A0A5K4E9B3_SCHMA Loading...

Putative 4-hydroxyphenylpyruvate dioxygenase

AlphaFold DB , UniProt , Accession A0A5K4E9B3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 398 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M66Low91.4Very high221 Ų22141.9 Ų41.9100%1.08921%0.213SC*.  0144.90-66.6-170.8-157.800107.8L3M1-L3 PolarHBondContact O-N 3.1Å
2S83.2Confident91.5Very high40 Ų4038.5 Ų38.528%0.2820%0.196SC..  trans-60.3133.1173.2176.70000109.9L4 F206 H239S2-L4 PolarHBondContact OG-N 3.08Å; S2-L4 VanDerWaalsContact OG-N 3.11Å; S2-L4 PolarHBondContact OG-O 2.89Å; S2-F206 CarbonylContact C-O 3.54Å; S2-F206 WeakPolarHBondContact CA-O 3.43Å; S2-F206 PolarHBondContact OG-O 2.71Å; S2-H239 WeakPolarHBondContact OG-CB 3.39Å
3L92.9Very high91.2Very high20 Ų2035.6 Ų35.611%0.10518%0.182CC..  trans-83.5-27.6167.2-67.6177.3000111.2M1 K5 V91 A92 E96 V97 R100 F206M1-L3 PolarHBondContact O-N 3.1Å; L3-K5 PolarHBondContact O-N 3.02Å; L3-V91 CarbonylContact O-C 3.32Å; L3-V91 WeakPolarHBondContact O-CA 3.19Å; L3-V91 WeakPolarHBondContact O-CB 3.42Å; L3-A92 HydrophobicContact CD2-CB 4.42Å; L3-A92 PolarHBondContact O-N 3.15Å; L3-E96 HydrophobicContact CD1-CB 4.21Å; L3-E96 HydrophobicContact CD1-CG 3.51Å; L3-E96 HydrophobicContact CD2-CG 4.23Å; L3-E96 HydrophobicContact CG-CG 4.49Å; L3-V97 HydrophobicContact CB-CG2 4.27Å; L3-V97 HydrophobicContact CD1-CG2 3.7Å; L3-R100 VanDerWaalsContact CD1-CZ 3.42Å; L3-F206 PolarHBondContact N-O 2.96Å
4L94.7Very high90.8Very high6 Ų633.9 Ų33.93%0.03117%0.173CC..EExtended strand (participates in β ladder)trans-70.8127178.2-178.762000110.4S2 N6 L89 F206 M208 H239S2-L4 PolarHBondContact OG-N 3.08Å; S2-L4 VanDerWaalsContact OG-N 3.11Å; S2-L4 PolarHBondContact OG-O 2.89Å; L4-N6 WeakPolarHBondContact CD1-O 2.9Å; L4-L89 HydrophobicContact CD1-CB 3.7Å; L4-L89 HydrophobicContact CD1-CD1 4.29Å; L4-L89 HydrophobicContact CD1-CD2 3.82Å; L4-L89 HydrophobicContact CD1-CG 4.12Å; L4-F206 HydrophobicContact CB-CB 4.15Å; L4-F206 HydrophobicContact CB-CD1 4.43Å; L4-M208 HydrophobicContact CD2-CE 3.98Å; L4-M208 HydrophobicContact CD2-CG 4.14Å; L4-M208 HydrophobicContact CD2-SD 3.69Å; L4-H239 HydrophobicContact CB-CB 3.97Å; L4-H239 HydrophobicContact CD2-CB 3.96Å; L4-H239 HydrophobicContact CG-CB 4.06Å; L4-H239 PolarHBondContact O-CD2 3.14Å; L4-H239 VanDerWaalsContact O-CD2 3.26Å
5K92.7Very high90.2Very high62 Ų6237.9 Ų37.927%0.2719%0.189SC..EExtended strand (participates in β ladder)trans-99.2-44.9175.2-67.5174.6177.7157.20112.1L3 E90 V91 D142 H239 R240L3-K5 PolarHBondContact O-N 3.02Å; K5-E90 HydrophobicContact CB-CB 4.43Å; K5-E90 HydrophobicContact CB-CG 4.45Å; K5-E90 WeakPolarHBondContact CB-O 3.31Å; K5-E90 HydrophobicContact CD-CG 4.23Å; K5-E90 PolarHBondContact N-O 3.19Å; K5-V91 WeakPolarHBondContact CE-O 3.01Å; K5-V91 PolarHBondContact NZ-O 3.28Å; K5-D142 IonicContact NZ-OD1 2.6Å; K5-H239 PolarHBondContact O-NE2 3.14Å; K5-R240 PolarHBondContact O-NH2 3.33Å
6N93.4Very high89.9Confident57 Ų5738.6 Ų38.631%0.30520%0.198SC..EExtended strand (participates in β ladder)trans-165.5165.2-179.6-162.417.2000112L4 E90L4-N6 WeakPolarHBondContact CD1-O 2.9Å; N6-E90 PolarHBondContact N-O 2.76Å; N6-E90 PolarHBondContact O-N 2.85Å
7V96.7Very high89.7Confident13 Ų1336.5 Ų36.58%0.07919%0.188CC..EExtended strand (participates in β ladder)trans-76.3119.3160.91760000107.9V10 I87 L89 I186 C252 F254V7-V10 HydrophobicContact CG1-CG2 4.4Å; V7-I87 HydrophobicContact CG1-CG2 3.91Å; V7-I87 HydrophobicContact CG2-CG2 4.35Å; V7-L89 HydrophobicContact CG2-CD2 4.07Å; V7-I186 HydrophobicContact CG1-CD1 4.28Å; V7-I186 HydrophobicContact CG2-CD1 4.26Å; V7-C252 HydrophobicContact CB-CB 4.47Å; V7-C252 HydrophobicContact CG2-CB 3.82Å; V7-F254 HydrophobicContact CG2-CE1 3.76Å; V7-F254 HydrophobicContact CG2-CZ 4.08Å
8H96.8Very high89.4Confident31 Ų3139.6 Ų39.614%0.14420%0.197CC..EExtended strand (participates in β ladder)trans-77.3-45.8-178.4-175.8-111.5000111.4A88 E90 I141 F150H8-A88 HydrophobicContact CB-CB 4.23Å; H8-A88 PolarHBondContact N-O 3.38Å; H8-E90 HydrophobicContact CB-CB 4.39Å; H8-I141 HydrophobicContact CB-CD1 4.47Å; H8-I141 WeakPolarHBondContact ND1-CD1 3.35Å; H8-F150 AromaticContact CE1-CD2 3.76Å; H8-F150 AromaticContact CE1-CE2 3.27Å; H8-F150 WeakPolarHBondContact CE1-CE2 3.44Å; H8-F150 AromaticContact CE1-CZ 3.88Å; H8-F150 AromaticContact ND1-CE2 3.91Å; H8-F150 AromaticContact NE2-CE2 3.95Å
9H97.7Very high89.3Confident5 Ų544.2 Ų44.22%0.02322%0.218CC..EExtended strand (participates in β ladder)trans-168.8166.7171.258.7-86.8000110.5R11 V52 A88 F150H9-R11 WeakPolarHBondContact CD2-CG 3.37Å; H9-R11 WeakPolarHBondContact NE2-CD 3.44Å; H9-R11 WeakPolarHBondContact NE2-CG 3.23Å; H9-V52 VanDerWaalsContact CA-O 3.23Å; H9-V52 WeakPolarHBondContact CA-O 3.36Å; H9-V52 HydrophobicContact CB-CB 3.72Å; H9-V52 HydrophobicContact CB-CG1 3.63Å; H9-V52 WeakPolarHBondContact CB-O 3.42Å; H9-A88 WeakPolarHBondContact CE1-CB 3.41Å; H9-A88 WeakPolarHBondContact NE2-CB 3.25Å; H9-A88 WeakPolarHBondContact O-CB 3.49Å; H9-A88 PolarHBondContact O-N 3.15Å; H9-F150 HydrophobicContact CB-CE2 4.46Å; H9-F150 HydrophobicContact CB-CZ 4.42Å; H9-F150 AromaticContact CE1-CZ 3.63Å; H9-F150 AromaticContact CG-CZ 3.84Å; H9-F150 AromaticContact ND1-CE2 3.7Å; H9-F150 AromaticContact ND1-CZ 3.37Å; H9-F150 WeakPolarHBondContact ND1-CZ 3.5Å
10V97.1Very high89.4Confident0 Ų042.3 Ų42.30%021%0.209CC..EExtended strand (participates in β ladder)trans-108.5131.2167.9-178.70000109.4V7 F12 V52 I53 M54 P84 I87 I186 L280 M283V7-V10 HydrophobicContact CG1-CG2 4.4Å; V10-F12 HydrophobicContact CB-CE2 4.02Å; V10-F12 HydrophobicContact CG1-CD2 4.14Å; V10-F12 HydrophobicContact CG1-CE2 3.56Å; V10-F12 HydrophobicContact CG1-CZ 4.29Å; V10-V52 PolarHBondContact N-O 3.46Å; V10-I53 WeakPolarHBondContact O-CA 3.32Å; V10-M54 PolarHBondContact O-N 2.89Å; V10-P84 HydrophobicContact CG1-CB 3.84Å; V10-I87 HydrophobicContact CG2-CG2 4.46Å; V10-I186 HydrophobicContact CG2-CD1 3.89Å; V10-L280 HydrophobicContact CG1-CD1 3.82Å; V10-M283 HydrophobicContact CB-CE 4Å; V10-M283 HydrophobicContact CB-SD 3.83Å; V10-M283 HydrophobicContact CG1-SD 3.88Å; V10-M283 HydrophobicContact CG2-CE 3.5Å; V10-M283 HydrophobicContact CG2-SD 3.73Å
11R94.3Very high89.4Confident6 Ų640.3 Ų40.32%0.02320%0.199CC..EExtended strand (participates in β ladder)trans-100.5132.6-179-53179.467.9-171.21.7111H9 M54 N56 Y70 H71 P84 F85 D86H9-R11 WeakPolarHBondContact CD2-CG 3.37Å; H9-R11 WeakPolarHBondContact NE2-CD 3.44Å; H9-R11 WeakPolarHBondContact NE2-CG 3.23Å; R11-M54 CarbonylContact C-O 3.54Å; R11-M54 VanDerWaalsContact CA-O 3.31Å; R11-M54 WeakPolarHBondContact CA-O 3.36Å; R11-M54 HydrophobicContact CG-CB 4.14Å; R11-M54 HydrophobicContact CG-SD 3.92Å; R11-M54 PolarHBondContact NE-SD 2.92Å; R11-N56 PolarHBondContact NH2-OD1 3.32Å; R11-Y70 PolarHBondContact NH1-OH 3.36Å; R11-H71 PolarHBondContact NH2-CE1 2.97Å; R11-H71 PolarHBondContact NH2-NE2 3.26Å; R11-P84 WeakPolarHBondContact O-CA 3.49Å; R11-F85 HydrophobicContact CB-CE1 3.93Å; R11-F85 HydrophobicContact CB-CZ 3.99Å; R11-F85 WeakPolarHBondContact O-CD1 3.34Å; R11-F85 PolarHBondContact O-N 3.33Å; R11-D86 HydrophobicContact CB-CB 4.06Å; R11-D86 VanDerWaalsContact CD-OD2 3.23Å; R11-D86 WeakPolarHBondContact CD-OD2 3.14Å; R11-D86 HydrophobicContact CG-CB 4.28Å; R11-D86 PolarHBondContact N-O 2.83Å; R11-D86 IonicContact NH1-OD2 3.2Å; R11-D86 PolarHBondContact NH1-OD2 2.87Å
12F92.3Very high90.5Very high1 Ų134.4 Ų34.40%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-111.7133.9179-70.9-114.9000109.6V10 T14 I53 M54 L55 N56 G83 P84 M283 F361 F366V10-F12 HydrophobicContact CB-CE2 4.02Å; V10-F12 HydrophobicContact CG1-CD2 4.14Å; V10-F12 HydrophobicContact CG1-CE2 3.56Å; V10-F12 HydrophobicContact CG1-CZ 4.29Å; F12-T14 HydrophobicContact CB-CG2 4.24Å; F12-I53 HydrophobicContact CD2-CG2 3.5Å; F12-I53 VanDerWaalsContact CD2-CG2 3.5Å; F12-I53 HydrophobicContact CE2-CB 4.48Å; F12-I53 HydrophobicContact CE2-CD1 4.3Å; F12-I53 HydrophobicContact CE2-CG1 4.17Å; F12-I53 HydrophobicContact CE2-CG2 3.63Å; F12-I53 HydrophobicContact CG-CG2 4.35Å; F12-M54 PolarHBondContact N-O 3.34Å; F12-L55 HydrophobicContact CB-CD2 3.79Å; F12-L55 HydrophobicContact CG-CD2 4.21Å; F12-N56 PolarHBondContact O-N 3.05Å; F12-G83 WeakPolarHBondContact CA-O 2.97Å; F12-P84 HydrophobicContact CD1-CB 4.35Å; F12-P84 HydrophobicContact CD2-CB 4.48Å; F12-P84 HydrophobicContact CE1-CB 4.11Å; F12-P84 HydrophobicContact CE1-CG 4.23Å; F12-P84 HydrophobicContact CE2-CB 4.26Å; F12-P84 HydrophobicContact CZ-CB 4.07Å; F12-P84 HydrophobicContact CZ-CG 4.44Å; F12-M283 HydrophobicContact CE2-SD 4.2Å; F12-M283 HydrophobicContact CZ-SD 4.04Å; F12-F361 AromaticContact CD1-CE2 3.9Å; F12-F361 HydrophobicContact CD1-CE2 3.9Å; F12-F361 HydrophobicContact CD1-CZ 4.12Å; F12-F361 AromaticContact CE1-CE2 3.87Å; F12-F361 HydrophobicContact CE1-CE2 3.87Å; F12-F361 HydrophobicContact CE1-CZ 4.3Å; F12-F366 HydrophobicContact CE1-CD1 4.03Å; F12-F366 AromaticContact CE1-CE1 3.53Å; F12-F366 HydrophobicContact CE1-CE1 3.53Å; F12-F366 AromaticContact CE1-CZ 3.85Å; F12-F366 HydrophobicContact CE1-CZ 3.85Å; F12-F366 AromaticContact CZ-CE1 3.8Å; F12-F366 HydrophobicContact CZ-CE1 3.8Å; F12-F366 HydrophobicContact CZ-CE2 4.47Å; F12-F366 AromaticContact CZ-CZ 3.67Å; F12-F366 HydrophobicContact CZ-CZ 3.67Å
13A88Confident90.9Very high1 Ų134.7 Ų34.71%0.00817%0.169CC..EExtended strand (participates in β ladder)trans-83.2130.3162.300000106.2I58 C78 R81 D82 G83 F85A13-I58 HydrophobicContact CB-CD1 4.09Å; A13-C78 HydrophobicContact CB-CB 4.22Å; A13-R81 HydrophobicContact CB-CB 4.27Å; A13-D82 CarbonylContact O-C 3.5Å; A13-D82 WeakPolarHBondContact O-CA 3.36Å; A13-G83 PolarHBondContact N-O 2.99Å; A13-G83 PolarHBondContact O-N 3.2Å; A13-F85 HydrophobicContact CB-CD1 3.73Å; A13-F85 HydrophobicContact CB-CE1 4.02Å; A13-F85 VanDerWaalsContact N-CD1 3.26Å
14T85Confident90.9Very high11 Ų1133.9 Ų33.97%0.06717%0.165CC..  trans-124.1132.2-175.3620000110.9F12 L17 T20 L55 N56 D82F12-T14 HydrophobicContact CB-CG2 4.24Å; T14-L17 WeakPolarHBondContact OG1-CA 3.47Å; T14-T20 HydrophobicContact CG2-CG2 3.86Å; T14-L55 HydrophobicContact CG2-CB 4.1Å; T14-L55 HydrophobicContact CG2-CD2 4.05Å; T14-N56 PolarHBondContact N-O 3.1Å; T14-N56 PolarHBondContact OG1-O 2.93Å; T14-D82 WeakPolarHBondContact CA-OD1 3.44Å
15K81.9Confident90.8Very high95 Ų9533.7 Ų33.741%0.41316%0.164SC..SBendtrans-75.1-41.5169-74.3176.7180141.20111.2Q80 D82K15-Q80 WeakPolarHBondContact CE-O 3.31Å; K15-Q80 PolarHBondContact NZ-O 3.02Å; K15-D82 HydrophobicContact CD-CB 3.97Å; K15-D82 HydrophobicContact CG-CB 4.06Å; K15-D82 PolarHBondContact N-OD1 2.91Å
16S85.8Confident90.6Very high48 Ų4834 Ų3434%0.33617%0.165SC..SBendtrans-123.191.6175-176.40000109.5W18 Q19 T20S16-W18 PolarHBondContact O-N 3.1Å; S16-Q19 PolarHBondContact O-N 3.3Å; S16-Q19 VanDerWaalsContact OG-CB 3.28Å; S16-Q19 WeakPolarHBondContact OG-CB 3.14Å; S16-T20 PolarHBondContact O-N 3.4Å; S16-T20 PolarHBondContact O-OG1 2.99Å
17L86Confident90.5Very high4 Ų431.3 Ų31.32%0.02115%0.151CC..Hα-helixtrans-49.1-46.7-179-176.473000112.3T14 C21 I42 L44 L55 K57T14-L17 WeakPolarHBondContact OG1-CA 3.47Å; L17-C21 WeakPolarHBondContact O-CB 3.44Å; L17-C21 PolarHBondContact O-N 3.26Å; L17-I42 HydrophobicContact CD2-CB 4.45Å; L17-I42 HydrophobicContact CD2-CD1 4.34Å; L17-I42 HydrophobicContact CD2-CG1 4.24Å; L17-I42 HydrophobicContact CD2-CG2 3.49Å; L17-I42 VanDerWaalsContact CD2-CG2 3.49Å; L17-L44 HydrophobicContact CD1-CD1 4.04Å; L17-L44 HydrophobicContact CD1-CG 4.17Å; L17-L44 HydrophobicContact CD2-CD1 3.76Å; L17-L44 HydrophobicContact CD2-CG 3.96Å; L17-L44 HydrophobicContact CG-CD1 3.67Å; L17-L44 HydrophobicContact CG-CG 4.18Å; L17-L55 HydrophobicContact CD1-CB 3.51Å; L17-K57 HydrophobicContact CB-CB 4.21Å; L17-K57 HydrophobicContact CD1-CB 4.34Å; L17-K57 HydrophobicContact CD2-CB 4.2Å
18W85.5Confident90.4Very high91 Ų9130.7 Ų30.735%0.34515%0.147SC..Hα-helixtrans-72.6-39.8-175.1-58.9126.1000113S16 C21 E22 I42 L44 L165 V168S16-W18 PolarHBondContact O-N 3.1Å; W18-C21 WeakPolarHBondContact O-CB 3.37Å; W18-C21 PolarHBondContact O-N 3.47Å; W18-E22 WeakPolarHBondContact O-CB 3.39Å; W18-E22 PolarHBondContact O-N 3.38Å; W18-I42 HydrophobicContact CH2-CD1 3.99Å; W18-I42 HydrophobicContact CZ2-CD1 4.14Å; W18-L44 HydrophobicContact CE3-CD1 3.92Å; W18-L44 HydrophobicContact CH2-CD1 4.1Å; W18-L44 HydrophobicContact CH2-CD2 4.3Å; W18-L44 HydrophobicContact CZ3-CD1 3.47Å; W18-L44 VanDerWaalsContact CZ3-CD1 3.47Å; W18-L44 HydrophobicContact CZ3-CD2 4.31Å; W18-L165 HydrophobicContact CH2-CD2 3.62Å; W18-L165 HydrophobicContact CZ3-CD2 4.34Å; W18-V168 HydrophobicContact CD2-CG2 4.29Å; W18-V168 HydrophobicContact CE3-CB 4.41Å; W18-V168 HydrophobicContact CE3-CG1 4.04Å; W18-V168 HydrophobicContact CE3-CG2 3.8Å; W18-V168 HydrophobicContact CZ3-CB 4.16Å; W18-V168 HydrophobicContact CZ3-CG1 3.89Å; W18-V168 HydrophobicContact CZ3-CG2 3.92Å
19Q87.6Confident90.2Very high127 Ų12729.3 Ų29.359%0.59314%0.141SC*.Hα-helixtrans-65-42.2176.4-174.5177.54.600111.1S16 T23S16-Q19 PolarHBondContact O-N 3.3Å; S16-Q19 VanDerWaalsContact OG-CB 3.28Å; S16-Q19 WeakPolarHBondContact OG-CB 3.14Å; Q19-T23 WeakPolarHBondContact O-CB 3.21Å; Q19-T23 PolarHBondContact O-N 3.33Å; Q19-T23 PolarHBondContact O-OG1 3.15Å
20T90.3Very high90.1Very high6 Ų629 Ų294%0.03714%0.14CC..Hα-helixtrans-65.8-40.8174.9-56.40000111.1T14 S16 T23 L24 L55 F361T14-T20 HydrophobicContact CG2-CG2 3.86Å; S16-T20 PolarHBondContact O-N 3.4Å; S16-T20 PolarHBondContact O-OG1 2.99Å; T20-T23 PolarHBondContact O-N 3.48Å; T20-L24 HydrophobicContact CG2-CD1 4.05Å; T20-L24 WeakPolarHBondContact O-CG 3.43Å; T20-L24 PolarHBondContact O-N 2.77Å; T20-L55 HydrophobicContact CG2-CD1 4.03Å; T20-L55 HydrophobicContact CG2-CD2 3.79Å; T20-F361 HydrophobicContact CG2-CE1 3.77Å; T20-F361 HydrophobicContact CG2-CZ 3.81Å
21C90.6Very high89.8Confident2 Ų231.2 Ų31.21%0.01415%0.153CC..Hα-helixtrans-58.2-52.3175.1-174.10000111.6L17 W18 T23 L24 I25 L44 L55L17-C21 WeakPolarHBondContact O-CB 3.44Å; L17-C21 PolarHBondContact O-N 3.26Å; W18-C21 WeakPolarHBondContact O-CB 3.37Å; W18-C21 PolarHBondContact O-N 3.47Å; C21-T23 VanDerWaalsContact C-N 3.35Å; C21-T23 PolarHBondContact O-N 3.26Å; C21-L24 PolarHBondContact O-N 3.12Å; C21-I25 WeakPolarHBondContact O-CB 3.2Å; C21-I25 WeakPolarHBondContact O-CG1 3.41Å; C21-I25 PolarHBondContact O-N 2.62Å; C21-I25 VanDerWaalsContact SG-CD1 3.57Å; C21-L44 HydrophobicContact CB-CD1 4.1Å; C21-L55 HydrophobicContact CB-CD1 3.82Å
22E88.3Confident89.7Confident97 Ų9731.8 Ų31.845%0.45316%0.157SC..Hα-helixtrans-60.9-43.4178.7-174.8178.7-169.200111.7W18 L24 I25 K26W18-E22 WeakPolarHBondContact O-CB 3.39Å; W18-E22 PolarHBondContact O-N 3.38Å; E22-L24 VanDerWaalsContact C-N 3.31Å; E22-L24 PolarHBondContact O-N 2.97Å; E22-I25 PolarHBondContact O-N 2.94Å; E22-K26 HydrophobicContact CG-CD 3.66Å; E22-K26 HydrophobicContact CG-CG 4.12Å; E22-K26 WeakPolarHBondContact O-CB 3.43Å; E22-K26 PolarHBondContact O-N 3.07Å; E22-K26 WeakPolarHBondContact OE1-CE 3.43Å; E22-K26 IonicContact OE1-NZ 3.41Å; E22-K26 PolarHBondContact OE1-NZ 3.37Å
23T91.4Very high89.6Confident46 Ų4633.9 Ų33.928%0.28217%0.166SC..Hα-helixtrans-59.1-42.2177.2-59.40000111.4Q19 T20 C21 G27 I302Q19-T23 WeakPolarHBondContact O-CB 3.21Å; Q19-T23 PolarHBondContact O-N 3.33Å; Q19-T23 PolarHBondContact O-OG1 3.15Å; T20-T23 PolarHBondContact O-N 3.48Å; C21-T23 VanDerWaalsContact C-N 3.35Å; C21-T23 PolarHBondContact O-N 3.26Å; T23-G27 WeakPolarHBondContact O-CA 3.35Å; T23-G27 PolarHBondContact O-N 3.41Å; T23-I302 HydrophobicContact CG2-CD1 3.85Å
24L93.7Very high89.8Confident2 Ų233.8 Ų33.81%0.0117%0.166CC..Hα-helixtrans-75.2-38.2179.8-69.3172000112.6T20 C21 E22 F28 G29 F30 L46 I53 L55T20-L24 HydrophobicContact CG2-CD1 4.05Å; T20-L24 WeakPolarHBondContact O-CG 3.43Å; T20-L24 PolarHBondContact O-N 2.77Å; C21-L24 PolarHBondContact O-N 3.12Å; E22-L24 VanDerWaalsContact C-N 3.31Å; E22-L24 PolarHBondContact O-N 2.97Å; L24-F28 HydrophobicContact CD2-CD2 3.99Å; L24-F28 HydrophobicContact CD2-CE2 4.49Å; L24-F28 CarbonylContact O-C 3.55Å; L24-F28 WeakPolarHBondContact O-CA 3.27Å; L24-F28 WeakPolarHBondContact O-CB 3.17Å; L24-F28 PolarHBondContact O-N 3.23Å; L24-F28 VanDerWaalsContact O-N 3.1Å; L24-G29 PolarHBondContact O-N 2.97Å; L24-F30 PolarHBondContact O-N 3.41Å; L24-L46 HydrophobicContact CB-CD1 3.56Å; L24-L46 HydrophobicContact CD1-CD1 3.73Å; L24-L46 HydrophobicContact CG-CD1 4.31Å; L24-I53 HydrophobicContact CD1-CD1 4.25Å; L24-I53 HydrophobicContact CD1-CG2 3.86Å; L24-I53 HydrophobicContact CD2-CD1 4.1Å; L24-L55 HydrophobicContact CD1-CD1 4.31Å; L24-L55 HydrophobicContact CD1-CD2 3.78Å; L24-L55 HydrophobicContact CD1-CG 4.48Å
25I91.8Very high90.1Very high2 Ų233.3 Ų33.31%0.0116%0.163CC..Hα-helixtrans-70.3-57178.4-69.6175000111.1C21 E22 G29 F30 L32 L46 N172 N175C21-I25 WeakPolarHBondContact O-CB 3.2Å; C21-I25 WeakPolarHBondContact O-CG1 3.41Å; C21-I25 PolarHBondContact O-N 2.62Å; C21-I25 VanDerWaalsContact SG-CD1 3.57Å; E22-I25 PolarHBondContact O-N 2.94Å; I25-G29 WeakPolarHBondContact O-CA 3.42Å; I25-G29 PolarHBondContact O-N 2.95Å; I25-G29 VanDerWaalsContact O-N 3.14Å; I25-F30 VanDerWaalsContact CA-O 3.32Å; I25-F30 WeakPolarHBondContact CA-O 3.18Å; I25-F30 WeakPolarHBondContact CG2-O 3.46Å; I25-L32 HydrophobicContact CD1-CB 4.24Å; I25-L46 HydrophobicContact CD1-CD2 4.07Å; I25-L46 HydrophobicContact CG1-CD1 4.42Å; I25-L46 HydrophobicContact CG1-CD2 4.17Å; I25-N172 WeakPolarHBondContact CG2-OD1 3.2Å; I25-N175 PolarHBondContact O-ND2 3.43Å
26K88.6Confident90.3Very high69 Ų6929.9 Ų29.930%0.315%0.148SC..Hα-helixtrans-74.7-42.7-176.7-63.3-173.3-177.81700111.1E22 E171 N300E22-K26 HydrophobicContact CG-CD 3.66Å; E22-K26 HydrophobicContact CG-CG 4.12Å; E22-K26 WeakPolarHBondContact O-CB 3.43Å; E22-K26 PolarHBondContact O-N 3.07Å; E22-K26 WeakPolarHBondContact OE1-CE 3.43Å; E22-K26 IonicContact OE1-NZ 3.41Å; E22-K26 PolarHBondContact OE1-NZ 3.37Å; K26-E171 IonicContact NZ-OE2 2.51Å; K26-N300 HydrophobicContact CB-CB 4.18Å; K26-N300 WeakPolarHBondContact O-CB 3.4Å; K26-N300 PolarHBondContact O-ND2 2.6Å; K26-N300 VanDerWaalsContact O-ND2 3.09Å
27G92Very high90Very high1 Ų130.9 Ų30.91%0.0115%0.146CC..Hα-helixtrans-76.9-36.8-176.300000114.4T23 C297T23-G27 WeakPolarHBondContact O-CA 3.35Å; T23-G27 PolarHBondContact O-N 3.41Å; G27-C297 WeakPolarHBondContact O-CA 3.17Å; G27-C297 PolarHBondContact O-SG 3.48Å
28F94.7Very high89.5Confident0 Ų036.6 Ų36.60%017%0.168CC..Hα-helixtrans-121.87.8-171.5-65.4-86.3000114.6L24 F30 F179 V180 L285 I302 T357 L360 M368 L370L24-F28 HydrophobicContact CD2-CD2 3.99Å; L24-F28 HydrophobicContact CD2-CE2 4.49Å; L24-F28 CarbonylContact O-C 3.55Å; L24-F28 WeakPolarHBondContact O-CA 3.27Å; L24-F28 WeakPolarHBondContact O-CB 3.17Å; L24-F28 PolarHBondContact O-N 3.23Å; L24-F28 VanDerWaalsContact O-N 3.1Å; F28-F30 VanDerWaalsContact C-N 3.27Å; F28-F30 HydrophobicContact CB-CD2 3.74Å; F28-F30 HydrophobicContact CB-CE2 3.89Å; F28-F30 PolarHBondContact O-N 3.06Å; F28-F179 WeakPolarHBondContact O-CE2 3.27Å; F28-F179 WeakPolarHBondContact O-CZ 3.5Å; F28-V180 WeakPolarHBondContact O-CG2 3.41Å; F28-L285 HydrophobicContact CD1-CD1 4.03Å; F28-I302 HydrophobicContact CD2-CD1 4.33Å; F28-I302 HydrophobicContact CE2-CD1 3.63Å; F28-I302 HydrophobicContact CE2-CG1 4.15Å; F28-I302 HydrophobicContact CZ-CD1 4.13Å; F28-I302 HydrophobicContact CZ-CG1 4.36Å; F28-I302 HydrophobicContact CZ-CG2 4.12Å; F28-T357 HydrophobicContact CE1-CG2 4.05Å; F28-T357 HydrophobicContact CZ-CG2 3.9Å; F28-L360 HydrophobicContact CE2-CD1 3.74Å; F28-L360 HydrophobicContact CE2-CD2 4.09Å; F28-L360 HydrophobicContact CZ-CD1 3.86Å; F28-L360 HydrophobicContact CZ-CD2 4.02Å; F28-M368 HydrophobicContact CD1-CB 4.48Å; F28-M368 HydrophobicContact CE1-CB 3.54Å; F28-M368 HydrophobicContact CE1-CG 3.8Å; F28-M368 HydrophobicContact CE2-CG 4.32Å; F28-M368 HydrophobicContact CZ-CB 3.74Å; F28-M368 HydrophobicContact CZ-CG 3.64Å; F28-L370 HydrophobicContact CD1-CD2 4.15Å; F28-L370 HydrophobicContact CE1-CD2 4.33Å
