A0A077ZGR2_TRITR Loading...

Cleavage and polyadenylation specificity factor subunit 2

CPSF plays 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.

AlphaFold DB , UniProt , Accession A0A077ZGR2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 787 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
1M64.2Low89Confident14 Ų1418.4 Ų18.47%0.06910%0.099CC..  0122.40-159.9-179-153.700107.2S3 V5 V25 K164 E167 I170M1-S3 PolarHBondContact O-N 2.86Å; M1-V5 HydrophobicContact SD-CG2 4.04Å; M1-V25 HydrophobicContact CE-CG1 4.08Å; M1-K164 HydrophobicContact CE-CB 3.69Å; M1-E167 VanDerWaalsContact C-OE2 3.31Å; M1-E167 WeakPolarHBondContact CA-OE2 3.49Å; M1-E167 HydrophobicContact CG-CB 4.35Å; M1-E167 WeakPolarHBondContact CG-OE2 3.45Å; M1-I170 HydrophobicContact CE-CD1 4.1Å; M1-I170 HydrophobicContact CE-CG1 4.42Å; M1-I170 HydrophobicContact SD-CD1 3.64Å; M1-I170 HydrophobicContact SD-CG1 3.78Å
2T74Confident89.4Confident80 Ų8016.8 Ų16.849%0.4919%0.091SC..  trans-90.958.9173.343.90000109.2K164 E167 E617T2-K164 PolarHBondContact O-NZ 3.14Å; T2-E167 PolarHBondContact N-OE2 3.16Å; T2-E167 PolarHBondContact OG1-OE1 2.89Å; T2-E167 PolarHBondContact OG1-OE2 2.99Å; T2-E617 HydrophobicContact CG2-CG 3.92Å
3S83.2Confident89.8Confident1 Ų115.8 Ų15.81%0.0079%0.085CC..SBendtrans-137.3149.1177.3-77.50000109.6M1 V5 D26 K164M1-S3 PolarHBondContact O-N 2.86Å; S3-V5 PolarHBondContact O-N 2.83Å; S3-D26 WeakPolarHBondContact CA-OD1 3.47Å; S3-D26 WeakPolarHBondContact CB-OD1 3.41Å; S3-D26 WeakPolarHBondContact CB-OD2 3.43Å; S3-D26 VanDerWaalsContact OG-CG 3.3Å; S3-D26 PolarHBondContact OG-OD1 3.22Å; S3-D26 PolarHBondContact OG-OD2 2.89Å; S3-K164 WeakPolarHBondContact OG-CD 3.26Å; S3-K164 PolarHBondContact OG-NZ 2.97Å
4I87.2Confident90.1Very high20 Ų2018.9 Ų18.910%0.10310%0.1CC..  trans-70.9124.9167.3-61.3176.3000107K6 V25 D26 T615 I620 Q622I4-K6 HydrophobicContact CG2-CD 4.25Å; I4-K6 HydrophobicContact CG2-CG 4.16Å; I4-V25 CarbonylContact O-C 3.55Å; I4-V25 WeakPolarHBondContact O-CA 3.32Å; I4-D26 PolarHBondContact N-OD1 2.93Å; I4-D26 PolarHBondContact O-N 3.22Å; I4-T615 WeakPolarHBondContact CA-OG1 3.43Å; I4-I620 HydrophobicContact CD1-CG2 4.16Å; I4-I620 HydrophobicContact CG1-CG2 3.71Å; I4-Q622 HydrophobicContact CD1-CB 3.92Å
5V92.9Very high90.2Very high7 Ų721.1 Ų21.14%0.04211%0.112CC..EExtended strand (participates in β ladder)trans-126.6113.3-179.9-175.20000109M1 S3 L23 Q24 I170 L197 A614 T615M1-V5 HydrophobicContact SD-CG2 4.04Å; S3-V5 PolarHBondContact O-N 2.83Å; V5-L23 HydrophobicContact CG1-CD1 3.89Å; V5-Q24 WeakPolarHBondContact CA-O 3.11Å; V5-I170 HydrophobicContact CB-CD1 4.48Å; V5-I170 HydrophobicContact CG1-CD1 3.74Å; V5-I170 HydrophobicContact CG2-CD1 3.83Å; V5-L197 HydrophobicContact CG1-CD2 3.7Å; V5-A614 HydrophobicContact CG1-CB 4.41Å; V5-A614 PolarHBondContact O-N 3.09Å; V5-T615 PolarHBondContact N-OG1 3.08Å; V5-T615 PolarHBondContact O-N 3.38Å
6K95.1Very high90.3Very high56 Ų5623.4 Ų23.424%0.24312%0.122CC..EExtended strand (participates in β ladder)trans-127.2142.3178.2-62.5175.8-178.3175.10110.7I4 L23 Q24 V611 V612 D613I4-K6 HydrophobicContact CG2-CD 4.25Å; I4-K6 HydrophobicContact CG2-CG 4.16Å; K6-L23 CarbonylContact O-C 3.51Å; K6-L23 WeakPolarHBondContact O-CA 3.46Å; K6-Q24 HydrophobicContact CB-CB 4.2Å; K6-Q24 PolarHBondContact N-O 3.27Å; K6-Q24 PolarHBondContact O-N 2.87Å; K6-V611 HydrophobicContact CB-CG1 4.08Å; K6-V611 HydrophobicContact CD-CG1 4.21Å; K6-V611 HydrophobicContact CG-CG1 4.47Å; K6-V612 CarbonylContact C-O 3.47Å; K6-V612 WeakPolarHBondContact CA-O 3.31Å; K6-D613 WeakPolarHBondContact CE-OD2 3.25Å; K6-D613 HydrophobicContact CG-CB 4.35Å
7L97.7Very high90.4Very high1 Ų123.2 Ų23.21%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-124127.8175.2-170.482.8000109.9V22 L23 L32 I199 I576 V578 V612L7-V22 CarbonylContact C-O 3.46Å; L7-V22 WeakPolarHBondContact CA-O 3.43Å; L7-L23 HydrophobicContact CD1-CB 3.84Å; L7-L23 HydrophobicContact CD1-CD1 4.05Å; L7-L32 HydrophobicContact CD1-CD1 4.21Å; L7-I199 HydrophobicContact CD1-CD1 3.97Å; L7-I199 HydrophobicContact CD2-CD1 4.43Å; L7-I199 HydrophobicContact CD2-CG2 4.47Å; L7-I576 HydrophobicContact CB-CD1 3.89Å; L7-I576 HydrophobicContact CD2-CB 4.45Å; L7-I576 HydrophobicContact CD2-CD1 3.91Å; L7-I576 HydrophobicContact CD2-CG2 3.67Å; L7-V578 HydrophobicContact CD2-CG1 4.44Å; L7-V612 PolarHBondContact N-O 3.22Å; L7-V612 PolarHBondContact O-N 3.37Å
8E97.3Very high90.7Very high13 Ų1322.7 Ų22.76%0.06112%0.12CC..EExtended strand (participates in β ladder)trans-115.8117.2168.4-174.4-178.9140.800109.9L10 V22 W51 V611 Y697E8-L10 HydrophobicContact CG-CD2 4.31Å; E8-L10 WeakPolarHBondContact OE1-CD2 3.44Å; E8-V22 HydrophobicContact CB-CB 4.49Å; E8-V22 PolarHBondContact N-O 3.29Å; E8-V22 PolarHBondContact O-N 2.68Å; E8-W51 PolarHBondContact OE1-NE1 3.11Å; E8-W51 VanDerWaalsContact OE2-CZ2 3.27Å; E8-W51 WeakPolarHBondContact OE2-CZ2 3.29Å; E8-V611 HydrophobicContact CB-CG2 4.2Å; E8-V611 HydrophobicContact CG-CG2 4.2Å; E8-V611 WeakPolarHBondContact OE2-CG2 3.4Å; E8-Y697 PolarHBondContact OE2-OH 3.31Å
9P96.9Very high91.1Very high0 Ų021.5 Ų21.50%011%0.114CC..EExtended strand (participates in β ladder)trans-83.1123.8174.133.8-34.1000112V13 Y21 P606 K607 G609 E610P9-V13 HydrophobicContact CB-CB 4.22Å; P9-V13 HydrophobicContact CB-CG1 3.4Å; P9-V13 HydrophobicContact CB-CG2 3.73Å; P9-V13 HydrophobicContact CG-CB 4.41Å; P9-V13 HydrophobicContact CG-CG1 3.85Å; P9-V13 HydrophobicContact CG-CG2 3.79Å; P9-Y21 HydrophobicContact CB-CD1 3.71Å; P9-Y21 HydrophobicContact CB-CE1 4.15Å; P9-P606 HydrophobicContact CG-CB 3.91Å; P9-P606 HydrophobicContact CG-CG 4.25Å; P9-K607 WeakPolarHBondContact CG-O 3.48Å; P9-G609 PolarHBondContact O-N 3.26Å; P9-E610 WeakPolarHBondContact CD-O 3.45Å
10L95.6Very high91.4Very high2 Ų220.4 Ų20.41%0.0111%0.108CC..EExtended strand (participates in β ladder)trans-92.6-20.3176.6-58.3-177.5000112.4E8 C20 V22 Y44 R47 L48 W51 L608E8-L10 HydrophobicContact CG-CD2 4.31Å; E8-L10 WeakPolarHBondContact OE1-CD2 3.44Å; L10-C20 HydrophobicContact CB-CB 4.47Å; L10-C20 PolarHBondContact N-O 2.89Å; L10-V22 HydrophobicContact CD1-CG2 3.67Å; L10-V22 HydrophobicContact CG-CG2 4.14Å; L10-Y44 HydrophobicContact CB-CE2 4.49Å; L10-R47 PolarHBondContact O-NH2 3.48Å; L10-L48 HydrophobicContact CD1-CD2 3.32Å; L10-L48 HydrophobicContact CD1-CG 3.93Å; L10-W51 HydrophobicContact CD1-CG 4.49Å; L10-L608 WeakPolarHBondContact O-CD1 3.24Å
11S95.1Very high91.7Very high8 Ų819.4 Ų19.46%0.05610%0.103CC..EExtended strand (participates in β ladder)trans-161.6-178.5170.858.60000110V13 P18 C20 Y21 Y44S11-V13 PolarHBondContact O-N 3.03Å; S11-P18 VanDerWaalsContact CB-O 3.22Å; S11-P18 WeakPolarHBondContact CB-O 3.36Å; S11-P18 PolarHBondContact OG-O 3.12Å; S11-C20 PolarHBondContact N-O 3.14Å; S11-C20 VanDerWaalsContact OG-CB 3.28Å; S11-C20 WeakPolarHBondContact OG-CB 3.45Å; S11-C20 PolarHBondContact OG-N 3.34Å; S11-Y21 WeakPolarHBondContact O-CE1 3.43Å; S11-Y44 VanDerWaalsContact OG-CE2 3.31Å; S11-Y44 WeakPolarHBondContact OG-CE2 3.4Å
12G93.7Very high93.4Very high0 Ų018.9 Ų18.90%010%0.1CC..SBendtrans6835.8174.400000114.2T17 P18 Y21 H579G12-T17 WeakPolarHBondContact CA-O 3.37Å; G12-T17 PolarHBondContact N-OG1 3.46Å; G12-P18 PolarHBondContact N-O 2.81Å; G12-Y21 PolarHBondContact O-OH 2.84Å; G12-Y21 VanDerWaalsContact O-OH 3.07Å; G12-H579 WeakPolarHBondContact O-CA 3.1Å; G12-H579 PolarHBondContact O-N 2.8Å
13V94.9Very high94.5Very high3 Ų315.1 Ų15.12%0.0188%0.077CC..SBendtrans-140138.6176.7-69.90000110.7P9 S11 D15 Y21 V578 P606 L608P9-V13 HydrophobicContact CB-CB 4.22Å; P9-V13 HydrophobicContact CB-CG1 3.4Å; P9-V13 HydrophobicContact CB-CG2 3.73Å; P9-V13 HydrophobicContact CG-CB 4.41Å; P9-V13 HydrophobicContact CG-CG1 3.85Å; P9-V13 HydrophobicContact CG-CG2 3.79Å; S11-V13 PolarHBondContact O-N 3.03Å; V13-D15 PolarHBondContact N-OD1 3.41Å; V13-D15 PolarHBondContact O-N 3.02Å; V13-Y21 HydrophobicContact CG1-CE1 4.04Å; V13-V578 HydrophobicContact CG1-CB 4.19Å; V13-V578 HydrophobicContact CG1-CG1 4.05Å; V13-P606 HydrophobicContact CG1-CG 4.18Å; V13-L608 HydrophobicContact CG2-CB 4.1Å; V13-L608 HydrophobicContact CG2-CD1 4.07Å
14M93.4Very high95.1Very high60 Ų6016 Ų1630%0.2968%0.081SC..SBendtrans57.713.8-173.7-55.6-67.4175.100113.5G580 P582 T585 T605 K607M14-G580 CarbonylContact C-O 3.6Å; M14-G580 VanDerWaalsContact CA-O 3.24Å; M14-G580 WeakPolarHBondContact CA-O 3.15Å; M14-G580 PolarHBondContact N-O 3.05Å; M14-P582 HydrophobicContact CB-CG 4.37Å; M14-P582 WeakPolarHBondContact O-CD 3.45Å; M14-P582 HydrophobicContact SD-CB 4.44Å; M14-T585 HydrophobicContact CE-CG2 4.38Å; M14-T585 HydrophobicContact SD-CG2 4.41Å; M14-T605 VanDerWaalsContact CE-O 3.27Å; M14-T605 WeakPolarHBondContact CE-O 3.36Å; M14-K607 HydrophobicContact CE-CG 4.41Å
15D92.2Very high95.4Very high51 Ų5115 Ų1527%0.2738%0.076SC..SBendtrans-158.4177.4179.761.434.4000110.5V13 T17 G580V13-D15 PolarHBondContact N-OD1 3.41Å; V13-D15 PolarHBondContact O-N 3.02Å; D15-T17 HydrophobicContact CB-CG2 4.05Å; D15-T17 WeakPolarHBondContact OD1-CB 3.27Å; D15-T17 WeakPolarHBondContact OD1-CG2 3.45Å; D15-T17 PolarHBondContact OD1-N 3.17Å; D15-T17 PolarHBondContact OD1-OG1 2.95Å; D15-T17 VanDerWaalsContact OD2-CG2 3.3Å; D15-T17 WeakPolarHBondContact OD2-CG2 3.49Å; D15-T17 PolarHBondContact OD2-OG1 3.44Å; D15-G580 PolarHBondContact N-O 3.31Å; D15-G580 CarbonylContact O-C 3.56Å; D15-G580 PolarHBondContact O-N 3.28Å
16E90.5Very high95.2Very high58 Ų5816.7 Ų16.727%0.2719%0.085SC..  trans-105.234.5-179.5-65.6177.7-16700110.9F203E16-F203 HydrophobicContact CB-CD2 4.25Å; E16-F203 HydrophobicContact CB-CE2 3.83Å; E16-F203 HydrophobicContact CG-CD2 3.77Å; E16-F203 HydrophobicContact CG-CE2 3.59Å
17T93.2Very high94.8Very high21 Ų2117.8 Ų17.813%0.1299%0.093CC..PPolyproline II helixtrans-83.3158.9-179.267.20000111.7G12 D15 R360G12-T17 WeakPolarHBondContact CA-O 3.37Å; G12-T17 PolarHBondContact N-OG1 3.46Å; D15-T17 HydrophobicContact CB-CG2 4.05Å; D15-T17 WeakPolarHBondContact OD1-CB 3.27Å; D15-T17 WeakPolarHBondContact OD1-CG2 3.45Å; D15-T17 PolarHBondContact OD1-N 3.17Å; D15-T17 PolarHBondContact OD1-OG1 2.95Å; D15-T17 VanDerWaalsContact OD2-CG2 3.3Å; D15-T17 WeakPolarHBondContact OD2-CG2 3.49Å; D15-T17 PolarHBondContact OD2-OG1 3.44Å; T17-R360 VanDerWaalsContact CB-NH1 3.33Å
18P95.6Very high94.7Very high13 Ų1318.1 Ų18.18%0.08410%0.095CC..PPolyproline II helixtrans-50145.7177.2-28.435.2000112.9S11 G12 G35 W36 D37S11-P18 VanDerWaalsContact CB-O 3.22Å; S11-P18 WeakPolarHBondContact CB-O 3.36Å; S11-P18 PolarHBondContact OG-O 3.12Å; G12-P18 PolarHBondContact N-O 2.81Å; P18-G35 VanDerWaalsContact CB-C 3.48Å; P18-W36 VanDerWaalsContact CG-C 3.42Å; P18-W36 WeakPolarHBondContact CG-O 3.45Å; P18-D37 HydrophobicContact CG-CB 4.27Å
19L97.7Very high94.7Very high0 Ų018.3 Ų18.30%010%0.095CC..PPolyproline II helixtrans-83.4135.8-168.7-64.374.1000110.7Y21 D33 C34 G35 Q66 V174 H579L19-Y21 HydrophobicContact CB-CE2 3.82Å; L19-Y21 HydrophobicContact CD2-CE2 4.09Å; L19-Y21 HydrophobicContact CG-CE2 4.22Å; L19-Y21 WeakPolarHBondContact CG-OH 3.26Å; L19-D33 HydrophobicContact CB-CB 4.23Å; L19-D33 CarbonylContact O-C 3.53Å; L19-C34 PolarHBondContact O-N 3.22Å; L19-G35 PolarHBondContact O-N 3.27Å; L19-Q66 PolarHBondContact N-O 3.43Å; L19-V174 HydrophobicContact CD2-CB 3.7Å; L19-V174 HydrophobicContact CD2-CG1 3.97Å; L19-V174 HydrophobicContact CD2-CG2 3.54Å; L19-H579 WeakPolarHBondContact CD1-CE1 3.33Å; L19-H579 WeakPolarHBondContact CD1-ND1 3.16Å; L19-H579 HydrophobicContact CD2-CB 4.33Å; L19-H579 HydrophobicContact CG-CB 4.37Å
20C98Very high94.8Very high0 Ų018.3 Ų18.30%010%0.095CC..EExtended strand (participates in β ladder)trans-164116.8170.6-168.10000111L10 S11 L31 D33 Y44L10-C20 HydrophobicContact CB-CB 4.47Å; L10-C20 PolarHBondContact N-O 2.89Å; S11-C20 PolarHBondContact N-O 3.14Å; S11-C20 VanDerWaalsContact OG-CB 3.28Å; S11-C20 WeakPolarHBondContact OG-CB 3.45Å; S11-C20 PolarHBondContact OG-N 3.34Å; C20-L31 VanDerWaalsContact SG-CD1 3.59Å; C20-D33 PolarHBondContact SG-O 3.3Å; C20-Y44 HydrophobicContact CB-CE2 3.89Å; C20-Y44 WeakPolarHBondContact CB-OH 3.42Å
21Y98.2Very high94.9Very high0 Ų018.3 Ų18.30%010%0.095CC..EExtended strand (participates in β ladder)trans-134.2139-177.2-38.8-73.9000111P9 S11 G12 V13 L19 L32 Y172 V578P9-Y21 HydrophobicContact CB-CD1 3.71Å; P9-Y21 HydrophobicContact CB-CE1 4.15Å; S11-Y21 WeakPolarHBondContact O-CE1 3.43Å; G12-Y21 PolarHBondContact O-OH 2.84Å; G12-Y21 VanDerWaalsContact O-OH 3.07Å; V13-Y21 HydrophobicContact CG1-CE1 4.04Å; L19-Y21 HydrophobicContact CB-CE2 3.82Å; L19-Y21 HydrophobicContact CD2-CE2 4.09Å; L19-Y21 HydrophobicContact CG-CE2 4.22Å; L19-Y21 WeakPolarHBondContact CG-OH 3.26Å; Y21-L32 HydrophobicContact CD2-CB 4.18Å; Y21-L32 PolarHBondContact N-O 2.68Å; Y21-L32 VanDerWaalsContact N-O 3.09Å; Y21-L32 PolarHBondContact O-N 2.91Å; Y21-Y172 AromaticContact CD2-CE2 3.81Å; Y21-Y172 HydrophobicContact CD2-CE2 3.81Å; Y21-Y172 AromaticContact CD2-CZ 4Å; Y21-Y172 AromaticContact CE2-CE2 3.83Å; Y21-Y172 HydrophobicContact CE2-CE2 3.83Å; Y21-Y172 WeakPolarHBondContact CE2-OH 3.31Å; Y21-V578 HydrophobicContact CD1-CG1 4.39Å; Y21-V578 HydrophobicContact CE1-CB 3.91Å; Y21-V578 HydrophobicContact CE1-CG1 3.92Å; Y21-V578 HydrophobicContact CE1-CG2 4.4Å; Y21-V578 HydrophobicContact CE2-CG2 4.15Å
22V98.2Very high95.1Very high3 Ų317.9 Ų17.92%0.0189%0.093CC..EExtended strand (participates in β ladder)trans-95.4112.6170.3-179.10000108.1L7 E8 L10 H29 F30 L31 W51 I55L7-V22 CarbonylContact C-O 3.46Å; L7-V22 WeakPolarHBondContact CA-O 3.43Å; E8-V22 HydrophobicContact CB-CB 4.49Å; E8-V22 PolarHBondContact N-O 3.29Å; E8-V22 PolarHBondContact O-N 2.68Å; L10-V22 HydrophobicContact CD1-CG2 3.67Å; L10-V22 HydrophobicContact CG-CG2 4.14Å; V22-H29 HydrophobicContact CG1-CB 4.45Å; V22-F30 CarbonylContact C-O 3.59Å; V22-F30 WeakPolarHBondContact CA-O 3.39Å; V22-L31 HydrophobicContact CG2-CD1 4Å; V22-W51 HydrophobicContact CG1-CD2 4.2Å; V22-W51 HydrophobicContact CG1-CE3 3.94Å; V22-W51 HydrophobicContact CG1-CH2 3.95Å; V22-W51 HydrophobicContact CG1-CZ2 4.2Å; V22-W51 HydrophobicContact CG1-CZ3 3.85Å; V22-W51 HydrophobicContact CG2-CD2 4Å; V22-W51 HydrophobicContact CG2-CE3 4.46Å; V22-W51 HydrophobicContact CG2-CG 4.03Å; V22-I55 HydrophobicContact CG1-CD1 4.12Å; V22-I55 HydrophobicContact CG2-CD1 4.11Å
23L97.9Very high95.3Very high0 Ų017.9 Ų17.90%09%0.093CC..EExtended strand (participates in β ladder)trans-102.4112.9174173.971000109.1V5 K6 L7 V25 F30 L32 I162 I170 I199V5-L23 HydrophobicContact CG1-CD1 3.89Å; K6-L23 CarbonylContact O-C 3.51Å; K6-L23 WeakPolarHBondContact O-CA 3.46Å; L7-L23 HydrophobicContact CD1-CB 3.84Å; L7-L23 HydrophobicContact CD1-CD1 4.05Å; L23-V25 HydrophobicContact CD2-CG2 4.18Å; L23-V25 HydrophobicContact CG-CG2 4.07Å; L23-F30 HydrophobicContact CB-CB 4.23Å; L23-F30 HydrophobicContact CD2-CD2 4.31Å; L23-F30 PolarHBondContact N-O 2.78Å; L23-F30 PolarHBondContact O-N 3.02Å; L23-L32 HydrophobicContact CB-CD1 3.75Å; L23-L32 HydrophobicContact CB-CG 4.02Å; L23-L32 HydrophobicContact CD2-CD1 4.08Å; L23-L32 HydrophobicContact CG-CD1 4.49Å; L23-I162 HydrophobicContact CD2-CD1 3.49Å; L23-I162 VanDerWaalsContact CD2-CD1 3.49Å; L23-I170 HydrophobicContact CD2-CG2 4.27Å; L23-I199 HydrophobicContact CD1-CD1 4.37Å
24Q95.5Very high95.4Very high20 Ų2017.8 Ų17.89%0.0939%0.092CC..EExtended strand (participates in β ladder)trans-89.5125.7171-178.1-178.11.600109.6V5 K6 D26 F28V5-Q24 WeakPolarHBondContact CA-O 3.11Å; K6-Q24 HydrophobicContact CB-CB 4.2Å; K6-Q24 PolarHBondContact N-O 3.27Å; K6-Q24 PolarHBondContact O-N 2.87Å; Q24-D26 WeakPolarHBondContact CG-O 3.46Å; Q24-D26 PolarHBondContact NE2-O 2.83Å; Q24-F28 WeakPolarHBondContact CA-O 3.23Å
25V93.3Very high95.6Very high0 Ų014.9 Ų14.90%08%0.078CC..EExtended strand (participates in β ladder)trans-122.7108.5168.2-174.50000107.7M1 I4 L23 D27 F28 F30 L144 I170M1-V25 HydrophobicContact CE-CG1 4.08Å; I4-V25 CarbonylContact O-C 3.55Å; I4-V25 WeakPolarHBondContact O-CA 3.32Å; L23-V25 HydrophobicContact CD2-CG2 4.18Å; L23-V25 HydrophobicContact CG-CG2 4.07Å; V25-D27 PolarHBondContact O-N 2.92Å; V25-F28 PolarHBondContact N-O 3.21Å; V25-F28 WeakPolarHBondContact O-CB 3.44Å; V25-F28 PolarHBondContact O-N 3.35Å; V25-F30 HydrophobicContact CB-CE2 4.36Å; V25-F30 HydrophobicContact CG2-CD2 4.21Å; V25-F30 HydrophobicContact CG2-CE2 4Å; V25-L144 HydrophobicContact CB-CD1 4.18Å; V25-L144 HydrophobicContact CG1-CD1 4.2Å; V25-L144 HydrophobicContact CG1-CD2 3.74Å; V25-I170 HydrophobicContact CG2-CD1 3.75Å
26D88.7Confident95.8Very high41 Ų4112.7 Ų12.722%0.2197%0.066CC..THydrogen-bonded Turntrans53.6-115.8-167.6-60.1-36.8000110.7S3 I4 Q24 K164S3-D26 WeakPolarHBondContact CA-OD1 3.47Å; S3-D26 WeakPolarHBondContact CB-OD1 3.41Å; S3-D26 WeakPolarHBondContact CB-OD2 3.43Å; S3-D26 VanDerWaalsContact OG-CG 3.3Å; S3-D26 PolarHBondContact OG-OD1 3.22Å; S3-D26 PolarHBondContact OG-OD2 2.89Å; I4-D26 PolarHBondContact N-OD1 2.93Å; I4-D26 PolarHBondContact O-N 3.22Å; Q24-D26 WeakPolarHBondContact CG-O 3.46Å; Q24-D26 PolarHBondContact NE2-O 2.83Å; D26-K164 IonicContact OD2-NZ 2.67Å; D26-K164 PolarHBondContact OD2-NZ 3.03Å
27D88.1Confident95.9Very high80 Ų8010.5 Ų10.543%0.4286%0.056SC..THydrogen-bonded Turntrans-94.90.4177.8-79.9-43000114.4V25 H29 Q622V25-D27 PolarHBondContact O-N 2.92Å; D27-H29 PolarHBondContact O-ND1 3.03Å; D27-Q622 PolarHBondContact OD1-NE2 3.14Å; D27-Q622 PolarHBondContact OD2-NE2 2.81Å
28F94.6Very high95.9Very high7 Ų710.1 Ų10.13%0.0315%0.054CC..EExtended strand (participates in β ladder)trans-99.4127.9-173.7-163.6-90.7000111.4Q24 V25 F30 D56 A57 L137 R140 L144Q24-F28 WeakPolarHBondContact CA-O 3.23Å; V25-F28 PolarHBondContact N-O 3.21Å; V25-F28 WeakPolarHBondContact O-CB 3.44Å; V25-F28 PolarHBondContact O-N 3.35Å; F28-F30 HydrophobicContact CD1-CD1 4.17Å; F28-F30 AromaticContact CD1-CD2 3.75Å; F28-F30 HydrophobicContact CD1-CD2 3.75Å; F28-F30 AromaticContact CD1-CE1 3.92Å; F28-F30 HydrophobicContact CD1-CE1 3.92Å; F28-F30 AromaticContact CD1-CE2 3.47Å; F28-F30 HydrophobicContact CD1-CE2 3.47Å; F28-F30 VanDerWaalsContact CD1-CE2 3.47Å; F28-F30 HydrophobicContact CD1-CG 4.1Å; F28-F30 AromaticContact CD1-CZ 3.57Å; F28-F30 HydrophobicContact CD1-CZ 3.57Å; F28-F30 AromaticContact CE1-CD1 3.7Å; F28-F30 HydrophobicContact CE1-CD1 3.7Å; F28-F30 HydrophobicContact CE1-CD2 4.15Å; 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 3.9Å; F28-F30 HydrophobicContact CE1-CE2 3.9Å; F28-F30 HydrophobicContact CE1-CG 4.06Å; F28-F30 AromaticContact CE1-CZ 3.55Å; F28-F30 HydrophobicContact CE1-CZ 3.55Å; F28-F30 HydrophobicContact CZ-CE1 4.46Å; F28-D56 WeakPolarHBondContact CA-OD2 3.29Å; F28-D56 HydrophobicContact CD1-CB 4.11Å; F28-D56 HydrophobicContact CD2-CB 3.55Å; F28-D56 HydrophobicContact CE1-CB 3.75Å; F28-D56 HydrophobicContact CE2-CB 3.21Å; F28-D56 HydrophobicContact CG-CB 4.04Å; F28-D56 HydrophobicContact CZ-CB 3.31Å; F28-A57 HydrophobicContact CE1-CB 3.86Å; F28-A57 HydrophobicContact CZ-CB 3.78Å; F28-L137 HydrophobicContact CD1-CD1 4.34Å; F28-L137 HydrophobicContact CE1-CD1 3.72Å; F28-L137 HydrophobicContact CE2-CD1 4.49Å; F28-L137 HydrophobicContact CZ-CD1 3.78Å; F28-R140 HydrophobicContact CD2-CB 4.07Å; F28-L144 HydrophobicContact CB-CD1 3.75Å; F28-L144 HydrophobicContact CD1-CD1 4.15Å; F28-L144 HydrophobicContact CG-CD1 3.98Å
29H97.2Very high95.7Very high17 Ų1714 Ų148%0.0797%0.073CC..EExtended strand (participates in β ladder)trans-108.5111.1-178.9-63.677.7000110.8V22 D27 W51 I55 D56 A57V22-H29 HydrophobicContact CG1-CB 4.45Å; D27-H29 PolarHBondContact O-ND1 3.03Å; H29-W51 AromaticContact CD2-CH2 3.95Å; H29-W51 AromaticContact CD2-CZ3 3.42Å; H29-W51 VanDerWaalsContact CD2-CZ3 3.42Å; H29-W51 WeakPolarHBondContact CD2-CZ3 3.33Å; H29-W51 AromaticContact NE2-CZ3 3.8Å; H29-I55 HydrophobicContact CB-CD1 4.27Å; H29-D56 PolarHBondContact N-OD2 3.04Å; H29-D56 PolarHBondContact O-N 3.03Å; H29-A57 PolarHBondContact O-N 3.36Å
30F98.4Very high95.5Very high0 Ų014.9 Ų14.90%08%0.077CC..EExtended strand (participates in β ladder)trans-86135.9167.5-63.3-85.4000110.2V22 L23 V25 F28 L32 A57 L59 L137 L144 I146 I162V22-F30 CarbonylContact C-O 3.59Å; V22-F30 WeakPolarHBondContact CA-O 3.39Å; L23-F30 HydrophobicContact CB-CB 4.23Å; L23-F30 HydrophobicContact CD2-CD2 4.31Å; L23-F30 PolarHBondContact N-O 2.78Å; L23-F30 PolarHBondContact O-N 3.02Å; V25-F30 HydrophobicContact CB-CE2 4.36Å; V25-F30 HydrophobicContact CG2-CD2 4.21Å; V25-F30 HydrophobicContact CG2-CE2 4Å; F28-F30 HydrophobicContact CD1-CD1 4.17Å; F28-F30 AromaticContact CD1-CD2 3.75Å; F28-F30 HydrophobicContact CD1-CD2 3.75Å; F28-F30 AromaticContact CD1-CE1 3.92Å; F28-F30 HydrophobicContact CD1-CE1 3.92Å; F28-F30 AromaticContact CD1-CE2 3.47Å; F28-F30 HydrophobicContact CD1-CE2 3.47Å; F28-F30 VanDerWaalsContact CD1-CE2 3.47Å; F28-F30 HydrophobicContact CD1-CG 4.1Å; F28-F30 AromaticContact CD1-CZ 3.57Å; F28-F30 HydrophobicContact CD1-CZ 3.57Å; F28-F30 AromaticContact CE1-CD1 3.7Å; F28-F30 HydrophobicContact CE1-CD1 3.7Å; F28-F30 HydrophobicContact CE1-CD2 4.15Å; 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 3.9Å; F28-F30 HydrophobicContact CE1-CE2 3.9Å; F28-F30 HydrophobicContact CE1-CG 4.06Å; F28-F30 AromaticContact CE1-CZ 3.55Å; F28-F30 HydrophobicContact CE1-CZ 3.55Å; F28-F30 HydrophobicContact CZ-CE1 4.46Å; F30-L32 HydrophobicContact CB-CD2 4.07Å; F30-A57 CarbonylContact C-O 3.59Å; F30-A57 WeakPolarHBondContact CA-O 3.34Å; F30-A57 HydrophobicContact CD1-CB 4.27Å; F30-L59 HydrophobicContact CD1-CD1 3.81Å; F30-L59 HydrophobicContact CD1-CD2 4.24Å; F30-L59 HydrophobicContact CD1-CG 3.86Å; F30-L59 HydrophobicContact CE1-CD1 4.14Å; F30-L59 HydrophobicContact CE1-CD2 4.42Å; F30-L59 HydrophobicContact CE1-CG 4.41Å; F30-L59 HydrophobicContact CG-CD1 4.48Å; F30-L137 HydrophobicContact CE1-CD1 3.43Å; F30-L137 VanDerWaalsContact CE1-CD1 3.43Å; F30-L137 HydrophobicContact CZ-CD1 3.3Å; F30-L144 HydrophobicContact CE2-CD1 4.11Å; F30-L144 HydrophobicContact CZ-CD1 4.24Å; F30-I146 HydrophobicContact CE1-CG2 3.86Å; F30-I146 HydrophobicContact CZ-CG2 4.14Å; F30-I162 HydrophobicContact CD2-CD1 4.42Å; F30-I162 HydrophobicContact CE2-CD1 4.42Å; F30-I162 HydrophobicContact CE2-CG2 3.96Å; F30-I162 HydrophobicContact CZ-CG2 3.97Å
31L98.5Very high95.2Very high2 Ų217.9 Ų17.91%0.019%0.093CC..EExtended strand (participates in β ladder)trans-94.3109.6159.5-168.368.4000108.1C20 V22 C34 L48 I55 A57 V58 L59C20-L31 VanDerWaalsContact SG-CD1 3.59Å; V22-L31 HydrophobicContact CG2-CD1 4Å; L31-C34 HydrophobicContact CD2-CB 3.94Å; L31-L48 HydrophobicContact CD1-CD2 4.15Å; L31-I55 HydrophobicContact CB-CD1 4.27Å; L31-I55 HydrophobicContact CB-CG1 4.39Å; L31-I55 HydrophobicContact CB-CG2 3.75Å; L31-I55 HydrophobicContact CD1-CD1 4.35Å; L31-A57 PolarHBondContact N-O 2.95Å; L31-V58 HydrophobicContact CB-CB 4.44Å; L31-V58 HydrophobicContact CB-CG1 4.33Å; L31-V58 HydrophobicContact CB-CG2 4.09Å; L31-V58 HydrophobicContact CD2-CG1 4.42Å; L31-V58 HydrophobicContact CD2-CG2 4.11Å; L31-V58 CarbonylContact O-C 3.45Å; L31-V58 VanDerWaalsContact O-CA 3.3Å; L31-V58 WeakPolarHBondContact O-CA 3.34Å; L31-L59 PolarHBondContact O-N 3.3Å
32L98.7Very high94.9Very high0 Ų021.1 Ų21.10%011%0.109CC..EExtended strand (participates in β ladder)trans-88.9104.6177.9-56.7-179000108.7L7 Y21 L23 F30 L59 I162 Y172 I199L7-L32 HydrophobicContact CD1-CD1 4.21Å; Y21-L32 HydrophobicContact CD2-CB 4.18Å; Y21-L32 PolarHBondContact N-O 2.68Å; Y21-L32 VanDerWaalsContact N-O 3.09Å; Y21-L32 PolarHBondContact O-N 2.91Å; L23-L32 HydrophobicContact CB-CD1 3.75Å; L23-L32 HydrophobicContact CB-CG 4.02Å; L23-L32 HydrophobicContact CD2-CD1 4.08Å; L23-L32 HydrophobicContact CG-CD1 4.49Å; F30-L32 HydrophobicContact CB-CD2 4.07Å; L32-L59 HydrophobicContact CD2-CB 4.13Å; L32-L59 HydrophobicContact CD2-CD1 3.82Å; L32-L59 HydrophobicContact CD2-CG 4.23Å; L32-I162 HydrophobicContact CD2-CD1 4.38Å; L32-Y172 HydrophobicContact CB-CD1 4.19Å; L32-Y172 HydrophobicContact CB-CE1 3.83Å; L32-Y172 HydrophobicContact CB-CE2 4.32Å; L32-Y172 HydrophobicContact CD1-CD1 4.23Å; L32-Y172 HydrophobicContact CD1-CD2 3.86Å; L32-Y172 HydrophobicContact CD1-CE2 4.21Å; L32-Y172 HydrophobicContact CD1-CG 3.87Å; L32-Y172 HydrophobicContact CD2-CD1 4.15Å; L32-Y172 HydrophobicContact CD2-CG 4.46Å; L32-Y172 HydrophobicContact CG-CD1 4.43Å; L32-I199 HydrophobicContact CD1-CD1 4.11Å
33D98.6Very high94.6Very high0 Ų027.7 Ų27.70%014%0.14CC..  trans53.8163.6-169.7-60.8-59.2000114.1L19 C20 L59 T61 H67 Y172L19-D33 HydrophobicContact CB-CB 4.23Å; L19-D33 CarbonylContact O-C 3.53Å; C20-D33 PolarHBondContact SG-O 3.3Å; D33-L59 PolarHBondContact N-O 3.35Å; D33-T61 VanDerWaalsContact CG-OG1 3.29Å; D33-T61 WeakPolarHBondContact OD1-CB 3.45Å; D33-T61 PolarHBondContact OD1-N 3.24Å; D33-T61 PolarHBondContact OD1-OG1 3.03Å; D33-T61 WeakPolarHBondContact OD2-CB 3.44Å; D33-T61 PolarHBondContact OD2-OG1 2.85Å; D33-H67 HydrophobicContact CB-CB 4.33Å; D33-H67 IonicContact OD1-CD2 3.28Å; D33-H67 IonicContact OD2-CD2 2.87Å; D33-H67 PolarHBondContact OD2-CD2 2.89Å; D33-Y172 WeakPolarHBondContact OD2-CE1 3.35Å; D33-Y172 VanDerWaalsContact OD2-CZ 3.31Å; D33-Y172 PolarHBondContact OD2-OH 3.35Å
34C97.9Very high94.3Very high0 Ų028.3 Ų28.30%014%0.142CC..  trans-155.566176.6-177.80000109.1L19 L31 H67 I68 G69 A70 L71 L74L19-C34 PolarHBondContact O-N 3.22Å; L31-C34 HydrophobicContact CD2-CB 3.94Å; C34-H67 CarbonylContact C-O 3.58Å; C34-H67 VanDerWaalsContact C-O 3.29Å; C34-H67 PolarHBondContact N-O 3.05Å; C34-I68 CarbonylContact O-C 3.59Å; C34-I68 VanDerWaalsContact O-C 3.24Å; C34-G69 PolarHBondContact O-N 3.42Å; C34-A70 PolarHBondContact O-N 3.45Å; C34-A70 VanDerWaalsContact SG-CB 3.57Å; C34-L71 HydrophobicContact CB-CD2 3.53Å; C34-L71 HydrophobicContact CB-CG 3.77Å; C34-L74 WeakPolarHBondContact SG-CD1 3.45Å
35G97.2Very high94.2Very high0 Ų027.3 Ų27.30%014%0.138CC..  trans-69169.317800000113.9P18 L19 Y44 Q65 Q66 H67P18-G35 VanDerWaalsContact CB-C 3.48Å; L19-G35 PolarHBondContact O-N 3.27Å; G35-Y44 WeakPolarHBondContact O-CE1 3.36Å; G35-Y44 VanDerWaalsContact O-CZ 3.28Å; G35-Y44 PolarHBondContact O-OH 2.8Å; G35-Q65 CarbonylContact C-O 3.53Å; G35-Q65 WeakPolarHBondContact CA-O 3.37Å; G35-Q66 VanDerWaalsContact CA-C 3.43Å; G35-Q66 WeakPolarHBondContact CA-O 3.32Å; G35-H67 PolarHBondContact N-O 3.06Å
36W96.7Very high94.1Very high5 Ų531 Ų312%0.01916%0.158CC..  trans-148.7153.5173.3-155.710.8000112.9P18 F40 M42 Y44 I45 Q65 A70 Y73 W101 I113 F114P18-W36 VanDerWaalsContact CG-C 3.42Å; P18-W36 WeakPolarHBondContact CG-O 3.45Å; W36-F40 AromaticContact CD2-CD1 3.79Å; W36-F40 HydrophobicContact CD2-CD1 3.79Å; W36-F40 VanDerWaalsContact CE2-CA 3.48Å; W36-F40 AromaticContact CE2-CD1 3.85Å; W36-F40 AromaticContact CE3-CD1 3.64Å; W36-F40 HydrophobicContact CE3-CD1 3.64Å; W36-F40 HydrophobicContact CE3-CE1 4.12Å; W36-F40 HydrophobicContact CH2-CB 4.04Å; W36-F40 AromaticContact CH2-CD1 3.69Å; W36-F40 HydrophobicContact CH2-CD1 3.69Å; W36-F40 HydrophobicContact CH2-CG 4.31Å; W36-F40 VanDerWaalsContact CZ2-CA 3.49Å; W36-F40 HydrophobicContact CZ2-CB 3.51Å; W36-F40 AromaticContact CZ2-CD1 3.74Å; W36-F40 HydrophobicContact CZ2-CD1 3.74Å; W36-F40 HydrophobicContact CZ2-CG 4.12Å; W36-F40 AromaticContact CZ3-CD1 3.63Å; W36-F40 HydrophobicContact CZ3-CD1 3.63Å; W36-F40 HydrophobicContact CZ3-CE1 4.22Å; W36-M42 HydrophobicContact CH2-CE 3.48Å; W36-M42 VanDerWaalsContact CH2-CE 3.48Å; W36-M42 HydrophobicContact CZ2-CE 3.14Å; W36-Y44 AromaticContact CD1-CD1 3.75Å; W36-Y44 HydrophobicContact CG-CE1 4.45Å; W36-I45 HydrophobicContact CH2-CG1 4.46Å; W36-I45 HydrophobicContact CZ2-CD1 4.31Å; W36-I45 HydrophobicContact CZ2-CG1 3.98Å; W36-Q65 PolarHBondContact N-O 2.72Å; W36-A70 HydrophobicContact CB-CB 3.83Å; W36-A70 HydrophobicContact CD2-CB 4.15Å; W36-A70 HydrophobicContact CE3-CB 4.22Å; W36-A70 HydrophobicContact CG-CB 4.02Å; W36-Y73 HydrophobicContact CH2-CD2 4.06Å; W36-Y73 HydrophobicContact CH2-CG 4.3Å; W36-Y73 HydrophobicContact CZ3-CD2 4.27Å; W36-Y73 HydrophobicContact CZ3-CG 4.3Å; W36-W101 HydrophobicContact CB-CH2 4.25Å; W36-I113 HydrophobicContact CH2-CG2 3.23Å; W36-I113 HydrophobicContact CZ2-CG2 4.32Å; W36-I113 HydrophobicContact CZ3-CG2 3.57Å; W36-F114 HydrophobicContact CZ3-CD1 4.29Å
37D92.9Very high94.2Very high12 Ų1233.6 Ų33.66%0.06416%0.164CC..  trans-88.1153.1-178.763.63.7000111.1P18 L39 F40 N41 R360P18-D37 HydrophobicContact CG-CB 4.27Å; D37-L39 PolarHBondContact O-N 3.46Å; D37-F40 PolarHBondContact O-N 2.7Å; D37-F40 PolarHBondContact OD1-N 3.1Å; D37-N41 PolarHBondContact OD1-N 2.94Å; D37-R360 IonicContact OD2-CZ 3.5Å; D37-R360 IonicContact OD2-NE 2.87Å; D37-R360 IonicContact OD2-NH2 3.68Å; D37-R360 PolarHBondContact OD2-NH2 2.86Å
38S91.6Very high94.4Very high12 Ų1230 Ų308%0.08415%0.145CC..THydrogen-bonded Turntrans-60.4-12.9176.8-61.90000113.6Y105 D332S38-Y105 PolarHBondContact O-OH 3.33Å; S38-D332 PolarHBondContact OG-OD2 3.34Å
39L91.1Very high94.3Very high95 Ų9534.8 Ų34.850%0.49716%0.163SC..THydrogen-bonded Turntrans-94.9-2177.9-58.7178.6000113.3D37 N41 E334D37-L39 PolarHBondContact O-N 3.46Å; L39-N41 PolarHBondContact O-N 3.49Å; L39-E334 HydrophobicContact CD2-CG 4.43Å
40F93.4Very high94Very high18 Ų1837 Ų378%0.07918%0.177CC..  trans53.549.7176.3-55.6-72.7000114.4W36 D37 M42 W101 Y105 F111 I113 F114W36-F40 AromaticContact CD2-CD1 3.79Å; W36-F40 HydrophobicContact CD2-CD1 3.79Å; W36-F40 VanDerWaalsContact CE2-CA 3.48Å; W36-F40 AromaticContact CE2-CD1 3.85Å; W36-F40 AromaticContact CE3-CD1 3.64Å; W36-F40 HydrophobicContact CE3-CD1 3.64Å; W36-F40 HydrophobicContact CE3-CE1 4.12Å; W36-F40 HydrophobicContact CH2-CB 4.04Å; W36-F40 AromaticContact CH2-CD1 3.69Å; W36-F40 HydrophobicContact CH2-CD1 3.69Å; W36-F40 HydrophobicContact CH2-CG 4.31Å; W36-F40 VanDerWaalsContact CZ2-CA 3.49Å; W36-F40 HydrophobicContact CZ2-CB 3.51Å; W36-F40 AromaticContact CZ2-CD1 3.74Å; W36-F40 HydrophobicContact CZ2-CD1 3.74Å; W36-F40 HydrophobicContact CZ2-CG 4.12Å; W36-F40 AromaticContact CZ3-CD1 3.63Å; W36-F40 HydrophobicContact CZ3-CD1 3.63Å; W36-F40 HydrophobicContact CZ3-CE1 4.22Å; D37-F40 PolarHBondContact O-N 2.7Å; D37-F40 PolarHBondContact OD1-N 3.1Å; F40-M42 PolarHBondContact O-N 3.48Å; F40-W101 HydrophobicContact CD1-CH2 4.32Å; F40-W101 HydrophobicContact CD1-CZ2 4.49Å; F40-W101 AromaticContact CE1-CH2 3.49Å; F40-W101 HydrophobicContact CE1-CH2 3.49Å; F40-W101 VanDerWaalsContact CE1-CH2 3.49Å; F40-W101 AromaticContact CE1-CZ2 3.52Å; F40-W101 HydrophobicContact CE1-CZ2 3.52Å; F40-W101 HydrophobicContact CE1-CZ3 4.17Å; F40-W101 HydrophobicContact CZ-CH2 4.13Å; F40-W101 AromaticContact CZ-CZ2 3.68Å; F40-W101 HydrophobicContact CZ-CZ2 3.68Å; F40-Y105 HydrophobicContact CE2-CD1 4.45Å; F40-Y105 HydrophobicContact CE2-CD2 4.05Å; F40-Y105 AromaticContact CE2-CE1 3.98Å; F40-Y105 HydrophobicContact CE2-CE1 3.98Å; F40-Y105 AromaticContact CE2-CE2 3.47Å; F40-Y105 HydrophobicContact CE2-CE2 3.47Å; F40-Y105 VanDerWaalsContact CE2-CE2 3.47Å; F40-Y105 AromaticContact CE2-CZ 3.47Å; F40-Y105 VanDerWaalsContact CE2-CZ 3.47Å; F40-Y105 AromaticContact CZ-CD2 3.84Å; F40-Y105 HydrophobicContact CZ-CD2 3.84Å; F40-Y105 AromaticContact CZ-CE2 3.42Å; F40-Y105 HydrophobicContact CZ-CE2 3.42Å; F40-Y105 VanDerWaalsContact CZ-CE2 3.42Å; F40-Y105 AromaticContact CZ-CZ 3.94Å; F40-F111 HydrophobicContact CD2-CE2 4.26Å; F40-F111 HydrophobicContact CE1-CE2 4.24Å; F40-F111 HydrophobicContact CE1-CZ 4Å; F40-F111 AromaticContact CE2-CE2 3.54Å; F40-F111 HydrophobicContact CE2-CE2 3.54Å; F40-F111 HydrophobicContact CE2-CZ 4.13Å; F40-F111 AromaticContact CZ-CE2 3.52Å; F40-F111 HydrophobicContact CZ-CE2 3.52Å; F40-F111 AromaticContact CZ-CZ 3.62Å; F40-F111 HydrophobicContact CZ-CZ 3.62Å; F40-I113 HydrophobicContact CB-CD1 3.69Å; F40-I113 HydrophobicContact CD1-CD1 4.15Å; F40-I113 HydrophobicContact CD1-CG2 4.22Å; F40-I113 HydrophobicContact CD2-CD1 3.49Å; F40-I113 VanDerWaalsContact CD2-CD1 3.49Å; F40-I113 HydrophobicContact CE2-CD1 4.1Å; F40-I113 HydrophobicContact CG-CD1 3.51Å; F40-F114 AromaticContact CE1-CE1 3.99Å; F40-F114 HydrophobicContact CE1-CE1 3.99Å
41N91.9Very high93.8Very high63 Ų6337.6 Ų37.634%0.33718%0.18SC..  trans-60.9111.2-177.3-175.5-3.8000112.1D37 L39 Q43 Y44D37-N41 PolarHBondContact OD1-N 2.94Å; L39-N41 PolarHBondContact O-N 3.49Å; N41-Q43 VanDerWaalsContact C-N 3.34Å; N41-Q43 PolarHBondContact O-N 3.03Å; N41-Q43 WeakPolarHBondContact OD1-CB 3.5Å; N41-Q43 PolarHBondContact OD1-N 3.49Å; N41-Y44 WeakPolarHBondContact O-CB 3.32Å; N41-Y44 PolarHBondContact O-N 3.16Å
42M92.7Very high93.6Very high69 Ų6938.1 Ų38.134%0.3418%0.183SC..Hα-helixtrans-69.3-25.6179.4-71.5-7198.100114.2W36 F40 Y44 I45 D46 Y73W36-M42 HydrophobicContact CH2-CE 3.48Å; W36-M42 VanDerWaalsContact CH2-CE 3.48Å; W36-M42 HydrophobicContact CZ2-CE 3.14Å; F40-M42 PolarHBondContact O-N 3.48Å; M42-Y44 PolarHBondContact O-N 3.33Å; M42-I45 HydrophobicContact CE-CB 4.36Å; M42-I45 HydrophobicContact CE-CG1 3.74Å; M42-I45 WeakPolarHBondContact O-CA 3.27Å; M42-I45 WeakPolarHBondContact O-CB 3.27Å; M42-I45 PolarHBondContact O-N 3.03Å; M42-D46 PolarHBondContact O-N 3.41Å; M42-Y73 HydrophobicContact CE-CE2 4.49Å
43Q90.8Very high93.3Very high140 Ų14043 Ų4365%0.65421%0.214SC*.Hα-helixtrans-62.5-30.6178.1-61.2179.71.400111.7N41 R47N41-Q43 VanDerWaalsContact C-N 3.34Å; N41-Q43 PolarHBondContact O-N 3.03Å; N41-Q43 WeakPolarHBondContact OD1-CB 3.5Å; N41-Q43 PolarHBondContact OD1-N 3.49Å; Q43-R47 PolarHBondContact O-N 3.46Å
44Y91.7Very high93.1Very high13 Ų1347.5 Ų47.55%0.05124%0.235CC..Hα-helixtrans-67.8-44.5173162.9-115.4000111.4L10 S11 C20 G35 W36 N41 M42 D46 R47 L48 A70L10-Y44 HydrophobicContact CB-CE2 4.49Å; S11-Y44 VanDerWaalsContact OG-CE2 3.31Å; S11-Y44 WeakPolarHBondContact OG-CE2 3.4Å; C20-Y44 HydrophobicContact CB-CE2 3.89Å; C20-Y44 WeakPolarHBondContact CB-OH 3.42Å; G35-Y44 WeakPolarHBondContact O-CE1 3.36Å; G35-Y44 VanDerWaalsContact O-CZ 3.28Å; G35-Y44 PolarHBondContact O-OH 2.8Å; W36-Y44 AromaticContact CD1-CD1 3.75Å; W36-Y44 HydrophobicContact CG-CE1 4.45Å; N41-Y44 WeakPolarHBondContact O-CB 3.32Å; N41-Y44 PolarHBondContact O-N 3.16Å; M42-Y44 PolarHBondContact O-N 3.33Å; Y44-D46 VanDerWaalsContact C-N 3.34Å; Y44-D46 PolarHBondContact O-N 3.36Å; Y44-R47 PolarHBondContact O-N 2.92Å; Y44-L48 HydrophobicContact CD1-CD1 4.14Å; Y44-L48 HydrophobicContact CD2-CD1 4.11Å; Y44-L48 HydrophobicContact CE1-CD1 3.61Å; Y44-L48 HydrophobicContact CE2-CD1 3.55Å; Y44-L48 HydrophobicContact CE2-CG 4.19Å; Y44-L48 HydrophobicContact CG-CD1 4.39Å; Y44-L48 PolarHBondContact O-N 2.74Å; Y44-A70 HydrophobicContact CE1-CB 3.88Å
45I93.7Very high93.1Very high0 Ų048 Ų480%024%0.238CC..Hα-helixtrans-63-38.9176.1-61.2-59.2000111.9W36 M42 R47 L48 R49 A70 Y73 L74W36-I45 HydrophobicContact CH2-CG1 4.46Å; W36-I45 HydrophobicContact CZ2-CD1 4.31Å; W36-I45 HydrophobicContact CZ2-CG1 3.98Å; M42-I45 HydrophobicContact CE-CB 4.36Å; M42-I45 HydrophobicContact CE-CG1 3.74Å; M42-I45 WeakPolarHBondContact O-CA 3.27Å; M42-I45 WeakPolarHBondContact O-CB 3.27Å; M42-I45 PolarHBondContact O-N 3.03Å; I45-R47 VanDerWaalsContact C-N 3.27Å; I45-R47 PolarHBondContact O-N 2.89Å; I45-L48 HydrophobicContact CD1-CD1 4.3Å; I45-L48 WeakPolarHBondContact O-CB 3.1Å; I45-L48 PolarHBondContact O-N 2.77Å; I45-L48 VanDerWaalsContact O-N 3.12Å; I45-R49 HydrophobicContact CG2-CG 4.26Å; I45-R49 WeakPolarHBondContact O-CG 3.24Å; I45-R49 PolarHBondContact O-N 2.95Å; I45-A70 HydrophobicContact CD1-CB 3.94Å; I45-Y73 HydrophobicContact CD1-CD1 4.35Å; I45-Y73 HydrophobicContact CG2-CD1 3.92Å; I45-Y73 HydrophobicContact CG2-CE1 3.54Å; I45-L74 HydrophobicContact CD1-CD2 4.42Å
46D91.7Very high93.1Very high78 Ų7849.3 Ų49.342%0.41725%0.245SC..Hα-helixtrans-62.8-34.1179.1-69.4-32.2000112.5M42 Y44 R49M42-D46 PolarHBondContact O-N 3.41Å; Y44-D46 VanDerWaalsContact C-N 3.34Å; Y44-D46 PolarHBondContact O-N 3.36Å; D46-R49 IonicContact OD1-CZ 3.29Å; D46-R49 IonicContact OD1-NH1 2.82Å; D46-R49 PolarHBondContact OD1-NH1 3.42Å
47R91Very high93.2Very high95 Ų9549.1 Ų49.136%0.35824%0.244SC..Hα-helixtrans-68.9-42172-67.8-174.3-66.6-153.24.2112L10 Q43 Y44 I45 L608L10-R47 PolarHBondContact O-NH2 3.48Å; Q43-R47 PolarHBondContact O-N 3.46Å; Y44-R47 PolarHBondContact O-N 2.92Å; I45-R47 VanDerWaalsContact C-N 3.27Å; I45-R47 PolarHBondContact O-N 2.89Å; R47-L608 VanDerWaalsContact NH1-CG 3.26Å
48L92.5Very high93.4Very high3 Ų348.5 Ų48.52%0.01624%0.241CC..Hα-helixtrans-63.8-39.1177.7-83.8164000112.8L10 L31 Y44 I45 V50 W51 V52 L74L10-L48 HydrophobicContact CD1-CD2 3.32Å; L10-L48 HydrophobicContact CD1-CG 3.93Å; L31-L48 HydrophobicContact CD1-CD2 4.15Å; Y44-L48 HydrophobicContact CD1-CD1 4.14Å; Y44-L48 HydrophobicContact CD2-CD1 4.11Å; Y44-L48 HydrophobicContact CE1-CD1 3.61Å; Y44-L48 HydrophobicContact CE2-CD1 3.55Å; Y44-L48 HydrophobicContact CE2-CG 4.19Å; Y44-L48 HydrophobicContact CG-CD1 4.39Å; Y44-L48 PolarHBondContact O-N 2.74Å; I45-L48 HydrophobicContact CD1-CD1 4.3Å; I45-L48 WeakPolarHBondContact O-CB 3.1Å; I45-L48 PolarHBondContact O-N 2.77Å; I45-L48 VanDerWaalsContact O-N 3.12Å; L48-V50 PolarHBondContact O-N 2.86Å; L48-V50 VanDerWaalsContact O-N 3.15Å; L48-W51 WeakPolarHBondContact O-CA 3.48Å; L48-W51 WeakPolarHBondContact O-CB 3.49Å; L48-W51 PolarHBondContact O-N 3.38Å; L48-V52 WeakPolarHBondContact O-CG2 3.42Å; L48-V52 PolarHBondContact O-N 3.31Å; L48-V52 VanDerWaalsContact O-N 3.09Å; L48-L74 HydrophobicContact CB-CD2 4.21Å; L48-L74 HydrophobicContact CD1-CD1 4.22Å; L48-L74 HydrophobicContact CD2-CD1 4.33Å
49R92.3Very high93.8Very high108 Ų10848 Ų4841%0.40824%0.237SC..Hα-helixtrans-54.6-34.5-178.7-82.2175.7177.5164-6113.3I45 D46 W51 Y73I45-R49 HydrophobicContact CG2-CG 4.26Å; I45-R49 WeakPolarHBondContact O-CG 3.24Å; I45-R49 PolarHBondContact O-N 2.95Å; D46-R49 IonicContact OD1-CZ 3.29Å; D46-R49 IonicContact OD1-NH1 2.82Å; D46-R49 PolarHBondContact OD1-NH1 3.42Å; R49-W51 VanDerWaalsContact C-N 3.26Å; R49-W51 PolarHBondContact O-N 3.02Å; R49-Y73 PolarHBondContact NH2-OH 2.79Å
50V91.7Very high94.1Very high64 Ų6443.5 Ų43.539%0.38821%0.213SC..Hα-helixtrans-64.6-34.7177-177.70000111.2L48L48-V50 PolarHBondContact O-N 2.86Å; L48-V50 VanDerWaalsContact O-N 3.15Å
51W93.7Very high94.4Very high13 Ų1342.6 Ų42.65%0.04921%0.21CC..Hα-helixtrans-85.3-27.7-176.9-83108.9000114.4E8 L10 V22 H29 L48 R49 P53 H54 I55 Y697E8-W51 PolarHBondContact OE1-NE1 3.11Å; E8-W51 VanDerWaalsContact OE2-CZ2 3.27Å; E8-W51 WeakPolarHBondContact OE2-CZ2 3.29Å; L10-W51 HydrophobicContact CD1-CG 4.49Å; V22-W51 HydrophobicContact CG1-CD2 4.2Å; V22-W51 HydrophobicContact CG1-CE3 3.94Å; V22-W51 HydrophobicContact CG1-CH2 3.95Å; V22-W51 HydrophobicContact CG1-CZ2 4.2Å; V22-W51 HydrophobicContact CG1-CZ3 3.85Å; V22-W51 HydrophobicContact CG2-CD2 4Å; V22-W51 HydrophobicContact CG2-CE3 4.46Å; V22-W51 HydrophobicContact CG2-CG 4.03Å; H29-W51 AromaticContact CD2-CH2 3.95Å; H29-W51 AromaticContact CD2-CZ3 3.42Å; H29-W51 VanDerWaalsContact CD2-CZ3 3.42Å; H29-W51 WeakPolarHBondContact CD2-CZ3 3.33Å; H29-W51 AromaticContact NE2-CZ3 3.8Å; L48-W51 WeakPolarHBondContact O-CA 3.48Å; L48-W51 WeakPolarHBondContact O-CB 3.49Å; L48-W51 PolarHBondContact O-N 3.38Å; R49-W51 VanDerWaalsContact C-N 3.26Å; R49-W51 PolarHBondContact O-N 3.02Å; W51-P53 VanDerWaalsContact C-CD 3.41Å; W51-P53 VanDerWaalsContact C-N 3.32Å; W51-P53 VanDerWaalsContact O-N 3.11Å; W51-H54 HydrophobicContact CE3-CB 4.06Å; W51-H54 HydrophobicContact CZ3-CB 4.32Å; W51-H54 WeakPolarHBondContact O-CA 3.44Å; W51-H54 WeakPolarHBondContact O-CB 3.31Å; W51-H54 PolarHBondContact O-N 3.28Å; W51-I55 HydrophobicContact CB-CD1 4.29Å; W51-I55 HydrophobicContact CB-CG1 4.49Å; W51-I55 HydrophobicContact CE3-CD1 4.32Å; W51-I55 WeakPolarHBondContact O-CG1 3.37Å; W51-I55 PolarHBondContact O-N 3.34Å; W51-Y697 AromaticContact CH2-CE1 3.83Å; W51-Y697 HydrophobicContact CH2-CE1 3.83Å; W51-Y697 HydrophobicContact CH2-CE2 4.17Å; W51-Y697 AromaticContact CH2-CZ 3.41Å; W51-Y697 VanDerWaalsContact CH2-CZ 3.41Å; W51-Y697 WeakPolarHBondContact CH2-OH 3.42Å; W51-Y697 HydrophobicContact CZ2-CE1 4.43Å; W51-Y697 HydrophobicContact CZ2-CE2 4.02Å; W51-Y697 AromaticContact CZ2-CZ 3.56Å; W51-Y697 WeakPolarHBondContact CZ2-OH 3.28Å
52V93.4Very high94.7Very high13 Ų1339.6 Ų39.68%0.07919%0.194CC..THydrogen-bonded Turntrans-45.7-45.1-173.8170.90000114.3L48 H54 L74 C78 L80L48-V52 WeakPolarHBondContact O-CG2 3.42Å; L48-V52 PolarHBondContact O-N 3.31Å; L48-V52 VanDerWaalsContact O-N 3.09Å; V52-H54 PolarHBondContact O-N 3.25Å; V52-L74 HydrophobicContact CG2-CD2 4.23Å; V52-C78 WeakPolarHBondContact CG1-O 3.21Å; V52-C78 HydrophobicContact CG2-CB 4.13Å; V52-L80 HydrophobicContact CG1-CB 3.96Å; V52-L80 HydrophobicContact CG1-CD1 4.03Å
53P93.4Very high95Very high101 Ų10136.3 Ų36.366%0.65618%0.177SC*.THydrogen-bonded Turntrans-68.7-18.4179.8-2034000114.6W51W51-P53 VanDerWaalsContact C-CD 3.41Å; W51-P53 VanDerWaalsContact C-N 3.32Å; W51-P53 VanDerWaalsContact O-N 3.11Å
54H94Very high95.3Very high95 Ų9529.9 Ų29.944%0.4415%0.148SC..THydrogen-bonded Turntrans-99.6-19.5-173.1-60.2-64.6000113.5W51 V52 D56 R140W51-H54 HydrophobicContact CE3-CB 4.06Å; W51-H54 HydrophobicContact CZ3-CB 4.32Å; W51-H54 WeakPolarHBondContact O-CA 3.44Å; W51-H54 WeakPolarHBondContact O-CB 3.31Å; W51-H54 PolarHBondContact O-N 3.28Å; V52-H54 PolarHBondContact O-N 3.25Å; H54-D56 PolarHBondContact O-N 3.25Å; H54-R140 PolarHBondContact O-NH2 3.44Å; H54-R140 VanDerWaalsContact O-NH2 3.17Å
55I97.4Very high95.5Very high12 Ų1230.5 Ų30.56%0.06215%0.151CC..  trans-67.5127179.7-57.7-51.7000110.7V22 H29 L31 W51 V58 L80 C82V22-I55 HydrophobicContact CG1-CD1 4.12Å; V22-I55 HydrophobicContact CG2-CD1 4.11Å; H29-I55 HydrophobicContact CB-CD1 4.27Å; L31-I55 HydrophobicContact CB-CD1 4.27Å; L31-I55 HydrophobicContact CB-CG1 4.39Å; L31-I55 HydrophobicContact CB-CG2 3.75Å; L31-I55 HydrophobicContact CD1-CD1 4.35Å; W51-I55 HydrophobicContact CB-CD1 4.29Å; W51-I55 HydrophobicContact CB-CG1 4.49Å; W51-I55 HydrophobicContact CE3-CD1 4.32Å; W51-I55 WeakPolarHBondContact O-CG1 3.37Å; W51-I55 PolarHBondContact O-N 3.34Å; I55-V58 HydrophobicContact CG2-CG2 4.41Å; I55-L80 HydrophobicContact CB-CD1 4.17Å; I55-L80 HydrophobicContact CG2-CD1 4.4Å; I55-C82 WeakPolarHBondContact O-CB 3.44Å
56D97.4Very high95.6Very high27 Ų2732.1 Ų32.114%0.14416%0.159CC..  trans-97-29.6179.8-66.4-75.2000113.5F28 H29 H54 C82 P83 R140F28-D56 WeakPolarHBondContact CA-OD2 3.29Å; F28-D56 HydrophobicContact CD1-CB 4.11Å; F28-D56 HydrophobicContact CD2-CB 3.55Å; F28-D56 HydrophobicContact CE1-CB 3.75Å; F28-D56 HydrophobicContact CE2-CB 3.21Å; F28-D56 HydrophobicContact CG-CB 4.04Å; F28-D56 HydrophobicContact CZ-CB 3.31Å; H29-D56 PolarHBondContact N-OD2 3.04Å; H29-D56 PolarHBondContact O-N 3.03Å; H54-D56 PolarHBondContact O-N 3.25Å; D56-C82 WeakPolarHBondContact O-CB 3.48Å; D56-P83 WeakPolarHBondContact O-CD 3.34Å; D56-R140 IonicContact OD1-CZ 3.92Å; D56-R140 IonicContact OD1-NE 2.82Å; D56-R140 PolarHBondContact OD1-NE 2.85Å; D56-R140 IonicContact OD1-NH2 3.28Å; D56-R140 PolarHBondContact OD1-NH2 2.89Å; D56-R140 IonicContact OD2-CZ 3.93Å; D56-R140 IonicContact OD2-NE 3.74Å; D56-R140 IonicContact OD2-NH2 3.27Å; D56-R140 PolarHBondContact OD2-NH2 3.25Å
57A98.2Very high95.9Very high0 Ų028.4 Ų28.40%014%0.139CC..EExtended strand (participates in β ladder)trans-155.9149.9175.900000111.7F28 H29 F30 L31 P83 Y85F28-A57 HydrophobicContact CE1-CB 3.86Å; F28-A57 HydrophobicContact CZ-CB 3.78Å; H29-A57 PolarHBondContact O-N 3.36Å; F30-A57 CarbonylContact C-O 3.59Å; F30-A57 WeakPolarHBondContact CA-O 3.34Å; F30-A57 HydrophobicContact CD1-CB 4.27Å; L31-A57 PolarHBondContact N-O 2.95Å; A57-P83 WeakPolarHBondContact CA-O 3.22Å; A57-P83 HydrophobicContact CB-CG 4.41Å; A57-Y85 HydrophobicContact CB-CD2 4.1Å; A57-Y85 HydrophobicContact CB-CE2 3.86Å
58V98.7Very high96.3Very high0 Ų023.9 Ų23.90%012%0.122CC..EExtended strand (participates in β ladder)trans-106.1135.3170.3-173.80000109.2L31 I55 L60 L71 L80 P83 I84 Y85L31-V58 HydrophobicContact CB-CB 4.44Å; L31-V58 HydrophobicContact CB-CG1 4.33Å; L31-V58 HydrophobicContact CB-CG2 4.09Å; L31-V58 HydrophobicContact CD2-CG1 4.42Å; L31-V58 HydrophobicContact CD2-CG2 4.11Å; L31-V58 CarbonylContact O-C 3.45Å; L31-V58 VanDerWaalsContact O-CA 3.3Å; L31-V58 WeakPolarHBondContact O-CA 3.34Å; I55-V58 HydrophobicContact CG2-CG2 4.41Å; V58-L60 HydrophobicContact CG1-CD2 4.01Å; V58-L60 HydrophobicContact CG1-CG 4.42Å; V58-L71 HydrophobicContact CG1-CD1 4.32Å; V58-L71 HydrophobicContact CG1-CD2 4.24Å; V58-L71 HydrophobicContact CG2-CD2 4.48Å; V58-L80 HydrophobicContact CG2-CD2 4.1Å; V58-P83 PolarHBondContact N-O 3.16Å; V58-I84 HydrophobicContact CB-CB 4.27Å; V58-I84 HydrophobicContact CB-CG1 4Å; V58-I84 HydrophobicContact CB-CG2 4.07Å; V58-I84 HydrophobicContact CG1-CG2 4.28Å; V58-I84 HydrophobicContact CG2-CG1 4.03Å; V58-I84 CarbonylContact O-C 3.45Å; V58-Y85 PolarHBondContact O-N 3.25Å
59L98.8Very high96.5Very high0 Ų023.8 Ų23.80%012%0.121CC..EExtended strand (participates in β ladder)trans-111.2123.4171.9-57.4-173.4000109.2F30 L31 L32 D33 Y85 I146 W160 I162F30-L59 HydrophobicContact CD1-CD1 3.81Å; F30-L59 HydrophobicContact CD1-CD2 4.24Å; F30-L59 HydrophobicContact CD1-CG 3.86Å; F30-L59 HydrophobicContact CE1-CD1 4.14Å; F30-L59 HydrophobicContact CE1-CD2 4.42Å; F30-L59 HydrophobicContact CE1-CG 4.41Å; F30-L59 HydrophobicContact CG-CD1 4.48Å; L31-L59 PolarHBondContact O-N 3.3Å; L32-L59 HydrophobicContact CD2-CB 4.13Å; L32-L59 HydrophobicContact CD2-CD1 3.82Å; L32-L59 HydrophobicContact CD2-CG 4.23Å; D33-L59 PolarHBondContact N-O 3.35Å; L59-Y85 HydrophobicContact CD2-CD2 3.98Å; L59-Y85 HydrophobicContact CD2-CG 4.23Å; L59-I146 HydrophobicContact CD1-CG2 4.3Å; L59-I146 HydrophobicContact CD2-CD1 3.64Å; L59-I146 HydrophobicContact CD2-CG2 4.38Å; L59-W160 HydrophobicContact CB-CD2 3.98Å; L59-W160 HydrophobicContact CB-CG 4.1Å; L59-W160 HydrophobicContact CB-CZ2 4.33Å; L59-W160 HydrophobicContact CD1-CB 4.16Å; L59-W160 HydrophobicContact CD1-CD2 4.03Å; L59-W160 HydrophobicContact CD1-CE3 4.19Å; L59-W160 HydrophobicContact CD1-CG 4.03Å; L59-W160 HydrophobicContact CD2-CD2 4.37Å; L59-W160 HydrophobicContact CD2-CE3 4.2Å; L59-W160 HydrophobicContact CD2-CH2 4.35Å; L59-W160 HydrophobicContact CD2-CZ3 4.2Å; L59-W160 HydrophobicContact CG-CD2 4.35Å; L59-I162 HydrophobicContact CD1-CD1 3.83Å; L59-I162 HydrophobicContact CD1-CG1 4.12Å
60L98.8Very high96.8Very high1 Ų118.6 Ų18.61%0.00510%0.101CC..  trans-104.2127.5-178.9-66.8-176.4000112.4V58 I68 L71 I84 Y85 A86 V90 W160V58-L60 HydrophobicContact CG1-CD2 4.01Å; V58-L60 HydrophobicContact CG1-CG 4.42Å; L60-I68 HydrophobicContact CD1-CG2 3.74Å; L60-I68 HydrophobicContact CD2-CG2 3.72Å; L60-I68 HydrophobicContact CG-CG2 4.21Å; L60-L71 HydrophobicContact CD1-CD1 4.04Å; L60-L71 HydrophobicContact CD2-CD1 3.67Å; L60-L71 HydrophobicContact CG-CD1 4.32Å; L60-I84 HydrophobicContact CD1-CG2 3.56Å; L60-I84 HydrophobicContact CG-CG2 3.79Å; L60-Y85 PolarHBondContact N-O 2.9Å; L60-A86 HydrophobicContact CB-CB 4Å; L60-A86 HydrophobicContact CD1-CB 4.18Å; L60-V90 HydrophobicContact CB-CG1 4.16Å; L60-W160 VanDerWaalsContact C-NE1 3.31Å; L60-W160 WeakPolarHBondContact O-CZ2 3.44Å; L60-W160 PolarHBondContact O-NE1 3.49Å
61T98.6Very high97.1Very high0 Ų015.6 Ų15.60%08%0.083CC..  trans-89.5-48.1-176.8-540000111.2D33 G157 T158 Y172 V174D33-T61 VanDerWaalsContact CG-OG1 3.29Å; D33-T61 WeakPolarHBondContact OD1-CB 3.45Å; D33-T61 PolarHBondContact OD1-N 3.24Å; D33-T61 PolarHBondContact OD1-OG1 3.03Å; D33-T61 WeakPolarHBondContact OD2-CB 3.44Å; D33-T61 PolarHBondContact OD2-OG1 2.85Å; T61-G157 CarbonylContact O-C 3.18Å; T61-G157 VanDerWaalsContact O-CA 3.3Å; T61-G157 WeakPolarHBondContact O-CA 3.29Å; T61-T158 WeakPolarHBondContact CG2-O 3.46Å; T61-T158 PolarHBondContact O-N 3.09Å; T61-Y172 WeakPolarHBondContact OG1-CE1 3.45Å; T61-V174 HydrophobicContact CG2-CG2 3.84Å
62F98.5Very high97.2Very high0 Ų015 Ų150%08%0.081CC..  trans-138.2161.2-176-66.9-71.1000112.1H67 I68 A151 H153 M154 G157 V174 D175F62-H67 HydrophobicContact CB-CB 4.28Å; F62-H67 AromaticContact CD2-CD2 3.95Å; F62-H67 AromaticContact CD2-CE1 3.64Å; F62-H67 AromaticContact CD2-NE2 3.55Å; F62-H67 WeakPolarHBondContact O-CB 3.38Å; F62-I68 WeakPolarHBondContact O-CG2 3.49Å; F62-A151 HydrophobicContact CE1-CB 4Å; F62-A151 HydrophobicContact CZ-CB 3.61Å; F62-H153 AromaticContact CD1-CD2 3.91Å; F62-H153 HydrophobicContact CE1-CB 3.61Å; F62-H153 AromaticContact CE1-CD2 3.62Å; F62-H153 AromaticContact CE1-CG 4Å; F62-H153 AromaticContact CE2-CD2 3.96Å; F62-H153 HydrophobicContact CZ-CB 3.62Å; F62-H153 AromaticContact CZ-CD2 3.66Å; F62-M154 HydrophobicContact CD1-CB 3.91Å; F62-M154 HydrophobicContact CD1-CG 4.08Å; F62-M154 HydrophobicContact CE1-CB 4.37Å; F62-G157 VanDerWaalsContact CD1-CA 3.46Å; F62-V174 WeakPolarHBondContact CE2-O 3.09Å; F62-D175 HydrophobicContact CD2-CB 4.32Å; F62-D175 HydrophobicContact CE2-CB 3.7Å; F62-D175 HydrophobicContact CZ-CB 4.47Å; F62-D175 WeakPolarHBondContact CZ-O 3.44Å
63P98.2Very high97.4Very high0 Ų015.5 Ų15.50%08%0.081CC..SBendtrans-83.9-2.8-175.932-34.3000115.3I68 V90 M93 G94 F97 M154P63-I68 WeakPolarHBondContact O-CD1 3.36Å; P63-V90 HydrophobicContact CB-CG1 4.43Å; P63-M93 HydrophobicContact CB-CB 3.9Å; P63-M93 HydrophobicContact CG-CB 4.05Å; P63-G94 WeakPolarHBondContact O-CA 3.45Å; P63-F97 HydrophobicContact CB-CD2 3.93Å; P63-F97 HydrophobicContact CB-CE2 4.14Å; P63-F97 HydrophobicContact CG-CD2 4.17Å; P63-F97 HydrophobicContact CG-CE2 3.85Å; P63-F97 WeakPolarHBondContact O-CB 3.33Å; P63-F97 VanDerWaalsContact O-CD2 3.28Å; P63-F97 WeakPolarHBondContact O-CD2 3.39Å; P63-F97 WeakPolarHBondContact O-CG 3.3Å; P63-M154 HydrophobicContact CG-SD 4.22Å
64D97.2Very high97.6Very high5 Ų510.7 Ų10.73%0.0275%0.05CC..SBendtrans-87.5169.5-171.268.5-28.5000113.4Q66 H67 I68 F97 M154D64-Q66 PolarHBondContact O-N 2.96Å; D64-Q66 VanDerWaalsContact O-N 3.12Å; D64-H67 PolarHBondContact O-N 3.01Å; D64-H67 IonicContact OD1-CE1 3.92Å; D64-H67 IonicContact OD1-CG 2.65Å; D64-H67 IonicContact OD1-ND1 3.67Å; D64-H67 PolarHBondContact OD1-ND1 2.96Å; D64-H67 IonicContact OD2-ND1 2.72Å; D64-I68 WeakPolarHBondContact O-CG1 3.34Å; D64-I68 PolarHBondContact O-N 2.65Å; D64-F97 HydrophobicContact CB-CD1 4.2Å; D64-F97 HydrophobicContact CB-CE1 3.75Å; D64-F97 HydrophobicContact CB-CE2 4.41Å; D64-F97 HydrophobicContact CB-CZ 3.87Å; D64-M154 HydrophobicContact CB-CE 3.99Å; D64-M154 HydrophobicContact CB-SD 4.31Å
65Q96.2Very high97.7Very high26 Ų266.7 Ų6.712%0.1213%0.032CC..Hα-helixtrans-58.9-28.6-177.2-65.980600113G35 W36 H67 G69 F97 M98 W101G35-Q65 CarbonylContact C-O 3.53Å; G35-Q65 WeakPolarHBondContact CA-O 3.37Å; W36-Q65 PolarHBondContact N-O 2.72Å; Q65-H67 PolarHBondContact O-N 3.34Å; Q65-G69 PolarHBondContact O-N 3.18Å; Q65-G69 VanDerWaalsContact O-N 3.16Å; Q65-F97 PolarHBondContact NE2-O 3.39Å; Q65-M98 HydrophobicContact CG-CE 3.9Å; Q65-W101 HydrophobicContact CB-CH2 4.38Å; Q65-W101 HydrophobicContact CB-CZ3 4.4Å; Q65-W101 HydrophobicContact CG-CD2 3.6Å; Q65-W101 HydrophobicContact CG-CE3 3.63Å; Q65-W101 HydrophobicContact CG-CG 4.17Å; Q65-W101 HydrophobicContact CG-CH2 4.13Å; Q65-W101 HydrophobicContact CG-CZ2 4.09Å; Q65-W101 HydrophobicContact CG-CZ3 3.9Å
66Q96Very high97.6Very high34 Ų347.6 Ų7.616%0.1595%0.045CC..Hα-helixtrans-66.6-15.8178.3-65-165.8-10.300113.6L19 G35 D64L19-Q66 PolarHBondContact N-O 3.43Å; G35-Q66 VanDerWaalsContact CA-C 3.43Å; G35-Q66 WeakPolarHBondContact CA-O 3.32Å; D64-Q66 PolarHBondContact O-N 2.96Å; D64-Q66 VanDerWaalsContact O-N 3.12Å
67H98.3Very high97.4Very high0 Ų011 Ų110%06%0.058CC..Hα-helixtrans-122.2-27.7-175.5-63.184.5000113.4D33 C34 G35 F62 D64 Q65 D175D33-H67 HydrophobicContact CB-CB 4.33Å; D33-H67 IonicContact OD1-CD2 3.28Å; D33-H67 IonicContact OD2-CD2 2.87Å; D33-H67 PolarHBondContact OD2-CD2 2.89Å; C34-H67 CarbonylContact C-O 3.58Å; C34-H67 VanDerWaalsContact C-O 3.29Å; C34-H67 PolarHBondContact N-O 3.05Å; G35-H67 PolarHBondContact N-O 3.06Å; F62-H67 HydrophobicContact CB-CB 4.28Å; F62-H67 AromaticContact CD2-CD2 3.95Å; F62-H67 AromaticContact CD2-CE1 3.64Å; F62-H67 AromaticContact CD2-NE2 3.55Å; F62-H67 WeakPolarHBondContact O-CB 3.38Å; D64-H67 PolarHBondContact O-N 3.01Å; D64-H67 IonicContact OD1-CE1 3.92Å; D64-H67 IonicContact OD1-CG 2.65Å; D64-H67 IonicContact OD1-ND1 3.67Å; D64-H67 PolarHBondContact OD1-ND1 2.96Å; D64-H67 IonicContact OD2-ND1 2.72Å; Q65-H67 PolarHBondContact O-N 3.34Å; H67-D175 IonicContact CE1-OD2 2.85Å; H67-D175 PolarHBondContact CE1-OD2 3.28Å; H67-D175 VanDerWaalsContact CE1-OD2 3.27Å; H67-D175 IonicContact NE2-OD2 2.85Å; H67-D175 PolarHBondContact NE2-OD2 2.81Å
68I98.1Very high97.2Very high0 Ų012.3 Ų12.30%07%0.067CC..Hα-helixtrans-122.2-7.7-176.973.1172.1000115C34 L60 F62 P63 D64 A70 L71 M98 F123C34-I68 CarbonylContact O-C 3.59Å; C34-I68 VanDerWaalsContact O-C 3.24Å; L60-I68 HydrophobicContact CD1-CG2 3.74Å; L60-I68 HydrophobicContact CD2-CG2 3.72Å; L60-I68 HydrophobicContact CG-CG2 4.21Å; F62-I68 WeakPolarHBondContact O-CG2 3.49Å; P63-I68 WeakPolarHBondContact O-CD1 3.36Å; D64-I68 WeakPolarHBondContact O-CG1 3.34Å; D64-I68 PolarHBondContact O-N 2.65Å; I68-A70 VanDerWaalsContact C-N 3.3Å; I68-A70 PolarHBondContact O-N 3.44Å; I68-A70 VanDerWaalsContact O-N 3.1Å; I68-L71 HydrophobicContact CB-CD1 4.39Å; I68-L71 WeakPolarHBondContact O-CB 3.32Å; I68-L71 PolarHBondContact O-N 3.08Å; I68-M98 HydrophobicContact CD1-CE 3.82Å; I68-M98 HydrophobicContact CD1-CG 3.82Å; I68-M98 HydrophobicContact CD1-SD 4.15Å; I68-M98 HydrophobicContact CG1-CE 3.59Å; I68-M98 HydrophobicContact CG1-CG 4.33Å; I68-M98 HydrophobicContact CG1-SD 4Å; I68-F123 HydrophobicContact CD1-CZ 3.87Å
69G97.4Very high96.9Very high0 Ų014.8 Ų14.80%09%0.092CC..THydrogen-bonded Turntrans-58.9-29.6-162.400000116.5C34 Q65C34-G69 PolarHBondContact O-N 3.42Å; Q65-G69 PolarHBondContact O-N 3.18Å; Q65-G69 VanDerWaalsContact O-N 3.16Å
70A97.9Very high96.8Very high0 Ų014.9 Ų14.90%09%0.093CC..THydrogen-bonded Turntrans-90.7-12.9-178.900000113.2C34 W36 Y44 I45 I68 Y73 L74C34-A70 PolarHBondContact O-N 3.45Å; C34-A70 VanDerWaalsContact SG-CB 3.57Å; W36-A70 HydrophobicContact CB-CB 3.83Å; W36-A70 HydrophobicContact CD2-CB 4.15Å; W36-A70 HydrophobicContact CE3-CB 4.22Å; W36-A70 HydrophobicContact CG-CB 4.02Å; Y44-A70 HydrophobicContact CE1-CB 3.88Å; I45-A70 HydrophobicContact CD1-CB 3.94Å; I68-A70 VanDerWaalsContact C-N 3.3Å; I68-A70 PolarHBondContact O-N 3.44Å; I68-A70 VanDerWaalsContact O-N 3.1Å; A70-Y73 WeakPolarHBondContact O-CB 3.43Å; A70-Y73 PolarHBondContact O-N 2.84Å; A70-L74 WeakPolarHBondContact O-CG 3.34Å; A70-L74 PolarHBondContact O-N 2.85Å
71L98.1Very high96.6Very high0 Ų019.3 Ų19.30%012%0.124CC..Hα-helixtrans-61.7-41.5-175.8-69.3177.8000114.6C34 V58 L60 I68 Y73 L74 V75 L80 I84 M122C34-L71 HydrophobicContact CB-CD2 3.53Å; C34-L71 HydrophobicContact CB-CG 3.77Å; V58-L71 HydrophobicContact CG1-CD1 4.32Å; V58-L71 HydrophobicContact CG1-CD2 4.24Å; V58-L71 HydrophobicContact CG2-CD2 4.48Å; L60-L71 HydrophobicContact CD1-CD1 4.04Å; L60-L71 HydrophobicContact CD2-CD1 3.67Å; L60-L71 HydrophobicContact CG-CD1 4.32Å; I68-L71 HydrophobicContact CB-CD1 4.39Å; I68-L71 WeakPolarHBondContact O-CB 3.32Å; I68-L71 PolarHBondContact O-N 3.08Å; L71-Y73 PolarHBondContact O-N 2.97Å; L71-L74 PolarHBondContact O-N 2.91Å; L71-L74 VanDerWaalsContact O-N 3.11Å; L71-V75 WeakPolarHBondContact O-CG2 3.41Å; L71-V75 PolarHBondContact O-N 2.94Å; L71-L80 HydrophobicContact CD2-CD2 4Å; L71-I84 HydrophobicContact CD1-CD1 4.36Å; L71-M122 HydrophobicContact CB-CE 4.15Å; L71-M122 HydrophobicContact CB-CG 3.6Å; L71-M122 HydrophobicContact CB-SD 4.08Å; L71-M122 HydrophobicContact CD1-SD 4.17Å
72P97.6Very high96.4Very high0 Ų020 Ų200%013%0.128CC..Hα-helixtrans-55.3-43.9175.8-26.836.2000111.7G76 M98 F114 D118 V119 M122P72-G76 PolarHBondContact O-N 2.99Å; P72-M98 HydrophobicContact CG-CG 4.42Å; P72-M98 HydrophobicContact CG-SD 4.19Å; P72-F114 HydrophobicContact CB-CB 4.25Å; P72-F114 HydrophobicContact CB-CD2 4.07Å; P72-F114 HydrophobicContact CB-CG 4.19Å; P72-D118 HydrophobicContact CB-CB 4.22Å; P72-V119 HydrophobicContact CB-CG2 3.93Å; P72-V119 HydrophobicContact CG-CG2 3.92Å; P72-M122 HydrophobicContact CG-CE 4.09Å
