2Å; F724-L775 HydrophobicContact CE1-CB 4.32Å; F724-L775 HydrophobicContact CE1-CD1 3.89Å; F724-L775 HydrophobicContact CE2-CB 3.98Å; F724-L775 HydrophobicContact CE2-CD1 4.04Å; F724-L775 HydrophobicContact CG-CD1 4.22Å; F724-L775 HydrophobicContact CZ-CB 3.64Å; F724-L775 HydrophobicContact CZ-CD1 3.88Å; F724-L775 HydrophobicContact CZ-CG 4.34Å; I758-L775 HydrophobicContact CG2-CD2 4.05Å; L760-L775 HydrophobicContact CD1-CD2 4.03Å; I771-L775 VanDerWaalsContact O-CB 3.3Å; I771-L775 WeakPolarHBondContact O-CB 3.29Å; I771-L775 PolarHBondContact O-N 3.46Å; R772-L775 WeakPolarHBondContact O-CB 3.27Å; R772-L775 PolarHBondContact O-N 3.04Å; D773-L775 VanDerWaalsContact C-N 3.27Å; D773-L775 PolarHBondContact O-N 3.26Å; L775-E777 VanDerWaalsContact C-N 3.34Å; L775-Q778 WeakPolarHBondContact O-CB 3.33Å; L775-Q778 PolarHBondContact O-N 2.84Å; L775-Y779 HydrophobicContact CD1-CE2 4.35Å; L775-Y779 HydrophobicContact CG-CE2 4.26Å; L775-Y779 VanDerWaalsContact O-CD2 3.27Å; L775-Y779 WeakPolarHBondContact O-CD2 3.09Å
776Y77.5Confident76.7Confident110 Ų11065.8 Ų65.843%0.43130%0.297SS..Hα-helixtrans-66.5-34.8176.4-77.6-51.5000112.7F715 R772 D773 Q778 Y779 I781F715-Y776 HydrophobicContact CE1-CD1 4.03Å; F715-Y776 AromaticContact CE1-CE1 3.83Å; F715-Y776 HydrophobicContact CE1-CE1 3.83Å; F715-Y776 HydrophobicContact CZ-CE1 4.3Å; R772-Y776 HydrophobicContact CG-CD2 3.87Å; R772-Y776 HydrophobicContact CG-CE2 3.53Å; R772-Y776 VanDerWaalsContact O-CD2 3.3Å; R772-Y776 WeakPolarHBondContact O-CD2 3.31Å; R772-Y776 PolarHBondContact O-N 3.47Å; D773-Y776 PolarHBondContact O-N 2.82Å; D773-Y776 VanDerWaalsContact O-N 3.15Å; Y776-Q778 PolarHBondContact O-N 3.44Å; Y776-Q778 VanDerWaalsContact O-N 3.16Å; Y776-Y779 PolarHBondContact O-N 3.09Å; Y776-I781 HydrophobicContact CD1-CD1 3.8Å; Y776-I781 HydrophobicContact CG-CD1 4.29Å
777E76.8Confident76.5Confident140 Ų14058.9 Ų58.965%0.65426%0.264SS*.THydrogen-bonded Turntrans-61.8-19.2173-73.2176.3-177.900113.7D773 L775 Y779D773-E777 WeakPolarHBondContact O-CG 3.26Å; D773-E777 PolarHBondContact O-N 2.91Å; L775-E777 VanDerWaalsContact C-N 3.34Å; E777-Y779 VanDerWaalsContact C-N 3.34Å
778Q73.7Confident76.3Confident62 Ų6259.7 Ų59.729%0.2926%0.264SS..THydrogen-bonded Turntrans-81-15.2174.4-58.3-52.1-65.100113.4N717 P719 F724 L774 L775 Y776N717-Q778 PolarHBondContact ND2-O 3.28Å; P719-Q778 HydrophobicContact CB-CB 4.04Å; F724-Q778 HydrophobicContact CD2-CG 3.84Å; F724-Q778 HydrophobicContact CE2-CG 4.27Å; L774-Q778 WeakPolarHBondContact O-CG 3.44Å; L775-Q778 WeakPolarHBondContact O-CB 3.33Å; L775-Q778 PolarHBondContact O-N 2.84Å; Y776-Q778 PolarHBondContact O-N 3.44Å; Y776-Q778 VanDerWaalsContact O-N 3.16Å