29G92.5Very high89Confident1 Ų135.5 Ų35.51%0.0118%0.184CC..  trans69.423.5175.300000113.8L24 I25 S178L24-G29 PolarHBondContact O-N 2.97Å; I25-G29 WeakPolarHBondContact O-CA 3.42Å; I25-G29 PolarHBondContact O-N 2.95Å; I25-G29 VanDerWaalsContact O-N 3.14Å; G29-S178 WeakPolarHBondContact O-CA 3.3Å
30F94.1Very high88.2Confident0 Ų033 Ų330%018%0.181CC..  trans-75.1159.7168.8-75.2-101.9000110.8L24 I25 F28 L46 I53 V180 L285L24-F30 PolarHBondContact O-N 3.41Å; I25-F30 VanDerWaalsContact CA-O 3.32Å; I25-F30 WeakPolarHBondContact CA-O 3.18Å; I25-F30 WeakPolarHBondContact CG2-O 3.46Å; F28-F30 VanDerWaalsContact C-N 3.27Å; F28-F30 HydrophobicContact CB-CD2 3.74Å; F28-F30 HydrophobicContact CB-CE2 3.89Å; F28-F30 PolarHBondContact O-N 3.06Å; F30-L46 HydrophobicContact CB-CB 4.09Å; F30-L46 HydrophobicContact CD1-CB 4.02Å; F30-L46 HydrophobicContact CG-CB 4.37Å; F30-I53 HydrophobicContact CE1-CB 4.5Å; F30-I53 HydrophobicContact CE1-CD1 3.93Å; F30-I53 HydrophobicContact CE1-CG1 4.05Å; F30-I53 HydrophobicContact CE2-CD1 4.12Å; F30-I53 HydrophobicContact CZ-CD1 3.63Å; F30-I53 HydrophobicContact CZ-CG1 4.19Å; F30-V180 HydrophobicContact CE2-CG2 4.29Å; F30-L285 HydrophobicContact CE2-CD1 4.14Å
31T91.4Very high87.4Confident46 Ų4633.9 Ų33.928%0.28219%0.185SC..EExtended strand (participates in β ladder)trans-121.5151.6168.561.60000109.7H33 L46 K47 N175T31-H33 PolarHBondContact O-N 3.41Å; T31-L46 CarbonylContact O-C 3.49Å; T31-L46 VanDerWaalsContact O-CA 3.24Å; T31-L46 WeakPolarHBondContact O-CA 3.29Å; T31-K47 PolarHBondContact N-O 3.39Å; T31-K47 PolarHBondContact O-N 3.43Å; T31-K47 PolarHBondContact OG1-O 3.04Å; T31-N175 HydrophobicContact CG2-CB 4.23Å
32L91.3Very high87Confident18 Ų1834.7 Ų34.79%0.09419%0.189CC..EExtended strand (participates in β ladder)trans-72.3109.4170.5179.961.3000109I25 L44 L46 P157 L169I25-L32 HydrophobicContact CD1-CB 4.24Å; L32-L44 HydrophobicContact CD1-CB 3.94Å; L32-L44 HydrophobicContact CD1-CD2 4.19Å; L32-L46 HydrophobicContact CB-CD2 4.14Å; L32-L46 HydrophobicContact CD1-CD2 3.82Å; L32-P157 HydrophobicContact CD2-CG 4.24Å; L32-P157 HydrophobicContact CG-CG 4.01Å; L32-L169 HydrophobicContact CD2-CD2 3.26Å; L32-L169 HydrophobicContact CG-CD2 4.43Å
33H92.1Very high87Confident44 Ų4430.4 Ų30.420%0.20417%0.169CC..EExtended strand (participates in β ladder)trans-87.3-49.9-173.4176.869.1000112.1T31 V45 K47 L149 P157T31-H33 PolarHBondContact O-N 3.41Å; H33-V45 WeakPolarHBondContact CB-O 3.28Å; H33-V45 PolarHBondContact N-O 3.06Å; H33-K47 HydrophobicContact CB-CB 3.65Å; H33-K47 HydrophobicContact CB-CD 4.46Å; H33-L149 PolarHBondContact NE2-O 2.93Å; H33-P157 WeakPolarHBondContact O-CD 3.13Å
34C91.8Very high87Confident0 Ų028.2 Ų28.20%016%0.156CC..EExtended strand (participates in β ladder)trans-158.6171.5176.665.90000110.7V45 F150 T155C34-V45 PolarHBondContact N-O 3.31Å; C34-V45 WeakPolarHBondContact O-CB 3.35Å; C34-V45 PolarHBondContact O-N 3.33Å; C34-V45 VanDerWaalsContact SG-CB 3.58Å; C34-F150 VanDerWaalsContact SG-CB 3.52Å; C34-T155 VanDerWaalsContact CA-O 3.31Å; C34-T155 WeakPolarHBondContact CA-O 3.47Å; C34-T155 VanDerWaalsContact CB-O 3.27Å; C34-T155 WeakPolarHBondContact CB-O 3.44Å
35L90.8Very high87.1Confident0 Ų028.1 Ų28.10%016%0.155CC..EExtended strand (participates in β ladder)trans-143.4155.2177.26798.6000111.8K37 N43 L44 Y154 T155 L165L35-K37 HydrophobicContact CD1-CB 4.14Å; L35-N43 VanDerWaalsContact CA-O 3.24Å; L35-N43 WeakPolarHBondContact CA-O 3.45Å; L35-N43 WeakPolarHBondContact CB-O 3.29Å; L35-L44 HydrophobicContact CB-CD2 3.97Å; L35-Y154 WeakPolarHBondContact O-CA 3.33Å; L35-T155 PolarHBondContact N-O 3.1Å; L35-T155 PolarHBondContact O-N 3.12Å; L35-T155 PolarHBondContact O-OG1 3.11Å; L35-L165 HydrophobicContact CD1-CD1 4.09Å; L35-L165 HydrophobicContact CD2-CD1 3.8Å; L35-L165 HydrophobicContact CD2-CD2 3.94Å
36F87.2Confident87.2Confident23 Ų2328 Ų2810%0.10116%0.155CC..EExtended strand (participates in β ladder)trans-118.1131.3166.7174.1-91.4000108.2R38 I42 N43 P67 G153 Y154F36-R38 HydrophobicContact CE1-CB 3.75Å; F36-R38 HydrophobicContact CZ-CB 3.71Å; F36-I42 WeakPolarHBondContact O-CA 3.26Å; F36-N43 HydrophobicContact CB-CB 4.34Å; F36-N43 PolarHBondContact N-O 3.48Å; F36-N43 PolarHBondContact O-N 3.18Å; F36-P67 HydrophobicContact CE1-CG 4.31Å; F36-P67 HydrophobicContact CE2-CG 4.19Å; F36-P67 HydrophobicContact CZ-CG 3.7Å; F36-G153 WeakPolarHBondContact CD2-O 3.4Å; F36-Y154 HydrophobicContact CB-CD1 3.75Å; F36-Y154 HydrophobicContact CB-CD2 4.15Å; F36-Y154 HydrophobicContact CB-CE1 3.51Å; F36-Y154 HydrophobicContact CB-CE2 3.96Å; F36-Y154 HydrophobicContact CB-CG 4.06Å; F36-Y154 HydrophobicContact CG-CE2 4.5Å
37K79.5Confident87.5Confident69 Ų6928.3 Ų28.330%0.316%0.156SC..EExtended strand (participates in β ladder)trans-134.9127174.6-173.4177.6-178.9-179.60109.9L35 E41 N162L35-K37 HydrophobicContact CD1-CB 4.14Å; K37-E41 VanDerWaalsContact CA-O 3.3Å; K37-E41 WeakPolarHBondContact CA-O 3.47Å; K37-N162 PolarHBondContact NZ-ND2 3.11Å
38R74.6Confident87.6Confident125 Ų12528.3 Ų28.347%0.47216%0.155SC..EExtended strand (participates in β ladder)trans-141.8113.1172.1-170.9179.6-176.91792.1109.7F36 S40 E41 Y65F36-R38 HydrophobicContact CE1-CB 3.75Å; F36-R38 HydrophobicContact CZ-CB 3.71Å; R38-S40 PolarHBondContact O-N 3.34Å; R38-E41 PolarHBondContact N-O 3.31Å; R38-E41 WeakPolarHBondContact O-CB 3.37Å; R38-E41 PolarHBondContact O-N 2.99Å; R38-E41 VanDerWaalsContact O-N 3.09Å; R38-Y65 PolarHBondContact NH1-O 3.47Å
39G74.8Confident87.6Confident68 Ų6832.7 Ų32.770%0.70118%0.179SC*.THydrogen-bonded Turntrans61-123.4-172.800000111
40S71.6Confident87.7Confident75 Ų7538.6 Ų38.652%0.52421%0.206SC..THydrogen-bonded Turntrans-87.7-9.7176.5620000114.1R38 Q59R38-S40 PolarHBondContact O-N 3.34Å; S40-Q59 PolarHBondContact OG-OE1 3.14Å
41E72.7Confident87.8Confident24 Ų2438.6 Ų38.611%0.11221%0.206CC..EExtended strand (participates in β ladder)trans-76.6132177.8-60.2178147.600110K37 R38 L61 H66K37-E41 VanDerWaalsContact CA-O 3.3Å; K37-E41 WeakPolarHBondContact CA-O 3.47Å; R38-E41 PolarHBondContact N-O 3.31Å; R38-E41 WeakPolarHBondContact O-CB 3.37Å; R38-E41 PolarHBondContact O-N 2.99Å; R38-E41 VanDerWaalsContact O-N 3.09Å; E41-L61 HydrophobicContact CG-CD2 3.89Å; E41-L61 WeakPolarHBondContact OE1-CD1 3.15Å; E41-L61 WeakPolarHBondContact OE1-CD2 3.24Å; E41-H66 IonicContact OE1-CD2 3.78Å; E41-H66 PolarHBondContact OE1-CD2 3.22Å; E41-H66 IonicContact OE2-CD2 2.83Å; E41-H66 PolarHBondContact OE2-CD2 3.15Å
42I81.9Confident88Confident18 Ų1837.2 Ų37.29%0.09220%0.198CC..EExtended strand (participates in β ladder)trans-139.3129.5174.5-175.9167.2000109.5L17 W18 F36 L44 K57 L165L17-I42 HydrophobicContact CD2-CB 4.45Å; L17-I42 HydrophobicContact CD2-CD1 4.34Å; L17-I42 HydrophobicContact CD2-CG1 4.24Å; L17-I42 HydrophobicContact CD2-CG2 3.49Å; L17-I42 VanDerWaalsContact CD2-CG2 3.49Å; W18-I42 HydrophobicContact CH2-CD1 3.99Å; W18-I42 HydrophobicContact CZ2-CD1 4.14Å; F36-I42 WeakPolarHBondContact O-CA 3.26Å; I42-L44 HydrophobicContact CD1-CD2 3.92Å; I42-L44 HydrophobicContact CG1-CD2 3.96Å; I42-K57 HydrophobicContact CG2-CB 4.11Å; I42-K57 HydrophobicContact CG2-CD 4.45Å; I42-K57 PolarHBondContact O-N 3.42Å; I42-L165 HydrophobicContact CD1-CD2 4.35Å
43N88.6Confident88.3Confident8 Ų836.4 Ų36.44%0.04319%0.193CC..EExtended strand (participates in β ladder)trans-120.7128.9172-63-28.3000108.7L35 F36 M54 L55 N56 Y154L35-N43 VanDerWaalsContact CA-O 3.24Å; L35-N43 WeakPolarHBondContact CA-O 3.45Å; L35-N43 WeakPolarHBondContact CB-O 3.29Å; F36-N43 HydrophobicContact CB-CB 4.34Å; F36-N43 PolarHBondContact N-O 3.48Å; F36-N43 PolarHBondContact O-N 3.18Å; N43-M54 HydrophobicContact CB-CE 3.42Å; N43-M54 VanDerWaalsContact CB-CE 3.42Å; N43-M54 VanDerWaalsContact ND2-CE 3.26Å; N43-M54 WeakPolarHBondContact ND2-CE 3.37Å; N43-L55 WeakPolarHBondContact CA-O 3.43Å; N43-N56 PolarHBondContact OD1-OD1 2.96Å; N43-Y154 HydrophobicContact CB-CE1 4.29Å
44L91.6Very high88.5Confident0 Ų034.4 Ų34.40%018%0.184CC..EExtended strand (participates in β ladder)trans-107133.1176.2-55179.1000108.8L17 W18 C21 L32 L35 I42 M54 L55L17-L44 HydrophobicContact CD1-CD1 4.04Å; L17-L44 HydrophobicContact CD1-CG 4.17Å; L17-L44 HydrophobicContact CD2-CD1 3.76Å; L17-L44 HydrophobicContact CD2-CG 3.96Å; L17-L44 HydrophobicContact CG-CD1 3.67Å; L17-L44 HydrophobicContact CG-CG 4.18Å; W18-L44 HydrophobicContact CE3-CD1 3.92Å; W18-L44 HydrophobicContact CH2-CD1 4.1Å; W18-L44 HydrophobicContact CH2-CD2 4.3Å; W18-L44 HydrophobicContact CZ3-CD1 3.47Å; W18-L44 VanDerWaalsContact CZ3-CD1 3.47Å; W18-L44 HydrophobicContact CZ3-CD2 4.31Å; C21-L44 HydrophobicContact CB-CD1 4.1Å; L32-L44 HydrophobicContact CD1-CB 3.94Å; L32-L44 HydrophobicContact CD1-CD2 4.19Å; L35-L44 HydrophobicContact CB-CD2 3.97Å; I42-L44 HydrophobicContact CD1-CD2 3.92Å; I42-L44 HydrophobicContact CG1-CD2 3.96Å; L44-M54 CarbonylContact O-C 3.57Å; L44-M54 WeakPolarHBondContact O-CA 3.31Å; L44-L55 HydrophobicContact CB-CB 4.35Å; L44-L55 PolarHBondContact N-O 3.09Å; L44-L55 PolarHBondContact O-N 2.81Å
45V94.9Very high88.5Confident0 Ų034.4 Ų34.40%018%0.184CC..EExtended strand (participates in β ladder)trans-108.7114.7175.7-177.20000107.7H33 C34 V52 M54 F150 Y154H33-V45 WeakPolarHBondContact CB-O 3.28Å; H33-V45 PolarHBondContact N-O 3.06Å; C34-V45 PolarHBondContact N-O 3.31Å; C34-V45 WeakPolarHBondContact O-CB 3.35Å; C34-V45 PolarHBondContact O-N 3.33Å; C34-V45 VanDerWaalsContact SG-CB 3.58Å; V45-V52 HydrophobicContact CG1-CG1 3.6Å; V45-M54 HydrophobicContact CG2-CG 4.39Å; V45-F150 HydrophobicContact CB-CD1 4.48Å; V45-F150 HydrophobicContact CB-CE1 4.49Å; V45-F150 HydrophobicContact CG1-CD1 4.24Å; V45-F150 HydrophobicContact CG1-CD2 4.2Å; V45-F150 HydrophobicContact CG1-CE1 4.19Å; V45-F150 HydrophobicContact CG1-CE2 4.15Å; V45-F150 HydrophobicContact CG1-CG 4.23Å; V45-F150 HydrophobicContact CG1-CZ 4.12Å; V45-F150 HydrophobicContact CG2-CD1 3.59Å; V45-F150 HydrophobicContact CG2-CE1 3.47Å; V45-F150 VanDerWaalsContact CG2-CE1 3.47Å; V45-F150 HydrophobicContact CG2-CG 4.33Å; V45-F150 HydrophobicContact CG2-CZ 4.15Å; V45-Y154 HydrophobicContact CG2-CD1 3.66Å; V45-Y154 HydrophobicContact CG2-CE1 3.46Å; V45-Y154 VanDerWaalsContact CG2-CE1 3.46Å
46L94.8Very high88.3Confident0 Ų034.5 Ų34.50%019%0.185CC..EExtended strand (participates in β ladder)trans-99.1137.4175.8-55.3-172.7000109.5L24 I25 F30 T31 L32 V52 I53 L55L24-L46 HydrophobicContact CB-CD1 3.56Å; L24-L46 HydrophobicContact CD1-CD1 3.73Å; L24-L46 HydrophobicContact CG-CD1 4.31Å; I25-L46 HydrophobicContact CD1-CD2 4.07Å; I25-L46 HydrophobicContact CG1-CD1 4.42Å; I25-L46 HydrophobicContact CG1-CD2 4.17Å; F30-L46 HydrophobicContact CB-CB 4.09Å; F30-L46 HydrophobicContact CD1-CB 4.02Å; F30-L46 HydrophobicContact CG-CB 4.37Å; T31-L46 CarbonylContact O-C 3.49Å; T31-L46 VanDerWaalsContact O-CA 3.24Å; T31-L46 WeakPolarHBondContact O-CA 3.29Å; L32-L46 HydrophobicContact CB-CD2 4.14Å; L32-L46 HydrophobicContact CD1-CD2 3.82Å; L46-V52 WeakPolarHBondContact O-CA 3.42Å; L46-I53 HydrophobicContact CB-CB 4.48Å; L46-I53 PolarHBondContact N-O 2.87Å; L46-I53 PolarHBondContact O-N 3.5Å; L46-L55 HydrophobicContact CD1-CD1 3.83Å; L46-L55 HydrophobicContact CD1-CG 4.26Å; L46-L55 HydrophobicContact CG-CD1 4.38Å
47K95Very high87.7Confident74 Ų7437.2 Ų37.232%0.32220%0.197SC..EExtended strand (participates in β ladder)trans-134.6140.7-179.6-171.9170.8179.1178.40111T31 H33 N49 S51 V52T31-K47 PolarHBondContact N-O 3.39Å; T31-K47 PolarHBondContact O-N 3.43Å; T31-K47 PolarHBondContact OG1-O 3.04Å; H33-K47 HydrophobicContact CB-CB 3.65Å; H33-K47 HydrophobicContact CB-CD 4.46Å; K47-N49 WeakPolarHBondContact CE-O 3.47Å; K47-N49 WeakPolarHBondContact CG-O 3.45Å; K47-S51 WeakPolarHBondContact CA-O 3.26Å; K47-V52 HydrophobicContact CD-CG2 4.39Å; K47-V52 HydrophobicContact CG-CG2 4.14Å
48S94.7Very high87Confident1 Ų135.8 Ų35.81%0.00719%0.192CC..EExtended strand (participates in β ladder)trans-136.1107.9163.6-179.10000107.2Q50 S51 S178 V180S48-Q50 PolarHBondContact O-N 2.99Å; S48-S51 PolarHBondContact N-O 3.24Å; S48-S51 PolarHBondContact O-N 3.18Å; S48-S178 PolarHBondContact OG-OG 2.6Å; S48-V180 CarbonylContact C-O 3.57Å; S48-V180 VanDerWaalsContact O-O 3.14Å; S48-V180 WeakPolarHBondContact OG-CB 3.05Å; S48-V180 PolarHBondContact OG-N 3.42Å; S48-V180 PolarHBondContact OG-O 2.87Å
49N93.6Very high86.3Confident92 Ų9233.7 Ų33.749%0.49219%0.188SC..THydrogen-bonded Turntrans48.4-109.9-169.9-63.4-68.6000112.1K47 V180 K181K47-N49 WeakPolarHBondContact CE-O 3.47Å; K47-N49 WeakPolarHBondContact CG-O 3.45Å; N49-V180 WeakPolarHBondContact CB-O 3.37Å; N49-V180 PolarHBondContact ND2-O 3.29Å; N49-K181 WeakPolarHBondContact CB-O 3.29Å
50Q93.8Very high85.3Confident125 Ų12535.7 Ų35.758%0.58419%0.186SC*.THydrogen-bonded Turntrans-95.2-7.5-178.6-57.4178.40.500113.6S48 K181S48-Q50 PolarHBondContact O-N 2.99Å; Q50-K181 WeakPolarHBondContact CB-O 3.48Å; Q50-K181 PolarHBondContact N-O 3.33Å
51S96.3Very high84.2Confident0 Ų034.4 Ų34.40%017%0.173CC..EExtended strand (participates in β ladder)trans-85.5128.3175.7-167.10000109.9K47 S48 T183K47-S51 WeakPolarHBondContact CA-O 3.26Å; S48-S51 PolarHBondContact N-O 3.24Å; S48-S51 PolarHBondContact O-N 3.18Å; S51-T183 PolarHBondContact OG-OG1 2.89Å
52V97.4Very high82.8Confident18 Ų1839.2 Ų39.211%0.10921%0.21CC..EExtended strand (participates in β ladder)trans-128.4128.8-177.7-172.90000109.7H9 V10 V45 L46 K47 F150H9-V52 VanDerWaalsContact CA-O 3.23Å; H9-V52 WeakPolarHBondContact CA-O 3.36Å; H9-V52 HydrophobicContact CB-CB 3.72Å; H9-V52 HydrophobicContact CB-CG1 3.63Å; H9-V52 WeakPolarHBondContact CB-O 3.42Å; V10-V52 PolarHBondContact N-O 3.46Å; V45-V52 HydrophobicContact CG1-CG1 3.6Å; L46-V52 WeakPolarHBondContact O-CA 3.42Å; K47-V52 HydrophobicContact CD-CG2 4.39Å; K47-V52 HydrophobicContact CG-CG2 4.14Å; V52-F150 HydrophobicContact CG1-CE2 3.94Å; V52-F150 HydrophobicContact CG1-CZ 4.47Å
53I97.4Very high81Confident0 Ų042.2 Ų42.20%023%0.232CC..EExtended strand (participates in β ladder)trans-122.2131.7176-68.1174.8000108.4V10 F12 L24 F30 L46 L55V10-I53 WeakPolarHBondContact O-CA 3.32Å; F12-I53 HydrophobicContact CD2-CG2 3.5Å; F12-I53 VanDerWaalsContact CD2-CG2 3.5Å; F12-I53 HydrophobicContact CE2-CB 4.48Å; F12-I53 HydrophobicContact CE2-CD1 4.3Å; F12-I53 HydrophobicContact CE2-CG1 4.17Å; F12-I53 HydrophobicContact CE2-CG2 3.63Å; F12-I53 HydrophobicContact CG-CG2 4.35Å; L24-I53 HydrophobicContact CD1-CD1 4.25Å; L24-I53 HydrophobicContact CD1-CG2 3.86Å; L24-I53 HydrophobicContact CD2-CD1 4.1Å; F30-I53 HydrophobicContact CE1-CB 4.5Å; F30-I53 HydrophobicContact CE1-CD1 3.93Å; F30-I53 HydrophobicContact CE1-CG1 4.05Å; F30-I53 HydrophobicContact CE2-CD1 4.12Å; F30-I53 HydrophobicContact CZ-CD1 3.63Å; F30-I53 HydrophobicContact CZ-CG1 4.19Å; L46-I53 HydrophobicContact CB-CB 4.48Å; L46-I53 PolarHBondContact N-O 2.87Å; L46-I53 PolarHBondContact O-N 3.5Å; I53-L55 HydrophobicContact CG2-CD2 3.7Å; I53-L55 HydrophobicContact CG2-CG 4.48Å
54M95.3Very high78.7Confident3 Ų347.1 Ų47.12%0.01526%0.262CS..EExtended strand (participates in β ladder)trans-111.7120.1176.4-178.4-165.317600110V10 R11 F12 N43 L44 V45 N56 Y154V10-M54 PolarHBondContact O-N 2.89Å; R11-M54 CarbonylContact C-O 3.54Å; R11-M54 VanDerWaalsContact CA-O 3.31Å; R11-M54 WeakPolarHBondContact CA-O 3.36Å; R11-M54 HydrophobicContact CG-CB 4.14Å; R11-M54 HydrophobicContact CG-SD 3.92Å; R11-M54 PolarHBondContact NE-SD 2.92Å; F12-M54 PolarHBondContact N-O 3.34Å; N43-M54 HydrophobicContact CB-CE 3.42Å; N43-M54 VanDerWaalsContact CB-CE 3.42Å; N43-M54 VanDerWaalsContact ND2-CE 3.26Å; N43-M54 WeakPolarHBondContact ND2-CE 3.37Å; L44-M54 CarbonylContact O-C 3.57Å; L44-M54 WeakPolarHBondContact O-CA 3.31Å; V45-M54 HydrophobicContact CG2-CG 4.39Å; M54-N56 WeakPolarHBondContact CE-OD1 3.09Å; M54-N56 PolarHBondContact O-ND2 2.98Å; M54-Y154 WeakPolarHBondContact CE-OH 3.35Å
55L92.4Very high76.5Confident0 Ų055.8 Ų55.80%030%0.296CS..EExtended strand (participates in β ladder)trans-95.9126.9176.9-51.5-175.9000109.8F12 T14 L17 T20 C21 L24 N43 L44 L46 I53F12-L55 HydrophobicContact CB-CD2 3.79Å; F12-L55 HydrophobicContact CG-CD2 4.21Å; T14-L55 HydrophobicContact CG2-CB 4.1Å; T14-L55 HydrophobicContact CG2-CD2 4.05Å; L17-L55 HydrophobicContact CD1-CB 3.51Å; T20-L55 HydrophobicContact CG2-CD1 4.03Å; T20-L55 HydrophobicContact CG2-CD2 3.79Å; C21-L55 HydrophobicContact CB-CD1 3.82Å; L24-L55 HydrophobicContact CD1-CD1 4.31Å; L24-L55 HydrophobicContact CD1-CD2 3.78Å; L24-L55 HydrophobicContact CD1-CG 4.48Å; N43-L55 WeakPolarHBondContact CA-O 3.43Å; L44-L55 HydrophobicContact CB-CB 4.35Å; L44-L55 PolarHBondContact N-O 3.09Å; L44-L55 PolarHBondContact O-N 2.81Å; L46-L55 HydrophobicContact CD1-CD1 3.83Å; L46-L55 HydrophobicContact CD1-CG 4.26Å; L46-L55 HydrophobicContact CG-CD1 4.38Å; I53-L55 HydrophobicContact CG2-CD2 3.7Å; I53-L55 HydrophobicContact CG2-CG 4.48Å
56N85.6Confident74.3Confident2 Ų256.9 Ų56.91%0.01130%0.301CS..EExtended strand (participates in β ladder)trans-114.3126.9178.9-63.1-106.9000108.3R11 F12 T14 N43 M54 I58R11-N56 PolarHBondContact NH2-OD1 3.32Å; F12-N56 PolarHBondContact O-N 3.05Å; T14-N56 PolarHBondContact N-O 3.1Å; T14-N56 PolarHBondContact OG1-O 2.93Å; N43-N56 PolarHBondContact OD1-OD1 2.96Å; M54-N56 WeakPolarHBondContact CE-OD1 3.09Å; M54-N56 PolarHBondContact O-ND2 2.98Å; N56-I58 HydrophobicContact CB-CD1 4.49Å; N56-I58 HydrophobicContact CB-CG1 4.03Å
57K76.4Confident72.1Confident79 Ų7958.8 Ų58.834%0.34331%0.314SS..  trans-91.697.9164.5-171.8178.9-176.9179.10107.9L17 I42 Q59L17-K57 HydrophobicContact CB-CB 4.21Å; L17-K57 HydrophobicContact CD1-CB 4.34Å; L17-K57 HydrophobicContact CD2-CB 4.2Å; I42-K57 HydrophobicContact CG2-CB 4.11Å; I42-K57 HydrophobicContact CG2-CD 4.45Å; I42-K57 PolarHBondContact O-N 3.42Å; K57-Q59 PolarHBondContact O-N 3.04Å
58I63.8Low70.2Confident40 Ų4055.8 Ų55.821%0.20530%0.301CS..  trans-85.5107-178.4-55.1170.9000107.5A13 N56 C78 T79 F85A13-I58 HydrophobicContact CB-CD1 4.09Å; N56-I58 HydrophobicContact CB-CD1 4.49Å; N56-I58 HydrophobicContact CB-CG1 4.03Å; I58-C78 HydrophobicContact CD1-CB 3.25Å; I58-T79 HydrophobicContact CB-CG2 4.19Å; I58-T79 HydrophobicContact CG2-CG2 3.56Å; I58-F85 HydrophobicContact CD1-CE1 4.46Å; I58-F85 HydrophobicContact CD1-CZ 4.46Å
59Q60.6Low68Low81 Ų8163.1 Ų63.138%0.37933%0.332SS..  trans-95.3146.2164.8-68-177.1-14.500108.2S40 K57 L61S40-Q59 PolarHBondContact OG-OE1 3.14Å; K57-Q59 PolarHBondContact O-N 3.04Å; Q59-L61 PolarHBondContact O-N 2.9Å
60T53.9Low66.3Low110 Ų11059 Ų5968%0.67531%0.31SS*.  trans-56.9108.6176-350000108.8S62T60-S62 PolarHBondContact O-N 3.24Å
61L48Very low64.4Low47 Ų4754.1 Ų54.125%0.24629%0.287CS..  trans-80.8116.9-174.5-79.3158.6000110E41 Q59 S63 H71E41-L61 HydrophobicContact CG-CD2 3.89Å; E41-L61 WeakPolarHBondContact OE1-CD1 3.15Å; E41-L61 WeakPolarHBondContact OE1-CD2 3.24Å; Q59-L61 PolarHBondContact O-N 2.9Å; L61-S63 VanDerWaalsContact C-N 3.34Å; L61-H71 HydrophobicContact CD1-CB 4.27Å