73Y97.2Very high96.4Very high24 Ų2422 Ų229%0.09414%0.142CC..Hα-helixtrans-63.9-44.7176.3-170.9-80.8000112.1W36 M42 I45 R49 A70 L71 K77 C78 I113W36-Y73 HydrophobicContact CH2-CD2 4.06Å; W36-Y73 HydrophobicContact CH2-CG 4.3Å; W36-Y73 HydrophobicContact CZ3-CD2 4.27Å; W36-Y73 HydrophobicContact CZ3-CG 4.3Å; M42-Y73 HydrophobicContact CE-CE2 4.49Å; I45-Y73 HydrophobicContact CD1-CD1 4.35Å; I45-Y73 HydrophobicContact CG2-CD1 3.92Å; I45-Y73 HydrophobicContact CG2-CE1 3.54Å; R49-Y73 PolarHBondContact NH2-OH 2.79Å; A70-Y73 WeakPolarHBondContact O-CB 3.43Å; A70-Y73 PolarHBondContact O-N 2.84Å; L71-Y73 PolarHBondContact O-N 2.97Å; Y73-K77 HydrophobicContact CD1-CB 4.47Å; Y73-K77 HydrophobicContact CD2-CD 3.96Å; Y73-K77 HydrophobicContact CE1-CB 4.26Å; Y73-K77 HydrophobicContact CE2-CD 3.69Å; Y73-K77 WeakPolarHBondContact O-CA 3.49Å; Y73-K77 WeakPolarHBondContact O-CB 3.36Å; Y73-K77 PolarHBondContact O-N 3.37Å; Y73-C78 PolarHBondContact O-N 3.41Å; Y73-I113 HydrophobicContact CD2-CG2 3.93Å; Y73-I113 WeakPolarHBondContact CD2-O 3.42Å; Y73-I113 HydrophobicContact CE2-CG2 4.28Å; Y73-I113 WeakPolarHBondContact CE2-O 3.28Å
74L97.1Very high96.4Very high1 Ų122 Ų221%0.00514%0.142CC..Hα-helixtrans-65.5-40.5-179.1-67.2-171.9000112.7C34 I45 L48 V52 A70 L71 C78 G79 L80C34-L74 WeakPolarHBondContact SG-CD1 3.45Å; I45-L74 HydrophobicContact CD1-CD2 4.42Å; L48-L74 HydrophobicContact CB-CD2 4.21Å; L48-L74 HydrophobicContact CD1-CD1 4.22Å; L48-L74 HydrophobicContact CD2-CD1 4.33Å; V52-L74 HydrophobicContact CG2-CD2 4.23Å; A70-L74 WeakPolarHBondContact O-CG 3.34Å; A70-L74 PolarHBondContact O-N 2.85Å; L71-L74 PolarHBondContact O-N 2.91Å; L71-L74 VanDerWaalsContact O-N 3.11Å; L74-C78 HydrophobicContact CD2-CB 4.08Å; L74-C78 CarbonylContact O-C 3.6Å; L74-C78 VanDerWaalsContact O-C 3.32Å; L74-C78 WeakPolarHBondContact O-CA 3.36Å; L74-C78 VanDerWaalsContact O-CB 3.3Å; L74-C78 WeakPolarHBondContact O-CB 3.1Å; L74-C78 PolarHBondContact O-N 3.24Å; L74-C78 VanDerWaalsContact O-N 3.12Å; L74-G79 PolarHBondContact O-N 2.92Å; L74-L80 HydrophobicContact CB-CB 4.08Å; L74-L80 HydrophobicContact CB-CD2 4.08Å; L74-L80 HydrophobicContact CD1-CD2 4.31Å; L74-L80 WeakPolarHBondContact O-CB 3.48Å; L74-L80 PolarHBondContact O-N 2.89Å
75V96.7Very high96.5Very high10 Ų1022.2 Ų22.26%0.06114%0.142CC..Hα-helixtrans-70.5-54.6179173.60000110.4L71 L80 Q121 M122 K125L71-V75 WeakPolarHBondContact O-CG2 3.41Å; L71-V75 PolarHBondContact O-N 2.94Å; V75-L80 HydrophobicContact CG2-CB 4.25Å; V75-L80 HydrophobicContact CG2-CD2 4.37Å; V75-Q121 HydrophobicContact CG1-CB 4.17Å; V75-M122 HydrophobicContact CB-CB 4.2Å; V75-M122 HydrophobicContact CG2-CB 4.05Å; V75-M122 HydrophobicContact CG2-CG 3.94Å; V75-K125 HydrophobicContact CG1-CD 3.99Å; V75-K125 HydrophobicContact CG2-CD 4.29Å
76G93.8Very high96.6Very high31 Ų3121 Ų2132%0.3214%0.137SC..Hα-helixtrans-71.1-34.6-174.100000114.3P72 D118P72-G76 PolarHBondContact O-N 2.99Å; G76-D118 WeakPolarHBondContact CA-OD1 3.44Å
77K94.1Very high96.7Very high98 Ų9819.4 Ų19.443%0.42613%0.129SC..Hα-helixtrans-118.7-23.8-170.1-58.9-174.1177.2-176.20115.3Y73 S112 I113Y73-K77 HydrophobicContact CD1-CB 4.47Å; Y73-K77 HydrophobicContact CD2-CD 3.96Å; Y73-K77 HydrophobicContact CE1-CB 4.26Å; Y73-K77 HydrophobicContact CE2-CD 3.69Å; Y73-K77 WeakPolarHBondContact O-CA 3.49Å; Y73-K77 WeakPolarHBondContact O-CB 3.36Å; Y73-K77 PolarHBondContact O-N 3.37Å; K77-S112 PolarHBondContact NZ-O 2.88Å; K77-I113 WeakPolarHBondContact CE-O 3.39Å; K77-I113 PolarHBondContact NZ-O 2.83Å
78C94.1Very high96.7Very high29 Ų2921 Ų2120%0.19614%0.139CC..Hα-helixtrans-103.5-6177.7-57.80000113.4V52 Y73 L74V52-C78 WeakPolarHBondContact CG1-O 3.21Å; V52-C78 HydrophobicContact CG2-CB 4.13Å; Y73-C78 PolarHBondContact O-N 3.41Å; L74-C78 HydrophobicContact CD2-CB 4.08Å; L74-C78 CarbonylContact O-C 3.6Å; L74-C78 VanDerWaalsContact O-C 3.32Å; L74-C78 WeakPolarHBondContact O-CA 3.36Å; L74-C78 VanDerWaalsContact O-CB 3.3Å; L74-C78 WeakPolarHBondContact O-CB 3.1Å; L74-C78 PolarHBondContact O-N 3.24Å; L74-C78 VanDerWaalsContact O-N 3.12Å
79G92.8Very high96.7Very high51 Ų5121 Ų2153%0.52614%0.139SC..  trans7823.5176.600000114.8L74 S81L74-G79 PolarHBondContact O-N 2.92Å; G79-S81 PolarHBondContact O-N 2.98Å; G79-S81 VanDerWaalsContact O-N 3.09Å
80L96.2Very high96.7Very high3 Ų321 Ų212%0.01614%0.139CC..  trans-63.2112.4172.8-173.471.1000109.6V52 I55 V58 L71 L74 V75 C82 K125V52-L80 HydrophobicContact CG1-CB 3.96Å; V52-L80 HydrophobicContact CG1-CD1 4.03Å; I55-L80 HydrophobicContact CB-CD1 4.17Å; I55-L80 HydrophobicContact CG2-CD1 4.4Å; V58-L80 HydrophobicContact CG2-CD2 4.1Å; L71-L80 HydrophobicContact CD2-CD2 4Å; L74-L80 HydrophobicContact CB-CB 4.08Å; L74-L80 HydrophobicContact CB-CD2 4.08Å; L74-L80 HydrophobicContact CD1-CD2 4.31Å; L74-L80 WeakPolarHBondContact O-CB 3.48Å; L74-L80 PolarHBondContact O-N 2.89Å; V75-L80 HydrophobicContact CG2-CB 4.25Å; V75-L80 HydrophobicContact CG2-CD2 4.37Å; L80-C82 VanDerWaalsContact CD1-SG 3.58Å; L80-K125 WeakPolarHBondContact O-CE 3.36Å
81S93.5Very high96.7Very high94 Ų9422.6 Ų22.666%0.65715%0.145SC*.  trans-116.6-6.9-170.958.60000114.4G79G79-S81 PolarHBondContact O-N 2.98Å; G79-S81 VanDerWaalsContact O-N 3.09Å
82C95.7Very high96.7Very high13 Ų1325.9 Ų25.99%0.08816%0.158CC..SBendtrans-66.1158.9-17965.70000112.9I55 D56 L80I55-C82 WeakPolarHBondContact O-CB 3.44Å; D56-C82 WeakPolarHBondContact O-CB 3.48Å; L80-C82 VanDerWaalsContact CD1-SG 3.58Å
83P97.5Very high96.7Very high43 Ų4325.9 Ų25.928%0.27916%0.158SC..  trans-63.1141.717326.6-37000113.2D56 A57 V58 Y85D56-P83 WeakPolarHBondContact O-CD 3.34Å; A57-P83 WeakPolarHBondContact CA-O 3.22Å; A57-P83 HydrophobicContact CB-CG 4.41Å; V58-P83 PolarHBondContact N-O 3.16Å; P83-Y85 HydrophobicContact CB-CE2 4.02Å; P83-Y85 HydrophobicContact CG-CE2 4.1Å
84I98.6Very high96.8Very high0 Ų024.8 Ų24.80%015%0.153CC..EExtended strand (participates in β ladder)trans-109.7132174.1-55.4175.8000107.7V58 L60 L71 M122 K125 V126 Q127V58-I84 HydrophobicContact CB-CB 4.27Å; V58-I84 HydrophobicContact CB-CG1 4Å; V58-I84 HydrophobicContact CB-CG2 4.07Å; V58-I84 HydrophobicContact CG1-CG2 4.28Å; V58-I84 HydrophobicContact CG2-CG1 4.03Å; V58-I84 CarbonylContact O-C 3.45Å; L60-I84 HydrophobicContact CD1-CG2 3.56Å; L60-I84 HydrophobicContact CG-CG2 3.79Å; L71-I84 HydrophobicContact CD1-CD1 4.36Å; I84-M122 HydrophobicContact CD1-CG 3.98Å; I84-M122 HydrophobicContact CD1-SD 4.03Å; I84-K125 HydrophobicContact CD1-CB 4.21Å; I84-K125 HydrophobicContact CG1-CB 4.31Å; I84-K125 PolarHBondContact N-O 2.99Å; I84-K125 VanDerWaalsContact N-O 3.09Å; I84-V126 HydrophobicContact CB-CG2 3.94Å; I84-V126 HydrophobicContact CD1-CG2 4.47Å; I84-V126 HydrophobicContact CG2-CG2 3.84Å; I84-V126 CarbonylContact O-C 3.58Å; I84-V126 VanDerWaalsContact O-CA 3.28Å; I84-V126 WeakPolarHBondContact O-CA 3.18Å; I84-Q127 PolarHBondContact O-N 3.42Å
85Y98.7Very high96.8Very high9 Ų925.6 Ų25.64%0.03516%0.157CC..EExtended strand (participates in β ladder)trans-110.3127.9178.6-65.5-85.6000110.2A57 V58 L59 L60 P83 Q127 V129 V135 L137 I146 W160A57-Y85 HydrophobicContact CB-CD2 4.1Å; A57-Y85 HydrophobicContact CB-CE2 3.86Å; V58-Y85 PolarHBondContact O-N 3.25Å; L59-Y85 HydrophobicContact CD2-CD2 3.98Å; L59-Y85 HydrophobicContact CD2-CG 4.23Å; L60-Y85 PolarHBondContact N-O 2.9Å; P83-Y85 HydrophobicContact CB-CE2 4.02Å; P83-Y85 HydrophobicContact CG-CE2 4.1Å; Y85-Q127 HydrophobicContact CD1-CB 3.75Å; Y85-Q127 HydrophobicContact CE1-CB 3.8Å; Y85-Q127 HydrophobicContact CE1-CG 4.3Å; Y85-Q127 PolarHBondContact OH-NE2 3.37Å; Y85-Q127 PolarHBondContact OH-OE1 3.46Å; Y85-V129 HydrophobicContact CD1-CG1 4.24Å; Y85-V135 HydrophobicContact CE1-CG1 3.93Å; Y85-L137 HydrophobicContact CE2-CD2 3.87Å; Y85-I146 HydrophobicContact CD1-CD1 3.75Å; Y85-I146 HydrophobicContact CD2-CD1 3.8Å; Y85-I146 HydrophobicContact CE1-CD1 4.19Å; Y85-I146 HydrophobicContact CE2-CD1 4.24Å; Y85-I146 HydrophobicContact CG-CD1 3.53Å; Y85-W160 WeakPolarHBondContact O-CZ2 3.41Å
86A98.7Very high96.9Very high1 Ų125.3 Ų25.31%0.00816%0.155CC..EExtended strand (participates in β ladder)trans-150.8156.6179.200000110.3L60 V90 V126 Q127 Q128 V129L60-A86 HydrophobicContact CB-CB 4Å; L60-A86 HydrophobicContact CD1-CB 4.18Å; A86-V90 HydrophobicContact CB-CB 4.15Å; A86-V90 HydrophobicContact CB-CG1 3.86Å; A86-V126 HydrophobicContact CB-CG1 3.69Å; A86-Q127 PolarHBondContact N-O 2.68Å; A86-Q128 CarbonylContact O-C 3.5Å; A86-Q128 VanDerWaalsContact O-CA 3.29Å; A86-Q128 WeakPolarHBondContact O-CA 3.26Å; A86-V129 WeakPolarHBondContact O-CG2 3.16Å; A86-V129 PolarHBondContact O-N 2.88Å
87T98.6Very high97.1Very high0 Ų023.9 Ų23.90%014%0.14CC..EExtended strand (participates in β ladder)trans-72.4161170.959.10000111.7V90 Y91 V129 Y131 P148 G156 T158 W286T87-V90 PolarHBondContact O-N 3.43Å; T87-V90 VanDerWaalsContact O-N 3.12Å; T87-V90 WeakPolarHBondContact OG1-CG2 3.29Å; T87-Y91 PolarHBondContact O-N 3.01Å; T87-V129 VanDerWaalsContact CA-O 3.28Å; T87-V129 WeakPolarHBondContact CA-O 3.17Å; T87-V129 HydrophobicContact CG2-CG2 4.35Å; T87-Y131 HydrophobicContact CG2-CD1 4.15Å; T87-Y131 HydrophobicContact CG2-CE1 3.95Å; T87-P148 HydrophobicContact CG2-CB 4.05Å; T87-G156 WeakPolarHBondContact OG1-CA 3.38Å; T87-G156 PolarHBondContact OG1-O 2.93Å; T87-T158 WeakPolarHBondContact CG2-OG1 3.23Å; T87-W286 HydrophobicContact CG2-CH2 4Å; T87-W286 HydrophobicContact CG2-CZ3 3.81Å
88V97.6Very high97.3Very high34 Ų3419.2 Ų19.221%0.20612%0.12CC..Hα-helixtrans-53.6-44.6179.4-1780000112.5Y91 R92 Q128 W286V88-Y91 WeakPolarHBondContact O-CB 3.45Å; V88-Y91 PolarHBondContact O-N 3.13Å; V88-R92 PolarHBondContact O-N 3.47Å; V88-R92 VanDerWaalsContact O-N 3.13Å; V88-Q128 HydrophobicContact CG2-CB 4.17Å; V88-W286 HydrophobicContact CB-CZ2 3.92Å; V88-W286 HydrophobicContact CG2-CZ2 3.97Å
89P98.3Very high97.4Very high0 Ų018.9 Ų18.90%012%0.115CC..Hα-helixtrans-70.9-36176.9-18.233000113.2Y91 R92 M93 I155 W286P89-Y91 VanDerWaalsContact C-N 3.27Å; P89-Y91 PolarHBondContact O-N 3.41Å; P89-R92 PolarHBondContact O-N 3.48Å; P89-M93 WeakPolarHBondContact O-CB 3.48Å; P89-M93 WeakPolarHBondContact O-CG 3.16Å; P89-M93 PolarHBondContact O-N 3.01Å; P89-I155 HydrophobicContact CB-CB 4.47Å; P89-I155 HydrophobicContact CB-CD1 4.49Å; P89-I155 HydrophobicContact CB-CG1 3.92Å; P89-I155 HydrophobicContact CB-CG2 4.19Å; P89-I155 HydrophobicContact CG-CG1 4.2Å; P89-W286 HydrophobicContact CG-CB 3.94Å; P89-W286 HydrophobicContact CG-CD2 3.42Å; P89-W286 VanDerWaalsContact CG-CD2 3.42Å; P89-W286 HydrophobicContact CG-CE3 3.77Å; P89-W286 HydrophobicContact CG-CG 3.45Å; P89-W286 VanDerWaalsContact CG-CG 3.45Å; P89-W286 HydrophobicContact CG-CZ3 4.43Å
90V98.5Very high97.7Very high1 Ų116.4 Ų16.41%0.0069%0.09CC..Hα-helixtrans-62.2-40176.3172.20000110.5L60 P63 A86 T87 G94 G156L60-V90 HydrophobicContact CB-CG1 4.16Å; P63-V90 HydrophobicContact CB-CG1 4.43Å; A86-V90 HydrophobicContact CB-CB 4.15Å; A86-V90 HydrophobicContact CB-CG1 3.86Å; T87-V90 PolarHBondContact O-N 3.43Å; T87-V90 VanDerWaalsContact O-N 3.12Å; T87-V90 WeakPolarHBondContact OG1-CG2 3.29Å; V90-G94 VanDerWaalsContact O-CA 3.27Å; V90-G94 WeakPolarHBondContact O-CA 3.09Å; V90-G94 PolarHBondContact O-N 3.28Å; V90-G156 VanDerWaalsContact CG2-O 3.3Å; V90-G156 WeakPolarHBondContact CG2-O 3.4Å
91Y98.3Very high97.7Very high32 Ų3216.3 Ų16.313%0.1259%0.089CC..Hα-helixtrans-58.9-58.8173170.3-102.5000112T87 V88 P89 G94 Q95 F123 V126 Q128T87-Y91 PolarHBondContact O-N 3.01Å; V88-Y91 WeakPolarHBondContact O-CB 3.45Å; V88-Y91 PolarHBondContact O-N 3.13Å; P89-Y91 VanDerWaalsContact C-N 3.27Å; P89-Y91 PolarHBondContact O-N 3.41Å; Y91-G94 PolarHBondContact O-N 3.05Å; Y91-Q95 WeakPolarHBondContact O-CG 3.26Å; Y91-Q95 PolarHBondContact O-N 3.41Å; Y91-F123 HydrophobicContact CD2-CB 4.44Å; Y91-F123 AromaticContact CD2-CD1 3.59Å; Y91-F123 HydrophobicContact CD2-CD1 3.59Å; Y91-F123 HydrophobicContact CD2-CE1 4.37Å; Y91-F123 HydrophobicContact CD2-CG 4.45Å; Y91-F123 HydrophobicContact CE2-CB 3.81Å; Y91-F123 AromaticContact CE2-CD1 3.81Å; Y91-F123 HydrophobicContact CE2-CD1 3.81Å; Y91-F123 HydrophobicContact CE2-CG 4.24Å; Y91-F123 WeakPolarHBondContact CE2-O 3.36Å; Y91-F123 VanDerWaalsContact O-CE1 3.3Å; Y91-F123 WeakPolarHBondContact O-CE1 3.28Å; Y91-V126 HydrophobicContact CD2-CB 3.74Å; Y91-V126 HydrophobicContact CD2-CG1 3.74Å; Y91-V126 HydrophobicContact CD2-CG2 4.29Å; Y91-V126 HydrophobicContact CE2-CB 4.2Å; Y91-V126 HydrophobicContact CG-CG1 4.41Å; Y91-Q128 VanDerWaalsContact CD1-CD 3.47Å; Y91-Q128 HydrophobicContact CD1-CG 4.05Å; Y91-Q128 HydrophobicContact CD2-CG 4.28Å; Y91-Q128 HydrophobicContact CG-CG 3.84Å
92R97.4Very high97.8Very high70 Ų7012.6 Ų12.626%0.2646%0.061SC..Hα-helixtrans-68-46.5-175.4-65.8-60.7-171.5-177.44.7113.3V88 P89 G94 Q95 M96 F279V88-R92 PolarHBondContact O-N 3.47Å; V88-R92 VanDerWaalsContact O-N 3.13Å; P89-R92 PolarHBondContact O-N 3.48Å; R92-G94 VanDerWaalsContact C-N 3.31Å; R92-Q95 WeakPolarHBondContact O-CB 3Å; R92-Q95 PolarHBondContact O-N 2.77Å; R92-M96 PolarHBondContact O-N 2.82Å; R92-F279 HydrophobicContact CB-CG 4.43Å
93M97.9Very high97.8Very high0 Ų013.8 Ų13.80%07%0.065CC..Hα-helixtrans-69.8-33.8179.5-62.8-58-175.100110.7P63 P89 Q95 M96 F97 I155 A240 L244 F279 A280P63-M93 HydrophobicContact CB-CB 3.9Å; P63-M93 HydrophobicContact CG-CB 4.05Å; P89-M93 WeakPolarHBondContact O-CB 3.48Å; P89-M93 WeakPolarHBondContact O-CG 3.16Å; P89-M93 PolarHBondContact O-N 3.01Å; M93-Q95 VanDerWaalsContact C-N 3.31Å; M93-Q95 PolarHBondContact O-N 2.67Å; M93-M96 WeakPolarHBondContact O-CA 3.25Å; M93-M96 WeakPolarHBondContact O-CB 3.43Å; M93-M96 PolarHBondContact O-N 3.5Å; M93-F97 VanDerWaalsContact O-CD2 3.31Å; M93-F97 WeakPolarHBondContact O-CD2 3.37Å; M93-F97 PolarHBondContact O-N 2.76Å; M93-I155 HydrophobicContact CE-CG2 4.3Å; M93-I155 HydrophobicContact CG-CG2 3.92Å; M93-A240 HydrophobicContact CB-CB 4.2Å; M93-A240 HydrophobicContact SD-CB 3.9Å; M93-L244 HydrophobicContact CE-CD1 4.32Å; M93-F279 HydrophobicContact CE-CB 3.82Å; M93-F279 HydrophobicContact SD-CB 4.24Å; M93-A280 HydrophobicContact CE-CB 4.09Å
94G98.3Very high97.7Very high0 Ų011.9 Ų11.90%05%0.053CC..Hα-helixtrans-59.2-41.4174.500000112.3P63 V90 Y91 R92 M96 F97 M98P63-G94 WeakPolarHBondContact O-CA 3.45Å; V90-G94 VanDerWaalsContact O-CA 3.27Å; V90-G94 WeakPolarHBondContact O-CA 3.09Å; V90-G94 PolarHBondContact O-N 3.28Å; Y91-G94 PolarHBondContact O-N 3.05Å; R92-G94 VanDerWaalsContact C-N 3.31Å; G94-M96 VanDerWaalsContact C-N 3.28Å; G94-M96 PolarHBondContact O-N 2.76Å; G94-F97 PolarHBondContact O-N 3.28Å; G94-M98 WeakPolarHBondContact O-CG 3.45Å; G94-M98 PolarHBondContact O-N 3.27Å
95Q97.9Very high97.5Very high18 Ų1812.5 Ų12.58%0.0846%0.055CC..Hα-helixtrans-56.5-45.6172.9-69.5179.4-70.900110.7Y91 R92 M93 F97 M98 Y99 F123Y91-Q95 WeakPolarHBondContact O-CG 3.26Å; Y91-Q95 PolarHBondContact O-N 3.41Å; R92-Q95 WeakPolarHBondContact O-CB 3Å; R92-Q95 PolarHBondContact O-N 2.77Å; M93-Q95 VanDerWaalsContact C-N 3.31Å; M93-Q95 PolarHBondContact O-N 2.67Å; Q95-F97 PolarHBondContact O-N 2.99Å; Q95-M98 PolarHBondContact O-N 3.06Å; Q95-Y99 HydrophobicContact CB-CD2 4.45Å; Q95-Y99 HydrophobicContact CB-CE2 3.99Å; Q95-Y99 WeakPolarHBondContact O-CB 3.35Å; Q95-Y99 WeakPolarHBondContact O-CD2 3.4Å; Q95-Y99 PolarHBondContact O-N 3.49Å; Q95-F123 HydrophobicContact CB-CD2 4.37Å; Q95-F123 HydrophobicContact CB-CE2 4.22Å; Q95-F123 HydrophobicContact CB-CZ 4.48Å; Q95-F123 HydrophobicContact CG-CB 4.18Å; Q95-F123 HydrophobicContact CG-CD1 3.77Å; Q95-F123 HydrophobicContact CG-CD2 3.48Å; Q95-F123 VanDerWaalsContact CG-CD2 3.48Å; Q95-F123 HydrophobicContact CG-CE1 4Å; Q95-F123 HydrophobicContact CG-CE2 3.71Å; Q95-F123 HydrophobicContact CG-CG 3.52Å; Q95-F123 HydrophobicContact CG-CZ 3.98Å
96M97.7Very high97.2Very high5 Ų516 Ų163%0.0257%0.07CC..Hα-helixtrans-63.4-43.4179.5-59.3-579700112.1R92 M93 G94 M98 Y99 D100 A240 V272 N275 V276 F279R92-M96 PolarHBondContact O-N 2.82Å; M93-M96 WeakPolarHBondContact O-CA 3.25Å; M93-M96 WeakPolarHBondContact O-CB 3.43Å; M93-M96 PolarHBondContact O-N 3.5Å; G94-M96 VanDerWaalsContact C-N 3.28Å; G94-M96 PolarHBondContact O-N 2.76Å; M96-M98 VanDerWaalsContact C-N 3.33Å; M96-M98 PolarHBondContact O-N 3.3Å; M96-Y99 HydrophobicContact CE-CD2 3.57Å; M96-Y99 HydrophobicContact CE-CE2 3.74Å; M96-D100 VanDerWaalsContact O-CB 3.24Å; M96-D100 WeakPolarHBondContact O-CB 3.24Å; M96-D100 PolarHBondContact O-N 3.49Å; M96-A240 HydrophobicContact CB-CB 4.25Å; M96-V272 HydrophobicContact CB-CG2 3.95Å; M96-V272 HydrophobicContact SD-CB 3.97Å; M96-V272 HydrophobicContact SD-CG1 4.47Å; M96-V272 HydrophobicContact SD-CG2 4.08Å; M96-N275 HydrophobicContact SD-CB 3.48Å; M96-N275 WeakPolarHBondContact SD-CB 3.44Å; M96-V276 HydrophobicContact CB-CG2 3.88Å; M96-V276 HydrophobicContact CG-CG2 4Å; M96-F279 HydrophobicContact CE-CE2 3.72Å; M96-F279 HydrophobicContact CG-CD2 3.97Å; M96-F279 HydrophobicContact CG-CE2 4.1Å; M96-F279 HydrophobicContact SD-CD2 4.08Å; M96-F279 HydrophobicContact SD-CE2 3.7Å
97F98.2Very high96.9Very high0 Ų018.6 Ų18.60%08%0.084CC..Hα-helixtrans-58.3-44.4174.6-89.5-82.5000112P63 D64 Q65 M93 G94 Q95 W101 D238 A240P63-F97 HydrophobicContact CB-CD2 3.93Å; P63-F97 HydrophobicContact CB-CE2 4.14Å; P63-F97 HydrophobicContact CG-CD2 4.17Å; P63-F97 HydrophobicContact CG-CE2 3.85Å; P63-F97 WeakPolarHBondContact O-CB 3.33Å; P63-F97 VanDerWaalsContact O-CD2 3.28Å; P63-F97 WeakPolarHBondContact O-CD2 3.39Å; P63-F97 WeakPolarHBondContact O-CG 3.3Å; D64-F97 HydrophobicContact CB-CD1 4.2Å; D64-F97 HydrophobicContact CB-CE1 3.75Å; D64-F97 HydrophobicContact CB-CE2 4.41Å; D64-F97 HydrophobicContact CB-CZ 3.87Å; Q65-F97 PolarHBondContact NE2-O 3.39Å; M93-F97 VanDerWaalsContact O-CD2 3.31Å; M93-F97 WeakPolarHBondContact O-CD2 3.37Å; M93-F97 PolarHBondContact O-N 2.76Å; G94-F97 PolarHBondContact O-N 3.28Å; Q95-F97 PolarHBondContact O-N 2.99Å; F97-W101 WeakPolarHBondContact O-CB 3.32Å; F97-W101 PolarHBondContact O-N 3.38Å; F97-W101 VanDerWaalsContact O-N 3.1Å; F97-D238 HydrophobicContact CE1-CB 3.92Å; F97-D238 HydrophobicContact CZ-CB 4.07Å; F97-D238 WeakPolarHBondContact CZ-OD2 3.24Å; F97-A240 HydrophobicContact CD2-CB 3.91Å; F97-A240 HydrophobicContact CE2-CB 3.71Å; F97-A240 HydrophobicContact CZ-CB 4.46Å
98M97.9Very high96.5Very high0 Ų018.9 Ų18.90%09%0.086CC..Hα-helixtrans-73.4-40.9-178.3-65-56.497.600112.8Q65 I68 P72 G94 Q95 M96 W101 F102 V119 F123Q65-M98 HydrophobicContact CG-CE 3.9Å; I68-M98 HydrophobicContact CD1-CE 3.82Å; I68-M98 HydrophobicContact CD1-CG 3.82Å; I68-M98 HydrophobicContact CD1-SD 4.15Å; I68-M98 HydrophobicContact CG1-CE 3.59Å; I68-M98 HydrophobicContact CG1-CG 4.33Å; I68-M98 HydrophobicContact CG1-SD 4Å; P72-M98 HydrophobicContact CG-CG 4.42Å; P72-M98 HydrophobicContact CG-SD 4.19Å; G94-M98 WeakPolarHBondContact O-CG 3.45Å; G94-M98 PolarHBondContact O-N 3.27Å; Q95-M98 PolarHBondContact O-N 3.06Å; M96-M98 VanDerWaalsContact C-N 3.33Å; M96-M98 PolarHBondContact O-N 3.3Å; M98-W101 HydrophobicContact CE-CE3 4.03Å; M98-W101 PolarHBondContact O-N 2.95Å; M98-W101 HydrophobicContact SD-CE3 4.07Å; M98-W101 HydrophobicContact SD-CZ3 4.43Å; M98-F102 WeakPolarHBondContact O-CB 3.25Å; M98-F102 PolarHBondContact O-N 3.35Å; M98-V119 HydrophobicContact CB-CB 4.46Å; M98-V119 HydrophobicContact CB-CG1 3.57Å; M98-V119 HydrophobicContact CB-CG2 3.95Å; M98-V119 HydrophobicContact CG-CG1 4.3Å; M98-F123 HydrophobicContact CB-CE2 4.37Å; M98-F123 HydrophobicContact CG-CE2 4.02Å; M98-F123 HydrophobicContact CG-CZ 4.42Å
99Y97.6Very high96.2Very high22 Ų2218.4 Ų18.49%0.0868%0.082CC..Hα-helixtrans-64.9-45.5176.4-64.7-22.9000111.9Q95 M96 W101 F102 Q103 L116 V119 D120 L523Q95-Y99 HydrophobicContact CB-CD2 4.45Å; Q95-Y99 HydrophobicContact CB-CE2 3.99Å; Q95-Y99 WeakPolarHBondContact O-CB 3.35Å; Q95-Y99 WeakPolarHBondContact O-CD2 3.4Å; Q95-Y99 PolarHBondContact O-N 3.49Å; M96-Y99 HydrophobicContact CE-CD2 3.57Å; M96-Y99 HydrophobicContact CE-CE2 3.74Å; Y99-W101 VanDerWaalsContact C-N 3.27Å; Y99-W101 PolarHBondContact O-N 2.78Å; Y99-F102 PolarHBondContact O-N 3.32Å; Y99-Q103 VanDerWaalsContact O-CB 3.27Å; Y99-Q103 WeakPolarHBondContact O-CB 3.23Å; Y99-Q103 PolarHBondContact O-N 3.37Å; Y99-L116 HydrophobicContact CD1-CD2 3.58Å; Y99-L116 HydrophobicContact CE1-CD2 4.19Å; Y99-L116 HydrophobicContact CG-CD2 4.4Å; Y99-V119 HydrophobicContact CD1-CG1 3.87Å; Y99-V119 HydrophobicContact CE1-CB 4.26Å; Y99-V119 HydrophobicContact CE1-CG1 3.61Å; Y99-D120 WeakPolarHBondContact CE1-OD1 3.49Å; Y99-D120 VanDerWaalsContact CZ-OD1 3.31Å; Y99-D120 PolarHBondContact OH-OD1 3.33Å; Y99-L523 HydrophobicContact CE2-CD2 4.18Å
100D97.7Very high95.8Very high0 Ų023.8 Ų23.80%011%0.11CC..Hα-helixtrans-61.4-38.9176.4-169.740.2000111.3M96 S104 T239 C271 V272 S329 H330M96-D100 VanDerWaalsContact O-CB 3.24Å; M96-D100 WeakPolarHBondContact O-CB 3.24Å; M96-D100 PolarHBondContact O-N 3.49Å; D100-S104 WeakPolarHBondContact O-CB 3.32Å; D100-S104 PolarHBondContact O-N 2.79Å; D100-S104 PolarHBondContact O-OG 2.94Å; D100-T239 HydrophobicContact CB-CG2 3.57Å; D100-T239 VanDerWaalsContact OD2-CG2 3.24Å; D100-T239 WeakPolarHBondContact OD2-CG2 3.47Å; D100-T239 PolarHBondContact OD2-OG1 3.46Å; D100-C271 VanDerWaalsContact OD1-CB 3.32Å; D100-C271 WeakPolarHBondContact OD1-CB 3.1Å; D100-C271 PolarHBondContact OD1-N 3.24Å; D100-C271 PolarHBondContact OD1-SG 3.48Å; D100-V272 HydrophobicContact CB-CG2 4Å; D100-S329 WeakPolarHBondContact OD2-CB 2.86Å; D100-S329 PolarHBondContact OD2-OG 3.37Å; D100-H330 IonicContact OD2-NE2 2.68Å; D100-H330 PolarHBondContact OD2-NE2 2.67Å
101W96.9Very high95.5Very high1 Ų124.8 Ų24.80%0.00412%0.115CC..Hα-helixtrans-69.5-47.6179.7-162.232000113.1W36 F40 Q65 F97 M98 Y99 S104 Y105 F114 H330W36-W101 HydrophobicContact CB-CH2 4.25Å; F40-W101 HydrophobicContact CD1-CH2 4.32Å; F40-W101 HydrophobicContact CD1-CZ2 4.49Å; F40-W101 AromaticContact CE1-CH2 3.49Å; F40-W101 HydrophobicContact CE1-CH2 3.49Å; F40-W101 VanDerWaalsContact CE1-CH2 3.49Å; F40-W101 AromaticContact CE1-CZ2 3.52Å; F40-W101 HydrophobicContact CE1-CZ2 3.52Å; F40-W101 HydrophobicContact CE1-CZ3 4.17Å; F40-W101 HydrophobicContact CZ-CH2 4.13Å; F40-W101 AromaticContact CZ-CZ2 3.68Å; F40-W101 HydrophobicContact CZ-CZ2 3.68Å; Q65-W101 HydrophobicContact CB-CH2 4.38Å; Q65-W101 HydrophobicContact CB-CZ3 4.4Å; Q65-W101 HydrophobicContact CG-CD2 3.6Å; Q65-W101 HydrophobicContact CG-CE3 3.63Å; Q65-W101 HydrophobicContact CG-CG 4.17Å; Q65-W101 HydrophobicContact CG-CH2 4.13Å; Q65-W101 HydrophobicContact CG-CZ2 4.09Å; Q65-W101 HydrophobicContact CG-CZ3 3.9Å; F97-W101 WeakPolarHBondContact O-CB 3.32Å; F97-W101 PolarHBondContact O-N 3.38Å; F97-W101 VanDerWaalsContact O-N 3.1Å; M98-W101 HydrophobicContact CE-CE3 4.03Å; M98-W101 PolarHBondContact O-N 2.95Å; M98-W101 HydrophobicContact SD-CE3 4.07Å; M98-W101 HydrophobicContact SD-CZ3 4.43Å; Y99-W101 VanDerWaalsContact C-N 3.27Å; Y99-W101 PolarHBondContact O-N 2.78Å; W101-S104 PolarHBondContact O-N 3.11Å; W101-Y105 AromaticContact CD1-CD2 3.92Å; W101-Y105 AromaticContact CD1-CE2 3.72Å; W101-Y105 AromaticContact NE1-CE2 3.39Å; W101-Y105 WeakPolarHBondContact O-CD2 3.46Å; W101-Y105 PolarHBondContact O-N 3.2Å; W101-F114 HydrophobicContact CD2-CZ 4.48Å; W101-F114 HydrophobicContact CE3-CE1 4.18Å; W101-F114 AromaticContact CE3-CZ 3.83Å; W101-F114 HydrophobicContact CE3-CZ 3.83Å; W101-F114 HydrophobicContact CZ3-CE1 4.13Å; W101-F114 HydrophobicContact CZ3-CZ 4.22Å; W101-H330 AromaticContact CD1-CE1 3.44Å; W101-H330 VanDerWaalsContact CD1-CE1 3.44Å; W101-H330 AromaticContact CD1-ND1 3.65Å
102F96.7Very high95.2Very high16 Ų1627.6 Ų27.67%0.0714%0.139CC..Hα-helixtrans-57.9-51174173.6-94.3000111.1M98 Y99 S104 Y105 K106 F111 F114 L116M98-F102 WeakPolarHBondContact O-CB 3.25Å; M98-F102 PolarHBondContact O-N 3.35Å; Y99-F102 PolarHBondContact O-N 3.32Å; F102-S104 VanDerWaalsContact C-N 3.31Å; F102-S104 PolarHBondContact O-N 2.72Å; F102-Y105 PolarHBondContact O-N 3.37Å; F102-K106 HydrophobicContact CD1-CD 4.5Å; F102-K106 HydrophobicContact CE1-CB 4.26Å; F102-K106 HydrophobicContact CE1-CD 3.55Å; F102-K106 HydrophobicContact CE1-CG 4.48Å; F102-K106 HydrophobicContact CZ-CB 4.49Å; F102-K106 HydrophobicContact CZ-CD 3.88Å; F102-K106 WeakPolarHBondContact O-CB 3.47Å; F102-K106 PolarHBondContact O-N 3.15Å; F102-F111 AromaticContact CD2-CD1 3.75Å; F102-F111 HydrophobicContact CD2-CD1 3.75Å; F102-F111 AromaticContact CD2-CE1 3.95Å; F102-F111 HydrophobicContact CD2-CE1 3.95Å; F102-F111 AromaticContact CE2-CD1 3.91Å; F102-F111 HydrophobicContact CE2-CD1 3.91Å; F102-F111 HydrophobicContact CE2-CE1 4.47Å; F102-F114 HydrophobicContact CB-CE2 3.9Å; F102-F114 HydrophobicContact CB-CZ 4.47Å; F102-F114 HydrophobicContact CD2-CD2 4.28Å; F102-F114 HydrophobicContact CD2-CE2 4.17Å; F102-F114 WeakPolarHBondContact CD2-O 3.41Å; F102-F114 WeakPolarHBondContact CE2-O 3.24Å; F102-L116 HydrophobicContact CB-CD2 4.07Å; F102-L116 HydrophobicContact CD1-CD1 4.03Å; F102-L116 HydrophobicContact CD1-CD2 3.44Å; F102-L116 VanDerWaalsContact CD1-CD2 3.44Å; F102-L116 HydrophobicContact CD1-CG 3.48Å; F102-L116 VanDerWaalsContact CD1-CG 3.48Å; F102-L116 HydrophobicContact CE1-CD1 3.88Å; F102-L116 HydrophobicContact CE1-CD2 4.06Å; F102-L116 HydrophobicContact CE1-CG 3.53Å; F102-L116 HydrophobicContact CG-CD2 3.85Å; F102-L116 HydrophobicContact CG-CG 4.12Å; F102-L116 HydrophobicContact CZ-CG 4.24Å
103Q95.1Very high95.1Very high37 Ų3726.4 Ų26.417%0.17314%0.137CC..Hα-helixtrans-65-38.3-176.4-170.161.933.200111.4Y99 Y105 K106 N107 C271Y99-Q103 VanDerWaalsContact O-CB 3.27Å; Y99-Q103 WeakPolarHBondContact O-CB 3.23Å; Y99-Q103 PolarHBondContact O-N 3.37Å; Q103-Y105 VanDerWaalsContact C-N 3.32Å; Q103-Y105 PolarHBondContact O-N 2.91Å; Q103-K106 PolarHBondContact O-N 3.3Å; Q103-N107 PolarHBondContact NE2-OD1 2.6Å; Q103-N107 VanDerWaalsContact O-CB 3.26Å; Q103-N107 WeakPolarHBondContact O-CB 3.42Å; Q103-N107 PolarHBondContact O-N 2.69Å; Q103-N107 PolarHBondContact O-ND2 3.17Å; Q103-N107 PolarHBondContact O-OD1 3.22Å; Q103-C271 HydrophobicContact CB-CB 4.2Å; Q103-C271 HydrophobicContact CG-CB 4.14Å
104S95.4Very high94.9Very high3 Ų326.4 Ų26.42%0.02114%0.137CC..Hα-helixtrans-59.8-39.6175.4-76.90000113.1D100 W101 F102 M108 H330 G336D100-S104 WeakPolarHBondContact O-CB 3.32Å; D100-S104 PolarHBondContact O-N 2.79Å; D100-S104 PolarHBondContact O-OG 2.94Å; W101-S104 PolarHBondContact O-N 3.11Å; F102-S104 VanDerWaalsContact C-N 3.31Å; F102-S104 PolarHBondContact O-N 2.72Å; S104-M108 WeakPolarHBondContact O-CG 3.24Å; S104-H330 PolarHBondContact OG-NE2 3.33Å; S104-G336 WeakPolarHBondContact OG-CA 3.48Å
105Y94.9Very high94.8Very high13 Ų1328.9 Ų28.95%0.05115%0.153CC..Hα-helixtrans-73.8-46173.6-87.3-70.8000112.5S38 F40 W101 F102 Q103 N107 M108 E109 F111S38-Y105 PolarHBondContact O-OH 3.33Å; F40-Y105 HydrophobicContact CE2-CD1 4.45Å; F40-Y105 HydrophobicContact CE2-CD2 4.05Å; F40-Y105 AromaticContact CE2-CE1 3.98Å; F40-Y105 HydrophobicContact CE2-CE1 3.98Å; F40-Y105 AromaticContact CE2-CE2 3.47Å; F40-Y105 HydrophobicContact CE2-CE2 3.47Å; F40-Y105 VanDerWaalsContact CE2-CE2 3.47Å; F40-Y105 AromaticContact CE2-CZ 3.47Å; F40-Y105 VanDerWaalsContact CE2-CZ 3.47Å; F40-Y105 AromaticContact CZ-CD2 3.84Å; F40-Y105 HydrophobicContact CZ-CD2 3.84Å; F40-Y105 AromaticContact CZ-CE2 3.42Å; F40-Y105 HydrophobicContact CZ-CE2 3.42Å; F40-Y105 VanDerWaalsContact CZ-CE2 3.42Å; F40-Y105 AromaticContact CZ-CZ 3.94Å; W101-Y105 AromaticContact CD1-CD2 3.92Å; W101-Y105 AromaticContact CD1-CE2 3.72Å; W101-Y105 AromaticContact NE1-CE2 3.39Å; W101-Y105 WeakPolarHBondContact O-CD2 3.46Å; W101-Y105 PolarHBondContact O-N 3.2Å; F102-Y105 PolarHBondContact O-N 3.37Å; Q103-Y105 VanDerWaalsContact C-N 3.32Å; Q103-Y105 PolarHBondContact O-N 2.91Å; Y105-N107 PolarHBondContact O-N 3.12Å; Y105-M108 PolarHBondContact O-N 2.8Å; Y105-E109 HydrophobicContact CD1-CG 4.42Å; Y105-E109 WeakPolarHBondContact CD1-OE1 3.31Å; Y105-E109 PolarHBondContact O-N 3.31Å; Y105-F111 HydrophobicContact CD1-CD2 4.1Å; Y105-F111 HydrophobicContact CD1-CE2 4.33Å; Y105-F111 HydrophobicContact CD2-CD2 4.45Å; Y105-F111 HydrophobicContact CD2-CE2 4.12Å; Y105-F111 AromaticContact CG-CD2 3.78Å; Y105-F111 HydrophobicContact CG-CD2 3.78Å; Y105-F111 AromaticContact CG-CE2 3.9Å; Y105-F111 HydrophobicContact CG-CE2 3.9Å; Y105-F111 HydrophobicContact CG-CG 4.39Å
106K92.7Very high94.7Very high82 Ų8230.6 Ų30.636%0.35716%0.162SC..Hα-helixtrans-55.7-36.5177-175.7178175.2-171.40112.1F102 Q103 M108 E109 R389F102-K106 HydrophobicContact CD1-CD 4.5Å; F102-K106 HydrophobicContact CE1-CB 4.26Å; F102-K106 HydrophobicContact CE1-CD 3.55Å; F102-K106 HydrophobicContact CE1-CG 4.48Å; F102-K106 HydrophobicContact CZ-CB 4.49Å; F102-K106 HydrophobicContact CZ-CD 3.88Å; F102-K106 WeakPolarHBondContact O-CB 3.47Å; F102-K106 PolarHBondContact O-N 3.15Å; Q103-K106 PolarHBondContact O-N 3.3Å; K106-M108 PolarHBondContact O-N 2.76Å; K106-E109 CarbonylContact C-O 3.57Å; K106-E109 VanDerWaalsContact O-O 3.1Å; K106-R389 PolarHBondContact O-NE 2.93Å; K106-R389 PolarHBondContact O-NH2 2.78Å; K106-R389 VanDerWaalsContact O-NH2 3.15Å
107N91.9Very high94.6Very high56 Ų5635.4 Ų35.430%0.29919%0.188SC..THydrogen-bonded Turntrans-68.6-17.9176.5-73.7-14.6000113.8Q103 Y105 R389Q103-N107 PolarHBondContact NE2-OD1 2.6Å; Q103-N107 VanDerWaalsContact O-CB 3.26Å; Q103-N107 WeakPolarHBondContact O-CB 3.42Å; Q103-N107 PolarHBondContact O-N 2.69Å; Q103-N107 PolarHBondContact O-ND2 3.17Å; Q103-N107 PolarHBondContact O-OD1 3.22Å; Y105-N107 PolarHBondContact O-N 3.12Å; N107-R389 WeakPolarHBondContact O-CB 3.47Å
108M90.1Very high94.5Very high6 Ų636 Ų363%0.0319%0.191CC..THydrogen-bonded Turntrans-109.3-35.2-176.7-66.1-178.117800113S104 Y105 K106 G336 R339 Q340 K387 R388S104-M108 WeakPolarHBondContact O-CG 3.24Å; Y105-M108 PolarHBondContact O-N 2.8Å; K106-M108 PolarHBondContact O-N 2.76Å; M108-G336 VanDerWaalsContact CE-O 3.23Å; M108-G336 WeakPolarHBondContact CE-O 3.25Å; M108-R339 HydrophobicContact CE-CB 4.5Å; M108-Q340 HydrophobicContact CE-CG 3.57Å; M108-K387 HydrophobicContact CB-CB 4.4Å; M108-R388 CarbonylContact O-C 3.54Å; M108-R388 PolarHBondContact O-N 3.18Å
109E91.1Very high94.5Very high25 Ų2536 Ų3612%0.11719%0.191CC..SBendtrans-147.4170.4-17566.4-178.5178.100112.6Y105 K106 F111 K387 R389 C536Y105-E109 HydrophobicContact CD1-CG 4.42Å; Y105-E109 WeakPolarHBondContact CD1-OE1 3.31Å; Y105-E109 PolarHBondContact O-N 3.31Å; K106-E109 CarbonylContact C-O 3.57Å; K106-E109 VanDerWaalsContact O-O 3.1Å; E109-F111 VanDerWaalsContact C-N 3.26Å; E109-F111 PolarHBondContact O-N 2.86Å; E109-K387 HydrophobicContact CB-CD 4.29Å; E109-K387 IonicContact OE1-NZ 2.77Å; E109-K387 WeakPolarHBondContact OE2-CD 3.17Å; E109-K387 WeakPolarHBondContact OE2-CE 3.21Å; E109-K387 IonicContact OE2-NZ 2.67Å; E109-K387 PolarHBondContact OE2-NZ 2.65Å; E109-R389 VanDerWaalsContact C-NH2 3.33Å; E109-R389 PolarHBondContact O-NH2 2.82Å; E109-C536 VanDerWaalsContact C-SG 3.54Å; E109-C536 WeakPolarHBondContact CA-SG 3.41Å
110D90.2Very high94.5Very high113 Ų11337.3 Ų37.360%0.60420%0.199SC*.  trans-77.881.2171.5-61.8-40.3000109.3R389D110-R389 IonicContact OD1-CZ 3.58Å; D110-R389 IonicContact OD1-NH1 3.8Å; D110-R389 PolarHBondContact OD1-NH1 2.87Å; D110-R389 IonicContact OD1-NH2 3.52Å; D110-R389 PolarHBondContact OD1-NH2 3.37Å
111F92.7Very high94.4Very high22 Ų2241.3 Ų41.310%0.09622%0.218CC..  trans-78.4119.6-176.6-172.6-102.9000111.6F40 F102 Y105 E109 I113 F114F40-F111 HydrophobicContact CD2-CE2 4.26Å; F40-F111 HydrophobicContact CE1-CE2 4.24Å; F40-F111 HydrophobicContact CE1-CZ 4Å; F40-F111 AromaticContact CE2-CE2 3.54Å; F40-F111 HydrophobicContact CE2-CE2 3.54Å; F40-F111 HydrophobicContact CE2-CZ 4.13Å; F40-F111 AromaticContact CZ-CE2 3.52Å; F40-F111 HydrophobicContact CZ-CE2 3.52Å; F40-F111 AromaticContact CZ-CZ 3.62Å; F40-F111 HydrophobicContact CZ-CZ 3.62Å; F102-F111 AromaticContact CD2-CD1 3.75Å; F102-F111 HydrophobicContact CD2-CD1 3.75Å; F102-F111 AromaticContact CD2-CE1 3.95Å; F102-F111 HydrophobicContact CD2-CE1 3.95Å; F102-F111 AromaticContact CE2-CD1 3.91Å; F102-F111 HydrophobicContact CE2-CD1 3.91Å; F102-F111 HydrophobicContact CE2-CE1 4.47Å; Y105-F111 HydrophobicContact CD1-CD2 4.1Å; Y105-F111 HydrophobicContact CD1-CE2 4.33Å; Y105-F111 HydrophobicContact CD2-CD2 4.45Å; Y105-F111 HydrophobicContact CD2-CE2 4.12Å; Y105-F111 AromaticContact CG-CD2 3.78Å; Y105-F111 HydrophobicContact CG-CD2 3.78Å; Y105-F111 AromaticContact CG-CE2 3.9Å; Y105-F111 HydrophobicContact CG-CE2 3.9Å; Y105-F111 HydrophobicContact CG-CG 4.39Å; E109-F111 VanDerWaalsContact C-N 3.26Å; E109-F111 PolarHBondContact O-N 2.86Å; F111-I113 HydrophobicContact CD2-CD1 4.33Å; F111-I113 HydrophobicContact CE1-CB 4.19Å; F111-I113 HydrophobicContact CE2-CB 3.88Å; F111-I113 HydrophobicContact CE2-CD1 3.66Å; F111-I113 HydrophobicContact CE2-CG1 4.1Å; F111-I113 HydrophobicContact CZ-CB 3.66Å; F111-I113 HydrophobicContact CZ-CD1 4.26Å; F111-I113 HydrophobicContact CZ-CG1 4.39Å; F111-I113 HydrophobicContact CZ-CG2 4.37Å; F111-F114 AromaticContact CE1-CD1 3.81Å; F111-F114 HydrophobicContact CE1-CD1 3.81Å; F111-F114 HydrophobicContact CE1-CD2 4.36Å; F111-F114 AromaticContact CE1-CE1 3.71Å; F111-F114 HydrophobicContact CE1-CE1 3.71Å; F111-F114 HydrophobicContact CE1-CE2 4.28Å; F111-F114 HydrophobicContact CE1-CG 4.13Å; F111-F114 AromaticContact CE1-CZ 3.95Å; F111-F114 HydrophobicContact CE1-CZ 3.95Å; F111-F114 WeakPolarHBondContact CE1-O 3.45Å; F111-F114 AromaticContact CZ-CD1 3.81Å; F111-F114 HydrophobicContact CZ-CD1 3.81Å; F111-F114 AromaticContact CZ-CE1 3.54Å; F111-F114 HydrophobicContact CZ-CE1 3.54Å; F111-F114 HydrophobicContact CZ-CZ 4.1Å
112S91.1Very high94.5Very high91 Ų9141.3 Ų41.364%0.63622%0.218SC*.  trans-128.110-176.568.70000113.8K77K77-S112 PolarHBondContact NZ-O 2.88Å
113I94.2Very high94.5Very high45 Ų4540.7 Ų40.723%0.23122%0.215CC..SBendtrans-69.6-46.6-175.2-69.2166.7000110.4W36 F40 Y73 K77 F111W36-I113 HydrophobicContact CH2-CG2 3.23Å; W36-I113 HydrophobicContact CZ2-CG2 4.32Å; W36-I113 HydrophobicContact CZ3-CG2 3.57Å; F40-I113 HydrophobicContact CB-CD1 3.69Å; F40-I113 HydrophobicContact CD1-CD1 4.15Å; F40-I113 HydrophobicContact CD1-CG2 4.22Å; F40-I113 HydrophobicContact CD2-CD1 3.49Å; F40-I113 VanDerWaalsContact CD2-CD1 3.49Å; F40-I113 HydrophobicContact CE2-CD1 4.1Å; F40-I113 HydrophobicContact CG-CD1 3.51Å; Y73-I113 HydrophobicContact CD2-CG2 3.93Å; Y73-I113 WeakPolarHBondContact CD2-O 3.42Å; Y73-I113 HydrophobicContact CE2-CG2 4.28Å; Y73-I113 WeakPolarHBondContact CE2-O 3.28Å; K77-I113 WeakPolarHBondContact CE-O 3.39Å; K77-I113 PolarHBondContact NZ-O 2.83Å; F111-I113 HydrophobicContact CD2-CD1 4.33Å; F111-I113 HydrophobicContact CE1-CB 4.19Å; F111-I113 HydrophobicContact CE2-CB 3.88Å; F111-I113 HydrophobicContact CE2-CD1 3.66Å; F111-I113 HydrophobicContact CE2-CG1 4.1Å; F111-I113 HydrophobicContact CZ-CB 3.66Å; F111-I113 HydrophobicContact CZ-CD1 4.26Å; F111-I113 HydrophobicContact CZ-CG1 4.39Å; F111-I113 HydrophobicContact CZ-CG2 4.37Å
114F95.6Very high94.6Very high0 Ų046.4 Ų46.40%024%0.242CC..SBendtrans-143.8159.1167.662.5-93.9000109.2W36 F40 P72 W101 F102 F111 D118 V119W36-F114 HydrophobicContact CZ3-CD1 4.29Å; F40-F114 AromaticContact CE1-CE1 3.99Å; F40-F114 HydrophobicContact CE1-CE1 3.99Å; P72-F114 HydrophobicContact CB-CB 4.25Å; P72-F114 HydrophobicContact CB-CD2 4.07Å; P72-F114 HydrophobicContact CB-CG 4.19Å; W101-F114 HydrophobicContact CD2-CZ 4.48Å; W101-F114 HydrophobicContact CE3-CE1 4.18Å; W101-F114 AromaticContact CE3-CZ 3.83Å; W101-F114 HydrophobicContact CE3-CZ 3.83Å; W101-F114 HydrophobicContact CZ3-CE1 4.13Å; W101-F114 HydrophobicContact CZ3-CZ 4.22Å; F102-F114 HydrophobicContact CB-CE2 3.9Å; F102-F114 HydrophobicContact CB-CZ 4.47Å; F102-F114 HydrophobicContact CD2-CD2 4.28Å; F102-F114 HydrophobicContact CD2-CE2 4.17Å; F102-F114 WeakPolarHBondContact CD2-O 3.41Å; F102-F114 WeakPolarHBondContact CE2-O 3.24Å; F111-F114 AromaticContact CE1-CD1 3.81Å; F111-F114 HydrophobicContact CE1-CD1 3.81Å; F111-F114 HydrophobicContact CE1-CD2 4.36Å; F111-F114 AromaticContact CE1-CE1 3.71Å; F111-F114 HydrophobicContact CE1-CE1 3.71Å; F111-F114 HydrophobicContact CE1-CE2 4.28Å; F111-F114 HydrophobicContact CE1-CG 4.13Å; F111-F114 AromaticContact CE1-CZ 3.95Å; F111-F114 HydrophobicContact CE1-CZ 3.95Å; F111-F114 WeakPolarHBondContact CE1-O 3.45Å; F111-F114 AromaticContact CZ-CD1 3.81Å; F111-F114 HydrophobicContact CZ-CD1 3.81Å; F111-F114 AromaticContact CZ-CE1 3.54Å; F111-F114 HydrophobicContact CZ-CE1 3.54Å; F111-F114 HydrophobicContact CZ-CZ 4.1Å; F114-D118 VanDerWaalsContact CA-OD2 3.27Å; F114-D118 WeakPolarHBondContact CA-OD2 3.41Å; F114-D118 HydrophobicContact CB-CB 4.24Å; F114-V119 HydrophobicContact CD2-CG2 3.87Å; F114-V119 HydrophobicContact CE2-CG2 3.87Å
115T95.3Very high94.7Very high52 Ų5249.7 Ų49.732%0.31926%0.256SS..  trans-107.7173.3179.3660000112D117 D118 V119T115-D117 VanDerWaalsContact C-N 3.29Å; T115-D117 PolarHBondContact OG1-N 2.91Å; T115-D118 PolarHBondContact N-OD2 3.2Å; T115-D118 WeakPolarHBondContact O-CB 3.48Å; T115-D118 PolarHBondContact O-N 2.87Å; T115-D118 PolarHBondContact OG1-N 3.29Å; T115-D118 VanDerWaalsContact OG1-N 3.17Å; T115-D118 PolarHBondContact OG1-OD2 2.91Å; T115-V119 WeakPolarHBondContact O-CG2 3.38Å; T115-V119 PolarHBondContact O-N 2.85Å
116L95.1Very high94.8Very high53 Ų5349.7 Ų49.728%0.27726%0.257SS..Hα-helixtrans-64.5-35.6169.9-68174.7000111.7Y99 F102 D118 V119 D120Y99-L116 HydrophobicContact CD1-CD2 3.58Å; Y99-L116 HydrophobicContact CE1-CD2 4.19Å; Y99-L116 HydrophobicContact CG-CD2 4.4Å; F102-L116 HydrophobicContact CB-CD2 4.07Å; F102-L116 HydrophobicContact CD1-CD1 4.03Å; F102-L116 HydrophobicContact CD1-CD2 3.44Å; F102-L116 VanDerWaalsContact CD1-CD2 3.44Å; F102-L116 HydrophobicContact CD1-CG 3.48Å; F102-L116 VanDerWaalsContact CD1-CG 3.48Å; F102-L116 HydrophobicContact CE1-CD1 3.88Å; F102-L116 HydrophobicContact CE1-CD2 4.06Å; F102-L116 HydrophobicContact CE1-CG 3.53Å; F102-L116 HydrophobicContact CG-CD2 3.85Å; F102-L116 HydrophobicContact CG-CG 4.12Å; F102-L116 HydrophobicContact CZ-CG 4.24Å; L116-D118 VanDerWaalsContact C-N 3.28Å; L116-D118 PolarHBondContact O-N 3.06Å; L116-V119 WeakPolarHBondContact O-CA 3.23Å; L116-V119 WeakPolarHBondContact O-CB 3.2Å; L116-V119 PolarHBondContact O-N 3.44Å; L116-D120 PolarHBondContact O-N 3.06Å
117D96Very high95.1Very high106 Ų10649.7 Ų49.757%0.56726%0.259SS*.Hα-helixtrans-62-37.5174.9-52.9-37.3000111.5T115 V119 D120 Q121T115-D117 VanDerWaalsContact C-N 3.29Å; T115-D117 PolarHBondContact OG1-N 2.91Å; D117-V119 VanDerWaalsContact C-N 3.3Å; D117-V119 PolarHBondContact O-N 3.07Å; D117-D120 PolarHBondContact O-N 2.87Å; D117-Q121 WeakPolarHBondContact O-CB 3.13Å; D117-Q121 WeakPolarHBondContact O-CG 3.36Å; D117-Q121 PolarHBondContact O-N 2.85Å; D117-Q121 PolarHBondContact O-NE2 3.19Å
118D97Very high95.4Very high14 Ų1450.9 Ų50.98%0.07526%0.263CS..Hα-helixtrans-63.4-37.7174.3-66.2-30.1000111.3P72 G76 F114 T115 L116 M122P72-D118 HydrophobicContact CB-CB 4.22Å; G76-D118 WeakPolarHBondContact CA-OD1 3.44Å; F114-D118 VanDerWaalsContact CA-OD2 3.27Å; F114-D118 WeakPolarHBondContact CA-OD2 3.41Å; F114-D118 HydrophobicContact CB-CB 4.24Å; T115-D118 PolarHBondContact N-OD2 3.2Å; T115-D118 WeakPolarHBondContact O-CB 3.48Å; T115-D118 PolarHBondContact O-N 2.87Å; T115-D118 PolarHBondContact OG1-N 3.29Å; T115-D118 VanDerWaalsContact OG1-N 3.17Å; T115-D118 PolarHBondContact OG1-OD2 2.91Å; L116-D118 VanDerWaalsContact C-N 3.28Å; L116-D118 PolarHBondContact O-N 3.06Å; D118-M122 WeakPolarHBondContact O-CB 3.1Å; D118-M122 PolarHBondContact O-N 3.25Å; D118-M122 VanDerWaalsContact O-N 3.13Å
119V97.5Very high95.7Very high0 Ų050.8 Ų50.80%026%0.262CS..Hα-helixtrans-66.8-47.2176.41750000110.2P72 M98 Y99 F114 T115 L116 D117 M122 F123P72-V119 HydrophobicContact CB-CG2 3.93Å; P72-V119 HydrophobicContact CG-CG2 3.92Å; M98-V119 HydrophobicContact CB-CB 4.46Å; M98-V119 HydrophobicContact CB-CG1 3.57Å; M98-V119 HydrophobicContact CB-CG2 3.95Å; M98-V119 HydrophobicContact CG-CG1 4.3Å; Y99-V119 HydrophobicContact CD1-CG1 3.87Å; Y99-V119 HydrophobicContact CE1-CB 4.26Å; Y99-V119 HydrophobicContact CE1-CG1 3.61Å; F114-V119 HydrophobicContact CD2-CG2 3.87Å; F114-V119 HydrophobicContact CE2-CG2 3.87Å; T115-V119 WeakPolarHBondContact O-CG2 3.38Å; T115-V119 PolarHBondContact O-N 2.85Å; L116-V119 WeakPolarHBondContact O-CA 3.23Å; L116-V119 WeakPolarHBondContact O-CB 3.2Å; L116-V119 PolarHBondContact O-N 3.44Å; D117-V119 VanDerWaalsContact C-N 3.3Å; D117-V119 PolarHBondContact O-N 3.07Å; V119-M122 WeakPolarHBondContact O-CB 3.36Å; V119-M122 PolarHBondContact O-N 3.39Å; V119-F123 HydrophobicContact CG1-CD2 3.74Å; V119-F123 HydrophobicContact CG1-CE2 3.8Å; V119-F123 VanDerWaalsContact O-CD2 3.26Å; V119-F123 WeakPolarHBondContact O-CD2 3.41Å; V119-F123 PolarHBondContact O-N 3.34Å
120D96.8Very high96Very high49 Ų4955.4 Ų55.426%0.26228%0.282SS..Hα-helixtrans-64.4-46.9-179.1-69.4-20.4000111.4Y99 L116 D117 M122 F123 E124Y99-D120 WeakPolarHBondContact CE1-OD1 3.49Å; Y99-D120 VanDerWaalsContact CZ-OD1 3.31Å; Y99-D120 PolarHBondContact OH-OD1 3.33Å; L116-D120 PolarHBondContact O-N 3.06Å; D117-D120 PolarHBondContact O-N 2.87Å; D120-M122 PolarHBondContact O-N 3.26Å; D120-F123 PolarHBondContact O-N 3.39Å; D120-F123 VanDerWaalsContact O-N 3.1Å; D120-E124 WeakPolarHBondContact O-CG 3.41Å; D120-E124 PolarHBondContact O-N 3.41Å
121Q96.4Very high96.3Very high84 Ų8452.8 Ų52.839%0.39326%0.264SS..Hα-helixtrans-57.9-35.7174.3-74.8173.459.200112.8V75 D117V75-Q121 HydrophobicContact CG1-CB 4.17Å; D117-Q121 WeakPolarHBondContact O-CB 3.13Å; D117-Q121 WeakPolarHBondContact O-CG 3.36Å; D117-Q121 PolarHBondContact O-N 2.85Å; D117-Q121 PolarHBondContact O-NE2 3.19Å
122M97.8Very high96.4Very high0 Ų055.7 Ų55.70%029%0.287CS..Hα-helixtrans-65.9-48.6175-176.9-81.9-79.100111.1L71 P72 V75 I84 D118 V119 D120 E124 K125 V126L71-M122 HydrophobicContact CB-CE 4.15Å; L71-M122 HydrophobicContact CB-CG 3.6Å; L71-M122 HydrophobicContact CB-SD 4.08Å; L71-M122 HydrophobicContact CD1-SD 4.17Å; P72-M122 HydrophobicContact CG-CE 4.09Å; V75-M122 HydrophobicContact CB-CB 4.2Å; V75-M122 HydrophobicContact CG2-CB 4.05Å; V75-M122 HydrophobicContact CG2-CG 3.94Å; I84-M122 HydrophobicContact CD1-CG 3.98Å; I84-M122 HydrophobicContact CD1-SD 4.03Å; D118-M122 WeakPolarHBondContact O-CB 3.1Å; D118-M122 PolarHBondContact O-N 3.25Å; D118-M122 VanDerWaalsContact O-N 3.13Å; V119-M122 WeakPolarHBondContact O-CB 3.36Å; V119-M122 PolarHBondContact O-N 3.39Å; D120-M122 PolarHBondContact O-N 3.26Å; M122-E124 VanDerWaalsContact C-N 3.33Å; M122-E124 PolarHBondContact O-N 2.75Å; M122-K125 WeakPolarHBondContact O-CB 3.27Å; M122-K125 PolarHBondContact O-N 3.39Å; M122-K125 VanDerWaalsContact O-N 3.15Å; M122-V126 HydrophobicContact SD-CG2 4.33Å
123F97.9Very high96.6Very high4 Ų455.3 Ų55.32%0.01828%0.275CS..Hα-helixtrans-69.4-28.2-179.8-81-69000113.2I68 Y91 Q95 M98 V119 D120 K125 V126I68-F123 HydrophobicContact CD1-CZ 3.87Å; Y91-F123 HydrophobicContact CD2-CB 4.44Å; Y91-F123 AromaticContact CD2-CD1 3.59Å; Y91-F123 HydrophobicContact CD2-CD1 3.59Å; Y91-F123 HydrophobicContact CD2-CE1 4.37Å; Y91-F123 HydrophobicContact CD2-CG 4.45Å; Y91-F123 HydrophobicContact CE2-CB 3.81Å; Y91-F123 AromaticContact CE2-CD1 3.81Å; Y91-F123 HydrophobicContact CE2-CD1 3.81Å; Y91-F123 HydrophobicContact CE2-CG 4.24Å; Y91-F123 WeakPolarHBondContact CE2-O 3.36Å; Y91-F123 VanDerWaalsContact O-CE1 3.3Å; Y91-F123 WeakPolarHBondContact O-CE1 3.28Å; Q95-F123 HydrophobicContact CB-CD2 4.37Å; Q95-F123 HydrophobicContact CB-CE2 4.22Å; Q95-F123 HydrophobicContact CB-CZ 4.48Å; Q95-F123 HydrophobicContact CG-CB 4.18Å; Q95-F123 HydrophobicContact CG-CD1 3.77Å; Q95-F123 HydrophobicContact CG-CD2 3.48Å; Q95-F123 VanDerWaalsContact CG-CD2 3.48Å; Q95-F123 HydrophobicContact CG-CE1 4Å; Q95-F123 HydrophobicContact CG-CE2 3.71Å; Q95-F123 HydrophobicContact CG-CG 3.52Å; Q95-F123 HydrophobicContact CG-CZ 3.98Å; M98-F123 HydrophobicContact CB-CE2 4.37Å; M98-F123 HydrophobicContact CG-CE2 4.02Å; M98-F123 HydrophobicContact CG-CZ 4.42Å; V119-F123 HydrophobicContact CG1-CD2 3.74Å; V119-F123 HydrophobicContact CG1-CE2 3.8Å; V119-F123 VanDerWaalsContact O-CD2 3.26Å; V119-F123 WeakPolarHBondContact O-CD2 3.41Å; V119-F123 PolarHBondContact O-N 3.34Å; D120-F123 PolarHBondContact O-N 3.39Å; D120-F123 VanDerWaalsContact O-N 3.1Å; F123-K125 PolarHBondContact O-N 3.03Å; F123-V126 HydrophobicContact CD1-CG2 3.98Å; F123-V126 WeakPolarHBondContact O-CB 3.29Å; F123-V126 PolarHBondContact O-N 2.99Å
124E96.7Very high96.7Very high156 Ų15656.5 Ų56.573%0.72929%0.285SS*.Hα-helixtrans-59.7-28.2170.7-76.6176.3179.500113.1D120 M122 V126D120-E124 WeakPolarHBondContact O-CG 3.41Å; D120-E124 PolarHBondContact O-N 3.41Å; M122-E124 VanDerWaalsContact C-N 3.33Å; M122-E124 PolarHBondContact O-N 2.75Å; E124-V126 VanDerWaalsContact C-N 3.29Å
125K96.8Very high96.7Very high72 Ų7257.4 Ų57.431%0.31329%0.29SS..THydrogen-bonded Turntrans-82.1-5.5176.6-64.5-179.7-175.6-60.20113.6V75 L80 I84 M122 F123 Q127V75-K125 HydrophobicContact CG1-CD 3.99Å; V75-K125 HydrophobicContact CG2-CD 4.29Å; L80-K125 WeakPolarHBondContact O-CE 3.36Å; I84-K125 HydrophobicContact CD1-CB 4.21Å; I84-K125 HydrophobicContact CG1-CB 4.31Å; I84-K125 PolarHBondContact N-O 2.99Å; I84-K125 VanDerWaalsContact N-O 3.09Å; M122-K125 WeakPolarHBondContact O-CB 3.27Å; M122-K125 PolarHBondContact O-N 3.39Å; M122-K125 VanDerWaalsContact O-N 3.15Å; F123-K125 PolarHBondContact O-N 3.03Å; K125-Q127 PolarHBondContact O-N 3.05Å
126V98.3Very high96.7Very high14 Ų1457.9 Ų57.99%0.08530%0.296CS..EExtended strand (participates in β ladder)trans-80.8114.4-176.2-179.80000111.3I84 A86 Y91 M122 F123 E124 Q128I84-V126 HydrophobicContact CB-CG2 3.94Å; I84-V126 HydrophobicContact CD1-CG2 4.47Å; I84-V126 HydrophobicContact CG2-CG2 3.84Å; I84-V126 CarbonylContact O-C 3.58Å; I84-V126 VanDerWaalsContact O-CA 3.28Å; I84-V126 WeakPolarHBondContact O-CA 3.18Å; A86-V126 HydrophobicContact CB-CG1 3.69Å; Y91-V126 HydrophobicContact CD2-CB 3.74Å; Y91-V126 HydrophobicContact CD2-CG1 3.74Å; Y91-V126 HydrophobicContact CD2-CG2 4.29Å; Y91-V126 HydrophobicContact CE2-CB 4.2Å; Y91-V126 HydrophobicContact CG-CG1 4.41Å; M122-V126 HydrophobicContact SD-CG2 4.33Å; F123-V126 HydrophobicContact CD1-CG2 3.98Å; F123-V126 WeakPolarHBondContact O-CB 3.29Å; F123-V126 PolarHBondContact O-N 2.99Å; E124-V126 VanDerWaalsContact C-N 3.29Å; V126-Q128 PolarHBondContact O-N 2.86Å
127Q98Very high96.6Very high82 Ų8255.7 Ų55.738%0.38328%0.284SS..EExtended strand (participates in β ladder)trans-80.9109.7164.7-73.8178.768.200109.9I84 Y85 A86 K125I84-Q127 PolarHBondContact O-N 3.42Å; Y85-Q127 HydrophobicContact CD1-CB 3.75Å; Y85-Q127 HydrophobicContact CE1-CB 3.8Å; Y85-Q127 HydrophobicContact CE1-CG 4.3Å; Y85-Q127 PolarHBondContact OH-NE2 3.37Å; Y85-Q127 PolarHBondContact OH-OE1 3.46Å; A86-Q127 PolarHBondContact N-O 2.68Å; K125-Q127 PolarHBondContact O-N 3.05Å
128Q98.1Very high96.3Very high81 Ų8158.8 Ų58.838%0.37929%0.293SS..EExtended strand (participates in β ladder)trans-75130179.3-64.2172.855.900111.3A86 V88 Y91 V126A86-Q128 CarbonylContact O-C 3.5Å; A86-Q128 VanDerWaalsContact O-CA 3.29Å; A86-Q128 WeakPolarHBondContact O-CA 3.26Å; V88-Q128 HydrophobicContact CG2-CB 4.17Å; Y91-Q128 VanDerWaalsContact CD1-CD 3.47Å; Y91-Q128 HydrophobicContact CD1-CG 4.05Å; Y91-Q128 HydrophobicContact CD2-CG 4.28Å; Y91-Q128 HydrophobicContact CG-CG 3.84Å; V126-Q128 PolarHBondContact O-N 2.86Å
129V97.9Very high95.8Very high4 Ų461.2 Ų61.22%0.02432%0.321CS..EExtended strand (participates in β ladder)trans-123.3153-179.8-63.60000112.1Y85 A86 T87 V135 P148 W160Y85-V129 HydrophobicContact CD1-CG1 4.24Å; A86-V129 WeakPolarHBondContact O-CG2 3.16Å; A86-V129 PolarHBondContact O-N 2.88Å; T87-V129 VanDerWaalsContact CA-O 3.28Å; T87-V129 WeakPolarHBondContact CA-O 3.17Å; T87-V129 HydrophobicContact CG2-CG2 4.35Å; V129-V135 HydrophobicContact CG1-CG2 3.7Å; V129-P148 HydrophobicContact CB-CG 4.22Å; V129-P148 HydrophobicContact CG2-CB 4.2Å; V129-P148 HydrophobicContact CG2-CG 3.71Å; V129-W160 HydrophobicContact CG2-CH2 3.85Å; V129-W160 HydrophobicContact CG2-CZ3 4.43Å
130K97.3Very high95.3Very high121 Ų12167.4 Ų67.453%0.52635%0.345SS..  trans-95.3151.2173.6-65-172.1178.8-169.70111.1S132 Q133 P148 W286K130-S132 PolarHBondContact O-N 3.42Å; K130-Q133 HydrophobicContact CB-CB 4.24Å; K130-Q133 WeakPolarHBondContact O-CB 3.44Å; K130-Q133 PolarHBondContact O-N 3.1Å; K130-P148 WeakPolarHBondContact O-CG 3.37Å; K130-W286 HydrophobicContact CG-CZ2 4.4Å
131Y96.6Very high94.8Very high58 Ų5865.1 Ų65.123%0.22733%0.332CS..THydrogen-bonded Turntrans-53.2140.8171.5-71.9-41.8000111.6T87 Q133 P148 P150 G156 G157 W286T87-Y131 HydrophobicContact CG2-CD1 4.15Å; T87-Y131 HydrophobicContact CG2-CE1 3.95Å; Y131-Q133 PolarHBondContact O-N 3.03Å; Y131-Q133 VanDerWaalsContact O-N 3.07Å; Y131-P148 WeakPolarHBondContact CA-O 3.37Å; Y131-P148 HydrophobicContact CD1-CB 4.41Å; Y131-P150 HydrophobicContact CD2-CB 4.33Å; Y131-P150 HydrophobicContact CE1-CB 4.19Å; Y131-P150 HydrophobicContact CE2-CB 3.93Å; Y131-G156 WeakPolarHBondContact OH-CA 3.24Å; Y131-G156 PolarHBondContact OH-O 2.79Å; Y131-G157 PolarHBondContact OH-N 2.88Å; Y131-G157 PolarHBondContact OH-O 2.86Å; Y131-W286 AromaticContact CD1-CZ3 3.86Å; Y131-W286 HydrophobicContact CD1-CZ3 3.86Å; Y131-W286 AromaticContact CD2-CE3 3.46Å; Y131-W286 HydrophobicContact CD2-CE3 3.46Å; Y131-W286 VanDerWaalsContact CD2-CE3 3.46Å; Y131-W286 HydrophobicContact CD2-CH2 4.43Å; Y131-W286 AromaticContact CD2-CZ3 3.37Å; Y131-W286 HydrophobicContact CD2-CZ3 3.37Å; Y131-W286 HydrophobicContact CE1-CE3 4.38Å; Y131-W286 AromaticContact CE1-CZ3 3.87Å; Y131-W286 HydrophobicContact CE1-CZ3 3.87Å; Y131-W286 HydrophobicContact CE2-CD2 4.41Å; Y131-W286 AromaticContact CE2-CE3 3.21Å; Y131-W286 HydrophobicContact CE2-CE3 3.21Å; Y131-W286 AromaticContact CE2-CZ3 3.44Å; Y131-W286 HydrophobicContact CE2-CZ3 3.44Å; Y131-W286 VanDerWaalsContact CE2-CZ3 3.44Å; Y131-W286 HydrophobicContact CG-CE3 4.18Å; Y131-W286 HydrophobicContact CG-CH2 4.44Å; Y131-W286 AromaticContact CG-CZ3 3.6Å; Y131-W286 HydrophobicContact CG-CZ3 3.6Å; Y131-W286 AromaticContact CZ-CE3 3.7Å; Y131-W286 AromaticContact CZ-CZ3 3.66Å
132S94.8Very high94.3Very high84 Ų8468.9 Ų68.959%0.58735%0.349SS*.THydrogen-bonded Turntrans61.48.4-177.7-54.10000114.9K130 T134 P148K130-S132 PolarHBondContact O-N 3.42Å; S132-T134 PolarHBondContact O-N 3.44Å; S132-P148 PolarHBondContact N-O 2.69Å
133Q95.5Very high93.7Very high82 Ų8269.9 Ų69.938%0.38336%0.36SS..  trans-75.8121.3172.4-176.6-178.1-12.300109.9K130 Y131 V135 P148K130-Q133 HydrophobicContact CB-CB 4.24Å; K130-Q133 WeakPolarHBondContact O-CB 3.44Å; K130-Q133 PolarHBondContact O-N 3.1Å; Y131-Q133 PolarHBondContact O-N 3.03Å; Y131-Q133 VanDerWaalsContact O-N 3.07Å; Q133-V135 HydrophobicContact CG-CG2 4.24Å; Q133-V135 PolarHBondContact O-N 3.3Å; Q133-P148 WeakPolarHBondContact O-CD 3.39Å
134T95.7Very high93.5Very high70 Ų7070 Ų7043%0.42936%0.361SS..  trans-80.2118.5172.7-56.50000110.6S132 Q145 V147S132-T134 PolarHBondContact O-N 3.44Å; T134-Q145 HydrophobicContact CG2-CB 4.02Å; T134-Q145 HydrophobicContact CG2-CG 4.08Å; T134-Q145 VanDerWaalsContact CG2-OE1 3.29Å; T134-V147 HydrophobicContact CG2-CG2 4.27Å
135V96.3Very high93.4Very high19 Ų1964.3 Ų64.312%0.11533%0.334CS..EExtended strand (participates in β ladder)trans-110.4120.4175.5179.80000109.1Y85 V129 Q133 Q145 I146Y85-V135 HydrophobicContact CE1-CG1 3.93Å; V129-V135 HydrophobicContact CG1-CG2 3.7Å; Q133-V135 HydrophobicContact CG-CG2 4.24Å; Q133-V135 PolarHBondContact O-N 3.3Å; V135-Q145 CarbonylContact O-C 3.51Å; V135-Q145 VanDerWaalsContact O-CA 3.26Å; V135-Q145 WeakPolarHBondContact O-CA 3.41Å; V135-I146 HydrophobicContact CB-CD1 4.45Å; V135-I146 HydrophobicContact CB-CG1 3.84Å; V135-I146 HydrophobicContact CG1-CG1 4.36Å; V135-I146 PolarHBondContact N-O 2.8Å; V135-I146 PolarHBondContact O-N 3.27Å
136S94.9Very high93.5Very high63 Ų6360.9 Ų60.944%0.44132%0.319SS..EExtended strand (participates in β ladder)trans-86.9130173.5-600000110Q145S136-Q145 PolarHBondContact OG-NE2 2.96Å
137L93.4Very high93.4Very high7 Ų760.3 Ų60.34%0.03732%0.316CS..  trans-79158.7-177.6-59.6178.5000111.7F28 F30 Y85 G141 L144 I146F28-L137 HydrophobicContact CD1-CD1 4.34Å; F28-L137 HydrophobicContact CE1-CD1 3.72Å; F28-L137 HydrophobicContact CE2-CD1 4.49Å; F28-L137 HydrophobicContact CZ-CD1 3.78Å; F30-L137 HydrophobicContact CE1-CD1 3.43Å; F30-L137 VanDerWaalsContact CE1-CD1 3.43Å; F30-L137 HydrophobicContact CZ-CD1 3.3Å; Y85-L137 HydrophobicContact CE2-CD2 3.87Å; L137-G141 WeakPolarHBondContact CB-O 3.38Å; L137-L144 HydrophobicContact CB-CB 4.5Å; L137-L144 HydrophobicContact CD1-CB 3.92Å; L137-L144 HydrophobicContact CG-CB 4.46Å; L137-L144 PolarHBondContact N-O 3.4Å; L137-I146 HydrophobicContact CD1-CG2 4.12Å; L137-I146 HydrophobicContact CD2-CD1 4.02Å; L137-I146 HydrophobicContact CD2-CG1 4.27Å; L137-I146 HydrophobicContact CD2-CG2 4.48Å; L137-I146 HydrophobicContact CG-CG2 4.48Å
138K88.7Confident93.4Very high171 Ų17156.4 Ų56.474%0.74330%0.297SS*.  trans-109.6167.5-176-61.9179.6-177.9174.80110.8R140 G141K138-R140 PolarHBondContact O-N 3.19Å; K138-G141 PolarHBondContact O-N 2.87Å; K138-G141 VanDerWaalsContact O-N 3.17Å
139G87.7Confident93.4Very high65 Ų6552.8 Ų52.867%0.6728%0.281SS*.G310 helixtrans63.6-129.9176.900000111.8G141 H142G139-G141 PolarHBondContact O-N 2.66Å; G139-G141 VanDerWaalsContact O-N 3.1Å; G139-H142 WeakPolarHBondContact O-CB 3.4Å; G139-H142 PolarHBondContact O-N 2.9Å; G139-H142 VanDerWaalsContact O-N 3.12Å
140R85.8Confident93.3Very high130 Ų13054.1 Ų54.149%0.49129%0.289SS..G310 helixtrans-58.7-20.1176.7-65.2-169.4-71.4177.8-4.1113.6F28 H54 D56 K138 H142F28-R140 HydrophobicContact CD2-CB 4.07Å; H54-R140 PolarHBondContact O-NH2 3.44Å; H54-R140 VanDerWaalsContact O-NH2 3.17Å; D56-R140 IonicContact OD1-CZ 3.92Å; D56-R140 IonicContact OD1-NE 2.82Å; D56-R140 PolarHBondContact OD1-NE 2.85Å; D56-R140 IonicContact OD1-NH2 3.28Å; D56-R140 PolarHBondContact OD1-NH2 2.89Å; D56-R140 IonicContact OD2-CZ 3.93Å; D56-R140 IonicContact OD2-NE 3.74Å; D56-R140 IonicContact OD2-NH2 3.27Å; D56-R140 PolarHBondContact OD2-NH2 3.25Å; K138-R140 PolarHBondContact O-N 3.19Å; R140-H142 VanDerWaalsContact C-N 3.29Å; R140-H142 PolarHBondContact O-N 2.75Å
141G86.8Confident93.3Very high0 Ų048.3 Ų48.30%026%0.264CS..G310 helixtrans-86.910.1179.300000114L137 K138 G139 G143 L144L137-G141 WeakPolarHBondContact CB-O 3.38Å; K138-G141 PolarHBondContact O-N 2.87Å; K138-G141 VanDerWaalsContact O-N 3.17Å; G139-G141 PolarHBondContact O-N 2.66Å; G139-G141 VanDerWaalsContact O-N 3.1Å; G141-G143 PolarHBondContact O-N 2.87Å; G141-L144 VanDerWaalsContact O-CB 3.31Å; G141-L144 WeakPolarHBondContact O-CB 3.28Å; G141-L144 PolarHBondContact O-N 3.34Å
142H85.3Confident93.3Very high163 Ų16345.8 Ų45.876%0.75526%0.256SS*.THydrogen-bonded Turntrans-57.3128.2179.7-170.176.5000111.2G139 R140 L144G139-H142 WeakPolarHBondContact O-CB 3.4Å; G139-H142 PolarHBondContact O-N 2.9Å; G139-H142 VanDerWaalsContact O-N 3.12Å; R140-H142 VanDerWaalsContact C-N 3.29Å; R140-H142 PolarHBondContact O-N 2.75Å; H142-L144 VanDerWaalsContact C-N 3.34Å
143G85.8Confident93.4Very high22 Ų2242 Ų4223%0.22723%0.229CC..THydrogen-bonded Turntrans90.6-11.9-174.400000114.7G141 K164 M165G141-G143 PolarHBondContact O-N 2.87Å; G143-K164 WeakPolarHBondContact O-CA 3.49Å; G143-M165 PolarHBondContact O-N 3.49Å; G143-M165 VanDerWaalsContact O-N 3.09Å
144L93.3Very high93.5Very high7 Ų738.5 Ų38.54%0.03721%0.212CC..EExtended strand (participates in β ladder)trans-87.7143169.9-60.2179.3000111V25 F28 F30 L137 G141 H142 K164V25-L144 HydrophobicContact CB-CD1 4.18Å; V25-L144 HydrophobicContact CG1-CD1 4.2Å; V25-L144 HydrophobicContact CG1-CD2 3.74Å; F28-L144 HydrophobicContact CB-CD1 3.75Å; F28-L144 HydrophobicContact CD1-CD1 4.15Å; F28-L144 HydrophobicContact CG-CD1 3.98Å; F30-L144 HydrophobicContact CE2-CD1 4.11Å; F30-L144 HydrophobicContact CZ-CD1 4.24Å; L137-L144 HydrophobicContact CB-CB 4.5Å; L137-L144 HydrophobicContact CD1-CB 3.92Å; L137-L144 HydrophobicContact CG-CB 4.46Å; L137-L144 PolarHBondContact N-O 3.4Å; G141-L144 VanDerWaalsContact O-CB 3.31Å; G141-L144 WeakPolarHBondContact O-CB 3.28Å; G141-L144 PolarHBondContact O-N 3.34Å; H142-L144 VanDerWaalsContact C-N 3.34Å; L144-K164 HydrophobicContact CD2-CB 4.02Å; L144-K164 HydrophobicContact CD2-CD 4.41Å; L144-K164 HydrophobicContact CD2-CG 4.33Å