779Y69.6Low75.8Confident43 Ų4361.9 Ų61.917%0.16928%0.275CS..SBendtrans-95.7139.1175.1-68.4-83.6000109.8F715 N717 P719 I758 L775 Y776 E777 I781F715-Y779 HydrophobicContact CB-CD1 3.96Å; F715-Y779 HydrophobicContact CB-CE1 4.43Å; F715-Y779 HydrophobicContact CD1-CD1 4.24Å; F715-Y779 HydrophobicContact CD1-CG 4.03Å; N717-Y779 VanDerWaalsContact O-CD1 3.31Å; N717-Y779 WeakPolarHBondContact O-CD1 3.4Å; N717-Y779 WeakPolarHBondContact O-CE1 3.3Å; P719-Y779 VanDerWaalsContact CD-CZ 3.41Å; P719-Y779 WeakPolarHBondContact CD-OH 3.45Å; P719-Y779 HydrophobicContact CG-CD1 4.34Å; P719-Y779 HydrophobicContact CG-CD2 4.34Å; P719-Y779 HydrophobicContact CG-CE1 3.67Å; P719-Y779 HydrophobicContact CG-CE2 3.65Å; P719-Y779 VanDerWaalsContact CG-OH 3.32Å; P719-Y779 WeakPolarHBondContact CG-OH 3.32Å; I758-Y779 VanDerWaalsContact CD1-OH 3.28Å; I758-Y779 WeakPolarHBondContact CD1-OH 3.44Å; L775-Y779 HydrophobicContact CD1-CE2 4.35Å; L775-Y779 HydrophobicContact CG-CE2 4.26Å; L775-Y779 VanDerWaalsContact O-CD2 3.27Å; L775-Y779 WeakPolarHBondContact O-CD2 3.09Å; Y776-Y779 PolarHBondContact O-N 3.09Å; E777-Y779 VanDerWaalsContact C-N 3.34Å; Y779-I781 PolarHBondContact O-N 3.05Å
780A63.1Low75.2Confident9 Ų958.9 Ų58.97%0.07427%0.265CS..EExtended strand (participates in β ladder)trans-81.2103.7159.400000106.2A623 M716A623-A780 HydrophobicContact CB-CB 3.7Å; M716-A780 HydrophobicContact CB-CB 4.2Å; M716-A780 PolarHBondContact N-O 3.42Å; M716-A780 PolarHBondContact O-N 2.96Å
781I63.8Low74.6Confident64 Ų6453.8 Ų53.833%0.32825%0.25SC..EExtended strand (participates in β ladder)trans-97.2114.1179.6-51.9174.6000106.2F715 Y776 Y779F715-I781 HydrophobicContact CD1-CD1 4.15Å; F715-I781 HydrophobicContact CD1-CG1 3.79Å; F715-I781 HydrophobicContact CE1-CD1 3.7Å; F715-I781 HydrophobicContact CE1-CG1 3.82Å; F715-I781 HydrophobicContact CE1-CG2 4.34Å; Y776-I781 HydrophobicContact CD1-CD1 3.8Å; Y776-I781 HydrophobicContact CG-CD1 4.29Å; Y779-I781 PolarHBondContact O-N 3.05Å
782V59.5Low73.8Confident31 Ų3158.7 Ų58.719%0.18827%0.272CS..  trans-110.20170.9178.10000110.2C621 L628 W630 H711 V714C621-V782 HydrophobicContact CB-CG2 3.77Å; L628-V782 HydrophobicContact CB-CG2 4.26Å; L628-V782 HydrophobicContact CD2-CB 3.69Å; L628-V782 HydrophobicContact CD2-CG1 3.91Å; L628-V782 HydrophobicContact CD2-CG2 3.29Å; L628-V782 HydrophobicContact CG-CG2 4.36Å; W630-V782 HydrophobicContact CB-CG1 3.69Å; H711-V782 PolarHBondContact CE1-OXT 3.17Å; V714-V782 PolarHBondContact N-O 3.41Å; V714-V782 PolarHBondContact O-N 3.01Å

Retrieved 782 of 782 residues in 191.6 ms (Link to these results)

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