62S43.8Very low62.1Low126 Ų12656.6 Ų56.688%0.88131%0.305SS*.  trans-887.1172.962.40000113.7T60T60-S62 PolarHBondContact O-N 3.24Å
63S42.3Very low59.9Low80 Ų8062.1 Ų62.156%0.55933%0.329SS*.SBendtrans-153.1136.6-177.264.70000115.9L61 Y65L61-S63 VanDerWaalsContact C-N 3.34Å; S63-Y65 VanDerWaalsContact C-N 3.32Å; S63-Y65 PolarHBondContact O-N 2.85Å
64V41.3Very low58.1Low112 Ų11262.4 Ų62.468%0.67933%0.331SS*.SBendtrans-77.737.1-160.8-1770000115.1
65Y44.8Very low56.3Low182 Ų18262.5 Ų62.571%0.71433%0.332SS*.  trans-134.755.1-178.1-78.4-82.5000114R38 S63R38-Y65 PolarHBondContact NH1-O 3.47Å; S63-Y65 VanDerWaalsContact C-N 3.32Å; S63-Y65 PolarHBondContact O-N 2.85Å
66H49.6Very low54.6Low22 Ų2267.6 Ų67.610%0.10236%0.359CS..  trans-75.9141.5158.3-165.7-102.6000108.8E41 F68 H71E41-H66 IonicContact OE1-CD2 3.78Å; E41-H66 PolarHBondContact OE1-CD2 3.22Å; E41-H66 IonicContact OE2-CD2 2.83Å; E41-H66 PolarHBondContact OE2-CD2 3.15Å; H66-F68 WeakPolarHBondContact CB-O 3.41Å; H66-F68 AromaticContact CE1-CD2 3.55Å; H66-F68 WeakPolarHBondContact ND1-CA 3.45Å; H66-F68 WeakPolarHBondContact ND1-CB 3.49Å; H66-F68 AromaticContact ND1-CD2 3.9Å; H66-F68 PolarHBondContact ND1-N 3.41Å; H66-F68 PolarHBondContact ND1-O 2.95Å; H66-F68 PolarHBondContact O-N 2.84Å; H66-F68 VanDerWaalsContact O-N 3.14Å; H66-H71 HydrophobicContact CB-CB 4.14Å; H66-H71 AromaticContact CD2-CD2 3.48Å; H66-H71 PolarHBondContact CD2-CD2 3.19Å; H66-H71 VanDerWaalsContact CD2-CD2 3.48Å; H66-H71 AromaticContact CD2-CG 3.88Å; H66-H71 AromaticContact CE1-CD2 3.04Å; H66-H71 PolarHBondContact CE1-CD2 2.96Å; H66-H71 AromaticContact CE1-CE1 3.51Å; H66-H71 AromaticContact CE1-CG 3.39Å; H66-H71 AromaticContact CE1-ND1 3.68Å; H66-H71 AromaticContact CE1-NE2 3.14Å; H66-H71 PolarHBondContact CE1-NE2 2.9Å; H66-H71 AromaticContact CG-CD2 3.85Å; H66-H71 AromaticContact CG-CG 3.78Å; H66-H71 AromaticContact ND1-CD2 3.59Å; H66-H71 AromaticContact ND1-CG 3.46Å; H66-H71 AromaticContact ND1-ND1 3.82Å; H66-H71 AromaticContact ND1-NE2 3.99Å; H66-H71 AromaticContact NE2-CD2 2.99Å; H66-H71 PolarHBondContact NE2-CD2 3.48Å; H66-H71 AromaticContact NE2-CG 3.69Å; H66-H71 AromaticContact NE2-NE2 3.36Å; H66-H71 PolarHBondContact NE2-NE2 2.89Å
67P48.5Very low53.4Low41 Ų4170.7 Ų70.727%0.26637%0.371SS..SBendtrans-53.6-34.1172.119.5-29.8000110.6F36 Y117F36-P67 HydrophobicContact CE1-CG 4.31Å; F36-P67 HydrophobicContact CE2-CG 4.19Å; F36-P67 HydrophobicContact CZ-CG 3.7Å; P67-Y117 WeakPolarHBondContact O-CE1 3.32Å; P67-Y117 VanDerWaalsContact O-CZ 3.27Å; P67-Y117 PolarHBondContact O-OH 3.09Å
68F54.1Low52.8Low10 Ų1067 Ų674%0.04436%0.355CS..SBendtrans-103.9101.8172.8-47.1-81.5000111.2H66 Y70 H71 Y117 L126H66-F68 WeakPolarHBondContact CB-O 3.41Å; H66-F68 AromaticContact CE1-CD2 3.55Å; H66-F68 WeakPolarHBondContact ND1-CA 3.45Å; H66-F68 WeakPolarHBondContact ND1-CB 3.49Å; H66-F68 AromaticContact ND1-CD2 3.9Å; H66-F68 PolarHBondContact ND1-N 3.41Å; H66-F68 PolarHBondContact ND1-O 2.95Å; H66-F68 PolarHBondContact O-N 2.84Å; H66-F68 VanDerWaalsContact O-N 3.14Å; F68-Y70 HydrophobicContact CB-CD1 3.6Å; F68-Y70 HydrophobicContact CB-CE1 3.22Å; F68-Y70 HydrophobicContact CD1-CE1 4.43Å; F68-Y70 HydrophobicContact CG-CE1 4.03Å; F68-Y70 PolarHBondContact O-N 3.49Å; F68-H71 PolarHBondContact O-N 3.28Å; F68-Y117 WeakPolarHBondContact CA-OH 3.43Å; F68-Y117 HydrophobicContact CD1-CD2 4.05Å; F68-Y117 AromaticContact CD1-CE1 3.99Å; F68-Y117 HydrophobicContact CD1-CE1 3.99Å; F68-Y117 AromaticContact CD1-CE2 3.36Å; F68-Y117 HydrophobicContact CD1-CE2 3.36Å; F68-Y117 AromaticContact CD1-CZ 3.31Å; F68-Y117 WeakPolarHBondContact CD1-OH 3.26Å; F68-Y117 HydrophobicContact CE1-CD1 4.13Å; F68-Y117 AromaticContact CE1-CD2 3.53Å; F68-Y117 HydrophobicContact CE1-CD2 3.53Å; F68-Y117 HydrophobicContact CE1-CE1 4Å; F68-Y117 AromaticContact CE1-CE2 3.35Å; F68-Y117 HydrophobicContact CE1-CE2 3.35Å; F68-Y117 AromaticContact CE1-CG 3.9Å; F68-Y117 HydrophobicContact CE1-CG 3.9Å; F68-Y117 AromaticContact CE1-CZ 3.59Å; F68-L126 HydrophobicContact CD1-CD1 4.1Å; F68-L126 HydrophobicContact CD1-CD2 3.9Å; F68-L126 HydrophobicContact CE1-CD1 3.67Å; F68-L126 HydrophobicContact CE1-CD2 4.26Å; F68-L126 HydrophobicContact CE1-CG 4.39Å; F68-L126 HydrophobicContact CZ-CD1 4.28Å
69K49.9Very low52.7Low156 Ų15667.3 Ų67.368%0.67836%0.358SS*.THydrogen-bonded Turntrans-48.2-21.2-170.7-156.2179.2-179.5-171.60115.8L112K69-L112 HydrophobicContact CB-CD1 4.02Å
70Y57.2Low52.9Low5 Ų570.7 Ų70.72%0.0237%0.374CS..THydrogen-bonded Turntrans-81.1-11.7-173.269.2-99.1000115.5R11 F68 S72 E73 I74 L112 L126 V128R11-Y70 PolarHBondContact NH1-OH 3.36Å; F68-Y70 HydrophobicContact CB-CD1 3.6Å; F68-Y70 HydrophobicContact CB-CE1 3.22Å; F68-Y70 HydrophobicContact CD1-CE1 4.43Å; F68-Y70 HydrophobicContact CG-CE1 4.03Å; F68-Y70 PolarHBondContact O-N 3.49Å; Y70-S72 VanDerWaalsContact C-N 3.25Å; Y70-S72 PolarHBondContact O-N 2.81Å; Y70-E73 PolarHBondContact O-N 2.95Å; Y70-I74 HydrophobicContact CD2-CD1 3.17Å; Y70-I74 HydrophobicContact CD2-CG1 4.03Å; Y70-I74 HydrophobicContact CE2-CD1 3.43Å; Y70-I74 VanDerWaalsContact CE2-CD1 3.43Å; Y70-I74 HydrophobicContact CG-CD1 4.36Å; Y70-I74 PolarHBondContact O-N 2.74Å; Y70-L112 HydrophobicContact CD1-CB 3.75Å; Y70-L112 HydrophobicContact CD1-CD1 4.14Å; Y70-L112 HydrophobicContact CD1-CD2 3.7Å; Y70-L112 HydrophobicContact CD1-CG 4.04Å; Y70-L112 HydrophobicContact CE1-CD2 3.99Å; Y70-L112 HydrophobicContact CG-CB 4.28Å; Y70-L126 HydrophobicContact CE1-CD2 4.11Å; Y70-V128 HydrophobicContact CD1-CB 4.36Å; Y70-V128 HydrophobicContact CD1-CG2 3.58Å; Y70-V128 HydrophobicContact CD2-CG1 4.49Å; Y70-V128 HydrophobicContact CD2-CG2 4.16Å; Y70-V128 HydrophobicContact CE1-CB 4.42Å; Y70-V128 HydrophobicContact CE1-CG2 3.24Å; Y70-V128 HydrophobicContact CE2-CG2 3.9Å; Y70-V128 HydrophobicContact CG-CB 4.43Å; Y70-V128 HydrophobicContact CG-CG2 4Å; Y70-V128 VanDerWaalsContact CZ-CG2 3.44Å
71H53.5Low53.7Low22 Ų2266.8 Ų66.810%0.10235%0.347CS..Hα-helixtrans-61.4-32.1-175.9-87.224.4000113.7R11 L61 H66 F68 E73 I74 S75R11-H71 PolarHBondContact NH2-CE1 2.97Å; R11-H71 PolarHBondContact NH2-NE2 3.26Å; L61-H71 HydrophobicContact CD1-CB 4.27Å; H66-H71 HydrophobicContact CB-CB 4.14Å; H66-H71 AromaticContact CD2-CD2 3.48Å; H66-H71 PolarHBondContact CD2-CD2 3.19Å; H66-H71 VanDerWaalsContact CD2-CD2 3.48Å; H66-H71 AromaticContact CD2-CG 3.88Å; H66-H71 AromaticContact CE1-CD2 3.04Å; H66-H71 PolarHBondContact CE1-CD2 2.96Å; H66-H71 AromaticContact CE1-CE1 3.51Å; H66-H71 AromaticContact CE1-CG 3.39Å; H66-H71 AromaticContact CE1-ND1 3.68Å; H66-H71 AromaticContact CE1-NE2 3.14Å; H66-H71 PolarHBondContact CE1-NE2 2.9Å; H66-H71 AromaticContact CG-CD2 3.85Å; H66-H71 AromaticContact CG-CG 3.78Å; H66-H71 AromaticContact ND1-CD2 3.59Å; H66-H71 AromaticContact ND1-CG 3.46Å; H66-H71 AromaticContact ND1-ND1 3.82Å; H66-H71 AromaticContact ND1-NE2 3.99Å; H66-H71 AromaticContact NE2-CD2 2.99Å; H66-H71 PolarHBondContact NE2-CD2 3.48Å; H66-H71 AromaticContact NE2-CG 3.69Å; H66-H71 AromaticContact NE2-NE2 3.36Å; H66-H71 PolarHBondContact NE2-NE2 2.89Å; F68-H71 PolarHBondContact O-N 3.28Å; H71-E73 VanDerWaalsContact C-N 3.29Å; H71-E73 PolarHBondContact O-N 2.83Å; H71-I74 PolarHBondContact O-N 3.4Å; H71-S75 VanDerWaalsContact O-CB 3.27Å; H71-S75 WeakPolarHBondContact O-CB 3.4Å; H71-S75 PolarHBondContact O-N 2.87Å
72S48Very low55.4Low53 Ų5365.7 Ų65.737%0.37134%0.342SS..Hα-helixtrans-70.5-22175.152.60000113.9Y70 S75Y70-S72 VanDerWaalsContact C-N 3.25Å; Y70-S72 PolarHBondContact O-N 2.81Å; S72-S75 PolarHBondContact O-OG 3.18Å; S72-S75 VanDerWaalsContact O-OG 3.11Å
73E51.6Low57.5Low133 Ų13359.7 Ų59.762%0.62130%0.3SS*.Hα-helixtrans-88.1-25.3179-66.2173.1-175.800111.7Y70 H71Y70-E73 PolarHBondContact O-N 2.95Å; H71-E73 VanDerWaalsContact C-N 3.29Å; H71-E73 PolarHBondContact O-N 2.83Å
74I60.2Low59.9Low7 Ų756.3 Ų56.34%0.03628%0.275CS..Hα-helixtrans-86.7-26.3174.4-63.1179.4000111.6Y70 H71 D76 W77 C78 F85 L111 V128 L137Y70-I74 HydrophobicContact CD2-CD1 3.17Å; Y70-I74 HydrophobicContact CD2-CG1 4.03Å; Y70-I74 HydrophobicContact CE2-CD1 3.43Å; Y70-I74 VanDerWaalsContact CE2-CD1 3.43Å; Y70-I74 HydrophobicContact CG-CD1 4.36Å; Y70-I74 PolarHBondContact O-N 2.74Å; H71-I74 PolarHBondContact O-N 3.4Å; I74-D76 VanDerWaalsContact C-N 3.33Å; I74-D76 PolarHBondContact O-N 3.13Å; I74-W77 PolarHBondContact O-N 3.07Å; I74-W77 PolarHBondContact O-NE1 2.7Å; I74-C78 HydrophobicContact CG2-CB 4.25Å; I74-C78 WeakPolarHBondContact CG2-SG 3.13Å; I74-C78 PolarHBondContact O-N 3.44Å; I74-F85 HydrophobicContact CG2-CD2 4.46Å; I74-F85 HydrophobicContact CG2-CE2 4.15Å; I74-L111 HydrophobicContact CG1-CD1 4.35Å; I74-V128 HydrophobicContact CD1-CG1 4.48Å; I74-L137 HydrophobicContact CD1-CD1 3.28Å; I74-L137 HydrophobicContact CG1-CD1 3.77Å; I74-L137 HydrophobicContact CG2-CD1 4.1Å
75S55.8Low62.3Low5 Ų551.2 Ų51.24%0.03524%0.244CC..Hα-helixtrans-58.1-40.4-163.753.80000114.1H71 S72 W77 C78 T79H71-S75 VanDerWaalsContact O-CB 3.27Å; H71-S75 WeakPolarHBondContact O-CB 3.4Å; H71-S75 PolarHBondContact O-N 2.87Å; S72-S75 PolarHBondContact O-OG 3.18Å; S72-S75 VanDerWaalsContact O-OG 3.11Å; S75-W77 PolarHBondContact O-N 2.91Å; S75-C78 PolarHBondContact O-N 2.82Å; S75-T79 WeakPolarHBondContact O-CB 3.34Å; S75-T79 WeakPolarHBondContact O-CG2 2.97Å; S75-T79 PolarHBondContact O-N 2.77Å; S75-T79 PolarHBondContact O-OG1 3.35Å
76D57.4Low64.6Low107 Ų10742.6 Ų42.657%0.57221%0.21SC*.Hα-helixtrans-67.3-38.2-167.9-71.20.9000112.6I74 T79I74-D76 VanDerWaalsContact C-N 3.33Å; I74-D76 PolarHBondContact O-N 3.13Å; D76-T79 PolarHBondContact O-OG1 3.38Å
77W61.6Low66.9Low67 Ų6741.5 Ų41.525%0.25421%0.206SC..Hα-helixtrans-81.3-37.3178.480.7-89.5000112.2I74 S75 T79 R81 F85 N135 L137I74-W77 PolarHBondContact O-N 3.07Å; I74-W77 PolarHBondContact O-NE1 2.7Å; S75-W77 PolarHBondContact O-N 2.91Å; W77-T79 PolarHBondContact O-N 3.09Å; W77-R81 VanDerWaalsContact CE3-CD 3.42Å; W77-R81 HydrophobicContact CE3-CG 4.35Å; W77-R81 HydrophobicContact CZ3-CG 4.44Å; W77-F85 HydrophobicContact CH2-CB 3.54Å; W77-F85 HydrophobicContact CH2-CD2 4.5Å; W77-F85 HydrophobicContact CH2-CG 4.43Å; W77-F85 HydrophobicContact CZ2-CB 4.07Å; W77-F85 HydrophobicContact CZ2-CD2 4.18Å; W77-F85 HydrophobicContact CZ3-CB 4.3Å; W77-N135 HydrophobicContact CD2-CB 4.38Å; W77-N135 HydrophobicContact CE3-CB 3.95Å; W77-N135 HydrophobicContact CH2-CB 3.58Å; W77-N135 WeakPolarHBondContact CH2-O 3.43Å; W77-N135 HydrophobicContact CZ2-CB 4.09Å; W77-N135 WeakPolarHBondContact CZ2-O 3.32Å; W77-N135 HydrophobicContact CZ3-CB 3.51Å; W77-L137 HydrophobicContact CZ2-CD1 4.24Å; W77-L137 HydrophobicContact CZ2-CG 4.34Å
78C63Low69.2Low1 Ų139.6 Ų39.61%0.00719%0.193CC..Hα-helixtrans-72.5-27-179-73.30000113.6A13 I58 I74 S75 Q80 R81 F85A13-C78 HydrophobicContact CB-CB 4.22Å; I58-C78 HydrophobicContact CD1-CB 3.25Å; I74-C78 HydrophobicContact CG2-CB 4.25Å; I74-C78 WeakPolarHBondContact CG2-SG 3.13Å; I74-C78 PolarHBondContact O-N 3.44Å; S75-C78 PolarHBondContact O-N 2.82Å; C78-Q80 PolarHBondContact O-N 2.83Å; C78-Q80 VanDerWaalsContact O-N 3.08Å; C78-R81 PolarHBondContact O-N 2.88Å; C78-R81 VanDerWaalsContact O-N 3.09Å; C78-F85 VanDerWaalsContact SG-CD2 3.54Å
79T60.8Low71.3Confident47 Ų4739.1 Ų39.129%0.28819%0.191SC..THydrogen-bonded Turntrans-59-21.4178.452.80000113.8I58 S75 D76 W77I58-T79 HydrophobicContact CB-CG2 4.19Å; I58-T79 HydrophobicContact CG2-CG2 3.56Å; S75-T79 WeakPolarHBondContact O-CB 3.34Å; S75-T79 WeakPolarHBondContact O-CG2 2.97Å; S75-T79 PolarHBondContact O-N 2.77Å; S75-T79 PolarHBondContact O-OG1 3.35Å; D76-T79 PolarHBondContact O-OG1 3.38Å; W77-T79 PolarHBondContact O-N 3.09Å
80Q65.9Low73.6Confident151 Ų15133.8 Ų33.871%0.70617%0.169SC*.THydrogen-bonded Turntrans-93.1-10.7-178.6-57.8-172.513.500113.5K15 C78K15-Q80 WeakPolarHBondContact CE-O 3.31Å; K15-Q80 PolarHBondContact NZ-O 3.02Å; C78-Q80 PolarHBondContact O-N 2.83Å; C78-Q80 VanDerWaalsContact O-N 3.08Å
81R71.1Confident75.5Confident28 Ų2833.6 Ų33.611%0.10617%0.168CC..  trans-94.5161.8-172.4-62.8-163.663.7103.819.8112.8A13 W77 C78 N275 D364A13-R81 HydrophobicContact CB-CB 4.27Å; W77-R81 VanDerWaalsContact CE3-CD 3.42Å; W77-R81 HydrophobicContact CE3-CG 4.35Å; W77-R81 HydrophobicContact CZ3-CG 4.44Å; C78-R81 PolarHBondContact O-N 2.88Å; C78-R81 VanDerWaalsContact O-N 3.09Å; R81-N275 PolarHBondContact NH1-O 3.26Å; R81-N275 PolarHBondContact NH2-OD1 3.12Å; R81-D364 IonicContact CZ-OD2 2.81Å; R81-D364 IonicContact NE-OD2 3.45Å; R81-D364 PolarHBondContact NE-OD2 3.33Å; R81-D364 IonicContact NH2-OD2 3.46Å; R81-D364 PolarHBondContact NH2-OD2 2.91Å
82D82.1Confident77.6Confident25 Ų2535 Ų3513%0.13418%0.183CC..  trans-144.582.2172.9-158.325.5000108.1A13 T14 K15 F361 D364A13-D82 CarbonylContact O-C 3.5Å; A13-D82 WeakPolarHBondContact O-CA 3.36Å; T14-D82 WeakPolarHBondContact CA-OD1 3.44Å; K15-D82 HydrophobicContact CD-CB 3.97Å; K15-D82 HydrophobicContact CG-CB 4.06Å; K15-D82 PolarHBondContact N-OD1 2.91Å; D82-F361 HydrophobicContact CB-CB 4.29Å; D82-F361 WeakPolarHBondContact O-CB 3.49Å; D82-F361 WeakPolarHBondContact O-CD2 3.2Å; D82-F361 WeakPolarHBondContact O-CG 3.3Å; D82-D364 VanDerWaalsContact C-CG 3.45Å; D82-D364 PolarHBondContact N-OD1 2.7Å; D82-D364 PolarHBondContact N-OD2 3.34Å; D82-D364 VanDerWaalsContact N-OD2 3.09Å; D82-D364 VanDerWaalsContact O-CB 3.24Å; D82-D364 WeakPolarHBondContact O-CB 3.43Å
83G89Confident79.9Confident0 Ų035.7 Ų35.70%018%0.182CC..EExtended strand (participates in β ladder)trans165.5177.7-165.900000113.8F12 A13 D364F12-G83 WeakPolarHBondContact CA-O 2.97Å; A13-G83 PolarHBondContact N-O 2.99Å; A13-G83 PolarHBondContact O-N 3.2Å; G83-D364 PolarHBondContact N-OD2 3.01Å
84P92.8Very high82.1Confident8 Ų829.4 Ų29.45%0.05215%0.153CC..EExtended strand (participates in β ladder)trans-70.1141.7179.930.2-35.3000112V10 R11 F12 L280 F366V10-P84 HydrophobicContact CG1-CB 3.84Å; R11-P84 WeakPolarHBondContact O-CA 3.49Å; F12-P84 HydrophobicContact CD1-CB 4.35Å; F12-P84 HydrophobicContact CD2-CB 4.48Å; F12-P84 HydrophobicContact CE1-CB 4.11Å; F12-P84 HydrophobicContact CE1-CG 4.23Å; F12-P84 HydrophobicContact CE2-CB 4.26Å; F12-P84 HydrophobicContact CZ-CB 4.07Å; F12-P84 HydrophobicContact CZ-CG 4.44Å; P84-L280 HydrophobicContact CB-CB 4.29Å; P84-L280 HydrophobicContact CB-CD1 3.78Å; P84-L280 HydrophobicContact CB-CG 4.45Å; P84-L280 HydrophobicContact CG-CB 3.92Å; P84-L280 HydrophobicContact CG-CD1 4.08Å; P84-L280 HydrophobicContact CG-CD2 4.07Å; P84-L280 HydrophobicContact CG-CG 4.23Å; P84-F366 HydrophobicContact CG-CD2 3.48Å; P84-F366 VanDerWaalsContact CG-CD2 3.48Å; P84-F366 HydrophobicContact CG-CE2 3.75Å; P84-F366 HydrophobicContact CG-CG 3.96Å; P84-F366 HydrophobicContact CG-CZ 4.41Å
85F90.8Very high83.9Confident6 Ų634.6 Ų34.63%0.02618%0.177CC..EExtended strand (participates in β ladder)trans-138.1-13.9-179.573.6-90.6000114.3R11 A13 I58 I74 W77 C78 L137R11-F85 HydrophobicContact CB-CE1 3.93Å; R11-F85 HydrophobicContact CB-CZ 3.99Å; R11-F85 WeakPolarHBondContact O-CD1 3.34Å; R11-F85 PolarHBondContact O-N 3.33Å; A13-F85 HydrophobicContact CB-CD1 3.73Å; A13-F85 HydrophobicContact CB-CE1 4.02Å; A13-F85 VanDerWaalsContact N-CD1 3.26Å; I58-F85 HydrophobicContact CD1-CE1 4.46Å; I58-F85 HydrophobicContact CD1-CZ 4.46Å; I74-F85 HydrophobicContact CG2-CD2 4.46Å; I74-F85 HydrophobicContact CG2-CE2 4.15Å; W77-F85 HydrophobicContact CH2-CB 3.54Å; W77-F85 HydrophobicContact CH2-CD2 4.5Å; W77-F85 HydrophobicContact CH2-CG 4.43Å; W77-F85 HydrophobicContact CZ2-CB 4.07Å; W77-F85 HydrophobicContact CZ2-CD2 4.18Å; W77-F85 HydrophobicContact CZ3-CB 4.3Å; C78-F85 VanDerWaalsContact SG-CD2 3.54Å; F85-L137 HydrophobicContact CD2-CD1 4.38Å; F85-L137 PolarHBondContact O-N 2.83Å
86D93.9Very high85.8Confident0 Ų037 Ų370%019%0.188CC..EExtended strand (participates in β ladder)trans-144132.8-179.8175.54.7000109.4R11 L137 H138 T139R11-D86 HydrophobicContact CB-CB 4.06Å; R11-D86 VanDerWaalsContact CD-OD2 3.23Å; R11-D86 WeakPolarHBondContact CD-OD2 3.14Å; R11-D86 HydrophobicContact CG-CB 4.28Å; R11-D86 PolarHBondContact N-O 2.83Å; R11-D86 IonicContact NH1-OD2 3.2Å; R11-D86 PolarHBondContact NH1-OD2 2.87Å; D86-L137 WeakPolarHBondContact CA-O 3.47Å; D86-L137 HydrophobicContact CB-CB 4.02Å; D86-H138 WeakPolarHBondContact OD1-CA 3.29Å; D86-T139 PolarHBondContact OD1-N 3.47Å; D86-T139 WeakPolarHBondContact OD2-CB 3.35Å; D86-T139 PolarHBondContact OD2-OG1 3.1Å
87I97.6Very high87.8Confident0 Ų031.9 Ų31.90%016%0.161CC..EExtended strand (participates in β ladder)trans-107.2105.7168.9-55.6166.3000106.4V7 V10 L89 L136 L137 H138 I186 I188 F254 L280V7-I87 HydrophobicContact CG1-CG2 3.91Å; V7-I87 HydrophobicContact CG2-CG2 4.35Å; V10-I87 HydrophobicContact CG2-CG2 4.46Å; I87-L89 HydrophobicContact CG2-CD2 3.79Å; I87-L136 HydrophobicContact CD1-CD1 4.37Å; I87-L136 HydrophobicContact CD1-CD2 4Å; I87-L136 HydrophobicContact CG1-CD1 4.25Å; I87-L137 PolarHBondContact N-O 3.11Å; I87-L137 VanDerWaalsContact N-O 3.07Å; I87-H138 WeakPolarHBondContact O-CA 3.33Å; I87-H138 PolarHBondContact O-ND1 2.87Å; I87-I186 HydrophobicContact CD1-CD1 4.09Å; I87-I186 HydrophobicContact CD1-CG2 3.81Å; I87-I186 HydrophobicContact CG1-CD1 4.3Å; I87-I186 HydrophobicContact CG2-CD1 3.85Å; I87-I188 HydrophobicContact CD1-CD1 4.31Å; I87-F254 HydrophobicContact CD1-CE2 4.12Å; I87-F254 HydrophobicContact CD1-CZ 4.4Å; I87-F254 HydrophobicContact CG2-CZ 4.03Å; I87-L280 HydrophobicContact CD1-CD1 3.89Å; I87-L280 HydrophobicContact CD1-CG 4.41Å; I87-L280 HydrophobicContact CG1-CD1 3.77Å
88A97.6Very high89.4Confident0 Ų028.9 Ų28.90%015%0.15CC..EExtended strand (participates in β ladder)trans-75.3131.617700000110.1H8 H9 T139 I141H8-A88 HydrophobicContact CB-CB 4.23Å; H8-A88 PolarHBondContact N-O 3.38Å; H9-A88 WeakPolarHBondContact CE1-CB 3.41Å; H9-A88 WeakPolarHBondContact NE2-CB 3.25Å; H9-A88 WeakPolarHBondContact O-CB 3.49Å; H9-A88 PolarHBondContact O-N 3.15Å; A88-T139 CarbonylContact C-O 3.56Å; A88-T139 WeakPolarHBondContact CA-O 3.35Å; A88-T139 HydrophobicContact CB-CG2 4.47Å; A88-I141 HydrophobicContact CB-CD1 4.23Å
89L98.1Very high91Very high0 Ų032.8 Ų32.80%017%0.168CC..EExtended strand (participates in β ladder)trans-120.6124.4-172.1-61.7179000110L4 V7 I87 V91 H138 T139 I140 I141 F206 F254L4-L89 HydrophobicContact CD1-CB 3.7Å; L4-L89 HydrophobicContact CD1-CD1 4.29Å; L4-L89 HydrophobicContact CD1-CD2 3.82Å; L4-L89 HydrophobicContact CD1-CG 4.12Å; V7-L89 HydrophobicContact CG2-CD2 4.07Å; I87-L89 HydrophobicContact CG2-CD2 3.79Å; L89-V91 HydrophobicContact CB-CG1 4.42Å; L89-H138 HydrophobicContact CD1-CB 4.28Å; L89-T139 PolarHBondContact N-O 2.81Å; L89-I140 HydrophobicContact CB-CD1 4.08Å; L89-I140 HydrophobicContact CD1-CD1 4.22Å; L89-I141 PolarHBondContact O-N 3.28Å; L89-F206 HydrophobicContact CD1-CD1 4.29Å; L89-F206 HydrophobicContact CD1-CD2 4.33Å; L89-F206 HydrophobicContact CD1-CE1 3.7Å; L89-F206 HydrophobicContact CD1-CE2 3.71Å; L89-F206 HydrophobicContact CD1-CZ 3.38Å; L89-F254 HydrophobicContact CD2-CZ 3.95Å
90E97.4Very high92.8Very high45 Ų4533.2 Ų33.221%0.2116%0.164CC..EExtended strand (participates in β ladder)trans-79.9127.4170.7-165.8-170.4157.100109.3K5 N6 H8 I141K5-E90 HydrophobicContact CB-CB 4.43Å; K5-E90 HydrophobicContact CB-CG 4.45Å; K5-E90 WeakPolarHBondContact CB-O 3.31Å; K5-E90 HydrophobicContact CD-CG 4.23Å; K5-E90 PolarHBondContact N-O 3.19Å; N6-E90 PolarHBondContact N-O 2.76Å; N6-E90 PolarHBondContact O-N 2.85Å; H8-E90 HydrophobicContact CB-CB 4.39Å; E90-I141 CarbonylContact C-O 3.57Å; E90-I141 VanDerWaalsContact CA-O 3.29Å; E90-I141 WeakPolarHBondContact CA-O 3.02Å