145Q95.5Very high93.5Very high36 Ų3635.1 Ų35.117%0.16819%0.192CC..EExtended strand (participates in β ladder)trans-129.5142.1176.2-62.4-172.9-27.700110.3T134 V135 S136 I162 S163 M165T134-Q145 HydrophobicContact CG2-CB 4.02Å; T134-Q145 HydrophobicContact CG2-CG 4.08Å; T134-Q145 VanDerWaalsContact CG2-OE1 3.29Å; V135-Q145 CarbonylContact O-C 3.51Å; V135-Q145 VanDerWaalsContact O-CA 3.26Å; V135-Q145 WeakPolarHBondContact O-CA 3.41Å; S136-Q145 PolarHBondContact OG-NE2 2.96Å; Q145-I162 CarbonylContact O-C 3.51Å; Q145-I162 WeakPolarHBondContact O-CA 3.26Å; Q145-S163 PolarHBondContact N-O 3.22Å; Q145-S163 PolarHBondContact O-N 3.25Å; Q145-M165 VanDerWaalsContact CD-SD 3.59Å; Q145-M165 HydrophobicContact CG-CE 4.09Å; Q145-M165 HydrophobicContact CG-SD 4.26Å; Q145-M165 PolarHBondContact NE2-SD 3.1Å
146I97.3Very high93.5Very high0 Ų034.3 Ų34.30%019%0.187CC..EExtended strand (participates in β ladder)trans-117140.7171.763176.7000109.6F30 L59 Y85 V135 L137 W160 R161 I162F30-I146 HydrophobicContact CE1-CG2 3.86Å; F30-I146 HydrophobicContact CZ-CG2 4.14Å; L59-I146 HydrophobicContact CD1-CG2 4.3Å; L59-I146 HydrophobicContact CD2-CD1 3.64Å; L59-I146 HydrophobicContact CD2-CG2 4.38Å; Y85-I146 HydrophobicContact CD1-CD1 3.75Å; Y85-I146 HydrophobicContact CD2-CD1 3.8Å; Y85-I146 HydrophobicContact CE1-CD1 4.19Å; Y85-I146 HydrophobicContact CE2-CD1 4.24Å; Y85-I146 HydrophobicContact CG-CD1 3.53Å; V135-I146 HydrophobicContact CB-CD1 4.45Å; V135-I146 HydrophobicContact CB-CG1 3.84Å; V135-I146 HydrophobicContact CG1-CG1 4.36Å; V135-I146 PolarHBondContact N-O 2.8Å; V135-I146 PolarHBondContact O-N 3.27Å; L137-I146 HydrophobicContact CD1-CG2 4.12Å; L137-I146 HydrophobicContact CD2-CD1 4.02Å; L137-I146 HydrophobicContact CD2-CG1 4.27Å; L137-I146 HydrophobicContact CD2-CG2 4.48Å; L137-I146 HydrophobicContact CG-CG2 4.48Å; I146-W160 HydrophobicContact CB-CE3 4.24Å; I146-W160 HydrophobicContact CB-CZ3 4.25Å; I146-W160 HydrophobicContact CD1-CZ3 3.86Å; I146-W160 HydrophobicContact CG1-CZ3 4.22Å; I146-R161 CarbonylContact C-O 3.52Å; I146-R161 WeakPolarHBondContact CA-O 3.36Å; I146-I162 HydrophobicContact CG2-CG1 4.22Å
147V96.9Very high93.7Very high1 Ų131.3 Ų31.31%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-134.9119.6176.3-171.50000109.4T134 L149 R161T134-V147 HydrophobicContact CG2-CG2 4.27Å; V147-L149 HydrophobicContact CG1-CD2 4.33Å; V147-R161 HydrophobicContact CB-CB 4.27Å; V147-R161 PolarHBondContact N-O 3.23Å; V147-R161 PolarHBondContact O-N 2.84Å
148P97.9Very high93.9Very high0 Ų031 Ų310%016%0.164CC..EExtended strand (participates in β ladder)trans-79.5129174.633.8-36.3000110.5T87 V129 K130 Y131 S132 Q133 T158 W160T87-P148 HydrophobicContact CG2-CB 4.05Å; V129-P148 HydrophobicContact CB-CG 4.22Å; V129-P148 HydrophobicContact CG2-CB 4.2Å; V129-P148 HydrophobicContact CG2-CG 3.71Å; K130-P148 WeakPolarHBondContact O-CG 3.37Å; Y131-P148 WeakPolarHBondContact CA-O 3.37Å; Y131-P148 HydrophobicContact CD1-CB 4.41Å; S132-P148 PolarHBondContact N-O 2.69Å; Q133-P148 WeakPolarHBondContact O-CD 3.39Å; P148-T158 VanDerWaalsContact CA-CG2 3.49Å; P148-T158 HydrophobicContact CB-CG2 3.32Å; P148-W160 HydrophobicContact CB-CE3 4.38Å; P148-W160 HydrophobicContact CB-CH2 4.23Å; P148-W160 HydrophobicContact CB-CZ3 4.03Å
149L97.2Very high94.3Very high5 Ų522.9 Ų22.93%0.02613%0.129CC..EExtended strand (participates in β ladder)trans-114.9150.8175.6-60.2176.7000109.8V147 A151 T158 I159 R161 I192V147-L149 HydrophobicContact CG1-CD2 4.33Å; L149-A151 PolarHBondContact O-N 2.96Å; L149-T158 CarbonylContact O-C 3.59Å; L149-T158 VanDerWaalsContact O-CA 3.3Å; L149-T158 WeakPolarHBondContact O-CA 3.5Å; L149-I159 HydrophobicContact CB-CB 4.15Å; L149-I159 PolarHBondContact N-O 2.9Å; L149-I159 PolarHBondContact O-N 3.48Å; L149-R161 HydrophobicContact CD1-CB 4.25Å; L149-I192 HydrophobicContact CD1-CD1 3.84Å; L149-I192 HydrophobicContact CD1-CG1 3.88Å
150P97.2Very high94.9Very high32 Ų3219.8 Ų19.821%0.20810%0.097CC..EExtended strand (participates in β ladder)trans-67.3127.2-178.326.7-34.2000111.9Y131 C187 S188Y131-P150 HydrophobicContact CD2-CB 4.33Å; Y131-P150 HydrophobicContact CE1-CB 4.19Å; Y131-P150 HydrophobicContact CE2-CB 3.93Å; P150-C187 WeakPolarHBondContact O-CA 3.4Å; P150-C187 VanDerWaalsContact O-CB 3.29Å; P150-C187 WeakPolarHBondContact O-CB 3.32Å; P150-S188 PolarHBondContact O-N 3.41Å
151A97.1Very high95.4Very high0 Ų016.4 Ų16.40%08%0.084CC..  trans-93.3-18.4177.100000114.1F62 L149 H153 G157 I159 F176 N177 C187F62-A151 HydrophobicContact CE1-CB 4Å; F62-A151 HydrophobicContact CZ-CB 3.61Å; L149-A151 PolarHBondContact O-N 2.96Å; A151-H153 VanDerWaalsContact C-N 3.27Å; A151-H153 PolarHBondContact O-N 3.41Å; A151-H153 VanDerWaalsContact O-N 3.17Å; A151-G157 VanDerWaalsContact CB-C 3.48Å; A151-G157 WeakPolarHBondContact CB-O 3.35Å; A151-G157 PolarHBondContact N-O 2.71Å; A151-I159 HydrophobicContact CB-CD1 4.49Å; A151-I159 HydrophobicContact CB-CG1 3.93Å; A151-F176 HydrophobicContact CB-CB 4.31Å; A151-F176 CarbonylContact O-C 3.52Å; A151-F176 WeakPolarHBondContact O-CA 3.08Å; A151-N177 PolarHBondContact O-N 3.47Å; A151-C187 WeakPolarHBondContact O-CB 3.38Å
152G96Very high95.8Very high5 Ų516.4 Ų16.45%0.0528%0.084CC..SBendtrans74.3-2.8171.800000117.4N185G152-N185 WeakPolarHBondContact CA-O 3.03Å
153H96.5Very high96.2Very high4 Ų49.4 Ų9.42%0.0195%0.054CC..SBendtrans-86.2-49.4-178.3166.963000113.4F62 A151 D175 N177 R242 E555 G556F62-H153 AromaticContact CD1-CD2 3.91Å; F62-H153 HydrophobicContact CE1-CB 3.61Å; F62-H153 AromaticContact CE1-CD2 3.62Å; F62-H153 AromaticContact CE1-CG 4Å; F62-H153 AromaticContact CE2-CD2 3.96Å; F62-H153 HydrophobicContact CZ-CB 3.62Å; F62-H153 AromaticContact CZ-CD2 3.66Å; A151-H153 VanDerWaalsContact C-N 3.27Å; A151-H153 PolarHBondContact O-N 3.41Å; A151-H153 VanDerWaalsContact O-N 3.17Å; H153-D175 WeakPolarHBondContact CB-O 3.28Å; H153-D175 VanDerWaalsContact CG-O 3.28Å; H153-N177 HydrophobicContact CB-CB 4.34Å; H153-R242 PolarHBondContact O-NH1 3.41Å; H153-E555 PolarHBondContact CE1-O 2.67Å; H153-E555 PolarHBondContact ND1-O 3.33Å; H153-G556 PolarHBondContact ND1-O 3.16Å
154M97.4Very high96.2Very high8 Ų810.9 Ų10.94%0.0395%0.054CC..SBendtrans-128.5163.1171.1-52.2-170.5-169.600110.5F62 P63 D64 G156 G157 L184 R242F62-M154 HydrophobicContact CD1-CB 3.91Å; F62-M154 HydrophobicContact CD1-CG 4.08Å; F62-M154 HydrophobicContact CE1-CB 4.37Å; P63-M154 HydrophobicContact CG-SD 4.22Å; D64-M154 HydrophobicContact CB-CE 3.99Å; D64-M154 HydrophobicContact CB-SD 4.31Å; M154-G156 PolarHBondContact O-N 3.09Å; M154-G157 PolarHBondContact O-N 3.22Å; M154-L184 VanDerWaalsContact C-CD1 3.41Å; M154-R242 HydrophobicContact CE-CG 4.44Å
155I96.6Very high95.3Very high0 Ų015.8 Ų15.80%08%0.078CC..THydrogen-bonded Turntrans-60.5131.3178.8-167.8173.2000110.8P89 M93 G157 L184 L244 Q283 W286 M287P89-I155 HydrophobicContact CB-CB 4.47Å; P89-I155 HydrophobicContact CB-CD1 4.49Å; P89-I155 HydrophobicContact CB-CG1 3.92Å; P89-I155 HydrophobicContact CB-CG2 4.19Å; P89-I155 HydrophobicContact CG-CG1 4.2Å; M93-I155 HydrophobicContact CE-CG2 4.3Å; M93-I155 HydrophobicContact CG-CG2 3.92Å; I155-G157 PolarHBondContact O-N 3.25Å; I155-L184 HydrophobicContact CB-CD2 4.23Å; I155-L184 HydrophobicContact CG1-CD2 4.39Å; I155-L244 HydrophobicContact CG2-CD1 4.06Å; I155-Q283 HydrophobicContact CD1-CB 3.89Å; I155-W286 HydrophobicContact CD1-CB 4.4Å; I155-W286 HydrophobicContact CG1-CB 4.07Å; I155-M287 HydrophobicContact CD1-CE 3.47Å; I155-M287 VanDerWaalsContact CD1-CE 3.47Å; I155-M287 HydrophobicContact CD1-CG 3.96Å
156G96.7Very high94.3Very high1 Ų118.5 Ų18.51%0.0112%0.116CC..THydrogen-bonded Turntrans71.2-2.9-172.800000115.5T87 V90 Y131 M154 T158T87-G156 WeakPolarHBondContact OG1-CA 3.38Å; T87-G156 PolarHBondContact OG1-O 2.93Å; V90-G156 VanDerWaalsContact CG2-O 3.3Å; V90-G156 WeakPolarHBondContact CG2-O 3.4Å; Y131-G156 WeakPolarHBondContact OH-CA 3.24Å; Y131-G156 PolarHBondContact OH-O 2.79Å; M154-G156 PolarHBondContact O-N 3.09Å; G156-T158 PolarHBondContact O-N 3.28Å; G156-T158 PolarHBondContact O-OG1 2.99Å
157G98Very high93.4Very high0 Ų021 Ų210%013%0.127CC..  trans-53.3133.6179.700000113.2T61 F62 Y131 A151 M154 I155T61-G157 CarbonylContact O-C 3.18Å; T61-G157 VanDerWaalsContact O-CA 3.3Å; T61-G157 WeakPolarHBondContact O-CA 3.29Å; F62-G157 VanDerWaalsContact CD1-CA 3.46Å; Y131-G157 PolarHBondContact OH-N 2.88Å; Y131-G157 PolarHBondContact OH-O 2.86Å; A151-G157 VanDerWaalsContact CB-C 3.48Å; A151-G157 WeakPolarHBondContact CB-O 3.35Å; A151-G157 PolarHBondContact N-O 2.71Å; M154-G157 PolarHBondContact O-N 3.22Å; I155-G157 PolarHBondContact O-N 3.25Å
158T98.2Very high92.6Very high0 Ų024.3 Ų24.30%014%0.143CC..EExtended strand (participates in β ladder)trans-125.3126.3-162-64.30000113.6T61 T87 P148 L149 G156 W160T61-T158 WeakPolarHBondContact CG2-O 3.46Å; T61-T158 PolarHBondContact O-N 3.09Å; T87-T158 WeakPolarHBondContact CG2-OG1 3.23Å; P148-T158 VanDerWaalsContact CA-CG2 3.49Å; P148-T158 HydrophobicContact CB-CG2 3.32Å; L149-T158 CarbonylContact O-C 3.59Å; L149-T158 VanDerWaalsContact O-CA 3.3Å; L149-T158 WeakPolarHBondContact O-CA 3.5Å; G156-T158 PolarHBondContact O-N 3.28Å; G156-T158 PolarHBondContact O-OG1 2.99Å; T158-W160 HydrophobicContact CG2-CD2 3.74Å; T158-W160 HydrophobicContact CG2-CE3 4.3Å; T158-W160 HydrophobicContact CG2-CG 4.02Å; T158-W160 HydrophobicContact CG2-CH2 4.5Å; T158-W160 HydrophobicContact CG2-CZ2 3.96Å
159I98.2Very high92.3Very high1 Ų125.7 Ų25.71%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-84.8126.3157.7-68.5166.7000107.2L149 A151 V171 A173 F176 C187 F189 I192L149-I159 HydrophobicContact CB-CB 4.15Å; L149-I159 PolarHBondContact N-O 2.9Å; L149-I159 PolarHBondContact O-N 3.48Å; A151-I159 HydrophobicContact CB-CD1 4.49Å; A151-I159 HydrophobicContact CB-CG1 3.93Å; I159-V171 HydrophobicContact CG2-CG1 3.73Å; I159-A173 HydrophobicContact CB-CB 4.43Å; I159-A173 HydrophobicContact CD1-CB 4.22Å; I159-A173 HydrophobicContact CG1-CB 3.93Å; I159-A173 HydrophobicContact CG2-CB 3.78Å; I159-F176 HydrophobicContact CD1-CB 4.11Å; I159-F176 HydrophobicContact CG1-CB 4.4Å; I159-C187 HydrophobicContact CD1-CB 4.01Å; I159-F189 HydrophobicContact CD1-CD2 4.1Å; I159-F189 HydrophobicContact CD1-CE2 3.5Å; I159-F189 VanDerWaalsContact CD1-CE2 3.5Å; I159-F189 HydrophobicContact CD1-CZ 3.87Å; I159-I192 HydrophobicContact CG2-CD1 4.15Å
160W98.3Very high92.3Very high0 Ų025.5 Ų25.50%015%0.148CC..EExtended strand (participates in β ladder)trans-93.8117.8-178.8-72.999.8000111L59 L60 Y85 V129 I146 P148 T158 V171 Y172L59-W160 HydrophobicContact CB-CD2 3.98Å; L59-W160 HydrophobicContact CB-CG 4.1Å; L59-W160 HydrophobicContact CB-CZ2 4.33Å; L59-W160 HydrophobicContact CD1-CB 4.16Å; L59-W160 HydrophobicContact CD1-CD2 4.03Å; L59-W160 HydrophobicContact CD1-CE3 4.19Å; L59-W160 HydrophobicContact CD1-CG 4.03Å; L59-W160 HydrophobicContact CD2-CD2 4.37Å; L59-W160 HydrophobicContact CD2-CE3 4.2Å; L59-W160 HydrophobicContact CD2-CH2 4.35Å; L59-W160 HydrophobicContact CD2-CZ3 4.2Å; L59-W160 HydrophobicContact CG-CD2 4.35Å; L60-W160 VanDerWaalsContact C-NE1 3.31Å; L60-W160 WeakPolarHBondContact O-CZ2 3.44Å; L60-W160 PolarHBondContact O-NE1 3.49Å; Y85-W160 WeakPolarHBondContact O-CZ2 3.41Å; V129-W160 HydrophobicContact CG2-CH2 3.85Å; V129-W160 HydrophobicContact CG2-CZ3 4.43Å; I146-W160 HydrophobicContact CB-CE3 4.24Å; I146-W160 HydrophobicContact CB-CZ3 4.25Å; I146-W160 HydrophobicContact CD1-CZ3 3.86Å; I146-W160 HydrophobicContact CG1-CZ3 4.22Å; P148-W160 HydrophobicContact CB-CE3 4.38Å; P148-W160 HydrophobicContact CB-CH2 4.23Å; P148-W160 HydrophobicContact CB-CZ3 4.03Å; T158-W160 HydrophobicContact CG2-CD2 3.74Å; T158-W160 HydrophobicContact CG2-CE3 4.3Å; T158-W160 HydrophobicContact CG2-CG 4.02Å; T158-W160 HydrophobicContact CG2-CH2 4.5Å; T158-W160 HydrophobicContact CG2-CZ2 3.96Å; W160-V171 WeakPolarHBondContact O-CA 3.26Å; W160-Y172 HydrophobicContact CB-CD1 4.38Å; W160-Y172 PolarHBondContact N-O 2.99Å; W160-Y172 PolarHBondContact O-N 2.68Å
161R96.7Very high92.3Very high59 Ų5924 Ų2422%0.22314%0.138CC..EExtended strand (participates in β ladder)trans-94.4122.4166.5176.1179.763.3178.46.8109.3I146 V147 L149 E169I146-R161 CarbonylContact C-O 3.52Å; I146-R161 WeakPolarHBondContact CA-O 3.36Å; V147-R161 HydrophobicContact CB-CB 4.27Å; V147-R161 PolarHBondContact N-O 3.23Å; V147-R161 PolarHBondContact O-N 2.84Å; L149-R161 HydrophobicContact CD1-CB 4.25Å; R161-E169 WeakPolarHBondContact CD-OE2 3.41Å; R161-E169 HydrophobicContact CG-CB 3.97Å; R161-E169 IonicContact NH1-OE2 3.7Å
162I96.7Very high92.4Very high0 Ų024 Ų240%014%0.138CC..EExtended strand (participates in β ladder)trans-115.3120.1178-54.2168.5000107.5L23 F30 L32 L59 Q145 I146 E169 I170L23-I162 HydrophobicContact CD2-CD1 3.49Å; L23-I162 VanDerWaalsContact CD2-CD1 3.49Å; F30-I162 HydrophobicContact CD2-CD1 4.42Å; F30-I162 HydrophobicContact CE2-CD1 4.42Å; F30-I162 HydrophobicContact CE2-CG2 3.96Å; F30-I162 HydrophobicContact CZ-CG2 3.97Å; L32-I162 HydrophobicContact CD2-CD1 4.38Å; L59-I162 HydrophobicContact CD1-CD1 3.83Å; L59-I162 HydrophobicContact CD1-CG1 4.12Å; Q145-I162 CarbonylContact O-C 3.51Å; Q145-I162 WeakPolarHBondContact O-CA 3.26Å; I146-I162 HydrophobicContact CG2-CG1 4.22Å; I162-E169 CarbonylContact O-C 3.55Å; I162-E169 WeakPolarHBondContact O-CA 3.27Å; I162-I170 HydrophobicContact CB-CB 4.29Å; I162-I170 PolarHBondContact N-O 2.63Å; I162-I170 PolarHBondContact O-N 3.08Å
163S92.6Very high92.4Very high16 Ų1623.7 Ų23.711%0.11214%0.136CC..EExtended strand (participates in β ladder)trans-134.8143.6-176.756.10000111Q145Q145-S163 PolarHBondContact N-O 3.22Å; Q145-S163 PolarHBondContact O-N 3.25Å
164K86.1Confident92.5Very high53 Ų5323.5 Ų23.523%0.2314%0.135CC..EExtended strand (participates in β ladder)trans-94.2143.6167.4-174.8166.7170.3-178.50109.1M1 T2 S3 D26 G143 L144 G166 E167M1-K164 HydrophobicContact CE-CB 3.69Å; T2-K164 PolarHBondContact O-NZ 3.14Å; S3-K164 WeakPolarHBondContact OG-CD 3.26Å; S3-K164 PolarHBondContact OG-NZ 2.97Å; D26-K164 IonicContact OD2-NZ 2.67Å; D26-K164 PolarHBondContact OD2-NZ 3.03Å; G143-K164 WeakPolarHBondContact O-CA 3.49Å; L144-K164 HydrophobicContact CD2-CB 4.02Å; L144-K164 HydrophobicContact CD2-CD 4.41Å; L144-K164 HydrophobicContact CD2-CG 4.33Å; K164-G166 PolarHBondContact O-N 2.88Å; K164-G166 VanDerWaalsContact O-N 3.16Å; K164-E167 HydrophobicContact CB-CB 4.15Å; K164-E167 HydrophobicContact CB-CG 4.29Å; K164-E167 VanDerWaalsContact CD-OE1 3.27Å; K164-E167 WeakPolarHBondContact CD-OE1 3.34Å; K164-E167 VanDerWaalsContact CE-OE1 3.25Å; K164-E167 WeakPolarHBondContact CE-OE1 3.4Å; K164-E167 HydrophobicContact CG-CG 4.36Å; K164-E167 IonicContact NZ-OE1 3.12Å; K164-E167 PolarHBondContact O-N 3.06Å
165M75.3Confident92.4Very high110 Ų11023.1 Ų23.154%0.54213%0.133SC..THydrogen-bonded Turntrans-51.6120.2-175.3-67.8-72.9-162.100112.4G143 Q145 E167G143-M165 PolarHBondContact O-N 3.49Å; G143-M165 VanDerWaalsContact O-N 3.09Å; Q145-M165 VanDerWaalsContact CD-SD 3.59Å; Q145-M165 HydrophobicContact CG-CE 4.09Å; Q145-M165 HydrophobicContact CG-SD 4.26Å; Q145-M165 PolarHBondContact NE2-SD 3.1Å; M165-E167 PolarHBondContact O-N 3.26Å
166G73.9Confident92.4Very high93 Ų9323.3 Ų23.396%0.95913%0.134SC*.THydrogen-bonded Turntrans76.53.4179.300000115.2K164K164-G166 PolarHBondContact O-N 2.88Å; K164-G166 VanDerWaalsContact O-N 3.16Å
167E77.4Confident92.4Very high52 Ų5223.3 Ų23.324%0.24313%0.133CC..SBendtrans-111.8174-179.7-59.6-170.5-158.100112.6M1 T2 K164 M165M1-E167 VanDerWaalsContact C-OE2 3.31Å; M1-E167 WeakPolarHBondContact CA-OE2 3.49Å; M1-E167 HydrophobicContact CG-CB 4.35Å; M1-E167 WeakPolarHBondContact CG-OE2 3.45Å; T2-E167 PolarHBondContact N-OE2 3.16Å; T2-E167 PolarHBondContact OG1-OE1 2.89Å; T2-E167 PolarHBondContact OG1-OE2 2.99Å; K164-E167 HydrophobicContact CB-CB 4.15Å; K164-E167 HydrophobicContact CB-CG 4.29Å; K164-E167 VanDerWaalsContact CD-OE1 3.27Å; K164-E167 WeakPolarHBondContact CD-OE1 3.34Å; K164-E167 VanDerWaalsContact CE-OE1 3.25Å; K164-E167 WeakPolarHBondContact CE-OE1 3.4Å; K164-E167 HydrophobicContact CG-CG 4.36Å; K164-E167 IonicContact NZ-OE1 3.12Å; K164-E167 PolarHBondContact O-N 3.06Å; M165-E167 PolarHBondContact O-N 3.26Å
168E81.1Confident92.2Very high72 Ų7226 Ų2634%0.33615%0.146SC..PPolyproline II helixtrans-72.9157.3175.9-59.2-178.5154.800112.3K573E168-K573 WeakPolarHBondContact OE1-CE 3.48Å; E168-K573 IonicContact OE1-NZ 3.42Å; E168-K573 PolarHBondContact OE1-NZ 2.65Å; E168-K573 WeakPolarHBondContact OE2-CE 3.42Å; E168-K573 IonicContact OE2-NZ 3.73Å; E168-K573 PolarHBondContact OE2-NZ 3.01Å
169E92.4Very high91.9Very high29 Ų2928.9 Ų28.914%0.13616%0.159CC..EExtended strand (participates in β ladder)trans-93.7148.8-173.161.2-172.9-148.500113.6R161 I162 V171 P195 S196R161-E169 WeakPolarHBondContact CD-OE2 3.41Å; R161-E169 HydrophobicContact CG-CB 3.97Å; R161-E169 IonicContact NH1-OE2 3.7Å; I162-E169 CarbonylContact O-C 3.55Å; I162-E169 WeakPolarHBondContact O-CA 3.27Å; E169-V171 HydrophobicContact CG-CG2 4.18Å; E169-P195 HydrophobicContact CG-CB 4.06Å; E169-S196 WeakPolarHBondContact O-CB 3.41Å; E169-S196 PolarHBondContact O-N 3.08Å; E169-S196 PolarHBondContact O-OG 3.5Å
170I96Very high91.6Very high0 Ų033.6 Ų33.60%018%0.179CC..EExtended strand (participates in β ladder)trans-97.7135160.9-58.3164.7000106.8M1 V5 L23 V25 I162 L197 I199M1-I170 HydrophobicContact CE-CD1 4.1Å; M1-I170 HydrophobicContact CE-CG1 4.42Å; M1-I170 HydrophobicContact SD-CD1 3.64Å; M1-I170 HydrophobicContact SD-CG1 3.78Å; V5-I170 HydrophobicContact CB-CD1 4.48Å; V5-I170 HydrophobicContact CG1-CD1 3.74Å; V5-I170 HydrophobicContact CG2-CD1 3.83Å; L23-I170 HydrophobicContact CD2-CG2 4.27Å; V25-I170 HydrophobicContact CG2-CD1 3.75Å; I162-I170 HydrophobicContact CB-CB 4.29Å; I162-I170 PolarHBondContact N-O 2.63Å; I162-I170 PolarHBondContact O-N 3.08Å; I170-L197 WeakPolarHBondContact CA-O 3.24Å; I170-L197 HydrophobicContact CG1-CB 4.3Å; I170-L197 HydrophobicContact CG2-CB 4.23Å; I170-L197 HydrophobicContact CG2-CD2 3.95Å; I170-L197 HydrophobicContact CG2-CG 4.19Å; I170-I199 HydrophobicContact CG2-CD1 4.44Å
171V97.6Very high91.4Very high0 Ų034.2 Ų34.20%018%0.182CC..EExtended strand (participates in β ladder)trans-120.4122.8178.3175.50000109.2I159 W160 E169 A173 I192 P195 L197 L198 I199I159-V171 HydrophobicContact CG2-CG1 3.73Å; W160-V171 WeakPolarHBondContact O-CA 3.26Å; E169-V171 HydrophobicContact CG-CG2 4.18Å; V171-A173 HydrophobicContact CG1-CB 4.04Å; V171-I192 HydrophobicContact CG1-CD1 3.94Å; V171-I192 HydrophobicContact CG2-CD1 4.48Å; V171-I192 HydrophobicContact CG2-CG1 4.49Å; V171-I192 HydrophobicContact CG2-CG2 3.94Å; V171-P195 HydrophobicContact CB-CB 4.35Å; V171-P195 HydrophobicContact CG2-CB 3.78Å; V171-P195 HydrophobicContact CG2-CG 4.45Å; V171-L197 PolarHBondContact N-O 3.36Å; V171-L198 HydrophobicContact CB-CD1 3.82Å; V171-L198 HydrophobicContact CG1-CD1 3.61Å; V171-L198 WeakPolarHBondContact O-CA 3.21Å; V171-I199 PolarHBondContact O-N 2.96Å
172Y98.4Very high91.1Very high0 Ų033.9 Ų33.90%018%0.181CC..EExtended strand (participates in β ladder)trans-102.6107.5169.1174.7-122.3000109.1Y21 L32 D33 T61 W160 V174 I199Y21-Y172 AromaticContact CD2-CE2 3.81Å; Y21-Y172 HydrophobicContact CD2-CE2 3.81Å; Y21-Y172 AromaticContact CD2-CZ 4Å; Y21-Y172 AromaticContact CE2-CE2 3.83Å; Y21-Y172 HydrophobicContact CE2-CE2 3.83Å; Y21-Y172 WeakPolarHBondContact CE2-OH 3.31Å; L32-Y172 HydrophobicContact CB-CD1 4.19Å; L32-Y172 HydrophobicContact CB-CE1 3.83Å; L32-Y172 HydrophobicContact CB-CE2 4.32Å; L32-Y172 HydrophobicContact CD1-CD1 4.23Å; L32-Y172 HydrophobicContact CD1-CD2 3.86Å; L32-Y172 HydrophobicContact CD1-CE2 4.21Å; L32-Y172 HydrophobicContact CD1-CG 3.87Å; L32-Y172 HydrophobicContact CD2-CD1 4.15Å; L32-Y172 HydrophobicContact CD2-CG 4.46Å; L32-Y172 HydrophobicContact CG-CD1 4.43Å; D33-Y172 WeakPolarHBondContact OD2-CE1 3.35Å; D33-Y172 VanDerWaalsContact OD2-CZ 3.31Å; D33-Y172 PolarHBondContact OD2-OH 3.35Å; T61-Y172 WeakPolarHBondContact OG1-CE1 3.45Å; W160-Y172 HydrophobicContact CB-CD1 4.38Å; W160-Y172 PolarHBondContact N-O 2.99Å; W160-Y172 PolarHBondContact O-N 2.68Å; Y172-V174 HydrophobicContact CD2-CG1 4.06Å; Y172-V174 HydrophobicContact CE1-CG2 4.05Å; Y172-V174 HydrophobicContact CE2-CB 4.32Å; Y172-V174 HydrophobicContact CE2-CG1 3.39Å; Y172-V174 HydrophobicContact CE2-CG2 3.97Å; Y172-V174 WeakPolarHBondContact OH-CG2 3.32Å; Y172-I199 HydrophobicContact CD2-CB 3.97Å; Y172-I199 HydrophobicContact CD2-CG2 3.77Å; Y172-I199 HydrophobicContact CE2-CG2 4.18Å
173A97.6Very high91Very high0 Ų033.9 Ų33.90%018%0.181CC..EExtended strand (participates in β ladder)trans-132.991-17400000110.2I159 V171 F176 F189 L198 I199 T200I159-A173 HydrophobicContact CB-CB 4.43Å; I159-A173 HydrophobicContact CD1-CB 4.22Å; I159-A173 HydrophobicContact CG1-CB 3.93Å; I159-A173 HydrophobicContact CG2-CB 3.78Å; V171-A173 HydrophobicContact CG1-CB 4.04Å; A173-F176 HydrophobicContact CB-CD1 4.13Å; A173-F176 HydrophobicContact CB-CE1 4.42Å; A173-F176 WeakPolarHBondContact O-CD1 3.32Å; A173-F189 HydrophobicContact CB-CE1 4.31Å; A173-F189 HydrophobicContact CB-CZ 3.77Å; A173-L198 HydrophobicContact CB-CD1 4.18Å; A173-I199 PolarHBondContact N-O 3.42Å; A173-T200 WeakPolarHBondContact O-CA 3.29Å; A173-T200 PolarHBondContact O-OG1 2.66Å
174V97.3Very high91.1Very high0 Ų033.3 Ų33.30%018%0.177CC..  trans-113.6152.1177-65.10000110.6L19 T61 F62 Y172 F176 D201 V578L19-V174 HydrophobicContact CD2-CB 3.7Å; L19-V174 HydrophobicContact CD2-CG1 3.97Å; L19-V174 HydrophobicContact CD2-CG2 3.54Å; T61-V174 HydrophobicContact CG2-CG2 3.84Å; F62-V174 WeakPolarHBondContact CE2-O 3.09Å; Y172-V174 HydrophobicContact CD2-CG1 4.06Å; Y172-V174 HydrophobicContact CE1-CG2 4.05Å; Y172-V174 HydrophobicContact CE2-CB 4.32Å; Y172-V174 HydrophobicContact CE2-CG1 3.39Å; Y172-V174 HydrophobicContact CE2-CG2 3.97Å; Y172-V174 WeakPolarHBondContact OH-CG2 3.32Å; V174-F176 PolarHBondContact O-N 2.89Å; V174-D201 WeakPolarHBondContact CA-OD1 3.37Å; V174-D201 HydrophobicContact CB-CB 4.43Å; V174-D201 HydrophobicContact CG1-CB 4.41Å; V174-V578 HydrophobicContact CG1-CG2 3.89Å
175D96.2Very high91.6Very high0 Ų033.2 Ų33.20%018%0.178CC..SBendtrans52.430.5171.9-67.9-24.8000113.9F62 H67 H153 D201 R557 H579F62-D175 HydrophobicContact CD2-CB 4.32Å; F62-D175 HydrophobicContact CE2-CB 3.7Å; F62-D175 HydrophobicContact CZ-CB 4.47Å; F62-D175 WeakPolarHBondContact CZ-O 3.44Å; H67-D175 IonicContact CE1-OD2 2.85Å; H67-D175 PolarHBondContact CE1-OD2 3.28Å; H67-D175 VanDerWaalsContact CE1-OD2 3.27Å; H67-D175 IonicContact NE2-OD2 2.85Å; H67-D175 PolarHBondContact NE2-OD2 2.81Å; H153-D175 WeakPolarHBondContact CB-O 3.28Å; H153-D175 VanDerWaalsContact CG-O 3.28Å; D175-D201 PolarHBondContact N-OD1 2.84Å; D175-R557 HydrophobicContact CB-CG 4.37Å; D175-R557 VanDerWaalsContact CG-NH1 3.33Å; D175-R557 WeakPolarHBondContact OD1-CD 3.24Å; D175-R557 IonicContact OD1-CZ 3.57Å; D175-R557 IonicContact OD1-NE 2.65Å; D175-R557 PolarHBondContact OD1-NE 2.93Å; D175-R557 IonicContact OD1-NH1 2.75Å; D175-R557 PolarHBondContact OD1-NH1 2.81Å; D175-R557 IonicContact OD1-NH2 3.86Å; D175-R557 IonicContact OD2-CZ 3.13Å; D175-R557 VanDerWaalsContact OD2-CZ 3.25Å; D175-R557 IonicContact OD2-NE 3.53Å; D175-R557 IonicContact OD2-NH1 3.37Å; D175-R557 PolarHBondContact OD2-NH1 2.84Å; D175-R557 IonicContact OD2-NH2 3.95Å; D175-R557 PolarHBondContact OD2-NH2 3.07Å; D175-H579 IonicContact OD1-CE1 3.43Å; D175-H579 IonicContact OD1-ND1 3.32Å; D175-H579 PolarHBondContact OD1-ND1 2.64Å; D175-H579 IonicContact OD2-CE1 3.58Å; D175-H579 PolarHBondContact OD2-CE1 2.85Å; D175-H579 IonicContact OD2-ND1 3.94Å; D175-H579 PolarHBondContact OD2-ND1 3.01Å
176F96.6Very high92.5Very high4 Ų428.9 Ų28.92%0.01816%0.162CC..  trans-83.5154.9-176.763.2-93000112.6A151 I159 A173 V174 C187 F189 R557 S558 I563 I566A151-F176 HydrophobicContact CB-CB 4.31Å; A151-F176 CarbonylContact O-C 3.52Å; A151-F176 WeakPolarHBondContact O-CA 3.08Å; I159-F176 HydrophobicContact CD1-CB 4.11Å; I159-F176 HydrophobicContact CG1-CB 4.4Å; A173-F176 HydrophobicContact CB-CD1 4.13Å; A173-F176 HydrophobicContact CB-CE1 4.42Å; A173-F176 WeakPolarHBondContact O-CD1 3.32Å; V174-F176 PolarHBondContact O-N 2.89Å; F176-C187 HydrophobicContact CB-CB 4.41Å; F176-F189 HydrophobicContact CB-CE2 4.48Å; F176-F189 HydrophobicContact CD1-CE2 4.16Å; F176-F189 HydrophobicContact CD1-CZ 4.08Å; F176-F189 AromaticContact CD2-CE2 3.54Å; F176-F189 HydrophobicContact CD2-CE2 3.54Å; F176-F189 HydrophobicContact CD2-CZ 4.18Å; F176-F189 HydrophobicContact CE1-CE2 4.31Å; F176-F189 AromaticContact CE1-CZ 3.98Å; F176-F189 HydrophobicContact CE1-CZ 3.98Å; F176-F189 AromaticContact CE2-CE2 3.74Å; F176-F189 HydrophobicContact CE2-CE2 3.74Å; F176-F189 HydrophobicContact CE2-CZ 4.11Å; F176-F189 AromaticContact CG-CE2 3.78Å; F176-F189 HydrophobicContact CG-CE2 3.78Å; F176-F189 HydrophobicContact CG-CZ 4.18Å; F176-F189 HydrophobicContact CZ-CE2 4.11Å; F176-F189 AromaticContact CZ-CZ 4Å; F176-F189 HydrophobicContact CZ-CZ 4Å; F176-R557 CarbonylContact O-C 3.57Å; F176-S558 WeakPolarHBondContact CD2-OG 3.38Å; F176-S558 WeakPolarHBondContact CE2-OG 3.3Å; F176-S558 PolarHBondContact O-N 3.05Å; F176-S558 PolarHBondContact O-OG 3.26Å; F176-I563 HydrophobicContact CZ-CG1 4.42Å; F176-I566 HydrophobicContact CD2-CD1 4.34Å; F176-I566 HydrophobicContact CE2-CD1 3.55Å; F176-I566 HydrophobicContact CZ-CD1 4.39Å
177N95.7Very high93.4Very high0 Ų025.3 Ų25.30%012%0.122CC..  trans-125.3117.4175.1-169.84000111.7A151 H153 K179 E181 G186 C187 G556A151-N177 PolarHBondContact O-N 3.47Å; H153-N177 HydrophobicContact CB-CB 4.34Å; N177-K179 WeakPolarHBondContact OD1-CB 3.43Å; N177-K179 PolarHBondContact OD1-N 2.89Å; N177-E181 PolarHBondContact ND2-OE1 2.84Å; N177-G186 CarbonylContact O-C 3.4Å; N177-G186 WeakPolarHBondContact O-CA 3.36Å; N177-C187 PolarHBondContact O-N 3.26Å; N177-G556 WeakPolarHBondContact CB-O 3.33Å; N177-G556 PolarHBondContact ND2-O 2.85Å
178H93.5Very high93.8Very high56 Ų5624.5 Ų24.526%0.25912%0.123SC..  trans-82-17.5175.270.9-69.4000113.8C187 S558 D559 S562 I566H178-C187 WeakPolarHBondContact CA-SG 3.44Å; H178-S558 PolarHBondContact N-OG 3.44Å; H178-S558 PolarHBondContact ND1-OG 2.57Å; H178-D559 IonicContact CE1-OD1 3.8Å; H178-S562 WeakPolarHBondContact CE1-CB 3.5Å; H178-S562 PolarHBondContact CE1-OG 3.16Å; H178-S562 WeakPolarHBondContact ND1-CB 3.48Å; H178-S562 WeakPolarHBondContact NE2-CB 3.39Å; H178-S562 PolarHBondContact NE2-OG 3.42Å; H178-I566 HydrophobicContact CB-CD1 3.74Å
179K92.5Very high94Very high62 Ų6221.6 Ų21.627%0.2711%0.109SC..SBendtrans-78.7141.5-179.1-63.3177.2-176.5158.10109.4N177 E181 D559N177-K179 WeakPolarHBondContact OD1-CB 3.43Å; N177-K179 PolarHBondContact OD1-N 2.89Å; K179-E181 PolarHBondContact O-N 3.35Å; K179-D559 VanDerWaalsContact NZ-CG 3.3Å; K179-D559 IonicContact NZ-OD1 2.87Å; K179-D559 PolarHBondContact NZ-OD1 2.72Å; K179-D559 IonicContact NZ-OD2 2.57Å; K179-D559 PolarHBondContact NZ-OD2 2.9Å
180K92.7Very high93.5Very high99 Ų9927.9 Ų27.943%0.4314%0.138SC..  trans-75.2117.6172.1-174.3166.2-173140.30109.9N185 D289K180-N185 WeakPolarHBondContact CE-OD1 3.41Å; K180-N185 PolarHBondContact NZ-OD1 2.75Å; K180-D289 IonicContact NZ-OD2 2.75Å; K180-D289 PolarHBondContact NZ-OD2 3.47Å
181E92.9Very high93Very high14 Ų1430.6 Ų30.67%0.06516%0.157CC..  trans-90.3-178.1176.4-66.7-56.4157.400112N177 K179 H183 L184 R215N177-E181 PolarHBondContact ND2-OE1 2.84Å; K179-E181 PolarHBondContact O-N 3.35Å; E181-H183 VanDerWaalsContact C-N 3.3Å; E181-H183 PolarHBondContact O-N 2.95Å; E181-L184 PolarHBondContact N-O 3.43Å; E181-L184 VanDerWaalsContact N-O 3.08Å; E181-R215 IonicContact OE2-NH2 2.66Å
182R91.8Very high92.6Very high51 Ų5130.7 Ų30.719%0.19216%0.157CC..SBendtrans-62.1-40.1177.8-71.7176.4179.4-84-5.7112.6D216 E245 L249 Q252R182-D216 IonicContact CZ-OD2 3.77Å; R182-D216 IonicContact NE-OD2 3.27Å; R182-D216 IonicContact NH2-OD2 3.37Å; R182-D216 PolarHBondContact NH2-OD2 2.96Å; R182-E245 HydrophobicContact CB-CG 4.15Å; R182-E245 HydrophobicContact CG-CG 4.44Å; R182-L249 VanDerWaalsContact CZ-CD1 3.48Å; R182-Q252 VanDerWaalsContact NH1-OE1 3.13Å
183H93.2Very high92.1Very high0 Ų034.4 Ų34.40%019%0.188CC..SBendtrans-108.7-23.2-171.768.7-60.6000113.7E181 E245 M287 S288 I291 F303E181-H183 VanDerWaalsContact C-N 3.3Å; E181-H183 PolarHBondContact O-N 2.95Å; H183-E245 IonicContact CE1-OE2 3.01Å; H183-E245 WeakPolarHBondContact ND1-CB 3.27Å; H183-M287 WeakPolarHBondContact O-CA 3.07Å; H183-M287 VanDerWaalsContact O-CB 3.29Å; H183-M287 WeakPolarHBondContact O-CB 3.44Å; H183-S288 PolarHBondContact O-N 3.18Å; H183-I291 HydrophobicContact CB-CD1 3.84Å; H183-F303 HydrophobicContact CB-CZ 4.43Å
184L96Very high91.8Very high5 Ų542.2 Ų42.23%0.02622%0.218CC..  trans-119.8152-177.2-58.6175.5000112.7M154 I155 E181M154-L184 VanDerWaalsContact C-CD1 3.41Å; I155-L184 HydrophobicContact CB-CD2 4.23Å; I155-L184 HydrophobicContact CG1-CD2 4.39Å; E181-L184 PolarHBondContact N-O 3.43Å; E181-L184 VanDerWaalsContact N-O 3.08Å
185N95.2Very high91.7Very high50 Ų5042.2 Ų42.227%0.26722%0.218SC..PPolyproline II helixtrans-74.2158.2161.1-72.3-32.3000109.7G152 K180 S288 D289G152-N185 WeakPolarHBondContact CA-O 3.03Å; K180-N185 WeakPolarHBondContact CE-OD1 3.41Å; K180-N185 PolarHBondContact NZ-OD1 2.75Å; N185-S288 WeakPolarHBondContact OD1-CA 3.38Å; N185-D289 PolarHBondContact ND2-OD1 3.32Å; N185-D289 PolarHBondContact OD1-OD2 2.83Å
186G94.2Very high91.5Very high20 Ų2042.4 Ų42.421%0.20622%0.219CC..PPolyproline II helixtrans-69166.2170.200000111.7N177N177-G186 CarbonylContact O-C 3.4Å; N177-G186 WeakPolarHBondContact O-CA 3.36Å
187C93.8Very high91.5Very high17 Ų1742.3 Ų42.312%0.11522%0.219CC..PPolyproline II helixtrans-60.9146.4177.159.80000112.8P150 A151 I159 F176 N177 H178 F189P150-C187 WeakPolarHBondContact O-CA 3.4Å; P150-C187 VanDerWaalsContact O-CB 3.29Å; P150-C187 WeakPolarHBondContact O-CB 3.32Å; A151-C187 WeakPolarHBondContact O-CB 3.38Å; I159-C187 HydrophobicContact CD1-CB 4.01Å; F176-C187 HydrophobicContact CB-CB 4.41Å; N177-C187 PolarHBondContact O-N 3.26Å; H178-C187 WeakPolarHBondContact CA-SG 3.44Å; C187-F189 HydrophobicContact CB-CD2 4.16Å; C187-F189 HydrophobicContact CB-CE2 4.32Å; C187-F189 PolarHBondContact O-N 3.07Å; C187-F189 WeakPolarHBondContact SG-CD2 3.27Å
188S86.1Confident91.6Very high36 Ų3642.4 Ų42.425%0.25222%0.219SC..  trans-97.179.7178.6-172.60000111.1P150 E190 S191P150-S188 PolarHBondContact O-N 3.41Å; S188-E190 VanDerWaalsContact C-N 3.26Å; S188-S191 PolarHBondContact O-OG 3.42Å
189F84.3Confident91.8Very high11 Ų1139.7 Ų39.75%0.04821%0.207CC..  trans-80.2-7.5170.3-89.8-90.5000113.2I159 A173 F176 C187 S191 I192 I566I159-F189 HydrophobicContact CD1-CD2 4.1Å; I159-F189 HydrophobicContact CD1-CE2 3.5Å; I159-F189 VanDerWaalsContact CD1-CE2 3.5Å; I159-F189 HydrophobicContact CD1-CZ 3.87Å; A173-F189 HydrophobicContact CB-CE1 4.31Å; A173-F189 HydrophobicContact CB-CZ 3.77Å; F176-F189 HydrophobicContact CB-CE2 4.48Å; F176-F189 HydrophobicContact CD1-CE2 4.16Å; F176-F189 HydrophobicContact CD1-CZ 4.08Å; F176-F189 AromaticContact CD2-CE2 3.54Å; F176-F189 HydrophobicContact CD2-CE2 3.54Å; F176-F189 HydrophobicContact CD2-CZ 4.18Å; F176-F189 HydrophobicContact CE1-CE2 4.31Å; F176-F189 AromaticContact CE1-CZ 3.98Å; F176-F189 HydrophobicContact CE1-CZ 3.98Å; F176-F189 AromaticContact CE2-CE2 3.74Å; F176-F189 HydrophobicContact CE2-CE2 3.74Å; F176-F189 HydrophobicContact CE2-CZ 4.11Å; F176-F189 AromaticContact CG-CE2 3.78Å; F176-F189 HydrophobicContact CG-CE2 3.78Å; F176-F189 HydrophobicContact CG-CZ 4.18Å; F176-F189 HydrophobicContact CZ-CE2 4.11Å; F176-F189 AromaticContact CZ-CZ 4Å; F176-F189 HydrophobicContact CZ-CZ 4Å; C187-F189 HydrophobicContact CB-CD2 4.16Å; C187-F189 HydrophobicContact CB-CE2 4.32Å; C187-F189 PolarHBondContact O-N 3.07Å; C187-F189 WeakPolarHBondContact SG-CD2 3.27Å; F189-S191 PolarHBondContact O-N 3.31Å; F189-I192 HydrophobicContact CD1-CB 4.38Å; F189-I192 HydrophobicContact CD1-CD1 3.78Å; F189-I192 HydrophobicContact CE1-CD1 4.1Å; F189-I192 HydrophobicContact CG-CD1 4.34Å; F189-I192 PolarHBondContact O-N 3.15Å; F189-I566 HydrophobicContact CB-CG2 4.25Å; F189-I566 HydrophobicContact CD1-CG2 3.51Å; F189-I566 HydrophobicContact CD2-CG2 3.82Å; F189-I566 HydrophobicContact CE1-CG2 3.65Å; F189-I566 HydrophobicContact CE2-CG2 3.94Å; F189-I566 HydrophobicContact CG-CG2 3.59Å; F189-I566 HydrophobicContact CZ-CG2 3.85Å
190E83Confident92Very high161 Ų16136.9 Ų36.975%0.75220%0.195SC*.THydrogen-bonded Turntrans-62.4-29.8-177.2-66.3163.4174.600112.4S188 I192S188-E190 VanDerWaalsContact C-N 3.26Å; E190-I192 VanDerWaalsContact C-N 3.33Å
191S84Confident92.2Very high57 Ų5732.4 Ų32.440%0.39918%0.175SC..THydrogen-bonded Turntrans-80.8-10.9176.357.80000113.8S188 F189S188-S191 PolarHBondContact O-OG 3.42Å; F189-S191 PolarHBondContact O-N 3.31Å
192I89.7Confident92.3Very high1 Ų131.7 Ų31.71%0.00517%0.172CC..  trans-99.898-176.1-60.2167.6000108.5L149 I159 V171 F189 E190 P195L149-I192 HydrophobicContact CD1-CD1 3.84Å; L149-I192 HydrophobicContact CD1-CG1 3.88Å; I159-I192 HydrophobicContact CG2-CD1 4.15Å; V171-I192 HydrophobicContact CG1-CD1 3.94Å; V171-I192 HydrophobicContact CG2-CD1 4.48Å; V171-I192 HydrophobicContact CG2-CG1 4.49Å; V171-I192 HydrophobicContact CG2-CG2 3.94Å; F189-I192 HydrophobicContact CD1-CB 4.38Å; F189-I192 HydrophobicContact CD1-CD1 3.78Å; F189-I192 HydrophobicContact CE1-CD1 4.1Å; F189-I192 HydrophobicContact CG-CD1 4.34Å; F189-I192 PolarHBondContact O-N 3.15Å; E190-I192 VanDerWaalsContact C-N 3.33Å; I192-P195 HydrophobicContact CG2-CB 4.29Å; I192-P195 HydrophobicContact CG2-CG 3.89Å
193A86.8Confident92.5Very high79 Ų7929.8 Ų29.865%0.65317%0.165SC*.  trans-117.6110.9-179.400000110.7
194R92.4Very high92.5Very high164 Ų16429.8 Ų29.862%0.61917%0.165SC*.SBendtrans54.958.3178.6-61.6-176.1167.8-170-3.7114S570 K571R194-S570 WeakPolarHBondContact CA-O 3.38Å; R194-S570 PolarHBondContact N-O 3.29Å; R194-K571 HydrophobicContact CG-CB 4.14Å
195P94.1Very high92.3Very high0 Ų029.6 Ų29.60%016%0.164CC..  trans-59.6147.1175.229.1-35.9000110.5E169 V171 I192 L197 L198 P572 K573E169-P195 HydrophobicContact CG-CB 4.06Å; V171-P195 HydrophobicContact CB-CB 4.35Å; V171-P195 HydrophobicContact CG2-CB 3.78Å; V171-P195 HydrophobicContact CG2-CG 4.45Å; I192-P195 HydrophobicContact CG2-CB 4.29Å; I192-P195 HydrophobicContact CG2-CG 3.89Å; P195-L197 VanDerWaalsContact C-N 3.28Å; P195-L197 PolarHBondContact O-N 3.46Å; P195-L198 HydrophobicContact CG-CB 4.18Å; P195-P572 HydrophobicContact CG-CB 3.97Å; P195-K573 PolarHBondContact O-N 3.36Å
196S93.8Very high92.1Very high3 Ų331.3 Ų31.32%0.02117%0.173CC..SBendtrans-63.9-39.9178.869.40000111.2E169 Q574E169-S196 WeakPolarHBondContact O-CB 3.41Å; E169-S196 PolarHBondContact O-N 3.08Å; E169-S196 PolarHBondContact O-OG 3.5Å; S196-Q574 PolarHBondContact O-N 3.41Å
197L95.7Very high91.8Very high3 Ų333.1 Ų33.12%0.01618%0.176CC..EExtended strand (participates in β ladder)trans-140130.6174.7171.862.1000108.6V5 I170 V171 P195 I199 Q574 I576 A614V5-L197 HydrophobicContact CG1-CD2 3.7Å; I170-L197 WeakPolarHBondContact CA-O 3.24Å; I170-L197 HydrophobicContact CG1-CB 4.3Å; I170-L197 HydrophobicContact CG2-CB 4.23Å; I170-L197 HydrophobicContact CG2-CD2 3.95Å; I170-L197 HydrophobicContact CG2-CG 4.19Å; V171-L197 PolarHBondContact N-O 3.36Å; P195-L197 VanDerWaalsContact C-N 3.28Å; P195-L197 PolarHBondContact O-N 3.46Å; L197-I199 HydrophobicContact CD2-CD1 4.36Å; L197-I199 HydrophobicContact CD2-CG1 4.21Å; L197-I199 HydrophobicContact CG-CG1 4.16Å; L197-Q574 HydrophobicContact CD1-CB 4.1Å; L197-I576 HydrophobicContact CD1-CB 4.46Å; L197-I576 HydrophobicContact CD1-CD1 3.75Å; L197-I576 HydrophobicContact CD1-CG1 3.75Å; L197-I576 HydrophobicContact CD2-CD1 3.93Å; L197-I576 HydrophobicContact CG-CD1 4.39Å; L197-A614 HydrophobicContact CD1-CB 4.19Å; L197-A614 HydrophobicContact CD2-CB 3.93Å
198L97.2Very high91.5Very high1 Ų137.8 Ų37.81%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-114.2119.4168.8177.765000109.4V171 A173 P195 L567 P572 Q574 V575 I576V171-L198 HydrophobicContact CB-CD1 3.82Å; V171-L198 HydrophobicContact CG1-CD1 3.61Å; V171-L198 WeakPolarHBondContact O-CA 3.21Å; A173-L198 HydrophobicContact CB-CD1 4.18Å; P195-L198 HydrophobicContact CG-CB 4.18Å; L198-L567 HydrophobicContact CD2-CD2 3.36Å; L198-P572 HydrophobicContact CB-CB 3.7Å; L198-P572 HydrophobicContact CB-CG 4.32Å; L198-P572 HydrophobicContact CD2-CB 4.21Å; L198-P572 HydrophobicContact CD2-CG 4.05Å; L198-Q574 PolarHBondContact N-O 2.68Å; L198-V575 CarbonylContact O-C 3.55Å; L198-V575 VanDerWaalsContact O-CA 3.27Å; L198-V575 WeakPolarHBondContact O-CA 3.42Å; L198-I576 PolarHBondContact O-N 2.98Å
199I98.2Very high91.5Very high0 Ų037.7 Ų37.70%020%0.195CC..EExtended strand (participates in β ladder)trans-98.3117.3171.3-53.2169.1000106.7L7 L23 L32 I170 V171 Y172 A173 L197 I576 V578L7-I199 HydrophobicContact CD1-CD1 3.97Å; L7-I199 HydrophobicContact CD2-CD1 4.43Å; L7-I199 HydrophobicContact CD2-CG2 4.47Å; L23-I199 HydrophobicContact CD1-CD1 4.37Å; L32-I199 HydrophobicContact CD1-CD1 4.11Å; I170-I199 HydrophobicContact CG2-CD1 4.44Å; V171-I199 PolarHBondContact O-N 2.96Å; Y172-I199 HydrophobicContact CD2-CB 3.97Å; Y172-I199 HydrophobicContact CD2-CG2 3.77Å; Y172-I199 HydrophobicContact CE2-CG2 4.18Å; A173-I199 PolarHBondContact N-O 3.42Å; L197-I199 HydrophobicContact CD2-CD1 4.36Å; L197-I199 HydrophobicContact CD2-CG1 4.21Å; L197-I199 HydrophobicContact CG-CG1 4.16Å; I199-I576 WeakPolarHBondContact CA-O 3.09Å; I199-I576 HydrophobicContact CG1-CB 4.29Å; I199-I576 HydrophobicContact CG1-CD1 4.31Å; I199-V578 HydrophobicContact CG2-CG1 4.16Å; I199-V578 HydrophobicContact CG2-CG2 4.09Å
200T97.3Very high91.7Very high2 Ų240.2 Ų40.21%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-139.5151.8-173.6-1710000112A173 V575 I576 I577 V578 L588A173-T200 WeakPolarHBondContact O-CA 3.29Å; A173-T200 PolarHBondContact O-OG1 2.66Å; T200-V575 HydrophobicContact CG2-CG1 3.95Å; T200-I576 PolarHBondContact N-O 3.18Å; T200-I577 WeakPolarHBondContact O-CA 3.49Å; T200-V578 PolarHBondContact O-N 3.16Å; T200-L588 HydrophobicContact CG2-CD2 4.18Å
201D96.2Very high92Very high5 Ų542.9 Ų42.93%0.02722%0.217CC..EExtended strand (participates in β ladder)trans-80.9157.4176.767.7-77.5000113.4V174 D175 V578 H579V174-D201 WeakPolarHBondContact CA-OD1 3.37Å; V174-D201 HydrophobicContact CB-CB 4.43Å; V174-D201 HydrophobicContact CG1-CB 4.41Å; D175-D201 PolarHBondContact N-OD1 2.84Å; D201-V578 CarbonylContact C-O 3.55Å; D201-V578 VanDerWaalsContact CA-O 3.24Å; D201-V578 WeakPolarHBondContact CA-O 3.35Å; D201-H579 HydrophobicContact CB-CB 3.8Å
202A95.9Very high92.3Very high0 Ų044.7 Ų44.70%022%0.215CC..  trans-115.213.7171.500000112.8N204 M205 I577 V578 H579 S584 L588A202-N204 PolarHBondContact O-N 2.91Å; A202-N204 VanDerWaalsContact O-N 3.08Å; A202-M205 HydrophobicContact CB-CG 4.47Å; A202-M205 PolarHBondContact O-N 3.42Å; A202-M205 VanDerWaalsContact O-N 3.08Å; A202-I577 HydrophobicContact CB-CG2 3.63Å; A202-V578 PolarHBondContact N-O 3.47Å; A202-H579 CarbonylContact C-O 3.41Å; A202-H579 PolarHBondContact N-O 3.35Å; A202-S584 WeakPolarHBondContact O-CB 3.35Å; A202-L588 HydrophobicContact CB-CB 4.21Å; A202-L588 HydrophobicContact CB-CD2 3.94Å
203F94.8Very high92.4Very high10 Ų1052.7 Ų52.74%0.04425%0.25CS..THydrogen-bonded Turntrans-56.5-32.9-169-176.8-100000113.2E16 R358 H579E16-F203 HydrophobicContact CB-CD2 4.25Å; E16-F203 HydrophobicContact CB-CE2 3.83Å; E16-F203 HydrophobicContact CG-CD2 3.77Å; E16-F203 HydrophobicContact CG-CE2 3.59Å; F203-R358 VanDerWaalsContact CE1-NH2 3.29Å; F203-H579 WeakPolarHBondContact CA-O 3.29Å; F203-H579 WeakPolarHBondContact CB-O 3.47Å; F203-H579 AromaticContact CD2-CD2 3.96Å; F203-H579 AromaticContact CD2-NE2 3.64Å; F203-H579 PolarHBondContact N-O 3.32Å
204N93.9Very high92.8Very high0 Ų051.4 Ų51.40%024%0.239CC..THydrogen-bonded Turntrans-109.418-177.9-81.6-4.2000114.8A202 D206 F207 R358 R557 S558 S560 I563A202-N204 PolarHBondContact O-N 2.91Å; A202-N204 VanDerWaalsContact O-N 3.08Å; N204-D206 PolarHBondContact O-N 2.72Å; N204-F207 PolarHBondContact O-N 3.47Å; N204-R358 PolarHBondContact OD1-NH2 2.99Å; N204-R557 WeakPolarHBondContact ND2-CB 3.22Å; N204-S558 WeakPolarHBondContact CB-O 3.01Å; N204-S558 PolarHBondContact ND2-O 3.41Å; N204-S560 PolarHBondContact O-N 3.31Å; N204-I563 HydrophobicContact CB-CD1 4.37Å
205M92.5Very high92.9Very high2 Ų244.3 Ų44.31%0.0121%0.213CC..THydrogen-bonded Turntrans-69.7-31.4-176.6-100.4-37.3-39.200114.2A202 F207 S560 I563 L588A202-M205 HydrophobicContact CB-CG 4.47Å; A202-M205 PolarHBondContact O-N 3.42Å; A202-M205 VanDerWaalsContact O-N 3.08Å; M205-F207 VanDerWaalsContact C-N 3.26Å; M205-S560 WeakPolarHBondContact O-CB 3.11Å; M205-I563 HydrophobicContact SD-CB 4.43Å; M205-I563 HydrophobicContact SD-CG2 4.36Å; M205-L588 HydrophobicContact CG-CB 3.74Å; M205-L588 HydrophobicContact CG-CD1 4.12Å; M205-L588 HydrophobicContact CG-CD2 4.45Å; M205-L588 HydrophobicContact CG-CG 4.32Å; M205-L588 HydrophobicContact SD-CD1 3.89Å
206D90.2Very high93Very high86 Ų8645 Ų4546%0.4622%0.217SC..THydrogen-bonded Turntrans-85.8-0.1175.559.7-40.4000112.6N204 S584N204-D206 PolarHBondContact O-N 2.72Å; D206-S584 PolarHBondContact OD1-OG 3.25Å
207F88.4Confident93Very high58 Ų5850.4 Ų50.425%0.25424%0.242SC..  trans-114.3138.7-170.6-171.2-104.2000113.7N204 M205 Q209 D553 S560N204-F207 PolarHBondContact O-N 3.47Å; M205-F207 VanDerWaalsContact C-N 3.26Å; F207-Q209 HydrophobicContact CD1-CG 4.05Å; F207-Q209 HydrophobicContact CE1-CB 4.47Å; F207-Q209 HydrophobicContact CE1-CG 3.61Å; F207-D553 HydrophobicContact CE1-CB 4.44Å; F207-D553 VanDerWaalsContact CE1-OD2 3.24Å; F207-D553 WeakPolarHBondContact CE1-OD2 3.33Å; F207-D553 HydrophobicContact CZ-CB 4.05Å; F207-S560 PolarHBondContact O-N 3.21Å
208N87.4Confident93.1Very high114 Ų11453.6 Ų53.661%0.6126%0.258SS*.  trans-119.8122.1174.8-71.5-37.3000110S560N208-S560 PolarHBondContact OD1-OG 3.1Å
209Q85.9Confident93.1Very high34 Ų3453.5 Ų53.516%0.15926%0.258CS..PPolyproline II helixtrans-75.3139.9-177.2-78.5171.613.200112.5F207 D553 R557 D559F207-Q209 HydrophobicContact CD1-CG 4.05Å; F207-Q209 HydrophobicContact CE1-CB 4.47Å; F207-Q209 HydrophobicContact CE1-CG 3.61Å; Q209-D553 WeakPolarHBondContact CG-OD2 3.28Å; Q209-R557 PolarHBondContact NE2-O 3.28Å; Q209-D559 HydrophobicContact CB-CB 4.23Å; Q209-D559 HydrophobicContact CG-CB 3.97Å
210S88Confident93Very high65 Ų6555.5 Ų55.546%0.45527%0.268SS..PPolyproline II helixtrans-67.7155.1168.769.60000110.9R212S210-R212 PolarHBondContact O-N 2.9Å
211R90.1Very high92.9Very high216 Ų21658.8 Ų58.882%0.81529%0.288SS*.PPolyproline II helixtrans-64.8133.5173.9-67-174.6179.1-175.20.4109.1K213 A214 R215R211-K213 PolarHBondContact O-N 2.87Å; R211-A214 WeakPolarHBondContact O-CA 3.26Å; R211-A214 WeakPolarHBondContact O-CB 3.48Å; R211-A214 PolarHBondContact O-N 2.65Å; R211-R215 PolarHBondContact O-N 3.23Å
212R90.3Very high93Very high95 Ų9559 Ų5936%0.35829%0.289SS..Hα-helixtrans-46.3-42.3179.3176.5172156.7-159.3-9.8114.1S210 A214 R215 D216S210-R212 PolarHBondContact O-N 2.9Å; R212-A214 PolarHBondContact O-N 3.22Å; R212-R215 PolarHBondContact O-N 3.47Å; R212-D216 IonicContact NE-OD2 3.25Å; R212-D216 WeakPolarHBondContact O-CB 3.19Å; R212-D216 PolarHBondContact O-N 3.41Å
213K92Very high93.1Very high169 Ų16959 Ų5974%0.73529%0.289SS*.Hα-helixtrans-60.5-44.6177.4-173.7178.5177.7-177.70112.3R211 E217R211-K213 PolarHBondContact O-N 2.87Å; K213-E217 VanDerWaalsContact O-CB 3.28Å; K213-E217 WeakPolarHBondContact O-CB 3.32Å; K213-E217 PolarHBondContact O-N 3.2Å
214A94.8Very high93.2Very high52 Ų5259.9 Ų59.943%0.4329%0.294SS..Hα-helixtrans-68.7-39179.400000111.5R211 R212 E217 L218R211-A214 WeakPolarHBondContact O-CA 3.26Å; R211-A214 WeakPolarHBondContact O-CB 3.48Å; R211-A214 PolarHBondContact O-N 2.65Å; R212-A214 PolarHBondContact O-N 3.22Å; A214-E217 PolarHBondContact O-N 3.37Å; A214-L218 WeakPolarHBondContact O-CB 3.44Å; A214-L218 PolarHBondContact O-N 2.93Å
215R94.5Very high93.3Very high15 Ų1563.6 Ų63.66%0.05731%0.312CS..Hα-helixtrans-59.5-51.5173.3-177.9-166.862.4174.89112.1E181 R211 R212 E217 L218 L219 E245 I552 D553 F554E181-R215 IonicContact OE2-NH2 2.66Å; R211-R215 PolarHBondContact O-N 3.23Å; R212-R215 PolarHBondContact O-N 3.47Å; R215-E217 VanDerWaalsContact C-N 3.3Å; R215-E217 PolarHBondContact O-N 3.05Å; R215-L218 WeakPolarHBondContact O-CB 3.24Å; R215-L218 PolarHBondContact O-N 2.99Å; R215-L219 PolarHBondContact O-N 2.94Å; R215-E245 IonicContact CZ-OE1 2.7Å; R215-E245 IonicContact NH1-OE1 3.82Å; R215-E245 IonicContact NH2-OE1 3.31Å; R215-E245 PolarHBondContact NH2-OE1 2.97Å; R215-I552 HydrophobicContact CG-CG2 3.55Å; R215-D553 WeakPolarHBondContact CD-O 3.33Å; R215-F554 HydrophobicContact CG-CD2 4.28Å; R215-F554 HydrophobicContact CG-CE1 4.45Å; R215-F554 HydrophobicContact CG-CE2 3.73Å; R215-F554 HydrophobicContact CG-CZ 3.81Å; R215-F554 VanDerWaalsContact NE-CE1 3.26Å; R215-F554 VanDerWaalsContact NH2-CE1 3.35Å
216D94.7Very high93.5Very high16 Ų1663.8 Ų63.89%0.08631%0.313CS..Hα-helixtrans-65.5-36.3-178.1-65.12.2000110.8R182 R212 L220R182-D216 IonicContact CZ-OD2 3.77Å; R182-D216 IonicContact NE-OD2 3.27Å; R182-D216 IonicContact NH2-OD2 3.37Å; R182-D216 PolarHBondContact NH2-OD2 2.96Å; R212-D216 IonicContact NE-OD2 3.25Å; R212-D216 WeakPolarHBondContact O-CB 3.19Å; R212-D216 PolarHBondContact O-N 3.41Å; D216-L220 WeakPolarHBondContact O-CB 3.42Å; D216-L220 PolarHBondContact O-N 3.29Å
217E95.3Very high93.9Very high116 Ų11659.8 Ų59.854%0.54229%0.291SS..Hα-helixtrans-66.4-41.1173.7-176.7175.1179.200112.4K213 A214 R215 L220 T221K213-E217 VanDerWaalsContact O-CB 3.28Å; K213-E217 WeakPolarHBondContact O-CB 3.32Å; K213-E217 PolarHBondContact O-N 3.2Å; A214-E217 PolarHBondContact O-N 3.37Å; R215-E217 VanDerWaalsContact C-N 3.3Å; R215-E217 PolarHBondContact O-N 3.05Å; E217-L220 PolarHBondContact O-N 2.87Å; E217-T221 VanDerWaalsContact O-CB 3.28Å; E217-T221 WeakPolarHBondContact O-CB 3.43Å; E217-T221 PolarHBondContact O-N 2.81Å; E217-T221 PolarHBondContact O-OG1 3.21Å
218L96.6Very high94.3Very high69 Ų6965.1 Ų65.136%0.36131%0.31SS..Hα-helixtrans-62-45.6175.1179.962.6000111.2A214 R215 T221 N222 I552A214-L218 WeakPolarHBondContact O-CB 3.44Å; A214-L218 PolarHBondContact O-N 2.93Å; R215-L218 WeakPolarHBondContact O-CB 3.24Å; R215-L218 PolarHBondContact O-N 2.99Å; L218-T221 PolarHBondContact O-N 2.75Å; L218-N222 WeakPolarHBondContact O-CB 3.45Å; L218-N222 PolarHBondContact O-N 2.86Å; L218-N222 PolarHBondContact O-ND2 3.33Å; L218-I552 HydrophobicContact CD2-CD1 4.3Å; L218-I552 HydrophobicContact CD2-CG1 4.06Å; L218-I552 HydrophobicContact CD2-CG2 4.49Å; L218-I552 HydrophobicContact CG-CD1 3.99Å; L218-I552 HydrophobicContact CG-CG1 4.31Å
219L97.4Very high94.7Very high0 Ų064.4 Ų64.40%031%0.306CS..Hα-helixtrans-59-51.7175.9178.165.3000111R215 T221 N222 I223 I235 L246 L249 L250 I354 I552 F554R215-L219 PolarHBondContact O-N 2.94Å; L219-T221 VanDerWaalsContact C-N 3.33Å; L219-T221 PolarHBondContact O-N 3.15Å; L219-N222 PolarHBondContact O-N 2.87Å; L219-I223 HydrophobicContact CD1-CD1 3.89Å; L219-I223 HydrophobicContact CD1-CG1 4.36Å; L219-I223 HydrophobicContact CG-CD1 3.85Å; L219-I223 VanDerWaalsContact O-CG1 3.32Å; L219-I223 WeakPolarHBondContact O-CG1 3.38Å; L219-I223 PolarHBondContact O-N 2.81Å; L219-I235 HydrophobicContact CD1-CD1 4.37Å; L219-L246 HydrophobicContact CD2-CD2 3.95Å; L219-L249 HydrophobicContact CD2-CD2 3.84Å; L219-L250 HydrophobicContact CD2-CD2 4.44Å; L219-I354 HydrophobicContact CD1-CD1 3.85Å; L219-I354 HydrophobicContact CD1-CG2 4.12Å; L219-I552 HydrophobicContact CB-CD1 3.98Å; L219-I552 HydrophobicContact CD1-CD1 4.02Å; L219-F554 HydrophobicContact CB-CE2 4.31Å; L219-F554 HydrophobicContact CB-CZ 4.4Å; L219-F554 HydrophobicContact CD2-CE2 3.88Å; L219-F554 HydrophobicContact CD2-CZ 3.67Å
220L96.4Very high95.2Very high41 Ų4164.4 Ų64.422%0.21532%0.315CS..Hα-helixtrans-60.4-43.1-179.9178.962000112D216 E217 I223 I224 L253 L261D216-L220 WeakPolarHBondContact O-CB 3.42Å; D216-L220 PolarHBondContact O-N 3.29Å; E217-L220 PolarHBondContact O-N 2.87Å; L220-I223 PolarHBondContact O-N 3.48Å; L220-I224 HydrophobicContact CD1-CD1 3.63Å; L220-I224 HydrophobicContact CD1-CG1 3.95Å; L220-I224 HydrophobicContact CD2-CD1 4.41Å; L220-I224 HydrophobicContact CG-CD1 3.75Å; L220-I224 HydrophobicContact CG-CG1 4.37Å; L220-I224 WeakPolarHBondContact O-CB 3.36Å; L220-I224 WeakPolarHBondContact O-CG1 3.35Å; L220-I224 PolarHBondContact O-N 2.97Å; L220-L253 HydrophobicContact CD1-CD1 4.12Å; L220-L253 HydrophobicContact CD1-CD2 4.24Å; L220-L253 HydrophobicContact CD2-CD2 4.03Å; L220-L261 HydrophobicContact CD1-CD1 4.07Å
221T96.4Very high95.7Very high72 Ų7261.3 Ų61.344%0.44229%0.293SS..Hα-helixtrans-61.5-46.2179.5-60.70000111.1E217 L218 L219 I224 Q225E217-T221 VanDerWaalsContact O-CB 3.28Å; E217-T221 WeakPolarHBondContact O-CB 3.43Å; E217-T221 PolarHBondContact O-N 2.81Å; E217-T221 PolarHBondContact O-OG1 3.21Å; L218-T221 PolarHBondContact O-N 2.75Å; L219-T221 VanDerWaalsContact C-N 3.33Å; L219-T221 PolarHBondContact O-N 3.15Å; T221-I224 PolarHBondContact O-N 3.43Å; T221-Q225 VanDerWaalsContact O-CB 3.24Å; T221-Q225 WeakPolarHBondContact O-CB 3.5Å; T221-Q225 PolarHBondContact O-N 2.93Å
222N96.7Very high96.1Very high8 Ų851.1 Ų51.14%0.04326%0.255CS..Hα-helixtrans-64.4-41.9178-82.8-36.2000112.3L218 L219 T226 I354 R548 E550L218-N222 WeakPolarHBondContact O-CB 3.45Å; L218-N222 PolarHBondContact O-N 2.86Å; L218-N222 PolarHBondContact O-ND2 3.33Å; L219-N222 PolarHBondContact O-N 2.87Å; N222-T226 WeakPolarHBondContact O-CB 3.42Å; N222-T226 PolarHBondContact O-N 3.02Å; N222-T226 PolarHBondContact O-OG1 3.17Å; N222-I354 HydrophobicContact CB-CD1 3.98Å; N222-R548 PolarHBondContact OD1-NH1 2.71Å; N222-E550 WeakPolarHBondContact ND2-CG 3.46Å; N222-E550 PolarHBondContact ND2-OE1 3.47Å
223I97.9Very high96.5Very high0 Ų046.6 Ų46.60%024%0.238CC..Hα-helixtrans-61.2-53.8175.6-71.5170.1000110.6L219 L220 Q225 T226 L227 I235 L250 W254 V325 I354L219-I223 HydrophobicContact CD1-CD1 3.89Å; L219-I223 HydrophobicContact CD1-CG1 4.36Å; L219-I223 HydrophobicContact CG-CD1 3.85Å; L219-I223 VanDerWaalsContact O-CG1 3.32Å; L219-I223 WeakPolarHBondContact O-CG1 3.38Å; L219-I223 PolarHBondContact O-N 2.81Å; L220-I223 PolarHBondContact O-N 3.48Å; I223-Q225 VanDerWaalsContact C-N 3.31Å; I223-Q225 PolarHBondContact O-N 3.02Å; I223-T226 PolarHBondContact O-N 2.98Å; I223-T226 VanDerWaalsContact O-N 3.16Å; I223-L227 HydrophobicContact CG2-CD1 3.6Å; I223-L227 HydrophobicContact CG2-CG 4.25Å; I223-L227 WeakPolarHBondContact O-CG 3.45Å; I223-L227 PolarHBondContact O-N 3.2Å; I223-I235 HydrophobicContact CD1-CD1 4.07Å; I223-L250 HydrophobicContact CD1-CD2 3.51Å; I223-W254 HydrophobicContact CG2-CH2 3.91Å; I223-W254 HydrophobicContact CG2-CZ3 4.42Å; I223-V325 HydrophobicContact CG2-CG2 3.83Å; I223-I354 HydrophobicContact CG1-CD1 4.27Å
224I96.8Very high96.8Very high30 Ų3038.6 Ų38.615%0.15420%0.203CC..Hα-helixtrans-59.8-43.3-178.5-72.1176000110.8L220 T221 T226 L227 R228 L261L220-I224 HydrophobicContact CD1-CD1 3.63Å; L220-I224 HydrophobicContact CD1-CG1 3.95Å; L220-I224 HydrophobicContact CD2-CD1 4.41Å; L220-I224 HydrophobicContact CG-CD1 3.75Å; L220-I224 HydrophobicContact CG-CG1 4.37Å; L220-I224 WeakPolarHBondContact O-CB 3.36Å; L220-I224 WeakPolarHBondContact O-CG1 3.35Å; L220-I224 PolarHBondContact O-N 2.97Å; T221-I224 PolarHBondContact O-N 3.43Å; I224-T226 VanDerWaalsContact C-N 3.33Å; I224-T226 PolarHBondContact O-N 3Å; I224-L227 PolarHBondContact O-N 3.02Å; I224-R228 HydrophobicContact CG2-CG 4.17Å; I224-R228 VanDerWaalsContact CG2-CZ 3.41Å; I224-R228 VanDerWaalsContact CG2-NE 3.34Å; I224-R228 VanDerWaalsContact O-CB 3.31Å; I224-R228 WeakPolarHBondContact O-CB 3.44Å; I224-R228 VanDerWaalsContact O-CG 3.29Å; I224-R228 WeakPolarHBondContact O-CG 3.43Å; I224-R228 PolarHBondContact O-N 2.83Å; I224-L261 HydrophobicContact CG1-CD2 4.12Å
225Q96.6Very high96.9Very high77 Ų7736.1 Ų36.136%0.3618%0.183SC..Hα-helixtrans-60.4-43.4178180168.612.900111.6T221 I223 N229 R548T221-Q225 VanDerWaalsContact O-CB 3.24Å; T221-Q225 WeakPolarHBondContact O-CB 3.5Å; T221-Q225 PolarHBondContact O-N 2.93Å; I223-Q225 VanDerWaalsContact C-N 3.31Å; I223-Q225 PolarHBondContact O-N 3.02Å; Q225-N229 WeakPolarHBondContact O-CB 3.2Å; Q225-N229 PolarHBondContact O-N 3.43Å; Q225-N229 PolarHBondContact O-ND2 3.29Å; Q225-R548 VanDerWaalsContact CD-NH1 3.26Å
226T97.9Very high97.1Very high6 Ų635.5 Ų35.54%0.03718%0.181CC..Hα-helixtrans-65.1-50179.2-53.80000111.1N222 I223 I224 R228 N229 G230 G231 N232 C233 R350 S352N222-T226 WeakPolarHBondContact O-CB 3.42Å; N222-T226 PolarHBondContact O-N 3.02Å; N222-T226 PolarHBondContact O-OG1 3.17Å; I223-T226 PolarHBondContact O-N 2.98Å; I223-T226 VanDerWaalsContact O-N 3.16Å; I224-T226 VanDerWaalsContact C-N 3.33Å; I224-T226 PolarHBondContact O-N 3Å; T226-R228 PolarHBondContact O-N 3.4Å; T226-N229 PolarHBondContact O-N 3.4Å; T226-G230 PolarHBondContact O-N 3.24Å; T226-G231 PolarHBondContact O-N 3.42Å; T226-G231 VanDerWaalsContact O-N 3.1Å; T226-N232 WeakPolarHBondContact CG2-O 3.32Å; T226-C233 HydrophobicContact CG2-CB 4.11Å; T226-R350 WeakPolarHBondContact CG2-O 3.34Å; T226-S352 WeakPolarHBondContact CB-OG 3.4Å; T226-S352 VanDerWaalsContact CG2-OG 3.27Å; T226-S352 WeakPolarHBondContact CG2-OG 3.36Å; T226-S352 WeakPolarHBondContact OG1-CB 3.45Å; T226-S352 PolarHBondContact OG1-OG 3.32Å
227L97.7Very high97.2Very high2 Ų234.8 Ų34.81%0.0118%0.177CC..Hα-helixtrans-64.4-43-177.6-67173.7000112.4I223 I224 N229 G230 W254 L261 Y264 P323 V325I223-L227 HydrophobicContact CG2-CD1 3.6Å; I223-L227 HydrophobicContact CG2-CG 4.25Å; I223-L227 WeakPolarHBondContact O-CG 3.45Å; I223-L227 PolarHBondContact O-N 3.2Å; I224-L227 PolarHBondContact O-N 3.02Å; L227-N229 PolarHBondContact O-N 2.9Å; L227-G230 WeakPolarHBondContact O-CA 3.48Å; L227-G230 PolarHBondContact O-N 2.82Å; L227-W254 HydrophobicContact CD1-CH2 4.32Å; L227-W254 HydrophobicContact CD1-CZ2 4.28Å; L227-L261 HydrophobicContact CD1-CD2 3.76Å; L227-Y264 HydrophobicContact CB-CD1 4.29Å; L227-Y264 HydrophobicContact CB-CD2 4.11Å; L227-Y264 HydrophobicContact CB-CE1 4.17Å; L227-Y264 HydrophobicContact CB-CE2 4.02Å; L227-Y264 HydrophobicContact CB-CG 4.24Å; L227-Y264 HydrophobicContact CD1-CD2 3.7Å; L227-Y264 HydrophobicContact CD1-CE2 4.33Å; L227-Y264 HydrophobicContact CD1-CG 3.89Å; L227-Y264 HydrophobicContact CD2-CD1 4.28Å; L227-Y264 HydrophobicContact CD2-CG 4.15Å; L227-Y264 HydrophobicContact CG-CD2 4.39Å; L227-Y264 HydrophobicContact CG-CG 4.32Å; L227-P323 HydrophobicContact CD2-CB 3.97Å; L227-P323 HydrophobicContact CD2-CG 4.4Å; L227-V325 HydrophobicContact CD1-CG2 3.86Å; L227-V325 HydrophobicContact CD2-CG2 3.92Å; L227-V325 HydrophobicContact CG-CG2 4.18Å
228R95.8Very high97.3Very high171 Ų17129.9 Ų29.965%0.64515%0.154SC*.Hα-helixtrans-67.1-24.6178.1-72-179179.7170.64113.1I224 T226 G230I224-R228 HydrophobicContact CG2-CG 4.17Å; I224-R228 VanDerWaalsContact CG2-CZ 3.41Å; I224-R228 VanDerWaalsContact CG2-NE 3.34Å; I224-R228 VanDerWaalsContact O-CB 3.31Å; I224-R228 WeakPolarHBondContact O-CB 3.44Å; I224-R228 VanDerWaalsContact O-CG 3.29Å; I224-R228 WeakPolarHBondContact O-CG 3.43Å; I224-R228 PolarHBondContact O-N 2.83Å; T226-R228 PolarHBondContact O-N 3.4Å; R228-G230 PolarHBondContact O-N 3.45Å
229N96.5Very high97.3Very high99 Ų9926.6 Ų26.653%0.52914%0.137SC..THydrogen-bonded Turntrans-81.12.4171.6-69.4-16.4000113Q225 T226 L227 G231Q225-N229 WeakPolarHBondContact O-CB 3.2Å; Q225-N229 PolarHBondContact O-N 3.43Å; Q225-N229 PolarHBondContact O-ND2 3.29Å; T226-N229 PolarHBondContact O-N 3.4Å; L227-N229 PolarHBondContact O-N 2.9Å; N229-G231 VanDerWaalsContact C-N 3.33Å
230G96.9Very high97.3Very high33 Ų3326.6 Ų26.634%0.3414%0.137SC..THydrogen-bonded Turntrans75.518.4-179.900000114.2T226 L227 R228T226-G230 PolarHBondContact O-N 3.24Å; L227-G230 WeakPolarHBondContact O-CA 3.48Å; L227-G230 PolarHBondContact O-N 2.82Å; R228-G230 PolarHBondContact O-N 3.45Å
231G97.9Very high97.3Very high0 Ų024.7 Ų24.70%013%0.127CC..  trans-105.1163.1178.300000113.6T226 N229 P323 R350 N351T226-G231 PolarHBondContact O-N 3.42Å; T226-G231 VanDerWaalsContact O-N 3.1Å; N229-G231 VanDerWaalsContact C-N 3.33Å; G231-P323 WeakPolarHBondContact O-CB 3.25Å; G231-R350 WeakPolarHBondContact CA-O 3.36Å; G231-N351 WeakPolarHBondContact CA-OD1 3.42Å
232N98.4Very high97.3Very high3 Ų321.5 Ų21.52%0.01611%0.107CC..  trans-89.5145.4176.6-54.4-56.1000111.2T226 Q322 P323 K324 W345 N351 S352T226-N232 WeakPolarHBondContact CG2-O 3.32Å; N232-Q322 VanDerWaalsContact ND2-CD 3.28Å; N232-Q322 PolarHBondContact ND2-OE1 3.43Å; N232-Q322 WeakPolarHBondContact OD1-CG 3.27Å; N232-P323 WeakPolarHBondContact OD1-CA 3.5Å; N232-K324 WeakPolarHBondContact CA-O 3.43Å; N232-K324 PolarHBondContact OD1-N 2.72Å; N232-K324 VanDerWaalsContact OD1-N 3.08Å; N232-W345 HydrophobicContact CB-CD2 3.97Å; N232-W345 HydrophobicContact CB-CE3 3.69Å; N232-W345 HydrophobicContact CB-CH2 3.7Å; N232-W345 HydrophobicContact CB-CZ2 3.98Å; N232-W345 HydrophobicContact CB-CZ3 3.56Å; N232-N351 PolarHBondContact N-OD1 2.87Å; N232-N351 VanDerWaalsContact O-CA 3.23Å; N232-N351 WeakPolarHBondContact O-CA 3.37Å; N232-N351 WeakPolarHBondContact O-CB 3.12Å; N232-S352 PolarHBondContact O-N 3.31Å
233C98.4Very high97.3Very high0 Ų021.2 Ų21.20%011%0.106CC..EExtended strand (participates in β ladder)trans-110.4117.6176.6-173.50000109.5T226 K324 V325 V326 S352T226-C233 HydrophobicContact CG2-CB 4.11Å; C233-K324 PolarHBondContact N-O 3.05Å; C233-V325 HydrophobicContact CB-CB 4.42Å; C233-V325 HydrophobicContact CB-CG1 4.25Å; C233-V325 HydrophobicContact CB-CG2 3.95Å; C233-V325 CarbonylContact O-C 3.55Å; C233-V325 WeakPolarHBondContact O-CA 3.33Å; C233-V326 PolarHBondContact O-N 2.71Å; C233-S352 PolarHBondContact SG-OG 3.22Å
234L98.6Very high97.2Very high0 Ų021.3 Ų21.30%011%0.106CC..EExtended strand (participates in β ladder)trans-94.4124.2171.4177.661.3000109.1V236 A328 M333 L341 F342 W345 S352 V353 I354L234-V236 HydrophobicContact CD2-CG2 4.26Å; L234-V236 HydrophobicContact CG-CG2 4.14Å; L234-A328 HydrophobicContact CD1-CB 3.73Å; L234-M333 HydrophobicContact CD2-CE 4Å; L234-L341 HydrophobicContact CD1-CB 4.09Å; L234-L341 HydrophobicContact CD1-CD1 3.85Å; L234-L341 HydrophobicContact CD2-CB 4.13Å; L234-F342 HydrophobicContact CD2-CB 4.1Å; L234-W345 HydrophobicContact CB-CE3 3.9Å; L234-W345 HydrophobicContact CB-CZ3 3.94Å; L234-S352 PolarHBondContact N-O 3.02Å; L234-V353 HydrophobicContact CB-CG2 4.32Å; L234-V353 HydrophobicContact CD2-CG1 4.15Å; L234-V353 HydrophobicContact CD2-CG2 4.31Å; L234-V353 HydrophobicContact CG-CG1 4.41Å; L234-V353 CarbonylContact O-C 3.55Å; L234-V353 WeakPolarHBondContact O-CA 3.42Å; L234-I354 PolarHBondContact O-N 2.97Å
235I98.5Very high97.2Very high0 Ų019.9 Ų19.90%010%0.099CC..EExtended strand (participates in β ladder)trans-108.3112.6171.9-58.7176.3000107L219 I223 L250 V325 V326 L327 A328 I354 T356L219-I235 HydrophobicContact CD1-CD1 4.37Å; I223-I235 HydrophobicContact CD1-CD1 4.07Å; I235-L250 HydrophobicContact CD1-CD1 3.78Å; I235-V325 HydrophobicContact CD1-CG1 3.69Å; I235-V325 HydrophobicContact CG1-CG1 4.18Å; I235-V326 PolarHBondContact N-O 3.15Å; I235-L327 HydrophobicContact CB-CG 4.18Å; I235-L327 HydrophobicContact CD1-CG 4.33Å; I235-L327 HydrophobicContact CG2-CG 4.41Å; I235-L327 WeakPolarHBondContact O-CA 3.49Å; I235-A328 PolarHBondContact O-N 2.89Å; I235-I354 WeakPolarHBondContact CA-O 3.19Å; I235-I354 HydrophobicContact CG1-CB 4.41Å; I235-T356 HydrophobicContact CG2-CG2 3.51Å
236V98.3Very high97.2Very high2 Ų216.2 Ų16.21%0.0128%0.082CC..EExtended strand (participates in β ladder)trans-86.3115.3-179.4-178.40000108.1L234 M333 V353 I354 F355 T356L234-V236 HydrophobicContact CD2-CG2 4.26Å; L234-V236 HydrophobicContact CG-CG2 4.14Å; V236-M333 HydrophobicContact CG1-CG 4.18Å; V236-M333 HydrophobicContact CG2-CE 3.6Å; V236-M333 HydrophobicContact CG2-SD 4.21Å; V236-V353 HydrophobicContact CG2-CG1 3.84Å; V236-I354 PolarHBondContact N-O 3.09Å; V236-F355 HydrophobicContact CB-CD1 4.01Å; V236-F355 HydrophobicContact CB-CE1 4.32Å; V236-F355 HydrophobicContact CG1-CD1 4.18Å; V236-F355 HydrophobicContact CG1-CE1 4.37Å; V236-F355 HydrophobicContact CG2-CD1 4.17Å; V236-F355 HydrophobicContact CG2-CE1 4.05Å; V236-T356 WeakPolarHBondContact O-CG2 3.5Å; V236-T356 PolarHBondContact O-N 3.04Å; V236-T356 PolarHBondContact O-OG1 2.83Å
237V97.3Very high97.2Very high1 Ų115.9 Ų15.91%0.0068%0.08CC..  trans-142.6172.2-172.567.50000110.4V243 L246 L327 A328 S329 H330 T356V237-V243 HydrophobicContact CG1-CB 4.1Å; V237-V243 HydrophobicContact CG1-CG2 3.85Å; V237-V243 HydrophobicContact CG2-CB 3.8Å; V237-V243 HydrophobicContact CG2-CG2 4.34Å; V237-L246 HydrophobicContact CB-CD1 4.33Å; V237-L246 HydrophobicContact CG2-CD1 3.59Å; V237-L327 HydrophobicContact CG1-CB 4.01Å; V237-A328 PolarHBondContact N-O 3.07Å; V237-A328 VanDerWaalsContact N-O 3.09Å; V237-A328 VanDerWaalsContact O-O 3.12Å; V237-S329 CarbonylContact O-C 3.6Å; V237-S329 VanDerWaalsContact O-CA 3.28Å; V237-S329 WeakPolarHBondContact O-CA 3.35Å; V237-H330 PolarHBondContact O-N 3.27Å; V237-H330 VanDerWaalsContact O-N 3.16Å; V237-T356 HydrophobicContact CB-CG2 4.42Å
238D96.5Very high97Very high13 Ų1316.5 Ų16.57%0.078%0.082CC..  trans-78.5174.4174.672.2-68.6000112.8F97 A240 G241 R242 V243F97-D238 HydrophobicContact CE1-CB 3.92Å; F97-D238 HydrophobicContact CZ-CB 4.07Å; F97-D238 WeakPolarHBondContact CZ-OD2 3.24Å; D238-A240 PolarHBondContact OD2-N 2.8Å; D238-G241 VanDerWaalsContact OD2-C 3.3Å; D238-G241 WeakPolarHBondContact OD2-CA 2.94Å; D238-G241 PolarHBondContact OD2-N 3.37Å; D238-R242 VanDerWaalsContact CG-N 3.27Å; D238-R242 VanDerWaalsContact OD1-CA 3.26Å; D238-R242 WeakPolarHBondContact OD1-CA 3.27Å; D238-R242 WeakPolarHBondContact OD1-CB 3.49Å; D238-R242 PolarHBondContact OD1-N 3.01Å; D238-R242 PolarHBondContact OD2-N 3.48Å; D238-V243 WeakPolarHBondContact O-CB 3.44Å; D238-V243 PolarHBondContact OD1-N 3.2Å
239T97.4Very high97Very high1 Ų18.5 Ų8.51%0.0065%0.052CC..SBendtrans-76.9-44.8-171.9-56.40000113.6D100 V243 N270 V272 V276D100-T239 HydrophobicContact CB-CG2 3.57Å; D100-T239 VanDerWaalsContact OD2-CG2 3.24Å; D100-T239 WeakPolarHBondContact OD2-CG2 3.47Å; D100-T239 PolarHBondContact OD2-OG1 3.46Å; T239-V243 WeakPolarHBondContact O-CG1 3.46Å; T239-N270 HydrophobicContact CG2-CB 4.48Å; T239-N270 PolarHBondContact O-ND2 2.64Å; T239-V272 HydrophobicContact CG2-CG2 4.1Å; T239-V276 HydrophobicContact CG2-CG2 4.4Å
240A96.4Very high97Very high0 Ų03.8 Ų3.80%03%0.027CC..SBendtrans-1486.7-165.500000116.1M93 M96 F97 D238 V276M93-A240 HydrophobicContact CB-CB 4.2Å; M93-A240 HydrophobicContact SD-CB 3.9Å; M96-A240 HydrophobicContact CB-CB 4.25Å; F97-A240 HydrophobicContact CD2-CB 3.91Å; F97-A240 HydrophobicContact CE2-CB 3.71Å; F97-A240 HydrophobicContact CZ-CB 4.46Å; D238-A240 PolarHBondContact OD2-N 2.8Å; A240-V276 HydrophobicContact CB-CB 4.41Å; A240-V276 HydrophobicContact CB-CG1 3.71Å; A240-V276 HydrophobicContact CB-CG2 3.81Å
241G96Very high96.9Very high0 Ų03.1 Ų3.10%02%0.016CC..SBendtrans-105.5-93.2178.300000112.1D238 V243 L244D238-G241 VanDerWaalsContact OD2-C 3.3Å; D238-G241 WeakPolarHBondContact OD2-CA 2.94Å; D238-G241 PolarHBondContact OD2-N 3.37Å; G241-V243 VanDerWaalsContact C-N 3.26Å; G241-V243 PolarHBondContact O-N 3.37Å; G241-L244 WeakPolarHBondContact O-CB 3.46Å; G241-L244 WeakPolarHBondContact O-CG 3.42Å; G241-L244 PolarHBondContact O-N 3.13Å
242R96.2Very high96.7Very high5 Ų57.5 Ų7.52%0.0194%0.036CC..THydrogen-bonded Turntrans-68.3-26.3-173-50.2-63-60.4144.311.9112.4H153 M154 D238 L244 E245 L246 F554 E555H153-R242 PolarHBondContact O-NH1 3.41Å; M154-R242 HydrophobicContact CE-CG 4.44Å; D238-R242 VanDerWaalsContact CG-N 3.27Å; D238-R242 VanDerWaalsContact OD1-CA 3.26Å; D238-R242 WeakPolarHBondContact OD1-CA 3.27Å; D238-R242 WeakPolarHBondContact OD1-CB 3.49Å; D238-R242 PolarHBondContact OD1-N 3.01Å; D238-R242 PolarHBondContact OD2-N 3.48Å; R242-L244 PolarHBondContact O-N 3.05Å; R242-L244 VanDerWaalsContact O-N 3.1Å; R242-E245 IonicContact CZ-OE2 3.9Å; R242-E245 IonicContact NH1-OE2 2.84Å; R242-E245 PolarHBondContact NH1-OE2 2.64Å; R242-E245 IonicContact NH2-OE2 3.74Å; R242-E245 PolarHBondContact NH2-OE2 2.95Å; R242-E245 WeakPolarHBondContact O-CB 3.43Å; R242-E245 PolarHBondContact O-N 3.48Å; R242-L246 PolarHBondContact O-N 3.35Å; R242-F554 PolarHBondContact NE-O 2.88Å; R242-F554 PolarHBondContact NH2-O 3.07Å; R242-E555 WeakPolarHBondContact CD-O 3.22Å; R242-E555 PolarHBondContact NE-O 2.77Å
243V97.3Very high96.5Very high2 Ų28.8 Ų8.81%0.0124%0.043CC..Hα-helixtrans-49.9-34.3171.469.80000112.6V237 D238 T239 G241 E245 L246 V247 M268 L327V237-V243 HydrophobicContact CG1-CB 4.1Å; V237-V243 HydrophobicContact CG1-CG2 3.85Å; V237-V243 HydrophobicContact CG2-CB 3.8Å; V237-V243 HydrophobicContact CG2-CG2 4.34Å; D238-V243 WeakPolarHBondContact O-CB 3.44Å; D238-V243 PolarHBondContact OD1-N 3.2Å; T239-V243 WeakPolarHBondContact O-CG1 3.46Å; G241-V243 VanDerWaalsContact C-N 3.26Å; G241-V243 PolarHBondContact O-N 3.37Å; V243-E245 VanDerWaalsContact C-N 3.31Å; V243-E245 PolarHBondContact O-N 3.32Å; V243-L246 PolarHBondContact O-N 3.31Å; V243-L246 VanDerWaalsContact O-N 3.16Å; V243-V247 HydrophobicContact CG2-CG2 3.69Å; V243-V247 WeakPolarHBondContact O-CB 3.39Å; V243-V247 WeakPolarHBondContact O-CG2 3.45Å; V243-V247 PolarHBondContact O-N 3.45Å; V243-M268 HydrophobicContact CG1-CE 4.01Å; V243-M268 HydrophobicContact CG2-CE 3.86Å; V243-M268 HydrophobicContact CG2-CG 4.44Å; V243-M268 HydrophobicContact CG2-SD 4.2Å; V243-L327 HydrophobicContact CG2-CD2 4.23Å
244L96.6Very high96.4Very high2 Ų29 Ų91%0.014%0.044CC..Hα-helixtrans-62.5-36.9179.9-61.9-176.7000112.5M93 I155 G241 R242 Q248 V276 A280 F303M93-L244 HydrophobicContact CE-CD1 4.32Å; I155-L244 HydrophobicContact CG2-CD1 4.06Å; G241-L244 WeakPolarHBondContact O-CB 3.46Å; G241-L244 WeakPolarHBondContact O-CG 3.42Å; G241-L244 PolarHBondContact O-N 3.13Å; R242-L244 PolarHBondContact O-N 3.05Å; R242-L244 VanDerWaalsContact O-N 3.1Å; L244-Q248 WeakPolarHBondContact O-CB 3.37Å; L244-Q248 PolarHBondContact O-N 2.74Å; L244-V276 HydrophobicContact CD2-CG1 4.09Å; L244-A280 HydrophobicContact CD1-CB 4.25Å; L244-A280 HydrophobicContact CD2-CB 3.89Å; L244-F303 HydrophobicContact CB-CE1 3.84Å; L244-F303 HydrophobicContact CB-CZ 4.34Å; L244-F303 HydrophobicContact CD2-CD1 4.2Å; L244-F303 HydrophobicContact CD2-CE1 3.85Å; L244-F303 HydrophobicContact CG-CE1 4.29Å
245E96.1Very high96.1Very high0 Ų014 Ų140%07%0.067CC..Hα-helixtrans-66.4-46.1174.2-165-176.114200111.6R182 H183 R215 R242 V243 Q248 L249R182-E245 HydrophobicContact CB-CG 4.15Å; R182-E245 HydrophobicContact CG-CG 4.44Å; H183-E245 IonicContact CE1-OE2 3.01Å; H183-E245 WeakPolarHBondContact ND1-CB 3.27Å; R215-E245 IonicContact CZ-OE1 2.7Å; R215-E245 IonicContact NH1-OE1 3.82Å; R215-E245 IonicContact NH2-OE1 3.31Å; R215-E245 PolarHBondContact NH2-OE1 2.97Å; R242-E245 IonicContact CZ-OE2 3.9Å; R242-E245 IonicContact NH1-OE2 2.84Å; R242-E245 PolarHBondContact NH1-OE2 2.64Å; R242-E245 IonicContact NH2-OE2 3.74Å; R242-E245 PolarHBondContact NH2-OE2 2.95Å; R242-E245 WeakPolarHBondContact O-CB 3.43Å; R242-E245 PolarHBondContact O-N 3.48Å; V243-E245 VanDerWaalsContact C-N 3.31Å; V243-E245 PolarHBondContact O-N 3.32Å; E245-Q248 PolarHBondContact O-N 3.28Å; E245-L249 WeakPolarHBondContact O-CB 3.47Å; E245-L249 PolarHBondContact O-N 2.97Å
246L97Very high95.9Very high0 Ų017 Ų170%08%0.083CC..Hα-helixtrans-70-43.6-173.1-76.8163.4000111.4L219 V237 R242 V243 Q248 L249 L250 L327 T356 F554L219-L246 HydrophobicContact CD2-CD2 3.95Å; V237-L246 HydrophobicContact CB-CD1 4.33Å; V237-L246 HydrophobicContact CG2-CD1 3.59Å; R242-L246 PolarHBondContact O-N 3.35Å; V243-L246 PolarHBondContact O-N 3.31Å; V243-L246 VanDerWaalsContact O-N 3.16Å; L246-Q248 VanDerWaalsContact C-N 3.33Å; L246-Q248 PolarHBondContact O-N 3.05Å; L246-L249 PolarHBondContact O-N 2.73Å; L246-L250 WeakPolarHBondContact O-CB 3.09Å; L246-L250 VanDerWaalsContact O-CG 3.23Å; L246-L250 WeakPolarHBondContact O-CG 3.2Å; L246-L250 PolarHBondContact O-N 3.36Å; L246-L327 HydrophobicContact CB-CD2 3.84Å; L246-T356 HydrophobicContact CD1-CG2 3.52Å; L246-F554 HydrophobicContact CD1-CB 4.49Å; L246-F554 HydrophobicContact CD2-CD1 3.65Å; L246-F554 HydrophobicContact CD2-CD2 4.05Å; L246-F554 HydrophobicContact CD2-CE1 3.63Å; L246-F554 HydrophobicContact CD2-CE2 4.04Å; L246-F554 HydrophobicContact CD2-CG 3.87Å; L246-F554 HydrophobicContact CD2-CZ 3.84Å; L246-F554 HydrophobicContact CG-CD1 4.21Å; L246-F554 HydrophobicContact CG-CG 4.44Å
247V96.6Very high95.5Very high0 Ų021.7 Ų21.70%011%0.114CC..Hα-helixtrans-61.9-43.7175.9175.50000110.3V243 L249 L250 D251 M268 F305 M308 L327V243-V247 HydrophobicContact CG2-CG2 3.69Å; V243-V247 WeakPolarHBondContact O-CB 3.39Å; V243-V247 WeakPolarHBondContact O-CG2 3.45Å; V243-V247 PolarHBondContact O-N 3.45Å; V247-L249 PolarHBondContact O-N 3.46Å; V247-L250 PolarHBondContact O-N 3.27Å; V247-D251 WeakPolarHBondContact O-CB 3.29Å; V247-D251 PolarHBondContact O-N 3.45Å; V247-M268 HydrophobicContact CG2-CB 4.5Å; V247-M268 HydrophobicContact CG2-CG 4.4Å; V247-M268 HydrophobicContact CG2-SD 3.78Å; V247-F305 HydrophobicContact CB-CE1 4.44Å; V247-F305 HydrophobicContact CB-CZ 4.07Å; V247-F305 HydrophobicContact CG1-CD1 3.93Å; V247-F305 HydrophobicContact CG1-CD2 3.95Å; V247-F305 HydrophobicContact CG1-CE1 3.4Å; V247-F305 VanDerWaalsContact CG1-CE1 3.4Å; V247-F305 HydrophobicContact CG1-CE2 3.41Å; V247-F305 VanDerWaalsContact CG1-CE2 3.41Å; V247-F305 HydrophobicContact CG1-CG 4.18Å; V247-F305 HydrophobicContact CG1-CZ 3.09Å; V247-M308 HydrophobicContact CB-CE 4.13Å; V247-M308 HydrophobicContact CG1-CE 3.59Å; V247-M308 HydrophobicContact CG1-CG 4.11Å; V247-M308 HydrophobicContact CG2-CE 4.02Å; V247-L327 HydrophobicContact CG2-CD2 3.85Å
248Q94.4Very high95.1Very high14 Ų1430.1 Ų30.17%0.06515%0.153CC..Hα-helixtrans-63.2-41.2176.3-169.2-168.819.200112L244 E245 L246 Q252 P302L244-Q248 WeakPolarHBondContact O-CB 3.37Å; L244-Q248 PolarHBondContact O-N 2.74Å; E245-Q248 PolarHBondContact O-N 3.28Å; L246-Q248 VanDerWaalsContact C-N 3.33Å; L246-Q248 PolarHBondContact O-N 3.05Å; Q248-Q252 VanDerWaalsContact O-CG 3.24Å; Q248-Q252 WeakPolarHBondContact O-CG 3.33Å; Q248-Q252 PolarHBondContact O-N 2.9Å; Q248-P302 HydrophobicContact CG-CB 4.48Å
249L95Very high94.8Very high3 Ų330.1 Ų30.12%0.01616%0.155CC..Hα-helixtrans-62-48.5175.3166.961.4000111.2R182 L219 E245 L246 V247 Q252 L253 F554R182-L249 VanDerWaalsContact CZ-CD1 3.48Å; L219-L249 HydrophobicContact CD2-CD2 3.84Å; E245-L249 WeakPolarHBondContact O-CB 3.47Å; E245-L249 PolarHBondContact O-N 2.97Å; L246-L249 PolarHBondContact O-N 2.73Å; V247-L249 PolarHBondContact O-N 3.46Å; L249-Q252 PolarHBondContact O-N 2.85Å; L249-L253 HydrophobicContact CD1-CD1 3.78Å; L249-L253 HydrophobicContact CD1-CG 4.14Å; L249-L253 HydrophobicContact CG-CD1 3.99Å; L249-L253 WeakPolarHBondContact O-CG 3.45Å; L249-L253 PolarHBondContact O-N 3.06Å; L249-F554 HydrophobicContact CD2-CE1 4.06Å; L249-F554 HydrophobicContact CD2-CZ 4.1Å
250L97Very high94.5Very high0 Ų032.1 Ų32.10%018%0.176CC..Hα-helixtrans-71.8-40.6-174.8-66.9168.5000111.8L219 I223 I235 L246 V247 Q252 L253 W254 L266 L327L219-L250 HydrophobicContact CD2-CD2 4.44Å; I223-L250 HydrophobicContact CD1-CD2 3.51Å; I235-L250 HydrophobicContact CD1-CD1 3.78Å; L246-L250 WeakPolarHBondContact O-CB 3.09Å; L246-L250 VanDerWaalsContact O-CG 3.23Å; L246-L250 WeakPolarHBondContact O-CG 3.2Å; L246-L250 PolarHBondContact O-N 3.36Å; V247-L250 PolarHBondContact O-N 3.27Å; L250-Q252 VanDerWaalsContact C-N 3.26Å; L250-Q252 PolarHBondContact O-N 3.33Å; L250-L253 HydrophobicContact CD2-CD1 4.19Å; L250-L253 PolarHBondContact O-N 2.95Å; L250-L253 VanDerWaalsContact O-N 3.07Å; L250-W254 HydrophobicContact CB-CE3 4.42Å; L250-W254 HydrophobicContact CB-CZ3 4.4Å; L250-W254 HydrophobicContact CD2-CZ3 3.95Å; L250-W254 VanDerWaalsContact O-CE3 3.28Å; L250-W254 PolarHBondContact O-N 2.62Å; L250-L266 HydrophobicContact CB-CD1 4.08Å; L250-L266 HydrophobicContact CB-CD2 3.82Å; L250-L266 HydrophobicContact CD1-CD1 4.13Å; L250-L327 HydrophobicContact CD1-CD1 3.72Å; L250-L327 HydrophobicContact CD1-CD2 3.93Å; L250-L327 HydrophobicContact CD1-CG 4.15Å
251D95.3Very high94.4Very high20 Ų2032.2 Ų32.211%0.10718%0.176CC..Hα-helixtrans-61.2-37.2175.6-17279.1000111.4V247 W254 H255 F305 R306 H307V247-D251 WeakPolarHBondContact O-CB 3.29Å; V247-D251 PolarHBondContact O-N 3.45Å; D251-W254 PolarHBondContact O-N 2.82Å; D251-H255 WeakPolarHBondContact O-CB 3.49Å; D251-H255 PolarHBondContact O-N 3.3Å; D251-F305 HydrophobicContact CB-CD1 4.05Å; D251-R306 PolarHBondContact OD1-N 2.95Å; D251-H307 IonicContact OD1-CG 3.76Å; D251-H307 PolarHBondContact OD1-N 3.36Å; D251-H307 IonicContact OD1-ND1 3.99Å; D251-H307 PolarHBondContact OD1-ND1 3.1Å
252Q93.1Very high94.3Very high91 Ų9137.1 Ų37.143%0.42520%0.202SC..Hα-helixtrans-64.1-41172.1-73.9171.68.800112.8R182 Q248 L249 L250 H255 N256R182-Q252 VanDerWaalsContact NH1-OE1 3.13Å; Q248-Q252 VanDerWaalsContact O-CG 3.24Å; Q248-Q252 WeakPolarHBondContact O-CG 3.33Å; Q248-Q252 PolarHBondContact O-N 2.9Å; L249-Q252 PolarHBondContact O-N 2.85Å; L250-Q252 VanDerWaalsContact C-N 3.26Å; L250-Q252 PolarHBondContact O-N 3.33Å; Q252-H255 PolarHBondContact O-N 3Å; Q252-N256 PolarHBondContact O-N 2.87Å
253L94.5Very high94.2Very high31 Ų3142.5 Ų42.516%0.16224%0.235CC..Hα-helixtrans-67.8-37.5177.2-71.4168.7000111.8L220 L249 L250 H255 N256 L261L220-L253 HydrophobicContact CD1-CD1 4.12Å; L220-L253 HydrophobicContact CD1-CD2 4.24Å; L220-L253 HydrophobicContact CD2-CD2 4.03Å; L249-L253 HydrophobicContact CD1-CD1 3.78Å; L249-L253 HydrophobicContact CD1-CG 4.14Å; L249-L253 HydrophobicContact CG-CD1 3.99Å; L249-L253 WeakPolarHBondContact O-CG 3.45Å; L249-L253 PolarHBondContact O-N 3.06Å; L250-L253 HydrophobicContact CD2-CD1 4.19Å; L250-L253 PolarHBondContact O-N 2.95Å; L250-L253 VanDerWaalsContact O-N 3.07Å; L253-H255 VanDerWaalsContact C-N 3.33Å; L253-N256 PolarHBondContact O-N 2.99Å; L253-L261 HydrophobicContact CB-CD1 4.29Å
254W96.2Very high94.1Very high4 Ų444.9 Ų44.92%0.01524%0.244CC..Hα-helixtrans-67.5-34.1174.7-102.6-110000112.5I223 L227 L250 D251 N256 L261 L262 Y264 L266 H307 V325I223-W254 HydrophobicContact CG2-CH2 3.91Å; I223-W254 HydrophobicContact CG2-CZ3 4.42Å; L227-W254 HydrophobicContact CD1-CH2 4.32Å; L227-W254 HydrophobicContact CD1-CZ2 4.28Å; L250-W254 HydrophobicContact CB-CE3 4.42Å; L250-W254 HydrophobicContact CB-CZ3 4.4Å; L250-W254 HydrophobicContact CD2-CZ3 3.95Å; L250-W254 VanDerWaalsContact O-CE3 3.28Å; L250-W254 PolarHBondContact O-N 2.62Å; D251-W254 PolarHBondContact O-N 2.82Å; W254-N256 PolarHBondContact O-N 2.84Å; W254-L261 HydrophobicContact CD2-CB 3.86Å; W254-L261 HydrophobicContact CD2-CD1 4.16Å; W254-L261 HydrophobicContact CE3-CB 4.27Å; W254-L261 HydrophobicContact CE3-CD1 3.68Å; W254-L261 HydrophobicContact CE3-CG 4.48Å; W254-L261 HydrophobicContact CG-CB 4.12Å; W254-L261 HydrophobicContact CH2-CD1 4.3Å; W254-L261 HydrophobicContact CH2-CD2 4.19Å; W254-L261 HydrophobicContact CZ2-CB 4.35Å; W254-L261 HydrophobicContact CZ2-CD2 4.28Å; W254-L261 HydrophobicContact CZ3-CD1 3.77Å; W254-L261 HydrophobicContact CZ3-CD2 4.48Å; W254-L261 PolarHBondContact NE1-O 3.42Å; W254-L262 VanDerWaalsContact O-CD2 3.25Å; W254-L262 WeakPolarHBondContact O-CD2 3.49Å; W254-Y264 PolarHBondContact NE1-O 2.94Å; W254-L266 HydrophobicContact CD2-CB 4.09Å; W254-L266 HydrophobicContact CD2-CD2 3.81Å; W254-L266 HydrophobicContact CD2-CG 4.35Å; W254-L266 HydrophobicContact CE3-CD1 4.43Å; W254-L266 HydrophobicContact CE3-CD2 3.92Å; W254-L266 HydrophobicContact CG-CB 4.4Å; W254-L266 HydrophobicContact CG-CD2 4.07Å; W254-L266 HydrophobicContact CH2-CD1 4.02Å; W254-L266 HydrophobicContact CZ2-CB 3.98Å; W254-L266 HydrophobicContact CZ2-CD1 4.19Å; W254-L266 HydrophobicContact CZ3-CD1 4.15Å; W254-L266 HydrophobicContact CZ3-CD2 4.45Å; W254-H307 HydrophobicContact CB-CB 3.77Å; W254-H307 HydrophobicContact CG-CB 4.18Å; W254-V325 HydrophobicContact CH2-CB 4.17Å; W254-V325 HydrophobicContact CH2-CG2 3.63Å; W254-V325 HydrophobicContact CZ2-CB 4.43Å; W254-V325 HydrophobicContact CZ2-CG2 3.95Å
255H93.5Very high94.2Very high106 Ų10645.8 Ų45.849%0.49125%0.252SS..Hα-helixtrans-68.1-23.2175.2-166.553.1000113D251 Q252 L253 P257 H307D251-H255 WeakPolarHBondContact O-CB 3.49Å; D251-H255 PolarHBondContact O-N 3.3Å; Q252-H255 PolarHBondContact O-N 3Å; L253-H255 VanDerWaalsContact C-N 3.33Å; H255-P257 VanDerWaalsContact O-CD 3.24Å; H255-P257 WeakPolarHBondContact O-CD 3.44Å; H255-H307 AromaticContact CG-CE1 3.86Å; H255-H307 AromaticContact ND1-CE1 3.41Å; H255-H307 PolarHBondContact ND1-CE1 2.96Å; H255-H307 AromaticContact ND1-NE2 3.86Å
256N92.9Very high94.2Very high62 Ų6245.8 Ų45.833%0.33225%0.252SS..  trans-75.4111.9179.1-176.63.3000111.2Q252 L253 W254 E258 A259Q252-N256 PolarHBondContact O-N 2.87Å; L253-N256 PolarHBondContact O-N 2.99Å; W254-N256 PolarHBondContact O-N 2.84Å; N256-E258 PolarHBondContact O-N 3.02Å; N256-E258 WeakPolarHBondContact OD1-CB 3.27Å; N256-E258 PolarHBondContact OD1-N 3.18Å; N256-A259 HydrophobicContact CB-CB 4.48Å; N256-A259 PolarHBondContact O-N 3.1Å
257P89.4Confident94.3Very high100 Ų10045.8 Ų45.865%0.64925%0.252SS*.G310 helixtrans-63.8-28.7-179.427.2-35.3000113H255 A259 G260H255-P257 VanDerWaalsContact O-CD 3.24Å; H255-P257 WeakPolarHBondContact O-CD 3.44Å; P257-A259 PolarHBondContact O-N 3.35Å; P257-G260 PolarHBondContact O-N 3.28Å; P257-G260 VanDerWaalsContact O-N 3.13Å
258E90.1Very high94.4Very high178 Ų17845.9 Ų45.983%0.83225%0.252SS*.G310 helixtrans-65.6-25.3179.8-61.6-176.1166.500112.6N256 G260N256-E258 PolarHBondContact O-N 3.02Å; N256-E258 WeakPolarHBondContact OD1-CB 3.27Å; N256-E258 PolarHBondContact OD1-N 3.18Å; E258-G260 VanDerWaalsContact C-N 3.28Å; E258-G260 PolarHBondContact O-N 3.44Å
259A89.4Confident94.5Very high13 Ų1345.2 Ų45.211%0.10725%0.249CC..G310 helixtrans-73.6-22177.600000112.4N256 P257 L261N256-A259 HydrophobicContact CB-CB 4.48Å; N256-A259 PolarHBondContact O-N 3.1Å; P257-A259 PolarHBondContact O-N 3.35Å; A259-L261 VanDerWaalsContact C-N 3.28Å; A259-L261 HydrophobicContact CB-CD1 3.74Å; A259-L261 HydrophobicContact CB-CG 3.89Å; A259-L261 PolarHBondContact O-N 3.05Å
260G91Very high94.5Very high43 Ų4345.2 Ų45.244%0.44325%0.249SC..THydrogen-bonded Turntrans64.429.5-178.900000113.9P257 E258P257-G260 PolarHBondContact O-N 3.28Å; P257-G260 VanDerWaalsContact O-N 3.13Å; E258-G260 VanDerWaalsContact C-N 3.28Å; E258-G260 PolarHBondContact O-N 3.44Å
261L94.9Very high94.5Very high2 Ų246.3 Ų46.31%0.0126%0.257CS..  trans-90.6-16.3-173.3-70.2169.5000114.4L220 I224 L227 L253 W254 A259 V263 Y264L220-L261 HydrophobicContact CD1-CD1 4.07Å; I224-L261 HydrophobicContact CG1-CD2 4.12Å; L227-L261 HydrophobicContact CD1-CD2 3.76Å; L253-L261 HydrophobicContact CB-CD1 4.29Å; W254-L261 HydrophobicContact CD2-CB 3.86Å; W254-L261 HydrophobicContact CD2-CD1 4.16Å; W254-L261 HydrophobicContact CE3-CB 4.27Å; W254-L261 HydrophobicContact CE3-CD1 3.68Å; W254-L261 HydrophobicContact CE3-CG 4.48Å; W254-L261 HydrophobicContact CG-CB 4.12Å; W254-L261 HydrophobicContact CH2-CD1 4.3Å; W254-L261 HydrophobicContact CH2-CD2 4.19Å; W254-L261 HydrophobicContact CZ2-CB 4.35Å; W254-L261 HydrophobicContact CZ2-CD2 4.28Å; W254-L261 HydrophobicContact CZ3-CD1 3.77Å; W254-L261 HydrophobicContact CZ3-CD2 4.48Å; W254-L261 PolarHBondContact NE1-O 3.42Å; A259-L261 VanDerWaalsContact C-N 3.28Å; A259-L261 HydrophobicContact CB-CD1 3.74Å; A259-L261 HydrophobicContact CB-CG 3.89Å; A259-L261 PolarHBondContact O-N 3.05Å; L261-V263 PolarHBondContact O-N 2.94Å; L261-Y264 HydrophobicContact CD2-CD2 4.14Å; L261-Y264 PolarHBondContact O-N 3.39Å
262L93.6Very high94.5Very high104 Ų10446.3 Ų46.355%0.54526%0.257SS..THydrogen-bonded Turntrans-57.4-19.7-176.5-70.7175.1000114.9W254 Y264W254-L262 VanDerWaalsContact O-CD2 3.25Å; W254-L262 WeakPolarHBondContact O-CD2 3.49Å; L262-Y264 VanDerWaalsContact C-N 3.31Å
263V93.8Very high94.7Very high117 Ų11742 Ų4271%0.70924%0.237SC*.THydrogen-bonded Turntrans-79.8-13.1177.2-61.10000113.3L261L261-V263 PolarHBondContact O-N 2.94Å
264Y96.9Very high94.8Very high53 Ų5345.7 Ų45.721%0.20825%0.252CS..SBendtrans-109.5142.4-177-51.4-64.6000110.8L227 W254 L261 L262 P323L227-Y264 HydrophobicContact CB-CD1 4.29Å; L227-Y264 HydrophobicContact CB-CD2 4.11Å; L227-Y264 HydrophobicContact CB-CE1 4.17Å; L227-Y264 HydrophobicContact CB-CE2 4.02Å; L227-Y264 HydrophobicContact CB-CG 4.24Å; L227-Y264 HydrophobicContact CD1-CD2 3.7Å; L227-Y264 HydrophobicContact CD1-CE2 4.33Å; L227-Y264 HydrophobicContact CD1-CG 3.89Å; L227-Y264 HydrophobicContact CD2-CD1 4.28Å; L227-Y264 HydrophobicContact CD2-CG 4.15Å; L227-Y264 HydrophobicContact CG-CD2 4.39Å; L227-Y264 HydrophobicContact CG-CG 4.32Å; W254-Y264 PolarHBondContact NE1-O 2.94Å; L261-Y264 HydrophobicContact CD2-CD2 4.14Å; L261-Y264 PolarHBondContact O-N 3.39Å; L262-Y264 VanDerWaalsContact C-N 3.31Å; Y264-P323 HydrophobicContact CD1-CG 3.61Å; Y264-P323 HydrophobicContact CE1-CG 3.62Å
265A96.9Very high94.8Very high20 Ų2047.7 Ų47.717%0.16526%0.263CS..EExtended strand (participates in β ladder)trans-77.2142.9177.100000111.4I320 K324 V325A265-I320 HydrophobicContact CB-CG2 3.31Å; A265-K324 HydrophobicContact CB-CB 3.95Å; A265-K324 WeakPolarHBondContact O-CA 3.34Å; A265-V325 PolarHBondContact O-N 3.02Å
266L97.9Very high94.9Very high1 Ų142.7 Ų42.71%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-121.8122.8174.9178.164.7000108L250 W254 M308 Q309 V325 L327L250-L266 HydrophobicContact CB-CD1 4.08Å; L250-L266 HydrophobicContact CB-CD2 3.82Å; L250-L266 HydrophobicContact CD1-CD1 4.13Å; W254-L266 HydrophobicContact CD2-CB 4.09Å; W254-L266 HydrophobicContact CD2-CD2 3.81Å; W254-L266 HydrophobicContact CD2-CG 4.35Å; W254-L266 HydrophobicContact CE3-CD1 4.43Å; W254-L266 HydrophobicContact CE3-CD2 3.92Å; W254-L266 HydrophobicContact CG-CB 4.4Å; W254-L266 HydrophobicContact CG-CD2 4.07Å; W254-L266 HydrophobicContact CH2-CD1 4.02Å; W254-L266 HydrophobicContact CZ2-CB 3.98Å; W254-L266 HydrophobicContact CZ2-CD1 4.19Å; W254-L266 HydrophobicContact CZ3-CD1 4.15Å; W254-L266 HydrophobicContact CZ3-CD2 4.45Å; L266-M308 HydrophobicContact CD1-CE 3.83Å; L266-M308 HydrophobicContact CD1-SD 4.42Å; L266-M308 HydrophobicContact CD2-CE 3.47Å; L266-M308 VanDerWaalsContact CD2-CE 3.47Å; L266-M308 HydrophobicContact CD2-SD 4.21Å; L266-M308 HydrophobicContact CG-CE 3.37Å; L266-M308 HydrophobicContact CG-SD 3.68Å; L266-Q309 PolarHBondContact O-N 3.45Å; L266-V325 HydrophobicContact CD1-CB 3.96Å; L266-V325 HydrophobicContact CD1-CG1 4.04Å; L266-L327 HydrophobicContact CD1-CD1 3.97Å
267V98.2Very high95.1Very high0 Ų039.9 Ų39.90%023%0.225CC..EExtended strand (participates in β ladder)trans-130.9136.3-170-171.40000111Q309 C311 L317 I320 V325 V326 L327V267-Q309 CarbonylContact C-O 3.56Å; V267-Q309 VanDerWaalsContact CA-O 3.27Å; V267-Q309 WeakPolarHBondContact CA-O 3.12Å; V267-Q309 HydrophobicContact CG2-CB 4.39Å; V267-C311 HydrophobicContact CG1-CB 3.84Å; V267-C311 VanDerWaalsContact CG1-SG 3.54Å; V267-L317 HydrophobicContact CB-CD1 4.23Å; V267-L317 HydrophobicContact CG1-CD1 3.92Å; V267-L317 HydrophobicContact CG2-CD1 4.07Å; V267-I320 HydrophobicContact CG1-CD1 4.43Å; V267-I320 HydrophobicContact CG2-CD1 3.77Å; V267-I320 HydrophobicContact CG2-CG2 4.42Å; V267-V325 PolarHBondContact N-O 2.91Å; V267-V326 HydrophobicContact CB-CG1 4.47Å; V267-V326 HydrophobicContact CB-CG2 4.14Å; V267-V326 HydrophobicContact CG2-CG2 4.47Å; V267-V326 CarbonylContact O-C 3.54Å; V267-V326 WeakPolarHBondContact O-CA 3.49Å; V267-L327 WeakPolarHBondContact O-CD1 3.39Å; V267-L327 PolarHBondContact O-N 3.26Å
268M98.1Very high95.4Very high2 Ų238.7 Ų38.71%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-106.2125.2166.2176177.7174.800108.2V243 V247 N270 A273 V276 V277 M308 Q309 L310 C311V243-M268 HydrophobicContact CG1-CE 4.01Å; V243-M268 HydrophobicContact CG2-CE 3.86Å; V243-M268 HydrophobicContact CG2-CG 4.44Å; V243-M268 HydrophobicContact CG2-SD 4.2Å; V247-M268 HydrophobicContact CG2-CB 4.5Å; V247-M268 HydrophobicContact CG2-CG 4.4Å; V247-M268 HydrophobicContact CG2-SD 3.78Å; M268-N270 WeakPolarHBondContact CE-ND2 3.35Å; M268-A273 HydrophobicContact CG-CB 4.5Å; M268-V276 HydrophobicContact CE-CB 4.26Å; M268-V276 HydrophobicContact CE-CG1 3.94Å; M268-V277 HydrophobicContact SD-CG2 4.05Å; M268-M308 HydrophobicContact CB-CG 4.11Å; M268-M308 HydrophobicContact CB-SD 3.79Å; M268-M308 PolarHBondContact N-SD 2.87Å; M268-Q309 PolarHBondContact N-O 3.25Å; M268-L310 HydrophobicContact CB-CD2 3.97Å; M268-L310 HydrophobicContact CG-CD2 4.49Å; M268-L310 HydrophobicContact SD-CD2 4.35Å; M268-C311 PolarHBondContact O-N 3.18Å
269M96.9Very high95.7Very high0 Ų031.2 Ų31.20%018%0.176CC..EExtended strand (participates in β ladder)trans-130.2111.6-169.4-167.3-178.7-17100112.1C311 S313 L314 L317 V326 L327 A328 S329 F337 L341M269-C311 WeakPolarHBondContact CA-O 3.4Å; M269-C311 HydrophobicContact CG-CB 4.19Å; M269-S313 WeakPolarHBondContact CE-O 3.4Å; M269-L314 HydrophobicContact CE-CD2 4Å; M269-L314 HydrophobicContact CE-CG 4.32Å; M269-L317 HydrophobicContact CE-CB 4.3Å; M269-L317 HydrophobicContact SD-CB 4.39Å; M269-L317 HydrophobicContact SD-CD2 3.91Å; M269-V326 HydrophobicContact CB-CG1 3.74Å; M269-V326 HydrophobicContact SD-CG1 4.28Å; M269-L327 PolarHBondContact N-O 3.17Å; M269-A328 WeakPolarHBondContact O-CA 3.43Å; M269-S329 PolarHBondContact O-N 3.42Å; M269-F337 HydrophobicContact CE-CB 4.18Å; M269-F337 HydrophobicContact CE-CD1 3.22Å; M269-F337 HydrophobicContact CE-CD2 4.08Å; M269-F337 HydrophobicContact CE-CE1 3.49Å; M269-F337 VanDerWaalsContact CE-CE1 3.49Å; M269-F337 HydrophobicContact CE-CE2 4.29Å; M269-F337 HydrophobicContact CE-CG 3.56Å; M269-F337 HydrophobicContact CE-CZ 4.02Å; M269-F337 HydrophobicContact CG-CB 4.08Å; M269-F337 HydrophobicContact CG-CD1 4.48Å; M269-F337 HydrophobicContact CG-CD2 3.79Å; M269-F337 HydrophobicContact CG-CE2 4.35Å; M269-F337 HydrophobicContact CG-CG 3.86Å; M269-F337 HydrophobicContact SD-CB 3.81Å; M269-F337 HydrophobicContact SD-CD1 4.03Å; M269-F337 HydrophobicContact SD-CD2 4.34Å; M269-F337 HydrophobicContact SD-CG 3.8Å; M269-L341 HydrophobicContact SD-CD1 3.96Å
270N95.9Very high96Very high2 Ų230.6 Ų30.61%0.01117%0.17CC..SBendtrans-160.4167.2168.868.359.2000108.9T239 M268 V272 A273 C311 S329T239-N270 HydrophobicContact CG2-CB 4.48Å; T239-N270 PolarHBondContact O-ND2 2.64Å; M268-N270 WeakPolarHBondContact CE-ND2 3.35Å; N270-V272 PolarHBondContact O-N 2.85Å; N270-V272 VanDerWaalsContact O-N 3.13Å; N270-V272 WeakPolarHBondContact OD1-CA 3.2Å; N270-V272 WeakPolarHBondContact OD1-CG2 3.48Å; N270-V272 PolarHBondContact OD1-N 3.5Å; N270-A273 PolarHBondContact O-N 3.29Å; N270-A273 WeakPolarHBondContact OD1-CA 3.31Å; N270-A273 PolarHBondContact OD1-N 3.42Å; N270-C311 PolarHBondContact N-O 2.98Å; N270-S329 VanDerWaalsContact CB-OG 3.28Å; N270-S329 WeakPolarHBondContact CB-OG 3.35Å
271C95.9Very high96.2Very high24 Ų2430.3 Ų30.316%0.16216%0.157CC..THydrogen-bonded Turntrans-63.8-24-173-56.30000112.3D100 Q103 H312D100-C271 VanDerWaalsContact OD1-CB 3.32Å; D100-C271 WeakPolarHBondContact OD1-CB 3.1Å; D100-C271 PolarHBondContact OD1-N 3.24Å; D100-C271 PolarHBondContact OD1-SG 3.48Å; Q103-C271 HydrophobicContact CB-CB 4.2Å; Q103-C271 HydrophobicContact CG-CB 4.14Å; C271-H312 PolarHBondContact O-ND1 3.38Å
272V96.4Very high96.1Very high19 Ų1933.1 Ų33.112%0.11518%0.177CC..THydrogen-bonded Turntrans-123.428-171.3-64.20000112.4M96 D100 T239 N270 F274 N275 V276M96-V272 HydrophobicContact CB-CG2 3.95Å; M96-V272 HydrophobicContact SD-CB 3.97Å; M96-V272 HydrophobicContact SD-CG1 4.47Å; M96-V272 HydrophobicContact SD-CG2 4.08Å; D100-V272 HydrophobicContact CB-CG2 4Å; T239-V272 HydrophobicContact CG2-CG2 4.1Å; N270-V272 PolarHBondContact O-N 2.85Å; N270-V272 VanDerWaalsContact O-N 3.13Å; N270-V272 WeakPolarHBondContact OD1-CA 3.2Å; N270-V272 WeakPolarHBondContact OD1-CG2 3.48Å; N270-V272 PolarHBondContact OD1-N 3.5Å; V272-F274 VanDerWaalsContact C-N 3.33Å; V272-F274 PolarHBondContact O-N 3.45Å; V272-N275 HydrophobicContact CB-CB 4.47Å; V272-N275 WeakPolarHBondContact O-CB 3.24Å; V272-N275 PolarHBondContact O-N 3.26Å; V272-V276 HydrophobicContact CG2-CG2 4.04Å; V272-V276 WeakPolarHBondContact O-CG2 3.28Å; V272-V276 PolarHBondContact O-N 3.39Å
273A96.1Very high96.1Very high0 Ų028.6 Ų28.60%015%0.153CC..Hα-helixtrans-61.5-42.1-164.900000112.3M268 N270 V276 V277 L310 H312M268-A273 HydrophobicContact CG-CB 4.5Å; N270-A273 PolarHBondContact O-N 3.29Å; N270-A273 WeakPolarHBondContact OD1-CA 3.31Å; N270-A273 PolarHBondContact OD1-N 3.42Å; A273-V276 PolarHBondContact O-N 2.95Å; A273-V277 WeakPolarHBondContact O-CG2 3.45Å; A273-V277 PolarHBondContact O-N 2.89Å; A273-L310 HydrophobicContact CB-CB 4.35Å; A273-H312 PolarHBondContact N-CE1 3.46Å
274F96.6Very high96Very high109 Ų10923.6 Ų23.648%0.47812%0.122SC..Hα-helixtrans-53.2-52.7171.7-179-99.2000112.4V272 V276 V277 E278 L310 H312V272-F274 VanDerWaalsContact C-N 3.33Å; V272-F274 PolarHBondContact O-N 3.45Å; F274-V276 PolarHBondContact O-N 3.42Å; F274-V277 PolarHBondContact O-N 3.43Å; F274-V277 VanDerWaalsContact O-N 3.15Å; F274-E278 HydrophobicContact CD1-CG 4.12Å; F274-E278 HydrophobicContact CD2-CG 4.47Å; F274-E278 HydrophobicContact CE1-CG 3.65Å; F274-E278 HydrophobicContact CE2-CG 4.04Å; F274-E278 HydrophobicContact CZ-CG 3.6Å; F274-E278 WeakPolarHBondContact O-CG 3.23Å; F274-E278 PolarHBondContact O-N 2.94Å; F274-L310 HydrophobicContact CB-CD1 4.39Å; F274-L310 HydrophobicContact CD2-CD1 4.38Å; F274-H312 PolarHBondContact N-CE1 3.5Å
275N96.1Very high95.9Very high47 Ų4727 Ų2725%0.25114%0.14SC..Hα-helixtrans-62.5-41.6-177.6-58.761.2000111.9M96 V272 V277 E278 F279M96-N275 HydrophobicContact SD-CB 3.48Å; M96-N275 WeakPolarHBondContact SD-CB 3.44Å; V272-N275 HydrophobicContact CB-CB 4.47Å; V272-N275 WeakPolarHBondContact O-CB 3.24Å; V272-N275 PolarHBondContact O-N 3.26Å; N275-V277 VanDerWaalsContact C-N 3.29Å; N275-V277 PolarHBondContact O-N 3.31Å; N275-E278 PolarHBondContact O-N 2.82Å; N275-F279 HydrophobicContact CB-CD2 4.39Å; N275-F279 HydrophobicContact CB-CE2 4.07Å; N275-F279 WeakPolarHBondContact O-CD2 3.47Å; N275-F279 WeakPolarHBondContact O-CG 3.21Å; N275-F279 PolarHBondContact O-N 3.49Å
276V97.3Very high95.8Very high0 Ų027.1 Ų27.10%014%0.137CC..Hα-helixtrans-56.6-46.3175.2175.50000110.8M96 T239 A240 L244 M268 V272 A273 F274 A280M96-V276 HydrophobicContact CB-CG2 3.88Å; M96-V276 HydrophobicContact CG-CG2 4Å; T239-V276 HydrophobicContact CG2-CG2 4.4Å; A240-V276 HydrophobicContact CB-CB 4.41Å; A240-V276 HydrophobicContact CB-CG1 3.71Å; A240-V276 HydrophobicContact CB-CG2 3.81Å; L244-V276 HydrophobicContact CD2-CG1 4.09Å; M268-V276 HydrophobicContact CE-CB 4.26Å; M268-V276 HydrophobicContact CE-CG1 3.94Å; V272-V276 HydrophobicContact CG2-CG2 4.04Å; V272-V276 WeakPolarHBondContact O-CG2 3.28Å; V272-V276 PolarHBondContact O-N 3.39Å; A273-V276 PolarHBondContact O-N 2.95Å; F274-V276 PolarHBondContact O-N 3.42Å; V276-A280 WeakPolarHBondContact O-CB 3.34Å; V276-A280 PolarHBondContact O-N 3.27Å
277V96.6Very high95.7Very high4 Ų427.4 Ų27.42%0.02414%0.138CC..Hα-helixtrans-68-42.1-179.4173.10000111.4M268 A273 F274 N275 A280 K281 F303 F305 L310M268-V277 HydrophobicContact SD-CG2 4.05Å; A273-V277 WeakPolarHBondContact O-CG2 3.45Å; A273-V277 PolarHBondContact O-N 2.89Å; F274-V277 PolarHBondContact O-N 3.43Å; F274-V277 VanDerWaalsContact O-N 3.15Å; N275-V277 VanDerWaalsContact C-N 3.29Å; N275-V277 PolarHBondContact O-N 3.31Å; V277-A280 PolarHBondContact O-N 2.95Å; V277-K281 VanDerWaalsContact O-CG 3.32Å; V277-K281 WeakPolarHBondContact O-CG 3.16Å; V277-K281 PolarHBondContact O-N 2.89Å; V277-F303 WeakPolarHBondContact CG1-O 3.22Å; V277-F305 HydrophobicContact CB-CE2 4.42Å; V277-F305 HydrophobicContact CG1-CD2 4.1Å; V277-F305 HydrophobicContact CG1-CE2 3.79Å; V277-F305 HydrophobicContact CG2-CD2 4.39Å; V277-F305 HydrophobicContact CG2-CE2 3.73Å; V277-L310 HydrophobicContact CB-CD1 4.27Å; V277-L310 HydrophobicContact CG2-CD1 4.11Å; V277-L310 HydrophobicContact CG2-CD2 4.07Å
278E95.9Very high95.5Very high74 Ų7427.5 Ų27.535%0.34614%0.138SC..Hα-helixtrans-63.5-42.7176.1-70.5-54.4121.900112.4F274 N275 A280 K281 S282F274-E278 HydrophobicContact CD1-CG 4.12Å; F274-E278 HydrophobicContact CD2-CG 4.47Å; F274-E278 HydrophobicContact CE1-CG 3.65Å; F274-E278 HydrophobicContact CE2-CG 4.04Å; F274-E278 HydrophobicContact CZ-CG 3.6Å; F274-E278 WeakPolarHBondContact O-CG 3.23Å; F274-E278 PolarHBondContact O-N 2.94Å; N275-E278 PolarHBondContact O-N 2.82Å; E278-A280 PolarHBondContact O-N 2.77Å; E278-K281 WeakPolarHBondContact O-CB 3.22Å; E278-K281 PolarHBondContact O-N 3.16Å; E278-K281 IonicContact OE1-NZ 3.48Å; E278-K281 PolarHBondContact OE1-NZ 3.38Å; E278-S282 PolarHBondContact O-N 3.04Å
279F96Very high95.3Very high22 Ų2230.5 Ų30.510%0.09615%0.154CC..Hα-helixtrans-66.3-38.2174.7-67.7-48.2000112.5R92 M93 M96 N275 K281 S282 Q283 P521R92-F279 HydrophobicContact CB-CG 4.43Å; M93-F279 HydrophobicContact CE-CB 3.82Å; M93-F279 HydrophobicContact SD-CB 4.24Å; M96-F279 HydrophobicContact CE-CE2 3.72Å; M96-F279 HydrophobicContact CG-CD2 3.97Å; M96-F279 HydrophobicContact CG-CE2 4.1Å; M96-F279 HydrophobicContact SD-CD2 4.08Å; M96-F279 HydrophobicContact SD-CE2 3.7Å; N275-F279 HydrophobicContact CB-CD2 4.39Å; N275-F279 HydrophobicContact CB-CE2 4.07Å; N275-F279 WeakPolarHBondContact O-CD2 3.47Å; N275-F279 WeakPolarHBondContact O-CG 3.21Å; N275-F279 PolarHBondContact O-N 3.49Å; F279-K281 PolarHBondContact O-N 2.93Å; F279-S282 PolarHBondContact O-N 3.27Å; F279-S282 PolarHBondContact O-OG 2.98Å; F279-Q283 WeakPolarHBondContact O-CB 3.37Å; F279-Q283 VanDerWaalsContact O-CG 3.27Å; F279-Q283 WeakPolarHBondContact O-CG 3.21Å; F279-Q283 PolarHBondContact O-N 2.93Å; F279-P521 HydrophobicContact CE1-CG 4.34Å; F279-P521 HydrophobicContact CZ-CG 4.32Å
280A95.7Very high95.1Very high0 Ų037.4 Ų37.40%018%0.184CC..Hα-helixtrans-62.3-36174.600000111.4M93 L244 V276 V277 E278 S282 Q283 M287 F303M93-A280 HydrophobicContact CE-CB 4.09Å; L244-A280 HydrophobicContact CD1-CB 4.25Å; L244-A280 HydrophobicContact CD2-CB 3.89Å; V276-A280 WeakPolarHBondContact O-CB 3.34Å; V276-A280 PolarHBondContact O-N 3.27Å; V277-A280 PolarHBondContact O-N 2.95Å; E278-A280 PolarHBondContact O-N 2.77Å; A280-S282 PolarHBondContact O-N 3.08Å; A280-Q283 PolarHBondContact O-N 3.08Å; A280-M287 HydrophobicContact CB-CE 4.32Å; A280-M287 WeakPolarHBondContact O-CE 3.49Å; A280-F303 HydrophobicContact CB-CB 4.38Å; A280-F303 HydrophobicContact CB-CD1 3.73Å; A280-F303 HydrophobicContact CB-CD2 4.21Å; A280-F303 HydrophobicContact CB-CE1 4.13Å; A280-F303 HydrophobicContact CB-CG 3.81Å
281K94.3Very high94.9Very high36 Ų3637.6 Ų37.616%0.15719%0.186CC..Hα-helixtrans-64.5-37.1176.5-73.2171.3-173.4173.40112.8V277 E278 F279 V284 N301 F303 Q304V277-K281 VanDerWaalsContact O-CG 3.32Å; V277-K281 WeakPolarHBondContact O-CG 3.16Å; V277-K281 PolarHBondContact O-N 2.89Å; E278-K281 WeakPolarHBondContact O-CB 3.22Å; E278-K281 PolarHBondContact O-N 3.16Å; E278-K281 IonicContact OE1-NZ 3.48Å; E278-K281 PolarHBondContact OE1-NZ 3.38Å; F279-K281 PolarHBondContact O-N 2.93Å; K281-V284 WeakPolarHBondContact O-CG1 3.28Å; K281-N301 VanDerWaalsContact CA-ND2 3.34Å; K281-N301 WeakPolarHBondContact CA-ND2 3.19Å; K281-N301 WeakPolarHBondContact CB-ND2 3.49Å; K281-N301 PolarHBondContact O-ND2 2.94Å; K281-F303 WeakPolarHBondContact CE-O 3.47Å; K281-F303 HydrophobicContact CG-CB 3.72Å; K281-Q304 VanDerWaalsContact CE-OE1 3.26Å
282S93.1Very high94.7Very high62 Ų6238.8 Ų38.843%0.43419%0.19SC..Hα-helixtrans-83.1-18.2-178.664.20000113.9E278 F279 A280E278-S282 PolarHBondContact O-N 3.04Å; F279-S282 PolarHBondContact O-N 3.27Å; F279-S282 PolarHBondContact O-OG 2.98Å; A280-S282 PolarHBondContact O-N 3.08Å
283Q93.6Very high94.5Very high9 Ų943.8 Ų43.84%0.04221%0.207CC..THydrogen-bonded Turntrans-99.223.7-174.6-66174.3-6.700114.6I155 F279 A280 E285 W286I155-Q283 HydrophobicContact CD1-CB 3.89Å; F279-Q283 WeakPolarHBondContact O-CB 3.37Å; F279-Q283 VanDerWaalsContact O-CG 3.27Å; F279-Q283 WeakPolarHBondContact O-CG 3.21Å; F279-Q283 PolarHBondContact O-N 2.93Å; A280-Q283 PolarHBondContact O-N 3.08Å; Q283-E285 PolarHBondContact O-N 2.94Å; Q283-W286 WeakPolarHBondContact O-CB 3.35Å; Q283-W286 PolarHBondContact O-N 3.49Å
284V92.9Very high94.2Very high11 Ų1146.1 Ų46.17%0.06722%0.223CC..G310 helixtrans-59.2-21.5-178-67.40000114.3K281 W286 M287 I291 F295K281-V284 WeakPolarHBondContact O-CG1 3.28Å; V284-W286 VanDerWaalsContact C-N 3.26Å; V284-W286 PolarHBondContact O-N 3.04Å; V284-M287 HydrophobicContact CG1-SD 4.28Å; V284-M287 WeakPolarHBondContact O-CB 3.31Å; V284-M287 PolarHBondContact O-N 2.7Å; V284-I291 HydrophobicContact CB-CG2 4.31Å; V284-I291 HydrophobicContact CG1-CG2 4.25Å; V284-F295 HydrophobicContact CG2-CD1 3.78Å; V284-F295 HydrophobicContact CG2-CD2 4.44Å; V284-F295 HydrophobicContact CG2-CE1 3.95Å; V284-F295 HydrophobicContact CG2-CG 4.04Å; V284-F295 HydrophobicContact CG2-CZ 4.35Å
285E93.3Very high94Very high124 Ų12444.6 Ų44.658%0.57922%0.217SC*.G310 helixtrans-67.3-2417568.3175.6-173.100113.4Q283 M287Q283-E285 PolarHBondContact O-N 2.94Å; E285-M287 VanDerWaalsContact C-N 3.31Å
286W95.5Very high93.7Very high24 Ų2448.8 Ų48.89%0.09123%0.234CC..G310 helixtrans-88.1-3.5179.5-67.484.2000113.2T87 V88 P89 K130 Y131 I155 Q283 V284T87-W286 HydrophobicContact CG2-CH2 4Å; T87-W286 HydrophobicContact CG2-CZ3 3.81Å; V88-W286 HydrophobicContact CB-CZ2 3.92Å; V88-W286 HydrophobicContact CG2-CZ2 3.97Å; P89-W286 HydrophobicContact CG-CB 3.94Å; P89-W286 HydrophobicContact CG-CD2 3.42Å; P89-W286 VanDerWaalsContact CG-CD2 3.42Å; P89-W286 HydrophobicContact CG-CE3 3.77Å; P89-W286 HydrophobicContact CG-CG 3.45Å; P89-W286 VanDerWaalsContact CG-CG 3.45Å; P89-W286 HydrophobicContact CG-CZ3 4.43Å; K130-W286 HydrophobicContact CG-CZ2 4.4Å; Y131-W286 AromaticContact CD1-CZ3 3.86Å; Y131-W286 HydrophobicContact CD1-CZ3 3.86Å; Y131-W286 AromaticContact CD2-CE3 3.46Å; Y131-W286 HydrophobicContact CD2-CE3 3.46Å; Y131-W286 VanDerWaalsContact CD2-CE3 3.46Å; Y131-W286 HydrophobicContact CD2-CH2 4.43Å; Y131-W286 AromaticContact CD2-CZ3 3.37Å; Y131-W286 HydrophobicContact CD2-CZ3 3.37Å; Y131-W286 HydrophobicContact CE1-CE3 4.38Å; Y131-W286 AromaticContact CE1-CZ3 3.87Å; Y131-W286 HydrophobicContact CE1-CZ3 3.87Å; Y131-W286 HydrophobicContact CE2-CD2 4.41Å; Y131-W286 AromaticContact CE2-CE3 3.21Å; Y131-W286 HydrophobicContact CE2-CE3 3.21Å; Y131-W286 AromaticContact CE2-CZ3 3.44Å; Y131-W286 HydrophobicContact CE2-CZ3 3.44Å; Y131-W286 VanDerWaalsContact CE2-CZ3 3.44Å; Y131-W286 HydrophobicContact CG-CE3 4.18Å; Y131-W286 HydrophobicContact CG-CH2 4.44Å; Y131-W286 AromaticContact CG-CZ3 3.6Å; Y131-W286 HydrophobicContact CG-CZ3 3.6Å; Y131-W286 AromaticContact CZ-CE3 3.7Å; Y131-W286 AromaticContact CZ-CZ3 3.66Å; I155-W286 HydrophobicContact CD1-CB 4.4Å; I155-W286 HydrophobicContact CG1-CB 4.07Å; Q283-W286 WeakPolarHBondContact O-CB 3.35Å; Q283-W286 PolarHBondContact O-N 3.49Å; V284-W286 VanDerWaalsContact C-N 3.26Å; V284-W286 PolarHBondContact O-N 3.04Å
287M95.3Very high93.5Very high7 Ų756.4 Ų56.43%0.03427%0.27CS..SBendtrans-95.2-175.8-173.9-65.4-177.2-178.800111.6I155 H183 A280 V284 E285 I291 F303I155-M287 HydrophobicContact CD1-CE 3.47Å; I155-M287 VanDerWaalsContact CD1-CE 3.47Å; I155-M287 HydrophobicContact CD1-CG 3.96Å; H183-M287 WeakPolarHBondContact O-CA 3.07Å; H183-M287 VanDerWaalsContact O-CB 3.29Å; H183-M287 WeakPolarHBondContact O-CB 3.44Å; A280-M287 HydrophobicContact CB-CE 4.32Å; A280-M287 WeakPolarHBondContact O-CE 3.49Å; V284-M287 HydrophobicContact CG1-SD 4.28Å; V284-M287 WeakPolarHBondContact O-CB 3.31Å; V284-M287 PolarHBondContact O-N 2.7Å; E285-M287 VanDerWaalsContact C-N 3.31Å; M287-I291 HydrophobicContact CB-CB 4.25Å; M287-I291 HydrophobicContact CB-CD1 4.37Å; M287-I291 HydrophobicContact CB-CG2 4.13Å; M287-I291 HydrophobicContact SD-CD1 4.02Å; M287-I291 HydrophobicContact SD-CG2 3.94Å; M287-F303 HydrophobicContact CE-CD2 3.9Å; M287-F303 HydrophobicContact CE-CE2 3.21Å; M287-F303 HydrophobicContact CE-CZ 3.61Å; M287-F303 HydrophobicContact SD-CD2 4.25Å; M287-F303 HydrophobicContact SD-CE2 3.34Å; M287-F303 WeakPolarHBondContact SD-CE2 3.45Å; M287-F303 HydrophobicContact SD-CZ 3.99Å
288S94Very high92.9Very high1 Ų158.8 Ų58.81%0.00730%0.295CS..  trans-61.4150.2178.973.10000112.6H183 N185 K290 I291 L292H183-S288 PolarHBondContact O-N 3.18Å; N185-S288 WeakPolarHBondContact OD1-CA 3.38Å; S288-K290 PolarHBondContact O-N 2.92Å; S288-I291 PolarHBondContact O-N 2.87Å; S288-I291 PolarHBondContact OG-N 2.77Å; S288-L292 PolarHBondContact O-N 2.99Å
289D93.5Very high92.4Very high65 Ų6566 Ų6635%0.34832%0.319SS..Hα-helixtrans-59.5-24.3177.7-29.9-54.1000112.3K180 N185 R293K180-D289 IonicContact NZ-OD2 2.75Å; K180-D289 PolarHBondContact NZ-OD2 3.47Å; N185-D289 PolarHBondContact ND2-OD1 3.32Å; N185-D289 PolarHBondContact OD1-OD2 2.83Å; D289-R293 VanDerWaalsContact CB-NH1 3.32Å; D289-R293 VanDerWaalsContact O-CB 3.32Å; D289-R293 WeakPolarHBondContact O-CB 3.49Å; D289-R293 VanDerWaalsContact O-CG 3.28Å; D289-R293 WeakPolarHBondContact O-CG 3.38Å; D289-R293 PolarHBondContact O-N 2.87Å
290K92.4Very high92Very high145 Ų14569 Ų6963%0.6334%0.336SS*.Hα-helixtrans-66.6-45.7175.8-178.4-176175.4-175.80110.8S288 S294S288-K290 PolarHBondContact O-N 2.92Å; K290-S294 WeakPolarHBondContact O-CB 3.49Å; K290-S294 PolarHBondContact O-N 3.2Å
291I92.2Very high91.7Very high7 Ų770 Ų704%0.03634%0.341CS..Hα-helixtrans-65.6-46.6176.2-73.2-176000109.6H183 V284 M287 S288 R293 S294 F295 P302 F303H183-I291 HydrophobicContact CB-CD1 3.84Å; V284-I291 HydrophobicContact CB-CG2 4.31Å; V284-I291 HydrophobicContact CG1-CG2 4.25Å; M287-I291 HydrophobicContact CB-CB 4.25Å; M287-I291 HydrophobicContact CB-CD1 4.37Å; M287-I291 HydrophobicContact CB-CG2 4.13Å; M287-I291 HydrophobicContact SD-CD1 4.02Å; M287-I291 HydrophobicContact SD-CG2 3.94Å; S288-I291 PolarHBondContact O-N 2.87Å; S288-I291 PolarHBondContact OG-N 2.77Å; I291-R293 PolarHBondContact O-N 3.46Å; I291-S294 PolarHBondContact O-N 3.02Å; I291-F295 WeakPolarHBondContact O-CB 3.32Å; I291-F295 PolarHBondContact O-N 2.89Å; I291-P302 HydrophobicContact CB-CG 4.4Å; I291-P302 HydrophobicContact CD1-CB 4.48Å; I291-P302 HydrophobicContact CD1-CG 3.81Å; I291-P302 HydrophobicContact CG1-CG 3.99Å; I291-P302 HydrophobicContact CG2-CG 3.65Å; I291-F303 HydrophobicContact CD1-CE2 4.43Å
292L92.6Very high91.4Very high48 Ų4869.6 Ų69.625%0.25134%0.343SS..Hα-helixtrans-58.2-47.1180-175.659.4000111.9S288 F295 Q296S288-L292 PolarHBondContact O-N 2.99Å; L292-F295 PolarHBondContact O-N 2.93Å; L292-Q296 HydrophobicContact CD1-CG 4.39Å; L292-Q296 WeakPolarHBondContact O-CB 3.5Å; L292-Q296 WeakPolarHBondContact O-CG 3.46Å; L292-Q296 PolarHBondContact O-N 3.22Å
293R92.4Very high91.4Very high124 Ų12466.6 Ų66.647%0.46832%0.322SS..Hα-helixtrans-62.1-47175.3-76.2-171.1-68.3-933.5112.5D289 I291 F295 Q296 E297D289-R293 VanDerWaalsContact CB-NH1 3.32Å; D289-R293 VanDerWaalsContact O-CB 3.32Å; D289-R293 WeakPolarHBondContact O-CB 3.49Å; D289-R293 VanDerWaalsContact O-CG 3.28Å; D289-R293 WeakPolarHBondContact O-CG 3.38Å; D289-R293 PolarHBondContact O-N 2.87Å; I291-R293 PolarHBondContact O-N 3.46Å; R293-F295 PolarHBondContact O-N 3.5Å; R293-Q296 PolarHBondContact O-N 2.91Å; R293-E297 WeakPolarHBondContact O-CB 3.46Å; R293-E297 WeakPolarHBondContact O-CG 3.37Å; R293-E297 PolarHBondContact O-N 3.41Å
294S90Very high91.3Very high50 Ų5071.6 Ų71.635%0.3535%0.345SS..Hα-helixtrans-57.9-36.4177.31790000112.4K290 I291 G298K290-S294 WeakPolarHBondContact O-CB 3.49Å; K290-S294 PolarHBondContact O-N 3.2Å; I291-S294 PolarHBondContact O-N 3.02Å; S294-G298 WeakPolarHBondContact O-CA 3.42Å; S294-G298 PolarHBondContact O-N 3.45Å
295F90.5Very high91.3Very high77 Ų7772.4 Ų72.434%0.33835%0.348SS..Hα-helixtrans-72.9-45.9176.8-177.7-102000111.9V284 I291 L292 R293 R299 N301V284-F295 HydrophobicContact CG2-CD1 3.78Å; V284-F295 HydrophobicContact CG2-CD2 4.44Å; V284-F295 HydrophobicContact CG2-CE1 3.95Å; V284-F295 HydrophobicContact CG2-CG 4.04Å; V284-F295 HydrophobicContact CG2-CZ 4.35Å; I291-F295 WeakPolarHBondContact O-CB 3.32Å; I291-F295 PolarHBondContact O-N 2.89Å; L292-F295 PolarHBondContact O-N 2.93Å; R293-F295 PolarHBondContact O-N 3.5Å; F295-R299 WeakPolarHBondContact O-CA 3.38Å; F295-R299 PolarHBondContact O-N 3.39Å; F295-N301 HydrophobicContact CD2-CB 4.32Å; F295-N301 HydrophobicContact CE2-CB 4.41Å
296Q91Very high91.3Very high134 Ų13475 Ų7563%0.62635%0.352SS*.Hα-helixtrans-64.9-43.1179.3-73.4174.6-2200112.9L292 R293L292-Q296 HydrophobicContact CD1-CG 4.39Å; L292-Q296 WeakPolarHBondContact O-CB 3.5Å; L292-Q296 WeakPolarHBondContact O-CG 3.46Å; L292-Q296 PolarHBondContact O-N 3.22Å; R293-Q296 PolarHBondContact O-N 2.91Å
297E91.8Very high91.2Very high161 Ų16176.1 Ų76.175%0.75236%0.358SS*.Hα-helixtrans-82.9-44.5-175.6-66.1170.8-171.200112.3R293R293-E297 WeakPolarHBondContact O-CB 3.46Å; R293-E297 WeakPolarHBondContact O-CG 3.37Å; R293-E297 PolarHBondContact O-N 3.41Å
298G85.5Confident91.3Very high53 Ų5376.6 Ų76.655%0.54636%0.361SS..Hα-helixtrans-104.3-5.5-171.300000115.3S294 N300S294-G298 WeakPolarHBondContact O-CA 3.42Å; S294-G298 PolarHBondContact O-N 3.45Å; G298-N300 PolarHBondContact O-N 2.91Å
299R84.7Confident91.4Very high226 Ų22680.8 Ų80.885%0.85338%0.38SS*.  trans49.225.6-165.7-62.5-173.5177.4-175.5-1.6113.1F295F295-R299 WeakPolarHBondContact O-CA 3.38Å; F295-R299 PolarHBondContact O-N 3.39Å
300N87.1Confident91.6Very high84 Ų8480.1 Ų80.145%0.44938%0.377SS..  trans-96.7111.3-176.2-171.619.3000109.2G298G298-N300 PolarHBondContact O-N 2.91Å
301N90Very high91.8Very high21 Ų2173.4 Ų73.411%0.11235%0.348CS..  trans-87.2121.1176.7-166.3-47.7000109.7K281 F295 F303 Q304K281-N301 VanDerWaalsContact CA-ND2 3.34Å; K281-N301 WeakPolarHBondContact CA-ND2 3.19Å; K281-N301 WeakPolarHBondContact CB-ND2 3.49Å; K281-N301 PolarHBondContact O-ND2 2.94Å; F295-N301 HydrophobicContact CD2-CB 4.32Å; F295-N301 HydrophobicContact CE2-CB 4.41Å; N301-F303 PolarHBondContact O-N 2.93Å; N301-F303 VanDerWaalsContact O-N 3.14Å; N301-F303 WeakPolarHBondContact OD1-CB 3.34Å; N301-F303 PolarHBondContact OD1-N 2.78Å; N301-Q304 HydrophobicContact CB-CB 4.25Å; N301-Q304 WeakPolarHBondContact O-CB 3.06Å; N301-Q304 PolarHBondContact O-N 3.16Å
302P88.1Confident91.9Very high28 Ų2876.1 Ų76.118%0.18236%0.36CS..THydrogen-bonded Turntrans-66.5-14-178.926.3-33.1000114.2Q248 I291 F305Q248-P302 HydrophobicContact CG-CB 4.48Å; I291-P302 HydrophobicContact CB-CG 4.4Å; I291-P302 HydrophobicContact CD1-CB 4.48Å; I291-P302 HydrophobicContact CD1-CG 3.81Å; I291-P302 HydrophobicContact CG1-CG 3.99Å; I291-P302 HydrophobicContact CG2-CG 3.65Å; P302-F305 WeakPolarHBondContact O-CE1 3.39Å
303F92.3Very high92Very high0 Ų075.6 Ų75.60%036%0.36CS..THydrogen-bonded Turntrans-962175.6-59.4-85.1000112.7H183 L244 V277 A280 K281 M287 I291 N301 F305H183-F303 HydrophobicContact CB-CZ 4.43Å; L244-F303 HydrophobicContact CB-CE1 3.84Å; L244-F303 HydrophobicContact CB-CZ 4.34Å; L244-F303 HydrophobicContact CD2-CD1 4.2Å; L244-F303 HydrophobicContact CD2-CE1 3.85Å; L244-F303 HydrophobicContact CG-CE1 4.29Å; V277-F303 WeakPolarHBondContact CG1-O 3.22Å; A280-F303 HydrophobicContact CB-CB 4.38Å; A280-F303 HydrophobicContact CB-CD1 3.73Å; A280-F303 HydrophobicContact CB-CD2 4.21Å; A280-F303 HydrophobicContact CB-CE1 4.13Å; A280-F303 HydrophobicContact CB-CG 3.81Å; K281-F303 WeakPolarHBondContact CE-O 3.47Å; K281-F303 HydrophobicContact CG-CB 3.72Å; M287-F303 HydrophobicContact CE-CD2 3.9Å; M287-F303 HydrophobicContact CE-CE2 3.21Å; M287-F303 HydrophobicContact CE-CZ 3.61Å; M287-F303 HydrophobicContact SD-CD2 4.25Å; M287-F303 HydrophobicContact SD-CE2 3.34Å; M287-F303 WeakPolarHBondContact SD-CE2 3.45Å; M287-F303 HydrophobicContact SD-CZ 3.99Å; I291-F303 HydrophobicContact CD1-CE2 4.43Å; N301-F303 PolarHBondContact O-N 2.93Å; N301-F303 VanDerWaalsContact O-N 3.14Å; N301-F303 WeakPolarHBondContact OD1-CB 3.34Å; N301-F303 PolarHBondContact OD1-N 2.78Å; F303-F305 HydrophobicContact CB-CE1 4.45Å; F303-F305 HydrophobicContact CB-CZ 4.06Å; F303-F305 HydrophobicContact CD1-CE1 4.23Å; F303-F305 HydrophobicContact CD1-CE2 4.5Å; F303-F305 AromaticContact CD1-CZ 3.61Å; F303-F305 HydrophobicContact CD1-CZ 3.61Å; F303-F305 HydrophobicContact CE1-CZ 4.46Å; F303-F305 HydrophobicContact CG-CZ 4.26Å; F303-F305 WeakPolarHBondContact O-CD2 3.48Å; F303-F305 PolarHBondContact O-N 3.3Å
304Q92.5Very high92Very high113 Ų11372 Ų7253%0.52835%0.35SS..SBendtrans-8175.8166-170.863.533.100109.4K281 N301K281-Q304 VanDerWaalsContact CE-OE1 3.26Å; N301-Q304 HydrophobicContact CB-CB 4.25Å; N301-Q304 WeakPolarHBondContact O-CB 3.06Å; N301-Q304 PolarHBondContact O-N 3.16Å
305F93.3Very high92.1Very high28 Ų2872.3 Ų72.312%0.12336%0.356CS..  trans-66.3144.4-175.9-52-52.8000112.4V247 D251 V277 P302 F303 M308V247-F305 HydrophobicContact CB-CE1 4.44Å; V247-F305 HydrophobicContact CB-CZ 4.07Å; V247-F305 HydrophobicContact CG1-CD1 3.93Å; V247-F305 HydrophobicContact CG1-CD2 3.95Å; V247-F305 HydrophobicContact CG1-CE1 3.4Å; V247-F305 VanDerWaalsContact CG1-CE1 3.4Å; V247-F305 HydrophobicContact CG1-CE2 3.41Å; V247-F305 VanDerWaalsContact CG1-CE2 3.41Å; V247-F305 HydrophobicContact CG1-CG 4.18Å; V247-F305 HydrophobicContact CG1-CZ 3.09Å; D251-F305 HydrophobicContact CB-CD1 4.05Å; V277-F305 HydrophobicContact CB-CE2 4.42Å; V277-F305 HydrophobicContact CG1-CD2 4.1Å; V277-F305 HydrophobicContact CG1-CE2 3.79Å; V277-F305 HydrophobicContact CG2-CD2 4.39Å; V277-F305 HydrophobicContact CG2-CE2 3.73Å; P302-F305 WeakPolarHBondContact O-CE1 3.39Å; F303-F305 HydrophobicContact CB-CE1 4.45Å; F303-F305 HydrophobicContact CB-CZ 4.06Å; F303-F305 HydrophobicContact CD1-CE1 4.23Å; F303-F305 HydrophobicContact CD1-CE2 4.5Å; F303-F305 AromaticContact CD1-CZ 3.61Å; F303-F305 HydrophobicContact CD1-CZ 3.61Å; F303-F305 HydrophobicContact CE1-CZ 4.46Å; F303-F305 HydrophobicContact CG-CZ 4.26Å; F303-F305 WeakPolarHBondContact O-CD2 3.48Å; F303-F305 PolarHBondContact O-N 3.3Å; F305-M308 HydrophobicContact CB-CB 3.57Å; F305-M308 HydrophobicContact CD2-CB 4.07Å; F305-M308 HydrophobicContact CD2-CG 4.24Å; F305-M308 HydrophobicContact CG-CB 3.87Å; F305-M308 HydrophobicContact CG-CG 4.5Å
306R92.2Very high92.3Very high179 Ų17971 Ų7168%0.67535%0.351SS*.SBendtrans-107.4-27.7179.2-64.3-177.7-176.9-174.60.3112.6D251D251-R306 PolarHBondContact OD1-N 2.95Å
307H94.4Very high92.5Very high47 Ų4765 Ų6522%0.21832%0.323CS..SBendtrans-118.2-10.5-175-44.593.8000112.7D251 W254 H255D251-H307 IonicContact OD1-CG 3.76Å; D251-H307 PolarHBondContact OD1-N 3.36Å; D251-H307 IonicContact OD1-ND1 3.99Å; D251-H307 PolarHBondContact OD1-ND1 3.1Å; W254-H307 HydrophobicContact CB-CB 3.77Å; W254-H307 HydrophobicContact CG-CB 4.18Å; H255-H307 AromaticContact CG-CE1 3.86Å; H255-H307 AromaticContact ND1-CE1 3.41Å; H255-H307 PolarHBondContact ND1-CE1 2.96Å; H255-H307 AromaticContact ND1-NE2 3.86Å
308M96Very high92.6Very high18 Ų1862.7 Ų62.79%0.08932%0.32CS..EExtended strand (participates in β ladder)trans-82.8128.2176.3-17360.775.700111.1V247 L266 M268 F305 L310 L327V247-M308 HydrophobicContact CB-CE 4.13Å; V247-M308 HydrophobicContact CG1-CE 3.59Å; V247-M308 HydrophobicContact CG1-CG 4.11Å; V247-M308 HydrophobicContact CG2-CE 4.02Å; L266-M308 HydrophobicContact CD1-CE 3.83Å; L266-M308 HydrophobicContact CD1-SD 4.42Å; L266-M308 HydrophobicContact CD2-CE 3.47Å; L266-M308 VanDerWaalsContact CD2-CE 3.47Å; L266-M308 HydrophobicContact CD2-SD 4.21Å; L266-M308 HydrophobicContact CG-CE 3.37Å; L266-M308 HydrophobicContact CG-SD 3.68Å; M268-M308 HydrophobicContact CB-CG 4.11Å; M268-M308 HydrophobicContact CB-SD 3.79Å; M268-M308 PolarHBondContact N-SD 2.87Å; F305-M308 HydrophobicContact CB-CB 3.57Å; F305-M308 HydrophobicContact CD2-CB 4.07Å; F305-M308 HydrophobicContact CD2-CG 4.24Å; F305-M308 HydrophobicContact CG-CB 3.87Å; F305-M308 HydrophobicContact CG-CG 4.5Å; M308-L310 HydrophobicContact CG-CD2 4.14Å; M308-L327 HydrophobicContact CE-CD1 3.81Å
309Q96.4Very high93.1Very high88 Ų8868.9 Ų68.941%0.41133%0.327SS..EExtended strand (participates in β ladder)trans-99.2139.7170.1-63.7178.3-2000109.5L266 V267 M268 I320L266-Q309 PolarHBondContact O-N 3.45Å; V267-Q309 CarbonylContact C-O 3.56Å; V267-Q309 VanDerWaalsContact CA-O 3.27Å; V267-Q309 WeakPolarHBondContact CA-O 3.12Å; V267-Q309 HydrophobicContact CG2-CB 4.39Å; M268-Q309 PolarHBondContact N-O 3.25Å; Q309-I320 HydrophobicContact CB-CD1 4.44Å