91V97.8Very high94.2Very high0 Ų026 Ų260%013%0.131CC..EExtended strand (participates in β ladder)trans-127.8165.7-175.1-58.30000112.8L3 K5 L89 V94 V97 I140 I141 F206L3-V91 CarbonylContact O-C 3.32Å; L3-V91 WeakPolarHBondContact O-CA 3.19Å; L3-V91 WeakPolarHBondContact O-CB 3.42Å; K5-V91 WeakPolarHBondContact CE-O 3.01Å; K5-V91 PolarHBondContact NZ-O 3.28Å; L89-V91 HydrophobicContact CB-CG1 4.42Å; V91-V94 HydrophobicContact CG2-CG2 3.93Å; V91-V97 HydrophobicContact CB-CG2 4.33Å; V91-V97 HydrophobicContact CG1-CG2 4.16Å; V91-V97 HydrophobicContact CG2-CG2 4.33Å; V91-I140 HydrophobicContact CB-CG2 4.11Å; V91-I140 HydrophobicContact CG1-CG2 3.72Å; V91-I140 HydrophobicContact CG2-CG2 3.26Å; V91-I141 PolarHBondContact N-O 3.28Å; V91-F206 HydrophobicContact CG1-CD1 4.38Å; V91-F206 HydrophobicContact CG1-CE1 4.27Å
92A96.1Very high95.4Very high51 Ų5125.3 Ų25.342%0.42113%0.13SC..SBendtrans-76.4-30.3173.100000113.3L3L3-A92 HydrophobicContact CD2-CB 4.42Å; L3-A92 PolarHBondContact O-N 3.15Å
93D97.1Very high96Very high68 Ų6832.5 Ų32.536%0.36416%0.155SC..  trans-154.4113.9-177.7-171.7-28.9000110.3H95 E96 V97D93-H95 WeakPolarHBondContact OD1-CA 3.45Å; D93-H95 WeakPolarHBondContact OD1-CB 3.46Å; D93-H95 PolarHBondContact OD1-N 2.86Å; D93-E96 HydrophobicContact CB-CB 3.94Å; D93-E96 PolarHBondContact OD1-N 3.35Å; D93-E96 VanDerWaalsContact OD1-N 3.08Å; D93-V97 WeakPolarHBondContact O-CG2 3.41Å; D93-V97 PolarHBondContact O-N 3.37Å
94V97.8Very high96.1Very high2 Ų236.5 Ų36.51%0.01217%0.173CC..Hα-helixtrans-71.3-34.9-179.8-176.40000111.7V91 V97 C98 P114 V125 I140 D142V91-V94 HydrophobicContact CG2-CG2 3.93Å; V94-V97 PolarHBondContact O-N 3.2Å; V94-C98 PolarHBondContact O-N 3.49Å; V94-C98 VanDerWaalsContact O-N 3.11Å; V94-C98 PolarHBondContact O-SG 3.1Å; V94-P114 HydrophobicContact CG1-CB 4.03Å; V94-P114 HydrophobicContact CG1-CG 4.14Å; V94-V125 HydrophobicContact CB-CB 4.46Å; V94-V125 HydrophobicContact CB-CG1 3.86Å; V94-V125 HydrophobicContact CG1-CG1 4.2Å; V94-V125 HydrophobicContact CG2-CB 4.02Å; V94-V125 HydrophobicContact CG2-CG1 3.96Å; V94-V125 WeakPolarHBondContact CG2-O 3.26Å; V94-I140 HydrophobicContact CB-CG2 4.39Å; V94-I140 HydrophobicContact CG1-CB 4.31Å; V94-I140 HydrophobicContact CG1-CG2 4.11Å; V94-I140 HydrophobicContact CG2-CG2 4.24Å; V94-D142 HydrophobicContact CG2-CB 3.79Å
95H97.5Very high95.9Very high116 Ų11638.3 Ų38.354%0.53719%0.186SC..Hα-helixtrans-67.8-46.3-179.2-72-89.5000110.9D93 V97 C98 E99 P114D93-H95 WeakPolarHBondContact OD1-CA 3.45Å; D93-H95 WeakPolarHBondContact OD1-CB 3.46Å; D93-H95 PolarHBondContact OD1-N 2.86Å; H95-V97 VanDerWaalsContact C-N 3.31Å; H95-V97 PolarHBondContact O-N 3.11Å; H95-C98 PolarHBondContact O-N 3.16Å; H95-E99 PolarHBondContact O-N 3.35Å; H95-P114 HydrophobicContact CB-CG 4.49Å; H95-P114 VanDerWaalsContact CE1-CB 3.43Å; H95-P114 WeakPolarHBondContact CE1-CB 3.49Å
96E97.4Very high95.9Very high55 Ų5539.4 Ų39.426%0.25720%0.199SC..Hα-helixtrans-60.5-39.8177.2174.671.4-173.800111.5L3 D93 E99 R100L3-E96 HydrophobicContact CD1-CB 4.21Å; L3-E96 HydrophobicContact CD1-CG 3.51Å; L3-E96 HydrophobicContact CD2-CG 4.23Å; L3-E96 HydrophobicContact CG-CG 4.49Å; D93-E96 HydrophobicContact CB-CB 3.94Å; D93-E96 PolarHBondContact OD1-N 3.35Å; D93-E96 VanDerWaalsContact OD1-N 3.08Å; E96-E99 PolarHBondContact O-N 3.21Å; E96-R100 VanDerWaalsContact O-CG 3.3Å; E96-R100 WeakPolarHBondContact O-CG 3.19Å; E96-R100 PolarHBondContact O-N 2.97Å; E96-R100 IonicContact OE1-CZ 3.47Å; E96-R100 VanDerWaalsContact OE1-CZ 3.23Å; E96-R100 IonicContact OE1-NE 3.62Å; E96-R100 PolarHBondContact OE1-NE 2.91Å; E96-R100 IonicContact OE1-NH2 2.72Å; E96-R100 PolarHBondContact OE1-NH2 2.81Å
97V97.6Very high95.8Very high0 Ų046.4 Ų46.40%023%0.229CC..Hα-helixtrans-62.4-47175.5172.50000111.1L3 V91 D93 V94 H95 E99 R100 V101 I140 V205 F206L3-V97 HydrophobicContact CB-CG2 4.27Å; L3-V97 HydrophobicContact CD1-CG2 3.7Å; V91-V97 HydrophobicContact CB-CG2 4.33Å; V91-V97 HydrophobicContact CG1-CG2 4.16Å; V91-V97 HydrophobicContact CG2-CG2 4.33Å; D93-V97 WeakPolarHBondContact O-CG2 3.41Å; D93-V97 PolarHBondContact O-N 3.37Å; V94-V97 PolarHBondContact O-N 3.2Å; H95-V97 VanDerWaalsContact C-N 3.31Å; H95-V97 PolarHBondContact O-N 3.11Å; V97-E99 VanDerWaalsContact C-N 3.31Å; V97-E99 PolarHBondContact O-N 2.73Å; V97-R100 PolarHBondContact O-N 3.33Å; V97-V101 WeakPolarHBondContact O-CG2 3.27Å; V97-V101 PolarHBondContact O-N 2.77Å; V97-I140 HydrophobicContact CB-CG2 4.07Å; V97-I140 HydrophobicContact CG1-CD1 4.11Å; V97-I140 HydrophobicContact CG1-CG1 3.84Å; V97-I140 HydrophobicContact CG1-CG2 4.03Å; V97-I140 HydrophobicContact CG2-CG2 4.17Å; V97-V205 HydrophobicContact CG1-CG1 3.89Å; V97-F206 HydrophobicContact CG1-CE1 3.75Å; V97-F206 HydrophobicContact CG1-CZ 4.2Å; V97-F206 HydrophobicContact CG2-CD1 4.35Å; V97-F206 HydrophobicContact CG2-CE1 4.17Å
98C96.5Very high95.5Very high4 Ų453.3 Ų53.33%0.02727%0.266CS..Hα-helixtrans-61.7-40.4178.1-65.50000111.5V94 H95 R100 V101 S102 I110 P114V94-C98 PolarHBondContact O-N 3.49Å; V94-C98 VanDerWaalsContact O-N 3.11Å; V94-C98 PolarHBondContact O-SG 3.1Å; H95-C98 PolarHBondContact O-N 3.16Å; C98-R100 PolarHBondContact O-N 3.44Å; C98-V101 PolarHBondContact O-N 3.04Å; C98-S102 PolarHBondContact O-N 2.87Å; C98-S102 PolarHBondContact O-OG 2.81Å; C98-I110 HydrophobicContact CB-CD1 4.02Å; C98-I110 HydrophobicContact CB-CG1 4.42Å; C98-P114 HydrophobicContact CB-CG 4.13Å
99E96.6Very high95.2Very high82 Ų8255.1 Ų55.138%0.38328%0.276SS..Hα-helixtrans-63.1-40.2174.9-179.1169.6-155.200112.5H95 E96 V97 S102 R103H95-E99 PolarHBondContact O-N 3.35Å; E96-E99 PolarHBondContact O-N 3.21Å; V97-E99 VanDerWaalsContact C-N 3.31Å; V97-E99 PolarHBondContact O-N 2.73Å; E99-S102 PolarHBondContact O-N 3.19Å; E99-S102 PolarHBondContact O-OG 3.01Å; E99-R103 HydrophobicContact CG-CG 4.5Å; E99-R103 WeakPolarHBondContact O-CB 3.37Å; E99-R103 VanDerWaalsContact O-CG 3.26Å; E99-R103 WeakPolarHBondContact O-CG 3.37Å; E99-R103 PolarHBondContact O-N 3.17Å; E99-R103 IonicContact OE1-CZ 3.39Å; E99-R103 IonicContact OE1-NE 2.81Å; E99-R103 PolarHBondContact OE1-NE 3.16Å; E99-R103 IonicContact OE1-NH2 3.74Å; E99-R103 PolarHBondContact OE1-NH2 3.25Å; E99-R103 IonicContact OE2-NH2 3.59Å
100R97.1Very high94.9Very high56 Ų5656.1 Ų56.121%0.21128%0.281CS..Hα-helixtrans-65.6-40.2175.5-71.7173.2-178.7-165.210.2112.1L3 E96 V97 C98 F104 T204 V205L3-R100 VanDerWaalsContact CD1-CZ 3.42Å; E96-R100 VanDerWaalsContact O-CG 3.3Å; E96-R100 WeakPolarHBondContact O-CG 3.19Å; E96-R100 PolarHBondContact O-N 2.97Å; E96-R100 IonicContact OE1-CZ 3.47Å; E96-R100 VanDerWaalsContact OE1-CZ 3.23Å; E96-R100 IonicContact OE1-NE 3.62Å; E96-R100 PolarHBondContact OE1-NE 2.91Å; E96-R100 IonicContact OE1-NH2 2.72Å; E96-R100 PolarHBondContact OE1-NH2 2.81Å; V97-R100 PolarHBondContact O-N 3.33Å; C98-R100 PolarHBondContact O-N 3.44Å; R100-F104 WeakPolarHBondContact O-CB 3.35Å; R100-F104 PolarHBondContact O-N 2.91Å; R100-T204 WeakPolarHBondContact CD-O 3.38Å; R100-V205 WeakPolarHBondContact CD-O 3.24Å; R100-V205 PolarHBondContact NH1-O 2.78Å
101V96.6Very high94.6Very high0 Ų055.4 Ų55.40%028%0.279CS..Hα-helixtrans-63-46.3175.6170.50000111V97 C98 R103 F104 S105 N109 V129 W201 V205V97-V101 WeakPolarHBondContact O-CG2 3.27Å; V97-V101 PolarHBondContact O-N 2.77Å; C98-V101 PolarHBondContact O-N 3.04Å; V101-R103 PolarHBondContact O-N 2.93Å; V101-F104 PolarHBondContact O-N 3.04Å; V101-S105 PolarHBondContact O-N 3.04Å; V101-S105 PolarHBondContact O-OG 3.49Å; V101-N109 HydrophobicContact CG1-CB 3.9Å; V101-V129 HydrophobicContact CB-CG1 4.33Å; V101-V129 HydrophobicContact CG1-CB 4.18Å; V101-V129 HydrophobicContact CG1-CG1 4.24Å; V101-V129 HydrophobicContact CG2-CB 4.16Å; V101-V129 HydrophobicContact CG2-CG1 4.1Å; V101-V129 HydrophobicContact CG2-CG2 4.13Å; V101-W201 HydrophobicContact CG2-CZ2 4.2Å; V101-V205 HydrophobicContact CG2-CG1 3.74Å; V101-V205 HydrophobicContact CG2-CG2 4.08Å
102S95.3Very high94.2Very high13 Ų1355.9 Ų55.99%0.09128%0.281CS..Hα-helixtrans-64.4-39.6-179.765.90000112.4C98 E99 G106C98-S102 PolarHBondContact O-N 2.87Å; C98-S102 PolarHBondContact O-OG 2.81Å; E99-S102 PolarHBondContact O-N 3.19Å; E99-S102 PolarHBondContact O-OG 3.01Å; S102-G106 VanDerWaalsContact O-CA 3.24Å; S102-G106 WeakPolarHBondContact O-CA 3.2Å; S102-G106 PolarHBondContact O-N 3.06Å
103R94.5Very high94Very high177 Ų17758.5 Ų58.567%0.66829%0.285SS*.Hα-helixtrans-65.4-38.3174.7-72.3172.8-179.1-1800.6113E99 V101E99-R103 HydrophobicContact CG-CG 4.5Å; E99-R103 WeakPolarHBondContact O-CB 3.37Å; E99-R103 VanDerWaalsContact O-CG 3.26Å; E99-R103 WeakPolarHBondContact O-CG 3.37Å; E99-R103 PolarHBondContact O-N 3.17Å; E99-R103 IonicContact OE1-CZ 3.39Å; E99-R103 IonicContact OE1-NE 2.81Å; E99-R103 PolarHBondContact OE1-NE 3.16Å; E99-R103 IonicContact OE1-NH2 3.74Å; E99-R103 PolarHBondContact OE1-NH2 3.25Å; E99-R103 IonicContact OE2-NH2 3.59Å; V101-R103 PolarHBondContact O-N 2.93Å
104F91.2Very high94Very high83 Ų8356.5 Ų56.536%0.36428%0.275SS..Hα-helixtrans-82.9-37.2-175.2-165.8-86.7000113R100 V101 N200 W201 T204R100-F104 WeakPolarHBondContact O-CB 3.35Å; R100-F104 PolarHBondContact O-N 2.91Å; V101-F104 PolarHBondContact O-N 3.04Å; F104-N200 WeakPolarHBondContact CZ-ND2 3.31Å; F104-W201 AromaticContact CD1-CD1 3.51Å; F104-W201 HydrophobicContact CE1-CB 4.32Å; F104-W201 AromaticContact CE1-CD1 3.6Å; F104-W201 HydrophobicContact CE1-CG 4.36Å; F104-T204 HydrophobicContact CD2-CG2 3.72Å; F104-T204 HydrophobicContact CE2-CG2 4.2Å
105S89.3Confident93.8Very high47 Ų4758.7 Ų58.733%0.32929%0.289SS..Hα-helixtrans-135.9-4-166.166.70000115V101 N109V101-S105 PolarHBondContact O-N 3.04Å; V101-S105 PolarHBondContact O-OG 3.49Å; S105-N109 WeakPolarHBondContact CB-ND2 3.23Å; S105-N109 PolarHBondContact O-ND2 3.23Å; S105-N109 PolarHBondContact OG-ND2 2.97Å
106G91.6Very high93.7Very high29 Ų2956.9 Ų56.930%0.29929%0.286SS..  trans101.6155178.600000114S102 D108 N109S102-G106 VanDerWaalsContact O-CA 3.24Å; S102-G106 WeakPolarHBondContact O-CA 3.2Å; S102-G106 PolarHBondContact O-N 3.06Å; G106-D108 VanDerWaalsContact C-N 3.26Å; G106-D108 PolarHBondContact O-N 3.35Å; G106-N109 PolarHBondContact O-N 2.92Å
107F91.2Very high93.5Very high146 Ų14656 Ų5664%0.6428%0.281SS*.G310 helixtrans-64.2-28.7-178.7-72.6-84.4000113.2N109 I110F107-N109 PolarHBondContact O-N 3.49Å; F107-I110 HydrophobicContact CD1-CD1 4.33Å; F107-I110 PolarHBondContact O-N 2.89Å
108D90.5Very high93.4Very high145 Ų14560.7 Ų60.778%0.77531%0.309SS*.G310 helixtrans-63.9-10178.6-61-24.5000113.5G106G106-D108 VanDerWaalsContact C-N 3.26Å; G106-D108 PolarHBondContact O-N 3.35Å
109N92.1Very high93.2Very high39 Ų3962.8 Ų62.821%0.20932%0.32CS..G310 helixtrans-90.3-0.3174-67-36.6000113.7V101 S105 G106 F107 V129 K130V101-N109 HydrophobicContact CG1-CB 3.9Å; S105-N109 WeakPolarHBondContact CB-ND2 3.23Å; S105-N109 PolarHBondContact O-ND2 3.23Å; S105-N109 PolarHBondContact OG-ND2 2.97Å; G106-N109 PolarHBondContact O-N 2.92Å; F107-N109 PolarHBondContact O-N 3.49Å; N109-V129 CarbonylContact O-C 3.46Å; N109-V129 WeakPolarHBondContact O-CA 3.45Å; N109-K130 HydrophobicContact CB-CB 4.13Å; N109-K130 PolarHBondContact O-N 3.47Å
110I92.5Very high93.1Very high20 Ų2067.9 Ų67.910%0.10334%0.337CS..EExtended strand (participates in β ladder)trans-94.3104.3168.7-55.7168.1000107.7C98 F107 E113 V129C98-I110 HydrophobicContact CB-CD1 4.02Å; C98-I110 HydrophobicContact CB-CG1 4.42Å; F107-I110 HydrophobicContact CD1-CD1 4.33Å; F107-I110 PolarHBondContact O-N 2.89Å; I110-E113 HydrophobicContact CG2-CG 4.35Å; I110-E113 WeakPolarHBondContact CG2-OE1 3.37Å; I110-V129 HydrophobicContact CG1-CG1 4.42Å
111L90Very high93Very high31 Ų3167.4 Ų67.416%0.16234%0.339CS..EExtended strand (participates in β ladder)trans-86.4-27-179.1-52.3-175.4000112.2I74 V128 K130 L137I74-L111 HydrophobicContact CG1-CD1 4.35Å; L111-V128 HydrophobicContact CB-CB 4.31Å; L111-V128 HydrophobicContact CB-CG1 4.14Å; L111-V128 HydrophobicContact CD1-CG1 4.28Å; L111-V128 PolarHBondContact N-O 2.88Å; L111-K130 HydrophobicContact CD1-CG 3.87Å; L111-K130 HydrophobicContact CD2-CD 4.24Å; L111-K130 HydrophobicContact CD2-CG 4.07Å; L111-K130 HydrophobicContact CG-CG 4.07Å; L111-L137 HydrophobicContact CD1-CD1 4.28Å; L111-L137 HydrophobicContact CD1-CD2 3.75Å
112L90.3Very high93.1Very high10 Ų1068.8 Ų68.85%0.05235%0.353CS..EExtended strand (participates in β ladder)trans-136.6115.3168.2-173.977.2000108.7K69 Y70 L126 G127 V128K69-L112 HydrophobicContact CB-CD1 4.02Å; Y70-L112 HydrophobicContact CD1-CB 3.75Å; Y70-L112 HydrophobicContact CD1-CD1 4.14Å; Y70-L112 HydrophobicContact CD1-CD2 3.7Å; Y70-L112 HydrophobicContact CD1-CG 4.04Å; Y70-L112 HydrophobicContact CE1-CD2 3.99Å; Y70-L112 HydrophobicContact CG-CB 4.28Å; L112-L126 HydrophobicContact CD2-CD2 3.43Å; L112-L126 VanDerWaalsContact CD2-CD2 3.43Å; L112-G127 VanDerWaalsContact O-CA 3.24Å; L112-G127 WeakPolarHBondContact O-CA 3.42Å; L112-V128 HydrophobicContact CB-CB 3.86Å; L112-V128 HydrophobicContact CB-CG2 3.98Å; L112-V128 HydrophobicContact CD2-CG2 4.45Å; L112-V128 PolarHBondContact N-O 3.19Å; L112-V128 PolarHBondContact O-N 3.31Å
113E92.4Very high93.1Very high106 Ų10672.2 Ų72.250%0.49537%0.366SS..EExtended strand (participates in β ladder)trans-58.4147.2169.4-69.2-62.5156.400110.8I110 T115I110-E113 HydrophobicContact CG2-CG 4.35Å; I110-E113 WeakPolarHBondContact CG2-OE1 3.37Å; E113-T115 PolarHBondContact O-N 2.97Å; E113-T115 PolarHBondContact O-OG1 3.48Å
114P95.4Very high93.2Very high25 Ų2563.8 Ų63.816%0.16234%0.335CS..EExtended strand (participates in β ladder)trans-48.3111.9179.6-27.233.2000112.1V94 H95 C98 V125V94-P114 HydrophobicContact CG1-CB 4.03Å; V94-P114 HydrophobicContact CG1-CG 4.14Å; H95-P114 HydrophobicContact CB-CG 4.49Å; H95-P114 VanDerWaalsContact CE1-CB 3.43Å; H95-P114 WeakPolarHBondContact CE1-CB 3.49Å; C98-P114 HydrophobicContact CB-CG 4.13Å; P114-V125 HydrophobicContact CB-CG1 4.12Å
115T94.7Very high93.5Very high48 Ų4861.1 Ų61.129%0.29433%0.325SS..EExtended strand (participates in β ladder)trans-121.8131.5-173.5-610000109.3E113 Y117 L126E113-T115 PolarHBondContact O-N 2.97Å; E113-T115 PolarHBondContact O-OG1 3.48Å; T115-Y117 HydrophobicContact CG2-CD2 4.28Å; T115-Y117 HydrophobicContact CG2-CE1 4.22Å; T115-Y117 HydrophobicContact CG2-CE2 3.57Å; T115-Y117 WeakPolarHBondContact O-CD2 3.41Å; T115-L126 PolarHBondContact N-O 2.88Å; T115-L126 PolarHBondContact O-N 3.26Å
116T95.7Very high93.8Very high79 Ų7959 Ų5949%0.48531%0.31SS..EExtended strand (participates in β ladder)trans-85.6131.1176.4-57.20000110.3T118 K123 I124T116-T118 HydrophobicContact CG2-CG2 4.01Å; T116-K123 HydrophobicContact CG2-CB 4.27Å; T116-K123 HydrophobicContact CG2-CD 4.25Å; T116-I124 WeakPolarHBondContact CA-O 3.41Å
117Y93.4Very high94Very high36 Ų3657.6 Ų57.614%0.14130%0.296CS..EExtended strand (participates in β ladder)trans-119.8140.1172-63.7-84.5000109.9P67 F68 T115 K123 I124 L126P67-Y117 WeakPolarHBondContact O-CE1 3.32Å; P67-Y117 VanDerWaalsContact O-CZ 3.27Å; P67-Y117 PolarHBondContact O-OH 3.09Å; F68-Y117 WeakPolarHBondContact CA-OH 3.43Å; F68-Y117 HydrophobicContact CD1-CD2 4.05Å; F68-Y117 AromaticContact CD1-CE1 3.99Å; F68-Y117 HydrophobicContact CD1-CE1 3.99Å; F68-Y117 AromaticContact CD1-CE2 3.36Å; F68-Y117 HydrophobicContact CD1-CE2 3.36Å; F68-Y117 AromaticContact CD1-CZ 3.31Å; F68-Y117 WeakPolarHBondContact CD1-OH 3.26Å; F68-Y117 HydrophobicContact CE1-CD1 4.13Å; F68-Y117 AromaticContact CE1-CD2 3.53Å; F68-Y117 HydrophobicContact CE1-CD2 3.53Å; F68-Y117 HydrophobicContact CE1-CE1 4Å; F68-Y117 AromaticContact CE1-CE2 3.35Å; F68-Y117 HydrophobicContact CE1-CE2 3.35Å; F68-Y117 AromaticContact CE1-CG 3.9Å; F68-Y117 HydrophobicContact CE1-CG 3.9Å; F68-Y117 AromaticContact CE1-CZ 3.59Å; T115-Y117 HydrophobicContact CG2-CD2 4.28Å; T115-Y117 HydrophobicContact CG2-CE1 4.22Å; T115-Y117 HydrophobicContact CG2-CE2 3.57Å; T115-Y117 WeakPolarHBondContact O-CD2 3.41Å; Y117-K123 CarbonylContact O-C 3.57Å; Y117-K123 VanDerWaalsContact O-CA 3.25Å; Y117-K123 WeakPolarHBondContact O-CA 3.43Å; Y117-I124 HydrophobicContact CD2-CD1 4.49Å; Y117-I124 HydrophobicContact CD2-CG1 4.4Å; Y117-I124 PolarHBondContact N-O 3.04Å; Y117-I124 PolarHBondContact O-N 3.23Å; Y117-L126 HydrophobicContact CD2-CB 4.18Å; Y117-L126 HydrophobicContact CE2-CB 4.17Å
118T94.1Very high94.1Very high98 Ų9850.6 Ų50.660%0.60127%0.265SS*.EExtended strand (participates in β ladder)trans-137142.8-174.262.90000111.5T116 G122 K123T116-T118 HydrophobicContact CG2-CG2 4.01Å; T118-G122 WeakPolarHBondContact CA-O 3.42Å; T118-K123 HydrophobicContact CG2-CB 3.7Å
119D93.3Very high94.3Very high49 Ų4943.7 Ų43.726%0.26223%0.228SC..EExtended strand (participates in β ladder)trans-139.1-156.1162.567.118.1000109.8D121 G122 Y146 P152D119-D121 VanDerWaalsContact C-N 3.29Å; D119-D121 PolarHBondContact O-N 2.94Å; D119-D121 WeakPolarHBondContact OD1-CA 3.36Å; D119-D121 WeakPolarHBondContact OD1-CB 3.35Å; D119-D121 PolarHBondContact OD1-N 2.86Å; D119-G122 PolarHBondContact N-O 3.45Å; D119-G122 VanDerWaalsContact N-O 3.12Å; D119-Y146 WeakPolarHBondContact OD1-CE2 3.41Å; D119-Y146 PolarHBondContact OD2-OH 2.92Å; D119-P152 HydrophobicContact CB-CB 4.26Å; D119-P152 WeakPolarHBondContact OD2-CA 3.43Å
120Y94.4Very high94.4Very high188 Ų18846.3 Ų46.374%0.73724%0.238SC*.THydrogen-bonded Turntrans-73.2-18.6-179.664.4-90.1000113.8
121D95.6Very high94.4Very high47 Ų4746 Ų4625%0.25124%0.237SC..THydrogen-bonded Turntrans-94.35.4-179-68.8-42000113D119 Y146 E147 G148D119-D121 VanDerWaalsContact C-N 3.29Å; D119-D121 PolarHBondContact O-N 2.94Å; D119-D121 WeakPolarHBondContact OD1-CA 3.36Å; D119-D121 WeakPolarHBondContact OD1-CB 3.35Å; D119-D121 PolarHBondContact OD1-N 2.86Å; D121-Y146 HydrophobicContact CB-CD2 4.49Å; D121-Y146 HydrophobicContact CB-CE2 3.97Å; D121-E147 PolarHBondContact O-N 3.12Å; D121-G148 VanDerWaalsContact CG-CA 3.48Å; D121-G148 VanDerWaalsContact OD2-CA 3.27Å; D121-G148 WeakPolarHBondContact OD2-CA 3.49Å
122G96.9Very high94.6Very high29 Ų2946.3 Ų46.330%0.29924%0.242SC..EExtended strand (participates in β ladder)trans121.5-144.1173.300000113.2T118 D119 Q145T118-G122 WeakPolarHBondContact CA-O 3.42Å; D119-G122 PolarHBondContact N-O 3.45Å; D119-G122 VanDerWaalsContact N-O 3.12Å; G122-Q145 WeakPolarHBondContact CA-O 3.33Å
123K96.4Very high94.9Very high84 Ų8445.8 Ų45.837%0.36524%0.239SC..EExtended strand (participates in β ladder)trans-138.5148.8-177.770.8178176-178.60113.5T116 Y117 T118 Q145T116-K123 HydrophobicContact CG2-CB 4.27Å; T116-K123 HydrophobicContact CG2-CD 4.25Å; Y117-K123 CarbonylContact O-C 3.57Å; Y117-K123 VanDerWaalsContact O-CA 3.25Å; Y117-K123 WeakPolarHBondContact O-CA 3.43Å; T118-K123 HydrophobicContact CG2-CB 3.7Å; K123-Q145 VanDerWaalsContact CE-CD 3.45Å; K123-Q145 HydrophobicContact CG-CB 4Å; K123-Q145 PolarHBondContact N-O 3.21Å; K123-Q145 CarbonylContact O-C 3.47Å; K123-Q145 VanDerWaalsContact O-C 3.32Å
124I97.2Very high94.7Very high1 Ų142.9 Ų42.91%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-118.6154.3166.866.8170000109.8T116 Y117 L126 D142 Y146 L151 P152T116-I124 WeakPolarHBondContact CA-O 3.41Å; Y117-I124 HydrophobicContact CD2-CD1 4.49Å; Y117-I124 HydrophobicContact CD2-CG1 4.4Å; Y117-I124 PolarHBondContact N-O 3.04Å; Y117-I124 PolarHBondContact O-N 3.23Å; I124-L126 HydrophobicContact CD1-CB 4.39Å; I124-L126 HydrophobicContact CD1-CD1 4.27Å; I124-D142 VanDerWaalsContact CA-O 3.3Å; I124-D142 WeakPolarHBondContact CA-O 3.2Å; I124-Y146 HydrophobicContact CG2-CD1 4.01Å; I124-Y146 HydrophobicContact CG2-CD2 4Å; I124-Y146 HydrophobicContact CG2-CG 3.57Å; I124-L151 HydrophobicContact CD1-CD2 3.63Å; I124-P152 VanDerWaalsContact CD1-CD 3.49Å; I124-P152 HydrophobicContact CD1-CG 4.17Å; I124-P152 HydrophobicContact CG1-CG 4.03Å
125V97.2Very high94.3Very high26 Ų2645.8 Ų45.816%0.15825%0.251CS..EExtended strand (participates in β ladder)trans-107.9132.5160.6-174.40000107.4V94 P114 I141 D142V94-V125 HydrophobicContact CB-CB 4.46Å; V94-V125 HydrophobicContact CB-CG1 3.86Å; V94-V125 HydrophobicContact CG1-CG1 4.2Å; V94-V125 HydrophobicContact CG2-CB 4.02Å; V94-V125 HydrophobicContact CG2-CG1 3.96Å; V94-V125 WeakPolarHBondContact CG2-O 3.26Å; P114-V125 HydrophobicContact CB-CG1 4.12Å; V125-I141 WeakPolarHBondContact O-CA 3.37Å; V125-D142 HydrophobicContact CB-CB 4.46Å; V125-D142 PolarHBondContact N-O 3.23Å; V125-D142 PolarHBondContact O-N 2.9Å
126L95.9Very high94.2Very high2 Ų243.9 Ų43.91%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-134.7134.7-177.7-171.6150.6000110.7F68 Y70 L112 T115 Y117 I124 V128 T139 I140 I141F68-L126 HydrophobicContact CD1-CD1 4.1Å; F68-L126 HydrophobicContact CD1-CD2 3.9Å; F68-L126 HydrophobicContact CE1-CD1 3.67Å; F68-L126 HydrophobicContact CE1-CD2 4.26Å; F68-L126 HydrophobicContact CE1-CG 4.39Å; F68-L126 HydrophobicContact CZ-CD1 4.28Å; Y70-L126 HydrophobicContact CE1-CD2 4.11Å; L112-L126 HydrophobicContact CD2-CD2 3.43Å; L112-L126 VanDerWaalsContact CD2-CD2 3.43Å; T115-L126 PolarHBondContact N-O 2.88Å; T115-L126 PolarHBondContact O-N 3.26Å; Y117-L126 HydrophobicContact CD2-CB 4.18Å; Y117-L126 HydrophobicContact CE2-CB 4.17Å; I124-L126 HydrophobicContact CD1-CB 4.39Å; I124-L126 HydrophobicContact CD1-CD1 4.27Å; L126-V128 HydrophobicContact CD2-CG2 4.07Å; L126-T139 HydrophobicContact CD1-CG2 3.69Å; L126-T139 HydrophobicContact CD2-CG2 3.9Å; L126-T139 HydrophobicContact CG-CG2 3.75Å; L126-I140 CarbonylContact C-O 3.55Å; L126-I140 VanDerWaalsContact CA-O 3.31Å; L126-I140 WeakPolarHBondContact CA-O 3.33Å; L126-I141 HydrophobicContact CD1-CD1 4.11Å; L126-I141 HydrophobicContact CD1-CG1 3.94Å; L126-I141 HydrophobicContact CG-CG1 4.15Å
127G94.6Very high94.1Very high0 Ų040.3 Ų40.30%022%0.217CC..EExtended strand (participates in β ladder)trans-130.2167168.600000110.4L112 T139 I140L112-G127 VanDerWaalsContact O-CA 3.24Å; L112-G127 WeakPolarHBondContact O-CA 3.42Å; G127-T139 CarbonylContact O-C 3.51Å; G127-T139 WeakPolarHBondContact O-CA 3.18Å; G127-I140 PolarHBondContact N-O 2.83Å; G127-I140 PolarHBondContact O-N 3.03Å
128V94.6Very high94.3Very high0 Ų038.6 Ų38.60%021%0.21CC..EExtended strand (participates in β ladder)trans-135.4129.5174.8-179.20000109.1Y70 I74 L111 L112 L126 T139Y70-V128 HydrophobicContact CD1-CB 4.36Å; Y70-V128 HydrophobicContact CD1-CG2 3.58Å; Y70-V128 HydrophobicContact CD2-CG1 4.49Å; Y70-V128 HydrophobicContact CD2-CG2 4.16Å; Y70-V128 HydrophobicContact CE1-CB 4.42Å; Y70-V128 HydrophobicContact CE1-CG2 3.24Å; Y70-V128 HydrophobicContact CE2-CG2 3.9Å; Y70-V128 HydrophobicContact CG-CB 4.43Å; Y70-V128 HydrophobicContact CG-CG2 4Å; Y70-V128 VanDerWaalsContact CZ-CG2 3.44Å; I74-V128 HydrophobicContact CD1-CG1 4.48Å; L111-V128 HydrophobicContact CB-CB 4.31Å; L111-V128 HydrophobicContact CB-CG1 4.14Å; L111-V128 HydrophobicContact CD1-CG1 4.28Å; L111-V128 PolarHBondContact N-O 2.88Å; L112-V128 HydrophobicContact CB-CB 3.86Å; L112-V128 HydrophobicContact CB-CG2 3.98Å; L112-V128 HydrophobicContact CD2-CG2 4.45Å; L112-V128 PolarHBondContact N-O 3.19Å; L112-V128 PolarHBondContact O-N 3.31Å; L126-V128 HydrophobicContact CD2-CG2 4.07Å; V128-T139 HydrophobicContact CG2-CG2 4.33Å
129V94.1Very high94.4Very high0 Ų034 Ų340%018%0.182CC..EExtended strand (participates in β ladder)trans-126.7149.2179.9-59.40000111.1V101 N109 I110 H138 I140V101-V129 HydrophobicContact CB-CG1 4.33Å; V101-V129 HydrophobicContact CG1-CB 4.18Å; V101-V129 HydrophobicContact CG1-CG1 4.24Å; V101-V129 HydrophobicContact CG2-CB 4.16Å; V101-V129 HydrophobicContact CG2-CG1 4.1Å; V101-V129 HydrophobicContact CG2-CG2 4.13Å; N109-V129 CarbonylContact O-C 3.46Å; N109-V129 WeakPolarHBondContact O-CA 3.45Å; I110-V129 HydrophobicContact CG1-CG1 4.42Å; V129-H138 HydrophobicContact CG2-CB 3.93Å; V129-H138 PolarHBondContact N-O 2.88Å; V129-H138 PolarHBondContact O-N 3.41Å; V129-I140 HydrophobicContact CG2-CD1 4.37Å; V129-I140 HydrophobicContact CG2-CG1 4.1Å
130K93.2Very high94.6Very high93 Ų9331.7 Ų31.740%0.40417%0.17SC..EExtended strand (participates in β ladder)trans-71.2136.4164.6-73.1-179.4170.61680109.6N109 L111 L137N109-K130 HydrophobicContact CB-CB 4.13Å; N109-K130 PolarHBondContact O-N 3.47Å; L111-K130 HydrophobicContact CD1-CG 3.87Å; L111-K130 HydrophobicContact CD2-CD 4.24Å; L111-K130 HydrophobicContact CD2-CG 4.07Å; L111-K130 HydrophobicContact CG-CG 4.07Å; K130-L137 HydrophobicContact CB-CD2 4.42Å; K130-L137 HydrophobicContact CG-CD2 3.84Å
131S93.9Very high94.7Very high14 Ų1422.7 Ų22.710%0.09814%0.135CC..  trans-74.3168.2169.8-170.30000110.9V133 L136 H138S131-V133 PolarHBondContact O-N 2.96Å; S131-V133 PolarHBondContact OG-N 2.9Å; S131-L136 WeakPolarHBondContact CB-O 3.4Å; S131-L136 PolarHBondContact N-O 3.3Å; S131-H138 PolarHBondContact OG-NE2 2.93Å
132C94.3Very high94.8Very high37 Ų3721.7 Ų21.725%0.2513%0.129CC..SBendtrans-70.7-10.9161.361.30000113.1G134 F198 W201C132-G134 PolarHBondContact O-N 3.24Å; C132-F198 HydrophobicContact CB-CD1 4.48Å; C132-F198 VanDerWaalsContact SG-CD1 3.58Å; C132-W201 HydrophobicContact CB-CB 3.89Å; C132-W201 HydrophobicContact CB-CD2 3.91Å; C132-W201 HydrophobicContact CB-CG 3.53Å; C132-W201 WeakPolarHBondContact SG-CB 3.39Å; C132-W201 VanDerWaalsContact SG-CD2 3.54Å
133V94.9Very high94.8Very high0 Ų021.2 Ų21.20%012%0.122CC..SBendtrans-94.792-175.5-178.10000110.1S131 N135 L136 I188 F198 Y202 P278S131-V133 PolarHBondContact O-N 2.96Å; S131-V133 PolarHBondContact OG-N 2.9Å; V133-N135 PolarHBondContact O-N 3.14Å; V133-L136 HydrophobicContact CB-CB 4.04Å; V133-L136 HydrophobicContact CB-CD2 4.05Å; V133-L136 HydrophobicContact CG1-CB 4.17Å; V133-L136 HydrophobicContact CG1-CD2 4.11Å; V133-L136 HydrophobicContact CG2-CD2 4.44Å; V133-L136 WeakPolarHBondContact O-CB 3.39Å; V133-L136 PolarHBondContact O-N 3.03Å; V133-I188 HydrophobicContact CB-CG2 4.25Å; V133-I188 HydrophobicContact CG1-CG2 3.36Å; V133-I188 HydrophobicContact CG2-CG2 3.87Å; V133-F198 HydrophobicContact CB-CE1 4.26Å; V133-F198 HydrophobicContact CB-CZ 4.2Å; V133-F198 HydrophobicContact CG1-CE2 4.34Å; V133-F198 HydrophobicContact CG1-CZ 4.08Å; V133-F198 HydrophobicContact CG2-CD1 3.84Å; V133-F198 HydrophobicContact CG2-CD2 4.12Å; V133-F198 HydrophobicContact CG2-CE1 3.77Å; V133-F198 HydrophobicContact CG2-CE2 4.04Å; V133-F198 HydrophobicContact CG2-CG 4.02Å; V133-F198 HydrophobicContact CG2-CZ 3.87Å; V133-Y202 HydrophobicContact CG2-CE2 4.29Å; V133-P278 HydrophobicContact CG1-CB 3.84Å
134G89.8Confident94.8Very high44 Ų4420.7 Ų20.745%0.45413%0.128SC..THydrogen-bonded Turntrans47.9-122.1171.500000113.7C132C132-G134 PolarHBondContact O-N 3.24Å
135N86.9Confident94.7Very high87 Ų8726 Ų2647%0.46515%0.153SC..THydrogen-bonded Turntrans-95.36.5177.1-65.4-48.9000113.8W77 V133 L137W77-N135 HydrophobicContact CD2-CB 4.38Å; W77-N135 HydrophobicContact CE3-CB 3.95Å; W77-N135 HydrophobicContact CH2-CB 3.58Å; W77-N135 WeakPolarHBondContact CH2-O 3.43Å; W77-N135 HydrophobicContact CZ2-CB 4.09Å; W77-N135 WeakPolarHBondContact CZ2-O 3.32Å; W77-N135 HydrophobicContact CZ3-CB 3.51Å; V133-N135 PolarHBondContact O-N 3.14Å; N135-L137 PolarHBondContact O-N 2.8Å
136L92.1Very high94.7Very high7 Ų726 Ų264%0.03715%0.15CC..  trans-65.9135.9178.8-173.166000110.1I87 S131 V133 I188 L280I87-L136 HydrophobicContact CD1-CD1 4.37Å; I87-L136 HydrophobicContact CD1-CD2 4Å; I87-L136 HydrophobicContact CG1-CD1 4.25Å; S131-L136 WeakPolarHBondContact CB-O 3.4Å; S131-L136 PolarHBondContact N-O 3.3Å; V133-L136 HydrophobicContact CB-CB 4.04Å; V133-L136 HydrophobicContact CB-CD2 4.05Å; V133-L136 HydrophobicContact CG1-CB 4.17Å; V133-L136 HydrophobicContact CG1-CD2 4.11Å; V133-L136 HydrophobicContact CG2-CD2 4.44Å; V133-L136 WeakPolarHBondContact O-CB 3.39Å; V133-L136 PolarHBondContact O-N 3.03Å; L136-I188 HydrophobicContact CD2-CD1 4.05Å; L136-I188 HydrophobicContact CD2-CG1 4.42Å; L136-L280 HydrophobicContact CD1-CB 4.37Å
137L94.1Very high94.7Very high4 Ų434.5 Ų34.52%0.02119%0.19CC..EExtended strand (participates in β ladder)trans-109.7161.8177.2-54.1179.2000111I74 W77 F85 D86 I87 L111 K130 N135I74-L137 HydrophobicContact CD1-CD1 3.28Å; I74-L137 HydrophobicContact CG1-CD1 3.77Å; I74-L137 HydrophobicContact CG2-CD1 4.1Å; W77-L137 HydrophobicContact CZ2-CD1 4.24Å; W77-L137 HydrophobicContact CZ2-CG 4.34Å; F85-L137 HydrophobicContact CD2-CD1 4.38Å; F85-L137 PolarHBondContact O-N 2.83Å; D86-L137 WeakPolarHBondContact CA-O 3.47Å; D86-L137 HydrophobicContact CB-CB 4.02Å; I87-L137 PolarHBondContact N-O 3.11Å; I87-L137 VanDerWaalsContact N-O 3.07Å; L111-L137 HydrophobicContact CD1-CD1 4.28Å; L111-L137 HydrophobicContact CD1-CD2 3.75Å; K130-L137 HydrophobicContact CB-CD2 4.42Å; K130-L137 HydrophobicContact CG-CD2 3.84Å; N135-L137 PolarHBondContact O-N 2.8Å
138H96.3Very high94.7Very high0 Ų035.5 Ų35.50%020%0.201CC..EExtended strand (participates in β ladder)trans-127.8110.8165.7-66.7-62.3000109.7D86 I87 L89 V129 S131 I140 W201 Y202D86-H138 WeakPolarHBondContact OD1-CA 3.29Å; I87-H138 WeakPolarHBondContact O-CA 3.33Å; I87-H138 PolarHBondContact O-ND1 2.87Å; L89-H138 HydrophobicContact CD1-CB 4.28Å; V129-H138 HydrophobicContact CG2-CB 3.93Å; V129-H138 PolarHBondContact N-O 2.88Å; V129-H138 PolarHBondContact O-N 3.41Å; S131-H138 PolarHBondContact OG-NE2 2.93Å; H138-I140 HydrophobicContact CB-CD1 3.68Å; H138-W201 AromaticContact CD2-CH2 3.56Å; H138-W201 AromaticContact CD2-CZ3 3.83Å; H138-W201 AromaticContact NE2-CZ3 3.92Å; H138-Y202 PolarHBondContact CE1-OH 3.41Å; H138-Y202 VanDerWaalsContact CE1-OH 3.23Å; H138-Y202 AromaticContact NE2-CE1 3.72Å; H138-Y202 AromaticContact NE2-CZ 3.55Å; H138-Y202 PolarHBondContact NE2-OH 3.04Å
139T96Very high94.5Very high2 Ų238.4 Ų38.41%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-73.3120.4160.1-670000108.6D86 A88 L89 L126 G127 V128 I141D86-T139 PolarHBondContact OD1-N 3.47Å; D86-T139 WeakPolarHBondContact OD2-CB 3.35Å; D86-T139 PolarHBondContact OD2-OG1 3.1Å; A88-T139 CarbonylContact C-O 3.56Å; A88-T139 WeakPolarHBondContact CA-O 3.35Å; A88-T139 HydrophobicContact CB-CG2 4.47Å; L89-T139 PolarHBondContact N-O 2.81Å; L126-T139 HydrophobicContact CD1-CG2 3.69Å; L126-T139 HydrophobicContact CD2-CG2 3.9Å; L126-T139 HydrophobicContact CG-CG2 3.75Å; G127-T139 CarbonylContact O-C 3.51Å; G127-T139 WeakPolarHBondContact O-CA 3.18Å; V128-T139 HydrophobicContact CG2-CG2 4.33Å; T139-I141 HydrophobicContact CG2-CD1 3.84Å; T139-I141 HydrophobicContact CG2-CG1 3.74Å
140I97.6Very high94.6Very high0 Ų039.2 Ų39.20%022%0.219CC..EExtended strand (participates in β ladder)trans-104.8125.4-176.8-52.4-55.1000108.8L89 V91 V94 V97 L126 G127 V129 H138 F206L89-I140 HydrophobicContact CB-CD1 4.08Å; L89-I140 HydrophobicContact CD1-CD1 4.22Å; V91-I140 HydrophobicContact CB-CG2 4.11Å; V91-I140 HydrophobicContact CG1-CG2 3.72Å; V91-I140 HydrophobicContact CG2-CG2 3.26Å; V94-I140 HydrophobicContact CB-CG2 4.39Å; V94-I140 HydrophobicContact CG1-CB 4.31Å; V94-I140 HydrophobicContact CG1-CG2 4.11Å; V94-I140 HydrophobicContact CG2-CG2 4.24Å; V97-I140 HydrophobicContact CB-CG2 4.07Å; V97-I140 HydrophobicContact CG1-CD1 4.11Å; V97-I140 HydrophobicContact CG1-CG1 3.84Å; V97-I140 HydrophobicContact CG1-CG2 4.03Å; V97-I140 HydrophobicContact CG2-CG2 4.17Å; L126-I140 CarbonylContact C-O 3.55Å; L126-I140 VanDerWaalsContact CA-O 3.31Å; L126-I140 WeakPolarHBondContact CA-O 3.33Å; G127-I140 PolarHBondContact N-O 2.83Å; G127-I140 PolarHBondContact O-N 3.03Å; V129-I140 HydrophobicContact CG2-CD1 4.37Å; V129-I140 HydrophobicContact CG2-CG1 4.1Å; H138-I140 HydrophobicContact CB-CD1 3.68Å; I140-F206 HydrophobicContact CD1-CE1 3.66Å; I140-F206 HydrophobicContact CD1-CZ 3.64Å
141I97.7Very high94.7Very high0 Ų035.1 Ų35.10%020%0.202CC..EExtended strand (participates in β ladder)trans-131.2130.6-168.7-51.5177000109.9H8 A88 L89 E90 V91 V125 L126 T139 L151H8-I141 HydrophobicContact CB-CD1 4.47Å; H8-I141 WeakPolarHBondContact ND1-CD1 3.35Å; A88-I141 HydrophobicContact CB-CD1 4.23Å; L89-I141 PolarHBondContact O-N 3.28Å; E90-I141 CarbonylContact C-O 3.57Å; E90-I141 VanDerWaalsContact CA-O 3.29Å; E90-I141 WeakPolarHBondContact CA-O 3.02Å; V91-I141 PolarHBondContact N-O 3.28Å; V125-I141 WeakPolarHBondContact O-CA 3.37Å; L126-I141 HydrophobicContact CD1-CD1 4.11Å; L126-I141 HydrophobicContact CD1-CG1 3.94Å; L126-I141 HydrophobicContact CG-CG1 4.15Å; T139-I141 HydrophobicContact CG2-CD1 3.84Å; T139-I141 HydrophobicContact CG2-CG1 3.74Å; I141-L151 HydrophobicContact CD1-CD2 4.22Å; I141-L151 HydrophobicContact CG2-CD2 4.39Å
142D97.9Very high94.6Very high25 Ų2535.3 Ų35.313%0.13420%0.202CC..EExtended strand (participates in β ladder)trans-108.5108.8158.217813.2000108.6K5 V94 I124 V125 S144K5-D142 IonicContact NZ-OD1 2.6Å; V94-D142 HydrophobicContact CG2-CB 3.79Å; I124-D142 VanDerWaalsContact CA-O 3.3Å; I124-D142 WeakPolarHBondContact CA-O 3.2Å; V125-D142 HydrophobicContact CB-CB 4.46Å; V125-D142 PolarHBondContact N-O 3.23Å; V125-D142 PolarHBondContact O-N 2.9Å; D142-S144 WeakPolarHBondContact OD1-CB 3.42Å; D142-S144 PolarHBondContact OD1-N 3.1Å; D142-S144 PolarHBondContact OD1-OG 3.27Å; D142-S144 PolarHBondContact OD2-OG 3.42Å
143S96Very high94.4Very high20 Ų2035.6 Ų35.614%0.1421%0.212CC..EExtended strand (participates in β ladder)trans-107.816.217853.30000112.8Q145 Y146S143-Q145 PolarHBondContact O-N 2.93Å; S143-Y146 PolarHBondContact O-N 2.86Å
144S95.6Very high94.2Very high73 Ų7336.2 Ų36.251%0.5121%0.214SC..EExtended strand (participates in β ladder)trans-61.5-15-177.159.60000115D142D142-S144 WeakPolarHBondContact OD1-CB 3.42Å; D142-S144 PolarHBondContact OD1-N 3.1Å; D142-S144 PolarHBondContact OD1-OG 3.27Å; D142-S144 PolarHBondContact OD2-OG 3.42Å
145Q96.9Very high94.2Very high111 Ų11136.6 Ų36.652%0.51921%0.208SC..EExtended strand (participates in β ladder)trans-118.826179.1-66.3175.159.500112G122 K123 S143G122-Q145 WeakPolarHBondContact CA-O 3.33Å; K123-Q145 VanDerWaalsContact CE-CD 3.45Å; K123-Q145 HydrophobicContact CG-CB 4Å; K123-Q145 PolarHBondContact N-O 3.21Å; K123-Q145 CarbonylContact O-C 3.47Å; K123-Q145 VanDerWaalsContact O-C 3.32Å; S143-Q145 PolarHBondContact O-N 2.93Å
146Y97Very high94.2Very high26 Ų2635.5 Ų35.510%0.10220%0.202CC..EExtended strand (participates in β ladder)trans-128.3123.6-179.6-167.5-108000110.6D119 D121 I124 S143 G148 L151 P152D119-Y146 WeakPolarHBondContact OD1-CE2 3.41Å; D119-Y146 PolarHBondContact OD2-OH 2.92Å; D121-Y146 HydrophobicContact CB-CD2 4.49Å; D121-Y146 HydrophobicContact CB-CE2 3.97Å; I124-Y146 HydrophobicContact CG2-CD1 4.01Å; I124-Y146 HydrophobicContact CG2-CD2 4Å; I124-Y146 HydrophobicContact CG2-CG 3.57Å; S143-Y146 PolarHBondContact O-N 2.86Å; Y146-G148 VanDerWaalsContact CE1-CA 3.49Å; Y146-L151 VanDerWaalsContact OH-C 3.25Å; Y146-L151 PolarHBondContact OH-O 2.87Å; Y146-P152 HydrophobicContact CD2-CG 4.25Å; Y146-P152 HydrophobicContact CE2-CB 4.45Å; Y146-P152 HydrophobicContact CE2-CG 3.62Å; Y146-P152 WeakPolarHBondContact OH-CA 3.46Å
147E95.6Very high93.4Very high182 Ų18237.2 Ų37.285%0.8521%0.213SC*.  trans-1107.2-179.1-62.4-171.9167.900112.6D121D121-E147 PolarHBondContact O-N 3.12Å
148G93.2Very high92.3Very high21 Ų2140 Ų4022%0.21624%0.242CC..SBendtrans-76.1-179.9-17500000113.5D121 Y146 F150D121-G148 VanDerWaalsContact CG-CA 3.48Å; D121-G148 VanDerWaalsContact OD2-CA 3.27Å; D121-G148 WeakPolarHBondContact OD2-CA 3.49Å; Y146-G148 VanDerWaalsContact CE1-CA 3.49Å; G148-F150 VanDerWaalsContact C-N 3.32Å; G148-F150 PolarHBondContact O-N 3.02Å
149L92.1Very high90.8Very high60 Ų6046.6 Ų46.631%0.31427%0.273SS..SBendtrans-59.6-38.1-172.2-67.5169.3000114.1H33 L156H33-L149 PolarHBondContact NE2-O 2.93Å; L149-L156 HydrophobicContact CD1-CD2 4.11Å; L149-L156 HydrophobicContact CD1-CG 3.78Å; L149-L156 HydrophobicContact CD2-CD2 3.92Å; L149-L156 HydrophobicContact CD2-CG 4.23Å
150F95.4Very high88.9Confident18 Ų1847.6 Ų47.68%0.07928%0.28CS..SBendtrans-160.2-70.3-178177.2-121.8000112.2H8 H9 C34 V45 V52 G148 Y154H8-F150 AromaticContact CE1-CD2 3.76Å; H8-F150 AromaticContact CE1-CE2 3.27Å; H8-F150 WeakPolarHBondContact CE1-CE2 3.44Å; H8-F150 AromaticContact CE1-CZ 3.88Å; H8-F150 AromaticContact ND1-CE2 3.91Å; H8-F150 AromaticContact NE2-CE2 3.95Å; H9-F150 HydrophobicContact CB-CE2 4.46Å; H9-F150 HydrophobicContact CB-CZ 4.42Å; H9-F150 AromaticContact CE1-CZ 3.63Å; H9-F150 AromaticContact CG-CZ 3.84Å; H9-F150 AromaticContact ND1-CE2 3.7Å; H9-F150 AromaticContact ND1-CZ 3.37Å; H9-F150 WeakPolarHBondContact ND1-CZ 3.5Å; C34-F150 VanDerWaalsContact SG-CB 3.52Å; V45-F150 HydrophobicContact CB-CD1 4.48Å; V45-F150 HydrophobicContact CB-CE1 4.49Å; V45-F150 HydrophobicContact CG1-CD1 4.24Å; V45-F150 HydrophobicContact CG1-CD2 4.2Å; V45-F150 HydrophobicContact CG1-CE1 4.19Å; V45-F150 HydrophobicContact CG1-CE2 4.15Å; V45-F150 HydrophobicContact CG1-CG 4.23Å; V45-F150 HydrophobicContact CG1-CZ 4.12Å; V45-F150 HydrophobicContact CG2-CD1 3.59Å; V45-F150 HydrophobicContact CG2-CE1 3.47Å; V45-F150 VanDerWaalsContact CG2-CE1 3.47Å; V45-F150 HydrophobicContact CG2-CG 4.33Å; V45-F150 HydrophobicContact CG2-CZ 4.15Å; V52-F150 HydrophobicContact CG1-CE2 3.94Å; V52-F150 HydrophobicContact CG1-CZ 4.47Å; G148-F150 VanDerWaalsContact C-N 3.32Å; G148-F150 PolarHBondContact O-N 3.02Å; F150-Y154 AromaticContact CD1-CD1 3.83Å; F150-Y154 HydrophobicContact CD1-CD1 3.83Å; F150-Y154 HydrophobicContact CD1-CD2 4.06Å; F150-Y154 AromaticContact CD1-CE1 3.91Å; F150-Y154 HydrophobicContact CD1-CE1 3.91Å; F150-Y154 HydrophobicContact CD1-CE2 4.12Å; F150-Y154 AromaticContact CD1-CG 3.92Å; F150-Y154 HydrophobicContact CD1-CG 3.92Å; F150-Y154 HydrophobicContact CE1-CD1 4.44Å; F150-Y154 HydrophobicContact CE1-CE1 4.07Å; F150-Y154 HydrophobicContact CE1-CE2 4.4Å
151L94.9Very high86.6Confident6 Ų652.4 Ų52.43%0.03132%0.32CS..SBendtrans-140.3160.8174.5-63.7173.9000108.2I124 I141 Y146 G153 Y154I124-L151 HydrophobicContact CD1-CD2 3.63Å; I141-L151 HydrophobicContact CD1-CD2 4.22Å; I141-L151 HydrophobicContact CG2-CD2 4.39Å; Y146-L151 VanDerWaalsContact OH-C 3.25Å; Y146-L151 PolarHBondContact OH-O 2.87Å; L151-G153 PolarHBondContact O-N 3.22Å; L151-Y154 HydrophobicContact CB-CD2 3.78Å; L151-Y154 HydrophobicContact CB-CE2 3.81Å; L151-Y154 HydrophobicContact CD1-CE2 4.25Å; L151-Y154 VanDerWaalsContact O-CD2 3.29Å; L151-Y154 WeakPolarHBondContact O-CD2 3.24Å; L151-Y154 PolarHBondContact O-N 3.2Å
152P92.8Very high84.6Confident18 Ų1855.5 Ų55.512%0.11734%0.337CS..THydrogen-bonded Turntrans-53.1130.8178-28.534.8000114.2D119 I124 Y146D119-P152 HydrophobicContact CB-CB 4.26Å; D119-P152 WeakPolarHBondContact OD2-CA 3.43Å; I124-P152 VanDerWaalsContact CD1-CD 3.49Å; I124-P152 HydrophobicContact CD1-CG 4.17Å; I124-P152 HydrophobicContact CG1-CG 4.03Å; Y146-P152 HydrophobicContact CD2-CG 4.25Å; Y146-P152 HydrophobicContact CE2-CB 4.45Å; Y146-P152 HydrophobicContact CE2-CG 3.62Å; Y146-P152 WeakPolarHBondContact OH-CA 3.46Å