310L97.3Very high93.6Very high52 Ų5259.4 Ų59.427%0.27229%0.293SS..EExtended strand (participates in β ladder)trans-100.1133.1176.5-51.2-175.7000108.5M268 A273 F274 V277 M308M268-L310 HydrophobicContact CB-CD2 3.97Å; M268-L310 HydrophobicContact CG-CD2 4.49Å; M268-L310 HydrophobicContact SD-CD2 4.35Å; A273-L310 HydrophobicContact CB-CB 4.35Å; F274-L310 HydrophobicContact CB-CD1 4.39Å; F274-L310 HydrophobicContact CD2-CD1 4.38Å; V277-L310 HydrophobicContact CB-CD1 4.27Å; V277-L310 HydrophobicContact CG2-CD1 4.11Å; V277-L310 HydrophobicContact CG2-CD2 4.07Å; M308-L310 HydrophobicContact CG-CD2 4.14Å
311C97.1Very high94Very high4 Ų465.7 Ų65.73%0.02731%0.31CS..EExtended strand (participates in β ladder)trans-131.3138.9177.4-70.40000111.2V267 M268 M269 N270 E316 I320V267-C311 HydrophobicContact CG1-CB 3.84Å; V267-C311 VanDerWaalsContact CG1-SG 3.54Å; M268-C311 PolarHBondContact O-N 3.18Å; M269-C311 WeakPolarHBondContact CA-O 3.4Å; M269-C311 HydrophobicContact CG-CB 4.19Å; N270-C311 PolarHBondContact N-O 2.98Å; C311-E316 VanDerWaalsContact CA-OE2 3.29Å; C311-E316 WeakPolarHBondContact CA-OE2 3.32Å; C311-E316 HydrophobicContact CB-CB 4.21Å; C311-I320 VanDerWaalsContact SG-CD1 3.5Å
312H95Very high94.2Very high64 Ų6470 Ų7030%0.29633%0.33SS..SBendtrans-113.3-9.5-177.7-58.4-91.6000112.9C271 A273 F274 E316 F337C271-H312 PolarHBondContact O-ND1 3.38Å; A273-H312 PolarHBondContact N-CE1 3.46Å; F274-H312 PolarHBondContact N-CE1 3.5Å; H312-E316 IonicContact CD2-OE2 3.7Å; H312-E316 PolarHBondContact N-OE2 2.98Å; H312-F337 WeakPolarHBondContact O-CZ 3.45Å
313S93.5Very high94.6Very high36 Ų3669.8 Ų69.825%0.25233%0.329SS..SBendtrans-146.3153.4-176.366.90000112.2M269 A315 E316 L317M269-S313 WeakPolarHBondContact CE-O 3.4Å; S313-A315 PolarHBondContact O-N 3.33Å; S313-E316 PolarHBondContact O-N 3.29Å; S313-E316 VanDerWaalsContact OG-CD 3.29Å; S313-E316 WeakPolarHBondContact OG-CG 3.49Å; S313-E316 PolarHBondContact OG-N 3.03Å; S313-E316 PolarHBondContact OG-OE1 2.94Å; S313-L317 PolarHBondContact O-N 2.95Å
314L92.5Very high94.8Very high48 Ų4870 Ų7025%0.25133%0.329SS..Hα-helixtrans-60.8-29.3172.8-72.6173.8000112.1M269 L317 T318 F337 Q340 L341M269-L314 HydrophobicContact CE-CD2 4Å; M269-L314 HydrophobicContact CE-CG 4.32Å; L314-L317 PolarHBondContact O-N 3.19Å; L314-T318 WeakPolarHBondContact O-CB 3.37Å; L314-T318 PolarHBondContact O-N 2.9Å; L314-T318 PolarHBondContact O-OG1 3.03Å; L314-F337 HydrophobicContact CD2-CD1 4.35Å; L314-F337 HydrophobicContact CG-CD1 4.28Å; L314-F337 HydrophobicContact CG-CE1 4.37Å; L314-Q340 HydrophobicContact CD1-CB 4.23Å; L314-Q340 HydrophobicContact CD2-CB 4.44Å; L314-L341 HydrophobicContact CD2-CD2 3.73Å; L314-L341 HydrophobicContact CD2-CG 4.36Å
315A92.3Very high95.1Very high58 Ų5864.6 Ų64.648%0.47930%0.304SS..Hα-helixtrans-65.5-42.1177.300000112S313 T318 R319S313-A315 PolarHBondContact O-N 3.33Å; A315-T318 PolarHBondContact O-N 3.46Å; A315-R319 PolarHBondContact O-N 2.62Å; A315-R319 PolarHBondContact O-NH1 3.5Å
316E94.9Very high95.4Very high50 Ų5063.2 Ų63.223%0.23430%0.298CS..Hα-helixtrans-60.8-47.2171.5-78.2155.3-12400111.8C311 H312 S313 T318 R319C311-E316 VanDerWaalsContact CA-OE2 3.29Å; C311-E316 WeakPolarHBondContact CA-OE2 3.32Å; C311-E316 HydrophobicContact CB-CB 4.21Å; H312-E316 IonicContact CD2-OE2 3.7Å; H312-E316 PolarHBondContact N-OE2 2.98Å; S313-E316 PolarHBondContact O-N 3.29Å; S313-E316 VanDerWaalsContact OG-CD 3.29Å; S313-E316 WeakPolarHBondContact OG-CG 3.49Å; S313-E316 PolarHBondContact OG-N 3.03Å; S313-E316 PolarHBondContact OG-OE1 2.94Å; E316-T318 VanDerWaalsContact C-N 3.26Å; E316-T318 PolarHBondContact O-N 3Å; E316-R319 WeakPolarHBondContact O-CB 3.4Å; E316-R319 PolarHBondContact O-N 3.27Å; E316-R319 VanDerWaalsContact O-N 3.15Å
317L95.6Very high95.7Very high7 Ų754.8 Ų54.84%0.03727%0.267CS..Hα-helixtrans-61.8-37.3-179-173.571.5000111.9V267 M269 S313 L314 R319 I320 K324 V326 L341 W345V267-L317 HydrophobicContact CB-CD1 4.23Å; V267-L317 HydrophobicContact CG1-CD1 3.92Å; V267-L317 HydrophobicContact CG2-CD1 4.07Å; M269-L317 HydrophobicContact CE-CB 4.3Å; M269-L317 HydrophobicContact SD-CB 4.39Å; M269-L317 HydrophobicContact SD-CD2 3.91Å; S313-L317 PolarHBondContact O-N 2.95Å; L314-L317 PolarHBondContact O-N 3.19Å; L317-R319 VanDerWaalsContact C-N 3.25Å; L317-R319 PolarHBondContact O-N 2.94Å; L317-I320 HydrophobicContact CD1-CD1 4.43Å; L317-I320 WeakPolarHBondContact O-CB 3.44Å; L317-I320 PolarHBondContact O-N 3.48Å; L317-I320 VanDerWaalsContact O-N 3.12Å; L317-K324 HydrophobicContact CD1-CD 3.84Å; L317-K324 HydrophobicContact CG-CD 4.35Å; L317-K324 PolarHBondContact O-NZ 3.22Å; L317-V326 HydrophobicContact CD1-CG1 4.47Å; L317-V326 HydrophobicContact CD1-CG2 3.62Å; L317-V326 HydrophobicContact CD2-CG2 4.2Å; L317-L341 HydrophobicContact CD2-CD1 3.99Å; L317-L341 HydrophobicContact CD2-CD2 3.36Å; L317-L341 HydrophobicContact CD2-CG 4.3Å; L317-W345 HydrophobicContact CD2-CZ2 4.33Å
318T94.7Very high95.9Very high112 Ų11252.6 Ų52.669%0.68726%0.256SS*.Hα-helixtrans-64.3-29.6-179.8-580000112.4L314 A315 E316 I320L314-T318 WeakPolarHBondContact O-CB 3.37Å; L314-T318 PolarHBondContact O-N 2.9Å; L314-T318 PolarHBondContact O-OG1 3.03Å; A315-T318 PolarHBondContact O-N 3.46Å; E316-T318 VanDerWaalsContact C-N 3.26Å; E316-T318 PolarHBondContact O-N 3Å; T318-I320 PolarHBondContact O-N 3.12Å
319R95.5Very high95.9Very high183 Ų18351.8 Ų51.869%0.69125%0.252SS*.Hα-helixtrans-69.6-22.3176-65.4-171.2-68.3-96.315113.2A315 E316 L317A315-R319 PolarHBondContact O-N 2.62Å; A315-R319 PolarHBondContact O-NH1 3.5Å; E316-R319 WeakPolarHBondContact O-CB 3.4Å; E316-R319 PolarHBondContact O-N 3.27Å; E316-R319 VanDerWaalsContact O-N 3.15Å; L317-R319 VanDerWaalsContact C-N 3.25Å; L317-R319 PolarHBondContact O-N 2.94Å
320I95.6Very high95.7Very high28 Ų2848.2 Ų48.214%0.14424%0.236CC..SBendtrans-78.2139.3179.5-63.5165.5000109.2A265 V267 Q309 C311 L317 T318 K324A265-I320 HydrophobicContact CB-CG2 3.31Å; V267-I320 HydrophobicContact CG1-CD1 4.43Å; V267-I320 HydrophobicContact CG2-CD1 3.77Å; V267-I320 HydrophobicContact CG2-CG2 4.42Å; Q309-I320 HydrophobicContact CB-CD1 4.44Å; C311-I320 VanDerWaalsContact SG-CD1 3.5Å; L317-I320 HydrophobicContact CD1-CD1 4.43Å; L317-I320 WeakPolarHBondContact O-CB 3.44Å; L317-I320 PolarHBondContact O-N 3.48Å; L317-I320 VanDerWaalsContact O-N 3.12Å; T318-I320 PolarHBondContact O-N 3.12Å; I320-K324 VanDerWaalsContact C-NZ 3.3Å; I320-K324 HydrophobicContact CG2-CD 4.32Å; I320-K324 WeakPolarHBondContact O-CE 3.29Å; I320-K324 PolarHBondContact O-NZ 3.41Å
321R94.2Very high95.5Very high215 Ų21547.6 Ų47.681%0.81123%0.232SC*.PPolyproline II helixtrans-69.7146.2-179.3178.3177.5171.6116.61.1112.3K324R321-K324 VanDerWaalsContact O-CE 3.3Å; R321-K324 WeakPolarHBondContact O-CE 3.36Å
322Q94.1Very high95.4Very high111 Ų11148.4 Ų48.452%0.51924%0.236SC..SBendtrans-93.8151.4169.7-63.7-17524.200111.6N232N232-Q322 VanDerWaalsContact ND2-CD 3.28Å; N232-Q322 PolarHBondContact ND2-OE1 3.43Å; N232-Q322 WeakPolarHBondContact OD1-CG 3.27Å
323P97.1Very high95.5Very high24 Ų2445.3 Ų45.316%0.15622%0.222CC..SBendcis-78.6153.3-0.330.9-31.7000112.8L227 G231 N232 Y264L227-P323 HydrophobicContact CD2-CB 3.97Å; L227-P323 HydrophobicContact CD2-CG 4.4Å; G231-P323 WeakPolarHBondContact O-CB 3.25Å; N232-P323 WeakPolarHBondContact OD1-CA 3.5Å; Y264-P323 HydrophobicContact CD1-CG 3.61Å; Y264-P323 HydrophobicContact CE1-CG 3.62Å
324K97.5Very high95.5Very high4 Ų445.2 Ų45.22%0.01722%0.217CC..EExtended strand (participates in β ladder)trans-143.1162.1-177.169-17575.9-179.70112.6N232 C233 A265 L317 I320 R321 V326 W345N232-K324 WeakPolarHBondContact CA-O 3.43Å; N232-K324 PolarHBondContact OD1-N 2.72Å; N232-K324 VanDerWaalsContact OD1-N 3.08Å; C233-K324 PolarHBondContact N-O 3.05Å; A265-K324 HydrophobicContact CB-CB 3.95Å; A265-K324 WeakPolarHBondContact O-CA 3.34Å; L317-K324 HydrophobicContact CD1-CD 3.84Å; L317-K324 HydrophobicContact CG-CD 4.35Å; L317-K324 PolarHBondContact O-NZ 3.22Å; I320-K324 VanDerWaalsContact C-NZ 3.3Å; I320-K324 HydrophobicContact CG2-CD 4.32Å; I320-K324 WeakPolarHBondContact O-CE 3.29Å; I320-K324 PolarHBondContact O-NZ 3.41Å; R321-K324 VanDerWaalsContact O-CE 3.3Å; R321-K324 WeakPolarHBondContact O-CE 3.36Å; K324-V326 HydrophobicContact CD-CG2 3.94Å; K324-V326 HydrophobicContact CG-CG2 4.01Å; K324-W345 HydrophobicContact CG-CH2 4.3Å
325V98.5Very high95.6Very high0 Ų043 Ų430%021%0.206CC..EExtended strand (participates in β ladder)trans-109.3131169.5-176.20000109.4I223 L227 C233 I235 W254 A265 L266 V267I223-V325 HydrophobicContact CG2-CG2 3.83Å; L227-V325 HydrophobicContact CD1-CG2 3.86Å; L227-V325 HydrophobicContact CD2-CG2 3.92Å; L227-V325 HydrophobicContact CG-CG2 4.18Å; C233-V325 HydrophobicContact CB-CB 4.42Å; C233-V325 HydrophobicContact CB-CG1 4.25Å; C233-V325 HydrophobicContact CB-CG2 3.95Å; C233-V325 CarbonylContact O-C 3.55Å; C233-V325 WeakPolarHBondContact O-CA 3.33Å; I235-V325 HydrophobicContact CD1-CG1 3.69Å; I235-V325 HydrophobicContact CG1-CG1 4.18Å; W254-V325 HydrophobicContact CH2-CB 4.17Å; W254-V325 HydrophobicContact CH2-CG2 3.63Å; W254-V325 HydrophobicContact CZ2-CB 4.43Å; W254-V325 HydrophobicContact CZ2-CG2 3.95Å; A265-V325 PolarHBondContact O-N 3.02Å; L266-V325 HydrophobicContact CD1-CB 3.96Å; L266-V325 HydrophobicContact CD1-CG1 4.04Å; V267-V325 PolarHBondContact N-O 2.91Å
326V98.6Very high95.6Very high0 Ų040.4 Ų40.40%018%0.184CC..EExtended strand (participates in β ladder)trans-126.7122.6179.3-174.90000109.8C233 I235 V267 M269 L317 K324 A328 L341 W345C233-V326 PolarHBondContact O-N 2.71Å; I235-V326 PolarHBondContact N-O 3.15Å; V267-V326 HydrophobicContact CB-CG1 4.47Å; V267-V326 HydrophobicContact CB-CG2 4.14Å; V267-V326 HydrophobicContact CG2-CG2 4.47Å; V267-V326 CarbonylContact O-C 3.54Å; V267-V326 WeakPolarHBondContact O-CA 3.49Å; M269-V326 HydrophobicContact CB-CG1 3.74Å; M269-V326 HydrophobicContact SD-CG1 4.28Å; L317-V326 HydrophobicContact CD1-CG1 4.47Å; L317-V326 HydrophobicContact CD1-CG2 3.62Å; L317-V326 HydrophobicContact CD2-CG2 4.2Å; K324-V326 HydrophobicContact CD-CG2 3.94Å; K324-V326 HydrophobicContact CG-CG2 4.01Å; V326-A328 HydrophobicContact CG1-CB 4.43Å; V326-L341 HydrophobicContact CB-CD1 4.2Å; V326-L341 HydrophobicContact CG1-CD1 3.69Å; V326-W345 HydrophobicContact CB-CH2 4.13Å; V326-W345 HydrophobicContact CB-CZ3 4.45Å; V326-W345 HydrophobicContact CG2-CH2 3.58Å; V326-W345 HydrophobicContact CG2-CZ3 4.32Å
327L98.6Very high95.7Very high2 Ų238.4 Ų38.41%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-89.6114.4166.7-63.486.6000107.6I235 V237 V243 L246 V247 L250 L266 V267 M269 M308I235-L327 HydrophobicContact CB-CG 4.18Å; I235-L327 HydrophobicContact CD1-CG 4.33Å; I235-L327 HydrophobicContact CG2-CG 4.41Å; I235-L327 WeakPolarHBondContact O-CA 3.49Å; V237-L327 HydrophobicContact CG1-CB 4.01Å; V243-L327 HydrophobicContact CG2-CD2 4.23Å; L246-L327 HydrophobicContact CB-CD2 3.84Å; V247-L327 HydrophobicContact CG2-CD2 3.85Å; L250-L327 HydrophobicContact CD1-CD1 3.72Å; L250-L327 HydrophobicContact CD1-CD2 3.93Å; L250-L327 HydrophobicContact CD1-CG 4.15Å; L266-L327 HydrophobicContact CD1-CD1 3.97Å; V267-L327 WeakPolarHBondContact O-CD1 3.39Å; V267-L327 PolarHBondContact O-N 3.26Å; M269-L327 PolarHBondContact N-O 3.17Å; M308-L327 HydrophobicContact CE-CD1 3.81Å
328A98.3Very high95.8Very high0 Ų038.1 Ų38.10%017%0.173CC..EExtended strand (participates in β ladder)trans-119.2136.8-174.300000111.4L234 I235 V237 M269 V326 F337 L341L234-A328 HydrophobicContact CD1-CB 3.73Å; I235-A328 PolarHBondContact O-N 2.89Å; V237-A328 PolarHBondContact N-O 3.07Å; V237-A328 VanDerWaalsContact N-O 3.09Å; V237-A328 VanDerWaalsContact O-O 3.12Å; M269-A328 WeakPolarHBondContact O-CA 3.43Å; V326-A328 HydrophobicContact CG1-CB 4.43Å; A328-F337 HydrophobicContact CB-CB 4.19Å; A328-L341 HydrophobicContact CB-CD1 4.2Å
329S95.7Very high95.8Very high1 Ų133.8 Ų33.81%0.00715%0.145CC..SBendtrans-68162.1-179.760.20000113.4D100 V237 M269 N270 S338D100-S329 WeakPolarHBondContact OD2-CB 2.86Å; D100-S329 PolarHBondContact OD2-OG 3.37Å; V237-S329 CarbonylContact O-C 3.6Å; V237-S329 VanDerWaalsContact O-CA 3.28Å; V237-S329 WeakPolarHBondContact O-CA 3.35Å; M269-S329 PolarHBondContact O-N 3.42Å; N270-S329 VanDerWaalsContact CB-OG 3.28Å; N270-S329 WeakPolarHBondContact CB-OG 3.35Å; S329-S338 WeakPolarHBondContact O-CB 3.29Å; S329-S338 PolarHBondContact O-N 2.91Å; S329-S338 PolarHBondContact O-OG 3.02Å
330H93.6Very high95.8Very high13 Ų1327 Ų276%0.0612%0.12CC..  trans77.798.4-177.4-56.9-78.3000114.6D100 W101 S104 V237 D332 M333 S335 S338D100-H330 IonicContact OD2-NE2 2.68Å; D100-H330 PolarHBondContact OD2-NE2 2.67Å; W101-H330 AromaticContact CD1-CE1 3.44Å; W101-H330 VanDerWaalsContact CD1-CE1 3.44Å; W101-H330 AromaticContact CD1-ND1 3.65Å; S104-H330 PolarHBondContact OG-NE2 3.33Å; V237-H330 PolarHBondContact O-N 3.27Å; V237-H330 VanDerWaalsContact O-N 3.16Å; H330-D332 VanDerWaalsContact C-N 3.33Å; H330-D332 PolarHBondContact O-N 3.44Å; H330-M333 PolarHBondContact O-N 2.99Å; H330-S335 WeakPolarHBondContact CB-O 3.4Å; H330-S338 PolarHBondContact O-OG 2.82Å
331M93.6Very high95.9Very high39 Ų3925.7 Ų25.719%0.19211%0.114CC..THydrogen-bonded Turntrans-67.8-27-179.965.1-163.7-6600114.8R358 A365M331-R358 VanDerWaalsContact CE-O 3.26Å; M331-R358 WeakPolarHBondContact CE-O 3.03Å; M331-A365 WeakPolarHBondContact O-CB 3.32Å
332D95.1Very high96Very high21 Ų2115.4 Ų15.411%0.1128%0.075CC..THydrogen-bonded Turntrans-82-16.5-178.9-71.6-23.2000113.7S38 H330 E334 S359 T363 A365S38-D332 PolarHBondContact OG-OD2 3.34Å; H330-D332 VanDerWaalsContact C-N 3.33Å; H330-D332 PolarHBondContact O-N 3.44Å; D332-E334 HydrophobicContact CB-CG 4.21Å; D332-E334 PolarHBondContact O-N 2.95Å; D332-S359 WeakPolarHBondContact CA-OG 3.2Å; D332-S359 PolarHBondContact OD1-OG 3.39Å; D332-T363 HydrophobicContact CB-CG2 3.82Å; D332-A365 WeakPolarHBondContact O-CB 3.36Å; D332-A365 PolarHBondContact O-N 3.22Å
333M95.6Very high96.1Very high0 Ų011.6 Ų11.60%06%0.058CC..SBendtrans5428.4-174.1-56.7-179.8113.600114.3L234 V236 H330 S338 R339 F342 V353 F355 L364 A365 L368L234-M333 HydrophobicContact CD2-CE 4Å; V236-M333 HydrophobicContact CG1-CG 4.18Å; V236-M333 HydrophobicContact CG2-CE 3.6Å; V236-M333 HydrophobicContact CG2-SD 4.21Å; H330-M333 PolarHBondContact O-N 2.99Å; M333-S338 WeakPolarHBondContact CE-O 3.49Å; M333-R339 HydrophobicContact CB-CB 4.3Å; M333-R339 WeakPolarHBondContact O-CD 3.45Å; M333-R339 WeakPolarHBondContact O-CG 3.47Å; M333-F342 HydrophobicContact CE-CB 3.37Å; M333-F342 HydrophobicContact CE-CD2 4.25Å; M333-F342 HydrophobicContact CE-CG 3.87Å; M333-V353 HydrophobicContact CE-CG1 4.48Å; M333-F355 HydrophobicContact SD-CE1 3.59Å; M333-F355 VanDerWaalsContact SD-CE1 3.59Å; M333-F355 HydrophobicContact SD-CZ 3.88Å; M333-L364 HydrophobicContact CB-CB 4.2Å; M333-L364 HydrophobicContact CB-CD2 4.05Å; M333-L364 HydrophobicContact CB-CG 4.19Å; M333-A365 HydrophobicContact CB-CB 4.32Å; M333-A365 HydrophobicContact CG-CB 4.04Å; M333-A365 HydrophobicContact SD-CB 4.25Å; M333-L368 HydrophobicContact SD-CD1 3.86Å
334E94.6Very high95.9Very high34 Ų3415.6 Ų15.616%0.1598%0.075CC..SBendtrans-83.5-26.6169.5-65.3-54.8133.700111.8L39 D332 R339 T363 L364L39-E334 HydrophobicContact CD2-CG 4.43Å; D332-E334 HydrophobicContact CB-CG 4.21Å; D332-E334 PolarHBondContact O-N 2.95Å; E334-R339 WeakPolarHBondContact O-CD 3.18Å; E334-R339 PolarHBondContact O-NH1 2.92Å; E334-T363 HydrophobicContact CG-CG2 4.28Å; E334-T363 WeakPolarHBondContact OE1-CA 3.34Å; E334-L364 PolarHBondContact OE1-N 3.12Å
335S93.6Very high95.9Very high2 Ų216.1 Ų16.11%0.0148%0.077CC..SBendtrans-142.7177.5175.565.50000111.3H330H330-S335 WeakPolarHBondContact CB-O 3.4Å
336G93.4Very high95.7Very high2 Ų216.1 Ų16.12%0.0218%0.077CC..Hα-helixtrans78.1-174.2169.600000116.3S104 M108 S338 R339 Q340S104-G336 WeakPolarHBondContact OG-CA 3.48Å; M108-G336 VanDerWaalsContact CE-O 3.23Å; M108-G336 WeakPolarHBondContact CE-O 3.25Å; G336-S338 PolarHBondContact O-N 2.7Å; G336-R339 PolarHBondContact O-N 2.91Å; G336-Q340 PolarHBondContact O-N 3.14Å
337F96.3Very high95.5Very high9 Ų921.1 Ų21.14%0.03910%0.102CC..Hα-helixtrans-71.5-29.6-171.8-63.8-62000113.5M269 H312 L314 A328 R339 Q340 L341M269-F337 HydrophobicContact CE-CB 4.18Å; M269-F337 HydrophobicContact CE-CD1 3.22Å; M269-F337 HydrophobicContact CE-CD2 4.08Å; M269-F337 HydrophobicContact CE-CE1 3.49Å; M269-F337 VanDerWaalsContact CE-CE1 3.49Å; M269-F337 HydrophobicContact CE-CE2 4.29Å; M269-F337 HydrophobicContact CE-CG 3.56Å; M269-F337 HydrophobicContact CE-CZ 4.02Å; M269-F337 HydrophobicContact CG-CB 4.08Å; M269-F337 HydrophobicContact CG-CD1 4.48Å; M269-F337 HydrophobicContact CG-CD2 3.79Å; M269-F337 HydrophobicContact CG-CE2 4.35Å; M269-F337 HydrophobicContact CG-CG 3.86Å; M269-F337 HydrophobicContact SD-CB 3.81Å; M269-F337 HydrophobicContact SD-CD1 4.03Å; M269-F337 HydrophobicContact SD-CD2 4.34Å; M269-F337 HydrophobicContact SD-CG 3.8Å; H312-F337 WeakPolarHBondContact O-CZ 3.45Å; L314-F337 HydrophobicContact CD2-CD1 4.35Å; L314-F337 HydrophobicContact CG-CD1 4.28Å; L314-F337 HydrophobicContact CG-CE1 4.37Å; A328-F337 HydrophobicContact CB-CB 4.19Å; F337-R339 VanDerWaalsContact C-N 3.27Å; F337-R339 PolarHBondContact O-N 3Å; F337-Q340 VanDerWaalsContact CD1-OE1 3.29Å; F337-Q340 PolarHBondContact O-N 3.02Å; F337-L341 WeakPolarHBondContact O-CB 3.4Å; F337-L341 VanDerWaalsContact O-CG 3.29Å; F337-L341 WeakPolarHBondContact O-CG 3.43Å; F337-L341 PolarHBondContact O-N 3.41Å
338S97.1Very high95.4Very high0 Ų022.7 Ų22.70%011%0.111CC..Hα-helixtrans-56.9-45.7175.566.10000110.6S329 H330 M333 G336 F342S329-S338 WeakPolarHBondContact O-CB 3.29Å; S329-S338 PolarHBondContact O-N 2.91Å; S329-S338 PolarHBondContact O-OG 3.02Å; H330-S338 PolarHBondContact O-OG 2.82Å; M333-S338 WeakPolarHBondContact CE-O 3.49Å; G336-S338 PolarHBondContact O-N 2.7Å; S338-F342 VanDerWaalsContact O-CB 3.29Å; S338-F342 WeakPolarHBondContact O-CB 3.32Å; S338-F342 PolarHBondContact O-N 2.85Å
339R96.2Very high95.3Very high22 Ų2227 Ų278%0.08314%0.139CC..Hα-helixtrans-62.9-50.2176-172.4-178.1-170.7-163.6-7.9111.9M108 M333 E334 G336 F337 L341 F342 L343 L364 E385M108-R339 HydrophobicContact CE-CB 4.5Å; M333-R339 HydrophobicContact CB-CB 4.3Å; M333-R339 WeakPolarHBondContact O-CD 3.45Å; M333-R339 WeakPolarHBondContact O-CG 3.47Å; E334-R339 WeakPolarHBondContact O-CD 3.18Å; E334-R339 PolarHBondContact O-NH1 2.92Å; G336-R339 PolarHBondContact O-N 2.91Å; F337-R339 VanDerWaalsContact C-N 3.27Å; F337-R339 PolarHBondContact O-N 3Å; R339-L341 PolarHBondContact O-N 2.94Å; R339-F342 PolarHBondContact O-N 3.39Å; R339-L343 HydrophobicContact CG-CD1 4.42Å; R339-L343 VanDerWaalsContact O-CG 3.31Å; R339-L343 WeakPolarHBondContact O-CG 3.15Å; R339-L343 PolarHBondContact O-N 2.84Å; R339-L364 HydrophobicContact CG-CD2 4.46Å; R339-E385 PolarHBondContact NH2-O 2.88Å
340Q94.9Very high95.4Very high39 Ų3933.1 Ų33.118%0.18216%0.162CC..Hα-helixtrans-60.6-48.1-177.2-67.8175.4-9.500111.7M108 L314 G336 F337 F342 L343 E344M108-Q340 HydrophobicContact CE-CG 3.57Å; L314-Q340 HydrophobicContact CD1-CB 4.23Å; L314-Q340 HydrophobicContact CD2-CB 4.44Å; G336-Q340 PolarHBondContact O-N 3.14Å; F337-Q340 VanDerWaalsContact CD1-OE1 3.29Å; F337-Q340 PolarHBondContact O-N 3.02Å; Q340-F342 VanDerWaalsContact C-N 3.32Å; Q340-F342 PolarHBondContact O-N 3.13Å; Q340-L343 PolarHBondContact O-N 3.31Å; Q340-E344 PolarHBondContact O-N 2.88Å
341L96.8Very high95.6Very high1 Ų132.8 Ų32.81%0.00516%0.16CC..Hα-helixtrans-64.9-37.7178.6-65.8176.1000112L234 M269 L314 L317 V326 A328 F337 R339 L343 E344 W345L234-L341 HydrophobicContact CD1-CB 4.09Å; L234-L341 HydrophobicContact CD1-CD1 3.85Å; L234-L341 HydrophobicContact CD2-CB 4.13Å; M269-L341 HydrophobicContact SD-CD1 3.96Å; L314-L341 HydrophobicContact CD2-CD2 3.73Å; L314-L341 HydrophobicContact CD2-CG 4.36Å; L317-L341 HydrophobicContact CD2-CD1 3.99Å; L317-L341 HydrophobicContact CD2-CD2 3.36Å; L317-L341 HydrophobicContact CD2-CG 4.3Å; V326-L341 HydrophobicContact CB-CD1 4.2Å; V326-L341 HydrophobicContact CG1-CD1 3.69Å; A328-L341 HydrophobicContact CB-CD1 4.2Å; F337-L341 WeakPolarHBondContact O-CB 3.4Å; F337-L341 VanDerWaalsContact O-CG 3.29Å; F337-L341 WeakPolarHBondContact O-CG 3.43Å; F337-L341 PolarHBondContact O-N 3.41Å; R339-L341 PolarHBondContact O-N 2.94Å; L341-L343 PolarHBondContact O-N 2.81Å; L341-E344 PolarHBondContact O-N 3.17Å; L341-W345 HydrophobicContact CD1-CH2 4.48Å; L341-W345 HydrophobicContact CD2-CZ2 3.98Å; L341-W345 VanDerWaalsContact O-CB 3.22Å; L341-W345 WeakPolarHBondContact O-CB 3.17Å; L341-W345 VanDerWaalsContact O-CG 3.3Å; L341-W345 PolarHBondContact O-N 3.13Å
342F97.2Very high95.8Very high0 Ų031.1 Ų31.10%015%0.152CC..Hα-helixtrans-59.9-45.8174.3169.1-97.7000112.3L234 M333 S338 R339 Q340 E344 W345 C346 V353 L364 L368 I382 V545L234-F342 HydrophobicContact CD2-CB 4.1Å; M333-F342 HydrophobicContact CE-CB 3.37Å; M333-F342 HydrophobicContact CE-CD2 4.25Å; M333-F342 HydrophobicContact CE-CG 3.87Å; S338-F342 VanDerWaalsContact O-CB 3.29Å; S338-F342 WeakPolarHBondContact O-CB 3.32Å; S338-F342 PolarHBondContact O-N 2.85Å; R339-F342 PolarHBondContact O-N 3.39Å; Q340-F342 VanDerWaalsContact C-N 3.32Å; Q340-F342 PolarHBondContact O-N 3.13Å; F342-E344 PolarHBondContact O-N 2.8Å; F342-W345 PolarHBondContact O-N 3.48Å; F342-C346 HydrophobicContact CD2-CB 3.94Å; F342-C346 HydrophobicContact CE1-CB 4.34Å; F342-C346 HydrophobicContact CE2-CB 3.54Å; F342-C346 HydrophobicContact CG-CB 4.48Å; F342-C346 HydrophobicContact CZ-CB 3.76Å; F342-C346 WeakPolarHBondContact O-CB 3.45Å; F342-C346 PolarHBondContact O-N 3.45Å; F342-C346 PolarHBondContact O-SG 3.39Å; F342-V353 HydrophobicContact CD2-CG2 4.1Å; F342-L364 HydrophobicContact CD1-CD2 4.01Å; F342-L364 HydrophobicContact CE1-CD1 4.31Å; F342-L364 HydrophobicContact CE1-CD2 4.09Å; F342-L368 HydrophobicContact CD1-CD1 4.37Å; F342-L368 HydrophobicContact CD2-CD1 3.94Å; F342-L368 HydrophobicContact CE1-CD1 3.96Å; F342-L368 HydrophobicContact CE1-CD2 4.47Å; F342-L368 HydrophobicContact CE2-CD1 3.49Å; F342-L368 VanDerWaalsContact CE2-CD1 3.49Å; F342-L368 HydrophobicContact CE2-CD2 3.89Å; F342-L368 HydrophobicContact CE2-CG 4.35Å; F342-L368 HydrophobicContact CG-CD1 4.37Å; F342-L368 HydrophobicContact CZ-CD1 3.51Å; F342-L368 HydrophobicContact CZ-CD2 3.56Å; F342-L368 HydrophobicContact CZ-CG 4.18Å; F342-I382 HydrophobicContact CE1-CD1 3.8Å; F342-I382 HydrophobicContact CZ-CD1 3.83Å; F342-V545 HydrophobicContact CE2-CG1 4.35Å; F342-V545 HydrophobicContact CZ-CG1 4.46Å; F342-V545 HydrophobicContact CZ-CG2 4.05Å
343L95.3Very high95.9Very high30 Ų3030.1 Ų30.116%0.15715%0.147CC..Hα-helixtrans-58.4-35.9179.4-65.7170.9000111.7R339 Q340 L341 L384 V386 L543R339-L343 HydrophobicContact CG-CD1 4.42Å; R339-L343 VanDerWaalsContact O-CG 3.31Å; R339-L343 WeakPolarHBondContact O-CG 3.15Å; R339-L343 PolarHBondContact O-N 2.84Å; Q340-L343 PolarHBondContact O-N 3.31Å; L341-L343 PolarHBondContact O-N 2.81Å; L343-L384 HydrophobicContact CD2-CD1 3.96Å; L343-V386 HydrophobicContact CD1-CG1 3.81Å; L343-V386 HydrophobicContact CD1-CG2 4.02Å; L343-V386 HydrophobicContact CD2-CG2 4Å; L343-L543 HydrophobicContact CD2-CD1 3.41Å; L343-L543 VanDerWaalsContact CD2-CD1 3.41Å
344E93.8Very high96Very high108 Ų10830.1 Ų30.151%0.50515%0.147SC..Hα-helixtrans-79.7-38.3177.4-66.5179.7-170.300113.3Q340 L341 F342Q340-E344 PolarHBondContact O-N 2.88Å; L341-E344 PolarHBondContact O-N 3.17Å; F342-E344 PolarHBondContact O-N 2.8Å
345W96.8Very high96.2Very high16 Ų1628.6 Ų28.66%0.06114%0.14CC..Hα-helixtrans-95.5-17.3-167.9-67.64.9000114N232 L234 L317 K324 V326 L341 F342 I347 D348 N351N232-W345 HydrophobicContact CB-CD2 3.97Å; N232-W345 HydrophobicContact CB-CE3 3.69Å; N232-W345 HydrophobicContact CB-CH2 3.7Å; N232-W345 HydrophobicContact CB-CZ2 3.98Å; N232-W345 HydrophobicContact CB-CZ3 3.56Å; L234-W345 HydrophobicContact CB-CE3 3.9Å; L234-W345 HydrophobicContact CB-CZ3 3.94Å; L317-W345 HydrophobicContact CD2-CZ2 4.33Å; K324-W345 HydrophobicContact CG-CH2 4.3Å; V326-W345 HydrophobicContact CB-CH2 4.13Å; V326-W345 HydrophobicContact CB-CZ3 4.45Å; V326-W345 HydrophobicContact CG2-CH2 3.58Å; V326-W345 HydrophobicContact CG2-CZ3 4.32Å; L341-W345 HydrophobicContact CD1-CH2 4.48Å; L341-W345 HydrophobicContact CD2-CZ2 3.98Å; L341-W345 VanDerWaalsContact O-CB 3.22Å; L341-W345 WeakPolarHBondContact O-CB 3.17Å; L341-W345 VanDerWaalsContact O-CG 3.3Å; L341-W345 PolarHBondContact O-N 3.13Å; F342-W345 PolarHBondContact O-N 3.48Å; W345-I347 PolarHBondContact O-N 2.94Å; W345-D348 PolarHBondContact O-N 3.04Å; W345-N351 WeakPolarHBondContact CA-ND2 3.27Å; W345-N351 HydrophobicContact CB-CB 4.35Å; W345-N351 VanDerWaalsContact CB-ND2 3.34Å; W345-N351 WeakPolarHBondContact CB-ND2 3.44Å; W345-N351 PolarHBondContact O-ND2 3.35Å
346C95.7Very high96.3Very high0 Ų028.6 Ų28.60%014%0.14CC..THydrogen-bonded Turntrans-65.2-23.2-17465.60000114.6F342 V545 V546 C547F342-C346 HydrophobicContact CD2-CB 3.94Å; F342-C346 HydrophobicContact CE1-CB 4.34Å; F342-C346 HydrophobicContact CE2-CB 3.54Å; F342-C346 HydrophobicContact CG-CB 4.48Å; F342-C346 HydrophobicContact CZ-CB 3.76Å; F342-C346 WeakPolarHBondContact O-CB 3.45Å; F342-C346 PolarHBondContact O-N 3.45Å; F342-C346 PolarHBondContact O-SG 3.39Å; C346-V545 HydrophobicContact CB-CG1 4.45Å; C346-V546 PolarHBondContact O-N 2.81Å; C346-C547 PolarHBondContact O-N 2.8Å
347I94.5Very high96.4Very high105 Ų10529.2 Ų29.254%0.53814%0.143SC..THydrogen-bonded Turntrans-80.3-18.2-178.259.8170.5000113.6W345W345-I347 PolarHBondContact O-N 2.94Å
348D95.9Very high96.2Very high35 Ų3531.1 Ų31.119%0.18715%0.15CC..  trans-94.7118.6-178-170.6-23.7000110.4W345 R350 N351W345-D348 PolarHBondContact O-N 3.04Å; D348-R350 PolarHBondContact O-N 3.48Å; D348-R350 VanDerWaalsContact O-N 3.14Å; D348-R350 VanDerWaalsContact OD1-CB 3.27Å; D348-R350 WeakPolarHBondContact OD1-CB 3.46Å; D348-R350 WeakPolarHBondContact OD1-CG 3.45Å; D348-R350 IonicContact OD1-CZ 2.7Å; D348-R350 PolarHBondContact OD1-N 3.29Å; D348-R350 IonicContact OD1-NE 3.42Å; D348-R350 PolarHBondContact OD1-NE 3.27Å; D348-R350 IonicContact OD1-NH2 3.95Å; D348-R350 IonicContact OD2-CZ 3.42Å; D348-R350 VanDerWaalsContact OD2-CZ 3.3Å; D348-R350 IonicContact OD2-NE 3.96Å; D348-R350 PolarHBondContact OD2-NE 2.95Å; D348-R350 VanDerWaalsContact OD2-NE 3.11Å; D348-R350 IonicContact OD2-NH2 2.68Å; D348-R350 PolarHBondContact OD2-NH2 3.03Å; D348-N351 WeakPolarHBondContact CB-ND2 3.48Å; D348-N351 PolarHBondContact O-N 3.46Å; D348-N351 VanDerWaalsContact O-N 3.12Å
349P95.6Very high95.9Very high91 Ų9131.4 Ų31.459%0.59115%0.152SC*.THydrogen-bonded Turntrans-62-19.6178.523.2-33.2000114N351 V546P349-N351 VanDerWaalsContact C-N 3.3Å; P349-V546 HydrophobicContact CB-CG1 3.75Å; P349-V546 HydrophobicContact CG-CG1 4.28Å
350R97.1Very high95.5Very high129 Ų12932.8 Ų32.849%0.48716%0.158SC..THydrogen-bonded Turntrans-75.3-24.4179.3-59.7173.6-66.7174.83.8111.7T226 G231 D348T226-R350 WeakPolarHBondContact CG2-O 3.34Å; G231-R350 WeakPolarHBondContact CA-O 3.36Å; D348-R350 PolarHBondContact O-N 3.48Å; D348-R350 VanDerWaalsContact O-N 3.14Å; D348-R350 VanDerWaalsContact OD1-CB 3.27Å; D348-R350 WeakPolarHBondContact OD1-CB 3.46Å; D348-R350 WeakPolarHBondContact OD1-CG 3.45Å; D348-R350 IonicContact OD1-CZ 2.7Å; D348-R350 PolarHBondContact OD1-N 3.29Å; D348-R350 IonicContact OD1-NE 3.42Å; D348-R350 PolarHBondContact OD1-NE 3.27Å; D348-R350 IonicContact OD1-NH2 3.95Å; D348-R350 IonicContact OD2-CZ 3.42Å; D348-R350 VanDerWaalsContact OD2-CZ 3.3Å; D348-R350 IonicContact OD2-NE 3.96Å; D348-R350 PolarHBondContact OD2-NE 2.95Å; D348-R350 VanDerWaalsContact OD2-NE 3.11Å; D348-R350 IonicContact OD2-NH2 2.68Å; D348-R350 PolarHBondContact OD2-NH2 3.03Å
351N98Very high95.2Very high6 Ų633.9 Ų33.93%0.03217%0.173CC..  trans-80158.6-177.8-64.5-17.4000111.6G231 N232 W345 D348 P349 C547 R548G231-N351 WeakPolarHBondContact CA-OD1 3.42Å; N232-N351 PolarHBondContact N-OD1 2.87Å; N232-N351 VanDerWaalsContact O-CA 3.23Å; N232-N351 WeakPolarHBondContact O-CA 3.37Å; N232-N351 WeakPolarHBondContact O-CB 3.12Å; W345-N351 WeakPolarHBondContact CA-ND2 3.27Å; W345-N351 HydrophobicContact CB-CB 4.35Å; W345-N351 VanDerWaalsContact CB-ND2 3.34Å; W345-N351 WeakPolarHBondContact CB-ND2 3.44Å; W345-N351 PolarHBondContact O-ND2 3.35Å; D348-N351 WeakPolarHBondContact CB-ND2 3.48Å; D348-N351 PolarHBondContact O-N 3.46Å; D348-N351 VanDerWaalsContact O-N 3.12Å; P349-N351 VanDerWaalsContact C-N 3.3Å; N351-C547 HydrophobicContact CB-CB 4.2Å; N351-C547 WeakPolarHBondContact O-CB 3.45Å; N351-R548 PolarHBondContact O-N 2.88Å
352S97.8Very high94.8Very high3 Ų335.7 Ų35.72%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-135.2152.1171.465.70000112T226 N232 C233 L234 R548T226-S352 WeakPolarHBondContact CB-OG 3.4Å; T226-S352 VanDerWaalsContact CG2-OG 3.27Å; T226-S352 WeakPolarHBondContact CG2-OG 3.36Å; T226-S352 WeakPolarHBondContact OG1-CB 3.45Å; T226-S352 PolarHBondContact OG1-OG 3.32Å; N232-S352 PolarHBondContact O-N 3.31Å; C233-S352 PolarHBondContact SG-OG 3.22Å; L234-S352 PolarHBondContact N-O 3.02Å; S352-R548 CarbonylContact C-O 3.5Å; S352-R548 VanDerWaalsContact CA-O 3.27Å; S352-R548 WeakPolarHBondContact CA-O 3.48Å
353V98.1Very high94.7Very high0 Ų035.7 Ų35.70%019%0.192CC..EExtended strand (participates in β ladder)trans-124.7119.7175.5-175.80000107.5L234 V236 M333 F342 F355 R548 L549 E550L234-V353 HydrophobicContact CB-CG2 4.32Å; L234-V353 HydrophobicContact CD2-CG1 4.15Å; L234-V353 HydrophobicContact CD2-CG2 4.31Å; L234-V353 HydrophobicContact CG-CG1 4.41Å; L234-V353 CarbonylContact O-C 3.55Å; L234-V353 WeakPolarHBondContact O-CA 3.42Å; V236-V353 HydrophobicContact CG2-CG1 3.84Å; M333-V353 HydrophobicContact CE-CG1 4.48Å; F342-V353 HydrophobicContact CD2-CG2 4.1Å; V353-F355 HydrophobicContact CG1-CE2 3.88Å; V353-F355 HydrophobicContact CG1-CZ 3.9Å; V353-R548 PolarHBondContact N-O 2.99Å; V353-L549 HydrophobicContact CB-CD2 3.87Å; V353-L549 HydrophobicContact CG2-CD2 4.21Å; V353-L549 WeakPolarHBondContact O-CA 3.34Å; V353-E550 PolarHBondContact O-N 3.09Å
354I98.1Very high94.7Very high1 Ų134.4 Ų34.41%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-111.3117.6-179.1-57.3-179000107.9L219 N222 I223 L234 I235 V236 E550 I552L219-I354 HydrophobicContact CD1-CD1 3.85Å; L219-I354 HydrophobicContact CD1-CG2 4.12Å; N222-I354 HydrophobicContact CB-CD1 3.98Å; I223-I354 HydrophobicContact CG1-CD1 4.27Å; L234-I354 PolarHBondContact O-N 2.97Å; I235-I354 WeakPolarHBondContact CA-O 3.19Å; I235-I354 HydrophobicContact CG1-CB 4.41Å; V236-I354 PolarHBondContact N-O 3.09Å; I354-E550 CarbonylContact C-O 3.59Å; I354-E550 WeakPolarHBondContact CA-O 3.34Å; I354-I552 HydrophobicContact CG2-CB 4.34Å; I354-I552 HydrophobicContact CG2-CD1 3.78Å; I354-I552 HydrophobicContact CG2-CG1 3.97Å
355F98Very high94.8Very high2 Ų229.3 Ų29.31%0.00916%0.162CC..EExtended strand (participates in β ladder)trans-87131.6171-63.4-85.5000109.3V236 M333 V353 A365 L368 I369 E550 L551 I552V236-F355 HydrophobicContact CB-CD1 4.01Å; V236-F355 HydrophobicContact CB-CE1 4.32Å; V236-F355 HydrophobicContact CG1-CD1 4.18Å; V236-F355 HydrophobicContact CG1-CE1 4.37Å; V236-F355 HydrophobicContact CG2-CD1 4.17Å; V236-F355 HydrophobicContact CG2-CE1 4.05Å; M333-F355 HydrophobicContact SD-CE1 3.59Å; M333-F355 VanDerWaalsContact SD-CE1 3.59Å; M333-F355 HydrophobicContact SD-CZ 3.88Å; V353-F355 HydrophobicContact CG1-CE2 3.88Å; V353-F355 HydrophobicContact CG1-CZ 3.9Å; F355-A365 HydrophobicContact CD1-CB 4.24Å; F355-A365 HydrophobicContact CE1-CB 3.71Å; F355-L368 HydrophobicContact CE2-CB 3.93Å; F355-L368 HydrophobicContact CZ-CB 3.63Å; F355-L368 HydrophobicContact CZ-CD1 3.83Å; F355-L368 HydrophobicContact CZ-CG 4.4Å; F355-I369 HydrophobicContact CB-CD1 4.12Å; F355-I369 HydrophobicContact CB-CG1 4.08Å; F355-I369 HydrophobicContact CD1-CD1 4.07Å; F355-I369 HydrophobicContact CD1-CG1 4.06Å; F355-I369 HydrophobicContact CD2-CG1 3.78Å; F355-I369 HydrophobicContact CE1-CG1 4.49Å; F355-I369 HydrophobicContact CE2-CG1 4.25Å; F355-I369 HydrophobicContact CG-CD1 4Å; F355-I369 HydrophobicContact CG-CG1 3.69Å; F355-E550 PolarHBondContact N-O 3.41Å; F355-L551 HydrophobicContact CB-CD1 3.78Å; F355-I552 PolarHBondContact O-N 2.9Å
356T96.6Very high94.7Very high2 Ų232.3 Ų32.31%0.01217%0.174CC..SBendtrans-93.2-8.118062.60000112.9I235 V236 V237 L246 I552 F554 E555I235-T356 HydrophobicContact CG2-CG2 3.51Å; V236-T356 WeakPolarHBondContact O-CG2 3.5Å; V236-T356 PolarHBondContact O-N 3.04Å; V236-T356 PolarHBondContact O-OG1 2.83Å; V237-T356 HydrophobicContact CB-CG2 4.42Å; L246-T356 HydrophobicContact CD1-CG2 3.52Å; T356-I552 CarbonylContact C-O 3.6Å; T356-I552 VanDerWaalsContact CA-O 3.25Å; T356-I552 WeakPolarHBondContact CA-O 3.35Å; T356-F554 CarbonylContact O-C 3.46Å; T356-F554 WeakPolarHBondContact O-CA 3.39Å; T356-F554 PolarHBondContact O-N 3.27Å; T356-E555 PolarHBondContact O-N 3.43Å
357S93.8Very high94.7Very high14 Ų1437.7 Ų37.710%0.09819%0.194CC..SBendtrans-157.2156.2-173-58.10000110E555S357-E555 WeakPolarHBondContact OG-CG 3.48Å
358R92.4Very high94.7Very high49 Ų4932.7 Ų32.719%0.18517%0.168CC..  trans-65148.9166.5-70.6167.8-75.1179.1-6.7109.4F203 N204 M331 L551 E555F203-R358 VanDerWaalsContact CE1-NH2 3.29Å; N204-R358 PolarHBondContact OD1-NH2 2.99Å; M331-R358 VanDerWaalsContact CE-O 3.26Å; M331-R358 WeakPolarHBondContact CE-O 3.03Å; R358-L551 HydrophobicContact CG-CD2 4.39Å; R358-E555 VanDerWaalsContact CB-OE1 3.26Å; R358-E555 WeakPolarHBondContact CB-OE1 3.27Å; R358-E555 WeakPolarHBondContact CG-OE1 3.48Å; R358-E555 IonicContact CZ-OE1 3.56Å; R358-E555 IonicContact CZ-OE2 3.74Å; R358-E555 PolarHBondContact N-OE1 2.74Å; R358-E555 IonicContact NE-OE1 3.03Å; R358-E555 PolarHBondContact NE-OE1 2.87Å; R358-E555 IonicContact NE-OE2 3.93Å; R358-E555 IonicContact NH2-OE1 3.61Å; R358-E555 IonicContact NH2-OE2 2.68Å; R358-E555 PolarHBondContact NH2-OE2 2.71Å
359S92.2Very high94.7Very high6 Ų631.7 Ų31.74%0.04216%0.163CC..  trans-115.3159.4174.5173.40000109.3D332 T363 Y366D332-S359 WeakPolarHBondContact CA-OG 3.2Å; D332-S359 PolarHBondContact OD1-OG 3.39Å; S359-T363 PolarHBondContact OG-OG1 2.94Å; S359-Y366 WeakPolarHBondContact O-CD2 3.37Å
360R86.7Confident94.5Very high52 Ų5231.4 Ų31.420%0.19615%0.154CC..  trans-63.6144-178.2-178.7-165.317081.5-6.2112.4T17 D37 G362 T363 Y366T17-R360 VanDerWaalsContact CB-NH1 3.33Å; D37-R360 IonicContact OD2-CZ 3.5Å; D37-R360 IonicContact OD2-NE 2.87Å; D37-R360 IonicContact OD2-NH2 3.68Å; D37-R360 PolarHBondContact OD2-NH2 2.86Å; R360-G362 PolarHBondContact O-N 3.17Å; R360-T363 HydrophobicContact CB-CG2 4.05Å; R360-T363 WeakPolarHBondContact O-CG2 3.39Å; R360-T363 PolarHBondContact O-N 3.41Å; R360-T363 PolarHBondContact O-OG1 3.34Å; R360-Y366 WeakPolarHBondContact O-CB 3.38Å
361A88.1Confident94.3Very high61 Ų6127.4 Ų27.450%0.50414%0.141SC..THydrogen-bonded Turntrans-52.4133.7169.400000112.7Y366A361-Y366 HydrophobicContact CB-CD1 4.43Å; A361-Y366 HydrophobicContact CB-CE1 4.09Å
362G89.4Confident93.9Very high40 Ų4027.9 Ų27.941%0.41215%0.146SC..THydrogen-bonded Turntrans101-22.8179.500000114.8R360 R367R360-G362 PolarHBondContact O-N 3.17Å; G362-R367 PolarHBondContact O-NH2 3.02Å
363T94.6Very high93.4Very high0 Ų031.8 Ų31.80%017%0.173CC..SBendtrans-75.8164.6-178.769.50000112.6D332 E334 S359 R360 Y366 R367D332-T363 HydrophobicContact CB-CG2 3.82Å; E334-T363 HydrophobicContact CG-CG2 4.28Å; E334-T363 WeakPolarHBondContact OE1-CA 3.34Å; S359-T363 PolarHBondContact OG-OG1 2.94Å; R360-T363 HydrophobicContact CB-CG2 4.05Å; R360-T363 WeakPolarHBondContact O-CG2 3.39Å; R360-T363 PolarHBondContact O-N 3.41Å; R360-T363 PolarHBondContact O-OG1 3.34Å; T363-Y366 WeakPolarHBondContact OG1-CB 3.21Å; T363-Y366 PolarHBondContact OG1-N 3.29Å; T363-Y366 VanDerWaalsContact OG1-N 3.11Å; T363-R367 WeakPolarHBondContact O-CG 3.18Å; T363-R367 PolarHBondContact O-N 3.34Å
364L95.8Very high92.8Very high3 Ų336.8 Ų36.82%0.01620%0.2CC..Hα-helixtrans-60.6-49170.9173.756000111.4M333 E334 R339 F342 Y366 R367 L368 I382 L384M333-L364 HydrophobicContact CB-CB 4.2Å; M333-L364 HydrophobicContact CB-CD2 4.05Å; M333-L364 HydrophobicContact CB-CG 4.19Å; E334-L364 PolarHBondContact OE1-N 3.12Å; R339-L364 HydrophobicContact CG-CD2 4.46Å; F342-L364 HydrophobicContact CD1-CD2 4.01Å; F342-L364 HydrophobicContact CE1-CD1 4.31Å; F342-L364 HydrophobicContact CE1-CD2 4.09Å; L364-Y366 VanDerWaalsContact C-N 3.3Å; L364-Y366 PolarHBondContact O-N 3.21Å; L364-R367 PolarHBondContact O-N 3.45Å; L364-R367 VanDerWaalsContact O-N 3.16Å; L364-L368 HydrophobicContact CD1-CD1 3.86Å; L364-L368 HydrophobicContact CD1-CD2 4.39Å; L364-L368 HydrophobicContact CD1-CG 3.94Å; L364-L368 HydrophobicContact CG-CD1 3.89Å; L364-L368 HydrophobicContact CG-CG 4.39Å; L364-L368 WeakPolarHBondContact O-CG 3.2Å; L364-L368 PolarHBondContact O-N 2.86Å; L364-I382 HydrophobicContact CD1-CD1 4.06Å; L364-L384 HydrophobicContact CD1-CD1 3.83Å; L364-L384 HydrophobicContact CD1-CD2 3.88Å; L364-L384 HydrophobicContact CD1-CG 4.46Å; L364-L384 HydrophobicContact CD2-CD1 3.79Å; L364-L384 HydrophobicContact CG-CD1 4.47Å
365A96.1Very high91.4Very high0 Ų043.7 Ų43.70%024%0.237CC..Hα-helixtrans-58.8-41.9-178.600000112.2M331 D332 M333 F355 R367 L368 I369M331-A365 WeakPolarHBondContact O-CB 3.32Å; D332-A365 WeakPolarHBondContact O-CB 3.36Å; D332-A365 PolarHBondContact O-N 3.22Å; M333-A365 HydrophobicContact CB-CB 4.32Å; M333-A365 HydrophobicContact CG-CB 4.04Å; M333-A365 HydrophobicContact SD-CB 4.25Å; F355-A365 HydrophobicContact CD1-CB 4.24Å; F355-A365 HydrophobicContact CE1-CB 3.71Å; A365-R367 PolarHBondContact O-N 3.3Å; A365-L368 PolarHBondContact O-N 3.26Å; A365-I369 VanDerWaalsContact O-CG1 3.29Å; A365-I369 WeakPolarHBondContact O-CG1 3.43Å; A365-I369 PolarHBondContact O-N 3.06Å
366Y95.1Very high90Very high80 Ų8047.4 Ų47.431%0.31426%0.263SS..Hα-helixtrans-60.4-44176.3179.3-101.9000112.7S359 R360 A361 T363 L364 L368 I369 Q370S359-Y366 WeakPolarHBondContact O-CD2 3.37Å; R360-Y366 WeakPolarHBondContact O-CB 3.38Å; A361-Y366 HydrophobicContact CB-CD1 4.43Å; A361-Y366 HydrophobicContact CB-CE1 4.09Å; T363-Y366 WeakPolarHBondContact OG1-CB 3.21Å; T363-Y366 PolarHBondContact OG1-N 3.29Å; T363-Y366 VanDerWaalsContact OG1-N 3.11Å; L364-Y366 VanDerWaalsContact C-N 3.3Å; L364-Y366 PolarHBondContact O-N 3.21Å; Y366-L368 VanDerWaalsContact C-N 3.31Å; Y366-L368 PolarHBondContact O-N 3.25Å; Y366-I369 PolarHBondContact O-N 3.1Å; Y366-Q370 HydrophobicContact CE1-CG 4.27Å; Y366-Q370 WeakPolarHBondContact O-CG 3.3Å; Y366-Q370 PolarHBondContact O-N 3.48Å; Y366-Q370 PolarHBondContact OH-NE2 2.96Å
367R94.4Very high88.2Confident112 Ų11259.3 Ų59.342%0.42331%0.308SS..Hα-helixtrans-61.4-40.5175.7-66.3179.4-138.6175.64.4111.5G362 T363 L364 A365 Q370 M371G362-R367 PolarHBondContact O-NH2 3.02Å; T363-R367 WeakPolarHBondContact O-CG 3.18Å; T363-R367 PolarHBondContact O-N 3.34Å; L364-R367 PolarHBondContact O-N 3.45Å; L364-R367 VanDerWaalsContact O-N 3.16Å; A365-R367 PolarHBondContact O-N 3.3Å; R367-Q370 PolarHBondContact O-N 3.34Å; R367-M371 WeakPolarHBondContact O-CG 3.22Å; R367-M371 PolarHBondContact O-N 2.85Å
368L95.4Very high86.8Confident0 Ų062.8 Ų62.80%033%0.332CS..Hα-helixtrans-68.1-39.8178.9-65.8173.4000112.2M333 F342 F355 L364 A365 Y366 M371 A372 I382 V545 L549M333-L368 HydrophobicContact SD-CD1 3.86Å; F342-L368 HydrophobicContact CD1-CD1 4.37Å; F342-L368 HydrophobicContact CD2-CD1 3.94Å; F342-L368 HydrophobicContact CE1-CD1 3.96Å; F342-L368 HydrophobicContact CE1-CD2 4.47Å; F342-L368 HydrophobicContact CE2-CD1 3.49Å; F342-L368 VanDerWaalsContact CE2-CD1 3.49Å; F342-L368 HydrophobicContact CE2-CD2 3.89Å; F342-L368 HydrophobicContact CE2-CG 4.35Å; F342-L368 HydrophobicContact CG-CD1 4.37Å; F342-L368 HydrophobicContact CZ-CD1 3.51Å; F342-L368 HydrophobicContact CZ-CD2 3.56Å; F342-L368 HydrophobicContact CZ-CG 4.18Å; F355-L368 HydrophobicContact CE2-CB 3.93Å; F355-L368 HydrophobicContact CZ-CB 3.63Å; F355-L368 HydrophobicContact CZ-CD1 3.83Å; F355-L368 HydrophobicContact CZ-CG 4.4Å; L364-L368 HydrophobicContact CD1-CD1 3.86Å; L364-L368 HydrophobicContact CD1-CD2 4.39Å; L364-L368 HydrophobicContact CD1-CG 3.94Å; L364-L368 HydrophobicContact CG-CD1 3.89Å; L364-L368 HydrophobicContact CG-CG 4.39Å; L364-L368 WeakPolarHBondContact O-CG 3.2Å; L364-L368 PolarHBondContact O-N 2.86Å; A365-L368 PolarHBondContact O-N 3.26Å; Y366-L368 VanDerWaalsContact C-N 3.31Å; Y366-L368 PolarHBondContact O-N 3.25Å; L368-M371 HydrophobicContact CD2-SD 4.45Å; L368-M371 WeakPolarHBondContact O-CB 3.34Å; L368-M371 PolarHBondContact O-N 3.09Å; L368-A372 PolarHBondContact O-N 2.97Å; L368-I382 HydrophobicContact CD2-CD1 4.34Å; L368-V545 HydrophobicContact CD2-CG1 4.47Å; L368-V545 HydrophobicContact CD2-CG2 4.27Å; L368-L549 HydrophobicContact CB-CD1 4.24Å; L368-L549 HydrophobicContact CD2-CD1 4.14Å; L368-L549 WeakPolarHBondContact O-CD1 3.36Å
369I94.7Very high85.8Confident14 Ų1464 Ų647%0.07235%0.348CS..Hα-helixtrans-61.5-45.4174.3-70165.5000110.4F355 A365 Y366 M371 A372 S373 L551F355-I369 HydrophobicContact CB-CD1 4.12Å; F355-I369 HydrophobicContact CB-CG1 4.08Å; F355-I369 HydrophobicContact CD1-CD1 4.07Å; F355-I369 HydrophobicContact CD1-CG1 4.06Å; F355-I369 HydrophobicContact CD2-CG1 3.78Å; F355-I369 HydrophobicContact CE1-CG1 4.49Å; F355-I369 HydrophobicContact CE2-CG1 4.25Å; F355-I369 HydrophobicContact CG-CD1 4Å; F355-I369 HydrophobicContact CG-CG1 3.69Å; A365-I369 VanDerWaalsContact O-CG1 3.29Å; A365-I369 WeakPolarHBondContact O-CG1 3.43Å; A365-I369 PolarHBondContact O-N 3.06Å; Y366-I369 PolarHBondContact O-N 3.1Å; I369-M371 VanDerWaalsContact C-N 3.3Å; I369-M371 PolarHBondContact O-N 3.27Å; I369-A372 WeakPolarHBondContact O-CB 3.41Å; I369-A372 PolarHBondContact O-N 3.42Å; I369-S373 PolarHBondContact O-N 3.38Å; I369-S373 PolarHBondContact O-OG 3.43Å; I369-L551 HydrophobicContact CD1-CD1 4.36Å; I369-L551 HydrophobicContact CG2-CB 4.49Å; I369-L551 HydrophobicContact CG2-CD2 3.87Å
370Q92.9Very high85.5Confident85 Ų8566.7 Ų66.740%0.39736%0.357SS..Hα-helixtrans-60.2-39174.7-71.4-171.1-900112.6Y366 R367 A372 S373 N374Y366-Q370 HydrophobicContact CE1-CG 4.27Å; Y366-Q370 WeakPolarHBondContact O-CG 3.3Å; Y366-Q370 PolarHBondContact O-N 3.48Å; Y366-Q370 PolarHBondContact OH-NE2 2.96Å; R367-Q370 PolarHBondContact O-N 3.34Å; Q370-A372 VanDerWaalsContact C-N 3.28Å; Q370-A372 PolarHBondContact O-N 2.79Å; Q370-S373 PolarHBondContact O-N 3.06Å; Q370-N374 WeakPolarHBondContact O-CB 3.41Å; Q370-N374 VanDerWaalsContact O-CG 3.32Å; Q370-N374 PolarHBondContact O-N 3.42Å; Q370-N374 PolarHBondContact O-ND2 3.38Å
371M91.3Very high85.7Confident45 Ų4571 Ų7122%0.22238%0.377CS..Hα-helixtrans-65.4-30.7174.6-71.9-176.1-177.500113R367 L368 I369 R380 I382 L549R367-M371 WeakPolarHBondContact O-CG 3.22Å; R367-M371 PolarHBondContact O-N 2.85Å; L368-M371 HydrophobicContact CD2-SD 4.45Å; L368-M371 WeakPolarHBondContact O-CB 3.34Å; L368-M371 PolarHBondContact O-N 3.09Å; I369-M371 VanDerWaalsContact C-N 3.3Å; I369-M371 PolarHBondContact O-N 3.27Å; M371-R380 PolarHBondContact O-NH2 3.39Å; M371-R380 HydrophobicContact SD-CB 4.32Å; M371-I382 HydrophobicContact CE-CG2 3.34Å; M371-I382 HydrophobicContact SD-CG2 4.05Å; M371-L549 HydrophobicContact CB-CD1 4.16Å
372A90.3Very high85.9Confident17 Ų1768.6 Ų68.614%0.1436%0.356CS..Hα-helixtrans-69.3-44.2174.300000111L368 I369 Q370 L549L368-A372 PolarHBondContact O-N 2.97Å; I369-A372 WeakPolarHBondContact O-CB 3.41Å; I369-A372 PolarHBondContact O-N 3.42Å; Q370-A372 VanDerWaalsContact C-N 3.28Å; Q370-A372 PolarHBondContact O-N 2.79Å; A372-L549 HydrophobicContact CB-CB 3.73Å
373S87.7Confident86.1Confident84 Ų8470.7 Ų70.759%0.58736%0.361SS*.Hα-helixtrans-68.1-36.4178.2-54.50000112.9I369 Q370 N375I369-S373 PolarHBondContact O-N 3.38Å; I369-S373 PolarHBondContact O-OG 3.43Å; Q370-S373 PolarHBondContact O-N 3.06Å; S373-N375 PolarHBondContact O-N 3.18Å
374N85.5Confident86Confident105 Ų10571.3 Ų71.356%0.56136%0.364SS*.  trans-77.986.8175.6-69.2-24.3000109.8Q370 S376Q370-N374 WeakPolarHBondContact O-CB 3.41Å; Q370-N374 VanDerWaalsContact O-CG 3.32Å; Q370-N374 PolarHBondContact O-N 3.42Å; Q370-N374 PolarHBondContact O-ND2 3.38Å; N374-S376 PolarHBondContact O-N 3.46Å
375N68Low85.8Confident146 Ų14675.4 Ų75.478%0.78138%0.383SS*.  trans-58.71.1176.6-85.9-28.6000115.5S373 R377S373-N375 PolarHBondContact O-N 3.18Å; N375-R377 PolarHBondContact O-N 2.88Å; N375-R377 VanDerWaalsContact O-N 3.16Å
376S68.4Low85.6Confident81 Ų8175.9 Ų75.957%0.56639%0.386SS*.  trans-65.1114.6173.8-65.30000109.4N374 S378N374-S376 PolarHBondContact O-N 3.46Å; S376-S378 PolarHBondContact O-N 2.89Å
377R59.8Low85.4Confident252 Ų25274.6 Ų74.695%0.95138%0.382SS*.  trans-6518.4172.3-84.6-174.1173.3123.7-3.8114.1N375N375-R377 PolarHBondContact O-N 2.88Å; N375-R377 VanDerWaalsContact O-N 3.16Å
378S63.1Low85.1Confident87 Ų8775 Ų7561%0.60838%0.384SS*.SBendtrans-53.1143.3169.4-53.30000109.4S376 R380S376-S378 PolarHBondContact O-N 2.89Å; S378-R380 PolarHBondContact O-N 3.31Å
379S71.8Confident84.8Confident74 Ų7478.1 Ų78.152%0.51740%0.396SS..  trans-49.3111.4-179-174.70000110.7K381S379-K381 PolarHBondContact O-N 2.86Å; S379-K381 WeakPolarHBondContact OG-CD 3.03Å; S379-K381 VanDerWaalsContact OG-CE 3.24Å; S379-K381 WeakPolarHBondContact OG-CE 3.3Å; S379-K381 WeakPolarHBondContact OG-CG 3.49Å
380R86.8Confident84.4Confident62 Ų6279.8 Ų79.823%0.23441%0.406CS..  trans-81.369.1-178.9-66178.5177.4172.3-6.5109.7M371 S378 V545M371-R380 PolarHBondContact O-NH2 3.39Å; M371-R380 HydrophobicContact SD-CB 4.32Å; S378-R380 PolarHBondContact O-N 3.31Å; R380-V545 HydrophobicContact CB-CB 4.07Å; R380-V545 PolarHBondContact O-N 2.89Å
381K90.1Very high84.1Confident142 Ų14279.8 Ų79.862%0.61741%0.408SS*.EExtended strand (participates in β ladder)trans-94.4133.9177.3-73.3175.5179.1178.80110.5S379 L543 E544S379-K381 PolarHBondContact O-N 2.86Å; S379-K381 WeakPolarHBondContact OG-CD 3.03Å; S379-K381 VanDerWaalsContact OG-CE 3.24Å; S379-K381 WeakPolarHBondContact OG-CE 3.3Å; S379-K381 WeakPolarHBondContact OG-CG 3.49Å; K381-L543 WeakPolarHBondContact CA-O 3.18Å; K381-E544 HydrophobicContact CG-CB 4.48Å
382I91.9Very high83.7Confident12 Ų1278.6 Ų78.66%0.06240%0.403CS..EExtended strand (participates in β ladder)trans-126.3140174.160.8179.8000109.8F342 L364 L368 M371 L384 N542 L543 V545F342-I382 HydrophobicContact CE1-CD1 3.8Å; F342-I382 HydrophobicContact CZ-CD1 3.83Å; L364-I382 HydrophobicContact CD1-CD1 4.06Å; L368-I382 HydrophobicContact CD2-CD1 4.34Å; M371-I382 HydrophobicContact CE-CG2 3.34Å; M371-I382 HydrophobicContact SD-CG2 4.05Å; I382-L384 HydrophobicContact CD1-CD1 3.72Å; I382-L384 HydrophobicContact CD1-CG 4.17Å; I382-L384 HydrophobicContact CG1-CD1 4.32Å; I382-L384 HydrophobicContact CG1-CG 4.31Å; I382-N542 WeakPolarHBondContact O-CA 3.48Å; I382-L543 HydrophobicContact CD1-CB 4.44Å; I382-L543 HydrophobicContact CG1-CB 3.89Å; I382-L543 PolarHBondContact N-O 3.42Å; I382-L543 PolarHBondContact O-N 2.83Å; I382-V545 HydrophobicContact CD1-CG2 3.64Å; I382-V545 HydrophobicContact CG1-CG2 3.91Å; I382-V545 HydrophobicContact CG2-CG2 4.39Å
383T93.6Very high83.5Confident83 Ų8384.6 Ų84.651%0.50943%0.428SS..EExtended strand (participates in β ladder)trans-106.2123.3170.9-570000108V540 Q541 N542T383-V540 HydrophobicContact CG2-CG1 3.56Å; T383-Q541 WeakPolarHBondContact CA-O 3.3Å; T383-N542 WeakPolarHBondContact CB-OD1 3.46Å; T383-N542 VanDerWaalsContact CG2-OD1 3.26Å; T383-N542 WeakPolarHBondContact CG2-OD1 3.49Å; T383-N542 PolarHBondContact OG1-OD1 3.27Å
384L92.5Very high83.5Confident14 Ų1482.9 Ų82.97%0.07342%0.424CS..EExtended strand (participates in β ladder)trans-129.5140.4-177.8-62.2177.9000110.9L343 L364 I382 V386 V540 Q541 L543L343-L384 HydrophobicContact CD2-CD1 3.96Å; L364-L384 HydrophobicContact CD1-CD1 3.83Å; L364-L384 HydrophobicContact CD1-CD2 3.88Å; L364-L384 HydrophobicContact CD1-CG 4.46Å; L364-L384 HydrophobicContact CD2-CD1 3.79Å; L364-L384 HydrophobicContact CG-CD1 4.47Å; I382-L384 HydrophobicContact CD1-CD1 3.72Å; I382-L384 HydrophobicContact CD1-CG 4.17Å; I382-L384 HydrophobicContact CG1-CD1 4.32Å; I382-L384 HydrophobicContact CG1-CG 4.31Å; L384-V386 HydrophobicContact CB-CG2 4.48Å; L384-V386 PolarHBondContact O-N 2.6Å; L384-V540 WeakPolarHBondContact O-CA 3.42Å; L384-Q541 PolarHBondContact N-O 3.04Å; L384-Q541 PolarHBondContact O-N 2.84Å; L384-L543 HydrophobicContact CD1-CD1 4.22Å
385E91.7Very high83.6Confident88 Ų8881.8 Ų81.841%0.41142%0.424SS..EExtended strand (participates in β ladder)trans-81.7104.5163.7-173.2-172.8-150.600108.5R339 R538R339-E385 PolarHBondContact NH2-O 2.88Å; E385-R538 WeakPolarHBondContact OE1-CD 3.43Å
386V92.1Very high84.5Confident11 Ų1178.3 Ų78.37%0.06740%0.404CS..EExtended strand (participates in β ladder)trans-87.6121.1177.2-179.30000108.9L343 L384 I539 Q541L343-V386 HydrophobicContact CD1-CG1 3.81Å; L343-V386 HydrophobicContact CD1-CG2 4.02Å; L343-V386 HydrophobicContact CD2-CG2 4Å; L384-V386 HydrophobicContact CB-CG2 4.48Å; L384-V386 PolarHBondContact O-N 2.6Å; V386-I539 PolarHBondContact N-O 3.15Å; V386-I539 PolarHBondContact O-N 3.26Å; V386-Q541 HydrophobicContact CB-CG 4.45Å; V386-Q541 HydrophobicContact CG2-CB 4.13Å; V386-Q541 HydrophobicContact CG2-CG 4.03Å
387K91.6Very high85.3Confident52 Ų5275.9 Ų75.923%0.22638%0.384CS..EExtended strand (participates in β ladder)trans-102.9129.8174.9-55.3-178.9-173.9171.40108.6M108 E109 L537 R538M108-K387 HydrophobicContact CB-CB 4.4Å; E109-K387 HydrophobicContact CB-CD 4.29Å; E109-K387 IonicContact OE1-NZ 2.77Å; E109-K387 WeakPolarHBondContact OE2-CD 3.17Å; E109-K387 WeakPolarHBondContact OE2-CE 3.21Å; E109-K387 IonicContact OE2-NZ 2.67Å; E109-K387 PolarHBondContact OE2-NZ 2.65Å; K387-L537 WeakPolarHBondContact CA-O 3.49Å; K387-R538 HydrophobicContact CG-CG 4.43Å
388R88Confident86.5Confident120 Ų12068.5 Ų68.545%0.45336%0.363SS..EExtended strand (participates in β ladder)trans-141.6139.3178.263.6178.4-176.8-178.52.6111.1M108 V390 L537M108-R388 CarbonylContact O-C 3.54Å; M108-R388 PolarHBondContact O-N 3.18Å; R388-V390 HydrophobicContact CG-CG2 4Å; R388-L537 HydrophobicContact CG-CB 4.11Å; R388-L537 PolarHBondContact N-O 2.83Å; R388-L537 PolarHBondContact O-N 3.28Å
389R88.4Confident87.7Confident67 Ų6769.8 Ų69.825%0.25336%0.36SS..EExtended strand (participates in β ladder)trans-87.2131.6168.1-172.5172.3-72.8-74.1-1.1109.2K106 N107 E109 D110 T534 K535 C536K106-R389 PolarHBondContact O-NE 2.93Å; K106-R389 PolarHBondContact O-NH2 2.78Å; K106-R389 VanDerWaalsContact O-NH2 3.15Å; N107-R389 WeakPolarHBondContact O-CB 3.47Å; E109-R389 VanDerWaalsContact C-NH2 3.33Å; E109-R389 PolarHBondContact O-NH2 2.82Å; D110-R389 IonicContact OD1-CZ 3.58Å; D110-R389 IonicContact OD1-NH1 3.8Å; D110-R389 PolarHBondContact OD1-NH1 2.87Å; D110-R389 IonicContact OD1-NH2 3.52Å; D110-R389 PolarHBondContact OD1-NH2 3.37Å; R389-T534 VanDerWaalsContact CD-OG1 3.27Å; R389-T534 WeakPolarHBondContact CD-OG1 3.45Å; R389-T534 HydrophobicContact CG-CG2 4.11Å; R389-T534 WeakPolarHBondContact CG-OG1 3.27Å; R389-T534 PolarHBondContact NH1-OG1 3.33Å; R389-K535 CarbonylContact C-O 3.34Å; R389-K535 WeakPolarHBondContact CA-O 3.28Å; R389-C536 PolarHBondContact NH2-SG 3.47Å
390V87.2Confident88.4Confident49 Ų4970.9 Ų70.930%0.29735%0.353SS..EExtended strand (participates in β ladder)trans-129.6146179.7-1720000108.3R388 T534 K535 L537R388-V390 HydrophobicContact CG-CG2 4Å; V390-T534 CarbonylContact O-C 3.56Å; V390-T534 VanDerWaalsContact O-CA 3.31Å; V390-T534 WeakPolarHBondContact O-CA 3.48Å; V390-T534 WeakPolarHBondContact O-CB 3.45Å; V390-K535 PolarHBondContact N-O 3.47Å; V390-K535 PolarHBondContact O-N 3.49Å; V390-L537 HydrophobicContact CB-CD1 4.43Å; V390-L537 HydrophobicContact CG2-CD1 3.81Å; V390-L537 HydrophobicContact CG2-CG 4.33Å
391L85.9Confident88.4Confident84 Ų8473 Ų7344%0.4436%0.361SS..EExtended strand (participates in β ladder)trans-59.8145.3173.5-59.3-178.7000110.4M532 T534L391-M532 HydrophobicContact CD2-CB 4.23Å; L391-T534 HydrophobicContact CD2-CG2 3.75Å
392L83.8Confident88.3Confident20 Ų2072.9 Ų72.911%0.10536%0.357CS..  trans-71.2134.4167.6-66.2-176.5000109.2E396 L397 Y400 P533 K535L392-E396 HydrophobicContact CD2-CB 4.1Å; L392-E396 WeakPolarHBondContact CD2-OE2 3.27Å; L392-L397 HydrophobicContact CB-CB 4.17Å; L392-L397 HydrophobicContact CB-CD1 4.21Å; L392-Y400 HydrophobicContact CD1-CD2 4.38Å; L392-Y400 HydrophobicContact CD1-CG 4.33Å; L392-P533 HydrophobicContact CB-CG 4.25Å; L392-P533 HydrophobicContact CD1-CB 3.73Å; L392-P533 HydrophobicContact CD1-CG 3.88Å; L392-P533 HydrophobicContact CG-CB 4.3Å; L392-P533 HydrophobicContact CG-CG 4.36Å; L392-P533 PolarHBondContact N-O 3.42Å; L392-K535 HydrophobicContact CD2-CB 3.71Å; L392-K535 HydrophobicContact CD2-CD 3.76Å; L392-K535 HydrophobicContact CD2-CG 3.77Å
393E85.7Confident88.1Confident143 Ų14377 Ų7767%0.66838%0.376SS*.  trans-129.2151.8180-67.6-179.1178.400110.6S395E393-S395 PolarHBondContact O-N 3.25Å
394G87.8Confident87.8Confident49 Ų4976.3 Ų76.351%0.50537%0.366SS..THydrogen-bonded Turntrans60-128.5173.600000113.8E396 L397 D398G394-E396 VanDerWaalsContact C-N 3.3Å; G394-E396 PolarHBondContact O-N 2.88Å; G394-L397 WeakPolarHBondContact O-CB 3.34Å; G394-L397 PolarHBondContact O-N 3.5Å; G394-D398 PolarHBondContact O-N 3.42Å; G394-D398 VanDerWaalsContact O-N 3.1Å
395S86.4Confident87.6Confident81 Ų8181.8 Ų81.857%0.56639%0.389SS*.Hα-helixtrans-61.8-34.2-173.655.10000113.8E393 D398 E399E393-S395 PolarHBondContact O-N 3.25Å; S395-D398 PolarHBondContact O-N 3.33Å; S395-E399 WeakPolarHBondContact O-CB 3.35Å; S395-E399 WeakPolarHBondContact O-CG 3.14Å; S395-E399 PolarHBondContact O-N 3.21Å
396E86.8Confident87.5Confident74 Ų7482.4 Ų82.435%0.34639%0.392SS..Hα-helixtrans-67.9-39178.9-62.8177.9168.400111.2L392 G394 E399 Y400 K535L392-E396 HydrophobicContact CD2-CB 4.1Å; L392-E396 WeakPolarHBondContact CD2-OE2 3.27Å; G394-E396 VanDerWaalsContact C-N 3.3Å; G394-E396 PolarHBondContact O-N 2.88Å; E396-E399 PolarHBondContact O-N 2.9Å; E396-Y400 PolarHBondContact O-N 2.84Å; E396-K535 IonicContact OE1-NZ 3.3Å; E396-K535 PolarHBondContact OE1-NZ 3.28Å; E396-K535 WeakPolarHBondContact OE2-CD 3.5Å; E396-K535 VanDerWaalsContact OE2-CE 3.24Å; E396-K535 WeakPolarHBondContact OE2-CE 3.35Å; E396-K535 IonicContact OE2-NZ 3.11Å; E396-K535 PolarHBondContact OE2-NZ 3.17Å
397L85.7Confident87.3Confident30 Ų3087.8 Ų87.816%0.15741%0.414CS..Hα-helixtrans-64.8-46.3175.2-17661.6000110.2L392 G394 E399 Y400 W401 M532 P533L392-L397 HydrophobicContact CB-CB 4.17Å; L392-L397 HydrophobicContact CB-CD1 4.21Å; G394-L397 WeakPolarHBondContact O-CB 3.34Å; G394-L397 PolarHBondContact O-N 3.5Å; L397-E399 VanDerWaalsContact C-N 3.3Å; L397-E399 PolarHBondContact O-N 3.19Å; L397-Y400 WeakPolarHBondContact O-CB 3.29Å; L397-Y400 PolarHBondContact O-N 3.17Å; L397-W401 PolarHBondContact O-N 3.26Å; L397-M532 HydrophobicContact CD2-CE 4.1Å; L397-P533 HydrophobicContact CD1-CG 3.34Å
398D86.2Confident87.1Confident96 Ų9690 Ų9051%0.51343%0.426SS..Hα-helixtrans-62.2-35.6177.9-69-25.6000112.9G394 S395 R402G394-D398 PolarHBondContact O-N 3.42Å; G394-D398 VanDerWaalsContact O-N 3.1Å; S395-D398 PolarHBondContact O-N 3.33Å; D398-R402 WeakPolarHBondContact O-CB 3.44Å; D398-R402 WeakPolarHBondContact O-CG 3.45Å; D398-R402 PolarHBondContact O-N 3.37Å; D398-R402 PolarHBondContact O-NE 2.92Å
399E88Confident87.2Confident114 Ų11489.8 Ų89.853%0.53343%0.43SS..Hα-helixtrans-66.2-45.8173.3-77.9178.9-176.800111.7S395 E396 L397 W401 R402 E403S395-E399 WeakPolarHBondContact O-CB 3.35Å; S395-E399 WeakPolarHBondContact O-CG 3.14Å; S395-E399 PolarHBondContact O-N 3.21Å; E396-E399 PolarHBondContact O-N 2.9Å; L397-E399 VanDerWaalsContact C-N 3.3Å; L397-E399 PolarHBondContact O-N 3.19Å; E399-W401 PolarHBondContact O-N 2.87Å; E399-R402 WeakPolarHBondContact O-CB 3.48Å; E399-R402 PolarHBondContact O-N 2.63Å; E399-R402 IonicContact OE1-NH2 3.68Å; E399-E403 PolarHBondContact O-N 3.37Å
400Y86.3Confident87.3Confident98 Ų9893.6 Ų93.638%0.38445%0.448SS..Hα-helixtrans-58.1-48.3175.8179-87.8000111.8L392 E396 L397 R402 E403 K404 P533L392-Y400 HydrophobicContact CD1-CD2 4.38Å; L392-Y400 HydrophobicContact CD1-CG 4.33Å; E396-Y400 PolarHBondContact O-N 2.84Å; L397-Y400 WeakPolarHBondContact O-CB 3.29Å; L397-Y400 PolarHBondContact O-N 3.17Å; Y400-R402 VanDerWaalsContact C-N 3.32Å; Y400-R402 PolarHBondContact O-N 3.5Å; Y400-E403 PolarHBondContact O-N 2.92Å; Y400-K404 HydrophobicContact CE1-CD 4.24Å; Y400-K404 WeakPolarHBondContact O-CB 3.36Å; Y400-K404 PolarHBondContact O-N 2.96Å; Y400-P533 HydrophobicContact CD1-CB 3.69Å; Y400-P533 HydrophobicContact CD1-CG 3.49Å; Y400-P533 VanDerWaalsContact CD1-CG 3.49Å; Y400-P533 HydrophobicContact CD2-CB 3.87Å; Y400-P533 HydrophobicContact CD2-CG 4.42Å; Y400-P533 HydrophobicContact CE1-CB 3.63Å; Y400-P533 HydrophobicContact CE1-CG 3.78Å; Y400-P533 HydrophobicContact CE2-CB 3.81Å; Y400-P533 HydrophobicContact CG-CB 3.8Å; Y400-P533 HydrophobicContact CG-CG 3.85Å
401W86.1Confident87.2Confident105 Ų10594.2 Ų94.240%0.39846%0.458SS..Hα-helixtrans-62.7-38.2177.4-76.1108.7000112.5L397 E399 K405L397-W401 PolarHBondContact O-N 3.26Å; E399-W401 PolarHBondContact O-N 2.87Å; W401-K405 VanDerWaalsContact O-CB 3.29Å; W401-K405 WeakPolarHBondContact O-CB 3.42Å; W401-K405 PolarHBondContact O-N 2.82Å
402R87.6Confident87.3Confident141 Ų14194.1 Ų94.153%0.53246%0.461SS..Hα-helixtrans-62.7-44.5173.8-83.7-177.3-75.4159.3-6.9111.6D398 E399 Y400 Q406D398-R402 WeakPolarHBondContact O-CB 3.44Å; D398-R402 WeakPolarHBondContact O-CG 3.45Å; D398-R402 PolarHBondContact O-N 3.37Å; D398-R402 PolarHBondContact O-NE 2.92Å; E399-R402 WeakPolarHBondContact O-CB 3.48Å; E399-R402 PolarHBondContact O-N 2.63Å; E399-R402 IonicContact OE1-NH2 3.68Å; Y400-R402 VanDerWaalsContact C-N 3.32Å; Y400-R402 PolarHBondContact O-N 3.5Å; R402-Q406 VanDerWaalsContact O-CG 3.27Å; R402-Q406 WeakPolarHBondContact O-CG 3.16Å; R402-Q406 PolarHBondContact O-N 3.49Å
403E88Confident87.5Confident98 Ų98102 Ų10246%0.45849%0.49SS..Hα-helixtrans-66.4-44.8179.2-163.8-169.6153.700111.7E399 Y400 Q406 K407E399-E403 PolarHBondContact O-N 3.37Å; Y400-E403 PolarHBondContact O-N 2.92Å; E403-Q406 PolarHBondContact O-N 3.35Å; E403-K407 PolarHBondContact O-N 2.95Å; E403-K407 WeakPolarHBondContact OE1-CE 3.48Å; E403-K407 IonicContact OE1-NZ 2.68Å; E403-K407 PolarHBondContact OE1-NZ 2.93Å
404K87.3Confident87.5Confident69 Ų6998 Ų9830%0.348%0.481SS..Hα-helixtrans-58-50176.2-175.8178.1174.8-176.10111.1Y400 Q406 K407 E408Y400-K404 HydrophobicContact CE1-CD 4.24Å; Y400-K404 WeakPolarHBondContact O-CB 3.36Å; Y400-K404 PolarHBondContact O-N 2.96Å; K404-Q406 VanDerWaalsContact C-N 3.3Å; K404-Q406 PolarHBondContact O-N 2.84Å; K404-K407 WeakPolarHBondContact O-CB 3.47Å; K404-K407 PolarHBondContact O-N 2.89Å; K404-K407 VanDerWaalsContact O-N 3.09Å; K404-E408 WeakPolarHBondContact CE-OE1 3.32Å; K404-E408 WeakPolarHBondContact O-CG 3.28Å; K404-E408 PolarHBondContact O-N 3.34Å
405K88.7Confident87.2Confident128 Ų128104 Ų10456%0.55749%0.488SS*.Hα-helixtrans-59.6-38.8177.1-172.3176-176.1173.80112.4W401 Q409W401-K405 VanDerWaalsContact O-CB 3.29Å; W401-K405 WeakPolarHBondContact O-CB 3.42Å; W401-K405 PolarHBondContact O-N 2.82Å; K405-Q409 WeakPolarHBondContact O-CB 3.4Å; K405-Q409 VanDerWaalsContact O-CG 3.25Å; K405-Q409 WeakPolarHBondContact O-CG 3.41Å; K405-Q409 PolarHBondContact O-N 2.79Å
406Q89.1Confident87.2Confident102 Ų102104.6 Ų104.648%0.47749%0.485SS..Hα-helixtrans-67.1-39.5175.2-74.6177.123.200112.4R402 E403 K404 K410R402-Q406 VanDerWaalsContact O-CG 3.27Å; R402-Q406 WeakPolarHBondContact O-CG 3.16Å; R402-Q406 PolarHBondContact O-N 3.49Å; E403-Q406 PolarHBondContact O-N 3.35Å; K404-Q406 VanDerWaalsContact C-N 3.3Å; K404-Q406 PolarHBondContact O-N 2.84Å; Q406-K410 WeakPolarHBondContact O-CB 3.32Å; Q406-K410 VanDerWaalsContact O-CG 3.29Å; Q406-K410 WeakPolarHBondContact O-CG 3.48Å; Q406-K410 PolarHBondContact O-N 3.22Å
407K88.4Confident87.1Confident123 Ų123105.4 Ų105.454%0.53549%0.489SS..Hα-helixtrans-63.5-44.9174.8-75.4177.9-177.4164.80111.2E403 K404 K410 A411E403-K407 PolarHBondContact O-N 2.95Å; E403-K407 WeakPolarHBondContact OE1-CE 3.48Å; E403-K407 IonicContact OE1-NZ 2.68Å; E403-K407 PolarHBondContact OE1-NZ 2.93Å; K404-K407 WeakPolarHBondContact O-CB 3.47Å; K404-K407 PolarHBondContact O-N 2.89Å; K404-K407 VanDerWaalsContact O-N 3.09Å; K407-K410 PolarHBondContact O-N 3.06Å; K407-A411 WeakPolarHBondContact O-CB 3.2Å; K407-A411 PolarHBondContact O-N 3.43Å
408E88.4Confident86.9Confident99 Ų99106.6 Ų106.646%0.46350%0.503SS..Hα-helixtrans-60.5-47.4175.7-72.2168.5-178.600111.6K404 K410 A411 T412K404-E408 WeakPolarHBondContact CE-OE1 3.32Å; K404-E408 WeakPolarHBondContact O-CG 3.28Å; K404-E408 PolarHBondContact O-N 3.34Å; E408-K410 VanDerWaalsContact C-N 3.32Å; E408-K410 PolarHBondContact O-N 3.4Å; E408-A411 PolarHBondContact O-N 3.36Å; E408-A411 VanDerWaalsContact O-N 3.13Å; E408-T412 PolarHBondContact O-N 2.86Å; E408-T412 PolarHBondContact O-OG1 3.42Å
409Q90.2Very high86.6Confident115 Ų115107.1 Ų107.154%0.53750%0.502SS..Hα-helixtrans-60-40.1176.3-75.2175.8-3.500112.9K405 R413K405-Q409 WeakPolarHBondContact O-CB 3.4Å; K405-Q409 VanDerWaalsContact O-CG 3.25Å; K405-Q409 WeakPolarHBondContact O-CG 3.41Å; K405-Q409 PolarHBondContact O-N 2.79Å; Q409-R413 VanDerWaalsContact O-CB 3.31Å; Q409-R413 WeakPolarHBondContact O-CB 3.36Å; Q409-R413 PolarHBondContact O-N 2.99Å
410K88.8Confident86.3Confident148 Ų148110.7 Ų110.764%0.64351%0.511SS*.Hα-helixtrans-64.4-43.4174.6-74.4172.9-177.5176.60111.2Q406 K407 E408 R413 A414Q406-K410 WeakPolarHBondContact O-CB 3.32Å; Q406-K410 VanDerWaalsContact O-CG 3.29Å; Q406-K410 WeakPolarHBondContact O-CG 3.48Å; Q406-K410 PolarHBondContact O-N 3.22Å; K407-K410 PolarHBondContact O-N 3.06Å; E408-K410 VanDerWaalsContact C-N 3.32Å; E408-K410 PolarHBondContact O-N 3.4Å; K410-R413 PolarHBondContact O-N 2.81Å; K410-A414 WeakPolarHBondContact O-CB 3.31Å; K410-A414 PolarHBondContact O-N 3.4Å
411A86.5Confident85.9Confident61 Ų61113.9 Ų113.950%0.50452%0.522SS..Hα-helixtrans-64.2-45.317700000112.1K407 E408 R413 A414 R415K407-A411 WeakPolarHBondContact O-CB 3.2Å; K407-A411 PolarHBondContact O-N 3.43Å; E408-A411 PolarHBondContact O-N 3.36Å; E408-A411 VanDerWaalsContact O-N 3.13Å; A411-R413 PolarHBondContact O-N 3Å; A411-A414 PolarHBondContact O-N 2.9Å; A411-R415 WeakPolarHBondContact O-CB 3.34Å; A411-R415 PolarHBondContact O-N 2.92Å
412T87.9Confident85.5Confident82 Ų82111.4 Ų111.450%0.50352%0.519SS..Hα-helixtrans-61.6-42.8175.3-51.90000111.6E408 R415 L416E408-T412 PolarHBondContact O-N 2.86Å; E408-T412 PolarHBondContact O-OG1 3.42Å; T412-R415 PolarHBondContact O-N 3.22Å; T412-L416 HydrophobicContact CG2-CD1 4.21Å; T412-L416 WeakPolarHBondContact O-CG 3.47Å; T412-L416 PolarHBondContact O-N 2.85Å
413R86.8Confident84.8Confident186 Ų186108.2 Ų108.270%0.70251%0.512SS*.Hα-helixtrans-62.2-44.6175.9-178.3177175.3175-0.5111.6Q409 K410 A411 R415 L416 E417Q409-R413 VanDerWaalsContact O-CB 3.31Å; Q409-R413 WeakPolarHBondContact O-CB 3.36Å; Q409-R413 PolarHBondContact O-N 2.99Å; K410-R413 PolarHBondContact O-N 2.81Å; A411-R413 PolarHBondContact O-N 3Å; R413-R415 VanDerWaalsContact C-N 3.35Å; R413-L416 PolarHBondContact O-N 3.01Å; R413-E417 WeakPolarHBondContact O-CB 3.46Å; R413-E417 PolarHBondContact O-N 3.3Å
414A86.3Confident84.2Confident59 Ų59112.6 Ų112.649%0.48852%0.524SS..Hα-helixtrans-61.9-41.9176.200000111.7K410 A411 E417 A418K410-A414 WeakPolarHBondContact O-CB 3.31Å; K410-A414 PolarHBondContact O-N 3.4Å; A411-A414 PolarHBondContact O-N 2.9Å; A414-E417 PolarHBondContact O-N 3.26Å; A414-A418 WeakPolarHBondContact O-CB 3.42Å; A414-A418 PolarHBondContact O-N 3.22Å
415R82.1Confident83.3Confident174 Ų174116 Ų11666%0.65754%0.539SS*.Hα-helixtrans-62.1-46.7175.4-173.5178.9-179.8-179.41112.3A411 T412 R413 E417 A418 Q419A411-R415 WeakPolarHBondContact O-CB 3.34Å; A411-R415 PolarHBondContact O-N 2.92Å; T412-R415 PolarHBondContact O-N 3.22Å; R413-R415 VanDerWaalsContact C-N 3.35Å; R415-E417 VanDerWaalsContact C-N 3.31Å; R415-E417 PolarHBondContact O-N 3.03Å; R415-A418 PolarHBondContact O-N 3.06Å; R415-Q419 WeakPolarHBondContact O-CB 3.35Å; R415-Q419 PolarHBondContact O-N 3.45Å
416L85.9Confident82Confident94 Ų94115.3 Ų115.349%0.49254%0.538SS..Hα-helixtrans-63.5-36.9176.7-75.5169.5000112.1T412 R413 R420T412-L416 HydrophobicContact CG2-CD1 4.21Å; T412-L416 WeakPolarHBondContact O-CG 3.47Å; T412-L416 PolarHBondContact O-N 2.85Å; R413-L416 PolarHBondContact O-N 3.01Å; L416-R420 WeakPolarHBondContact O-CB 3.36Å; L416-R420 VanDerWaalsContact O-CG 3.25Å; L416-R420 WeakPolarHBondContact O-CG 3.43Å; L416-R420 PolarHBondContact O-N 3.41Å
417E84.4Confident80.3Confident92 Ų92116.8 Ų116.843%0.4355%0.545SS..Hα-helixtrans-68.8-42.1175.8-164-178149.800111.7R413 A414 R415 R420 R421R413-E417 WeakPolarHBondContact O-CB 3.46Å; R413-E417 PolarHBondContact O-N 3.3Å; A414-E417 PolarHBondContact O-N 3.26Å; R415-E417 VanDerWaalsContact C-N 3.31Å; R415-E417 PolarHBondContact O-N 3.03Å; E417-R420 PolarHBondContact O-N 2.98Å; E417-R421 WeakPolarHBondContact O-CG 3.3Å; E417-R421 PolarHBondContact O-N 2.92Å; E417-R421 IonicContact OE1-CZ 3.36Å; E417-R421 IonicContact OE1-NE 3.46Å; E417-R421 IonicContact OE1-NH2 3.53Å; E417-R421 PolarHBondContact OE1-NH2 3.41Å
418A81.9Confident78.9Confident55 Ų55114.3 Ų114.346%0.45554%0.54SS..Hα-helixtrans-59.9-45.5173.200000111.5A414 R415 R421 V422A414-A418 WeakPolarHBondContact O-CB 3.42Å; A414-A418 PolarHBondContact O-N 3.22Å; R415-A418 PolarHBondContact O-N 3.06Å; A418-R421 WeakPolarHBondContact O-CB 3.45Å; A418-R421 PolarHBondContact O-N 2.87Å; A418-R421 VanDerWaalsContact O-N 3.15Å; A418-V422 PolarHBondContact O-N 3.35Å; A418-V422 VanDerWaalsContact O-N 3.12Å
419Q80.5Confident77Confident107 Ų107116 Ų11650%0.555%0.55SS..Hα-helixtrans-66.3-39.2178-167.4163.518.600112.4R415 R421 V422 N423R415-Q419 WeakPolarHBondContact O-CB 3.35Å; R415-Q419 PolarHBondContact O-N 3.45Å; Q419-R421 VanDerWaalsContact C-N 3.27Å; Q419-R421 PolarHBondContact O-N 2.92Å; Q419-V422 PolarHBondContact O-N 3.28Å; Q419-N423 PolarHBondContact O-N 2.8Å; Q419-N423 PolarHBondContact O-OD1 3.01Å
420R81.3Confident74.7Confident189 Ų189115.1 Ų115.171%0.71355%0.548SS*.Hα-helixtrans-61.9-34.6172.3-77.7175.5178.5-170-0.4112.4L416 E417 R424L416-R420 WeakPolarHBondContact O-CB 3.36Å; L416-R420 VanDerWaalsContact O-CG 3.25Å; L416-R420 WeakPolarHBondContact O-CG 3.43Å; L416-R420 PolarHBondContact O-N 3.41Å; E417-R420 PolarHBondContact O-N 2.98Å; R420-R424 VanDerWaalsContact O-CB 3.28Å; R420-R424 WeakPolarHBondContact O-CB 3.47Å; R420-R424 PolarHBondContact O-N 3.26Å
421R78.6Confident72.7Confident164 Ų164116.1 Ų116.162%0.61956%0.555SS**Hα-helixtrans-66.9-37.9174.7-72.7178.1-172.1-169.44.9111.9E417 A418 Q419 K425E417-R421 WeakPolarHBondContact O-CG 3.3Å; E417-R421 PolarHBondContact O-N 2.92Å; E417-R421 IonicContact OE1-CZ 3.36Å; E417-R421 IonicContact OE1-NE 3.46Å; E417-R421 IonicContact OE1-NH2 3.53Å; E417-R421 PolarHBondContact OE1-NH2 3.41Å; A418-R421 WeakPolarHBondContact O-CB 3.45Å; A418-R421 PolarHBondContact O-N 2.87Å; A418-R421 VanDerWaalsContact O-N 3.15Å; Q419-R421 VanDerWaalsContact C-N 3.27Å; Q419-R421 PolarHBondContact O-N 2.92Å; R421-K425 WeakPolarHBondContact O-CG 3.22Å; R421-K425 PolarHBondContact O-N 3.12Å
422V76.1Confident70.4Confident54 Ų54120.4 Ų120.433%0.32757%0.565SS.*Hα-helixtrans-65.2-53.8173.8176.70000110.5A418 Q419 R424 K425 E426A418-V422 PolarHBondContact O-N 3.35Å; A418-V422 VanDerWaalsContact O-N 3.12Å; Q419-V422 PolarHBondContact O-N 3.28Å; V422-R424 PolarHBondContact O-N 2.82Å; V422-K425 WeakPolarHBondContact O-CB 3.47Å; V422-K425 PolarHBondContact O-N 3.38Å; V422-E426 PolarHBondContact O-N 2.96Å; V422-E426 VanDerWaalsContact O-N 3.08Å
423N74.6Confident67.8Low74 Ų74119.9 Ų119.940%0.39658%0.576SS.*Hα-helixtrans-59.8-33.7-179.5-67.316.2000112.9Q419 E426 Q427Q419-N423 PolarHBondContact O-N 2.8Å; Q419-N423 PolarHBondContact O-OD1 3.01Å; N423-E426 PolarHBondContact O-N 2.9Å; N423-Q427 WeakPolarHBondContact O-CG 3.49Å; N423-Q427 PolarHBondContact O-N 3.13Å
424R74.2Confident65.1Low189 Ų189119.3 Ų119.371%0.71358%0.581SS**Hα-helixtrans-69-36.2177.7-160.8178.3-165.2-157.42111.9R420 V422 T428R420-R424 VanDerWaalsContact O-CB 3.28Å; R420-R424 WeakPolarHBondContact O-CB 3.47Å; R420-R424 PolarHBondContact O-N 3.26Å; V422-R424 PolarHBondContact O-N 2.82Å; R424-T428 WeakPolarHBondContact O-CG2 3.34Å; R424-T428 PolarHBondContact O-N 3.01Å; R424-T428 VanDerWaalsContact O-N 3.09Å; R424-T428 PolarHBondContact O-OG1 3.44Å
425K69.6Low62.4Low142 Ų142122.1 Ų122.162%0.61760%0.598SS**Hα-helixtrans-65.7-40.1172.9-72.6-178.3176.5-171.40111.2R421 V422 T428 M429R421-K425 WeakPolarHBondContact O-CG 3.22Å; R421-K425 PolarHBondContact O-N 3.12Å; V422-K425 WeakPolarHBondContact O-CB 3.47Å; V422-K425 PolarHBondContact O-N 3.38Å; K425-T428 WeakPolarHBondContact CA-OG1 3.43Å; K425-T428 PolarHBondContact O-OG1 3.38Å; K425-M429 WeakPolarHBondContact O-CG 3.38Å; K425-M429 PolarHBondContact O-N 2.97Å
426E60.9Low60Low113 Ų113118 Ų11853%0.52860%0.595SS.*Hα-helixtrans-66-42.7175.9-68.3178.9165.400112.4V422 N423 M429 D430V422-E426 PolarHBondContact O-N 2.96Å; V422-E426 VanDerWaalsContact O-N 3.08Å; N423-E426 PolarHBondContact O-N 2.9Å; E426-M429 WeakPolarHBondContact O-CB 3.34Å; E426-M429 PolarHBondContact O-N 3.31Å; E426-M429 VanDerWaalsContact O-N 3.16Å; E426-D430 PolarHBondContact O-N 2.93Å; E426-D430 VanDerWaalsContact O-N 3.13Å
427Q53.5Low57.5Low133 Ų133120.9 Ų120.962%0.62161%0.611SS**Hα-helixtrans-66.1-37.7177.4-77.5-178.2-2300113.1N423 M429 D430 E431N423-Q427 WeakPolarHBondContact O-CG 3.49Å; N423-Q427 PolarHBondContact O-N 3.13Å; Q427-M429 PolarHBondContact O-N 3.45Å; Q427-D430 PolarHBondContact O-N 3.33Å; Q427-E431 PolarHBondContact O-N 3.44Å; Q427-E431 VanDerWaalsContact O-N 3.14Å
428T57.8Low55Low70 Ų70125.4 Ų125.443%0.42963%0.632SS.*Hα-helixtrans-65.7-29.8173.746.80000112.2R424 K425 E432R424-T428 WeakPolarHBondContact O-CG2 3.34Å; R424-T428 PolarHBondContact O-N 3.01Å; R424-T428 VanDerWaalsContact O-N 3.09Å; R424-T428 PolarHBondContact O-OG1 3.44Å; K425-T428 WeakPolarHBondContact CA-OG1 3.43Å; K425-T428 PolarHBondContact O-OG1 3.38Å; T428-E432 PolarHBondContact O-N 2.88Å
429M49.8Very low52.6Low135 Ų135131.7 Ų131.767%0.66565%0.652SS**Hα-helixtrans-74-25173.8-71.2-177.570.700113.4K425 E426 Q427K425-M429 WeakPolarHBondContact O-CG 3.38Å; K425-M429 PolarHBondContact O-N 2.97Å; E426-M429 WeakPolarHBondContact O-CB 3.34Å; E426-M429 PolarHBondContact O-N 3.31Å; E426-M429 VanDerWaalsContact O-N 3.16Å; Q427-M429 PolarHBondContact O-N 3.45Å
430D42.3Very low50.2Low96 Ų96133.1 Ų133.151%0.51366%0.664SS.*Hα-helixtrans-82.5-25.6175.7-83.9-15.5000113.1E426 Q427 R477E426-D430 PolarHBondContact O-N 2.93Å; E426-D430 VanDerWaalsContact O-N 3.13Å; Q427-D430 PolarHBondContact O-N 3.33Å; D430-R477 IonicContact OD1-CZ 2.77Å; D430-R477 IonicContact OD1-NH1 3.06Å; D430-R477 PolarHBondContact OD1-NH1 3.34Å; D430-R477 IonicContact OD1-NH2 3.85Å; D430-R477 PolarHBondContact OD1-NH2 3.25Å; D430-R477 IonicContact OD2-NH1 3.29Å
431E44.9Very low47.8Very low169 Ų169131.7 Ų131.779%0.7967%0.668SS**Hα-helixtrans-81.7-24.1173.9-70.9-175.217800112.7Q427 G433Q427-E431 PolarHBondContact O-N 3.44Å; Q427-E431 VanDerWaalsContact O-N 3.14Å; E431-G433 VanDerWaalsContact C-N 3.33Å; E431-G433 PolarHBondContact O-N 3.44Å
432E40.1Very low45.7Very low152 Ų152130.9 Ų130.971%0.7168%0.675SS**  trans-9659.9177.1-66.4-175-176.100111.6T428 E434T428-E432 PolarHBondContact O-N 2.88Å; E432-E434 PolarHBondContact O-N 3.15Å
433G32.4Very low43.7Very low71 Ų71132.9 Ų132.973%0.73268%0.684SS**  trans-74.858.9157.100000111.2E431E431-G433 VanDerWaalsContact C-N 3.33Å; E431-G433 PolarHBondContact O-N 3.44Å
434E30.4Very low42Very low173 Ų173135.9 Ų135.981%0.80870%0.699SS**SBendtrans-167.8107.8167.8-113.6170.5-153.800112.2E432E432-E434 PolarHBondContact O-N 3.15Å
435S29.9Very low40Very low119 Ų119135.2 Ų135.283%0.83270%0.702SS**  trans68150.9166.2103.60000115.3
436S31.2Very low38.3Very low87 Ų87133.8 Ų133.861%0.60870%0.7SS**  cis175.6124.2-11.41690000102.6
437D32.5Very low37Very low155 Ų155132.9 Ų132.983%0.82971%0.706SS**  trans51.673.3158.9-55.6-23.6000118.2
438E32.3Very low35.9Very low187 Ų187134.9 Ų134.987%0.87472%0.716SS**  trans-128.4125146.5-75-168.3168.800110N440E438-N440 PolarHBondContact O-N 3.09Å
439E31.3Very low34.6Very low186 Ų186137.4 Ų137.487%0.86973%0.726SS**  trans-58.6121.2-177.3-64.8179.5154.300110.3I441E439-I441 PolarHBondContact O-N 3.02Å
440N31.1Very low33.8Very low138 Ų138135.2 Ų135.274%0.73872%0.722SS**  trans-62.691.9176.3-73.8-53.9000110.7E438 I442E438-N440 PolarHBondContact O-N 3.09Å; N440-I442 VanDerWaalsContact C-N 3.28Å; N440-I442 PolarHBondContact O-N 2.96Å
441I31.5Very low33.3Very low159 Ų159139.2 Ų139.282%0.81573%0.731SS**  trans-73.892160.3-60.1175.6000106.1E439 D443E439-I441 PolarHBondContact O-N 3.02Å; I441-D443 PolarHBondContact O-N 2.88Å
442I34Very low32.7Very low147 Ų147138.5 Ų138.575%0.75473%0.732SS**  trans-63.6104.8169.9-62.6170.4000106.4N440 D444N440-I442 VanDerWaalsContact C-N 3.28Å; N440-I442 PolarHBondContact O-N 2.96Å; I442-D444 PolarHBondContact O-N 3.11Å; I442-D444 VanDerWaalsContact O-N 3.1Å
443D33.2Very low32.4Very low96 Ų96135.6 Ų135.651%0.51373%0.725SS.*  trans-62.1107.2173.3-165.45.4000108I441 K445I441-D443 PolarHBondContact O-N 2.88Å; D443-K445 PolarHBondContact O-N 3.13Å
444D38.9Very low32.3Very low136 Ų136138.1 Ų138.173%0.72772%0.719SS**THydrogen-bonded Turntrans-68.220.6-173.9-155.918.7000113.6I442I442-D444 PolarHBondContact O-N 3.11Å; I442-D444 VanDerWaalsContact O-N 3.1Å
445K33.1Very low32.2Very low176 Ų176140.4 Ų140.477%0.76572%0.722SS**THydrogen-bonded Turntrans-993.5178.6-68.7-172.1176.7-178.40114D443D443-K445 PolarHBondContact O-N 3.13Å
446L33.2Very low32.2Very low111 Ų111141.3 Ų141.358%0.58172%0.717SS**SBendtrans-89.4-1.2176.3-100.5122.3000114.3E448L446-E448 VanDerWaalsContact C-N 3.33Å; L446-E448 PolarHBondContact O-N 3.23Å
447S33.9Very low32Very low94 Ų94146.4 Ų146.466%0.65773%0.729SS**SBendtrans-81.5-2.4-178.656.30000115
448E30.6Very low31.8Very low176 Ų176143.7 Ų143.782%0.82272%0.718SS**  trans-101.134.9177.7-67-170.9172.500114L446 P450L446-E448 VanDerWaalsContact C-N 3.33Å; L446-E448 PolarHBondContact O-N 3.23Å; E448-P450 VanDerWaalsContact O-CD 3.26Å; E448-P450 WeakPolarHBondContact O-CD 3.3Å
449L29.4Very low31.5Very low123 Ų123139.9 Ų139.964%0.64471%0.707SS**  trans-97.5100.3164.3-75.1165.3000108.5Y451L449-Y451 PolarHBondContact O-N 3.25Å
450P33.1Very low31.3Very low88 Ų88142.3 Ų142.357%0.57171%0.708SS**  trans-73.5134.5173.133.1-33.1000108E448E448-P450 VanDerWaalsContact O-CD 3.26Å; E448-P450 WeakPolarHBondContact O-CD 3.3Å
451Y33.1Very low31Very low180 Ų180142.5 Ų142.571%0.70671%0.706SS**  trans8278.6170.2-36.4-69.1000116.3L449 A499L449-Y451 PolarHBondContact O-N 3.25Å; Y451-A499 HydrophobicContact CD1-CB 3.53Å; Y451-A499 HydrophobicContact CE1-CB 3.29Å; Y451-A499 HydrophobicContact CG-CB 4.48Å
452D32.6Very low30.7Very low154 Ų154144.1 Ų144.182%0.82471%0.711SS**  trans-100.9111.4151.7-151.8-2.6000108.1M454D452-M454 VanDerWaalsContact C-N 3.31Å; D452-M454 PolarHBondContact O-N 2.92Å
453V32.3Very low30.3Very low91 Ų91141.7 Ų141.755%0.55270%0.703SS**  trans-89.474.8178.8-172.40000107.5
454M30.3Very low30.1Very low124 Ų124146 Ų14661%0.61172%0.72SS**  trans-145.4113.6154.3-81.7-133.5-170.300108.5D452 D456D452-M454 VanDerWaalsContact C-N 3.31Å; D452-M454 PolarHBondContact O-N 2.92Å; M454-D456 PolarHBondContact O-N 3.48Å
455Y29.5Very low29.6Very low222 Ų222144.5 Ų144.587%0.87172%0.72SS**  trans-66.8100.2174-102.4-100.2000108.5F457Y455-F457 VanDerWaalsContact C-N 3.33Å; Y455-F457 PolarHBondContact O-N 3.4Å
456D28.5Very low29.7Very low137 Ų137141.5 Ų141.573%0.73372%0.718SS**  trans-6791175.4-144.91.1000108.3M454 V458M454-D456 PolarHBondContact O-N 3.48Å; D456-V458 PolarHBondContact O-N 3.05Å
457F27.7Very low29.8Very low195 Ų195146.5 Ų146.586%0.85574%0.735SS**  trans-76.147.5169.3-135.2-81.3000109.7Y455Y455-F457 VanDerWaalsContact C-N 3.33Å; Y455-F457 PolarHBondContact O-N 3.4Å
458V27.7Very low29.7Very low97 Ų97145.1 Ų145.159%0.58874%0.736SS**  trans-111.898.4163.2-172.50000105.3D456 R460D456-V458 PolarHBondContact O-N 3.05Å; V458-R460 VanDerWaalsContact C-N 3.27Å; V458-R460 PolarHBondContact O-N 2.51Å
459V25.7Very low29.9Very low108 Ų108144.3 Ų144.366%0.65574%0.737SS**  trans-42.599.9159179.70000106.8M461V459-M461 HydrophobicContact CG1-CB 4.4Å; V459-M461 HydrophobicContact CG1-CG 3.75Å; V459-M461 PolarHBondContact O-N 2.81Å
460R27.4Very low30.2Very low237 Ų237148.3 Ų148.389%0.89475%0.749SS**  trans-67.375.6159.6-91.6-174.6174-179.3-0.3105.1V458 E462V458-R460 VanDerWaalsContact C-N 3.27Å; V458-R460 PolarHBondContact O-N 2.51Å; R460-E462 VanDerWaalsContact C-N 3.33Å; R460-E462 PolarHBondContact O-N 2.88Å
461M24.5Very low30.6Very low141 Ų141155.5 Ų155.570%0.69577%0.765SS**  trans-54.8111.8155.3-92.8-158.4164.300104.1V459 T463V459-M461 HydrophobicContact CG1-CB 4.4Å; V459-M461 HydrophobicContact CG1-CG 3.75Å; V459-M461 PolarHBondContact O-N 2.81Å; M461-T463 HydrophobicContact CB-CG2 4.24Å; M461-T463 PolarHBondContact O-N 3.33Å; M461-T463 PolarHBondContact O-OG1 3.32Å
462E26.5Very low31Very low194 Ų194154.5 Ų154.591%0.90777%0.771SS**  trans-50.282.8158.5-68.5178.4144.900107.5R460R460-E462 VanDerWaalsContact C-N 3.33Å; R460-E462 PolarHBondContact O-N 2.88Å
463T24.9Very low31.8Very low95 Ų95155.1 Ų155.158%0.58377%0.769SS**  trans-104.785.7167.5390000104.4M461 S465M461-T463 HydrophobicContact CB-CG2 4.24Å; M461-T463 PolarHBondContact O-N 3.33Å; M461-T463 PolarHBondContact O-OG1 3.32Å; T463-S465 PolarHBondContact O-N 3.26Å
464Q28.5Very low32.4Very low188 Ų188156.5 Ų156.588%0.87978%0.78SS**  trans-36.997.7131.1-64.2178.710.100106.7P466Q464-P466 WeakPolarHBondContact O-CD 2.98Å
465S28.7Very low33.5Very low104 Ų104156.1 Ų156.173%0.72779%0.785SS**  trans-97.8103.4172.8-106.70000107.2T463T463-S465 PolarHBondContact O-N 3.26Å
466P36.2Very low34.5Very low113 Ų113154 Ų15473%0.73478%0.78SS**  trans-64.8151170.626.8-30.2000109.6Q464 G468Q464-P466 WeakPolarHBondContact O-CD 2.98Å; P466-G468 PolarHBondContact O-N 3.03Å
467K35Very low35.7Very low216 Ų216156.9 Ų156.994%0.93978%0.781SS**SBendtrans-26.9119.2171.4-66.5174.8175176.60113.1
468G32Very low37.1Very low64 Ų64155 Ų15566%0.6677%0.774SS**  trans97.583.4156.700000115.9P466P466-G468 PolarHBondContact O-N 3.03Å
469N34.3Very low39Very low159 Ų159157.1 Ų157.185%0.8578%0.781SS**  -176.6129.1111.1-95.4-26.2000109.5R471N469-R471 VanDerWaalsContact C-N 3.34Å; N469-R471 PolarHBondContact O-N 3.1Å
470K36.2Very low40.4Very low207 Ų207159.3 Ų159.390%0.978%0.784SS**  trans-56.889.3178-62.2174.6178.4-178.30109.9L472K470-L472 PolarHBondContact O-N 3.24Å
471R40.2Very low42Very low240 Ų240156.3 Ų156.391%0.90678%0.78SS**  trans-77.5109.3156.8-76.5-170.5175.9-169.50105.7N469 Q473N469-R471 VanDerWaalsContact C-N 3.34Å; N469-R471 PolarHBondContact O-N 3.1Å; R471-Q473 PolarHBondContact O-N 3.05Å
472L42.2Very low44Very low158 Ų158158 Ų15883%0.82778%0.783SS**  trans-43.2109.5176.8-69.3140.1000108.8K470K470-L472 PolarHBondContact O-N 3.24Å
473Q50.2Low46Very low168 Ų168153.4 Ų153.479%0.78577%0.768SS**  trans-53.6138160.2-76.7174.6-600106.9R471 T475R471-Q473 PolarHBondContact O-N 3.05Å; Q473-T475 PolarHBondContact O-N 3.35Å
474P43.3Very low48.4Very low120 Ų120156 Ų15678%0.77977%0.772SS**  trans-51.2118176.9-22.631.3000108.9F476P474-F476 PolarHBondContact O-N 2.85Å
475T54.1Low50.7Low116 Ų116154.7 Ų154.771%0.71276%0.759SS**SBendtrans-70.53.4-171.847.20000113.6Q473Q473-T475 PolarHBondContact O-N 3.35Å
476F50.3Low53.1Low176 Ų176152.3 Ų152.377%0.77274%0.738SS**SBendtrans-127.8123178.2-69.9-79000109.9P474 H478P474-F476 PolarHBondContact O-N 2.85Å; F476-H478 PolarHBondContact O-N 2.84Å
477R54Low55.1Low199 Ų199155 Ų15575%0.75175%0.746SS**  trans-55.8105170.1-124-178.1-159.3-169.26.4107.7D430 I479D430-R477 IonicContact OD1-CZ 2.77Å; D430-R477 IonicContact OD1-NH1 3.06Å; D430-R477 PolarHBondContact OD1-NH1 3.34Å; D430-R477 IonicContact OD1-NH2 3.85Å; D430-R477 PolarHBondContact OD1-NH2 3.25Å; D430-R477 IonicContact OD2-NH1 3.29Å; R477-I479 PolarHBondContact O-N 2.79Å
478H56.9Low57.3Low156 Ų156154.8 Ų154.872%0.72274%0.741SS**  trans-85.7103.5170.6-174.6-65.2000107.6F476 E480F476-H478 PolarHBondContact O-N 2.84Å; H478-E480 PolarHBondContact O-N 2.87Å
479I67.8Low59.3Low141 Ų141154.3 Ų154.372%0.72374%0.736SS**  trans-75.5108.8169.4-60.9170.3000106R477 E481R477-I479 PolarHBondContact O-N 2.79Å; I479-E481 PolarHBondContact O-N 2.91Å
480E54.6Low61.3Low154 Ų154153.5 Ų153.572%0.7273%0.727SS**  trans-67.4113.3171.3-71.9-175.9173.500109.1H478 K482H478-E480 PolarHBondContact O-N 2.87Å; E480-K482 PolarHBondContact O-N 2.79Å
481E61.8Low63.2Low173 Ų173149.4 Ų149.481%0.80871%0.714SS**  trans-71.5128.8176.5-66-171.9166.200109.5I479 V483I479-E481 PolarHBondContact O-N 2.91Å; E481-V483 PolarHBondContact O-N 3Å
482K65.6Low64.5Low177 Ų177141.2 Ų141.277%0.7769%0.687SS**  trans-63.3107.9175.2-65.4-175.1178.8-171.70109.1E480 K484E480-K482 PolarHBondContact O-N 2.79Å; K482-K484 PolarHBondContact O-N 2.95Å; K482-K484 VanDerWaalsContact O-N 3.14Å
483V69.7Low65.9Low97 Ų97138.3 Ų138.359%0.58867%0.669SS**  trans-60.7113.5176179.50000108.4E481 W485 I492E481-V483 PolarHBondContact O-N 3Å; V483-W485 WeakPolarHBondContact CG1-O 3.27Å; V483-I492 HydrophobicContact CG1-CD1 3.97Å
484K75.2Confident66.4Low150 Ų150133.7 Ų133.765%0.65266%0.66SS**  trans-91.3-15.4-179.6-67.8-176.2-177.4176.70112.9K482 I491 I492K482-K484 PolarHBondContact O-N 2.95Å; K482-K484 VanDerWaalsContact O-N 3.14Å; K484-I491 WeakPolarHBondContact O-CA 3.38Å; K484-I492 PolarHBondContact O-N 2.59Å
485W77.5Confident67.2Low160 Ų160134.2 Ų134.261%0.60666%0.656SS**BIsolated β-bridgetrans-137.8146.9-177.254.979.7000110.4V483 E490V483-W485 WeakPolarHBondContact CG1-O 3.27Å; W485-E490 CarbonylContact C-O 3.24Å; W485-E490 WeakPolarHBondContact CA-O 3.08Å; W485-E490 WeakPolarHBondContact CB-O 3.46Å
486D77.2Confident67.3Low55 Ų55134.7 Ų134.729%0.29465%0.65SS.*  trans-75.2178.917671.93.7000112.6Y488 G489 E490 I492D486-Y488 PolarHBondContact O-N 3.12Å; D486-Y488 WeakPolarHBondContact OD1-CA 3.41Å; D486-Y488 WeakPolarHBondContact OD1-CB 3.26Å; D486-Y488 PolarHBondContact OD1-N 2.89Å; D486-G489 PolarHBondContact O-N 3.13Å; D486-G489 PolarHBondContact OD1-N 2.92Å; D486-E490 PolarHBondContact N-O 3.14Å; D486-E490 PolarHBondContact OD1-N 3.47Å; D486-I492 HydrophobicContact CB-CG1 4.49Å
487D78.9Confident67.7Low168 Ų168132.8 Ų132.890%0.89864%0.639SS**THydrogen-bonded Turntrans-61.4-13.3178.8-68.1-18.8000113.6
488Y80.4Confident67.5Low213 Ų213125.5 Ų125.584%0.83562%0.621SS**THydrogen-bonded Turntrans-101.6-3177.8-61.1-77000113.1D486D486-Y488 PolarHBondContact O-N 3.12Å; D486-Y488 WeakPolarHBondContact OD1-CA 3.41Å; D486-Y488 WeakPolarHBondContact OD1-CB 3.26Å; D486-Y488 PolarHBondContact OD1-N 2.89Å
489G75.2Confident67.5Low54 Ų54120 Ų12056%0.55760%0.602SS**SBendtrans87.511.817700000115D486D486-G489 PolarHBondContact O-N 3.13Å; D486-G489 PolarHBondContact OD1-N 2.92Å
490E76.7Confident66.6Low141 Ų141117.4 Ų117.466%0.65960%0.602SS**  trans-84.4140.9174.2-67.4-163.6172.300111.5W485 D486 I492W485-E490 CarbonylContact C-O 3.24Å; W485-E490 WeakPolarHBondContact CA-O 3.08Å; W485-E490 WeakPolarHBondContact CB-O 3.46Å; D486-E490 PolarHBondContact N-O 3.14Å; D486-E490 PolarHBondContact OD1-N 3.47Å; E490-I492 PolarHBondContact O-N 2.96Å
491I76.5Confident66Low122 Ų122115.1 Ų115.163%0.62659%0.591SS**BIsolated β-bridgetrans-68.6126.2-179.1-61.5171.9000109.6K484 H493K484-I491 WeakPolarHBondContact O-CA 3.38Å; I491-H493 PolarHBondContact O-CD2 2.83Å; I491-H493 PolarHBondContact O-N 3.46Å
492I67.5Low65.1Low68 Ų68108.5 Ų108.535%0.34957%0.57SS.*  trans-73102.9176.6-57.8177.2000108.4V483 K484 D486 E490 A494 Y497V483-I492 HydrophobicContact CG1-CD1 3.97Å; K484-I492 PolarHBondContact O-N 2.59Å; D486-I492 HydrophobicContact CB-CG1 4.49Å; E490-I492 PolarHBondContact O-N 2.96Å; I492-A494 PolarHBondContact O-N 2.91Å; I492-Y497 HydrophobicContact CG2-CD2 4.25Å; I492-Y497 HydrophobicContact CG2-CE2 3.84Å
493H70.9Confident64.2Low96 Ų96102.9 Ų102.944%0.44456%0.556SS.*  trans-77.1107.3171.9-69.4-77.4000109.5I491 D495 H496 Y497I491-H493 PolarHBondContact O-CD2 2.83Å; I491-H493 PolarHBondContact O-N 3.46Å; H493-D495 PolarHBondContact O-N 3.39Å; H493-H496 WeakPolarHBondContact O-CB 3.3Å; H493-H496 PolarHBondContact O-N 3.49Å; H493-Y497 WeakPolarHBondContact O-CD2 3.3Å
494A60.7Low63Low71 Ų71104.6 Ų104.659%0.58756%0.558SS**G310 helixtrans-53.7-30178.500000112.7I492 H496 Y497 A498I492-A494 PolarHBondContact O-N 2.91Å; A494-H496 VanDerWaalsContact C-N 3.3Å; A494-H496 PolarHBondContact O-N 3.28Å; A494-Y497 CarbonylContact O-C 3.57Å; A494-Y497 PolarHBondContact O-N 2.85Å; A494-A498 PolarHBondContact O-N 2.8Å
495D59.1Low61.5Low132 Ų132104.2 Ų104.271%0.70655%0.552SS**G310 helixtrans-65.5-30.2179.6-46.1-25.1000112.5H493 Y497 A498H493-D495 PolarHBondContact O-N 3.39Å; D495-Y497 PolarHBondContact O-N 3.29Å; D495-A498 PolarHBondContact O-N 2.88Å
496H56.1Low60.1Low126 Ų12698.6 Ų98.658%0.58354%0.54SS*.G310 helixtrans-68.4-19.5174.1-66.5-178.7000112.4H493 A494H493-H496 WeakPolarHBondContact O-CB 3.3Å; H493-H496 PolarHBondContact O-N 3.49Å; A494-H496 VanDerWaalsContact C-N 3.3Å; A494-H496 PolarHBondContact O-N 3.28Å
497Y58.6Low58.7Low136 Ų13697.2 Ų97.253%0.53353%0.533SS..G310 helixtrans-111.1-0178.2-57.6-87.1000112.4I492 H493 A494 D495I492-Y497 HydrophobicContact CG2-CD2 4.25Å; I492-Y497 HydrophobicContact CG2-CE2 3.84Å; H493-Y497 WeakPolarHBondContact O-CD2 3.3Å; A494-Y497 CarbonylContact O-C 3.57Å; A494-Y497 PolarHBondContact O-N 2.85Å; D495-Y497 PolarHBondContact O-N 3.29Å
498A51.7Low57.3Low45 Ų4594.7 Ų94.737%0.37252%0.516SS..SBendtrans-68.9140.2176.400000109.6A494 D495 A500 E501A494-A498 PolarHBondContact O-N 2.8Å; D495-A498 PolarHBondContact O-N 2.88Å; A498-A500 PolarHBondContact O-N 2.82Å; A498-E501 PolarHBondContact O-N 3.33Å
499A55Low55.8Low40 Ų4088 Ų8833%0.33149%0.494SS..THydrogen-bonded Turntrans-60.59.7-162.900000118Y451 E501 G502Y451-A499 HydrophobicContact CD1-CB 3.53Å; Y451-A499 HydrophobicContact CE1-CB 3.29Å; Y451-A499 HydrophobicContact CG-CB 4.48Å; A499-E501 PolarHBondContact O-N 2.95Å; A499-G502 VanDerWaalsContact C-N 3.31Å; A499-G502 VanDerWaalsContact O-CA 3.32Å; A499-G502 WeakPolarHBondContact O-CA 3.46Å; A499-G502 PolarHBondContact O-N 2.81Å
500A49.6Very low54.6Low87 Ų8790.1 Ų90.172%0.71949%0.492SS*.Hα-helixtrans-58.9-38.9165.800000111.1A498 G502A498-A500 PolarHBondContact O-N 2.82Å; A500-G502 VanDerWaalsContact C-N 3.26Å; A500-G502 PolarHBondContact O-N 2.97Å
501E42.4Very low53.4Low106 Ų10692.3 Ų92.350%0.49549%0.494SS..Hα-helixtrans-75.6-15.6168.6-69.6-165.6167.300112.8A498 A499 A503 Q504 R505A498-E501 PolarHBondContact O-N 3.33Å; A499-E501 PolarHBondContact O-N 2.95Å; E501-A503 VanDerWaalsContact C-N 3.27Å; E501-A503 PolarHBondContact O-N 2.96Å; E501-Q504 CarbonylContact O-C 3.54Å; E501-Q504 PolarHBondContact O-N 2.91Å; E501-Q504 VanDerWaalsContact O-N 3.12Å; E501-R505 WeakPolarHBondContact O-CB 2.95Å; E501-R505 PolarHBondContact O-N 2.87Å
502G43.5Very low52.2Low35 Ų3593.9 Ų93.936%0.36150%0.498SS..Hα-helixtrans-62.3-31.5178.600000113.1A499 A500 A506A499-G502 VanDerWaalsContact C-N 3.31Å; A499-G502 VanDerWaalsContact O-CA 3.32Å; A499-G502 WeakPolarHBondContact O-CA 3.46Å; A499-G502 PolarHBondContact O-N 2.81Å; A500-G502 VanDerWaalsContact C-N 3.26Å; A500-G502 PolarHBondContact O-N 2.97Å; G502-A506 WeakPolarHBondContact O-CA 3.39Å; G502-A506 WeakPolarHBondContact O-CB 3.22Å; G502-A506 PolarHBondContact O-N 3.28Å
503A46.3Very low51.4Low58 Ų58100.3 Ų100.348%0.47952%0.519SS..Hα-helixtrans-70.4-41.6172.300000111.6E501 A506 V507E501-A503 VanDerWaalsContact C-N 3.27Å; E501-A503 PolarHBondContact O-N 2.96Å; A503-A506 PolarHBondContact O-N 3.41Å; A503-V507 VanDerWaalsContact O-CG2 3.28Å; A503-V507 WeakPolarHBondContact O-CG2 3.28Å; A503-V507 PolarHBondContact O-N 3.46Å
504Q43.9Very low50Low134 Ų134100.9 Ų100.963%0.62653%0.525SS*.Hα-helixtrans-67.4-42.9174.3-96.3154.1-28.800112.4E501 V507 E508E501-Q504 CarbonylContact O-C 3.54Å; E501-Q504 PolarHBondContact O-N 2.91Å; E501-Q504 VanDerWaalsContact O-N 3.12Å; Q504-V507 WeakPolarHBondContact O-CB 3.5Å; Q504-V507 PolarHBondContact O-N 3.32Å; Q504-E508 PolarHBondContact O-N 3.4Å
505R44.1Very low49.4Very low141 Ų141102.3 Ų102.353%0.53253%0.528SS..Hα-helixtrans-66.6-34.9171.8-93-174.7176.5166.63.1112.6E501 V507 E508 I509E501-R505 WeakPolarHBondContact O-CB 2.95Å; E501-R505 PolarHBondContact O-N 2.87Å; R505-V507 VanDerWaalsContact C-N 3.3Å; R505-E508 CarbonylContact O-C 3.57Å; R505-E508 PolarHBondContact O-N 3.32Å; R505-I509 WeakPolarHBondContact O-CB 3.48Å; R505-I509 WeakPolarHBondContact O-CD1 3.36Å; R505-I509 WeakPolarHBondContact O-CG1 3.36Å; R505-I509 PolarHBondContact O-N 3.06Å
506A47.6Very low48.7Very low43 Ų43103.6 Ų103.636%0.35554%0.535SS..Hα-helixtrans-63.9-39.717300000110.6G502 A503 I509 I510G502-A506 WeakPolarHBondContact O-CA 3.39Å; G502-A506 WeakPolarHBondContact O-CB 3.22Å; G502-A506 PolarHBondContact O-N 3.28Å; A503-A506 PolarHBondContact O-N 3.41Å; A506-I509 PolarHBondContact O-N 2.99Å; A506-I510 VanDerWaalsContact O-CB 3.29Å; A506-I510 WeakPolarHBondContact O-CB 3.41Å; A506-I510 WeakPolarHBondContact O-CD1 3.43Å; A506-I510 WeakPolarHBondContact O-CG1 3.47Å; A506-I510 PolarHBondContact O-N 3.32Å
507V48.6Very low48Very low25 Ų25102.4 Ų102.415%0.15253%0.533CS..Hα-helixtrans-63.1-41.6171.7172.40000111.5A503 Q504 R505 R511 V522 L524A503-V507 VanDerWaalsContact O-CG2 3.28Å; A503-V507 WeakPolarHBondContact O-CG2 3.28Å; A503-V507 PolarHBondContact O-N 3.46Å; Q504-V507 WeakPolarHBondContact O-CB 3.5Å; Q504-V507 PolarHBondContact O-N 3.32Å; R505-V507 VanDerWaalsContact C-N 3.3Å; V507-R511 WeakPolarHBondContact O-CB 3.1Å; V507-R511 WeakPolarHBondContact O-CG 3.09Å; V507-R511 PolarHBondContact O-N 3.46Å; V507-V522 HydrophobicContact CG1-CG2 4.4Å; V507-V522 HydrophobicContact CG2-CG1 4.15Å; V507-V522 HydrophobicContact CG2-CG2 4.39Å; V507-L524 HydrophobicContact CG2-CD1 4.32Å
508E48.9Very low47.3Very low116 Ų116101.7 Ų101.754%0.54255%0.545SS..Hα-helixtrans-65.7-44.1174.4-72.2-179.4164.800112.4Q504 R505 I510 R511 E512Q504-E508 PolarHBondContact O-N 3.4Å; R505-E508 CarbonylContact O-C 3.57Å; R505-E508 PolarHBondContact O-N 3.32Å; E508-I510 PolarHBondContact O-N 2.97Å; E508-R511 CarbonylContact O-C 3.49Å; E508-R511 WeakPolarHBondContact O-CB 3.39Å; E508-R511 PolarHBondContact O-N 3.47Å; E508-E512 WeakPolarHBondContact O-CG 3.45Å; E508-E512 PolarHBondContact O-N 3.48Å
509I49.5Very low46.9Very low73 Ų73106.5 Ų106.537%0.37456%0.56SS.*Hα-helixtrans-66.2-37177.5-68.7164.3000111.1R505 A506 E512 R513R505-I509 WeakPolarHBondContact O-CB 3.48Å; R505-I509 WeakPolarHBondContact O-CD1 3.36Å; R505-I509 WeakPolarHBondContact O-CG1 3.36Å; R505-I509 PolarHBondContact O-N 3.06Å; A506-I509 PolarHBondContact O-N 2.99Å; I509-E512 PolarHBondContact O-N 2.71Å; I509-R513 HydrophobicContact CG2-CG 4.36Å; I509-R513 VanDerWaalsContact O-CB 3.31Å; I509-R513 WeakPolarHBondContact O-CB 3.42Å; I509-R513 WeakPolarHBondContact O-CG 3.44Å; I509-R513 PolarHBondContact O-N 3.03Å
510I49.9Very low46.2Very low97 Ų97110.7 Ų110.750%0.49757%0.574SS.*Hα-helixtrans-66.9-39.7174.1-70.8164.3000110.1A506 E508 N514A506-I510 VanDerWaalsContact O-CB 3.29Å; A506-I510 WeakPolarHBondContact O-CB 3.41Å; A506-I510 WeakPolarHBondContact O-CD1 3.43Å; A506-I510 WeakPolarHBondContact O-CG1 3.47Å; A506-I510 PolarHBondContact O-N 3.32Å; E508-I510 PolarHBondContact O-N 2.97Å; I510-N514 PolarHBondContact O-N 2.89Å; I510-N514 VanDerWaalsContact O-N 3.16Å
511R50.2Low45.7Very low188 Ų188110.3 Ų110.371%0.70956%0.564SS**Hα-helixtrans-63.8-38.9171.6-78.8178.2172.4178.8-0.1112.6V507 E508V507-R511 WeakPolarHBondContact O-CB 3.1Å; V507-R511 WeakPolarHBondContact O-CG 3.09Å; V507-R511 PolarHBondContact O-N 3.46Å; E508-R511 CarbonylContact O-C 3.49Å; E508-R511 WeakPolarHBondContact O-CB 3.39Å; E508-R511 PolarHBondContact O-N 3.47Å
512E51.4Low45.6Very low154 Ų154108.4 Ų108.472%0.7256%0.56SS**Hα-helixtrans-72.7-36.1177.5-75.5-175.3168.100113E508 I509E508-E512 WeakPolarHBondContact O-CG 3.45Å; E508-E512 PolarHBondContact O-N 3.48Å; I509-E512 PolarHBondContact O-N 2.71Å
513R50.9Low45.5Very low204 Ų204112.1 Ų112.177%0.7757%0.571SS**Hα-helixtrans-73.5-31.1179.6-82.2-177.8172.4-177.2-1113.4I509 P515I509-R513 HydrophobicContact CG2-CG 4.36Å; I509-R513 VanDerWaalsContact O-CB 3.31Å; I509-R513 WeakPolarHBondContact O-CB 3.42Å; I509-R513 WeakPolarHBondContact O-CG 3.44Å; I509-R513 PolarHBondContact O-N 3.03Å; R513-P515 VanDerWaalsContact C-CD 3.44Å; R513-P515 WeakPolarHBondContact O-CD 3.32Å
514N42Very low45Very low107 Ų107114.4 Ų114.457%0.57257%0.574SS**  trans-122.872.5178.7-84.4-22.9000111.6I510 N516 D517I510-N514 PolarHBondContact O-N 2.89Å; I510-N514 VanDerWaalsContact O-N 3.16Å; N514-N516 PolarHBondContact O-N 3.28Å; N514-D517 PolarHBondContact O-N 3.33Å
515P47.4Very low44.8Very low102 Ų102114.7 Ų114.766%0.66258%0.577SS**THydrogen-bonded Turntrans-63.8-13.717824.6-32.8000113.7R513R513-P515 VanDerWaalsContact C-CD 3.44Å; R513-P515 WeakPolarHBondContact O-CD 3.32Å
516N44.6Very low44.3Very low158 Ų158115 Ų11585%0.84559%0.59SS**THydrogen-bonded Turntrans-98.31.8-177.3-70-20.4000114.9N514 P518N514-N516 PolarHBondContact O-N 3.28Å; N516-P518 VanDerWaalsContact C-CD 3.47Å
517D42Very low43.9Very low101 Ų101119.6 Ų119.654%0.5461%0.613SS.*  trans-128.473.7177.1-157.5-9.6000112.4N514 E519N514-D517 PolarHBondContact O-N 3.33Å; D517-E519 PolarHBondContact O-N 3.12Å
518P44.5Very low43.3Very low121 Ų121123.4 Ų123.479%0.78664%0.641SS**THydrogen-bonded Turntrans-73.72.4176.428.9-33.3000114.4N516N516-P518 VanDerWaalsContact C-CD 3.47Å
519E42Very low42.9Very low146 Ų146125.7 Ų125.768%0.68265%0.651SS**THydrogen-bonded Turntrans-104.913.8-171.6-71.2-171.3174.800115D517 P521D517-E519 PolarHBondContact O-N 3.12Å; E519-P521 WeakPolarHBondContact O-CD 3.44Å
520M41.4Very low42.9Very low128 Ų128129.6 Ų129.663%0.63167%0.668SS**  trans-90.599.2168.6-150.5-136.3-117.200110.4V522M520-V522 PolarHBondContact O-N 2.73Å
521P39.4Very low43.4Very low79 Ų79132.8 Ų132.851%0.51368%0.681SS.*  trans-66.2109.5166.625.1-29.9000107.7F279 E519 L523F279-P521 HydrophobicContact CE1-CG 4.34Å; F279-P521 HydrophobicContact CZ-CG 4.32Å; E519-P521 WeakPolarHBondContact O-CD 3.44Å; P521-L523 PolarHBondContact O-N 2.86Å
522V40.2Very low44.4Very low67 Ų67128.6 Ų128.641%0.40667%0.671SS.*  trans-61.1122.9171.8-169.60000107.1V507 M520 L524V507-V522 HydrophobicContact CG1-CG2 4.4Å; V507-V522 HydrophobicContact CG2-CG1 4.15Å; V507-V522 HydrophobicContact CG2-CG2 4.39Å; M520-V522 PolarHBondContact O-N 2.73Å; V522-L524 HydrophobicContact CG1-CD1 4.44Å; V522-L524 HydrophobicContact CG1-CG 4.09Å; V522-L524 PolarHBondContact O-N 3.09Å
523L41Very low46Very low112 Ų112121.9 Ų121.959%0.58664%0.64SS**  trans-58.886.4171.1-75.3157.7000109Y99 P521Y99-L523 HydrophobicContact CE2-CD2 4.18Å; P521-L523 PolarHBondContact O-N 2.86Å
524L35.6Very low47.7Very low107 Ų107114.7 Ų114.756%0.5662%0.619SS**  trans-116.286.9166.4-67.6173.3000106.5V507 V522V507-L524 HydrophobicContact CG2-CD1 4.32Å; V522-L524 HydrophobicContact CG1-CD1 4.44Å; V522-L524 HydrophobicContact CG1-CG 4.09Å; V522-L524 PolarHBondContact O-N 3.09Å
525M39.3Very low49.9Very low140 Ų140112.7 Ų112.769%0.6961%0.605SS**  trans-63.5127148.6-84.8172.262.700105.9V527M525-V527 WeakPolarHBondContact O-CG2 3.45Å; M525-V527 PolarHBondContact O-N 3.01Å
526D34.9Very low51.9Low148 Ų148109.5 Ų109.579%0.79159%0.585SS**  trans-47.4106.1-178.9-71.4-43.8000111.2S528D526-S528 PolarHBondContact O-N 3.4Å
527V38Very low54.1Low138 Ų138104.6 Ų104.684%0.83656%0.558SS**THydrogen-bonded Turntrans-85.614.4179.7-163.30000111.4M525M525-V527 WeakPolarHBondContact O-CG2 3.45Å; M525-V527 PolarHBondContact O-N 3.01Å
528S36.9Very low56.5Low106 Ų106107.7 Ų107.774%0.74156%0.562SS**THydrogen-bonded Turntrans-98.5-3.5-171.759.60000115.7D526D526-S528 PolarHBondContact O-N 3.4Å
529E41Very low58.8Low163 Ų163104.3 Ų104.376%0.76254%0.537SS*.SBendtrans-95.6120.4170.8-64.4-168.5172.500109.4E531E529-E531 VanDerWaalsContact C-N 3.26Å; E529-E531 PolarHBondContact O-N 2.91Å
530E49Very low61.3Low155 Ų155102.3 Ų102.372%0.72454%0.535SS*.  trans-56.894.7164.9-71.1-171.8150.200107.9M532E530-M532 PolarHBondContact O-N 3.25Å
531E60.7Low63.7Low165 Ų16599.1 Ų99.177%0.77152%0.518SS*.  trans-56.1111.7-179-74.8-170.3160.700108.7E529E529-E531 VanDerWaalsContact C-N 3.26Å; E529-E531 PolarHBondContact O-N 2.91Å
532M71.3Confident66.3Low100 Ų100101.3 Ų101.349%0.49353%0.526SS..  trans-56.7137.1175.3-69.9-171.573.600109.1L391 L397 E530 T534L391-M532 HydrophobicContact CD2-CB 4.23Å; L397-M532 HydrophobicContact CD2-CE 4.1Å; E530-M532 PolarHBondContact O-N 3.25Å; M532-T534 WeakPolarHBondContact O-CG2 3.08Å
533P83.6Confident68.7Low12 Ų1299 Ų998%0.07851%0.511CS..  trans-65.6147.2-174.930.8-38.5000110.9L392 L397 Y400L392-P533 HydrophobicContact CB-CG 4.25Å; L392-P533 HydrophobicContact CD1-CB 3.73Å; L392-P533 HydrophobicContact CD1-CG 3.88Å; L392-P533 HydrophobicContact CG-CB 4.3Å; L392-P533 HydrophobicContact CG-CG 4.36Å; L392-P533 PolarHBondContact N-O 3.42Å; L397-P533 HydrophobicContact CD1-CG 3.34Å; Y400-P533 HydrophobicContact CD1-CB 3.69Å; Y400-P533 HydrophobicContact CD1-CG 3.49Å; Y400-P533 VanDerWaalsContact CD1-CG 3.49Å; Y400-P533 HydrophobicContact CD2-CB 3.87Å; Y400-P533 HydrophobicContact CD2-CG 4.42Å; Y400-P533 HydrophobicContact CE1-CB 3.63Å; Y400-P533 HydrophobicContact CE1-CG 3.78Å; Y400-P533 HydrophobicContact CE2-CB 3.81Å; Y400-P533 HydrophobicContact CG-CB 3.8Å; Y400-P533 HydrophobicContact CG-CG 3.85Å
534T86.3Confident71.2Confident53 Ų5398.4 Ų98.433%0.32551%0.505SS..EExtended strand (participates in β ladder)trans-129.4157.7-173.562.10000111.7R389 V390 L391 M532R389-T534 VanDerWaalsContact CD-OG1 3.27Å; R389-T534 WeakPolarHBondContact CD-OG1 3.45Å; R389-T534 HydrophobicContact CG-CG2 4.11Å; R389-T534 WeakPolarHBondContact CG-OG1 3.27Å; R389-T534 PolarHBondContact NH1-OG1 3.33Å; V390-T534 CarbonylContact O-C 3.56Å; V390-T534 VanDerWaalsContact O-CA 3.31Å; V390-T534 WeakPolarHBondContact O-CA 3.48Å; V390-T534 WeakPolarHBondContact O-CB 3.45Å; L391-T534 HydrophobicContact CD2-CG2 3.75Å; M532-T534 WeakPolarHBondContact O-CG2 3.08Å
535K89.3Confident74Confident66 Ų6693.6 Ų93.629%0.28748%0.48SS..EExtended strand (participates in β ladder)trans-126.3154.717065.8179.2177-176.10111.7R389 V390 L392 E396 L537R389-K535 CarbonylContact C-O 3.34Å; R389-K535 WeakPolarHBondContact CA-O 3.28Å; V390-K535 PolarHBondContact N-O 3.47Å; V390-K535 PolarHBondContact O-N 3.49Å; L392-K535 HydrophobicContact CD2-CB 3.71Å; L392-K535 HydrophobicContact CD2-CD 3.76Å; L392-K535 HydrophobicContact CD2-CG 3.77Å; E396-K535 IonicContact OE1-NZ 3.3Å; E396-K535 PolarHBondContact OE1-NZ 3.28Å; E396-K535 WeakPolarHBondContact OE2-CD 3.5Å; E396-K535 VanDerWaalsContact OE2-CE 3.24Å; E396-K535 WeakPolarHBondContact OE2-CE 3.35Å; E396-K535 IonicContact OE2-NZ 3.11Å; E396-K535 PolarHBondContact OE2-NZ 3.17Å; K535-L537 HydrophobicContact CD-CD2 4.23Å; K535-L537 HydrophobicContact CG-CD2 4.46Å
536C88.9Confident76.6Confident35 Ų3590.1 Ų90.124%0.23647%0.467CS..EExtended strand (participates in β ladder)trans-99.8126.1175.9-690000111.6E109 R389E109-C536 VanDerWaalsContact C-SG 3.54Å; E109-C536 WeakPolarHBondContact CA-SG 3.41Å; R389-C536 PolarHBondContact NH2-SG 3.47Å
537L90.6Very high79.4Confident54 Ų5483.1 Ų83.128%0.28343%0.429SS..EExtended strand (participates in β ladder)trans-106.4143.5176.4-59.9-179.7000110.2K387 R388 V390 K535K387-L537 WeakPolarHBondContact CA-O 3.49Å; R388-L537 HydrophobicContact CG-CB 4.11Å; R388-L537 PolarHBondContact N-O 2.83Å; R388-L537 PolarHBondContact O-N 3.28Å; V390-L537 HydrophobicContact CB-CD1 4.43Å; V390-L537 HydrophobicContact CG2-CD1 3.81Å; V390-L537 HydrophobicContact CG2-CG 4.33Å; K535-L537 HydrophobicContact CD-CD2 4.23Å; K535-L537 HydrophobicContact CG-CD2 4.46Å
538R92.5Very high82.2Confident166 Ų16681.1 Ų81.163%0.62641%0.407SS*.EExtended strand (participates in β ladder)trans-118.6122.1173.7-56.4-176.5-177.7-154.51.6108.7E385 K387E385-R538 WeakPolarHBondContact OE1-CD 3.43Å; K387-R538 HydrophobicContact CG-CG 4.43Å
539I92.7Very high85Confident51 Ų5176.4 Ų76.426%0.26237%0.373SS..EExtended strand (participates in β ladder)trans-131.9121-175.4-54.4174.8000108.2V386 Q541V386-I539 PolarHBondContact N-O 3.15Å; V386-I539 PolarHBondContact O-N 3.26Å; I539-Q541 HydrophobicContact CB-CG 4.39Å; I539-Q541 HydrophobicContact CG2-CG 3.74Å; I539-Q541 PolarHBondContact O-N 3.45Å
540V94.4Very high87.6Confident104 Ų10471.3 Ų71.363%0.6335%0.349SS*.EExtended strand (participates in β ladder)trans-77.4119.7169.8-1780000108.3T383 L384T383-V540 HydrophobicContact CG2-CG1 3.56Å; L384-V540 WeakPolarHBondContact O-CA 3.42Å
541Q92Very high89.8Confident60 Ų6067 Ų6728%0.2833%0.331SS..EExtended strand (participates in β ladder)trans-120.8137.9-179.3-62.9-173.82.100110.3T383 L384 V386 I539T383-Q541 WeakPolarHBondContact CA-O 3.3Å; L384-Q541 PolarHBondContact N-O 3.04Å; L384-Q541 PolarHBondContact O-N 2.84Å; V386-Q541 HydrophobicContact CB-CG 4.45Å; V386-Q541 HydrophobicContact CG2-CB 4.13Å; V386-Q541 HydrophobicContact CG2-CG 4.03Å; I539-Q541 HydrophobicContact CB-CG 4.39Å; I539-Q541 HydrophobicContact CG2-CG 3.74Å; I539-Q541 PolarHBondContact O-N 3.45Å
542N93.5Very high91.5Very high125 Ų12559.3 Ų59.367%0.66830%0.295SS*.EExtended strand (participates in β ladder)trans-100.1115.6171.1-65.3-40.9000108I382 T383I382-N542 WeakPolarHBondContact O-CA 3.48Å; T383-N542 WeakPolarHBondContact CB-OD1 3.46Å; T383-N542 VanDerWaalsContact CG2-OD1 3.26Å; T383-N542 WeakPolarHBondContact CG2-OD1 3.49Å; T383-N542 PolarHBondContact OG1-OD1 3.27Å
543L91.9Very high92.5Very high19 Ų1955.7 Ų55.710%0.09928%0.278CS..EExtended strand (participates in β ladder)trans-110.2137.9-179.3-61171.5000109.9L343 K381 I382 L384L343-L543 HydrophobicContact CD2-CD1 3.41Å; L343-L543 VanDerWaalsContact CD2-CD1 3.41Å; K381-L543 WeakPolarHBondContact CA-O 3.18Å; I382-L543 HydrophobicContact CD1-CB 4.44Å; I382-L543 HydrophobicContact CG1-CB 3.89Å; I382-L543 PolarHBondContact N-O 3.42Å; I382-L543 PolarHBondContact O-N 2.83Å; L384-L543 HydrophobicContact CD1-CD1 4.22Å
544E92.4Very high93.1Very high100 Ų10055.1 Ų55.147%0.46727%0.274SS..EExtended strand (participates in β ladder)trans-97116.6166.6-174.9164.7-150.300108.5K381 V546K381-E544 HydrophobicContact CG-CB 4.48Å; E544-V546 HydrophobicContact CG-CG2 3.98Å; E544-V546 PolarHBondContact O-N 3.41Å
545V94.2Very high93.4Very high6 Ų653.1 Ų53.14%0.03626%0.261CS..  trans-85.499-177.7-173.70000108.9F342 C346 L368 R380 I382 L549F342-V545 HydrophobicContact CE2-CG1 4.35Å; F342-V545 HydrophobicContact CZ-CG1 4.46Å; F342-V545 HydrophobicContact CZ-CG2 4.05Å; C346-V545 HydrophobicContact CB-CG1 4.45Å; L368-V545 HydrophobicContact CD2-CG1 4.47Å; L368-V545 HydrophobicContact CD2-CG2 4.27Å; R380-V545 HydrophobicContact CB-CB 4.07Å; R380-V545 PolarHBondContact O-N 2.89Å; I382-V545 HydrophobicContact CD1-CG2 3.64Å; I382-V545 HydrophobicContact CG1-CG2 3.91Å; I382-V545 HydrophobicContact CG2-CG2 4.39Å; V545-L549 HydrophobicContact CG1-CD1 4.06Å; V545-L549 HydrophobicContact CG1-CD2 4.19Å; V545-L549 HydrophobicContact CG1-CG 4.31Å
546V93.6Very high93.6Very high67 Ų6750.1 Ų50.141%0.40625%0.249SC..  trans-100.1-28.6-177.7-167.90000111.8C346 P349 E544C346-V546 PolarHBondContact O-N 2.81Å; P349-V546 HydrophobicContact CB-CG1 3.75Å; P349-V546 HydrophobicContact CG-CG1 4.28Å; E544-V546 HydrophobicContact CG-CG2 3.98Å; E544-V546 PolarHBondContact O-N 3.41Å
547C95.2Very high93.8Very high0 Ų049 Ų490%024%0.24CC..SBendtrans-57.3157.1177.273.60000112.4C346 N351C346-C547 PolarHBondContact O-N 2.8Å; N351-C547 HydrophobicContact CB-CB 4.2Å; N351-C547 WeakPolarHBondContact O-CB 3.45Å
548R95.4Very high94Very high96 Ų9646.6 Ų46.636%0.36223%0.227SC..EExtended strand (participates in β ladder)trans-72.7134.6174179.7179.9-79.2-178.4-0.7109.9N222 Q225 N351 S352 V353N222-R548 PolarHBondContact OD1-NH1 2.71Å; Q225-R548 VanDerWaalsContact CD-NH1 3.26Å; N351-R548 PolarHBondContact O-N 2.88Å; S352-R548 CarbonylContact C-O 3.5Å; S352-R548 VanDerWaalsContact CA-O 3.27Å; S352-R548 WeakPolarHBondContact CA-O 3.48Å; V353-R548 PolarHBondContact N-O 2.99Å
549L95.7Very high94.1Very high8 Ų839.4 Ų39.44%0.04220%0.201CC..EExtended strand (participates in β ladder)trans-112.9133.5173.3-54.3178.2000108.7V353 L368 M371 A372 V545V353-L549 HydrophobicContact CB-CD2 3.87Å; V353-L549 HydrophobicContact CG2-CD2 4.21Å; V353-L549 WeakPolarHBondContact O-CA 3.34Å; L368-L549 HydrophobicContact CB-CD1 4.24Å; L368-L549 HydrophobicContact CD2-CD1 4.14Å; L368-L549 WeakPolarHBondContact O-CD1 3.36Å; M371-L549 HydrophobicContact CB-CD1 4.16Å; A372-L549 HydrophobicContact CB-CB 3.73Å; V545-L549 HydrophobicContact CG1-CD1 4.06Å; V545-L549 HydrophobicContact CG1-CD2 4.19Å; V545-L549 HydrophobicContact CG1-CG 4.31Å
550E95.6Very high94.2Very high56 Ų5637.6 Ų37.626%0.26219%0.193SC..EExtended strand (participates in β ladder)trans-139.5140.6177.1-166.684.4168.600110N222 V353 I354 F355 I552N222-E550 WeakPolarHBondContact ND2-CG 3.46Å; N222-E550 PolarHBondContact ND2-OE1 3.47Å; V353-E550 PolarHBondContact O-N 3.09Å; I354-E550 CarbonylContact C-O 3.59Å; I354-E550 WeakPolarHBondContact CA-O 3.34Å; F355-E550 PolarHBondContact N-O 3.41Å; E550-I552 HydrophobicContact CG-CD1 4.27Å; E550-I552 HydrophobicContact CG-CG1 3.85Å
551L95.6Very high94.1Very high63 Ų6337.9 Ų37.933%0.3319%0.187SC..EExtended strand (participates in β ladder)trans-105.7122.9166.917466.8000108.9F355 R358 I369F355-L551 HydrophobicContact CB-CD1 3.78Å; R358-L551 HydrophobicContact CG-CD2 4.39Å; I369-L551 HydrophobicContact CD1-CD1 4.36Å; I369-L551 HydrophobicContact CG2-CB 4.49Å; I369-L551 HydrophobicContact CG2-CD2 3.87Å
552I95.7Very high94.1Very high4 Ų435.6 Ų35.62%0.02118%0.178CC..  trans-124.4117.5174-52.4179.2000108R215 L218 L219 I354 F355 T356 E550 F554R215-I552 HydrophobicContact CG-CG2 3.55Å; L218-I552 HydrophobicContact CD2-CD1 4.3Å; L218-I552 HydrophobicContact CD2-CG1 4.06Å; L218-I552 HydrophobicContact CD2-CG2 4.49Å; L218-I552 HydrophobicContact CG-CD1 3.99Å; L218-I552 HydrophobicContact CG-CG1 4.31Å; L219-I552 HydrophobicContact CB-CD1 3.98Å; L219-I552 HydrophobicContact CD1-CD1 4.02Å; I354-I552 HydrophobicContact CG2-CB 4.34Å; I354-I552 HydrophobicContact CG2-CD1 3.78Å; I354-I552 HydrophobicContact CG2-CG1 3.97Å; F355-I552 PolarHBondContact O-N 2.9Å; T356-I552 CarbonylContact C-O 3.6Å; T356-I552 VanDerWaalsContact CA-O 3.25Å; T356-I552 WeakPolarHBondContact CA-O 3.35Å; E550-I552 HydrophobicContact CG-CD1 4.27Å; E550-I552 HydrophobicContact CG-CG1 3.85Å; I552-F554 HydrophobicContact CB-CD2 4.32Å; I552-F554 HydrophobicContact CB-CE2 4.24Å; I552-F554 HydrophobicContact CG2-CD2 3.85Å; I552-F554 HydrophobicContact CG2-CE2 3.49Å; I552-F554 VanDerWaalsContact CG2-CE2 3.49Å; I552-F554 PolarHBondContact O-N 2.87Å
553D94.1Very high94.2Very high24 Ų2429.7 Ų29.713%0.12815%0.147CC..  trans-70.1104.5-174.5170.533.3000113.2F207 Q209 R215 E555F207-D553 HydrophobicContact CE1-CB 4.44Å; F207-D553 VanDerWaalsContact CE1-OD2 3.24Å; F207-D553 WeakPolarHBondContact CE1-OD2 3.33Å; F207-D553 HydrophobicContact CZ-CB 4.05Å; Q209-D553 WeakPolarHBondContact CG-OD2 3.28Å; R215-D553 WeakPolarHBondContact CD-O 3.33Å; D553-E555 WeakPolarHBondContact OD1-CB 3.38Å; D553-E555 PolarHBondContact OD1-N 2.77Å
554F95.4Very high94.3Very high1 Ų131.9 Ų31.90%0.00416%0.155CC..  trans-118.620.7167.9-77.9-92.9000111.6R215 L219 R242 L246 L249 T356 I552 G556R215-F554 HydrophobicContact CG-CD2 4.28Å; R215-F554 HydrophobicContact CG-CE1 4.45Å; R215-F554 HydrophobicContact CG-CE2 3.73Å; R215-F554 HydrophobicContact CG-CZ 3.81Å; R215-F554 VanDerWaalsContact NE-CE1 3.26Å; R215-F554 VanDerWaalsContact NH2-CE1 3.35Å; L219-F554 HydrophobicContact CB-CE2 4.31Å; L219-F554 HydrophobicContact CB-CZ 4.4Å; L219-F554 HydrophobicContact CD2-CE2 3.88Å; L219-F554 HydrophobicContact CD2-CZ 3.67Å; R242-F554 PolarHBondContact NE-O 2.88Å; R242-F554 PolarHBondContact NH2-O 3.07Å; L246-F554 HydrophobicContact CD1-CB 4.49Å; L246-F554 HydrophobicContact CD2-CD1 3.65Å; L246-F554 HydrophobicContact CD2-CD2 4.05Å; L246-F554 HydrophobicContact CD2-CE1 3.63Å; L246-F554 HydrophobicContact CD2-CE2 4.04Å; L246-F554 HydrophobicContact CD2-CG 3.87Å; L246-F554 HydrophobicContact CD2-CZ 3.84Å; L246-F554 HydrophobicContact CG-CD1 4.21Å; L246-F554 HydrophobicContact CG-CG 4.44Å; L249-F554 HydrophobicContact CD2-CE1 4.06Å; L249-F554 HydrophobicContact CD2-CZ 4.1Å; T356-F554 CarbonylContact O-C 3.46Å; T356-F554 WeakPolarHBondContact O-CA 3.39Å; T356-F554 PolarHBondContact O-N 3.27Å; I552-F554 HydrophobicContact CB-CD2 4.32Å; I552-F554 HydrophobicContact CB-CE2 4.24Å; I552-F554 HydrophobicContact CG2-CD2 3.85Å; I552-F554 HydrophobicContact CG2-CE2 3.49Å; I552-F554 VanDerWaalsContact CG2-CE2 3.49Å; I552-F554 PolarHBondContact O-N 2.87Å; F554-G556 PolarHBondContact O-N 3.46Å
555E92.6Very high94.4Very high10 Ų1032.7 Ų32.75%0.04716%0.157CC..  trans-58.2-38.6177.1-67.4176.8-177.100110.5H153 R242 T356 S357 R358 D553H153-E555 PolarHBondContact CE1-O 2.67Å; H153-E555 PolarHBondContact ND1-O 3.33Å; R242-E555 WeakPolarHBondContact CD-O 3.22Å; R242-E555 PolarHBondContact NE-O 2.77Å; T356-E555 PolarHBondContact O-N 3.43Å; S357-E555 WeakPolarHBondContact OG-CG 3.48Å; R358-E555 VanDerWaalsContact CB-OE1 3.26Å; R358-E555 WeakPolarHBondContact CB-OE1 3.27Å; R358-E555 WeakPolarHBondContact CG-OE1 3.48Å; R358-E555 IonicContact CZ-OE1 3.56Å; R358-E555 IonicContact CZ-OE2 3.74Å; R358-E555 PolarHBondContact N-OE1 2.74Å; R358-E555 IonicContact NE-OE1 3.03Å; R358-E555 PolarHBondContact NE-OE1 2.87Å; R358-E555 IonicContact NE-OE2 3.93Å; R358-E555 IonicContact NH2-OE1 3.61Å; R358-E555 IonicContact NH2-OE2 2.68Å; R358-E555 PolarHBondContact NH2-OE2 2.71Å; D553-E555 WeakPolarHBondContact OD1-CB 3.38Å; D553-E555 PolarHBondContact OD1-N 2.77Å
556G92.9Very high94.3Very high3 Ų333.3 Ų33.33%0.03116%0.16CC..  trans63.448.4175.300000111.9H153 N177 F554H153-G556 PolarHBondContact ND1-O 3.16Å; N177-G556 WeakPolarHBondContact CB-O 3.33Å; N177-G556 PolarHBondContact ND2-O 2.85Å; F554-G556 PolarHBondContact O-N 3.46Å
557R94.5Very high94.4Very high13 Ų1330.2 Ų30.25%0.04914%0.141CC..  trans-106.9175.7166.3-66.8-179.6-174.5177.67.3108.9D175 F176 N204 Q209 H579D175-R557 HydrophobicContact CB-CG 4.37Å; D175-R557 VanDerWaalsContact CG-NH1 3.33Å; D175-R557 WeakPolarHBondContact OD1-CD 3.24Å; D175-R557 IonicContact OD1-CZ 3.57Å; D175-R557 IonicContact OD1-NE 2.65Å; D175-R557 PolarHBondContact OD1-NE 2.93Å; D175-R557 IonicContact OD1-NH1 2.75Å; D175-R557 PolarHBondContact OD1-NH1 2.81Å; D175-R557 IonicContact OD1-NH2 3.86Å; D175-R557 IonicContact OD2-CZ 3.13Å; D175-R557 VanDerWaalsContact OD2-CZ 3.25Å; D175-R557 IonicContact OD2-NE 3.53Å; D175-R557 IonicContact OD2-NH1 3.37Å; D175-R557 PolarHBondContact OD2-NH1 2.84Å; D175-R557 IonicContact OD2-NH2 3.95Å; D175-R557 PolarHBondContact OD2-NH2 3.07Å; F176-R557 CarbonylContact O-C 3.57Å; N204-R557 WeakPolarHBondContact ND2-CB 3.22Å; Q209-R557 PolarHBondContact NE2-O 3.28Å; R557-H579 PolarHBondContact NH1-CE1 3.28Å
558S94.6Very high94.3Very high3 Ų335.1 Ų35.12%0.02116%0.164CC..  trans-79.5147.3176.3-62.20000111.5F176 H178 N204F176-S558 WeakPolarHBondContact CD2-OG 3.38Å; F176-S558 WeakPolarHBondContact CE2-OG 3.3Å; F176-S558 PolarHBondContact O-N 3.05Å; F176-S558 PolarHBondContact O-OG 3.26Å; H178-S558 PolarHBondContact N-OG 3.44Å; H178-S558 PolarHBondContact ND1-OG 2.57Å; N204-S558 WeakPolarHBondContact CB-O 3.01Å; N204-S558 PolarHBondContact ND2-O 3.41Å
559D93.8Very high94.1Very high14 Ų1436.9 Ų36.98%0.07517%0.174CC..  trans-91.7169.5176.351.5-12.8000112.5H178 K179 Q209 E561 S562 I563H178-D559 IonicContact CE1-OD1 3.8Å; K179-D559 VanDerWaalsContact NZ-CG 3.3Å; K179-D559 IonicContact NZ-OD1 2.87Å; K179-D559 PolarHBondContact NZ-OD1 2.72Å; K179-D559 IonicContact NZ-OD2 2.57Å; K179-D559 PolarHBondContact NZ-OD2 2.9Å; Q209-D559 HydrophobicContact CB-CB 4.23Å; Q209-D559 HydrophobicContact CG-CB 3.97Å; D559-E561 VanDerWaalsContact C-N 3.33Å; D559-E561 PolarHBondContact O-N 3.33Å; D559-S562 PolarHBondContact O-N 3.45Å; D559-S562 VanDerWaalsContact OD1-CB 3.26Å; D559-S562 WeakPolarHBondContact OD1-CB 3.36Å; D559-S562 PolarHBondContact OD1-OG 2.87Å; D559-S562 VanDerWaalsContact OD1-OG 3.1Å; D559-I563 WeakPolarHBondContact O-CG1 3.08Å; D559-I563 PolarHBondContact O-N 3.06Å