153G89Confident82.5Confident43 Ų4360.7 Ų60.744%0.44336%0.364SS..THydrogen-bonded Turntrans87.6-2178.600000116F36 L151F36-G153 WeakPolarHBondContact CD2-O 3.4Å; L151-G153 PolarHBondContact O-N 3.22Å
154Y91.3Very high80.7Confident14 Ų1465.6 Ų65.66%0.05539%0.389CS..  trans-80.5140.4171.8-74.4-106000110.7L35 F36 N43 V45 M54 F150 L151L35-Y154 WeakPolarHBondContact O-CA 3.33Å; F36-Y154 HydrophobicContact CB-CD1 3.75Å; F36-Y154 HydrophobicContact CB-CD2 4.15Å; F36-Y154 HydrophobicContact CB-CE1 3.51Å; F36-Y154 HydrophobicContact CB-CE2 3.96Å; F36-Y154 HydrophobicContact CB-CG 4.06Å; F36-Y154 HydrophobicContact CG-CE2 4.5Å; N43-Y154 HydrophobicContact CB-CE1 4.29Å; V45-Y154 HydrophobicContact CG2-CD1 3.66Å; V45-Y154 HydrophobicContact CG2-CE1 3.46Å; V45-Y154 VanDerWaalsContact CG2-CE1 3.46Å; M54-Y154 WeakPolarHBondContact CE-OH 3.35Å; F150-Y154 AromaticContact CD1-CD1 3.83Å; F150-Y154 HydrophobicContact CD1-CD1 3.83Å; F150-Y154 HydrophobicContact CD1-CD2 4.06Å; F150-Y154 AromaticContact CD1-CE1 3.91Å; F150-Y154 HydrophobicContact CD1-CE1 3.91Å; F150-Y154 HydrophobicContact CD1-CE2 4.12Å; F150-Y154 AromaticContact CD1-CG 3.92Å; F150-Y154 HydrophobicContact CD1-CG 3.92Å; F150-Y154 HydrophobicContact CE1-CD1 4.44Å; F150-Y154 HydrophobicContact CE1-CE1 4.07Å; F150-Y154 HydrophobicContact CE1-CE2 4.4Å; L151-Y154 HydrophobicContact CB-CD2 3.78Å; L151-Y154 HydrophobicContact CB-CE2 3.81Å; L151-Y154 HydrophobicContact CD1-CE2 4.25Å; L151-Y154 VanDerWaalsContact O-CD2 3.29Å; L151-Y154 WeakPolarHBondContact O-CD2 3.24Å; L151-Y154 PolarHBondContact O-N 3.2Å
155T89.5Confident79Confident51 Ų5162.2 Ų62.231%0.31337%0.365SS..BIsolated β-bridgetrans-125.5156.7-175.756.60000111.1C34 L35C34-T155 VanDerWaalsContact CA-O 3.31Å; C34-T155 WeakPolarHBondContact CA-O 3.47Å; C34-T155 VanDerWaalsContact CB-O 3.27Å; C34-T155 WeakPolarHBondContact CB-O 3.44Å; L35-T155 PolarHBondContact N-O 3.1Å; L35-T155 PolarHBondContact O-N 3.12Å; L35-T155 PolarHBondContact O-OG1 3.11Å
156L87.7Confident77Confident65 Ų6562.1 Ų62.134%0.3437%0.365SS..  trans-65.6149.6175.3-72.4171.8000111.3L149 G158 Q159L149-L156 HydrophobicContact CD1-CD2 4.11Å; L149-L156 HydrophobicContact CD1-CG 3.78Å; L149-L156 HydrophobicContact CD2-CD2 3.92Å; L149-L156 HydrophobicContact CD2-CG 4.23Å; L156-G158 PolarHBondContact O-N 2.87Å; L156-Q159 HydrophobicContact CB-CG 4.33Å; L156-Q159 PolarHBondContact O-N 3.29Å
157P75.8Confident75.1Confident43 Ų4368 Ų6828%0.27939%0.393SS..THydrogen-bonded Turntrans-41.3133.5158.1-34.843.1000112.5L32 H33 Q159 L169L32-P157 HydrophobicContact CD2-CG 4.24Å; L32-P157 HydrophobicContact CG-CG 4.01Å; H33-P157 WeakPolarHBondContact O-CD 3.13Å; P157-Q159 VanDerWaalsContact C-N 3.26Å; P157-Q159 PolarHBondContact O-N 3.14Å; P157-L169 HydrophobicContact CB-CD1 3.82Å; P157-L169 HydrophobicContact CB-CD2 3.53Å; P157-L169 HydrophobicContact CB-CG 4.21Å; P157-L169 HydrophobicContact CG-CD2 4.07Å
158G69.1Low73.2Confident61 Ų6161 Ų6163%0.62936%0.362SS*.THydrogen-bonded Turntrans84.4-17.4174.700000115.3L156 S160L156-G158 PolarHBondContact O-N 2.87Å; G158-S160 VanDerWaalsContact C-N 3.34Å
159Q65.4Low71.6Confident139 Ų13960.6 Ų60.665%0.6536%0.356SS*.SBendtrans-85.6-10.7171.6-66.6-173.6-5.200113L156 P157L156-Q159 HydrophobicContact CB-CG 4.33Å; L156-Q159 PolarHBondContact O-N 3.29Å; P157-Q159 VanDerWaalsContact C-N 3.26Å; P157-Q159 PolarHBondContact O-N 3.14Å
160S57.5Low69.9Low23 Ų2362.7 Ų62.716%0.16137%0.367CS..SBendtrans-88.7122.4173.860.40000109.8G158 N162 L165G158-S160 VanDerWaalsContact C-N 3.34Å; S160-N162 PolarHBondContact O-N 2.74Å; S160-L165 WeakPolarHBondContact OG-CD1 3.4Å
161A49.1Very low68Low101 Ų10168.1 Ų68.184%0.83539%0.392SS*.  trans-72.756.7-171.900000114
162N54.5Low66.3Low66 Ų6669.2 Ų69.235%0.35340%0.399SS..  trans-139.1124.1177.1-80.7-64.9000113.8K37 S160 D164 L165K37-N162 PolarHBondContact NZ-ND2 3.11Å; S160-N162 PolarHBondContact O-N 2.74Å; N162-D164 PolarHBondContact O-N 3.13Å; N162-L165 PolarHBondContact O-N 3.47Å; N162-L165 VanDerWaalsContact O-N 3.14Å
163D53.2Low64.3Low133 Ų13375.9 Ų75.971%0.71143%0.428SS*.Hα-helixtrans-54.3-32.1173.3-56.3-14.2000113L165 E166D163-L165 PolarHBondContact O-N 3.21Å; D163-L165 VanDerWaalsContact O-N 3.11Å; D163-E166 PolarHBondContact O-N 3.14Å; D163-E166 VanDerWaalsContact O-N 3.1Å
164D58.7Low62.5Low123 Ų12378.9 Ų78.966%0.65844%0.442SS*.Hα-helixtrans-61.1-23.1179.5-63.7-26000113.6N162N162-D164 PolarHBondContact O-N 3.13Å
165L60.6Low60.8Low2 Ų280 Ų801%0.0145%0.449CS..Hα-helixtrans-88.6-28.3178.9-80.7159.6000111.6W18 L35 I42 S160 N162 D163 E167 V168 L169W18-L165 HydrophobicContact CH2-CD2 3.62Å; W18-L165 HydrophobicContact CZ3-CD2 4.34Å; L35-L165 HydrophobicContact CD1-CD1 4.09Å; L35-L165 HydrophobicContact CD2-CD1 3.8Å; L35-L165 HydrophobicContact CD2-CD2 3.94Å; I42-L165 HydrophobicContact CD1-CD2 4.35Å; S160-L165 WeakPolarHBondContact OG-CD1 3.4Å; N162-L165 PolarHBondContact O-N 3.47Å; N162-L165 VanDerWaalsContact O-N 3.14Å; D163-L165 PolarHBondContact O-N 3.21Å; D163-L165 VanDerWaalsContact O-N 3.11Å; L165-E167 VanDerWaalsContact C-N 3.29Å; L165-E167 PolarHBondContact O-N 3.36Å; L165-V168 PolarHBondContact O-N 2.66Å; L165-V168 VanDerWaalsContact O-N 3.13Å; L165-L169 HydrophobicContact CB-CD1 4.01Å; L165-L169 HydrophobicContact CB-CG 4.22Å; L165-L169 WeakPolarHBondContact O-CB 3.08Å; L165-L169 WeakPolarHBondContact O-CG 3.34Å; L165-L169 PolarHBondContact O-N 3Å
166E55.6Low59.3Low110 Ų11083 Ų8351%0.51447%0.469SS..Hα-helixtrans-56.9-40.2-170.9-73.9-163.3160.400112.9D163 V168 L169 N170D163-E166 PolarHBondContact O-N 3.14Å; D163-E166 VanDerWaalsContact O-N 3.1Å; E166-V168 PolarHBondContact O-N 2.78Å; E166-L169 PolarHBondContact O-N 2.91Å; E166-N170 WeakPolarHBondContact O-CB 3.15Å; E166-N170 PolarHBondContact O-N 3.09Å; E166-N170 PolarHBondContact O-ND2 3.34Å; E166-N170 VanDerWaalsContact O-ND2 3.1Å
167E56.2Low58.5Low150 Ų15083.9 Ų83.970%0.70147%0.474SS*.Hα-helixtrans-64.3-43.5-179.4-162.8170.8-157.100111.9L165 E171L165-E167 VanDerWaalsContact C-N 3.29Å; L165-E167 PolarHBondContact O-N 3.36Å; E167-E171 PolarHBondContact O-N 2.78Å
168V56.5Low59Low33 Ų3384 Ų8420%0.248%0.476CS..Hα-helixtrans-71.7-33.3177.3-178.40000111.3W18 L165 E166 N172W18-V168 HydrophobicContact CD2-CG2 4.29Å; W18-V168 HydrophobicContact CE3-CB 4.41Å; W18-V168 HydrophobicContact CE3-CG1 4.04Å; W18-V168 HydrophobicContact CE3-CG2 3.8Å; W18-V168 HydrophobicContact CZ3-CB 4.16Å; W18-V168 HydrophobicContact CZ3-CG1 3.89Å; W18-V168 HydrophobicContact CZ3-CG2 3.92Å; L165-V168 PolarHBondContact O-N 2.66Å; L165-V168 VanDerWaalsContact O-N 3.13Å; E166-V168 PolarHBondContact O-N 2.78Å; V168-N172 WeakPolarHBondContact O-CB 3.48Å; V168-N172 PolarHBondContact O-ND2 3.13Å
169L59Low60.1Low14 Ų1482.8 Ų82.87%0.07345%0.454CS..Hα-helixtrans-73-44.4178.2-65-173.1000111.7L32 P157 L165 E166 E171 N172 E173L32-L169 HydrophobicContact CD2-CD2 3.26Å; L32-L169 HydrophobicContact CG-CD2 4.43Å; P157-L169 HydrophobicContact CB-CD1 3.82Å; P157-L169 HydrophobicContact CB-CD2 3.53Å; P157-L169 HydrophobicContact CB-CG 4.21Å; P157-L169 HydrophobicContact CG-CD2 4.07Å; L165-L169 HydrophobicContact CB-CD1 4.01Å; L165-L169 HydrophobicContact CB-CG 4.22Å; L165-L169 WeakPolarHBondContact O-CB 3.08Å; L165-L169 WeakPolarHBondContact O-CG 3.34Å; L165-L169 PolarHBondContact O-N 3Å; E166-L169 PolarHBondContact O-N 2.91Å; L169-E171 VanDerWaalsContact C-N 3.3Å; L169-E171 PolarHBondContact O-N 3.36Å; L169-N172 CarbonylContact O-C 3.54Å; L169-N172 PolarHBondContact O-N 3.01Å; L169-E173 WeakPolarHBondContact O-CG 3.22Å; L169-E173 PolarHBondContact O-N 3.01Å; L169-E173 VanDerWaalsContact O-N 3.13Å
170N56Low61.6Low103 Ų10376.1 Ų76.155%0.55142%0.423SS*.Hα-helixtrans-65.5-30.7-177.2-71.4-21.4000112.6E166 N172E166-N170 WeakPolarHBondContact O-CB 3.15Å; E166-N170 PolarHBondContact O-N 3.09Å; E166-N170 PolarHBondContact O-ND2 3.34Å; E166-N170 VanDerWaalsContact O-ND2 3.1Å; N170-N172 VanDerWaalsContact C-N 3.32Å
171E55.5Low63.3Low132 Ų13278 Ų7862%0.61743%0.428SS*.Hα-helixtrans-75.9-19.9173.2-70.9-167.2174.700113.4K26 E167 L169K26-E171 IonicContact NZ-OE2 2.51Å; E167-E171 PolarHBondContact O-N 2.78Å; L169-E171 VanDerWaalsContact C-N 3.3Å; L169-E171 PolarHBondContact O-N 3.36Å
172N58.4Low65.5Low30 Ų3073.8 Ų73.816%0.1639%0.391CS..Hα-helixtrans-114.34.2-167.9-70.1-44.9000114.5I25 V168 L169 N170 S174I25-N172 WeakPolarHBondContact CG2-OD1 3.2Å; V168-N172 WeakPolarHBondContact O-CB 3.48Å; V168-N172 PolarHBondContact O-ND2 3.13Å; L169-N172 CarbonylContact O-C 3.54Å; L169-N172 PolarHBondContact O-N 3.01Å; N170-N172 VanDerWaalsContact C-N 3.32Å; N172-S174 PolarHBondContact O-N 3.35Å
173E51.2Low67.6Low158 Ų15871.2 Ų71.274%0.73838%0.377SS*.THydrogen-bonded Turntrans-62.4-5.5-173-94.6-164.7161.200115.6L169L169-E173 WeakPolarHBondContact O-CG 3.22Å; L169-E173 PolarHBondContact O-N 3.01Å; L169-E173 VanDerWaalsContact O-N 3.13Å
174S51.9Low69.6Low105 Ų10564.9 Ų64.973%0.73434%0.343SS*.THydrogen-bonded Turntrans-166.396.3161.432.60000108.8N172 P176N172-S174 PolarHBondContact O-N 3.35Å; S174-P176 WeakPolarHBondContact O-CD 3.15Å
175N56.3Low71.4Confident38 Ų3859.4 Ų59.420%0.20331%0.314CS..  trans-82.899.7159.7-169.3-4.1000107.3I25 T31 N177I25-N175 PolarHBondContact O-ND2 3.43Å; T31-N175 HydrophobicContact CG2-CB 4.23Å; N175-N177 PolarHBondContact O-N 3Å; N175-N177 WeakPolarHBondContact OD1-CB 3.06Å; N175-N177 PolarHBondContact OD1-N 2.83Å
176P57.5Low73.1Confident113 Ų11359.3 Ų59.373%0.73431%0.313SS*.THydrogen-bonded Turntrans-65-4.6178.528.7-36.6000112.9S174S174-P176 WeakPolarHBondContact O-CD 3.15Å
177N70.5Confident75.1Confident84 Ų8454 Ų5445%0.44929%0.289SS..THydrogen-bonded Turntrans-10236.7-170.8-57.9-24.8000113.3N175 F179N175-N177 PolarHBondContact O-N 3Å; N175-N177 WeakPolarHBondContact OD1-CB 3.06Å; N175-N177 PolarHBondContact OD1-N 2.83Å; N177-F179 WeakPolarHBondContact O-CD1 3.24Å; N177-F179 PolarHBondContact O-N 2.96Å
178S85.6Confident77.1Confident45 Ų4546.9 Ų46.932%0.31526%0.255SS..  trans-67.6104.3169.2-178.90000109.6G29 S48G29-S178 WeakPolarHBondContact O-CA 3.3Å; S48-S178 PolarHBondContact OG-OG 2.6Å
179F93.2Very high79Confident36 Ų3645.3 Ų45.316%0.15825%0.246CC..  trans-111.9-12.3-175.256-110.1000114F28 N177 I287 A293 T296F28-F179 WeakPolarHBondContact O-CE2 3.27Å; F28-F179 WeakPolarHBondContact O-CZ 3.5Å; N177-F179 WeakPolarHBondContact O-CD1 3.24Å; N177-F179 PolarHBondContact O-N 2.96Å; F179-I287 HydrophobicContact CD2-CD1 3.68Å; F179-I287 HydrophobicContact CE2-CD1 4.16Å; F179-A293 HydrophobicContact CD2-CB 3.78Å; F179-A293 HydrophobicContact CE2-CB 3.89Å; F179-A293 HydrophobicContact CG-CB 4.14Å; F179-A293 HydrophobicContact CZ-CB 4.34Å; F179-T296 HydrophobicContact CE1-CG2 4.03Å
180V96.3Very high80.8Confident0 Ų044.7 Ų44.70%024%0.243CC..EExtended strand (participates in β ladder)trans-83.1125.2177.4177.80000109.3F28 F30 S48 N49 L285 I287F28-V180 WeakPolarHBondContact O-CG2 3.41Å; F30-V180 HydrophobicContact CE2-CG2 4.29Å; S48-V180 CarbonylContact C-O 3.57Å; S48-V180 VanDerWaalsContact O-O 3.14Å; S48-V180 WeakPolarHBondContact OG-CB 3.05Å; S48-V180 PolarHBondContact OG-N 3.42Å; S48-V180 PolarHBondContact OG-O 2.87Å; N49-V180 WeakPolarHBondContact CB-O 3.37Å; N49-V180 PolarHBondContact ND2-O 3.29Å; V180-L285 HydrophobicContact CG1-CB 3.89Å; V180-L285 HydrophobicContact CG1-CD1 4.31Å; V180-L285 HydrophobicContact CG1-CD2 4.01Å; V180-L285 HydrophobicContact CG1-CG 4.29Å; V180-L285 HydrophobicContact CG2-CB 4.21Å; V180-L285 HydrophobicContact CG2-CD1 3.78Å; V180-I287 HydrophobicContact CB-CD1 4.17Å; V180-I287 HydrophobicContact CG2-CD1 3.73Å
181K94.5Very high82.7Confident62 Ų6245 Ų4527%0.2724%0.241SC..EExtended strand (participates in β ladder)trans-83.9-50-178.8-58.217572.1128.50112.5N49 Q50 A286 D288N49-K181 WeakPolarHBondContact CB-O 3.29Å; Q50-K181 WeakPolarHBondContact CB-O 3.48Å; Q50-K181 PolarHBondContact N-O 3.33Å; K181-A286 HydrophobicContact CB-CB 4.32Å; K181-A286 WeakPolarHBondContact CB-O 3.35Å; K181-A286 PolarHBondContact N-O 3.37Å; K181-D288 WeakPolarHBondContact CD-OD1 3.19Å; K181-D288 WeakPolarHBondContact CD-OD2 3.46Å; K181-D288 IonicContact NZ-OD1 2.85Å; K181-D288 PolarHBondContact NZ-OD1 2.93Å; K181-D288 IonicContact NZ-OD2 3.79Å; K181-D288 PolarHBondContact NZ-OD2 2.94Å
182Y95.1Very high84.5Confident13 Ų1343 Ų435%0.05123%0.234CC..EExtended strand (participates in β ladder)trans-163.3166.4-176.854.9-98.8000109.6D184 N250 A286Y182-D184 HydrophobicContact CE2-CB 4.21Å; Y182-D184 PolarHBondContact O-N 3.4Å; Y182-N250 HydrophobicContact CD1-CB 4.36Å; Y182-N250 HydrophobicContact CE1-CB 3.92Å; Y182-N250 WeakPolarHBondContact CE1-OD1 3.37Å; Y182-N250 HydrophobicContact CE2-CB 4.42Å; Y182-N250 PolarHBondContact OH-OD1 2.82Å; Y182-A286 HydrophobicContact CD1-CB 4.04Å; Y182-A286 HydrophobicContact CD2-CB 3.64Å; Y182-A286 HydrophobicContact CE1-CB 3.83Å; Y182-A286 HydrophobicContact CE2-CB 3.38Å; Y182-A286 HydrophobicContact CG-CB 3.95Å; Y182-A286 VanDerWaalsContact CZ-CB 3.49Å; Y182-A286 PolarHBondContact O-N 2.81Å
183T96.9Very high86.2Confident12 Ų1243.4 Ų43.47%0.07424%0.244CC..EExtended strand (participates in β ladder)trans-77.5109.8168.6-54.50000108.8S51 I186 C252 M283 G284S51-T183 PolarHBondContact OG-OG1 2.89Å; T183-I186 HydrophobicContact CG2-CD1 4.38Å; T183-I186 HydrophobicContact CG2-CG1 3.9Å; T183-C252 WeakPolarHBondContact O-CB 3.29Å; T183-M283 HydrophobicContact CG2-CE 3.73Å; T183-G284 CarbonylContact C-O 3.54Å; T183-G284 WeakPolarHBondContact CA-O 3.42Å
184D95.7Very high88.3Confident0 Ų037.6 Ų37.60%022%0.218CC..EExtended strand (participates in β ladder)trans-69.5-44.8-175.9-178.2-104.3000112.3Y182 C252 K253 G284 A286 I371 R373Y182-D184 HydrophobicContact CE2-CB 4.21Å; Y182-D184 PolarHBondContact O-N 3.4Å; D184-C252 WeakPolarHBondContact O-CA 3.47Å; D184-K253 PolarHBondContact O-N 2.95Å; D184-K253 VanDerWaalsContact O-N 3.1Å; D184-G284 PolarHBondContact N-O 2.88Å; D184-A286 HydrophobicContact CB-CB 4.29Å; D184-I371 HydrophobicContact CB-CG2 3.61Å; D184-R373 IonicContact OD1-CZ 2.66Å; D184-R373 IonicContact OD1-NE 3.66Å; D184-R373 IonicContact OD1-NH2 2.95Å; D184-R373 PolarHBondContact OD1-NH2 2.88Å; D184-R373 IonicContact OD2-CZ 3.21Å; D184-R373 IonicContact OD2-NE 3.48Å; D184-R373 PolarHBondContact OD2-NE 3.41Å; D184-R373 IonicContact OD2-NH2 3.66Å; D184-R373 PolarHBondContact OD2-NH2 3.33Å
185H96.4Very high90.3Very high7 Ų732.7 Ų32.73%0.03218%0.184CC..EExtended strand (participates in β ladder)trans-158.6163.3177.464.5-90.1000111K253 V255 H282 G284 E369H185-K253 CarbonylContact C-O 3.52Å; H185-K253 WeakPolarHBondContact CA-O 3.26Å; H185-K253 HydrophobicContact CB-CB 4.02Å; H185-K253 VanDerWaalsContact CB-O 3.24Å; H185-K253 WeakPolarHBondContact CB-O 3.11Å; H185-V255 HydrophobicContact CB-CG2 4.43Å; H185-H282 AromaticContact CD2-NE2 3.86Å; H185-H282 AromaticContact NE2-CD2 3.63Å; H185-H282 AromaticContact NE2-NE2 3.28Å; H185-H282 PolarHBondContact NE2-NE2 3.48Å; H185-G284 PolarHBondContact O-N 2.94Å; H185-E369 IonicContact CE1-OE1 3.78Å; H185-E369 IonicContact CE1-OE2 3.37Å; H185-E369 PolarHBondContact CE1-OE2 3.39Å; H185-E369 IonicContact NE2-OE2 3.97Å; H185-E369 PolarHBondContact NE2-OE2 3.5Å; H185-E369 VanDerWaalsContact NE2-OE2 3.08Å
186I97.8Very high92.1Very high0 Ų035.2 Ų35.20%020%0.198CC..EExtended strand (participates in β ladder)trans-124.8123.1172.3-64.6173.7000107.3V7 V10 I87 T183 I188 K253 F254 V255 L280 M283V7-I186 HydrophobicContact CG1-CD1 4.28Å; V7-I186 HydrophobicContact CG2-CD1 4.26Å; V10-I186 HydrophobicContact CG2-CD1 3.89Å; I87-I186 HydrophobicContact CD1-CD1 4.09Å; I87-I186 HydrophobicContact CD1-CG2 3.81Å; I87-I186 HydrophobicContact CG1-CD1 4.3Å; I87-I186 HydrophobicContact CG2-CD1 3.85Å; T183-I186 HydrophobicContact CG2-CD1 4.38Å; T183-I186 HydrophobicContact CG2-CG1 3.9Å; I186-I188 HydrophobicContact CG2-CG1 4.31Å; I186-K253 PolarHBondContact N-O 3.33Å; I186-F254 HydrophobicContact CD1-CE1 4.43Å; I186-F254 HydrophobicContact CD1-CZ 4.44Å; I186-F254 WeakPolarHBondContact O-CA 3.16Å; I186-V255 PolarHBondContact O-N 2.88Å; I186-L280 HydrophobicContact CG2-CD1 3.71Å; I186-L280 HydrophobicContact CG2-CD2 3.89Å; I186-L280 HydrophobicContact CG2-CG 3.48Å; I186-L280 VanDerWaalsContact CG2-CG 3.48Å; I186-M283 HydrophobicContact CG1-CG 4.37Å
187A96.6Very high93.9Very high0 Ų033.4 Ų33.40%018%0.184CC..EExtended strand (participates in β ladder)trans-96.3134.8174.600000111.2V255 Q281 H282A187-V255 CarbonylContact C-O 3.53Å; A187-V255 VanDerWaalsContact CA-O 3.22Å; A187-V255 WeakPolarHBondContact CA-O 3.42Å; A187-V255 HydrophobicContact CB-CB 4.35Å; A187-Q281 PolarHBondContact O-N 2.95Å; A187-H282 WeakPolarHBondContact CB-CE1 2.99Å; A187-H282 VanDerWaalsContact CB-ND1 3.3Å; A187-H282 WeakPolarHBondContact CB-ND1 3.44Å; A187-H282 WeakPolarHBondContact CB-NE2 3.14Å; A187-H282 PolarHBondContact N-O 2.94Å; A187-H282 PolarHBondContact O-N 3.14Å
188I97.6Very high95.2Very high0 Ų029.5 Ų29.50%016%0.163CC..EExtended strand (participates in β ladder)trans-123119.9-176.8-69165.9000107.6I87 V133 L136 I186 F198 F254 V255 F256 V257 G279I87-I188 HydrophobicContact CD1-CD1 4.31Å; V133-I188 HydrophobicContact CB-CG2 4.25Å; V133-I188 HydrophobicContact CG1-CG2 3.36Å; V133-I188 HydrophobicContact CG2-CG2 3.87Å; L136-I188 HydrophobicContact CD2-CD1 4.05Å; L136-I188 HydrophobicContact CD2-CG1 4.42Å; I186-I188 HydrophobicContact CG2-CG1 4.31Å; I188-F198 HydrophobicContact CG2-CD2 4.35Å; I188-F198 HydrophobicContact CG2-CE2 4.09Å; I188-F254 HydrophobicContact CD1-CD2 3.95Å; I188-F254 HydrophobicContact CD1-CE2 4.4Å; I188-V255 PolarHBondContact N-O 2.77Å; I188-F256 HydrophobicContact CB-CD1 4.04Å; I188-F256 HydrophobicContact CB-CE1 4.46Å; I188-F256 HydrophobicContact CD1-CD1 4.42Å; I188-F256 HydrophobicContact CD1-CE1 3.98Å; I188-F256 HydrophobicContact CG2-CD1 4.31Å; I188-F256 CarbonylContact O-C 3.51Å; I188-F256 WeakPolarHBondContact O-CA 3.43Å; I188-V257 PolarHBondContact O-N 2.91Å; I188-G279 CarbonylContact C-O 3.6Å; I188-G279 WeakPolarHBondContact CA-O 3.45Å
189A96.3Very high95.7Very high0 Ų028.4 Ų28.40%016%0.155CC..EExtended strand (participates in β ladder)trans-88.8135.317600000110.6V257 V268 F271 L272 P278 G279 Q281A189-V257 CarbonylContact C-O 3.59Å; A189-V257 VanDerWaalsContact CA-O 3.26Å; A189-V257 WeakPolarHBondContact CA-O 3.43Å; A189-V268 HydrophobicContact CB-CG1 4.26Å; A189-F271 HydrophobicContact CB-CD1 3.44Å; A189-F271 VanDerWaalsContact CB-CD1 3.44Å; A189-F271 HydrophobicContact CB-CE1 3.65Å; A189-F271 HydrophobicContact CB-CG 4.34Å; A189-L272 HydrophobicContact CB-CD2 4.37Å; A189-P278 CarbonylContact O-C 3.46Å; A189-P278 WeakPolarHBondContact O-CA 3.22Å; A189-P278 WeakPolarHBondContact O-CB 3.33Å; A189-G279 PolarHBondContact N-O 3.12Å; A189-G279 PolarHBondContact O-N 3.05Å; A189-Q281 HydrophobicContact CB-CB 4.15Å
190G96.8Very high95.8Very high1 Ų130.5 Ų30.51%0.0117%0.167CC..  trans-127.7171.1174.600000112.3D194 V257 P259 L272G190-D194 WeakPolarHBondContact CA-OD2 3.37Å; G190-V257 PolarHBondContact N-O 2.89Å; G190-P259 WeakPolarHBondContact O-CD 3.37Å; G190-L272 WeakPolarHBondContact O-CD1 3.31Å
191E96Very high95.8Very high109 Ų10930.6 Ų30.651%0.50917%0.168SC..  trans-74.8172.4171.3-60.8-169.5174.400111.5G193 D194 E258 L272 P278E191-G193 PolarHBondContact O-N 2.89Å; E191-G193 VanDerWaalsContact O-N 3.14Å; E191-D194 PolarHBondContact N-OD2 2.94Å; E191-D194 WeakPolarHBondContact O-CB 3.35Å; E191-D194 PolarHBondContact O-N 2.88Å; E191-D194 VanDerWaalsContact O-N 3.07Å; E191-E258 WeakPolarHBondContact O-CB 3.04Å; E191-L272 HydrophobicContact CG-CD1 4.26Å; E191-P278 HydrophobicContact CG-CG 4.28Å