560S93.9Very high93.9Very high13 Ų1336.5 Ų36.59%0.09117%0.173CC..Hα-helixtrans-46.4-48.8-177.172.20000114.5N204 M205 F207 N208 S562 K564N204-S560 PolarHBondContact O-N 3.31Å; M205-S560 WeakPolarHBondContact O-CB 3.11Å; F207-S560 PolarHBondContact O-N 3.21Å; N208-S560 PolarHBondContact OD1-OG 3.1Å; S560-S562 VanDerWaalsContact C-N 3.33Å; S560-S562 PolarHBondContact O-N 3.31Å; S560-K564 WeakPolarHBondContact O-CD 2.93Å; S560-K564 VanDerWaalsContact O-CG 3.23Å; S560-K564 WeakPolarHBondContact O-CG 3.29Å; S560-K564 PolarHBondContact O-N 3.37Å
561E93Very high93.8Very high110 Ų11039.1 Ų39.151%0.51418%0.183SC..Hα-helixtrans-66.6-37.4-176.9-169.3-174.3160.800111.4D559 K565D559-E561 VanDerWaalsContact C-N 3.33Å; D559-E561 PolarHBondContact O-N 3.33Å; E561-K565 WeakPolarHBondContact O-CG 3.46Å; E561-K565 PolarHBondContact O-N 3.04Å; E561-K565 VanDerWaalsContact O-N 3.08Å; E561-K565 VanDerWaalsContact OE1-CE 3.26Å; E561-K565 WeakPolarHBondContact OE1-CE 3.35Å; E561-K565 IonicContact OE1-NZ 2.72Å; E561-K565 PolarHBondContact OE1-NZ 2.9Å
562S93.2Very high93.8Very high12 Ų1236.3 Ų36.38%0.08417%0.169CC..Hα-helixtrans-81.4-37.3-176.4-700000113.3H178 D559 S560 K564 K565 I566H178-S562 WeakPolarHBondContact CE1-CB 3.5Å; H178-S562 PolarHBondContact CE1-OG 3.16Å; H178-S562 WeakPolarHBondContact ND1-CB 3.48Å; H178-S562 WeakPolarHBondContact NE2-CB 3.39Å; H178-S562 PolarHBondContact NE2-OG 3.42Å; D559-S562 PolarHBondContact O-N 3.45Å; D559-S562 VanDerWaalsContact OD1-CB 3.26Å; D559-S562 WeakPolarHBondContact OD1-CB 3.36Å; D559-S562 PolarHBondContact OD1-OG 2.87Å; D559-S562 VanDerWaalsContact OD1-OG 3.1Å; S560-S562 VanDerWaalsContact C-N 3.33Å; S560-S562 PolarHBondContact O-N 3.31Å; S562-K564 PolarHBondContact O-N 2.97Å; S562-K565 PolarHBondContact O-N 2.91Å; S562-K565 VanDerWaalsContact O-N 3.16Å; S562-I566 WeakPolarHBondContact O-CB 3.34Å; S562-I566 WeakPolarHBondContact O-CD1 3.39Å; S562-I566 VanDerWaalsContact O-CG1 3.27Å; S562-I566 WeakPolarHBondContact O-CG1 3.07Å; S562-I566 PolarHBondContact O-N 3.32Å
563I94.9Very high93.7Very high2 Ų240.3 Ų40.31%0.0119%0.186CC..Hα-helixtrans-55.1-47.3169.9-66.1169000109.1F176 N204 M205 D559 K565 I566 L567 L588F176-I563 HydrophobicContact CZ-CG1 4.42Å; N204-I563 HydrophobicContact CB-CD1 4.37Å; M205-I563 HydrophobicContact SD-CB 4.43Å; M205-I563 HydrophobicContact SD-CG2 4.36Å; D559-I563 WeakPolarHBondContact O-CG1 3.08Å; D559-I563 PolarHBondContact O-N 3.06Å; I563-K565 PolarHBondContact O-N 2.95Å; I563-I566 PolarHBondContact O-N 3.38Å; I563-L567 HydrophobicContact CG2-CD1 3.97Å; I563-L567 HydrophobicContact CG2-CG 4.44Å; I563-L567 WeakPolarHBondContact O-CB 3.44Å; I563-L567 WeakPolarHBondContact O-CG 3.34Å; I563-L567 PolarHBondContact O-N 3.49Å; I563-L588 HydrophobicContact CG2-CD1 4Å; I563-L588 HydrophobicContact CG2-CD2 4.48Å
564K94.9Very high93.8Very high65 Ų6539.2 Ų39.228%0.28318%0.18SC..Hα-helixtrans-56.8-47.3175.4-73173.1174.4160.70112.6S560 S562 I566 L567 H568 Y591S560-K564 WeakPolarHBondContact O-CD 2.93Å; S560-K564 VanDerWaalsContact O-CG 3.23Å; S560-K564 WeakPolarHBondContact O-CG 3.29Å; S560-K564 PolarHBondContact O-N 3.37Å; S562-K564 PolarHBondContact O-N 2.97Å; K564-I566 PolarHBondContact O-N 3.05Å; K564-L567 PolarHBondContact O-N 2.77Å; K564-H568 WeakPolarHBondContact O-CB 3.48Å; K564-H568 PolarHBondContact O-N 3.09Å; K564-Y591 HydrophobicContact CB-CD1 4.42Å; K564-Y591 HydrophobicContact CB-CD2 4.43Å; K564-Y591 HydrophobicContact CB-CE1 3.83Å; K564-Y591 HydrophobicContact CB-CE2 3.82Å; K564-Y591 VanDerWaalsContact CB-CZ 3.49Å; K564-Y591 HydrophobicContact CD-CD2 3.8Å; K564-Y591 HydrophobicContact CD-CE2 3.83Å; K564-Y591 HydrophobicContact CD-CG 4.28Å; K564-Y591 HydrophobicContact CG-CD1 3.84Å; K564-Y591 HydrophobicContact CG-CD2 3.72Å; K564-Y591 HydrophobicContact CG-CE1 3.76Å; K564-Y591 HydrophobicContact CG-CE2 3.61Å; K564-Y591 HydrophobicContact CG-CG 3.82Å; K564-Y591 PolarHBondContact O-OH 3.2Å
565K93Very high93.9Very high116 Ų11639.2 Ų39.250%0.50418%0.18SC..Hα-helixtrans-62.4-41.9177.8-75.3172.5-175166.90112.8E561 S562 I563 H568 F569E561-K565 WeakPolarHBondContact O-CG 3.46Å; E561-K565 PolarHBondContact O-N 3.04Å; E561-K565 VanDerWaalsContact O-N 3.08Å; E561-K565 VanDerWaalsContact OE1-CE 3.26Å; E561-K565 WeakPolarHBondContact OE1-CE 3.35Å; E561-K565 IonicContact OE1-NZ 2.72Å; E561-K565 PolarHBondContact OE1-NZ 2.9Å; S562-K565 PolarHBondContact O-N 2.91Å; S562-K565 VanDerWaalsContact O-N 3.16Å; I563-K565 PolarHBondContact O-N 2.95Å; K565-H568 PolarHBondContact O-N 3.49Å; K565-F569 PolarHBondContact O-N 3.43Å
566I93.4Very high94.1Very high19 Ų1938.7 Ų38.710%0.09718%0.178CC..Hα-helixtrans-66.6-42.7-179.9-69.9162.2000110.6F176 H178 F189 S562 I563 K564 H568 F569 S570F176-I566 HydrophobicContact CD2-CD1 4.34Å; F176-I566 HydrophobicContact CE2-CD1 3.55Å; F176-I566 HydrophobicContact CZ-CD1 4.39Å; H178-I566 HydrophobicContact CB-CD1 3.74Å; F189-I566 HydrophobicContact CB-CG2 4.25Å; F189-I566 HydrophobicContact CD1-CG2 3.51Å; F189-I566 HydrophobicContact CD2-CG2 3.82Å; F189-I566 HydrophobicContact CE1-CG2 3.65Å; F189-I566 HydrophobicContact CE2-CG2 3.94Å; F189-I566 HydrophobicContact CG-CG2 3.59Å; F189-I566 HydrophobicContact CZ-CG2 3.85Å; S562-I566 WeakPolarHBondContact O-CB 3.34Å; S562-I566 WeakPolarHBondContact O-CD1 3.39Å; S562-I566 VanDerWaalsContact O-CG1 3.27Å; S562-I566 WeakPolarHBondContact O-CG1 3.07Å; S562-I566 PolarHBondContact O-N 3.32Å; I563-I566 PolarHBondContact O-N 3.38Å; K564-I566 PolarHBondContact O-N 3.05Å; I566-H568 VanDerWaalsContact C-N 3.33Å; I566-H568 PolarHBondContact O-N 2.83Å; I566-F569 PolarHBondContact O-N 2.74Å; I566-S570 WeakPolarHBondContact O-CB 3.25Å; I566-S570 PolarHBondContact O-N 2.88Å; I566-S570 PolarHBondContact O-OG 3.32Å
567L94.2Very high94.4Very high3 Ų338.7 Ų38.72%0.01618%0.177CC..Hα-helixtrans-63.3-39.3173.6-70.6175.2000112.2L198 I563 K564 F569 S570 K571 P572 L588 Y591 L596L198-L567 HydrophobicContact CD2-CD2 3.36Å; I563-L567 HydrophobicContact CG2-CD1 3.97Å; I563-L567 HydrophobicContact CG2-CG 4.44Å; I563-L567 WeakPolarHBondContact O-CB 3.44Å; I563-L567 WeakPolarHBondContact O-CG 3.34Å; I563-L567 PolarHBondContact O-N 3.49Å; K564-L567 PolarHBondContact O-N 2.77Å; L567-F569 VanDerWaalsContact C-N 3.32Å; L567-F569 PolarHBondContact O-N 3.24Å; L567-S570 WeakPolarHBondContact CA-OG 3.46Å; L567-S570 PolarHBondContact O-OG 3.31Å; L567-K571 PolarHBondContact O-N 2.72Å; L567-P572 HydrophobicContact CD2-CG 4.39Å; L567-L588 HydrophobicContact CD1-CD1 3.59Å; L567-L588 HydrophobicContact CD1-CG 4.48Å; L567-Y591 HydrophobicContact CB-CE1 4.27Å; L567-Y591 HydrophobicContact CD1-CD1 4.36Å; L567-Y591 HydrophobicContact CD1-CE1 4.41Å; L567-L596 HydrophobicContact CB-CD1 3.87Å; L567-L596 HydrophobicContact CB-CD2 4.47Å
568H93Very high94.5Very high103 Ų10338.1 Ų38.148%0.47718%0.175SC..Hα-helixtrans-64.8-35.7175.8-171.979.3000113.1K564 K565 I566 K571 L596K564-H568 WeakPolarHBondContact O-CB 3.48Å; K564-H568 PolarHBondContact O-N 3.09Å; K565-H568 PolarHBondContact O-N 3.49Å; I566-H568 VanDerWaalsContact C-N 3.33Å; I566-H568 PolarHBondContact O-N 2.83Å; H568-K571 WeakPolarHBondContact O-CE 3.26Å; H568-K571 WeakPolarHBondContact O-CG 3.46Å; H568-L596 HydrophobicContact CB-CD2 4.21Å
569F92Very high94.6Very high132 Ų13238 Ų3858%0.57917%0.174SC*.Hα-helixtrans-75.1-49.6177.4-179.3-96.5000112.1K565 I566 L567 K571K565-F569 PolarHBondContact O-N 3.43Å; I566-F569 PolarHBondContact O-N 2.74Å; L567-F569 VanDerWaalsContact C-N 3.32Å; L567-F569 PolarHBondContact O-N 3.24Å; F569-K571 PolarHBondContact O-N 3.43Å
570S92.5Very high94.5Very high1 Ų137.3 Ų37.31%0.00717%0.171CC..Hα-helixtrans-68.8-29.8-176.955.90000113.3R194 I566 L567R194-S570 WeakPolarHBondContact CA-O 3.38Å; R194-S570 PolarHBondContact N-O 3.29Å; I566-S570 WeakPolarHBondContact O-CB 3.25Å; I566-S570 PolarHBondContact O-N 2.88Å; I566-S570 PolarHBondContact O-OG 3.32Å; L567-S570 WeakPolarHBondContact CA-OG 3.46Å; L567-S570 PolarHBondContact O-OG 3.31Å
571K92.8Very high94.6Very high110 Ų11038.4 Ų38.448%0.47818%0.175SC..  trans47.458.5179-61.7-175.1179.7179.30112.9R194 L567 H568 F569R194-K571 HydrophobicContact CG-CB 4.14Å; L567-K571 PolarHBondContact O-N 2.72Å; H568-K571 WeakPolarHBondContact O-CE 3.26Å; H568-K571 WeakPolarHBondContact O-CG 3.46Å; F569-K571 PolarHBondContact O-N 3.43Å
572P95Very high94.7Very high5 Ų536.8 Ų36.83%0.03218%0.175CC..  trans-60.8146.6179.629.1-37000111.1P195 L198 L567 V575 L598P195-P572 HydrophobicContact CG-CB 3.97Å; L198-P572 HydrophobicContact CB-CB 3.7Å; L198-P572 HydrophobicContact CB-CG 4.32Å; L198-P572 HydrophobicContact CD2-CB 4.21Å; L198-P572 HydrophobicContact CD2-CG 4.05Å; L567-P572 HydrophobicContact CD2-CG 4.39Å; P572-V575 HydrophobicContact CB-CG2 3.9Å; P572-V575 HydrophobicContact CG-CG2 3.38Å; P572-L598 WeakPolarHBondContact O-CD2 3.38Å
573K94.1Very high94.9Very high87 Ų8743.7 Ų43.738%0.37821%0.205SC..SBendtrans-75.6-33.3175.7-65.4-174.3-178.9-179.60112.6E168 P195 I616E168-K573 WeakPolarHBondContact OE1-CE 3.48Å; E168-K573 IonicContact OE1-NZ 3.42Å; E168-K573 PolarHBondContact OE1-NZ 2.65Å; E168-K573 WeakPolarHBondContact OE2-CE 3.42Å; E168-K573 IonicContact OE2-NZ 3.73Å; E168-K573 PolarHBondContact OE2-NZ 3.01Å; P195-K573 PolarHBondContact O-N 3.36Å; K573-I616 HydrophobicContact CD-CD1 4.41Å
574Q95.5Very high94.9Very high2 Ų243.6 Ų43.61%0.00921%0.205CC..SBendtrans-140.1150.9175.4-52.2-168.4-2.300109.6S196 L197 L198 K602 F604 A614 I616S196-Q574 PolarHBondContact O-N 3.41Å; L197-Q574 HydrophobicContact CD1-CB 4.1Å; L198-Q574 PolarHBondContact N-O 2.68Å; Q574-K602 WeakPolarHBondContact CA-O 3.42Å; Q574-K602 HydrophobicContact CB-CB 4.48Å; Q574-K602 HydrophobicContact CG-CB 4.16Å; Q574-K602 HydrophobicContact CG-CD 3.89Å; Q574-K602 HydrophobicContact CG-CG 4.33Å; Q574-F604 HydrophobicContact CB-CE2 4.37Å; Q574-A614 PolarHBondContact NE2-O 3.03Å; Q574-A614 PolarHBondContact OE1-O 3.17Å; Q574-I616 HydrophobicContact CG-CG1 4.46Å; Q574-I616 VanDerWaalsContact NE2-CG1 3.29Å
575V97.4Very high95Very high0 Ų040.7 Ų40.70%019%0.193CC..EExtended strand (participates in β ladder)trans-133130.5178.8-175.90000109.8L198 T200 P572 I577 L598 K602 F604L198-V575 CarbonylContact O-C 3.55Å; L198-V575 VanDerWaalsContact O-CA 3.27Å; L198-V575 WeakPolarHBondContact O-CA 3.42Å; T200-V575 HydrophobicContact CG2-CG1 3.95Å; P572-V575 HydrophobicContact CB-CG2 3.9Å; P572-V575 HydrophobicContact CG-CG2 3.38Å; V575-I577 HydrophobicContact CG1-CG1 3.9Å; V575-L598 HydrophobicContact CG2-CD1 3.74Å; V575-K602 PolarHBondContact N-O 3.45Å; V575-F604 WeakPolarHBondContact O-CD2 3.48Å; V575-F604 PolarHBondContact O-N 3.12Å
576I98.1Very high95.2Very high0 Ų039 Ų390%019%0.187CC..EExtended strand (participates in β ladder)trans-106.6124.5163.6-62.9165.2000107.8L7 L197 L198 I199 T200 V578 F604 P606 V612 A614L7-I576 HydrophobicContact CB-CD1 3.89Å; L7-I576 HydrophobicContact CD2-CB 4.45Å; L7-I576 HydrophobicContact CD2-CD1 3.91Å; L7-I576 HydrophobicContact CD2-CG2 3.67Å; L197-I576 HydrophobicContact CD1-CB 4.46Å; L197-I576 HydrophobicContact CD1-CD1 3.75Å; L197-I576 HydrophobicContact CD1-CG1 3.75Å; L197-I576 HydrophobicContact CD2-CD1 3.93Å; L197-I576 HydrophobicContact CG-CD1 4.39Å; L198-I576 PolarHBondContact O-N 2.98Å; I199-I576 WeakPolarHBondContact CA-O 3.09Å; I199-I576 HydrophobicContact CG1-CB 4.29Å; I199-I576 HydrophobicContact CG1-CD1 4.31Å; T200-I576 PolarHBondContact N-O 3.18Å; I576-V578 HydrophobicContact CG2-CG1 4.02Å; I576-F604 HydrophobicContact CB-CB 4.43Å; I576-F604 HydrophobicContact CG1-CB 3.86Å; I576-F604 HydrophobicContact CG1-CD2 3.77Å; I576-F604 HydrophobicContact CG1-CG 4.16Å; I576-F604 HydrophobicContact CG2-CB 4.5Å; I576-P606 HydrophobicContact CG2-CG 3.89Å; I576-V612 HydrophobicContact CD1-CG1 4.24Å; I576-V612 HydrophobicContact CG1-CG1 4.35Å; I576-A614 HydrophobicContact CD1-CB 4.2Å
577I98.1Very high95.3Very high2 Ų242.4 Ų42.41%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-100.3121-179-60.5165000108.8T200 A202 V575 T585 L588 A589 V603 F604 T605 P606T200-I577 WeakPolarHBondContact O-CA 3.49Å; A202-I577 HydrophobicContact CB-CG2 3.63Å; V575-I577 HydrophobicContact CG1-CG1 3.9Å; I577-T585 HydrophobicContact CB-CG2 4.4Å; I577-T585 HydrophobicContact CG2-CG2 3.89Å; I577-L588 HydrophobicContact CD1-CB 3.95Å; I577-L588 HydrophobicContact CD1-CD2 4.26Å; I577-L588 HydrophobicContact CD1-CG 3.86Å; I577-L588 HydrophobicContact CG1-CD2 4.06Å; I577-L588 HydrophobicContact CG1-CG 4.2Å; I577-L588 HydrophobicContact CG2-CB 4.39Å; I577-L588 HydrophobicContact CG2-CD2 3.92Å; I577-A589 VanDerWaalsContact CD1-CA 3.44Å; I577-A589 HydrophobicContact CD1-CB 3.72Å; I577-V603 HydrophobicContact CD1-CG1 4.08Å; I577-F604 PolarHBondContact N-O 2.94Å; I577-T605 HydrophobicContact CB-CG2 4.49Å; I577-T605 HydrophobicContact CD1-CG2 4.3Å; I577-P606 WeakPolarHBondContact O-CD 3.37Å
578V97.5Very high95.5Very high1 Ų142.2 Ų42.21%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-122.6-176178.8-60.20000110.5L7 V13 Y21 V174 I199 T200 D201 A202 I576 P606L7-V578 HydrophobicContact CD2-CG1 4.44Å; V13-V578 HydrophobicContact CG1-CB 4.19Å; V13-V578 HydrophobicContact CG1-CG1 4.05Å; Y21-V578 HydrophobicContact CD1-CG1 4.39Å; Y21-V578 HydrophobicContact CE1-CB 3.91Å; Y21-V578 HydrophobicContact CE1-CG1 3.92Å; Y21-V578 HydrophobicContact CE1-CG2 4.4Å; Y21-V578 HydrophobicContact CE2-CG2 4.15Å; V174-V578 HydrophobicContact CG1-CG2 3.89Å; I199-V578 HydrophobicContact CG2-CG1 4.16Å; I199-V578 HydrophobicContact CG2-CG2 4.09Å; T200-V578 PolarHBondContact O-N 3.16Å; D201-V578 CarbonylContact C-O 3.55Å; D201-V578 VanDerWaalsContact CA-O 3.24Å; D201-V578 WeakPolarHBondContact CA-O 3.35Å; A202-V578 PolarHBondContact N-O 3.47Å; I576-V578 HydrophobicContact CG2-CG1 4.02Å; V578-P606 HydrophobicContact CG1-CG 4.5Å
579H95.9Very high95.7Very high0 Ų037.3 Ų37.30%018%0.18CC..SBendtrans39.779.5171.1-166.1-167.8000113.7G12 L19 D175 D201 A202 F203 R557G12-H579 WeakPolarHBondContact O-CA 3.1Å; G12-H579 PolarHBondContact O-N 2.8Å; L19-H579 WeakPolarHBondContact CD1-CE1 3.33Å; L19-H579 WeakPolarHBondContact CD1-ND1 3.16Å; L19-H579 HydrophobicContact CD2-CB 4.33Å; L19-H579 HydrophobicContact CG-CB 4.37Å; D175-H579 IonicContact OD1-CE1 3.43Å; D175-H579 IonicContact OD1-ND1 3.32Å; D175-H579 PolarHBondContact OD1-ND1 2.64Å; D175-H579 IonicContact OD2-CE1 3.58Å; D175-H579 PolarHBondContact OD2-CE1 2.85Å; D175-H579 IonicContact OD2-ND1 3.94Å; D175-H579 PolarHBondContact OD2-ND1 3.01Å; D201-H579 HydrophobicContact CB-CB 3.8Å; A202-H579 CarbonylContact C-O 3.41Å; A202-H579 PolarHBondContact N-O 3.35Å; F203-H579 WeakPolarHBondContact CA-O 3.29Å; F203-H579 WeakPolarHBondContact CB-O 3.47Å; F203-H579 AromaticContact CD2-CD2 3.96Å; F203-H579 AromaticContact CD2-NE2 3.64Å; F203-H579 PolarHBondContact N-O 3.32Å; R557-H579 PolarHBondContact NH1-CE1 3.28Å
580G93.3Very high95.9Very high1 Ų133.4 Ų33.41%0.0117%0.165CC..SBendtrans176.4148.8-176.800000110.9M14 D15 T585M14-G580 CarbonylContact C-O 3.6Å; M14-G580 VanDerWaalsContact CA-O 3.24Å; M14-G580 WeakPolarHBondContact CA-O 3.15Å; M14-G580 PolarHBondContact N-O 3.05Å; D15-G580 PolarHBondContact N-O 3.31Å; D15-G580 CarbonylContact O-C 3.56Å; D15-G580 PolarHBondContact O-N 3.28Å; G580-T585 PolarHBondContact O-OG1 3Å
581N94.8Very high96.1Very high35 Ų3535 Ų3519%0.18717%0.171CC..  trans-66.1163.217471.851.6000110.9E583 S584 T585N581-E583 PolarHBondContact O-N 2.9Å; N581-E583 VanDerWaalsContact O-N 3.14Å; N581-E583 WeakPolarHBondContact OD1-CB 3.38Å; N581-E583 PolarHBondContact OD1-N 3.29Å; N581-S584 PolarHBondContact ND2-OG 2.86Å; N581-S584 PolarHBondContact O-N 2.85Å; N581-S584 PolarHBondContact OD1-N 2.98Å; N581-S584 PolarHBondContact OD1-OG 3.5Å; N581-T585 WeakPolarHBondContact O-CB 3.35Å; N581-T585 PolarHBondContact O-N 2.93Å; N581-T585 PolarHBondContact O-OG1 3.2Å; N581-T585 VanDerWaalsContact O-OG1 3.1Å
582P95.7Very high96.3Very high77 Ų7729.8 Ų29.850%0.515%0.148SC..Hα-helixtrans-58.9-32.3-173.8-25.135.8000113.9M14 E586M14-P582 HydrophobicContact CB-CG 4.37Å; M14-P582 WeakPolarHBondContact O-CD 3.45Å; M14-P582 HydrophobicContact SD-CB 4.44Å; P582-E586 WeakPolarHBondContact O-CB 3.44Å; P582-E586 PolarHBondContact O-N 2.78Å; P582-E586 VanDerWaalsContact O-N 3.09Å
583E96.2Very high96.3Very high156 Ų15632.2 Ų32.273%0.72916%0.157SC*.Hα-helixtrans-71.8-50179.6-59.4-178.5-177.900110.7N581 T585 E586 M587N581-E583 PolarHBondContact O-N 2.9Å; N581-E583 VanDerWaalsContact O-N 3.14Å; N581-E583 WeakPolarHBondContact OD1-CB 3.38Å; N581-E583 PolarHBondContact OD1-N 3.29Å; E583-T585 PolarHBondContact O-N 2.87Å; E583-E586 PolarHBondContact O-N 2.97Å; E583-M587 WeakPolarHBondContact O-CB 3.42Å; E583-M587 VanDerWaalsContact O-CG 3.28Å; E583-M587 WeakPolarHBondContact O-CG 3.46Å; E583-M587 PolarHBondContact O-N 2.67Å
584S96Very high96.4Very high1 Ų135.3 Ų35.31%0.00717%0.17CC..Hα-helixtrans-63.8-39.6178.3-62.70000112.1A202 D206 N581 M587 L588A202-S584 WeakPolarHBondContact O-CB 3.35Å; D206-S584 PolarHBondContact OD1-OG 3.25Å; N581-S584 PolarHBondContact ND2-OG 2.86Å; N581-S584 PolarHBondContact O-N 2.85Å; N581-S584 PolarHBondContact OD1-N 2.98Å; N581-S584 PolarHBondContact OD1-OG 3.5Å; S584-M587 PolarHBondContact O-N 2.7Å; S584-L588 PolarHBondContact O-N 3.46Å; S584-L588 VanDerWaalsContact O-N 3.07Å
585T96.9Very high96.3Very high4 Ų438.7 Ų38.73%0.02519%0.194CC..Hα-helixtrans-61.3-47.6173.4-64.90000111.4M14 I577 G580 N581 E583 M587 L588 A589 T605M14-T585 HydrophobicContact CE-CG2 4.38Å; M14-T585 HydrophobicContact SD-CG2 4.41Å; I577-T585 HydrophobicContact CB-CG2 4.4Å; I577-T585 HydrophobicContact CG2-CG2 3.89Å; G580-T585 PolarHBondContact O-OG1 3Å; N581-T585 WeakPolarHBondContact O-CB 3.35Å; N581-T585 PolarHBondContact O-N 2.93Å; N581-T585 PolarHBondContact O-OG1 3.2Å; N581-T585 VanDerWaalsContact O-OG1 3.1Å; E583-T585 PolarHBondContact O-N 2.87Å; T585-M587 PolarHBondContact O-N 3.16Å; T585-L588 PolarHBondContact O-N 3.38Å; T585-A589 WeakPolarHBondContact O-CB 3.19Å; T585-A589 PolarHBondContact O-N 3.19Å; T585-T605 HydrophobicContact CG2-CG2 3.63Å
586E96.8Very high96.1Very high80 Ų8040.7 Ų40.737%0.37420%0.204SC..Hα-helixtrans-68.2-35.9179.1-171.660.4-162.900111.6P582 E583 L588 A589 D590 R593P582-E586 WeakPolarHBondContact O-CB 3.44Å; P582-E586 PolarHBondContact O-N 2.78Å; P582-E586 VanDerWaalsContact O-N 3.09Å; E583-E586 PolarHBondContact O-N 2.97Å; E586-L588 VanDerWaalsContact C-N 3.33Å; E586-L588 PolarHBondContact O-N 2.96Å; E586-A589 PolarHBondContact O-N 3.47Å; E586-D590 VanDerWaalsContact O-CB 3.32Å; E586-D590 WeakPolarHBondContact O-CB 3.48Å; E586-D590 PolarHBondContact O-N 2.79Å; E586-R593 IonicContact OE1-CZ 3.44Å; E586-R593 IonicContact OE1-NH1 3.49Å; E586-R593 PolarHBondContact OE1-NH1 3.37Å; E586-R593 IonicContact OE2-NH1 3.76Å; E586-R593 IonicContact OE2-NH2 2.87Å
587M96.4Very high95.8Very high90 Ų9043.3 Ų43.344%0.44323%0.232SC..Hα-helixtrans-58.6-42.7173.3-76.6177.863.100112.4E583 S584 T585 Y591E583-M587 WeakPolarHBondContact O-CB 3.42Å; E583-M587 VanDerWaalsContact O-CG 3.28Å; E583-M587 WeakPolarHBondContact O-CG 3.46Å; E583-M587 PolarHBondContact O-N 2.67Å; S584-M587 PolarHBondContact O-N 2.7Å; T585-M587 PolarHBondContact O-N 3.16Å; M587-Y591 PolarHBondContact O-N 2.94Å; M587-Y591 VanDerWaalsContact O-N 3.15Å
588L96.9Very high95.7Very high0 Ų044.3 Ų44.30%024%0.237CC..Hα-helixtrans-69.5-42.4176-170.152.6000111.4T200 A202 M205 I563 L567 I577 S584 T585 E586 D590 Y591 C592T200-L588 HydrophobicContact CG2-CD2 4.18Å; A202-L588 HydrophobicContact CB-CB 4.21Å; A202-L588 HydrophobicContact CB-CD2 3.94Å; M205-L588 HydrophobicContact CG-CB 3.74Å; M205-L588 HydrophobicContact CG-CD1 4.12Å; M205-L588 HydrophobicContact CG-CD2 4.45Å; M205-L588 HydrophobicContact CG-CG 4.32Å; M205-L588 HydrophobicContact SD-CD1 3.89Å; I563-L588 HydrophobicContact CG2-CD1 4Å; I563-L588 HydrophobicContact CG2-CD2 4.48Å; L567-L588 HydrophobicContact CD1-CD1 3.59Å; L567-L588 HydrophobicContact CD1-CG 4.48Å; I577-L588 HydrophobicContact CD1-CB 3.95Å; I577-L588 HydrophobicContact CD1-CD2 4.26Å; I577-L588 HydrophobicContact CD1-CG 3.86Å; I577-L588 HydrophobicContact CG1-CD2 4.06Å; I577-L588 HydrophobicContact CG1-CG 4.2Å; I577-L588 HydrophobicContact CG2-CB 4.39Å; I577-L588 HydrophobicContact CG2-CD2 3.92Å; S584-L588 PolarHBondContact O-N 3.46Å; S584-L588 VanDerWaalsContact O-N 3.07Å; T585-L588 PolarHBondContact O-N 3.38Å; E586-L588 VanDerWaalsContact C-N 3.33Å; E586-L588 PolarHBondContact O-N 2.96Å; L588-D590 VanDerWaalsContact C-N 3.31Å; L588-D590 PolarHBondContact O-N 3.12Å; L588-Y591 WeakPolarHBondContact O-CB 3.1Å; L588-Y591 PolarHBondContact O-N 3.15Å; L588-C592 PolarHBondContact O-N 3Å; L588-C592 PolarHBondContact O-SG 3Å; L588-C592 VanDerWaalsContact O-SG 3.39Å
589A97.2Very high95.5Very high0 Ų048 Ų480%026%0.261CS..Hα-helixtrans-60.7-43.5178.900000111.3I577 T585 E586 Y591 C592 R593 V603 T605I577-A589 VanDerWaalsContact CD1-CA 3.44Å; I577-A589 HydrophobicContact CD1-CB 3.72Å; T585-A589 WeakPolarHBondContact O-CB 3.19Å; T585-A589 PolarHBondContact O-N 3.19Å; E586-A589 PolarHBondContact O-N 3.47Å; A589-Y591 PolarHBondContact O-N 3.22Å; A589-C592 PolarHBondContact O-N 2.87Å; A589-R593 VanDerWaalsContact O-CG 3.25Å; A589-R593 WeakPolarHBondContact O-CG 3.15Å; A589-R593 PolarHBondContact O-N 2.99Å; A589-V603 HydrophobicContact CB-CG1 3.94Å; A589-T605 HydrophobicContact CB-CG2 3.73Å
590D96.8Very high95.3Very high50 Ų5055.9 Ų55.927%0.26730%0.295SS..Hα-helixtrans-63.1-39.8175.4-100.28.5000112.8E586 L588 R593 K594E586-D590 VanDerWaalsContact O-CB 3.32Å; E586-D590 WeakPolarHBondContact O-CB 3.48Å; E586-D590 PolarHBondContact O-N 2.79Å; L588-D590 VanDerWaalsContact C-N 3.31Å; L588-D590 PolarHBondContact O-N 3.12Å; D590-R593 PolarHBondContact O-N 3.04Å; D590-R593 IonicContact OD1-NH1 2.67Å; D590-R593 PolarHBondContact OD1-NH1 2.94Å; D590-K594 VanDerWaalsContact O-CB 3.27Å; D590-K594 WeakPolarHBondContact O-CB 3.19Å; D590-K594 WeakPolarHBondContact O-CG 3.39Å; D590-K594 PolarHBondContact O-N 2.83Å; D590-K594 IonicContact OD1-NZ 3.64Å; D590-K594 IonicContact OD2-NZ 3.33Å; D590-K594 PolarHBondContact OD2-NZ 3.42Å
591Y96.3Very high95.2Very high35 Ų3563.3 Ų63.314%0.13733%0.33CS..Hα-helixtrans-62.2-45.4173.3175.9-98000111.6K564 L567 M587 L588 A589 R593 K594 S595 L596K564-Y591 HydrophobicContact CB-CD1 4.42Å; K564-Y591 HydrophobicContact CB-CD2 4.43Å; K564-Y591 HydrophobicContact CB-CE1 3.83Å; K564-Y591 HydrophobicContact CB-CE2 3.82Å; K564-Y591 VanDerWaalsContact CB-CZ 3.49Å; K564-Y591 HydrophobicContact CD-CD2 3.8Å; K564-Y591 HydrophobicContact CD-CE2 3.83Å; K564-Y591 HydrophobicContact CD-CG 4.28Å; K564-Y591 HydrophobicContact CG-CD1 3.84Å; K564-Y591 HydrophobicContact CG-CD2 3.72Å; K564-Y591 HydrophobicContact CG-CE1 3.76Å; K564-Y591 HydrophobicContact CG-CE2 3.61Å; K564-Y591 HydrophobicContact CG-CG 3.82Å; K564-Y591 PolarHBondContact O-OH 3.2Å; L567-Y591 HydrophobicContact CB-CE1 4.27Å; L567-Y591 HydrophobicContact CD1-CD1 4.36Å; L567-Y591 HydrophobicContact CD1-CE1 4.41Å; M587-Y591 PolarHBondContact O-N 2.94Å; M587-Y591 VanDerWaalsContact O-N 3.15Å; L588-Y591 WeakPolarHBondContact O-CB 3.1Å; L588-Y591 PolarHBondContact O-N 3.15Å; A589-Y591 PolarHBondContact O-N 3.22Å; Y591-R593 VanDerWaalsContact C-N 3.35Å; Y591-R593 PolarHBondContact O-N 2.9Å; Y591-K594 PolarHBondContact O-N 2.97Å; Y591-S595 WeakPolarHBondContact CD2-OG 3.28Å; Y591-S595 WeakPolarHBondContact O-CA 3.27Å; Y591-S595 VanDerWaalsContact O-CB 3.32Å; Y591-S595 WeakPolarHBondContact O-CB 3.45Å; Y591-S595 PolarHBondContact O-N 3.45Å; Y591-L596 HydrophobicContact CE1-CD1 4.28Å; Y591-L596 HydrophobicContact CE1-CD2 4.26Å; Y591-L596 HydrophobicContact CE1-CG 4.04Å; Y591-L596 PolarHBondContact O-N 2.9Å
592C96.8Very high95.2Very high0 Ų064.5 Ų64.50%033%0.333CS..Hα-helixtrans-60.4-43176.8-70.90000112L588 A589 L596 G597 L598 V603L588-C592 PolarHBondContact O-N 3Å; L588-C592 PolarHBondContact O-SG 3Å; L588-C592 VanDerWaalsContact O-SG 3.39Å; A589-C592 PolarHBondContact O-N 2.87Å; C592-L596 HydrophobicContact CB-CD1 4.26Å; C592-L596 WeakPolarHBondContact O-CB 3.26Å; C592-G597 PolarHBondContact O-N 2.9Å; C592-L598 HydrophobicContact CB-CD1 4.29Å; C592-L598 PolarHBondContact O-N 2.97Å; C592-L598 VanDerWaalsContact O-N 3.13Å; C592-V603 HydrophobicContact CB-CG1 4.08Å; C592-V603 HydrophobicContact CB-CG2 3.84Å
593R96.3Very high95.3Very high56 Ų5661.1 Ų61.121%0.21131%0.311CS..Hα-helixtrans-69-47.3178.9-65.9165.4-166.3149.20.7112.3E586 A589 D590 Y591 G597 V603E586-R593 IonicContact OE1-CZ 3.44Å; E586-R593 IonicContact OE1-NH1 3.49Å; E586-R593 PolarHBondContact OE1-NH1 3.37Å; E586-R593 IonicContact OE2-NH1 3.76Å; E586-R593 IonicContact OE2-NH2 2.87Å; A589-R593 VanDerWaalsContact O-CG 3.25Å; A589-R593 WeakPolarHBondContact O-CG 3.15Å; A589-R593 PolarHBondContact O-N 2.99Å; D590-R593 PolarHBondContact O-N 3.04Å; D590-R593 IonicContact OD1-NH1 2.67Å; D590-R593 PolarHBondContact OD1-NH1 2.94Å; Y591-R593 VanDerWaalsContact C-N 3.35Å; Y591-R593 PolarHBondContact O-N 2.9Å; R593-G597 WeakPolarHBondContact O-CA 3.07Å; R593-V603 HydrophobicContact CG-CB 4.32Å; R593-V603 HydrophobicContact CG-CG2 4.09Å
594K95Very high95.3Very high152 Ų15255.6 Ų55.666%0.66129%0.285SS*.Hα-helixtrans-85.6-47.6-171.3-66.2167.9179.6161.20113D590 Y591D590-K594 VanDerWaalsContact O-CB 3.27Å; D590-K594 WeakPolarHBondContact O-CB 3.19Å; D590-K594 WeakPolarHBondContact O-CG 3.39Å; D590-K594 PolarHBondContact O-N 2.83Å; D590-K594 IonicContact OD1-NZ 3.64Å; D590-K594 IonicContact OD2-NZ 3.33Å; D590-K594 PolarHBondContact OD2-NZ 3.42Å; Y591-K594 PolarHBondContact O-N 2.97Å
595S93Very high95.4Very high72 Ų7257.3 Ų57.350%0.50330%0.295SS..THydrogen-bonded Turntrans-93.9-34.4-170.6-59.80000113.8Y591Y591-S595 WeakPolarHBondContact CD2-OG 3.28Å; Y591-S595 WeakPolarHBondContact O-CA 3.27Å; Y591-S595 VanDerWaalsContact O-CB 3.32Å; Y591-S595 WeakPolarHBondContact O-CB 3.45Å; Y591-S595 PolarHBondContact O-N 3.45Å
596L93.5Very high95.4Very high42 Ų4257.2 Ų57.222%0.2230%0.295CS..SBendtrans-85.9-17.3171.3-56.8172000112.3L567 H568 Y591 C592 L598L567-L596 HydrophobicContact CB-CD1 3.87Å; L567-L596 HydrophobicContact CB-CD2 4.47Å; H568-L596 HydrophobicContact CB-CD2 4.21Å; Y591-L596 HydrophobicContact CE1-CD1 4.28Å; Y591-L596 HydrophobicContact CE1-CD2 4.26Å; Y591-L596 HydrophobicContact CE1-CG 4.04Å; Y591-L596 PolarHBondContact O-N 2.9Å; C592-L596 HydrophobicContact CB-CD1 4.26Å; C592-L596 WeakPolarHBondContact O-CB 3.26Å; L596-L598 VanDerWaalsContact C-N 3.33Å; L596-L598 HydrophobicContact CB-CG 4.21Å; L596-L598 HydrophobicContact CD1-CD1 4.36Å
597G93.1Very high95.3Very high56 Ų5659.8 Ų59.858%0.57731%0.305SS*.  trans72.725-178.700000113.3C592 R593C592-G597 PolarHBondContact O-N 2.9Å; R593-G597 WeakPolarHBondContact O-CA 3.07Å
598L94.8Very high95.2Very high23 Ų2359.1 Ų59.112%0.1230%0.303CS..  trans-72.7134.6177.2-70176.7000110.8P572 V575 C592 L596 V603P572-L598 WeakPolarHBondContact O-CD2 3.38Å; V575-L598 HydrophobicContact CG2-CD1 3.74Å; C592-L598 HydrophobicContact CB-CD1 4.29Å; C592-L598 PolarHBondContact O-N 2.97Å; C592-L598 VanDerWaalsContact O-N 3.13Å; L596-L598 VanDerWaalsContact C-N 3.33Å; L596-L598 HydrophobicContact CB-CG 4.21Å; L596-L598 HydrophobicContact CD1-CD1 4.36Å; L598-V603 HydrophobicContact CB-CG2 3.65Å; L598-V603 HydrophobicContact CD1-CG2 4.1Å
599P93.2Very high94.9Very high78 Ų7861 Ų6151%0.50632%0.321SS..  trans-57148.3172.3-22.332.3000111.1E601 K602P599-E601 PolarHBondContact O-N 2.98Å; P599-E601 VanDerWaalsContact O-N 3.13Å; P599-K602 HydrophobicContact CB-CG 4.35Å; P599-K602 HydrophobicContact CG-CG 4.34Å; P599-K602 PolarHBondContact O-N 3.44Å
600K92.1Very high94.8Very high166 Ų16665.1 Ų65.172%0.72234%0.341SS*.G310 helixtrans-54.1-35.9179-173.9179.7176.9-177.10112.5K602 V603K600-K602 PolarHBondContact O-N 2.86Å; K600-V603 PolarHBondContact O-N 3.09Å
601E91.9Very high94.7Very high156 Ų15664.9 Ų64.973%0.72934%0.341SS*.G310 helixtrans-70.8-11.8179.5-62.2171.8-170.600114.1P599 F604P599-E601 PolarHBondContact O-N 2.98Å; P599-E601 VanDerWaalsContact O-N 3.13Å; E601-F604 WeakPolarHBondContact O-CE1 3.07Å; E601-F604 WeakPolarHBondContact O-CZ 3.5Å
602K94.4Very high94.6Very high60 Ų6063.6 Ų63.626%0.26134%0.337SS..G310 helixtrans-108.65179.8-58.7-46.2-162179.80113.1Q574 V575 P599 K600Q574-K602 WeakPolarHBondContact CA-O 3.42Å; Q574-K602 HydrophobicContact CB-CB 4.48Å; Q574-K602 HydrophobicContact CG-CB 4.16Å; Q574-K602 HydrophobicContact CG-CD 3.89Å; Q574-K602 HydrophobicContact CG-CG 4.33Å; V575-K602 PolarHBondContact N-O 3.45Å; P599-K602 HydrophobicContact CB-CG 4.35Å; P599-K602 HydrophobicContact CG-CG 4.34Å; P599-K602 PolarHBondContact O-N 3.44Å; K600-K602 PolarHBondContact O-N 2.86Å
603V97.3Very high94.4Very high7 Ų767.6 Ų67.64%0.04236%0.358CS..EExtended strand (participates in β ladder)trans-119.2105.6176-178.80000108.1I577 A589 C592 R593 L598 K600I577-V603 HydrophobicContact CD1-CG1 4.08Å; A589-V603 HydrophobicContact CB-CG1 3.94Å; C592-V603 HydrophobicContact CB-CG1 4.08Å; C592-V603 HydrophobicContact CB-CG2 3.84Å; R593-V603 HydrophobicContact CG-CB 4.32Å; R593-V603 HydrophobicContact CG-CG2 4.09Å; L598-V603 HydrophobicContact CB-CG2 3.65Å; L598-V603 HydrophobicContact CD1-CG2 4.1Å; K600-V603 PolarHBondContact O-N 3.09Å
604F97.5Very high94.1Very high39 Ų3965.1 Ų65.117%0.17135%0.349CS..EExtended strand (participates in β ladder)trans-104135.5-174.4-53.7-82.5000111.3Q574 V575 I576 I577 E601 V612 A614Q574-F604 HydrophobicContact CB-CE2 4.37Å; V575-F604 WeakPolarHBondContact O-CD2 3.48Å; V575-F604 PolarHBondContact O-N 3.12Å; I576-F604 HydrophobicContact CB-CB 4.43Å; I576-F604 HydrophobicContact CG1-CB 3.86Å; I576-F604 HydrophobicContact CG1-CD2 3.77Å; I576-F604 HydrophobicContact CG1-CG 4.16Å; I576-F604 HydrophobicContact CG2-CB 4.5Å; I577-F604 PolarHBondContact N-O 2.94Å; E601-F604 WeakPolarHBondContact O-CE1 3.07Å; E601-F604 WeakPolarHBondContact O-CZ 3.5Å; F604-V612 HydrophobicContact CB-CG1 3.79Å; F604-V612 HydrophobicContact CB-CG2 4.46Å; F604-V612 HydrophobicContact CD1-CG1 3.38Å; F604-V612 HydrophobicContact CD2-CG1 4.06Å; F604-V612 HydrophobicContact CE1-CG1 3.87Å; F604-V612 HydrophobicContact CE2-CG1 4.48Å; F604-V612 HydrophobicContact CG-CG1 3.48Å; F604-V612 VanDerWaalsContact CG-CG1 3.48Å; F604-V612 HydrophobicContact CZ-CG1 4.39Å; F604-A614 HydrophobicContact CE2-CB 4.16Å
605T97.1Very high93.9Very high37 Ų3759 Ų5923%0.22733%0.325CS..  trans-127.474.7176.554.40000107.8M14 I577 T585 A589M14-T605 VanDerWaalsContact CE-O 3.27Å; M14-T605 WeakPolarHBondContact CE-O 3.36Å; I577-T605 HydrophobicContact CB-CG2 4.49Å; I577-T605 HydrophobicContact CD1-CG2 4.3Å; T585-T605 HydrophobicContact CG2-CG2 3.63Å; A589-T605 HydrophobicContact CB-CG2 3.73Å
606P96.5Very high93.4Very high2 Ų258 Ų581%0.01331%0.313CS..PPolyproline II helixtrans-63.8146.5-17127.1-36.4000111.9P9 V13 I576 I577 V578 V612P9-P606 HydrophobicContact CG-CB 3.91Å; P9-P606 HydrophobicContact CG-CG 4.25Å; V13-P606 HydrophobicContact CG1-CG 4.18Å; I576-P606 HydrophobicContact CG2-CG 3.89Å; I577-P606 WeakPolarHBondContact O-CD 3.37Å; V578-P606 HydrophobicContact CG1-CG 4.5Å; P606-V612 HydrophobicContact CB-CG2 3.67Å
607K95.3Very high92.6Very high135 Ų13560.4 Ų60.459%0.58732%0.324SS*.PPolyproline II helixtrans-89.6164.6165.9-62.4175.3-175.2174.30110.7P9 M14 G609 E610P9-K607 WeakPolarHBondContact CG-O 3.48Å; M14-K607 HydrophobicContact CE-CG 4.41Å; K607-G609 PolarHBondContact O-N 3.1Å; K607-E610 HydrophobicContact CB-CB 4.17Å; K607-E610 WeakPolarHBondContact CB-OE2 3.45Å; K607-E610 WeakPolarHBondContact CG-OE2 3.39Å; K607-E610 PolarHBondContact N-OE2 3.37Å; K607-E610 VanDerWaalsContact O-CB 3.23Å; K607-E610 WeakPolarHBondContact O-CB 3.31Å; K607-E610 PolarHBondContact O-N 3.17Å
608L94.2Very high91.4Very high76 Ų7662.2 Ų62.240%0.39833%0.327SS..THydrogen-bonded Turntrans-57.2119.2178.2-168.461.7000111.6L10 V13 R47 E610L10-L608 WeakPolarHBondContact O-CD1 3.24Å; V13-L608 HydrophobicContact CG2-CB 4.1Å; V13-L608 HydrophobicContact CG2-CD1 4.07Å; R47-L608 VanDerWaalsContact NH1-CG 3.26Å; L608-E610 VanDerWaalsContact C-N 3.29Å; L608-E610 PolarHBondContact O-N 3.41Å
609G90.7Very high90.1Very high38 Ų3868.2 Ų68.239%0.39235%0.354SS..THydrogen-bonded Turntrans75.46.4-175.600000115.5P9 K607P9-G609 PolarHBondContact O-N 3.26Å; K607-G609 PolarHBondContact O-N 3.1Å
610E94Very high89Confident88 Ų8867 Ų6741%0.41134%0.343SS..  trans-82.2119174.8-175.8-17817300110.3P9 K607 L608 V612P9-E610 WeakPolarHBondContact CD-O 3.45Å; K607-E610 HydrophobicContact CB-CB 4.17Å; K607-E610 WeakPolarHBondContact CB-OE2 3.45Å; K607-E610 WeakPolarHBondContact CG-OE2 3.39Å; K607-E610 PolarHBondContact N-OE2 3.37Å; K607-E610 VanDerWaalsContact O-CB 3.23Å; K607-E610 WeakPolarHBondContact O-CB 3.31Å; K607-E610 PolarHBondContact O-N 3.17Å; L608-E610 VanDerWaalsContact C-N 3.29Å; L608-E610 PolarHBondContact O-N 3.41Å; E610-V612 PolarHBondContact O-N 3.09Å
611V95Very high87.9Confident45 Ų4568 Ų6827%0.27334%0.343SS..  trans-77113.6173.9-175.30000109.3K6 E8K6-V611 HydrophobicContact CB-CG1 4.08Å; K6-V611 HydrophobicContact CD-CG1 4.21Å; K6-V611 HydrophobicContact CG-CG1 4.47Å; E8-V611 HydrophobicContact CB-CG2 4.2Å; E8-V611 HydrophobicContact CG-CG2 4.2Å; E8-V611 WeakPolarHBondContact OE2-CG2 3.4Å
612V94.2Very high86.8Confident8 Ų863.6 Ų63.65%0.04832%0.323CS..EExtended strand (participates in β ladder)trans-93.9124.4173.7168.50000109.9K6 L7 I576 F604 P606 E610K6-V612 CarbonylContact C-O 3.47Å; K6-V612 WeakPolarHBondContact CA-O 3.31Å; L7-V612 PolarHBondContact N-O 3.22Å; L7-V612 PolarHBondContact O-N 3.37Å; I576-V612 HydrophobicContact CD1-CG1 4.24Å; I576-V612 HydrophobicContact CG1-CG1 4.35Å; F604-V612 HydrophobicContact CB-CG1 3.79Å; F604-V612 HydrophobicContact CB-CG2 4.46Å; F604-V612 HydrophobicContact CD1-CG1 3.38Å; F604-V612 HydrophobicContact CD2-CG1 4.06Å; F604-V612 HydrophobicContact CE1-CG1 3.87Å; F604-V612 HydrophobicContact CE2-CG1 4.48Å; F604-V612 HydrophobicContact CG-CG1 3.48Å; F604-V612 VanDerWaalsContact CG-CG1 3.48Å; F604-V612 HydrophobicContact CZ-CG1 4.39Å; P606-V612 HydrophobicContact CB-CG2 3.67Å; E610-V612 PolarHBondContact O-N 3.09Å
613D92.4Very high86Confident84 Ų8462.9 Ų62.945%0.44932%0.324SS..EExtended strand (participates in β ladder)trans-91.9109.7171.3-162.6-27.7000110.4K6 T615K6-D613 WeakPolarHBondContact CE-OD2 3.25Å; K6-D613 HydrophobicContact CG-CB 4.35Å; D613-T615 WeakPolarHBondContact OD1-CB 3.5Å; D613-T615 PolarHBondContact OD1-N 3.01Å; D613-T615 PolarHBondContact OD1-OG1 3.29Å
614A91.9Very high85Confident3 Ų367.2 Ų67.23%0.02534%0.342CS..  trans-103.417.2179.300000112.2V5 L197 Q574 I576 F604 I616V5-A614 HydrophobicContact CG1-CB 4.41Å; V5-A614 PolarHBondContact O-N 3.09Å; L197-A614 HydrophobicContact CD1-CB 4.19Å; L197-A614 HydrophobicContact CD2-CB 3.93Å; Q574-A614 PolarHBondContact NE2-O 3.03Å; Q574-A614 PolarHBondContact OE1-O 3.17Å; I576-A614 HydrophobicContact CD1-CB 4.2Å; F604-A614 HydrophobicContact CE2-CB 4.16Å; A614-I616 PolarHBondContact O-N 2.92Å
615T89.3Confident84.2Confident25 Ų2568.8 Ų68.815%0.15335%0.352CS..  trans-60.5126.5177.4-54.10000110.3I4 V5 D613 E617 I620I4-T615 WeakPolarHBondContact CA-OG1 3.43Å; V5-T615 PolarHBondContact N-OG1 3.08Å; V5-T615 PolarHBondContact O-N 3.38Å; D613-T615 WeakPolarHBondContact OD1-CB 3.5Å; D613-T615 PolarHBondContact OD1-N 3.01Å; D613-T615 PolarHBondContact OD1-OG1 3.29Å; T615-E617 WeakPolarHBondContact CG2-O 3.44Å; T615-I620 HydrophobicContact CG2-CD1 4.16Å
616I82.7Confident83.4Confident50 Ų5068 Ų6826%0.25635%0.348SS..  trans-79.3-45.2-178.1-69.8170.8000111.1K573 Q574 A614K573-I616 HydrophobicContact CD-CD1 4.41Å; Q574-I616 HydrophobicContact CG-CG1 4.46Å; Q574-I616 VanDerWaalsContact NE2-CG1 3.29Å; A614-I616 PolarHBondContact O-N 2.92Å
617E77.8Confident82.6Confident93 Ų9374.8 Ų74.844%0.43538%0.384SS..  trans-78.7129.5-176.5-65.5-59150.900110.6T2 T615 H619 I620T2-E617 HydrophobicContact CG2-CG 3.92Å; T615-E617 WeakPolarHBondContact CG2-O 3.44Å; E617-H619 VanDerWaalsContact C-N 3.31Å; E617-H619 PolarHBondContact O-N 3.49Å; E617-I620 HydrophobicContact CB-CD1 3.6Å; E617-I620 HydrophobicContact CB-CG1 3.71Å; E617-I620 HydrophobicContact CG-CD1 4.14Å
618S67.4Low81.9Confident93 Ų9371 Ų7165%0.6538%0.375SS*.THydrogen-bonded Turntrans-80.2-9.7-17554.80000114.3
619H68.3Low81.3Confident149 Ų14967.6 Ų67.669%0.6936%0.357SS*.THydrogen-bonded Turntrans-126.738.8-171.6-58.3-38.3000112.6E617 Y621E617-H619 VanDerWaalsContact C-N 3.31Å; E617-H619 PolarHBondContact O-N 3.49Å; H619-Y621 HydrophobicContact CB-CE2 4.49Å
620I68.5Low80.9Confident54 Ų5470 Ų7028%0.27736%0.359SS..  trans-96.2123.6169.7-60.5179.7000108.4I4 T615 E617I4-I620 HydrophobicContact CD1-CG2 4.16Å; I4-I620 HydrophobicContact CG1-CG2 3.71Å; T615-I620 HydrophobicContact CG2-CD1 4.16Å; E617-I620 HydrophobicContact CB-CD1 3.6Å; E617-I620 HydrophobicContact CB-CG1 3.71Å; E617-I620 HydrophobicContact CG-CD1 4.14Å
621Y70.1Confident80.4Confident185 Ų18570.5 Ų70.573%0.72537%0.372SS*.  trans-123132.5173.9-60.1-86.2000108.5H619H619-Y621 HydrophobicContact CB-CE2 4.49Å
622Q68.5Low79.7Confident64 Ų6471.7 Ų71.730%0.29938%0.383SS..  trans-96.7128.7170.1-167.4177.8100108.6I4 D27 T703I4-Q622 HydrophobicContact CD1-CB 3.92Å; D27-Q622 PolarHBondContact OD1-NE2 3.14Å; D27-Q622 PolarHBondContact OD2-NE2 2.81Å; Q622-T703 PolarHBondContact O-OG1 3.23Å; Q622-T703 VanDerWaalsContact O-OG1 3.09Å
623V76.4Confident79.2Confident45 Ų4572.5 Ų72.527%0.27339%0.386SS..  trans-138.2132.8-179.7-165.60000108.3V670 Y704 L705V623-V670 HydrophobicContact CG1-CG1 4.42Å; V623-V670 HydrophobicContact CG2-CG2 4.47Å; V623-Y704 VanDerWaalsContact CG1-C 3.47Å; V623-L705 HydrophobicContact CB-CG 4.25Å; V623-L705 HydrophobicContact CG1-CB 4.44Å; V623-L705 HydrophobicContact CG1-CD2 3.97Å; V623-L705 HydrophobicContact CG1-CG 3.65Å
624K77.8Confident78.7Confident99 Ų9977.3 Ų77.343%0.4340%0.403SS..EExtended strand (participates in β ladder)trans-78.4138.4176.2-70.7-176.6-179.2172.90110.8D701 T703 Y704 L705K624-D701 WeakPolarHBondContact CE-OD1 3.2Å; K624-D701 IonicContact NZ-OD1 3.79Å; K624-D701 PolarHBondContact NZ-OD1 3.04Å; K624-D701 IonicContact NZ-OD2 3.51Å; K624-T703 PolarHBondContact N-O 2.85Å; K624-Y704 CarbonylContact O-C 3.58Å; K624-Y704 WeakPolarHBondContact O-CA 3.47Å; K624-L705 PolarHBondContact O-N 2.67Å
625L79.3Confident78.3Confident72 Ų7282 Ų8238%0.37742%0.423SS..EExtended strand (participates in β ladder)trans-77.5127.3168.7-70.9165.5000108.9I629 M630 V666 L705L625-I629 HydrophobicContact CD2-CG2 3.9Å; L625-M630 HydrophobicContact CB-CE 4.24Å; L625-M630 HydrophobicContact CD1-CE 3.6Å; L625-V666 HydrophobicContact CD2-CG1 4.48Å; L625-L705 HydrophobicContact CD2-CB 4.33Å; L625-L705 HydrophobicContact CD2-CD1 3.62Å
626S81Confident77.9Confident21 Ų2181.8 Ų81.815%0.14742%0.424CS..PPolyproline II helixtrans-68.2150.3169.654.40000111S628 I629 M630 L705S626-S628 PolarHBondContact O-N 3.41Å; S626-S628 PolarHBondContact OG-OG 3.2Å; S626-S628 VanDerWaalsContact OG-OG 3.11Å; S626-I629 PolarHBondContact O-N 3.1Å; S626-I629 WeakPolarHBondContact OG-CG1 3.47Å; S626-I629 PolarHBondContact OG-N 3.02Å; S626-M630 PolarHBondContact O-N 2.99Å; S626-L705 VanDerWaalsContact CB-O 3.3Å; S626-L705 WeakPolarHBondContact CB-O 3.44Å; S626-L705 PolarHBondContact OG-O 2.87Å
627D79.3Confident77.6Confident144 Ų14485.3 Ų85.377%0.7744%0.438SS*.Hα-helixtrans-58.3-33.6177.5-67.6-25.6000112M630 S631D627-M630 PolarHBondContact O-N 2.82Å; D627-S631 WeakPolarHBondContact O-CB 2.9Å; D627-S631 PolarHBondContact O-N 2.85Å; D627-S631 PolarHBondContact O-OG 3.13Å
628S81Confident77.2Confident56 Ų5681.2 Ų81.239%0.39242%0.42SS..Hα-helixtrans-61.6-45.3174.245.50000112.1S626 S631 S632S626-S628 PolarHBondContact O-N 3.41Å; S626-S628 PolarHBondContact OG-OG 3.2Å; S626-S628 VanDerWaalsContact OG-OG 3.11Å; S628-S631 PolarHBondContact O-OG 3.03Å; S628-S632 PolarHBondContact O-N 3.16Å
629I82.9Confident77.1Confident4 Ų482 Ų822%0.02141%0.412CS..Hα-helixtrans-64.4-51.5173.8-69.1175.8000109.9L625 S626 S631 S632 L633 V666 A668 L705 V707L625-I629 HydrophobicContact CD2-CG2 3.9Å; S626-I629 PolarHBondContact O-N 3.1Å; S626-I629 WeakPolarHBondContact OG-CG1 3.47Å; S626-I629 PolarHBondContact OG-N 3.02Å; I629-S631 PolarHBondContact O-N 3.19Å; I629-S632 WeakPolarHBondContact O-CA 3.47Å; I629-S632 WeakPolarHBondContact O-CB 3.03Å; I629-S632 PolarHBondContact O-N 3.04Å; I629-S632 PolarHBondContact O-OG 2.9Å; I629-L633 HydrophobicContact CG2-CD1 4.26Å; I629-L633 HydrophobicContact CG2-CD2 4.41Å; I629-L633 HydrophobicContact CG2-CG 4.21Å; I629-L633 WeakPolarHBondContact O-CG 3.44Å; I629-L633 PolarHBondContact O-N 2.91Å; I629-V666 HydrophobicContact CG2-CG1 3.87Å; I629-A668 HydrophobicContact CD1-CB 3.56Å; I629-L705 HydrophobicContact CD1-CB 3.39Å; I629-L705 WeakPolarHBondContact CD1-O 3.43Å; I629-V707 HydrophobicContact CB-CG2 4.29Å; I629-V707 HydrophobicContact CG1-CB 4.26Å; I629-V707 HydrophobicContact CG1-CG2 3.39Å
630M81.6Confident76.3Confident87 Ų8779.9 Ų79.943%0.42940%0.402SS..Hα-helixtrans-54.6-42.2-176.6-173.860.672.700111.7L625 S626 D627 S632 L633 F635L625-M630 HydrophobicContact CB-CE 4.24Å; L625-M630 HydrophobicContact CD1-CE 3.6Å; S626-M630 PolarHBondContact O-N 2.99Å; D627-M630 PolarHBondContact O-N 2.82Å; M630-S632 VanDerWaalsContact C-N 3.3Å; M630-S632 PolarHBondContact O-N 3.17Å; M630-L633 PolarHBondContact O-N 3.11Å; M630-L633 HydrophobicContact SD-CD1 4.24Å; M630-F635 HydrophobicContact SD-CE2 4.5Å; M630-F635 HydrophobicContact SD-CZ 4.14Å
631S82.1Confident75.1Confident100 Ų10080.4 Ų80.470%0.69941%0.407SS*.Hα-helixtrans-67.8-25.2176.371.90000114.5D627 S628 I629D627-S631 WeakPolarHBondContact O-CB 2.9Å; D627-S631 PolarHBondContact O-N 2.85Å; D627-S631 PolarHBondContact O-OG 3.13Å; S628-S631 PolarHBondContact O-OG 3.03Å; I629-S631 PolarHBondContact O-N 3.19Å
632S82Confident73.8Confident70 Ų7075.7 Ų75.749%0.4940%0.395SS..Hα-helixtrans-85.4-15.5179.974.60000113.9S628 I629 M630 K634S628-S632 PolarHBondContact O-N 3.16Å; I629-S632 WeakPolarHBondContact O-CA 3.47Å; I629-S632 WeakPolarHBondContact O-CB 3.03Å; I629-S632 PolarHBondContact O-N 3.04Å; I629-S632 PolarHBondContact O-OG 2.9Å; M630-S632 VanDerWaalsContact C-N 3.3Å; M630-S632 PolarHBondContact O-N 3.17Å; S632-K634 PolarHBondContact O-N 3.28Å
633L83.7Confident72.4Confident24 Ų2477 Ų7713%0.12640%0.401CS..  trans-70.5129.9-174.7-70.8172.5000112.3I629 M630 F635 A664 W665 V666I629-L633 HydrophobicContact CG2-CD1 4.26Å; I629-L633 HydrophobicContact CG2-CD2 4.41Å; I629-L633 HydrophobicContact CG2-CG 4.21Å; I629-L633 WeakPolarHBondContact O-CG 3.44Å; I629-L633 PolarHBondContact O-N 2.91Å; M630-L633 PolarHBondContact O-N 3.11Å; M630-L633 HydrophobicContact SD-CD1 4.24Å; L633-F635 HydrophobicContact CB-CD2 4.28Å; L633-F635 HydrophobicContact CB-CE2 3.67Å; L633-F635 HydrophobicContact CB-CZ 3.92Å; L633-F635 HydrophobicContact CD1-CE2 4.47Å; L633-F635 HydrophobicContact CD1-CZ 3.95Å; L633-A664 HydrophobicContact CB-CB 3.99Å; L633-A664 HydrophobicContact CD2-CB 3.97Å; L633-A664 HydrophobicContact CG-CB 4.37Å; L633-W665 WeakPolarHBondContact CD2-O 3.37Å; L633-V666 HydrophobicContact CD1-CG2 4.01Å; L633-V666 HydrophobicContact CD2-CB 4.12Å; L633-V666 HydrophobicContact CD2-CG1 4.49Å; L633-V666 HydrophobicContact CD2-CG2 3.36Å; L633-V666 HydrophobicContact CG-CG2 4.32Å
634K81.5Confident70.5Confident186 Ų18679.9 Ų79.981%0.80942%0.419SS*.  trans-97.3101.5172.5-68-178.2-177.3174.10109.5S632S632-K634 PolarHBondContact O-N 3.28Å
635F82.8Confident68.6Low100 Ų10076.7 Ų76.744%0.43941%0.408SS..  trans-77.8128178-67.2-83.6000111.7M630 L633 E662 L663 A664M630-F635 HydrophobicContact SD-CE2 4.5Å; M630-F635 HydrophobicContact SD-CZ 4.14Å; L633-F635 HydrophobicContact CB-CD2 4.28Å; L633-F635 HydrophobicContact CB-CE2 3.67Å; L633-F635 HydrophobicContact CB-CZ 3.92Å; L633-F635 HydrophobicContact CD1-CE2 4.47Å; L633-F635 HydrophobicContact CD1-CZ 3.95Å; F635-E662 HydrophobicContact CB-CB 4.19Å; F635-E662 HydrophobicContact CD1-CB 3.97Å; F635-E662 HydrophobicContact CG-CB 4.42Å; F635-L663 CarbonylContact C-O 3.29Å; F635-L663 WeakPolarHBondContact CA-O 3.21Å; F635-A664 HydrophobicContact CD1-CB 3.74Å; F635-A664 HydrophobicContact CE1-CB 3.83Å; F635-A664 HydrophobicContact CG-CB 4.22Å; F635-A664 HydrophobicContact CZ-CB 4.37Å
636A80.5Confident66.4Low22 Ų2276.7 Ų76.718%0.18242%0.419CS..EExtended strand (participates in β ladder)trans-104.1129.7169.300000109.3A638 L663 A785 I787A636-A638 PolarHBondContact O-N 2.71Å; A636-L663 PolarHBondContact N-O 3Å; A636-L663 PolarHBondContact O-N 2.74Å; A636-A785 HydrophobicContact CB-CB 4.04Å; A636-I787 HydrophobicContact CB-CG1 4.38Å
637K77Confident64.2Low123 Ų12384.3 Ų84.354%0.53545%0.449SS..EExtended strand (participates in β ladder)trans-77.3114.6178-65.9-169.8172-158.40110.9D660 E662K637-D660 HydrophobicContact CD-CB 4.46Å; K637-D660 IonicContact NZ-OD2 3.3Å; K637-E662 VanDerWaalsContact CE-OE1 3.23Å; K637-E662 WeakPolarHBondContact CE-OE1 3.34Å; K637-E662 HydrophobicContact CG-CG 4.17Å
638A69.2Low62Low7 Ų782.5 Ų82.56%0.05844%0.439CS..EExtended strand (participates in β ladder)trans-85.7129.6166.800000110.2A636 V661 L663 A785A636-A638 PolarHBondContact O-N 2.71Å; A638-V661 WeakPolarHBondContact CA-O 3.35Å; A638-V661 HydrophobicContact CB-CB 4.37Å; A638-V661 WeakPolarHBondContact CB-O 3.3Å; A638-V661 PolarHBondContact N-O 3.02Å; A638-V661 PolarHBondContact O-N 2.76Å; A638-L663 HydrophobicContact CB-CD1 3.69Å; A638-L663 HydrophobicContact CB-CG 4.28Å; A638-A785 HydrophobicContact CB-CB 4.02Å
639K65Low60Low111 Ų11183.3 Ų83.348%0.48345%0.449SS..PPolyproline II helixtrans-92.6117.9172.2-69.7-179.8178.2174.90108.1N722K639-N722 PolarHBondContact N-ND2 3.5Å; K639-N722 PolarHBondContact O-OD1 3.37Å
640E51.4Low57.8Low104 Ų10490.6 Ų90.649%0.48649%0.487SS..PPolyproline II helixtrans-64.2140.3170.8-83-161.7156.400111.7N642 L658 V661E640-N642 PolarHBondContact O-N 3.23Å; E640-N642 PolarHBondContact OE2-ND2 2.96Å; E640-L658 WeakPolarHBondContact OE2-CD1 3.45Å; E640-V661 HydrophobicContact CG-CG2 4.47Å
641V43.7Very low56Low64 Ų6493.5 Ų93.539%0.38850%0.5SS..  trans-84.960.7175.8-1710000109.8
642N42.4Very low53.6Low86 Ų8692.5 Ų92.546%0.4651%0.505SS..  trans-99.882.1174-82.3-30.1000111.2E640 T644E640-N642 PolarHBondContact O-N 3.23Å; E640-N642 PolarHBondContact OE2-ND2 2.96Å; N642-T644 PolarHBondContact O-N 3.06Å
643H41.1Very low51.3Low91 Ų9198.4 Ų98.442%0.42152%0.518SS..THydrogen-bonded Turntrans-70.9-2.4175.6-90-68.6000115.1N728H643-N728 PolarHBondContact CE1-OD1 2.98Å; H643-N728 PolarHBondContact NE2-ND2 3.18Å; H643-N728 PolarHBondContact NE2-OD1 2.99Å
644T34.7Very low48.7Very low107 Ų107107.2 Ų107.266%0.65656%0.555SS**THydrogen-bonded Turntrans-85.2-22.6176.139.60000113.2N642N642-T644 PolarHBondContact O-N 3.06Å
645C38.2Very low46.2Very low31 Ų31103.8 Ų103.821%0.20955%0.545CS..THydrogen-bonded Turntrans-81.9-34.1179-77.60000113.7K647 L648 C657C645-K647 VanDerWaalsContact C-N 3.3Å; C645-K647 PolarHBondContact O-N 2.67Å; C645-L648 PolarHBondContact O-N 3.29Å; C645-C657 WeakPolarHBondContact CB-SG 3.36Å
646A33.8Very low43.8Very low72 Ų72108.8 Ų108.860%0.59557%0.567SS**THydrogen-bonded Turntrans-69.3-24.8-175.500000113.7
647K34.3Very low41.7Very low181 Ų181111.5 Ų111.579%0.78758%0.584SS**THydrogen-bonded Turntrans-77-23.1-179.8-121.8-178-178.4-176.60113.7C645C645-K647 VanDerWaalsContact C-N 3.3Å; C645-K647 PolarHBondContact O-N 2.67Å
648L33.7Very low39.9Very low107 Ų107111.4 Ų111.456%0.5659%0.588SS**THydrogen-bonded Turntrans-97-8.7-178.8-74.8161.8000113.4C645 L650 E651C645-L648 PolarHBondContact O-N 3.29Å; L648-L650 PolarHBondContact O-N 3.4Å; L648-L650 VanDerWaalsContact O-N 3.12Å; L648-E651 PolarHBondContact O-N 3.02Å
649A37.9Very low38.9Very low73 Ų73119.8 Ų119.860%0.60363%0.626SS**G310 helixtrans-65.5-10.2172.300000113.6E651A649-E651 VanDerWaalsContact C-N 3.29Å; A649-E651 PolarHBondContact O-N 2.85Å
650L38.1Very low38.5Very low156 Ų156118.9 Ų118.982%0.81763%0.627SS**G310 helixtrans-76.8-8.3174.7-85.6158.7000114L648L648-L650 PolarHBondContact O-N 3.4Å; L648-L650 VanDerWaalsContact O-N 3.12Å
651E41.9Very low39.3Very low149 Ų149117 Ų11770%0.69662%0.622SS**G310 helixtrans-117.531.4-178.4-68.9-173166.200114.2L648 A649 Y653L648-E651 PolarHBondContact O-N 3.02Å; A649-E651 VanDerWaalsContact C-N 3.29Å; A649-E651 PolarHBondContact O-N 2.85Å; E651-Y653 VanDerWaalsContact O-CD2 3.23Å; E651-Y653 WeakPolarHBondContact O-CD2 3.47Å; E651-Y653 PolarHBondContact O-N 3.28Å; E651-Y653 VanDerWaalsContact O-N 3.08Å
652G33Very low41Very low78 Ų78118.8 Ų118.880%0.80463%0.626SS**THydrogen-bonded Turntrans742.416300000116.6
653Y32.5Very low42.8Very low194 Ų194117.1 Ų117.176%0.76162%0.617SS**  trans-92.5113.6171.7-70.1-83.8000110.6E651 L655E651-Y653 VanDerWaalsContact O-CD2 3.23Å; E651-Y653 WeakPolarHBondContact O-CD2 3.47Å; E651-Y653 PolarHBondContact O-N 3.28Å; E651-Y653 VanDerWaalsContact O-N 3.08Å; Y653-L655 PolarHBondContact O-N 3.27Å
654K29.5Very low44.8Very low210 Ų210114.2 Ų114.291%0.91361%0.609SS**  trans-64.983.6165.7-95.6-177.9173.9177.10108.9
655L30.5Very low47.1Very low113 Ų113114.4 Ų114.459%0.59260%0.598SS**  trans-76.8125.2166.1-147.774.5000107.5Y653 C657Y653-L655 PolarHBondContact O-N 3.27Å; L655-C657 VanDerWaalsContact C-N 3.27Å; L655-C657 PolarHBondContact O-N 3.25Å
656F32Very low49.2Very low206 Ų206115.8 Ų115.890%0.90461%0.605SS**  trans-61.988.3174.2-76-98000109L658F656-L658 PolarHBondContact O-N 3.14Å
657C36.1Very low51.6Low78 Ų78114.6 Ų114.653%0.52759%0.588SS.*  trans-56.9125.7160.6-67.20000106.8C645 L655 Q659C645-C657 WeakPolarHBondContact CB-SG 3.36Å; L655-C657 VanDerWaalsContact C-N 3.27Å; L655-C657 PolarHBondContact O-N 3.25Å; C657-Q659 PolarHBondContact O-N 2.72Å; C657-Q659 VanDerWaalsContact O-N 3.12Å
658L39.7Very low53.9Low121 Ų121107.4 Ų107.463%0.63456%0.563SS**  trans-40.6121.1171.4-72.4156.5000108.7E640 F656E640-L658 WeakPolarHBondContact OE2-CD1 3.45Å; F656-L658 PolarHBondContact O-N 3.14Å
659Q46.9Very low56.3Low183 Ų183108.7 Ų108.786%0.85556%0.56SS**  trans-55.8146.1177.6-76.6173.3-3700109.4C657 V661C657-Q659 PolarHBondContact O-N 2.72Å; C657-Q659 VanDerWaalsContact O-N 3.12Å; Q659-V661 PolarHBondContact O-N 2.85Å
660D57.5Low58.4Low93 Ų93109.2 Ų109.250%0.49756%0.556SS.*  trans-38.7120177.3-63.6-41.1000111.2K637 E662K637-D660 HydrophobicContact CD-CB 4.46Å; K637-D660 IonicContact NZ-OD2 3.3Å; D660-E662 PolarHBondContact O-N 3.44Å
661V66.7Low60.4Low63 Ų63103.7 Ų103.738%0.38253%0.528SS..EExtended strand (participates in β ladder)trans-74.5126.8174.7175.70000107.6A638 E640 Q659 L663A638-V661 WeakPolarHBondContact CA-O 3.35Å; A638-V661 HydrophobicContact CB-CB 4.37Å; A638-V661 WeakPolarHBondContact CB-O 3.3Å; A638-V661 PolarHBondContact N-O 3.02Å; A638-V661 PolarHBondContact O-N 2.76Å; E640-V661 HydrophobicContact CG-CG2 4.47Å; Q659-V661 PolarHBondContact O-N 2.85Å; V661-L663 HydrophobicContact CG1-CD2 4.26Å; V661-L663 HydrophobicContact CG1-CG 4.44Å
662E79.8Confident62Low103 Ų103102.2 Ų102.248%0.48152%0.524SS..EExtended strand (participates in β ladder)trans-100.2135176.1-67.7-171.1155.700110.3F635 K637 D660F635-E662 HydrophobicContact CB-CB 4.19Å; F635-E662 HydrophobicContact CD1-CB 3.97Å; F635-E662 HydrophobicContact CG-CB 4.42Å; K637-E662 VanDerWaalsContact CE-OE1 3.23Å; K637-E662 WeakPolarHBondContact CE-OE1 3.34Å; K637-E662 HydrophobicContact CG-CG 4.17Å; D660-E662 PolarHBondContact O-N 3.44Å
663L80.2Confident63.6Low50 Ų50106 Ų10626%0.26251%0.514SS..EExtended strand (participates in β ladder)trans-124.3138.3-177.4-61.5166.9000109.9F635 A636 A638 V661 V721 A785 I787F635-L663 CarbonylContact C-O 3.29Å; F635-L663 WeakPolarHBondContact CA-O 3.21Å; A636-L663 PolarHBondContact N-O 3Å; A636-L663 PolarHBondContact O-N 2.74Å; A638-L663 HydrophobicContact CB-CD1 3.69Å; A638-L663 HydrophobicContact CB-CG 4.28Å; V661-L663 HydrophobicContact CG1-CD2 4.26Å; V661-L663 HydrophobicContact CG1-CG 4.44Å; L663-V721 HydrophobicContact CD1-CB 3.87Å; L663-V721 HydrophobicContact CD1-CG1 3.56Å; L663-V721 HydrophobicContact CD1-CG2 4.06Å; L663-A785 HydrophobicContact CD1-CB 4.25Å; L663-I787 HydrophobicContact CB-CD1 3.42Å; L663-I787 VanDerWaalsContact CB-CD1 3.42Å; L663-I787 HydrophobicContact CB-CG1 4.41Å; L663-I787 HydrophobicContact CD1-CD1 4.02Å; L663-I787 HydrophobicContact CG-CD1 4.32Å
664A83Confident64.7Low30 Ų30105.7 Ų105.725%0.24852%0.52CS..  trans-137.9148.7172.900000110.1L633 F635L633-A664 HydrophobicContact CB-CB 3.99Å; L633-A664 HydrophobicContact CD2-CB 3.97Å; L633-A664 HydrophobicContact CG-CB 4.37Å; F635-A664 HydrophobicContact CD1-CB 3.74Å; F635-A664 HydrophobicContact CE1-CB 3.83Å; F635-A664 HydrophobicContact CG-CB 4.22Å; F635-A664 HydrophobicContact CZ-CB 4.37Å
665W84.1Confident65.5Low112 Ų112100.1 Ų100.142%0.42451%0.507SS..  trans-86.2134.2168.4-164.6-87.8000109.8L633 D667 H716 V719 I787L633-W665 WeakPolarHBondContact CD2-O 3.37Å; W665-D667 PolarHBondContact NE1-OD1 2.75Å; W665-D667 PolarHBondContact NE1-OD2 2.87Å; W665-H716 AromaticContact CD1-CD2 3.73Å; W665-H716 AromaticContact CD1-NE2 3.98Å; W665-H716 AromaticContact CE2-CD2 3.77Å; W665-H716 AromaticContact CE2-CG 3.82Å; W665-H716 AromaticContact CG-NE2 3.97Å; W665-H716 HydrophobicContact CH2-CB 4.24Å; W665-H716 HydrophobicContact CZ2-CB 3.73Å; W665-H716 AromaticContact NE1-CD2 3.58Å; W665-V719 HydrophobicContact CZ3-CG2 4.23Å; W665-I787 HydrophobicContact CB-CG2 3.52Å; W665-I787 HydrophobicContact CD2-CG2 4.46Å; W665-I787 HydrophobicContact CE3-CG2 3.96Å; W665-I787 HydrophobicContact CG-CG2 4.35Å
666V82.9Confident65.8Low60 Ų6097.3 Ų97.336%0.36451%0.506SS..  trans-120.9119.5178.5-1760000108.3L625 I629 L633 A668L625-V666 HydrophobicContact CD2-CG1 4.48Å; I629-V666 HydrophobicContact CG2-CG1 3.87Å; L633-V666 HydrophobicContact CD1-CG2 4.01Å; L633-V666 HydrophobicContact CD2-CB 4.12Å; L633-V666 HydrophobicContact CD2-CG1 4.49Å; L633-V666 HydrophobicContact CD2-CG2 3.36Å; L633-V666 HydrophobicContact CG-CG2 4.32Å; V666-A668 HydrophobicContact CG1-CB 3.92Å
667D83.3Confident65.8Low46 Ų4694 Ų9425%0.24650%0.502CS..  trans-107.5112.4166-62-65000108.4W665 L708 I713W665-D667 PolarHBondContact NE1-OD1 2.75Å; W665-D667 PolarHBondContact NE1-OD2 2.87Å; D667-L708 HydrophobicContact CB-CD1 4.07Å; D667-I713 HydrophobicContact CB-CG2 4.03Å; D667-I713 WeakPolarHBondContact OD2-CG2 3.38Å
668A83.6Confident65.6Low30 Ų3095.8 Ų95.825%0.24851%0.514CS..EExtended strand (participates in β ladder)trans-149.3161.2-17300000112.6I629 V666 L705 D706I629-A668 HydrophobicContact CD1-CB 3.56Å; V666-A668 HydrophobicContact CG1-CB 3.92Å; A668-L705 HydrophobicContact CB-CB 3.84Å; A668-L705 HydrophobicContact CB-CD1 4.35Å; A668-L705 HydrophobicContact CB-CD2 3.97Å; A668-L705 HydrophobicContact CB-CG 4.25Å; A668-D706 WeakPolarHBondContact CA-O 3.23Å; A668-D706 WeakPolarHBondContact CB-O 3.35Å
669R83.9Confident65.1Low134 Ų13498.1 Ų98.151%0.50652%0.522SS..EExtended strand (participates in β ladder)trans-108.1134.8173.7-169.5-179.3-62.5-173.72.5109.7V671 L705 D706 L708 E712R669-V671 PolarHBondContact O-N 3.26Å; R669-L705 WeakPolarHBondContact O-CA 3.19Å; R669-D706 PolarHBondContact N-O 3.48Å; R669-D706 PolarHBondContact O-N 3.2Å; R669-L708 HydrophobicContact CB-CD2 3.89Å; R669-E712 IonicContact CZ-OE2 3.22Å; R669-E712 VanDerWaalsContact NH2-CD 3.32Å; R669-E712 IonicContact NH2-OE1 2.76Å; R669-E712 PolarHBondContact NH2-OE1 2.79Å; R669-E712 IonicContact NH2-OE2 2.72Å; R669-E712 PolarHBondContact NH2-OE2 2.96Å
670V81.1Confident64.3Low85 Ų8596.4 Ų96.452%0.51552%0.518SS..EExtended strand (participates in β ladder)trans-73.5121.9171.1-1780000108.8V623 L705V623-V670 HydrophobicContact CG1-CG1 4.42Å; V623-V670 HydrophobicContact CG2-CG2 4.47Å; V670-L705 HydrophobicContact CG2-CD2 3.75Å
671V79.7Confident63.1Low39 Ų39101.2 Ų101.224%0.23654%0.535CS..EExtended strand (participates in β ladder)trans-118.8134.4176-175.70000108.8R669 T703 Y704 D706R669-V671 PolarHBondContact O-N 3.26Å; V671-T703 WeakPolarHBondContact O-CA 3.33Å; V671-Y704 HydrophobicContact CB-CD1 4.44Å; V671-Y704 HydrophobicContact CB-CE1 3.92Å; V671-Y704 HydrophobicContact CB-CE2 4.07Å; V671-Y704 HydrophobicContact CG1-CE1 3.85Å; V671-Y704 HydrophobicContact CG1-CE2 4.46Å; V671-Y704 WeakPolarHBondContact CG1-OH 3.48Å; V671-Y704 PolarHBondContact N-O 2.9Å; V671-Y704 PolarHBondContact O-N 3.4Å; V671-D706 HydrophobicContact CG2-CB 3.7Å
672I76.9Confident61.1Low118 Ų118105.4 Ų105.461%0.60556%0.561SS**EExtended strand (participates in β ladder)trans-104121.6175.4-48.2-175000107.1E674 N702 T703I672-E674 PolarHBondContact O-N 2.7Å; I672-N702 WeakPolarHBondContact CA-O 3.47Å; I672-T703 HydrophobicContact CG1-CG2 4.1Å; I672-T703 HydrophobicContact CG2-CG2 4.47Å
673R65.8Low58.9Low158 Ų158105.5 Ų105.560%0.59657%0.569SS**PPolyproline II helixtrans-68.8117.8168.8-68.4-168.1174177.5-2.4109S675 N702 Y704R673-S675 PolarHBondContact O-N 3.43Å; R673-N702 HydrophobicContact CB-CB 4.15Å; R673-N702 PolarHBondContact N-O 2.92Å; R673-N702 PolarHBondContact O-ND2 2.83Å; R673-Y704 HydrophobicContact CG-CD1 4.1Å; R673-Y704 HydrophobicContact CG-CE1 3.56Å
674E55.5Low56.7Low188 Ų188109 Ų10988%0.87960%0.595SS**PPolyproline II helixtrans-64.3131.3161.6-67.4-177171.500107.8I672 G676I672-E674 PolarHBondContact O-N 2.7Å; E674-G676 VanDerWaalsContact C-N 3.29Å; E674-G676 PolarHBondContact O-N 3.19Å
675S45.9Very low54.4Low92 Ų92116.5 Ų116.564%0.64362%0.624SS**  trans-59.984-175.7-52.70000112R673R673-S675 PolarHBondContact O-N 3.43Å
676G36.8Very low52Low55 Ų55115.3 Ų115.357%0.56763%0.631SS**  trans-74.6130159.100000108.4E674 C678E674-G676 VanDerWaalsContact C-N 3.29Å; E674-G676 PolarHBondContact O-N 3.19Å; G676-C678 PolarHBondContact O-N 3.41Å
677V32Very low49.9Very low136 Ų136116.4 Ų116.482%0.82464%0.641SS**  trans-54.8100.6175.1-178.30000108.7E679V677-E679 HydrophobicContact CG1-CG 4.41Å; V677-E679 PolarHBondContact O-N 2.87Å; V677-E679 VanDerWaalsContact O-N 3.09Å
678C32.2Very low47.9Very low116 Ų116120.3 Ų120.378%0.78467%0.667SS**  trans-76.593.3169.6-67.70000107.9G676 D680G676-C678 PolarHBondContact O-N 3.41Å; C678-D680 VanDerWaalsContact C-N 3.27Å; C678-D680 PolarHBondContact O-N 3.21Å
679E30.4Very low45.6Very low169 Ų169129 Ų12979%0.7969%0.693SS**  trans-65.587.3158.7-69.3-178.4164.700107.9V677V677-E679 HydrophobicContact CG1-CG 4.41Å; V677-E679 PolarHBondContact O-N 2.87Å; V677-E679 VanDerWaalsContact O-N 3.09Å
680D29.8Very low43.6Very low147 Ų147125.8 Ų125.879%0.78669%0.686SS**  trans-17361.3160.5-92.2-25.9000110.1C678C678-D680 VanDerWaalsContact C-N 3.27Å; C678-D680 PolarHBondContact O-N 3.21Å
681F32Very low41.5Very low194 Ų194127.9 Ų127.985%0.85169%0.69SS**  trans-158.787.8152.9-88.8-71.3000107.9V683F681-V683 VanDerWaalsContact C-N 3.32Å; F681-V683 PolarHBondContact O-N 3.33Å
682T24.8Very low39.6Very low151 Ų151129.9 Ų129.993%0.92671%0.706SS**  trans-67.591.9164.742.10000108.9
683V33.1Very low37.9Very low106 Ų106127.1 Ų127.164%0.64269%0.692SS**  trans-111138.2161.2-177.90000107F681 E685F681-V683 VanDerWaalsContact C-N 3.32Å; F681-V683 PolarHBondContact O-N 3.33Å; V683-E685 PolarHBondContact O-N 2.95Å
684P34.3Very low36.7Very low124 Ų124126.9 Ų126.981%0.80570%0.695SS**SBendtrans-62133.8-167.1-18.930.7000113
685E34Very low35.7Very low187 Ų187123.4 Ų123.487%0.87468%0.68SS**  trans17.2104.3171.1-67.5-173.3168.100118V683V683-E685 PolarHBondContact O-N 2.95Å
686P34.2Very low35.4Very low87 Ų87124.2 Ų124.257%0.56568%0.677SS**  trans-80.1125.1175.830-29.7000111.5N690P686-N690 HydrophobicContact CB-CB 4.34Å
687S38.1Very low35.6Very low83 Ų83125.3 Ų125.358%0.5866%0.664SS**  trans-63.5140.4158.972.80000109.7R689 N690S687-R689 PolarHBondContact O-N 3.3Å; S687-N690 PolarHBondContact O-N 2.75Å
688V41.5Very low35.9Very low128 Ų128120.4 Ų120.478%0.77664%0.638SS**THydrogen-bonded Turntrans-47.9-12.5-171.4-179.40000115.7
689R35.8Very low36.3Very low211 Ų211119.5 Ų119.580%0.79663%0.629SS**THydrogen-bonded Turntrans-80.5-18.7176.6-75.6-178.9179.6174.1-0.3114.9S687S687-R689 PolarHBondContact O-N 3.3Å
690N41.3Very low37.1Very low67 Ų67113.7 Ų113.736%0.35861%0.61SS.*Hα-helixtrans-77.1-18.7-176.6-77.8-7.6000114.1P686 S687 K694P686-N690 HydrophobicContact CB-CB 4.34Å; S687-N690 PolarHBondContact O-N 2.75Å; N690-K694 PolarHBondContact O-N 2.74Å
691E37Very low38.1Very low130 Ų130111.1 Ų111.161%0.60760%0.596SS**Hα-helixtrans-72.9-38.8-179.7-72.6-176.5159.300112.8L693 K694 M695E691-L693 VanDerWaalsContact C-N 3.35Å; E691-L693 PolarHBondContact O-N 2.87Å; E691-K694 PolarHBondContact O-N 3.19Å; E691-M695 WeakPolarHBondContact O-CG 3.28Å; E691-M695 PolarHBondContact O-N 3.12Å
692S40.7Very low39.6Very low81 Ų81103.7 Ų103.757%0.56657%0.565SS**Hα-helixtrans-66-36.8-179.3-51.80000112.8M695 L696S692-M695 PolarHBondContact O-N 2.8Å; S692-L696 PolarHBondContact O-N 3.08Å
693L41.2Very low41.8Very low59 Ų5997.6 Ų97.631%0.30953%0.528SS..Hα-helixtrans-71.3-42.7175.7-85.8152.2000111.2E691 M695 L696 Y697E691-L693 VanDerWaalsContact C-N 3.35Å; E691-L693 PolarHBondContact O-N 2.87Å; L693-M695 VanDerWaalsContact C-N 3.25Å; L693-M695 PolarHBondContact O-N 2.86Å; L693-L696 PolarHBondContact O-N 3.45Å; L693-Y697 HydrophobicContact CD2-CE2 4.23Å; L693-Y697 VanDerWaalsContact O-CD2 3.3Å; L693-Y697 WeakPolarHBondContact O-CD2 3.45Å; L693-Y697 PolarHBondContact O-N 3.49Å
694K40.1Very low43.9Very low154 Ų15495.4 Ų95.467%0.6751%0.509SS*.Hα-helixtrans-57.8-38.8172.1-80.2-175.5176.4-176.40112N690 E691 A698N690-K694 PolarHBondContact O-N 2.74Å; E691-K694 PolarHBondContact O-N 3.19Å; K694-A698 WeakPolarHBondContact O-CB 3.44Å; K694-A698 PolarHBondContact O-N 3.32Å
695M34.4Very low46.1Very low115 Ų11591.1 Ų91.157%0.56748%0.479SS*.Hα-helixtrans-67.9-37.2-179.5-78-65.3-62.100113.9E691 S692 L693E691-M695 WeakPolarHBondContact O-CG 3.28Å; E691-M695 PolarHBondContact O-N 3.12Å; S692-M695 PolarHBondContact O-N 2.8Å; L693-M695 VanDerWaalsContact C-N 3.25Å; L693-M695 PolarHBondContact O-N 2.86Å
696L39.3Very low48.3Very low109 Ų10985.2 Ų85.257%0.57145%0.453SS*.Hα-helixtrans-69.8-33.7177.9-96.6147000112.8S692 L693 T699S692-L696 PolarHBondContact O-N 3.08Å; L693-L696 PolarHBondContact O-N 3.45Å; L696-T699 PolarHBondContact O-OG1 3.45Å
697Y41.3Very low50.4Low78 Ų7884 Ų8431%0.30644%0.444SS..Hα-helixtrans-86.7-29.7176.7-71.3-74.1000113.4E8 W51 L693 T699 A700 D701E8-Y697 PolarHBondContact OE2-OH 3.31Å; W51-Y697 AromaticContact CH2-CE1 3.83Å; W51-Y697 HydrophobicContact CH2-CE1 3.83Å; W51-Y697 HydrophobicContact CH2-CE2 4.17Å; W51-Y697 AromaticContact CH2-CZ 3.41Å; W51-Y697 VanDerWaalsContact CH2-CZ 3.41Å; W51-Y697 WeakPolarHBondContact CH2-OH 3.42Å; W51-Y697 HydrophobicContact CZ2-CE1 4.43Å; W51-Y697 HydrophobicContact CZ2-CE2 4.02Å; W51-Y697 AromaticContact CZ2-CZ 3.56Å; W51-Y697 WeakPolarHBondContact CZ2-OH 3.28Å; L693-Y697 HydrophobicContact CD2-CE2 4.23Å; L693-Y697 VanDerWaalsContact O-CD2 3.3Å; L693-Y697 WeakPolarHBondContact O-CD2 3.45Å; L693-Y697 PolarHBondContact O-N 3.49Å; Y697-T699 VanDerWaalsContact C-N 3.3Å; Y697-T699 PolarHBondContact O-N 3.23Å; Y697-A700 PolarHBondContact O-N 3.06Å; Y697-D701 PolarHBondContact O-N 3.24Å
698A38.2Very low52.3Low33 Ų3381.2 Ų81.227%0.27342%0.422SS..Hα-helixtrans-65.7-28.1178.800000113.7K694 A700 D701 N702K694-A698 WeakPolarHBondContact O-CB 3.44Å; K694-A698 PolarHBondContact O-N 3.32Å; A698-A700 VanDerWaalsContact C-N 3.34Å; A698-A700 PolarHBondContact O-N 3.39Å; A698-D701 PolarHBondContact O-N 3.12Å; A698-N702 VanDerWaalsContact O-CG 3.31Å; A698-N702 PolarHBondContact O-N 3.28Å
699T41.2Very low53.9Low97 Ų9782 Ų8260%0.59542%0.417SS*.Hα-helixtrans-69.5-29.3-177.946.90000113.8L696 Y697L696-T699 PolarHBondContact O-OG1 3.45Å; Y697-T699 VanDerWaalsContact C-N 3.3Å; Y697-T699 PolarHBondContact O-N 3.23Å
700A46.9Very low55.6Low46 Ų4677.3 Ų77.338%0.3841%0.414SS..Hα-helixtrans-84.1-27.9175.300000112.2Y697 A698 T703Y697-A700 PolarHBondContact O-N 3.06Å; A698-A700 VanDerWaalsContact C-N 3.34Å; A698-A700 PolarHBondContact O-N 3.39Å; A700-T703 PolarHBondContact O-OG1 2.77Å
701D51.1Low57.3Low93 Ų9378 Ų7850%0.49744%0.437SS..Hα-helixtrans-79.2-14.9-177.8-96.1-9.4000114.5K624 Y697 A698K624-D701 WeakPolarHBondContact CE-OD1 3.2Å; K624-D701 IonicContact NZ-OD1 3.79Å; K624-D701 PolarHBondContact NZ-OD1 3.04Å; K624-D701 IonicContact NZ-OD2 3.51Å; Y697-D701 PolarHBondContact O-N 3.24Å; A698-D701 PolarHBondContact O-N 3.12Å
702N64.3Low59.4Low39 Ų3976.5 Ų76.521%0.20943%0.43CS..THydrogen-bonded Turntrans-88.6-0.4-175.2-78.8-3.7000114.9I672 R673 A698I672-N702 WeakPolarHBondContact CA-O 3.47Å; R673-N702 HydrophobicContact CB-CB 4.15Å; R673-N702 PolarHBondContact N-O 2.92Å; R673-N702 PolarHBondContact O-ND2 2.83Å; A698-N702 VanDerWaalsContact O-CG 3.31Å; A698-N702 PolarHBondContact O-N 3.28Å
703T70Confident61.1Low23 Ų2376 Ų7614%0.14142%0.421CS..EExtended strand (participates in β ladder)trans-96.2116.7178.155.90000110.8Q622 K624 V671 I672 A700Q622-T703 PolarHBondContact O-OG1 3.23Å; Q622-T703 VanDerWaalsContact O-OG1 3.09Å; K624-T703 PolarHBondContact N-O 2.85Å; V671-T703 WeakPolarHBondContact O-CA 3.33Å; I672-T703 HydrophobicContact CG1-CG2 4.1Å; I672-T703 HydrophobicContact CG2-CG2 4.47Å; A700-T703 PolarHBondContact O-OG1 2.77Å
704Y77.8Confident62.9Low60 Ų6076.8 Ų76.824%0.23543%0.429CS..EExtended strand (participates in β ladder)trans-127.6152.7175.766.8-81.1000111.5V623 K624 V671 R673 D706V623-Y704 VanDerWaalsContact CG1-C 3.47Å; K624-Y704 CarbonylContact O-C 3.58Å; K624-Y704 WeakPolarHBondContact O-CA 3.47Å; V671-Y704 HydrophobicContact CB-CD1 4.44Å; V671-Y704 HydrophobicContact CB-CE1 3.92Å; V671-Y704 HydrophobicContact CB-CE2 4.07Å; V671-Y704 HydrophobicContact CG1-CE1 3.85Å; V671-Y704 HydrophobicContact CG1-CE2 4.46Å; V671-Y704 WeakPolarHBondContact CG1-OH 3.48Å; V671-Y704 PolarHBondContact N-O 2.9Å; V671-Y704 PolarHBondContact O-N 3.4Å; R673-Y704 HydrophobicContact CG-CD1 4.1Å; R673-Y704 HydrophobicContact CG-CE1 3.56Å; Y704-D706 HydrophobicContact CD2-CB 4.28Å; Y704-D706 HydrophobicContact CE2-CB 3.86Å
705L80Confident64.8Low34 Ų3475.8 Ų75.818%0.17844%0.438CS..EExtended strand (participates in β ladder)trans-81.9125.1168-71.3178.5000108V623 K624 L625 S626 I629 A668 R669 V670V623-L705 HydrophobicContact CB-CG 4.25Å; V623-L705 HydrophobicContact CG1-CB 4.44Å; V623-L705 HydrophobicContact CG1-CD2 3.97Å; V623-L705 HydrophobicContact CG1-CG 3.65Å; K624-L705 PolarHBondContact O-N 2.67Å; L625-L705 HydrophobicContact CD2-CB 4.33Å; L625-L705 HydrophobicContact CD2-CD1 3.62Å; S626-L705 VanDerWaalsContact CB-O 3.3Å; S626-L705 WeakPolarHBondContact CB-O 3.44Å; S626-L705 PolarHBondContact OG-O 2.87Å; I629-L705 HydrophobicContact CD1-CB 3.39Å; I629-L705 WeakPolarHBondContact CD1-O 3.43Å; A668-L705 HydrophobicContact CB-CB 3.84Å; A668-L705 HydrophobicContact CB-CD1 4.35Å; A668-L705 HydrophobicContact CB-CD2 3.97Å; A668-L705 HydrophobicContact CB-CG 4.25Å; R669-L705 WeakPolarHBondContact O-CA 3.19Å; V670-L705 HydrophobicContact CG2-CD2 3.75Å
706D79.8Confident66.9Low63 Ų6373.8 Ų73.834%0.33743%0.428SS..EExtended strand (participates in β ladder)trans-104.5147.9172.9-159.56.2000111.2A668 R669 V671 Y704 L708A668-D706 WeakPolarHBondContact CA-O 3.23Å; A668-D706 WeakPolarHBondContact CB-O 3.35Å; R669-D706 PolarHBondContact N-O 3.48Å; R669-D706 PolarHBondContact O-N 3.2Å; V671-D706 HydrophobicContact CG2-CB 3.7Å; Y704-D706 HydrophobicContact CD2-CB 4.28Å; Y704-D706 HydrophobicContact CE2-CB 3.86Å; D706-L708 PolarHBondContact O-N 3.33Å
707V79.1Confident69Low60 Ų6077.5 Ų77.536%0.36444%0.439SS..EExtended strand (participates in β ladder)trans-66.4127.4-178.5-177.10000108.4I629I629-V707 HydrophobicContact CB-CG2 4.29Å; I629-V707 HydrophobicContact CG1-CB 4.26Å; I629-V707 HydrophobicContact CG1-CG2 3.39Å
708L78.3Confident70.9Confident26 Ų2677.8 Ų77.814%0.13645%0.449CS..PPolyproline II helixtrans-68.8142.3170.6-72171000110.3D667 R669 D706 I713D667-L708 HydrophobicContact CB-CD1 4.07Å; R669-L708 HydrophobicContact CB-CD2 3.89Å; D706-L708 PolarHBondContact O-N 3.33Å; L708-I713 HydrophobicContact CB-CG1 4.02Å
709H75.3Confident73Confident143 Ų14379 Ų7966%0.66245%0.453SS*.PPolyproline II helixtrans-59143170.9-89.3-68.1000110G711 E712H709-G711 PolarHBondContact O-N 3.37Å; H709-E712 HydrophobicContact CB-CG 4.39Å; H709-E712 PolarHBondContact O-N 3.32Å
710P70.6Confident74.9Confident113 Ų11379 Ų7973%0.73445%0.445SS*.THydrogen-bonded Turntrans-54.4-24.8-175.7-27.633.5000115.3
711G77.8Confident76.3Confident82 Ų8279 Ų7985%0.84544%0.44SS*.THydrogen-bonded Turntrans-80.9-13.6176.300000115.2H709H709-G711 PolarHBondContact O-N 3.37Å
712E79.4Confident77.5Confident98 Ų9876.3 Ų76.346%0.45843%0.425SS..THydrogen-bonded Turntrans-98.4-9.9179.7-62.8-174.9165.600113.1R669 H709 P714R669-E712 IonicContact CZ-OE2 3.22Å; R669-E712 VanDerWaalsContact NH2-CD 3.32Å; R669-E712 IonicContact NH2-OE1 2.76Å; R669-E712 PolarHBondContact NH2-OE1 2.79Å; R669-E712 IonicContact NH2-OE2 2.72Å; R669-E712 PolarHBondContact NH2-OE2 2.96Å; H709-E712 HydrophobicContact CB-CG 4.39Å; H709-E712 PolarHBondContact O-N 3.32Å; E712-P714 VanDerWaalsContact O-CD 3.28Å; E712-P714 WeakPolarHBondContact O-CD 3.23Å
713I78Confident78Confident72 Ų7280.6 Ų80.637%0.36944%0.444SS..  trans-71.9115.5-177.5-58.9173.6000109D667 L708D667-I713 HydrophobicContact CB-CG2 4.03Å; D667-I713 WeakPolarHBondContact OD2-CG2 3.38Å; L708-I713 HydrophobicContact CB-CG1 4.02Å
714P78.7Confident78.4Confident75 Ų7580.3 Ų80.349%0.48744%0.443SS..PPolyproline II helixtrans-69141.1177.228.6-32.5000110.2E712 H716E712-P714 VanDerWaalsContact O-CD 3.28Å; E712-P714 WeakPolarHBondContact O-CD 3.23Å; P714-H716 PolarHBondContact O-N 2.83Å
715P79.5Confident78.6Confident133 Ų13382.8 Ų82.886%0.86446%0.455SS*.PPolyproline II helixtrans-66.7127.1172.627.5-32.9000109.9
716H79.2Confident78.9Confident73 Ų7382.4 Ų82.434%0.33845%0.453SS..PPolyproline II helixtrans-101.5158.9173.769.678.4000111.5W665 P714 I787W665-H716 AromaticContact CD1-CD2 3.73Å; W665-H716 AromaticContact CD1-NE2 3.98Å; W665-H716 AromaticContact CE2-CD2 3.77Å; W665-H716 AromaticContact CE2-CG 3.82Å; W665-H716 AromaticContact CG-NE2 3.97Å; W665-H716 HydrophobicContact CH2-CB 4.24Å; W665-H716 HydrophobicContact CZ2-CB 3.73Å; W665-H716 AromaticContact NE1-CD2 3.58Å; P714-H716 PolarHBondContact O-N 2.83Å; H716-I787 PolarHBondContact CE1-OXT 3.05Å
717K81.8Confident79.1Confident187 Ų18782.3 Ų82.381%0.81346%0.457SS*.PPolyproline II helixtrans-74.5142.2171.2-69.1-179.4-179.7176.70108.9V719K717-V719 PolarHBondContact O-N 2.9Å
718T82.7Confident79.4Confident83 Ų8380.7 Ų80.751%0.50945%0.446SS..PPolyproline II helixtrans-62.3124.8172.3-52.90000110.1F720 I786 I787T718-F720 HydrophobicContact CG2-CE2 4.1Å; T718-F720 HydrophobicContact CG2-CZ 4.22Å; T718-I786 HydrophobicContact CG2-CG2 3.26Å; T718-I787 CarbonylContact C-O 3.59Å; T718-I787 WeakPolarHBondContact CA-O 3.13Å
719V82.3Confident79.9Confident59 Ų5979.4 Ų79.436%0.35844%0.44SS..PPolyproline II helixtrans-103.8124.6179.3-179.50000109W665 K717 V721 I787W665-V719 HydrophobicContact CZ3-CG2 4.23Å; K717-V719 PolarHBondContact O-N 2.9Å; V719-V721 HydrophobicContact CG1-CG2 3.89Å; V719-I787 PolarHBondContact N-O 3.01Å; V719-I787 PolarHBondContact O-N 2.95Å
720F81.4Confident80.4Confident97 Ų9775.6 Ų75.643%0.42542%0.421SS..EExtended strand (participates in β ladder)trans-94.6111.1172.9-66.5-91.1000108.8T718 Y781 F784 I786T718-F720 HydrophobicContact CG2-CE2 4.1Å; T718-F720 HydrophobicContact CG2-CZ 4.22Å; F720-Y781 AromaticContact CE1-CD1 3.76Å; F720-Y781 HydrophobicContact CE1-CD1 3.76Å; F720-Y781 AromaticContact CE1-CE1 3.55Å; F720-Y781 HydrophobicContact CE1-CE1 3.55Å; F720-Y781 AromaticContact CZ-CE1 3.96Å; F720-Y781 HydrophobicContact CZ-CE1 3.96Å; F720-F784 HydrophobicContact CB-CD1 3.89Å; F720-F784 HydrophobicContact CB-CE1 4.34Å; F720-F784 HydrophobicContact CB-CG 4.34Å; F720-F784 HydrophobicContact CD1-CB 3.96Å; F720-F784 HydrophobicContact CD1-CD1 4.36Å; F720-F784 HydrophobicContact CD1-CD2 4.33Å; F720-F784 AromaticContact CD1-CG 3.98Å; F720-F784 HydrophobicContact CD1-CG 3.98Å; F720-I786 HydrophobicContact CD1-CD1 4.18Å; F720-I786 HydrophobicContact CD1-CG1 3.8Å; F720-I786 HydrophobicContact CE1-CD1 3.68Å; F720-I786 HydrophobicContact CE1-CG1 3.77Å; F720-I786 HydrophobicContact CE1-CG2 4.24Å
721V75.6Confident81.2Confident46 Ų4676 Ų7628%0.27941%0.413SS..EExtended strand (participates in β ladder)trans-99.8141.2175.6-171.60000109.1L663 V719 F784 A785 I787L663-V721 HydrophobicContact CD1-CB 3.87Å; L663-V721 HydrophobicContact CD1-CG1 3.56Å; L663-V721 HydrophobicContact CD1-CG2 4.06Å; V719-V721 HydrophobicContact CG1-CG2 3.89Å; V721-F784 WeakPolarHBondContact O-CA 3.21Å; V721-A785 HydrophobicContact CB-CB 4.2Å; V721-A785 PolarHBondContact N-O 3.11Å; V721-A785 PolarHBondContact O-N 2.85Å; V721-I787 HydrophobicContact CG2-CD1 4.06Å
722N75.7Confident81.6Confident36 Ų3673.7 Ų73.719%0.19338%0.381CS..  trans95.6147-167-51.7-26.1000114.2K639 Q783 F784K639-N722 PolarHBondContact N-ND2 3.5Å; K639-N722 PolarHBondContact O-OD1 3.37Å; N722-Q783 PolarHBondContact ND2-O 3.25Å; N722-F784 WeakPolarHBondContact O-CD1 3.36Å; N722-F784 WeakPolarHBondContact O-CE1 3.44Å
723E75.4Confident82.2Confident129 Ų12969 Ų6960%0.60336%0.359SS*.  trans-116.491.6168.9-76.9-161-153.200110.9K725 K757E723-K725 PolarHBondContact O-N 3.48Å; E723-K757 IonicContact OE2-NZ 2.7Å; E723-K757 PolarHBondContact OE2-NZ 2.98Å
724P77.7Confident82.7Confident17 Ų1770.9 Ų70.911%0.1137%0.368CS..  trans-67.4122.717726.6-32000110.5L729 Q783 F784P724-L729 HydrophobicContact CB-CD1 4.18Å; P724-L729 HydrophobicContact CB-CD2 4.16Å; P724-L729 HydrophobicContact CB-CG 4.09Å; P724-L729 HydrophobicContact CG-CD1 4.43Å; P724-Q783 HydrophobicContact CB-CB 4.13Å; P724-Q783 HydrophobicContact CG-CB 4.42Å; P724-F784 HydrophobicContact CG-CE1 3.85Å; P724-F784 HydrophobicContact CG-CE2 3.75Å; P724-F784 HydrophobicContact CG-CZ 3.37Å
725K83.3Confident83Confident112 Ų11274.4 Ų74.449%0.48738%0.382SS..  trans-70.3139.6171-63-175.7179.6-179.40109.7E723 S727 N728 L729E723-K725 PolarHBondContact O-N 3.48Å; K725-S727 PolarHBondContact O-N 3.24Å; K725-S727 VanDerWaalsContact O-N 3.14Å; K725-N728 WeakPolarHBondContact O-CB 3.32Å; K725-N728 PolarHBondContact O-N 2.9Å; K725-L729 PolarHBondContact O-N 3.01Å; K725-L729 VanDerWaalsContact O-N 3.12Å
726L85.2Confident83.5Confident27 Ų2772.4 Ų72.414%0.14136%0.364CS..Hα-helixtrans-55.4-33.1176.3-68.3174.7000112.2N728 L729 K730 F742 L747 L755 K757 L763L726-N728 VanDerWaalsContact C-N 3.32Å; L726-N728 PolarHBondContact O-N 2.88Å; L726-L729 HydrophobicContact CD2-CD1 4.37Å; L726-L729 PolarHBondContact O-N 3.03Å; L726-K730 PolarHBondContact O-N 3.28Å; L726-F742 HydrophobicContact CB-CE1 3.79Å; L726-F742 HydrophobicContact CB-CZ 3.77Å; L726-F742 HydrophobicContact CD1-CE1 4.31Å; L726-L747 HydrophobicContact CD2-CB 4.44Å; L726-L755 HydrophobicContact CD2-CB 4.3Å; L726-K757 HydrophobicContact CD1-CB 4.32Å; L726-L763 HydrophobicContact CD2-CD1 3.58Å
727S85.3Confident83.9Confident60 Ų6072.2 Ų72.242%0.4238%0.382SS..Hα-helixtrans-60.6-3917554.20000113.1K725 Q731K725-S727 PolarHBondContact O-N 3.24Å; K725-S727 VanDerWaalsContact O-N 3.14Å; S727-Q731 PolarHBondContact O-N 3.39Å
728N84.6Confident84.4Confident26 Ų2665 Ų6514%0.13935%0.351CS..Hα-helixtrans-74-43.2179.8-52-8.2000109.6H643 K725 L726 K730 Q731 I732H643-N728 PolarHBondContact CE1-OD1 2.98Å; H643-N728 PolarHBondContact NE2-ND2 3.18Å; H643-N728 PolarHBondContact NE2-OD1 2.99Å; K725-N728 WeakPolarHBondContact O-CB 3.32Å; K725-N728 PolarHBondContact O-N 2.9Å; L726-N728 VanDerWaalsContact C-N 3.32Å; L726-N728 PolarHBondContact O-N 2.88Å; N728-K730 VanDerWaalsContact C-N 3.28Å; N728-K730 PolarHBondContact O-N 3.36Å; N728-Q731 PolarHBondContact O-N 2.86Å; N728-Q731 VanDerWaalsContact O-N 3.13Å; N728-I732 WeakPolarHBondContact O-CD1 3.47Å; N728-I732 VanDerWaalsContact O-CG1 3.29Å; N728-I732 WeakPolarHBondContact O-CG1 2.98Å; N728-I732 PolarHBondContact O-N 3.24Å
729L87.9Confident84.7Confident0 Ų067.5 Ų67.50%036%0.357CS..Hα-helixtrans-57.9-42.9175.8-70.5175.9000110.8P724 K725 L726 Q731 I732 F733 L747 L763 I780 Q783P724-L729 HydrophobicContact CB-CD1 4.18Å; P724-L729 HydrophobicContact CB-CD2 4.16Å; P724-L729 HydrophobicContact CB-CG 4.09Å; P724-L729 HydrophobicContact CG-CD1 4.43Å; K725-L729 PolarHBondContact O-N 3.01Å; K725-L729 VanDerWaalsContact O-N 3.12Å; L726-L729 HydrophobicContact CD2-CD1 4.37Å; L726-L729 PolarHBondContact O-N 3.03Å; L729-Q731 PolarHBondContact O-N 3.08Å; L729-I732 PolarHBondContact O-N 2.9Å; L729-I732 VanDerWaalsContact O-N 3.16Å; L729-F733 VanDerWaalsContact C-CD2 3.47Å; L729-F733 HydrophobicContact CB-CD2 4.25Å; L729-F733 HydrophobicContact CB-CE2 3.67Å; L729-F733 HydrophobicContact CB-CZ 4.3Å; L729-F733 HydrophobicContact CD2-CZ 4.37Å; L729-F733 WeakPolarHBondContact O-CD2 3.34Å; L729-F733 VanDerWaalsContact O-CG 3.24Å; L729-F733 WeakPolarHBondContact O-CG 3.15Å; L729-F733 PolarHBondContact O-N 3.14Å; L729-L747 HydrophobicContact CB-CD2 4.16Å; L729-L763 HydrophobicContact CD1-CD1 4.37Å; L729-L763 HydrophobicContact CD1-CD2 4.07Å; L729-I780 HydrophobicContact CD2-CG1 4.44Å; L729-Q783 HydrophobicContact CD2-CG 3.74Å
730K87Confident85.1Confident63 Ų6365 Ų6527%0.27434%0.341SS..Hα-helixtrans-53-50.4173.1-179.5178.4170.21730112L726 N728 I732 F733 M734 A740 F742 L747L726-K730 PolarHBondContact O-N 3.28Å; N728-K730 VanDerWaalsContact C-N 3.28Å; N728-K730 PolarHBondContact O-N 3.36Å; K730-I732 VanDerWaalsContact C-N 3.35Å; K730-I732 PolarHBondContact O-N 2.95Å; K730-F733 PolarHBondContact O-N 3.44Å; K730-M734 HydrophobicContact CG-SD 4.09Å; K730-M734 VanDerWaalsContact O-CG 3.32Å; K730-M734 WeakPolarHBondContact O-CG 3.42Å; K730-M734 PolarHBondContact O-N 3.12Å; K730-A740 WeakPolarHBondContact CE-O 3.45Å; K730-A740 HydrophobicContact CG-CB 4.05Å; K730-F742 HydrophobicContact CB-CE2 4.2Å; K730-F742 HydrophobicContact CD-CD2 3.79Å; K730-F742 HydrophobicContact CD-CE2 3.61Å; K730-F742 HydrophobicContact CG-CE2 4.48Å; K730-L747 HydrophobicContact CB-CD1 3.75Å; K730-L747 HydrophobicContact CB-CD2 4.14Å; K730-L747 HydrophobicContact CD-CD1 4.21Å; K730-L747 HydrophobicContact CG-CD1 3.95Å
731Q87Confident85.6Confident120 Ų12065.9 Ų65.956%0.56135%0.347SS*.Hα-helixtrans-62.1-42.3178.8-70.6177.1-22.500111.9S727 N728 L729 F733 M734 L735S727-Q731 PolarHBondContact O-N 3.39Å; N728-Q731 PolarHBondContact O-N 2.86Å; N728-Q731 VanDerWaalsContact O-N 3.13Å; L729-Q731 PolarHBondContact O-N 3.08Å; Q731-F733 PolarHBondContact O-N 3.3Å; Q731-M734 PolarHBondContact O-N 3.39Å; Q731-L735 WeakPolarHBondContact O-CB 3.34Å; Q731-L735 VanDerWaalsContact O-CG 3.32Å; Q731-L735 WeakPolarHBondContact O-CG 3.49Å; Q731-L735 PolarHBondContact O-N 2.91Å
732I86.5Confident86.4Confident34 Ų3468 Ų6817%0.17435%0.353CS..Hα-helixtrans-62.9-42.9178.4-67.2162000111N728 L729 K730 L735 N736 Q783N728-I732 WeakPolarHBondContact O-CD1 3.47Å; N728-I732 VanDerWaalsContact O-CG1 3.29Å; N728-I732 WeakPolarHBondContact O-CG1 2.98Å; N728-I732 PolarHBondContact O-N 3.24Å; L729-I732 PolarHBondContact O-N 2.9Å; L729-I732 VanDerWaalsContact O-N 3.16Å; K730-I732 VanDerWaalsContact C-N 3.35Å; K730-I732 PolarHBondContact O-N 2.95Å; I732-L735 PolarHBondContact O-N 3.13Å; I732-N736 PolarHBondContact O-N 2.94Å; I732-N736 VanDerWaalsContact O-N 3.13Å; I732-N736 PolarHBondContact O-ND2 3.44Å; I732-Q783 VanDerWaalsContact CD1-CD 3.48Å; I732-Q783 HydrophobicContact CD1-CG 4.07Å
733F90.8Very high87.1Confident0 Ų070 Ų700%036%0.362CS..Hα-helixtrans-66.3-44.1177.2-64-46.1000111.8L729 K730 Q731 L735 N736 G737 F738 A740 L747 I749 L755 V776 L779 I780L729-F733 VanDerWaalsContact C-CD2 3.47Å; L729-F733 HydrophobicContact CB-CD2 4.25Å; L729-F733 HydrophobicContact CB-CE2 3.67Å; L729-F733 HydrophobicContact CB-CZ 4.3Å; L729-F733 HydrophobicContact CD2-CZ 4.37Å; L729-F733 WeakPolarHBondContact O-CD2 3.34Å; L729-F733 VanDerWaalsContact O-CG 3.24Å; L729-F733 WeakPolarHBondContact O-CG 3.15Å; L729-F733 PolarHBondContact O-N 3.14Å; K730-F733 PolarHBondContact O-N 3.44Å; Q731-F733 PolarHBondContact O-N 3.3Å; F733-L735 VanDerWaalsContact C-N 3.33Å; F733-L735 PolarHBondContact O-N 3.43Å; F733-N736 CarbonylContact O-C 3.5Å; F733-N736 PolarHBondContact O-N 3.35Å; F733-N736 VanDerWaalsContact O-N 3.11Å; F733-G737 PolarHBondContact O-N 3.29Å; F733-F738 HydrophobicContact CB-CB 4.08Å; F733-F738 WeakPolarHBondContact O-CB 3.44Å; F733-F738 WeakPolarHBondContact O-CD2 3.29Å; F733-F738 PolarHBondContact O-N 2.79Å; F733-A740 HydrophobicContact CB-CB 4.02Å; F733-L747 HydrophobicContact CD2-CD2 3.96Å; F733-L747 HydrophobicContact CE2-CD2 3.92Å; F733-I749 HydrophobicContact CD1-CD1 4.35Å; F733-I749 HydrophobicContact CD2-CD1 3.49Å; F733-I749 VanDerWaalsContact CD2-CD1 3.49Å; F733-I749 HydrophobicContact CD2-CG1 4.09Å; F733-I749 HydrophobicContact CE1-CD1 4.29Å; F733-I749 HydrophobicContact CE2-CD1 3.42Å; F733-I749 VanDerWaalsContact CE2-CD1 3.42Å; F733-I749 HydrophobicContact CE2-CG1 4.42Å; F733-I749 HydrophobicContact CG-CD1 4Å; F733-I749 HydrophobicContact CZ-CD1 3.85Å; F733-L755 HydrophobicContact CE2-CD1 3.48Å; F733-L755 VanDerWaalsContact CE2-CD1 3.48Å; F733-L755 HydrophobicContact CZ-CD1 3.8Å; F733-V776 HydrophobicContact CE1-CB 4.33Å; F733-V776 HydrophobicContact CE1-CG1 3.76Å; F733-V776 HydrophobicContact CE1-CG2 4.41Å; F733-V776 HydrophobicContact CZ-CG1 3.77Å; F733-L779 HydrophobicContact CD1-CB 4.39Å; F733-L779 HydrophobicContact CD1-CD1 3.88Å; F733-L779 HydrophobicContact CE1-CB 3.87Å; F733-L779 HydrophobicContact CE1-CD1 4.16Å; F733-I780 HydrophobicContact CE1-CG1 4.31Å; F733-I780 HydrophobicContact CZ-CD1 4.12Å; F733-I780 HydrophobicContact CZ-CG1 3.69Å
734M88.4Confident87.6Confident111 Ų11171.5 Ų71.555%0.54738%0.375SS..Hα-helixtrans-60.5-41.2175.7-70.8179.571.700112.3K730 Q731 N736 G737 F738 A740K730-M734 HydrophobicContact CG-SD 4.09Å; K730-M734 VanDerWaalsContact O-CG 3.32Å; K730-M734 WeakPolarHBondContact O-CG 3.42Å; K730-M734 PolarHBondContact O-N 3.12Å; Q731-M734 PolarHBondContact O-N 3.39Å; M734-N736 VanDerWaalsContact C-N 3.27Å; M734-N736 PolarHBondContact O-N 2.81Å; M734-G737 PolarHBondContact O-N 3.03Å; M734-G737 VanDerWaalsContact O-N 3.1Å; M734-F738 WeakPolarHBondContact CA-O 3.43Å; M734-A740 HydrophobicContact CG-CB 4.28Å
735L86.3Confident87.8Confident149 Ų14973.4 Ų73.478%0.7840%0.397SS*.Hα-helixtrans-63.9-30.8175.4-77.3166.1000113.1Q731 I732 F733 G737Q731-L735 WeakPolarHBondContact O-CB 3.34Å; Q731-L735 VanDerWaalsContact O-CG 3.32Å; Q731-L735 WeakPolarHBondContact O-CG 3.49Å; Q731-L735 PolarHBondContact O-N 2.91Å; I732-L735 PolarHBondContact O-N 3.13Å; F733-L735 VanDerWaalsContact C-N 3.33Å; F733-L735 PolarHBondContact O-N 3.43Å; L735-G737 VanDerWaalsContact C-N 3.27Å; L735-G737 PolarHBondContact O-N 3.31Å
736N88.6Confident88.1Confident91 Ų9170.8 Ų70.849%0.48739%0.389SS..THydrogen-bonded Turntrans-8913.4175.5-73.9-89.9000112.9I732 F733 M734 F738 L779I732-N736 PolarHBondContact O-N 2.94Å; I732-N736 VanDerWaalsContact O-N 3.13Å; I732-N736 PolarHBondContact O-ND2 3.44Å; F733-N736 CarbonylContact O-C 3.5Å; F733-N736 PolarHBondContact O-N 3.35Å; F733-N736 VanDerWaalsContact O-N 3.11Å; M734-N736 VanDerWaalsContact C-N 3.27Å; M734-N736 PolarHBondContact O-N 2.81Å; N736-F738 HydrophobicContact CB-CD2 3.89Å; N736-F738 HydrophobicContact CB-CE2 3.87Å; N736-L779 HydrophobicContact CB-CD1 3.9Å
737G88.7Confident88.4Confident70 Ų7069.5 Ų69.572%0.72238%0.382SS*.THydrogen-bonded Turntrans82.811.1174.100000115.6F733 M734 L735F733-G737 PolarHBondContact O-N 3.29Å; M734-G737 PolarHBondContact O-N 3.03Å; M734-G737 VanDerWaalsContact O-N 3.1Å; L735-G737 VanDerWaalsContact C-N 3.27Å; L735-G737 PolarHBondContact O-N 3.31Å
738F91Very high88.7Confident35 Ų3568.2 Ų68.215%0.15437%0.37CS..  trans-88.5139.4174.1-59.5-85.3000111F733 M734 N736 A740 I749 T772 A775 V776 L779F733-F738 HydrophobicContact CB-CB 4.08Å; F733-F738 WeakPolarHBondContact O-CB 3.44Å; F733-F738 WeakPolarHBondContact O-CD2 3.29Å; F733-F738 PolarHBondContact O-N 2.79Å; M734-F738 WeakPolarHBondContact CA-O 3.43Å; N736-F738 HydrophobicContact CB-CD2 3.89Å; N736-F738 HydrophobicContact CB-CE2 3.87Å; F738-A740 PolarHBondContact O-N 3.46Å; F738-I749 HydrophobicContact CB-CG2 3.78Å; F738-I749 HydrophobicContact CD1-CG2 4.16Å; F738-I749 HydrophobicContact CG-CG2 4.22Å; F738-T772 HydrophobicContact CD1-CG2 4.01Å; F738-T772 HydrophobicContact CE1-CG2 3.79Å; F738-A775 HydrophobicContact CE1-CB 4.48Å; F738-A775 HydrophobicContact CZ-CB 3.87Å; F738-V776 HydrophobicContact CD1-CG2 4.27Å; F738-V776 HydrophobicContact CE1-CG2 4.18Å; F738-V776 HydrophobicContact CZ-CG2 4.49Å; F738-L779 HydrophobicContact CD2-CD1 4.15Å; F738-L779 HydrophobicContact CE2-CD1 3.61Å
739Q90.5Very high89.1Confident136 Ų13667 Ų6764%0.63636%0.364SS*.  trans-74.8119.8167.5-68.5-177.2-18.800108.4I749 N750Q739-I749 CarbonylContact O-C 3.57Å; Q739-I749 VanDerWaalsContact O-CA 3.23Å; Q739-I749 WeakPolarHBondContact O-CA 3.3Å; Q739-N750 PolarHBondContact N-OD1 3.13Å; Q739-N750 PolarHBondContact O-N 2.93Å
740A91Very high89.2Confident5 Ų569.9 Ų69.94%0.04138%0.379CS..EExtended strand (participates in β ladder)trans-131.2119-178.500000110.5K730 F733 M734 F738 L747 I748 I749K730-A740 WeakPolarHBondContact CE-O 3.45Å; K730-A740 HydrophobicContact CG-CB 4.05Å; F733-A740 HydrophobicContact CB-CB 4.02Å; M734-A740 HydrophobicContact CG-CB 4.28Å; F738-A740 PolarHBondContact O-N 3.46Å; A740-L747 HydrophobicContact CB-CD1 4.1Å; A740-I748 CarbonylContact C-O 3.32Å; A740-I748 WeakPolarHBondContact CA-O 3.44Å; A740-I749 HydrophobicContact CB-CG1 4.29Å
741E92Very high89.2Confident117 Ų11773.1 Ų73.155%0.54740%0.4SS..EExtended strand (participates in β ladder)trans-132.3150.4-176.1-66.1-172.6173.400111.4I748E741-I748 PolarHBondContact N-O 3.41Å; E741-I748 PolarHBondContact O-N 3.08Å
742F91.9Very high89.2Confident89 Ų8969.6 Ų69.639%0.3939%0.391SS..EExtended strand (participates in β ladder)trans-92.4121.1175.3-80.1-75.2000109.7L726 K730 N746 L747L726-F742 HydrophobicContact CB-CE1 3.79Å; L726-F742 HydrophobicContact CB-CZ 3.77Å; L726-F742 HydrophobicContact CD1-CE1 4.31Å; K730-F742 HydrophobicContact CB-CE2 4.2Å; K730-F742 HydrophobicContact CD-CD2 3.79Å; K730-F742 HydrophobicContact CD-CE2 3.61Å; K730-F742 HydrophobicContact CG-CE2 4.48Å; F742-N746 CarbonylContact C-O 3.51Å; F742-N746 WeakPolarHBondContact CA-O 3.48Å; F742-L747 HydrophobicContact CD1-CB 4.23Å; F742-L747 HydrophobicContact CD1-CD1 4.37Å; F742-L747 HydrophobicContact CD2-CD1 4.36Å; F742-L747 HydrophobicContact CE1-CB 3.91Å; F742-L747 HydrophobicContact CE1-CD1 4.21Å; F742-L747 HydrophobicContact CE2-CD1 4.18Å; F742-L747 HydrophobicContact CG-CD1 4.44Å; F742-L747 HydrophobicContact CZ-CB 4.47Å; F742-L747 HydrophobicContact CZ-CD1 4.11Å
743I89.4Confident89.4Confident78 Ų7868.1 Ų68.140%0.438%0.383SS..EExtended strand (participates in β ladder)trans-127.9120.7176-55.6-178.5000107.6G745 N746 I748I743-G745 PolarHBondContact O-N 3.21Å; I743-N746 PolarHBondContact N-O 3.22Å; I743-N746 PolarHBondContact O-N 3.47Å; I743-I748 HydrophobicContact CB-CG1 3.97Å; I743-I748 HydrophobicContact CD1-CB 4.38Å; I743-I748 HydrophobicContact CD1-CG1 4.03Å; I743-I748 HydrophobicContact CG1-CG1 4.08Å
744N85.7Confident89.4Confident161 Ų16169.3 Ų69.386%0.86139%0.393SS*.THydrogen-bonded Turntrans51.237.3-179.3-61.7-27.8000114.3N746N744-N746 VanDerWaalsContact C-N 3.26Å; N744-N746 PolarHBondContact O-N 2.98Å
745G83.7Confident89.6Confident57 Ų5764 Ų6459%0.58837%0.367SS*.THydrogen-bonded Turntrans82.6-8.3-178.900000115.3I743I743-G745 PolarHBondContact O-N 3.21Å
746N88.9Confident89.8Confident58 Ų5861 Ų6131%0.3135%0.345SS..EExtended strand (participates in β ladder)trans-94.8145.4175.3-61.1-31.3000110.6F742 I743 N744 I748 L755 R756F742-N746 CarbonylContact C-O 3.51Å; F742-N746 WeakPolarHBondContact CA-O 3.48Å; I743-N746 PolarHBondContact N-O 3.22Å; I743-N746 PolarHBondContact O-N 3.47Å; N744-N746 VanDerWaalsContact C-N 3.26Å; N744-N746 PolarHBondContact O-N 2.98Å; N746-I748 HydrophobicContact CB-CD1 4.18Å; N746-L755 WeakPolarHBondContact CA-O 3.32Å; N746-R756 VanDerWaalsContact OD1-CB 3.24Å; N746-R756 WeakPolarHBondContact OD1-CB 3.43Å
747L91.3Very high89.7Confident0 Ų060.6 Ų60.60%034%0.34CS..EExtended strand (participates in β ladder)trans-90.4109.1173.5-179.965.6000109L726 L729 K730 F733 A740 F742 L755L726-L747 HydrophobicContact CD2-CB 4.44Å; L729-L747 HydrophobicContact CB-CD2 4.16Å; K730-L747 HydrophobicContact CB-CD1 3.75Å; K730-L747 HydrophobicContact CB-CD2 4.14Å; K730-L747 HydrophobicContact CD-CD1 4.21Å; K730-L747 HydrophobicContact CG-CD1 3.95Å; F733-L747 HydrophobicContact CD2-CD2 3.96Å; F733-L747 HydrophobicContact CE2-CD2 3.92Å; A740-L747 HydrophobicContact CB-CD1 4.1Å; F742-L747 HydrophobicContact CD1-CB 4.23Å; F742-L747 HydrophobicContact CD1-CD1 4.37Å; F742-L747 HydrophobicContact CD2-CD1 4.36Å; F742-L747 HydrophobicContact CE1-CB 3.91Å; F742-L747 HydrophobicContact CE1-CD1 4.21Å; F742-L747 HydrophobicContact CE2-CD1 4.18Å; F742-L747 HydrophobicContact CG-CD1 4.44Å; F742-L747 HydrophobicContact CZ-CB 4.47Å; F742-L747 HydrophobicContact CZ-CD1 4.11Å; L747-L755 HydrophobicContact CB-CB 4.14Å; L747-L755 HydrophobicContact CD2-CD1 4.18Å; L747-L755 PolarHBondContact N-O 3.16Å; L747-L755 PolarHBondContact O-N 2.92Å
748I91.9Very high89.5Confident32 Ų3260.5 Ų60.516%0.16432%0.323CS..EExtended strand (participates in β ladder)trans-95.6129.3-180-53.2-55.5000109.4A740 E741 I743 N746 I753 A754A740-I748 CarbonylContact C-O 3.32Å; A740-I748 WeakPolarHBondContact CA-O 3.44Å; E741-I748 PolarHBondContact N-O 3.41Å; E741-I748 PolarHBondContact O-N 3.08Å; I743-I748 HydrophobicContact CB-CG1 3.97Å; I743-I748 HydrophobicContact CD1-CB 4.38Å; I743-I748 HydrophobicContact CD1-CG1 4.03Å; I743-I748 HydrophobicContact CG1-CG1 4.08Å; N746-I748 HydrophobicContact CB-CD1 4.18Å; I748-I753 CarbonylContact C-O 3.58Å; I748-I753 VanDerWaalsContact CA-O 3.3Å; I748-I753 WeakPolarHBondContact CA-O 3.29Å; I748-A754 HydrophobicContact CD1-CB 3.52Å
749I91.7Very high88.8Confident0 Ų068.8 Ų68.80%036%0.362CS..EExtended strand (participates in β ladder)trans-117.4125.8-177.6-54.9163.9000109.8F733 F738 Q739 A740 N751 A752 I753 L755 V776F733-I749 HydrophobicContact CD1-CD1 4.35Å; F733-I749 HydrophobicContact CD2-CD1 3.49Å; F733-I749 VanDerWaalsContact CD2-CD1 3.49Å; F733-I749 HydrophobicContact CD2-CG1 4.09Å; F733-I749 HydrophobicContact CE1-CD1 4.29Å; F733-I749 HydrophobicContact CE2-CD1 3.42Å; F733-I749 VanDerWaalsContact CE2-CD1 3.42Å; F733-I749 HydrophobicContact CE2-CG1 4.42Å; F733-I749 HydrophobicContact CG-CD1 4Å; F733-I749 HydrophobicContact CZ-CD1 3.85Å; F738-I749 HydrophobicContact CB-CG2 3.78Å; F738-I749 HydrophobicContact CD1-CG2 4.16Å; F738-I749 HydrophobicContact CG-CG2 4.22Å; Q739-I749 CarbonylContact O-C 3.57Å; Q739-I749 VanDerWaalsContact O-CA 3.23Å; Q739-I749 WeakPolarHBondContact O-CA 3.3Å; A740-I749 HydrophobicContact CB-CG1 4.29Å; I749-N751 PolarHBondContact O-N 2.82Å; I749-A752 PolarHBondContact O-N 3.46Å; I749-I753 HydrophobicContact CB-CB 4.29Å; I749-I753 PolarHBondContact N-O 3.36Å; I749-I753 PolarHBondContact O-N 3.49Å; I749-I753 VanDerWaalsContact O-N 3.11Å; I749-L755 HydrophobicContact CD1-CD1 3.5Å; I749-L755 VanDerWaalsContact CD1-CD1 3.5Å; I749-L755 HydrophobicContact CD1-CG 4.33Å; I749-V776 HydrophobicContact CD1-CB 4.49Å; I749-V776 HydrophobicContact CD1-CG1 3.54Å; I749-V776 HydrophobicContact CD1-CG2 4.05Å; I749-V776 HydrophobicContact CG2-CG2 3.96Å
750N90.4Very high88.2Confident61 Ų6166.3 Ų66.333%0.32636%0.364SS..THydrogen-bonded Turntrans4732.6-178-71.1-0.5000113.7Q739 A752 T772Q739-N750 PolarHBondContact N-OD1 3.13Å; Q739-N750 PolarHBondContact O-N 2.93Å; N750-A752 PolarHBondContact O-N 2.86Å; N750-T772 HydrophobicContact CB-CG2 4.39Å
751N87.1Confident87.5Confident132 Ų13267.4 Ų67.471%0.70638%0.376SS*.THydrogen-bonded Turntrans51.918.2-174.2-67.9-12.8000115.5I749I749-N751 PolarHBondContact O-N 2.82Å
752A86.7Confident87Confident46 Ų4666.8 Ų66.838%0.3838%0.377SS..THydrogen-bonded Turntrans-125-24.7-17300000113.6I749 N750 G767I749-A752 PolarHBondContact O-N 3.46Å; N750-A752 PolarHBondContact O-N 2.86Å; A752-G767 WeakPolarHBondContact O-CA 3.48Å
753I91.3Very high86.7Confident2 Ų265 Ų651%0.0137%0.371CS..EExtended strand (participates in β ladder)trans-126.1132.3-174.9-59.3159.6000108.6I748 I749 M765 E766 T772 Y773 V776I748-I753 CarbonylContact C-O 3.58Å; I748-I753 VanDerWaalsContact CA-O 3.3Å; I748-I753 WeakPolarHBondContact CA-O 3.29Å; I749-I753 HydrophobicContact CB-CB 4.29Å; I749-I753 PolarHBondContact N-O 3.36Å; I749-I753 PolarHBondContact O-N 3.49Å; I749-I753 VanDerWaalsContact O-N 3.11Å; I753-M765 HydrophobicContact CD1-CE 4.12Å; I753-M765 HydrophobicContact CG1-CE 4.37Å; I753-M765 HydrophobicContact CG2-CE 3.5Å; I753-M765 HydrophobicContact CG2-CG 3.84Å; I753-M765 HydrophobicContact CG2-SD 4.44Å; I753-E766 CarbonylContact C-O 3.53Å; I753-E766 WeakPolarHBondContact CA-O 3.24Å; I753-T772 HydrophobicContact CD1-CG2 3.8Å; I753-Y773 HydrophobicContact CG1-CD2 4.33Å; I753-V776 HydrophobicContact CD1-CB 4.15Å; I753-V776 HydrophobicContact CD1-CG2 3.85Å; I753-V776 HydrophobicContact CG2-CG1 4.48Å
754A91.5Very high86.7Confident26 Ų2662.8 Ų62.822%0.21536%0.362CS..EExtended strand (participates in β ladder)trans-111.8127.5173.500000110.4I748 M765 E766I748-A754 HydrophobicContact CD1-CB 3.52Å; A754-M765 WeakPolarHBondContact O-CA 3.15Å; A754-E766 PolarHBondContact N-O 2.98Å; A754-E766 PolarHBondContact O-N 3.36Å
755L92.2Very high87Confident0 Ų056.7 Ų56.70%033%0.329CS..EExtended strand (participates in β ladder)trans-107.5126.1170.2-73.2165.8000109.8L726 F733 N746 L747 I749 L763 C764 M765 V776 I780L726-L755 HydrophobicContact CD2-CB 4.3Å; F733-L755 HydrophobicContact CE2-CD1 3.48Å; F733-L755 VanDerWaalsContact CE2-CD1 3.48Å; F733-L755 HydrophobicContact CZ-CD1 3.8Å; N746-L755 WeakPolarHBondContact CA-O 3.32Å; L747-L755 HydrophobicContact CB-CB 4.14Å; L747-L755 HydrophobicContact CD2-CD1 4.18Å; L747-L755 PolarHBondContact N-O 3.16Å; L747-L755 PolarHBondContact O-N 2.92Å; I749-L755 HydrophobicContact CD1-CD1 3.5Å; I749-L755 VanDerWaalsContact CD1-CD1 3.5Å; I749-L755 HydrophobicContact CD1-CG 4.33Å; L755-L763 HydrophobicContact CD2-CD2 4.28Å; L755-L763 HydrophobicContact CD2-CG 4.34Å; L755-C764 WeakPolarHBondContact CA-O 3.42Å; L755-M765 HydrophobicContact CD2-CB 3.61Å; L755-M765 HydrophobicContact CD2-CG 3.72Å; L755-M765 HydrophobicContact CD2-SD 4.4Å; L755-M765 HydrophobicContact CG-CG 4.5Å; L755-V776 HydrophobicContact CD1-CG1 4.42Å; L755-I780 HydrophobicContact CD1-CD1 3.92Å; L755-I780 HydrophobicContact CD2-CD1 3.5Å; L755-I780 VanDerWaalsContact CD2-CD1 3.5Å; L755-I780 HydrophobicContact CG-CD1 4.34Å
756R90.2Very high87.3Confident84 Ų8458.6 Ų58.632%0.31732%0.322SS..EExtended strand (participates in β ladder)trans-127.9147.6175.670.2176-175.1-128.7-9.7110.9N746 N758 C764 E766N746-R756 VanDerWaalsContact OD1-CB 3.24Å; N746-R756 WeakPolarHBondContact OD1-CB 3.43Å; R756-N758 PolarHBondContact NE-OD1 3.48Å; R756-C764 HydrophobicContact CG-CB 3.69Å; R756-C764 PolarHBondContact N-O 2.82Å; R756-C764 PolarHBondContact O-N 2.7Å; R756-E766 IonicContact CZ-OE1 2.82Å; R756-E766 IonicContact CZ-OE2 3.36Å; R756-E766 IonicContact NH1-OE1 3.02Å; R756-E766 PolarHBondContact NH1-OE1 2.88Å; R756-E766 IonicContact NH1-OE2 2.64Å; R756-E766 PolarHBondContact NH1-OE2 3.38Å; R756-E766 IonicContact NH2-OE1 3.84Å; R756-E766 PolarHBondContact NH2-OE1 3.17Å
757K87Confident87.3Confident84 Ų8457.8 Ų57.837%0.36533%0.327SS..EExtended strand (participates in β ladder)trans-104.4122.5169.2-163.6174.7-176.9-179.80107.4E723 L726 G761 N762E723-K757 IonicContact OE2-NZ 2.7Å; E723-K757 PolarHBondContact OE2-NZ 2.98Å; L726-K757 HydrophobicContact CD1-CB 4.32Å; K757-G761 VanDerWaalsContact CE-CA 3.5Å; K757-G761 WeakPolarHBondContact CE-O 3.32Å; K757-G761 WeakPolarHBondContact CG-O 3.24Å; K757-N762 WeakPolarHBondContact CA-O 3.5Å
758N83.6Confident87.1Confident68 Ų6862 Ų6236%0.36436%0.357SS..  trans-76.8168.7178-65.11.1000110.6R756 A760 G761 N762 C764R756-N758 PolarHBondContact NE-OD1 3.48Å; N758-A760 PolarHBondContact O-N 3.37Å; N758-G761 WeakPolarHBondContact O-CA 2.93Å; N758-G761 PolarHBondContact O-N 2.97Å; N758-N762 PolarHBondContact N-O 2.82Å; N758-C764 PolarHBondContact ND2-SG 3.02Å; N758-C764 PolarHBondContact OD1-SG 2.87Å
759E77.8Confident86.9Confident209 Ų20964.8 Ų64.898%0.97739%0.385SS*.THydrogen-bonded Turntrans-56.4-32.1177.8-64.9-178.7173.400113.4G761E759-G761 PolarHBondContact O-N 2.93Å
760A77.3Confident86.8Confident83 Ų8366.9 Ų66.969%0.68640%0.399SS*.THydrogen-bonded Turntrans-75.11.417500000114.2N758 N762N758-A760 PolarHBondContact O-N 3.37Å; A760-N762 VanDerWaalsContact C-N 3.32Å; A760-N762 PolarHBondContact O-N 3.37Å
761G75.1Confident86.7Confident28 Ų2868.8 Ų68.829%0.28942%0.417SS..SBendtrans84.1-3.4-178.100000115.6K757 N758 E759K757-G761 VanDerWaalsContact CE-CA 3.5Å; K757-G761 WeakPolarHBondContact CE-O 3.32Å; K757-G761 WeakPolarHBondContact CG-O 3.24Å; N758-G761 WeakPolarHBondContact O-CA 2.93Å; N758-G761 PolarHBondContact O-N 2.97Å; E759-G761 PolarHBondContact O-N 2.93Å
762N82.5Confident86.7Confident105 Ų10564.1 Ų64.156%0.56139%0.393SS*.  trans-71.9133.9-179.5-65.1-22.1000112.1K757 N758 A760K757-N762 WeakPolarHBondContact CA-O 3.5Å; N758-N762 PolarHBondContact N-O 2.82Å; A760-N762 VanDerWaalsContact C-N 3.32Å; A760-N762 PolarHBondContact O-N 3.37Å
763L86.5Confident87Confident51 Ų5164.4 Ų64.427%0.26739%0.385SS..EExtended strand (participates in β ladder)trans-83.6119.1174.9-166.377.1000110L726 L729 L755 I780L726-L763 HydrophobicContact CD2-CD1 3.58Å; L729-L763 HydrophobicContact CD1-CD1 4.37Å; L729-L763 HydrophobicContact CD1-CD2 4.07Å; L755-L763 HydrophobicContact CD2-CD2 4.28Å; L755-L763 HydrophobicContact CD2-CG 4.34Å; L763-I780 HydrophobicContact CD2-CD1 4.3Å; L763-I780 HydrophobicContact CD2-CG2 3.66Å
764C89Confident87Confident31 Ų3168.7 Ų68.721%0.20940%0.404CS..EExtended strand (participates in β ladder)trans-107.7134.3175.1-61.60000110.1L755 R756 N758L755-C764 WeakPolarHBondContact CA-O 3.42Å; R756-C764 HydrophobicContact CG-CB 3.69Å; R756-C764 PolarHBondContact N-O 2.82Å; R756-C764 PolarHBondContact O-N 2.7Å; N758-C764 PolarHBondContact ND2-SG 3.02Å; N758-C764 PolarHBondContact OD1-SG 2.87Å
765M90.6Very high86.9Confident34 Ų3469.2 Ų69.217%0.16741%0.408CS..EExtended strand (participates in β ladder)trans-118.7117.7178-175.5-178.2167.500109.8I753 A754 L755 Y773 V776 R777 I780I753-M765 HydrophobicContact CD1-CE 4.12Å; I753-M765 HydrophobicContact CG1-CE 4.37Å; I753-M765 HydrophobicContact CG2-CE 3.5Å; I753-M765 HydrophobicContact CG2-CG 3.84Å; I753-M765 HydrophobicContact CG2-SD 4.44Å; A754-M765 WeakPolarHBondContact O-CA 3.15Å; L755-M765 HydrophobicContact CD2-CB 3.61Å; L755-M765 HydrophobicContact CD2-CG 3.72Å; L755-M765 HydrophobicContact CD2-SD 4.4Å; L755-M765 HydrophobicContact CG-CG 4.5Å; M765-Y773 HydrophobicContact CE-CD1 4Å; M765-Y773 HydrophobicContact CE-CD2 3.27Å; M765-Y773 HydrophobicContact CE-CE1 4.1Å; M765-Y773 HydrophobicContact CE-CE2 3.4Å; M765-Y773 HydrophobicContact CE-CG 3.57Å; M765-Y773 WeakPolarHBondContact CE-O 3.43Å; M765-Y773 HydrophobicContact CG-CE2 3.88Å; M765-Y773 HydrophobicContact SD-CD2 4.45Å; M765-Y773 HydrophobicContact SD-CE1 4.47Å; M765-Y773 HydrophobicContact SD-CE2 4Å; M765-V776 HydrophobicContact CE-CB 3.94Å; M765-V776 HydrophobicContact CE-CG1 3.74Å; M765-V776 HydrophobicContact SD-CG1 4.21Å; M765-R777 HydrophobicContact CE-CB 4.44Å; M765-R777 HydrophobicContact SD-CB 4.1Å; M765-I780 HydrophobicContact SD-CD1 4.06Å
766E90.9Very high86.8Confident97 Ų9769.2 Ų69.245%0.45341%0.408SS..EExtended strand (participates in β ladder)trans-118.2137.6179-67.9179.1168.100109.6I753 A754 R756I753-E766 CarbonylContact C-O 3.53Å; I753-E766 WeakPolarHBondContact CA-O 3.24Å; A754-E766 PolarHBondContact N-O 2.98Å; A754-E766 PolarHBondContact O-N 3.36Å; R756-E766 IonicContact CZ-OE1 2.82Å; R756-E766 IonicContact CZ-OE2 3.36Å; R756-E766 IonicContact NH1-OE1 3.02Å; R756-E766 PolarHBondContact NH1-OE1 2.88Å; R756-E766 IonicContact NH1-OE2 2.64Å; R756-E766 PolarHBondContact NH1-OE2 3.38Å; R756-E766 IonicContact NH2-OE1 3.84Å; R756-E766 PolarHBondContact NH2-OE1 3.17Å
767G89.5Confident86.9Confident40 Ų4069.4 Ų69.441%0.41241%0.409SS..EExtended strand (participates in β ladder)trans168.1167.8179.300000112.2A752A752-G767 WeakPolarHBondContact O-CA 3.48Å
768S86.5Confident87Confident89 Ų8969 Ų6962%0.62241%0.41SS*.  trans-69.5141.6176.5-58.10000111.1C770 Y773S768-C770 PolarHBondContact O-N 2.91Å; S768-Y773 WeakPolarHBondContact O-CB 3.32Å
769A87.4Confident87.2Confident91 Ų9166.5 Ų66.575%0.75240%0.397SS*.SBendtrans-66.7101.4175.800000110.8
770C88.8Confident87.7Confident43 Ų4357.1 Ų57.129%0.29135%0.354SS..SBendtrans-143.5170.817966.30000110.9S768 T772 Y773 F774S768-C770 PolarHBondContact O-N 2.91Å; C770-T772 PolarHBondContact O-N 3.46Å; C770-Y773 WeakPolarHBondContact O-CB 3.39Å; C770-Y773 PolarHBondContact O-N 2.98Å; C770-Y773 PolarHBondContact SG-N 3.46Å; C770-F774 WeakPolarHBondContact O-CD2 3.49Å; C770-F774 PolarHBondContact O-N 2.99Å
771S88.9Confident88.2Confident102 Ų10257.9 Ų57.971%0.71334%0.339SS*.Hα-helixtrans-55.7-37.8177.3520000112.4Y773 F774 A775S771-Y773 PolarHBondContact O-N 3.28Å; S771-F774 PolarHBondContact O-N 3.44Å; S771-A775 PolarHBondContact O-N 3.1Å
772T87.4Confident88.6Confident34 Ų3463.8 Ų63.821%0.20936%0.357CS..Hα-helixtrans-61.1-40.8174.5-45.70000112.1F738 N750 I753 C770 A775 V776F738-T772 HydrophobicContact CD1-CG2 4.01Å; F738-T772 HydrophobicContact CE1-CG2 3.79Å; N750-T772 HydrophobicContact CB-CG2 4.39Å; I753-T772 HydrophobicContact CD1-CG2 3.8Å; C770-T772 PolarHBondContact O-N 3.46Å; T772-A775 PolarHBondContact O-N 3.27Å; T772-V776 HydrophobicContact CG2-CG2 4.48Å; T772-V776 WeakPolarHBondContact O-CB 3.21Å; T772-V776 VanDerWaalsContact O-CG2 3.31Å; T772-V776 WeakPolarHBondContact O-CG2 3.46Å; T772-V776 PolarHBondContact O-N 3.39Å
773Y92.4Very high88.7Confident51 Ų5160.3 Ų60.320%0.234%0.337CS..Hα-helixtrans-60.6-48.7178.7-177.2-82.6000110.8I753 M765 S768 C770 S771 V776 R777I753-Y773 HydrophobicContact CG1-CD2 4.33Å; M765-Y773 HydrophobicContact CE-CD1 4Å; M765-Y773 HydrophobicContact CE-CD2 3.27Å; M765-Y773 HydrophobicContact CE-CE1 4.1Å; M765-Y773 HydrophobicContact CE-CE2 3.4Å; M765-Y773 HydrophobicContact CE-CG 3.57Å; M765-Y773 WeakPolarHBondContact CE-O 3.43Å; M765-Y773 HydrophobicContact CG-CE2 3.88Å; M765-Y773 HydrophobicContact SD-CD2 4.45Å; M765-Y773 HydrophobicContact SD-CE1 4.47Å; M765-Y773 HydrophobicContact SD-CE2 4Å; S768-Y773 WeakPolarHBondContact O-CB 3.32Å; C770-Y773 WeakPolarHBondContact O-CB 3.39Å; C770-Y773 PolarHBondContact O-N 2.98Å; C770-Y773 PolarHBondContact SG-N 3.46Å; S771-Y773 PolarHBondContact O-N 3.28Å; Y773-V776 PolarHBondContact O-N 3.11Å; Y773-R777 WeakPolarHBondContact O-CB 3.44Å; Y773-R777 PolarHBondContact O-N 2.93Å
774F91.6Very high88.5Confident93 Ų9359.7 Ų59.741%0.40833%0.333SS..Hα-helixtrans-65.2-41.8179.1-63.6-64.6000112.4C770 S771 V776 R777 D778C770-F774 WeakPolarHBondContact O-CD2 3.49Å; C770-F774 PolarHBondContact O-N 2.99Å; S771-F774 PolarHBondContact O-N 3.44Å; F774-V776 PolarHBondContact O-N 3.5Å; F774-R777 PolarHBondContact O-N 3.42Å; F774-D778 PolarHBondContact O-N 2.89Å
775A90.4Very high88Confident37 Ų3758.3 Ų58.331%0.30632%0.324SS..Hα-helixtrans-63.1-41.5177.900000112.9F738 S771 T772 D778 L779F738-A775 HydrophobicContact CE1-CB 4.48Å; F738-A775 HydrophobicContact CZ-CB 3.87Å; S771-A775 PolarHBondContact O-N 3.1Å; T772-A775 PolarHBondContact O-N 3.27Å; A775-D778 PolarHBondContact O-N 2.79Å; A775-L779 WeakPolarHBondContact O-CG 3.4Å; A775-L779 PolarHBondContact O-N 2.83Å; A775-L779 VanDerWaalsContact O-N 3.08Å
776V90.1Very high87.5Confident0 Ų059.9 Ų59.90%033%0.332CS..Hα-helixtrans-64.8-45.2175167.30000110.8F733 F738 I749 I753 L755 M765 T772 Y773 F774 D778 L779 I780F733-V776 HydrophobicContact CE1-CB 4.33Å; F733-V776 HydrophobicContact CE1-CG1 3.76Å; F733-V776 HydrophobicContact CE1-CG2 4.41Å; F733-V776 HydrophobicContact CZ-CG1 3.77Å; F738-V776 HydrophobicContact CD1-CG2 4.27Å; F738-V776 HydrophobicContact CE1-CG2 4.18Å; F738-V776 HydrophobicContact CZ-CG2 4.49Å; I749-V776 HydrophobicContact CD1-CB 4.49Å; I749-V776 HydrophobicContact CD1-CG1 3.54Å; I749-V776 HydrophobicContact CD1-CG2 4.05Å; I749-V776 HydrophobicContact CG2-CG2 3.96Å; I753-V776 HydrophobicContact CD1-CB 4.15Å; I753-V776 HydrophobicContact CD1-CG2 3.85Å; I753-V776 HydrophobicContact CG2-CG1 4.48Å; L755-V776 HydrophobicContact CD1-CG1 4.42Å; M765-V776 HydrophobicContact CE-CB 3.94Å; M765-V776 HydrophobicContact CE-CG1 3.74Å; M765-V776 HydrophobicContact SD-CG1 4.21Å; T772-V776 HydrophobicContact CG2-CG2 4.48Å; T772-V776 WeakPolarHBondContact O-CB 3.21Å; T772-V776 VanDerWaalsContact O-CG2 3.31Å; T772-V776 WeakPolarHBondContact O-CG2 3.46Å; T772-V776 PolarHBondContact O-N 3.39Å; Y773-V776 PolarHBondContact O-N 3.11Å; F774-V776 PolarHBondContact O-N 3.5Å; V776-D778 VanDerWaalsContact C-N 3.31Å; V776-D778 PolarHBondContact O-N 3.42Å; V776-L779 PolarHBondContact O-N 2.78Å; V776-I780 HydrophobicContact CG1-CD1 3.91Å; V776-I780 VanDerWaalsContact O-CG1 3.3Å; V776-I780 WeakPolarHBondContact O-CG1 3.31Å; V776-I780 PolarHBondContact O-N 3.05Å
777R90.8Very high86.9Confident87 Ų8757.7 Ų57.733%0.32832%0.323SS..Hα-helixtrans-58.1-44.1176.7-174.2-170.267.5-1800.5111.6M765 Y773 F774 L779 I780 Y781M765-R777 HydrophobicContact CE-CB 4.44Å; M765-R777 HydrophobicContact SD-CB 4.1Å; Y773-R777 WeakPolarHBondContact O-CB 3.44Å; Y773-R777 PolarHBondContact O-N 2.93Å; F774-R777 PolarHBondContact O-N 3.42Å; R777-L779 VanDerWaalsContact C-N 3.34Å; R777-L779 PolarHBondContact O-N 2.95Å; R777-I780 WeakPolarHBondContact O-CB 3.39Å; R777-I780 PolarHBondContact O-N 2.78Å; R777-Y781 HydrophobicContact CG-CD2 3.89Å; R777-Y781 HydrophobicContact CG-CE2 3.5Å; R777-Y781 WeakPolarHBondContact O-CD2 3.3Å; R777-Y781 PolarHBondContact O-N 3.41Å
778D89.5Confident86.8Confident75 Ų7558.6 Ų58.640%0.40132%0.318SS..Hα-helixtrans-66.6-36.4179.6-64.6-12.2000111.7F774 A775 V776 Y781 K782F774-D778 PolarHBondContact O-N 2.89Å; A775-D778 PolarHBondContact O-N 2.79Å; V776-D778 VanDerWaalsContact C-N 3.31Å; V776-D778 PolarHBondContact O-N 3.42Å; D778-Y781 PolarHBondContact O-N 2.91Å; D778-K782 VanDerWaalsContact O-CG 3.29Å; D778-K782 WeakPolarHBondContact O-CG 3.23Å; D778-K782 PolarHBondContact O-N 3.48Å
779L87.9Confident86.8Confident17 Ų1756.9 Ų56.99%0.08930%0.302CS..Hα-helixtrans-66.2-35.4173-76.9174.8000113F733 N736 F738 A775 V776 R777 Q783F733-L779 HydrophobicContact CD1-CB 4.39Å; F733-L779 HydrophobicContact CD1-CD1 3.88Å; F733-L779 HydrophobicContact CE1-CB 3.87Å; F733-L779 HydrophobicContact CE1-CD1 4.16Å; N736-L779 HydrophobicContact CB-CD1 3.9Å; F738-L779 HydrophobicContact CD2-CD1 4.15Å; F738-L779 HydrophobicContact CE2-CD1 3.61Å; A775-L779 WeakPolarHBondContact O-CG 3.4Å; A775-L779 PolarHBondContact O-N 2.83Å; A775-L779 VanDerWaalsContact O-N 3.08Å; V776-L779 PolarHBondContact O-N 2.78Å; R777-L779 VanDerWaalsContact C-N 3.34Å; R777-L779 PolarHBondContact O-N 2.95Å; L779-Q783 PolarHBondContact O-NE2 2.98Å
780I88.4Confident86.8Confident12 Ų1255.1 Ų55.16%0.06228%0.277CS..Hα-helixtrans-66.5-49.3174.2-68.4166.3000109.9L729 F733 L755 L763 M765 V776 R777 K782 Q783 F784L729-I780 HydrophobicContact CD2-CG1 4.44Å; F733-I780 HydrophobicContact CE1-CG1 4.31Å; F733-I780 HydrophobicContact CZ-CD1 4.12Å; F733-I780 HydrophobicContact CZ-CG1 3.69Å; L755-I780 HydrophobicContact CD1-CD1 3.92Å; L755-I780 HydrophobicContact CD2-CD1 3.5Å; L755-I780 VanDerWaalsContact CD2-CD1 3.5Å; L755-I780 HydrophobicContact CG-CD1 4.34Å; L763-I780 HydrophobicContact CD2-CD1 4.3Å; L763-I780 HydrophobicContact CD2-CG2 3.66Å; M765-I780 HydrophobicContact SD-CD1 4.06Å; V776-I780 HydrophobicContact CG1-CD1 3.91Å; V776-I780 VanDerWaalsContact O-CG1 3.3Å; V776-I780 WeakPolarHBondContact O-CG1 3.31Å; V776-I780 PolarHBondContact O-N 3.05Å; R777-I780 WeakPolarHBondContact O-CB 3.39Å; R777-I780 PolarHBondContact O-N 2.78Å; I780-K782 VanDerWaalsContact C-N 3.25Å; I780-K782 PolarHBondContact O-N 3.47Å; I780-Q783 WeakPolarHBondContact O-CB 3.33Å; I780-Q783 PolarHBondContact O-N 3Å; I780-F784 HydrophobicContact CG2-CD2 4.24Å; I780-F784 HydrophobicContact CG2-CE2 3.7Å; I780-F784 WeakPolarHBondContact O-CD2 3.48Å
781Y87.6Confident86.7Confident99 Ų9955.8 Ų55.839%0.38828%0.276SS..Hα-helixtrans-60.4-35.2178.5-74.9-41.9000112.5F720 R777 D778 Q783 F784 I786F720-Y781 AromaticContact CE1-CD1 3.76Å; F720-Y781 HydrophobicContact CE1-CD1 3.76Å; F720-Y781 AromaticContact CE1-CE1 3.55Å; F720-Y781 HydrophobicContact CE1-CE1 3.55Å; F720-Y781 AromaticContact CZ-CE1 3.96Å; F720-Y781 HydrophobicContact CZ-CE1 3.96Å; R777-Y781 HydrophobicContact CG-CD2 3.89Å; R777-Y781 HydrophobicContact CG-CE2 3.5Å; R777-Y781 WeakPolarHBondContact O-CD2 3.3Å; R777-Y781 PolarHBondContact O-N 3.41Å; D778-Y781 PolarHBondContact O-N 2.91Å; Y781-Q783 PolarHBondContact O-N 3.41Å; Y781-Q783 VanDerWaalsContact O-N 3.08Å; Y781-F784 PolarHBondContact O-N 3.3Å; Y781-F784 VanDerWaalsContact O-O 3.11Å; Y781-I786 HydrophobicContact CD1-CD1 3.75Å; Y781-I786 HydrophobicContact CG-CD1 4.09Å
782K84.6Confident86.5Confident151 Ų15152.9 Ų52.966%0.65725%0.249SC*.THydrogen-bonded Turntrans-61.6-11.9171.4-75174.6-176.7-179.80114.8D778 I780D778-K782 VanDerWaalsContact O-CG 3.29Å; D778-K782 WeakPolarHBondContact O-CG 3.23Å; D778-K782 PolarHBondContact O-N 3.48Å; I780-K782 VanDerWaalsContact C-N 3.25Å; I780-K782 PolarHBondContact O-N 3.47Å
783Q83.2Confident86.5Confident32 Ų3254.1 Ų54.115%0.1525%0.252CS..THydrogen-bonded Turntrans-91.7-16.8173.8-55.5-43.8-57.300113.5N722 P724 L729 I732 L779 I780 Y781N722-Q783 PolarHBondContact ND2-O 3.25Å; P724-Q783 HydrophobicContact CB-CB 4.13Å; P724-Q783 HydrophobicContact CG-CB 4.42Å; L729-Q783 HydrophobicContact CD2-CG 3.74Å; I732-Q783 VanDerWaalsContact CD1-CD 3.48Å; I732-Q783 HydrophobicContact CD1-CG 4.07Å; L779-Q783 PolarHBondContact O-NE2 2.98Å; I780-Q783 WeakPolarHBondContact O-CB 3.33Å; I780-Q783 PolarHBondContact O-N 3Å; Y781-Q783 PolarHBondContact O-N 3.41Å; Y781-Q783 VanDerWaalsContact O-N 3.08Å
784F83.3Confident86.1Confident39 Ų3954.4 Ų54.417%0.17126%0.255CS..SBendtrans-97142176.9-66.9-80.8000109.9F720 V721 N722 P724 I780 Y781 I786F720-F784 HydrophobicContact CB-CD1 3.89Å; F720-F784 HydrophobicContact CB-CE1 4.34Å; F720-F784 HydrophobicContact CB-CG 4.34Å; F720-F784 HydrophobicContact CD1-CB 3.96Å; F720-F784 HydrophobicContact CD1-CD1 4.36Å; F720-F784 HydrophobicContact CD1-CD2 4.33Å; F720-F784 AromaticContact CD1-CG 3.98Å; F720-F784 HydrophobicContact CD1-CG 3.98Å; V721-F784 WeakPolarHBondContact O-CA 3.21Å; N722-F784 WeakPolarHBondContact O-CD1 3.36Å; N722-F784 WeakPolarHBondContact O-CE1 3.44Å; P724-F784 HydrophobicContact CG-CE1 3.85Å; P724-F784 HydrophobicContact CG-CE2 3.75Å; P724-F784 HydrophobicContact CG-CZ 3.37Å; I780-F784 HydrophobicContact CG2-CD2 4.24Å; I780-F784 HydrophobicContact CG2-CE2 3.7Å; I780-F784 WeakPolarHBondContact O-CD2 3.48Å; Y781-F784 PolarHBondContact O-N 3.3Å; Y781-F784 VanDerWaalsContact O-O 3.11Å; F784-I786 HydrophobicContact CB-CG1 4.01Å
785A78.9Confident85.6Confident2 Ų251.4 Ų51.42%0.01724%0.244CC..EExtended strand (participates in β ladder)trans-81.4112.2156.300000106.5A636 A638 L663 V721A636-A785 HydrophobicContact CB-CB 4.04Å; A638-A785 HydrophobicContact CB-CB 4.02Å; L663-A785 HydrophobicContact CD1-CB 4.25Å; V721-A785 HydrophobicContact CB-CB 4.2Å; V721-A785 PolarHBondContact N-O 3.11Å; V721-A785 PolarHBondContact O-N 2.85Å
786I80.5Confident85.2Confident67 Ų6752.6 Ų52.634%0.34424%0.238SC..EExtended strand (participates in β ladder)trans-99.3119.7-178.1-54.3177.2000107.1T718 F720 Y781 F784T718-I786 HydrophobicContact CG2-CG2 3.26Å; F720-I786 HydrophobicContact CD1-CD1 4.18Å; F720-I786 HydrophobicContact CD1-CG1 3.8Å; F720-I786 HydrophobicContact CE1-CD1 3.68Å; F720-I786 HydrophobicContact CE1-CG1 3.77Å; F720-I786 HydrophobicContact CE1-CG2 4.24Å; Y781-I786 HydrophobicContact CD1-CD1 3.75Å; Y781-I786 HydrophobicContact CG-CD1 4.09Å; F784-I786 HydrophobicContact CB-CG1 4.01Å
787I78.1Confident84.8Confident50 Ų5057.4 Ų57.426%0.25626%0.26SS..  trans-115.20-178.6-56.8175.8000109.3A636 L663 W665 H716 T718 V719 V721A636-I787 HydrophobicContact CB-CG1 4.38Å; L663-I787 HydrophobicContact CB-CD1 3.42Å; L663-I787 VanDerWaalsContact CB-CD1 3.42Å; L663-I787 HydrophobicContact CB-CG1 4.41Å; L663-I787 HydrophobicContact CD1-CD1 4.02Å; L663-I787 HydrophobicContact CG-CD1 4.32Å; W665-I787 HydrophobicContact CB-CG2 3.52Å; W665-I787 HydrophobicContact CD2-CG2 4.46Å; W665-I787 HydrophobicContact CE3-CG2 3.96Å; W665-I787 HydrophobicContact CG-CG2 4.35Å; H716-I787 PolarHBondContact CE1-OXT 3.05Å; T718-I787 CarbonylContact C-O 3.59Å; T718-I787 WeakPolarHBondContact CA-O 3.13Å; V719-I787 PolarHBondContact N-O 3.01Å; V719-I787 PolarHBondContact O-N 2.95Å; V721-I787 HydrophobicContact CG2-CD1 4.06Å

Retrieved 787 of 787 residues in 363.7 ms (Link to these results)

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