192I94.7Very high95.9Very high91 Ų9127.6 Ų27.647%0.46716%0.155SC..THydrogen-bonded Turntrans-59.3119.5-179.6-58.3177.3000109.7P259 K261I192-P259 HydrophobicContact CG1-CG 3.77Å; I192-K261 HydrophobicContact CG2-CG 3.77Å
193G93Very high95.9Very high37 Ų3731.8 Ų31.838%0.38117%0.173SC..THydrogen-bonded Turntrans91.5-2-179.800000115.5E191 E258E191-G193 PolarHBondContact O-N 2.89Å; E191-G193 VanDerWaalsContact O-N 3.14Å; G193-E258 VanDerWaalsContact N-CD 3.29Å; G193-E258 PolarHBondContact N-OE1 3.27Å; G193-E258 PolarHBondContact N-OE2 3.09Å
194D95.9Very high95.8Very high36 Ų3634 Ų3419%0.19319%0.187CC..Hα-helixtrans-69.9-31.2-179-84.6-5.9000113.3G190 E191 D196 T197 F198 E258G190-D194 WeakPolarHBondContact CA-OD2 3.37Å; E191-D194 PolarHBondContact N-OD2 2.94Å; E191-D194 WeakPolarHBondContact O-CB 3.35Å; E191-D194 PolarHBondContact O-N 2.88Å; E191-D194 VanDerWaalsContact O-N 3.07Å; D194-D196 VanDerWaalsContact C-N 3.28Å; D194-D196 PolarHBondContact O-N 3.09Å; D194-T197 WeakPolarHBondContact O-CA 3.3Å; D194-T197 WeakPolarHBondContact O-CB 3.45Å; D194-T197 PolarHBondContact O-N 2.95Å; D194-F198 HydrophobicContact CB-CD1 4.39Å; D194-F198 HydrophobicContact CB-CD2 4.27Å; D194-F198 HydrophobicContact CB-CE1 3.85Å; D194-F198 HydrophobicContact CB-CE2 3.73Å; D194-F198 HydrophobicContact CB-CZ 3.49Å; D194-F198 VanDerWaalsContact CB-CZ 3.49Å; D194-F198 WeakPolarHBondContact O-CD1 3.36Å; D194-F198 WeakPolarHBondContact O-CG 3.5Å; D194-F198 PolarHBondContact O-N 3.48Å; D194-F198 WeakPolarHBondContact OD2-CZ 3.18Å; D194-E258 PolarHBondContact N-OE2 3.08Å; D194-E258 VanDerWaalsContact N-OE2 3.13Å
195S94.3Very high95.9Very high2 Ų234 Ų341%0.01419%0.187CC..Hα-helixtrans-57.8-36.5-172.259.50000113.2F198 V199 E258S195-F198 PolarHBondContact O-N 3.26Å; S195-V199 WeakPolarHBondContact O-CB 3.13Å; S195-V199 WeakPolarHBondContact O-CG2 3.46Å; S195-V199 PolarHBondContact O-N 3.29Å; S195-E258 WeakPolarHBondContact CA-OE2 3.39Å; S195-E258 WeakPolarHBondContact CB-OE2 3.23Å; S195-E258 PolarHBondContact N-OE2 3.45Å; S195-E258 PolarHBondContact OG-OE2 2.91Å
196D93.9Very high95.9Very high92 Ų9233.6 Ų33.649%0.49219%0.185SC..Hα-helixtrans-68.1-41.7175.5-77.1-35.5000112.1D194 F198 N200 K235D194-D196 VanDerWaalsContact C-N 3.28Å; D194-D196 PolarHBondContact O-N 3.09Å; D196-F198 VanDerWaalsContact C-N 3.33Å; D196-N200 VanDerWaalsContact O-CB 3.29Å; D196-N200 WeakPolarHBondContact O-CB 3.34Å; D196-N200 PolarHBondContact O-N 2.65Å; D196-K235 VanDerWaalsContact CG-NZ 3.28Å; D196-K235 IonicContact OD1-NZ 3.08Å; D196-K235 PolarHBondContact OD1-NZ 2.87Å; D196-K235 IonicContact OD2-NZ 3.89Å; D196-K235 PolarHBondContact OD2-NZ 3.41Å
197T95.2Very high95.7Very high74 Ų7434.4 Ų34.445%0.45419%0.193SC..Hα-helixtrans-61.5-44.9174.7-59.10000110.3D194 N200 W201D194-T197 WeakPolarHBondContact O-CA 3.3Å; D194-T197 WeakPolarHBondContact O-CB 3.45Å; D194-T197 PolarHBondContact O-N 2.95Å; T197-N200 PolarHBondContact O-N 3.27Å; T197-W201 VanDerWaalsContact O-CB 3.3Å; T197-W201 WeakPolarHBondContact O-CB 3.42Å; T197-W201 PolarHBondContact O-N 2.82Å
198F96.9Very high95.6Very high3 Ų334.4 Ų34.41%0.01319%0.193CC..Hα-helixtrans-63.6-52.3178.9-62.6-8.8000111.1C132 V133 I188 D194 S195 D196 N200 W201 Y202 F256 P278C132-F198 HydrophobicContact CB-CD1 4.48Å; C132-F198 VanDerWaalsContact SG-CD1 3.58Å; V133-F198 HydrophobicContact CB-CE1 4.26Å; V133-F198 HydrophobicContact CB-CZ 4.2Å; V133-F198 HydrophobicContact CG1-CE2 4.34Å; V133-F198 HydrophobicContact CG1-CZ 4.08Å; V133-F198 HydrophobicContact CG2-CD1 3.84Å; V133-F198 HydrophobicContact CG2-CD2 4.12Å; V133-F198 HydrophobicContact CG2-CE1 3.77Å; V133-F198 HydrophobicContact CG2-CE2 4.04Å; V133-F198 HydrophobicContact CG2-CG 4.02Å; V133-F198 HydrophobicContact CG2-CZ 3.87Å; I188-F198 HydrophobicContact CG2-CD2 4.35Å; I188-F198 HydrophobicContact CG2-CE2 4.09Å; D194-F198 HydrophobicContact CB-CD1 4.39Å; D194-F198 HydrophobicContact CB-CD2 4.27Å; D194-F198 HydrophobicContact CB-CE1 3.85Å; D194-F198 HydrophobicContact CB-CE2 3.73Å; D194-F198 HydrophobicContact CB-CZ 3.49Å; D194-F198 VanDerWaalsContact CB-CZ 3.49Å; D194-F198 WeakPolarHBondContact O-CD1 3.36Å; D194-F198 WeakPolarHBondContact O-CG 3.5Å; D194-F198 PolarHBondContact O-N 3.48Å; D194-F198 WeakPolarHBondContact OD2-CZ 3.18Å; S195-F198 PolarHBondContact O-N 3.26Å; D196-F198 VanDerWaalsContact C-N 3.33Å; F198-N200 VanDerWaalsContact C-N 3.29Å; F198-N200 PolarHBondContact O-N 3.06Å; F198-W201 PolarHBondContact O-N 2.91Å; F198-W201 VanDerWaalsContact O-N 3.14Å; F198-Y202 VanDerWaalsContact O-CD2 3.28Å; F198-Y202 WeakPolarHBondContact O-CD2 3.28Å; F198-Y202 PolarHBondContact O-N 2.94Å; F198-F256 HydrophobicContact CB-CD1 3.78Å; F198-F256 HydrophobicContact CB-CD2 4.02Å; F198-F256 HydrophobicContact CB-CE1 3.89Å; F198-F256 HydrophobicContact CB-CE2 4.1Å; F198-F256 HydrophobicContact CB-CG 3.87Å; F198-F256 HydrophobicContact CB-CZ 4.06Å; F198-F256 HydrophobicContact CD2-CB 4.2Å; F198-F256 AromaticContact CD2-CD1 3.73Å; F198-F256 HydrophobicContact CD2-CD1 3.73Å; F198-F256 HydrophobicContact CD2-CE1 4.43Å; F198-F256 HydrophobicContact CD2-CG 4.06Å; F198-F256 HydrophobicContact CG-CD1 4.21Å; F198-P278 HydrophobicContact CZ-CB 4.15Å
199V95.8Very high95.4Very high22 Ų2239.3 Ų39.313%0.13322%0.216CC..Hα-helixtrans-54.1-47.4177.2169.90000110.9S195 W201 K203 K235 V237 F256S195-V199 WeakPolarHBondContact O-CB 3.13Å; S195-V199 WeakPolarHBondContact O-CG2 3.46Å; S195-V199 PolarHBondContact O-N 3.29Å; V199-W201 PolarHBondContact O-N 3.44Å; V199-K203 VanDerWaalsContact O-CB 3.23Å; V199-K203 WeakPolarHBondContact O-CB 3.23Å; V199-K203 PolarHBondContact O-N 2.91Å; V199-K235 HydrophobicContact CG2-CB 4.06Å; V199-K235 HydrophobicContact CG2-CD 4.32Å; V199-V237 HydrophobicContact CB-CG1 4.37Å; V199-V237 HydrophobicContact CG1-CG1 4.07Å; V199-V237 HydrophobicContact CG2-CG1 4.03Å; V199-F256 HydrophobicContact CB-CE2 4.48Å; V199-F256 HydrophobicContact CG2-CD2 3.62Å; V199-F256 HydrophobicContact CG2-CE2 3.76Å
200N95.5Very high95.2Very high79 Ų7942 Ų4242%0.42223%0.226SC..Hα-helixtrans-65.9-38.9-179.4-174.147.4000112.6F104 D196 T197 F198 T204F104-N200 WeakPolarHBondContact CZ-ND2 3.31Å; D196-N200 VanDerWaalsContact O-CB 3.29Å; D196-N200 WeakPolarHBondContact O-CB 3.34Å; D196-N200 PolarHBondContact O-N 2.65Å; T197-N200 PolarHBondContact O-N 3.27Å; F198-N200 VanDerWaalsContact C-N 3.29Å; F198-N200 PolarHBondContact O-N 3.06Å; N200-T204 VanDerWaalsContact O-CB 3.28Å; N200-T204 WeakPolarHBondContact O-CB 3.12Å; N200-T204 PolarHBondContact O-N 2.72Å; N200-T204 PolarHBondContact O-OG1 2.93Å
201W96.6Very high94.9Very high2 Ų242.3 Ų42.31%0.00823%0.227CC..Hα-helixtrans-67.2-49.2178.8-174.392.9000111.5V101 F104 C132 H138 T197 F198 V199 K203 T204 V205 F206V101-W201 HydrophobicContact CG2-CZ2 4.2Å; F104-W201 AromaticContact CD1-CD1 3.51Å; F104-W201 HydrophobicContact CE1-CB 4.32Å; F104-W201 AromaticContact CE1-CD1 3.6Å; F104-W201 HydrophobicContact CE1-CG 4.36Å; C132-W201 HydrophobicContact CB-CB 3.89Å; C132-W201 HydrophobicContact CB-CD2 3.91Å; C132-W201 HydrophobicContact CB-CG 3.53Å; C132-W201 WeakPolarHBondContact SG-CB 3.39Å; C132-W201 VanDerWaalsContact SG-CD2 3.54Å; H138-W201 AromaticContact CD2-CH2 3.56Å; H138-W201 AromaticContact CD2-CZ3 3.83Å; H138-W201 AromaticContact NE2-CZ3 3.92Å; T197-W201 VanDerWaalsContact O-CB 3.3Å; T197-W201 WeakPolarHBondContact O-CB 3.42Å; T197-W201 PolarHBondContact O-N 2.82Å; F198-W201 PolarHBondContact O-N 2.91Å; F198-W201 VanDerWaalsContact O-N 3.14Å; V199-W201 PolarHBondContact O-N 3.44Å; W201-K203 VanDerWaalsContact C-N 3.31Å; W201-K203 PolarHBondContact O-N 3.28Å; W201-T204 PolarHBondContact O-N 3.08Å; W201-V205 HydrophobicContact CD2-CG2 4Å; W201-V205 HydrophobicContact CG-CG2 4.3Å; W201-V205 HydrophobicContact CH2-CG1 4.38Å; W201-V205 HydrophobicContact CZ2-CB 4.47Å; W201-V205 HydrophobicContact CZ2-CG1 4.38Å; W201-V205 HydrophobicContact CZ2-CG2 4Å; W201-V205 WeakPolarHBondContact O-CB 3.35Å; W201-V205 WeakPolarHBondContact O-CG2 3.33Å; W201-V205 PolarHBondContact O-N 3.08Å; W201-F206 HydrophobicContact CE3-CE2 4.49Å; W201-F206 AromaticContact CH2-CE2 3.64Å; W201-F206 HydrophobicContact CH2-CE2 3.64Å; W201-F206 HydrophobicContact CH2-CZ 4.27Å; W201-F206 HydrophobicContact CZ3-CD2 4.14Å; W201-F206 AromaticContact CZ3-CE2 3.51Å; W201-F206 HydrophobicContact CZ3-CE2 3.51Å
202Y96.9Very high94.5Very high0 Ų042.2 Ų42.20%023%0.226CC..Hα-helixtrans-64.3-35.6177.2-80.6-82.5000112.2V133 H138 F198 F206 G207 M208 F254 F256V133-Y202 HydrophobicContact CG2-CE2 4.29Å; H138-Y202 PolarHBondContact CE1-OH 3.41Å; H138-Y202 VanDerWaalsContact CE1-OH 3.23Å; H138-Y202 AromaticContact NE2-CE1 3.72Å; H138-Y202 AromaticContact NE2-CZ 3.55Å; H138-Y202 PolarHBondContact NE2-OH 3.04Å; F198-Y202 VanDerWaalsContact O-CD2 3.28Å; F198-Y202 WeakPolarHBondContact O-CD2 3.28Å; F198-Y202 PolarHBondContact O-N 2.94Å; Y202-F206 AromaticContact CD1-CD2 3.72Å; Y202-F206 HydrophobicContact CD1-CD2 3.72Å; Y202-F206 HydrophobicContact CD1-CE2 4.12Å; Y202-F206 HydrophobicContact CE1-CD2 4.25Å; Y202-F206 HydrophobicContact CE1-CE2 4.21Å; Y202-F206 WeakPolarHBondContact O-CA 3.39Å; Y202-F206 WeakPolarHBondContact O-CB 3.48Å; Y202-F206 PolarHBondContact O-N 2.9Å; Y202-G207 PolarHBondContact O-N 2.94Å; Y202-M208 HydrophobicContact CD1-SD 3.76Å; Y202-M208 HydrophobicContact CG-SD 4.32Å; Y202-M208 PolarHBondContact O-N 2.77Å; Y202-F254 HydrophobicContact CD1-CD2 4.18Å; Y202-F254 HydrophobicContact CD1-CE2 4.36Å; Y202-F254 AromaticContact CE1-CD2 3.62Å; Y202-F254 HydrophobicContact CE1-CD2 3.62Å; Y202-F254 AromaticContact CE1-CE2 3.55Å; Y202-F254 HydrophobicContact CE1-CE2 3.55Å; Y202-F254 AromaticContact CZ-CD2 3.8Å; Y202-F254 AromaticContact CZ-CE2 3.93Å; Y202-F256 AromaticContact CD2-CE1 3.73Å; Y202-F256 HydrophobicContact CD2-CE1 3.73Å; Y202-F256 HydrophobicContact CD2-CE2 4.3Å; Y202-F256 AromaticContact CD2-CZ 3.28Å; Y202-F256 HydrophobicContact CD2-CZ 3.28Å; Y202-F256 AromaticContact CE2-CE1 3.54Å; Y202-F256 HydrophobicContact CE2-CE1 3.54Å; Y202-F256 AromaticContact CE2-CZ 3.62Å; Y202-F256 HydrophobicContact CE2-CZ 3.62Å; Y202-F256 AromaticContact CG-CZ 3.99Å; Y202-F256 HydrophobicContact CG-CZ 3.99Å
203K95.6Very high93.9Very high101 Ų10138.3 Ų38.344%0.43921%0.205SC..Hα-helixtrans-62.9-49171.2-178.3174.3-175.6168.40112V199 W201 G207 M208 E209V199-K203 VanDerWaalsContact O-CB 3.23Å; V199-K203 WeakPolarHBondContact O-CB 3.23Å; V199-K203 PolarHBondContact O-N 2.91Å; W201-K203 VanDerWaalsContact C-N 3.31Å; W201-K203 PolarHBondContact O-N 3.28Å; K203-G207 WeakPolarHBondContact O-CA 3.29Å; K203-G207 PolarHBondContact O-N 3.45Å; K203-M208 VanDerWaalsContact CA-O 3.27Å; K203-M208 WeakPolarHBondContact CA-O 3.39Å; K203-M208 WeakPolarHBondContact CB-O 3.21Å; K203-E209 IonicContact NZ-OE2 2.77Å
204T95.4Very high93.2Very high57 Ų5737.5 Ų37.535%0.3519%0.192SC..Hα-helixtrans-70.1-46.9-174.7-58.30000112R100 F104 N200 W201R100-T204 WeakPolarHBondContact CD-O 3.38Å; F104-T204 HydrophobicContact CD2-CG2 3.72Å; F104-T204 HydrophobicContact CE2-CG2 4.2Å; N200-T204 VanDerWaalsContact O-CB 3.28Å; N200-T204 WeakPolarHBondContact O-CB 3.12Å; N200-T204 PolarHBondContact O-N 2.72Å; N200-T204 PolarHBondContact O-OG1 2.93Å; W201-T204 PolarHBondContact O-N 3.08Å
205V96.8Very high92.2Very high0 Ų042.2 Ų42.20%022%0.216CC..Hα-helixtrans-74.8-50.6-176.5177.10000110.8V97 R100 V101 W201V97-V205 HydrophobicContact CG1-CG1 3.89Å; R100-V205 WeakPolarHBondContact CD-O 3.24Å; R100-V205 PolarHBondContact NH1-O 2.78Å; V101-V205 HydrophobicContact CG2-CG1 3.74Å; V101-V205 HydrophobicContact CG2-CG2 4.08Å; W201-V205 HydrophobicContact CD2-CG2 4Å; W201-V205 HydrophobicContact CG-CG2 4.3Å; W201-V205 HydrophobicContact CH2-CG1 4.38Å; W201-V205 HydrophobicContact CZ2-CB 4.47Å; W201-V205 HydrophobicContact CZ2-CG1 4.38Å; W201-V205 HydrophobicContact CZ2-CG2 4Å; W201-V205 WeakPolarHBondContact O-CB 3.35Å; W201-V205 WeakPolarHBondContact O-CG2 3.33Å; W201-V205 PolarHBondContact O-N 3.08Å
206F96.5Very high91.2Very high0 Ų049.6 Ų49.60%025%0.251CS..Hα-helixtrans-104.1-14.2-171.3-64.4-67000114.9S2 L3 L4 L89 V91 V97 I140 W201 Y202 M208S2-F206 CarbonylContact C-O 3.54Å; S2-F206 WeakPolarHBondContact CA-O 3.43Å; S2-F206 PolarHBondContact OG-O 2.71Å; L3-F206 PolarHBondContact N-O 2.96Å; L4-F206 HydrophobicContact CB-CB 4.15Å; L4-F206 HydrophobicContact CB-CD1 4.43Å; L89-F206 HydrophobicContact CD1-CD1 4.29Å; L89-F206 HydrophobicContact CD1-CD2 4.33Å; L89-F206 HydrophobicContact CD1-CE1 3.7Å; L89-F206 HydrophobicContact CD1-CE2 3.71Å; L89-F206 HydrophobicContact CD1-CZ 3.38Å; V91-F206 HydrophobicContact CG1-CD1 4.38Å; V91-F206 HydrophobicContact CG1-CE1 4.27Å; V97-F206 HydrophobicContact CG1-CE1 3.75Å; V97-F206 HydrophobicContact CG1-CZ 4.2Å; V97-F206 HydrophobicContact CG2-CD1 4.35Å; V97-F206 HydrophobicContact CG2-CE1 4.17Å; I140-F206 HydrophobicContact CD1-CE1 3.66Å; I140-F206 HydrophobicContact CD1-CZ 3.64Å; W201-F206 HydrophobicContact CE3-CE2 4.49Å; W201-F206 AromaticContact CH2-CE2 3.64Å; W201-F206 HydrophobicContact CH2-CE2 3.64Å; W201-F206 HydrophobicContact CH2-CZ 4.27Å; W201-F206 HydrophobicContact CZ3-CD2 4.14Å; W201-F206 AromaticContact CZ3-CE2 3.51Å; W201-F206 HydrophobicContact CZ3-CE2 3.51Å; Y202-F206 AromaticContact CD1-CD2 3.72Å; Y202-F206 HydrophobicContact CD1-CD2 3.72Å; Y202-F206 HydrophobicContact CD1-CE2 4.12Å; Y202-F206 HydrophobicContact CE1-CD2 4.25Å; Y202-F206 HydrophobicContact CE1-CE2 4.21Å; Y202-F206 WeakPolarHBondContact O-CA 3.39Å; Y202-F206 WeakPolarHBondContact O-CB 3.48Å; Y202-F206 PolarHBondContact O-N 2.9Å; F206-M208 VanDerWaalsContact C-N 3.35Å; F206-M208 HydrophobicContact CB-CG 3.97Å; F206-M208 HydrophobicContact CB-SD 4.48Å
207G94.1Very high90.7Very high16 Ų1646.3 Ų46.317%0.16523%0.232CC..  trans73.226.9-172.900000113.2Y202 K203Y202-G207 PolarHBondContact O-N 2.94Å; K203-G207 WeakPolarHBondContact O-CA 3.29Å; K203-G207 PolarHBondContact O-N 3.45Å
208M94.6Very high90.2Very high0 Ų046 Ų460%023%0.228CC..  trans-74.4141.9172.2-61.6-178.879.200110.3L4 Y202 K203 F206 V237 H239 F254L4-M208 HydrophobicContact CD2-CE 3.98Å; L4-M208 HydrophobicContact CD2-CG 4.14Å; L4-M208 HydrophobicContact CD2-SD 3.69Å; Y202-M208 HydrophobicContact CD1-SD 3.76Å; Y202-M208 HydrophobicContact CG-SD 4.32Å; Y202-M208 PolarHBondContact O-N 2.77Å; K203-M208 VanDerWaalsContact CA-O 3.27Å; K203-M208 WeakPolarHBondContact CA-O 3.39Å; K203-M208 WeakPolarHBondContact CB-O 3.21Å; F206-M208 VanDerWaalsContact C-N 3.35Å; F206-M208 HydrophobicContact CB-CG 3.97Å; F206-M208 HydrophobicContact CB-SD 4.48Å; M208-V237 HydrophobicContact CB-CB 4.09Å; M208-V237 HydrophobicContact CB-CG2 4.22Å; M208-V237 HydrophobicContact CE-CB 4.43Å; M208-V237 HydrophobicContact CE-CG2 3.79Å; M208-V237 HydrophobicContact SD-CG2 4.09Å; M208-H239 HydrophobicContact CG-CB 4.11Å; M208-F254 HydrophobicContact CE-CB 4.26Å; M208-F254 HydrophobicContact CE-CD1 3.91Å; M208-F254 HydrophobicContact CE-CE1 4.48Å; M208-F254 HydrophobicContact CE-CG 4.06Å
209E92.7Very high89.5Confident104 Ų10453.2 Ų53.249%0.48626%0.261SS..EExtended strand (participates in β ladder)trans-106.2149-179.3-66-64.2164.900111.3K203 V237 C238K203-E209 IonicContact NZ-OE2 2.77Å; E209-V237 CarbonylContact O-C 3.59Å; E209-V237 WeakPolarHBondContact O-CA 3.42Å; E209-C238 PolarHBondContact N-O 2.82Å; E209-C238 PolarHBondContact O-N 2.52Å
210R92.4Very high88.8Confident57 Ų5755.9 Ų55.922%0.21528%0.281CS..EExtended strand (participates in β ladder)trans-63.3132.1174.7-176.675.5-172.1802.1110F212 E217 K235 A236R210-F212 HydrophobicContact CG-CE1 4.47Å; R210-E217 IonicContact CZ-OE1 3.59Å; R210-E217 IonicContact CZ-OE2 3.08Å; R210-E217 IonicContact NE-OE1 2.74Å; R210-E217 IonicContact NH1-OE2 3.34Å; R210-E217 IonicContact NH2-OE1 3.23Å; R210-E217 PolarHBondContact NH2-OE1 2.91Å; R210-E217 IonicContact NH2-OE2 3.6Å; R210-E217 PolarHBondContact NH2-OE2 2.93Å; R210-K235 VanDerWaalsContact NH2-CA 3.34Å; R210-A236 WeakPolarHBondContact CD-O 3.42Å; R210-A236 VanDerWaalsContact CZ-N 3.34Å; R210-A236 PolarHBondContact NH1-O 2.77Å
211I91.2Very high88.1Confident7 Ų757.8 Ų57.84%0.03629%0.285CS..  trans-126.3122.3175.352.5156.4000112.3I213 A236 C238 P242 Y248 K253 F380I211-I213 PolarHBondContact O-N 2.88Å; I211-A236 HydrophobicContact CD1-CB 4.2Å; I211-A236 HydrophobicContact CG1-CB 3.86Å; I211-A236 PolarHBondContact N-O 2.64Å; I211-C238 HydrophobicContact CD1-CB 3.78Å; I211-C238 HydrophobicContact CG1-CB 4.13Å; I211-C238 HydrophobicContact CG2-CB 4Å; I211-P242 HydrophobicContact CG2-CG 3.99Å; I211-Y248 HydrophobicContact CD1-CE2 4.46Å; I211-Y248 WeakPolarHBondContact CD1-OH 3.41Å; I211-Y248 HydrophobicContact CG2-CE2 4.2Å; I211-K253 HydrophobicContact CD1-CB 4.33Å; I211-K253 HydrophobicContact CD1-CD 4.28Å; I211-K253 HydrophobicContact CD1-CG 3.92Å; I211-F380 HydrophobicContact CD1-CE2 4.01Å; I211-F380 HydrophobicContact CD1-CZ 3.78Å
212F87.1Confident87.8Confident107 Ų10757.9 Ų57.947%0.46929%0.287SS..  trans-66.8137.3-175.7-58.9-51.8000112.5R210 E217 E219R210-F212 HydrophobicContact CG-CE1 4.47Å; F212-E217 WeakPolarHBondContact CA-OE2 3.17Å; F212-E217 HydrophobicContact CB-CB 4.27Å; F212-E217 HydrophobicContact CD1-CB 4.23Å; F212-E217 WeakPolarHBondContact CD1-OE1 3.36Å; F212-E217 HydrophobicContact CG-CB 4.49Å; F212-E219 HydrophobicContact CE1-CB 4.29Å; F212-E219 HydrophobicContact CE1-CG 4.25Å; F212-E219 HydrophobicContact CZ-CB 4.35Å; F212-E219 HydrophobicContact CZ-CG 4.18Å
213I82.4Confident87.5Confident8 Ų858.7 Ų58.74%0.04129%0.291CS..SBendtrans-72.5-36.7-179.6-72.5174.5000110.5I211 E217 F223 L234 A236 F380 I385I211-I213 PolarHBondContact O-N 2.88Å; I213-E217 PolarHBondContact N-OE2 2.8Å; I213-F223 HydrophobicContact CB-CB 3.99Å; I213-F223 HydrophobicContact CB-CG 4.35Å; I213-F223 HydrophobicContact CD1-CB 4.08Å; I213-F223 HydrophobicContact CG2-CB 4.02Å; I213-F223 HydrophobicContact CG2-CD1 3.74Å; I213-F223 HydrophobicContact CG2-CE1 4.39Å; I213-F223 HydrophobicContact CG2-CG 3.87Å; I213-L234 HydrophobicContact CD1-CB 3.28Å; I213-L234 HydrophobicContact CD1-CG 4.49Å; I213-A236 HydrophobicContact CD1-CB 4.41Å; I213-A236 HydrophobicContact CG1-CB 4.08Å; I213-F380 HydrophobicContact CB-CD2 4.11Å; I213-F380 HydrophobicContact CB-CG 4.49Å; I213-F380 HydrophobicContact CG1-CD2 3.94Å; I213-F380 HydrophobicContact CG1-CE2 4.11Å; I213-F380 HydrophobicContact CG1-CG 4.23Å; I213-F380 HydrophobicContact CG2-CB 3.83Å; I213-F380 HydrophobicContact CG2-CD2 4.22Å; I213-F380 HydrophobicContact CG2-CG 4.17Å; I213-I385 HydrophobicContact CG2-CD1 4.37Å
214N78.4Confident87.2Confident21 Ų2157.2 Ų57.211%0.11229%0.287CS..SBendtrans-144.1168.9173.373.4-16000111.3Q216 E217 F223 E382N214-Q216 PolarHBondContact O-N 3.23Å; N214-E217 WeakPolarHBondContact O-CB 3.32Å; N214-E217 PolarHBondContact O-N 2.82Å; N214-E217 VanDerWaalsContact OD1-CA 3.29Å; N214-E217 WeakPolarHBondContact OD1-CA 3.4Å; N214-E217 VanDerWaalsContact OD1-CB 3.26Å; N214-E217 WeakPolarHBondContact OD1-CB 3.36Å; N214-E217 PolarHBondContact OD1-N 3.4Å; N214-F223 WeakPolarHBondContact ND2-CD2 3.05Å; N214-F223 WeakPolarHBondContact ND2-CE2 3.38Å; N214-F223 WeakPolarHBondContact OD1-CD2 3.5Å; N214-E382 WeakPolarHBondContact CB-OE2 3.25Å; N214-E382 PolarHBondContact ND2-OE2 3.12Å
215I74.3Confident86.7Confident134 Ų13454.6 Ų54.669%0.68727%0.271SS*.THydrogen-bonded Turntrans-70.9-16.5179.661.6171.4000113.6
216Q73.3Confident86.2Confident158 Ų15861.7 Ų61.774%0.73830%0.302SS*.THydrogen-bonded Turntrans-97.25.8-179-55.5-176.60.600112.4N214 D218N214-Q216 PolarHBondContact O-N 3.23Å; Q216-D218 PolarHBondContact O-N 3.46Å
217E82.8Confident85.6Confident22 Ų2263.3 Ų63.310%0.10331%0.309CS..  trans-64.6133.5-176.3-154.2-16210600110.8R210 F212 I213 N214 G222 F223R210-E217 IonicContact CZ-OE1 3.59Å; R210-E217 IonicContact CZ-OE2 3.08Å; R210-E217 IonicContact NE-OE1 2.74Å; R210-E217 IonicContact NH1-OE2 3.34Å; R210-E217 IonicContact NH2-OE1 3.23Å; R210-E217 PolarHBondContact NH2-OE1 2.91Å; R210-E217 IonicContact NH2-OE2 3.6Å; R210-E217 PolarHBondContact NH2-OE2 2.93Å; F212-E217 WeakPolarHBondContact CA-OE2 3.17Å; F212-E217 HydrophobicContact CB-CB 4.27Å; F212-E217 HydrophobicContact CD1-CB 4.23Å; F212-E217 WeakPolarHBondContact CD1-OE1 3.36Å; F212-E217 HydrophobicContact CG-CB 4.49Å; I213-E217 PolarHBondContact N-OE2 2.8Å; N214-E217 WeakPolarHBondContact O-CB 3.32Å; N214-E217 PolarHBondContact O-N 2.82Å; N214-E217 VanDerWaalsContact OD1-CA 3.29Å; N214-E217 WeakPolarHBondContact OD1-CA 3.4Å; N214-E217 VanDerWaalsContact OD1-CB 3.26Å; N214-E217 WeakPolarHBondContact OD1-CB 3.36Å; N214-E217 PolarHBondContact OD1-N 3.4Å; E217-G222 WeakPolarHBondContact OE1-CA 3.04Å; E217-F223 HydrophobicContact CG-CB 3.95Å
218D85.8Confident85.2Confident68 Ų6870.5 Ų70.536%0.36434%0.335SS..BIsolated β-bridgetrans-79.9121.3169.5-179.8-61.7000108.6Q216 S220 K221 G222Q216-D218 PolarHBondContact O-N 3.46Å; D218-S220 PolarHBondContact O-N 2.89Å; D218-S220 VanDerWaalsContact O-N 3.1Å; D218-S220 WeakPolarHBondContact OD1-CA 3.26Å; D218-S220 WeakPolarHBondContact OD1-CB 3.36Å; D218-S220 PolarHBondContact OD1-N 2.87Å; D218-S220 PolarHBondContact OD1-OG 3.19Å; D218-K221 HydrophobicContact CB-CB 3.99Å; D218-K221 HydrophobicContact CB-CG 4.48Å; D218-K221 PolarHBondContact O-N 2.74Å; D218-K221 VanDerWaalsContact O-N 3.17Å; D218-K221 PolarHBondContact OD1-N 2.84Å; D218-G222 WeakPolarHBondContact O-CA 3.4Å; D218-G222 PolarHBondContact O-N 3.29Å
219E81Confident84.8Confident154 Ų15476.3 Ų76.372%0.7237%0.367SS*.THydrogen-bonded Turntrans-53.9-35-176.7-175.5175.3-16800113.1F212F212-E219 HydrophobicContact CE1-CB 4.29Å; F212-E219 HydrophobicContact CE1-CG 4.25Å; F212-E219 HydrophobicContact CZ-CB 4.35Å; F212-E219 HydrophobicContact CZ-CG 4.18Å
220S80.7Confident84.5Confident78 Ų7872 Ų7255%0.54535%0.348SS..THydrogen-bonded Turntrans-85.6-38.5-179.570.90000112.7D218 K235D218-S220 PolarHBondContact O-N 2.89Å; D218-S220 VanDerWaalsContact O-N 3.1Å; D218-S220 WeakPolarHBondContact OD1-CA 3.26Å; D218-S220 WeakPolarHBondContact OD1-CB 3.36Å; D218-S220 PolarHBondContact OD1-N 2.87Å; D218-S220 PolarHBondContact OD1-OG 3.19Å; S220-K235 PolarHBondContact O-NZ 3.24Å
221K82.6Confident84.4Confident119 Ų11969.3 Ų69.352%0.51734%0.337SS..THydrogen-bonded Turntrans-97.4-4-172.5-58.9177-175.7166.90114.1D218 I224 M233D218-K221 HydrophobicContact CB-CB 3.99Å; D218-K221 HydrophobicContact CB-CG 4.48Å; D218-K221 PolarHBondContact O-N 2.74Å; D218-K221 VanDerWaalsContact O-N 3.17Å; D218-K221 PolarHBondContact OD1-N 2.84Å; K221-I224 HydrophobicContact CB-CD1 4.17Å; K221-M233 WeakPolarHBondContact O-CG 3.22Å
222G89.8Confident84.4Confident4 Ų469.6 Ų69.64%0.04134%0.339CS..BIsolated β-bridgetrans64.6-166.8-174.300000113.2E217 D218 L234E217-G222 WeakPolarHBondContact OE1-CA 3.04Å; D218-G222 WeakPolarHBondContact O-CA 3.4Å; D218-G222 PolarHBondContact O-N 3.29Å; G222-L234 WeakPolarHBondContact CA-O 3.41Å
223F90.2Very high84.6Confident17 Ų1765.9 Ų65.98%0.07532%0.323CS..EExtended strand (participates in β ladder)trans-87.5118.7175.2-178.3-116.5000109.5I213 N214 E217 V225 M233 L234 E382 I385I213-F223 HydrophobicContact CB-CB 3.99Å; I213-F223 HydrophobicContact CB-CG 4.35Å; I213-F223 HydrophobicContact CD1-CB 4.08Å; I213-F223 HydrophobicContact CG2-CB 4.02Å; I213-F223 HydrophobicContact CG2-CD1 3.74Å; I213-F223 HydrophobicContact CG2-CE1 4.39Å; I213-F223 HydrophobicContact CG2-CG 3.87Å; N214-F223 WeakPolarHBondContact ND2-CD2 3.05Å; N214-F223 WeakPolarHBondContact ND2-CE2 3.38Å; N214-F223 WeakPolarHBondContact OD1-CD2 3.5Å; E217-F223 HydrophobicContact CG-CB 3.95Å; F223-V225 HydrophobicContact CD1-CG2 3.87Å; F223-V225 HydrophobicContact CE1-CG2 3.34Å; F223-V225 HydrophobicContact CZ-CG2 4.01Å; F223-M233 CarbonylContact O-C 3.58Å; F223-M233 WeakPolarHBondContact O-CA 3.42Å; F223-L234 HydrophobicContact CB-CB 4.46Å; F223-L234 HydrophobicContact CD1-CD1 4.02Å; F223-L234 PolarHBondContact N-O 2.88Å; F223-L234 PolarHBondContact O-N 3.43Å; F223-E382 HydrophobicContact CE1-CB 4.17Å; F223-E382 HydrophobicContact CE2-CB 4.16Å; F223-E382 HydrophobicContact CZ-CB 3.59Å; F223-I385 HydrophobicContact CE1-CD1 4.44Å
224I88.7Confident85.2Confident71 Ų7166 Ų6636%0.36432%0.324SS..EExtended strand (participates in β ladder)trans-102126.8-177.5-64.1175.7000110.2K221 K226 M233 T260K221-I224 HydrophobicContact CB-CD1 4.17Å; I224-K226 HydrophobicContact CG2-CD 4.37Å; I224-K226 HydrophobicContact CG2-CG 3.88Å; I224-M233 HydrophobicContact CG1-CG 4.47Å; I224-T260 HydrophobicContact CG2-CG2 4.12Å
225V86.4Confident86Confident1 Ų165.1 Ų65.11%0.00632%0.319CS..EExtended strand (participates in β ladder)trans-112.4130.4172.3172.10000108.5F223 G231 M232 L234 I385 N386 W389F223-V225 HydrophobicContact CD1-CG2 3.87Å; F223-V225 HydrophobicContact CE1-CG2 3.34Å; F223-V225 HydrophobicContact CZ-CG2 4.01Å; V225-G231 CarbonylContact O-C 3.5Å; V225-G231 WeakPolarHBondContact O-CA 3.5Å; V225-M232 HydrophobicContact CB-CE 3.95Å; V225-M232 HydrophobicContact CB-CG 3.96Å; V225-M232 HydrophobicContact CG1-CE 3.89Å; V225-M232 HydrophobicContact CG1-CG 4.45Å; V225-M232 HydrophobicContact CG2-CE 4.17Å; V225-M232 PolarHBondContact N-O 3.32Å; V225-M232 PolarHBondContact O-N 3.1Å; V225-L234 HydrophobicContact CG2-CD1 3.96Å; V225-I385 HydrophobicContact CG2-CG2 3.87Å; V225-N386 WeakPolarHBondContact CG1-OD1 3.33Å; V225-N386 WeakPolarHBondContact CG2-OD1 3.46Å; V225-W389 HydrophobicContact CG1-CB 3.94Å; V225-W389 HydrophobicContact CG1-CG 3.89Å
226K85.8Confident87Confident150 Ų15058.7 Ų58.765%0.65229%0.286SS*.EExtended strand (participates in β ladder)trans-131.6140.7178.3-66.9-171.4177.8-169.50111I224 T230I224-K226 HydrophobicContact CG2-CD 4.37Å; I224-K226 HydrophobicContact CG2-CG 3.88Å; K226-T230 WeakPolarHBondContact CA-O 3.35Å
227F82.6Confident88Confident33 Ų3351.2 Ų51.215%0.14525%0.251CS..EExtended strand (participates in β ladder)trans-139.3118.6169.9179.4-107.9000109.8N229 T230 E390 E393 I394F227-N229 PolarHBondContact O-N 2.83Å; F227-T230 PolarHBondContact N-O 2.79Å; F227-T230 PolarHBondContact O-N 2.94Å; F227-T230 PolarHBondContact O-OG1 3.19Å; F227-E390 HydrophobicContact CD2-CB 4Å; F227-E390 HydrophobicContact CD2-CG 3.93Å; F227-E390 HydrophobicContact CE2-CB 4.07Å; F227-E390 HydrophobicContact CE2-CG 3.47Å; F227-E390 VanDerWaalsContact CE2-CG 3.47Å; F227-E390 WeakPolarHBondContact CE2-OE1 3.06Å; F227-E390 HydrophobicContact CG-CB 4.43Å; F227-E390 HydrophobicContact CZ-CG 3.79Å; F227-E393 HydrophobicContact CD1-CB 3.8Å; F227-E393 HydrophobicContact CD1-CG 4.26Å; F227-E393 HydrophobicContact CE1-CB 4.07Å; F227-I394 HydrophobicContact CE1-CG1 4.39Å; F227-I394 HydrophobicContact CZ-CD1 4.37Å; F227-I394 HydrophobicContact CZ-CG1 4.24Å
228K85.5Confident88.5Confident167 Ų16750.2 Ų50.273%0.72625%0.246SC*.THydrogen-bonded Turntrans50-113.4-173.5-59.8175.4-179.5170.20111
229N86.2Confident88.8Confident123 Ų12347.9 Ų47.966%0.65823%0.233SC*.THydrogen-bonded Turntrans-101.84.9-178.9-59.2-17.1000113F227 E264F227-N229 PolarHBondContact O-N 2.83Å; N229-E264 HydrophobicContact CB-CB 4.35Å; N229-E264 HydrophobicContact CB-CG 3.73Å; N229-E264 PolarHBondContact O-N 3.42Å
230T87.8Confident89.2Confident14 Ų1445 Ų459%0.08622%0.216CC..EExtended strand (participates in β ladder)trans-107.3150.9175.363.40000111.3K226 F227 S263 E264 W389 E393K226-T230 WeakPolarHBondContact CA-O 3.35Å; F227-T230 PolarHBondContact N-O 2.79Å; F227-T230 PolarHBondContact O-N 2.94Å; F227-T230 PolarHBondContact O-OG1 3.19Å; T230-S263 VanDerWaalsContact CA-OG 3.3Å; T230-S263 WeakPolarHBondContact CA-OG 3.02Å; T230-E264 HydrophobicContact CG2-CB 3.89Å; T230-W389 PolarHBondContact OG1-NE1 2.74Å; T230-E393 WeakPolarHBondContact CB-OE2 3.34Å; T230-E393 WeakPolarHBondContact CG2-OE2 3.27Å; T230-E393 PolarHBondContact OG1-OE2 2.74Å
231G89Confident89Confident0 Ų045.9 Ų45.90%022%0.215CC..EExtended strand (participates in β ladder)trans-159.5154.7176.600000113V225 P259 T260 S263V225-G231 CarbonylContact O-C 3.5Å; V225-G231 WeakPolarHBondContact O-CA 3.5Å; G231-P259 WeakPolarHBondContact O-CA 3.34Å; G231-T260 WeakPolarHBondContact CA-OG1 3.43Å; G231-T260 PolarHBondContact O-N 2.99Å; G231-T260 PolarHBondContact O-OG1 2.9Å; G231-S263 PolarHBondContact N-OG 3.09Å
232M91.5Very high88.5Confident13 Ų1343.6 Ų43.66%0.06421%0.212CC..EExtended strand (participates in β ladder)trans-133.9153.8173.762.9173.217500111.1V225 L234 V257 E258 V268 I385 W389V225-M232 HydrophobicContact CB-CE 3.95Å; V225-M232 HydrophobicContact CB-CG 3.96Å; V225-M232 HydrophobicContact CG1-CE 3.89Å; V225-M232 HydrophobicContact CG1-CG 4.45Å; V225-M232 HydrophobicContact CG2-CE 4.17Å; V225-M232 PolarHBondContact N-O 3.32Å; V225-M232 PolarHBondContact O-N 3.1Å; M232-L234 HydrophobicContact CE-CD1 4.05Å; M232-L234 HydrophobicContact CG-CD1 3.99Å; M232-L234 HydrophobicContact SD-CD1 4.09Å; M232-V257 HydrophobicContact CB-CG1 4.18Å; M232-V257 HydrophobicContact SD-CG1 3.79Å; M232-E258 CarbonylContact C-O 3.53Å; M232-E258 VanDerWaalsContact CA-O 3.22Å; M232-E258 WeakPolarHBondContact CA-O 3.44Å; M232-E258 WeakPolarHBondContact CB-O 3.43Å; M232-V268 HydrophobicContact CB-CG2 4.14Å; M232-V268 HydrophobicContact SD-CG2 4.37Å; M232-I385 HydrophobicContact CE-CG2 3.4Å; M232-I385 VanDerWaalsContact CE-CG2 3.4Å; M232-W389 HydrophobicContact CB-CH2 4.21Å; M232-W389 HydrophobicContact CB-CZ2 4.46Å; M232-W389 HydrophobicContact CB-CZ3 4.47Å; M232-W389 HydrophobicContact CE-CB 4.01Å; M232-W389 HydrophobicContact CE-CD2 3.91Å; M232-W389 HydrophobicContact CE-CE3 3.62Å; M232-W389 HydrophobicContact CE-CG 4.1Å; M232-W389 HydrophobicContact CE-CZ3 4.33Å; M232-W389 HydrophobicContact CG-CD2 4.34Å; M232-W389 HydrophobicContact CG-CE3 4.23Å; M232-W389 HydrophobicContact CG-CH2 4.33Å; M232-W389 HydrophobicContact CG-CZ2 4.46Å; M232-W389 HydrophobicContact CG-CZ3 4.23Å; M232-W389 HydrophobicContact SD-CD2 4.14Å; M232-W389 HydrophobicContact SD-CE3 3.53Å; M232-W389 VanDerWaalsContact SD-CE3 3.53Å; M232-W389 HydrophobicContact SD-CH2 4.27Å; M232-W389 HydrophobicContact SD-CZ3 3.6Å
233M92.5Very high87.6Confident28 Ų2849.2 Ų49.214%0.13825%0.245CC..EExtended strand (participates in β ladder)trans-112.6138.6173.1-173-163.4-34.800108.6K221 F223 I224 V257 E258K221-M233 WeakPolarHBondContact O-CG 3.22Å; F223-M233 CarbonylContact O-C 3.58Å; F223-M233 WeakPolarHBondContact O-CA 3.42Å; I224-M233 HydrophobicContact CG1-CG 4.47Å; M233-V257 WeakPolarHBondContact O-CA 3.35Å; M233-E258 HydrophobicContact CB-CG 3.86Å; M233-E258 HydrophobicContact CE-CG 3.97Å; M233-E258 WeakPolarHBondContact CE-OE1 3.37Å; M233-E258 PolarHBondContact N-O 3.46Å; M233-E258 PolarHBondContact O-N 2.81Å; M233-E258 HydrophobicContact SD-CG 4.38Å
234L94Very high86.5Confident10 Ų1050.5 Ų50.55%0.05226%0.257CS..EExtended strand (participates in β ladder)trans-121.7137.3176-58.394.4000110.9I213 G222 F223 V225 M232 V255 F256 V257 I385I213-L234 HydrophobicContact CD1-CB 3.28Å; I213-L234 HydrophobicContact CD1-CG 4.49Å; G222-L234 WeakPolarHBondContact CA-O 3.41Å; F223-L234 HydrophobicContact CB-CB 4.46Å; F223-L234 HydrophobicContact CD1-CD1 4.02Å; F223-L234 PolarHBondContact N-O 2.88Å; F223-L234 PolarHBondContact O-N 3.43Å; V225-L234 HydrophobicContact CG2-CD1 3.96Å; M232-L234 HydrophobicContact CE-CD1 4.05Å; M232-L234 HydrophobicContact CG-CD1 3.99Å; M232-L234 HydrophobicContact SD-CD1 4.09Å; L234-V255 HydrophobicContact CB-CG1 4.47Å; L234-V255 HydrophobicContact CD2-CG1 4Å; L234-F256 CarbonylContact C-O 3.56Å; L234-F256 VanDerWaalsContact CA-O 3.27Å; L234-F256 WeakPolarHBondContact CA-O 3.24Å; L234-V257 HydrophobicContact CD2-CG2 3.95Å; L234-V257 HydrophobicContact CG-CG1 4.42Å; L234-V257 HydrophobicContact CG-CG2 4.2Å; L234-I385 HydrophobicContact CD1-CG2 4.38Å; L234-I385 HydrophobicContact CD2-CD1 4.43Å; L234-I385 HydrophobicContact CD2-CG2 4.4Å
235K95.1Very high85.1Confident3 Ų351.8 Ų51.81%0.01327%0.272CS..EExtended strand (participates in β ladder)trans-131.5147.7167-68.1-179.7178.1162.70109.3D196 V199 R210 S220 V255 F256D196-K235 VanDerWaalsContact CG-NZ 3.28Å; D196-K235 IonicContact OD1-NZ 3.08Å; D196-K235 PolarHBondContact OD1-NZ 2.87Å; D196-K235 IonicContact OD2-NZ 3.89Å; D196-K235 PolarHBondContact OD2-NZ 3.41Å; V199-K235 HydrophobicContact CG2-CB 4.06Å; V199-K235 HydrophobicContact CG2-CD 4.32Å; R210-K235 VanDerWaalsContact NH2-CA 3.34Å; S220-K235 PolarHBondContact O-NZ 3.24Å; K235-V255 CarbonylContact O-C 3.53Å; K235-V255 WeakPolarHBondContact O-CA 3.3Å; K235-F256 PolarHBondContact N-O 2.76Å; K235-F256 PolarHBondContact O-N 2.85Å
236A95Very high84.2Confident0 Ų055.3 Ų55.30%030%0.296CS..EExtended strand (participates in β ladder)trans-130.9146.6-179.100000113R210 I211 I213 F254 V255 F380R210-A236 WeakPolarHBondContact CD-O 3.42Å; R210-A236 VanDerWaalsContact CZ-N 3.34Å; R210-A236 PolarHBondContact NH1-O 2.77Å; I211-A236 HydrophobicContact CD1-CB 4.2Å; I211-A236 HydrophobicContact CG1-CB 3.86Å; I211-A236 PolarHBondContact N-O 2.64Å; I213-A236 HydrophobicContact CD1-CB 4.41Å; I213-A236 HydrophobicContact CG1-CB 4.08Å; A236-F254 CarbonylContact C-O 3.38Å; A236-F254 WeakPolarHBondContact CA-O 3.09Å; A236-V255 HydrophobicContact CB-CG2 4.3Å; A236-F380 HydrophobicContact CB-CE1 4.25Å; A236-F380 HydrophobicContact CB-CE2 4.19Å; A236-F380 HydrophobicContact CB-CZ 3.63Å
237V95.1Very high83.7Confident0 Ų051.9 Ų51.90%029%0.285CS..EExtended strand (participates in β ladder)trans-129.9150.1174.6-62.60000111.1V199 M208 E209 F254 F256V199-V237 HydrophobicContact CB-CG1 4.37Å; V199-V237 HydrophobicContact CG1-CG1 4.07Å; V199-V237 HydrophobicContact CG2-CG1 4.03Å; M208-V237 HydrophobicContact CB-CB 4.09Å; M208-V237 HydrophobicContact CB-CG2 4.22Å; M208-V237 HydrophobicContact CE-CB 4.43Å; M208-V237 HydrophobicContact CE-CG2 3.79Å; M208-V237 HydrophobicContact SD-CG2 4.09Å; E209-V237 CarbonylContact O-C 3.59Å; E209-V237 WeakPolarHBondContact O-CA 3.42Å; V237-F254 HydrophobicContact CG2-CB 3.76Å; V237-F254 PolarHBondContact N-O 2.86Å; V237-F254 PolarHBondContact O-N 3.37Å; V237-F256 HydrophobicContact CB-CE2 4.38Å; V237-F256 HydrophobicContact CG1-CE2 3.89Å; V237-F256 HydrophobicContact CG2-CE2 3.6Å; V237-F256 HydrophobicContact CG2-CZ 3.65Å
238C93.9Very high83.6Confident1 Ų151.1 Ų51.11%0.00728%0.282CS..EExtended strand (participates in β ladder)trans-141.7146.2177.4-170.40000110.8E209 I211 R240 Y248 K253E209-C238 PolarHBondContact N-O 2.82Å; E209-C238 PolarHBondContact O-N 2.52Å; I211-C238 HydrophobicContact CD1-CB 3.78Å; I211-C238 HydrophobicContact CG1-CB 4.13Å; I211-C238 HydrophobicContact CG2-CB 4Å; C238-R240 PolarHBondContact SG-N 3.07Å; C238-R240 VanDerWaalsContact SG-N 3.41Å; C238-Y248 HydrophobicContact CB-CE2 4.09Å; C238-K253 HydrophobicContact CB-CG 4.49Å
239H92.1Very high83.3Confident20 Ų2046.4 Ų46.49%0.09326%0.259CS..SBendtrans-85.9-11176.572-81.3000113.2S2 L4 K5 M208S2-H239 WeakPolarHBondContact OG-CB 3.39Å; L4-H239 HydrophobicContact CB-CB 3.97Å; L4-H239 HydrophobicContact CD2-CB 3.96Å; L4-H239 HydrophobicContact CG-CB 4.06Å; L4-H239 PolarHBondContact O-CD2 3.14Å; L4-H239 VanDerWaalsContact O-CD2 3.26Å; K5-H239 PolarHBondContact O-NE2 3.14Å; M208-H239 HydrophobicContact CG-CB 4.11Å
240R87.8Confident83.2Confident93 Ų9343.6 Ų43.635%0.35124%0.244SC..SBendtrans-104.8144.3175.3-61.7-58.6176.6146.7-5.4110.4K5 C238 D247 Y248 A251K5-R240 PolarHBondContact O-NH2 3.33Å; C238-R240 PolarHBondContact SG-N 3.07Å; C238-R240 VanDerWaalsContact SG-N 3.41Å; R240-D247 IonicContact NH1-OD2 2.64Å; R240-Y248 HydrophobicContact CB-CD2 4.18Å; R240-Y248 WeakPolarHBondContact O-CD2 3.31Å; R240-A251 HydrophobicContact CB-CB 4.03Å; R240-A251 HydrophobicContact CG-CB 3.57Å
241N76.4Confident83.3Confident97 Ų9743.1 Ų43.152%0.51924%0.241SC..  trans-74.5130.1175.7-169.5-33.3000109.9T243 S244N241-T243 PolarHBondContact O-N 3.31Å; N241-T243 WeakPolarHBondContact OD1-CG2 3.16Å; N241-T243 PolarHBondContact OD1-N 3.49Å; N241-T243 PolarHBondContact OD1-OG1 3.5Å; N241-S244 PolarHBondContact O-N 2.75Å
242P73.8Confident83.5Confident70 Ų7043.2 Ų43.246%0.45524%0.242SC..THydrogen-bonded Turntrans-49.8-24.9173.7-27.833.1000115.3I211 S244 Y248I211-P242 HydrophobicContact CG2-CG 3.99Å; P242-S244 VanDerWaalsContact C-N 3.29Å; P242-S244 PolarHBondContact O-N 2.96Å; P242-Y248 HydrophobicContact CB-CD1 4.4Å; P242-Y248 HydrophobicContact CB-CD2 4.38Å; P242-Y248 HydrophobicContact CB-CE1 4.14Å; P242-Y248 HydrophobicContact CB-CE2 4.12Å; P242-Y248 HydrophobicContact CG-CD2 4.24Å; P242-Y248 HydrophobicContact CG-CE1 4.45Å; P242-Y248 HydrophobicContact CG-CE2 3.68Å
243T69.9Low83.7Confident122 Ų12242.6 Ų42.675%0.74824%0.239SC*.THydrogen-bonded Turntrans-73.2-14.4178.661.60000114.4N241N241-T243 PolarHBondContact O-N 3.31Å; N241-T243 WeakPolarHBondContact OD1-CG2 3.16Å; N241-T243 PolarHBondContact OD1-N 3.49Å; N241-T243 PolarHBondContact OD1-OG1 3.5Å
244S68Low83.9Confident45 Ų4541.3 Ų41.332%0.31523%0.233SC..SBendtrans-93.893.4173.3-176.10000110.2N241 P242 S246 Y248N241-S244 PolarHBondContact O-N 2.75Å; P242-S244 VanDerWaalsContact C-N 3.29Å; P242-S244 PolarHBondContact O-N 2.96Å; S244-S246 PolarHBondContact O-N 3.36Å; S244-Y248 WeakPolarHBondContact O-CB 3.33Å; S244-Y248 PolarHBondContact O-N 3.12Å
245S59.6Low84Confident98 Ų9841.2 Ų41.269%0.68523%0.233SC*.Hα-helixtrans-62.5-39.3-164.358.80000115.3R249S245-R249 WeakPolarHBondContact O-CB 3.39Å; S245-R249 PolarHBondContact O-N 2.99Å
246S66.3Low84.1Confident74 Ų7441 Ų4152%0.51723%0.232SC..Hα-helixtrans-76.3-47.3-179.956.70000112.5S244S244-S246 PolarHBondContact O-N 3.36Å
247D76Confident84.1Confident78 Ų7841.3 Ų41.342%0.41723%0.234SC..Hα-helixtrans-73.8-34.4-173.6-65.22.4000110.7R240 A251R240-D247 IonicContact NH1-OD2 2.64Å; D247-A251 VanDerWaalsContact O-CB 3.29Å; D247-A251 WeakPolarHBondContact O-CB 3.24Å; D247-A251 PolarHBondContact O-N 2.79Å
248Y81.1Confident84.1Confident18 Ų1841.6 Ų41.67%0.07124%0.235CC..Hα-helixtrans-69.8-45.2178.5179.1-107.7000112.7I211 C238 R240 P242 S244 N250 A251 T378I211-Y248 HydrophobicContact CD1-CE2 4.46Å; I211-Y248 WeakPolarHBondContact CD1-OH 3.41Å; I211-Y248 HydrophobicContact CG2-CE2 4.2Å; C238-Y248 HydrophobicContact CB-CE2 4.09Å; R240-Y248 HydrophobicContact CB-CD2 4.18Å; R240-Y248 WeakPolarHBondContact O-CD2 3.31Å; P242-Y248 HydrophobicContact CB-CD1 4.4Å; P242-Y248 HydrophobicContact CB-CD2 4.38Å; P242-Y248 HydrophobicContact CB-CE1 4.14Å; P242-Y248 HydrophobicContact CB-CE2 4.12Å; P242-Y248 HydrophobicContact CG-CD2 4.24Å; P242-Y248 HydrophobicContact CG-CE1 4.45Å; P242-Y248 HydrophobicContact CG-CE2 3.68Å; S244-Y248 WeakPolarHBondContact O-CB 3.33Å; S244-Y248 PolarHBondContact O-N 3.12Å; Y248-N250 VanDerWaalsContact C-N 3.28Å; Y248-N250 PolarHBondContact O-N 2.77Å; Y248-A251 PolarHBondContact O-N 3Å; Y248-T378 HydrophobicContact CD1-CG2 4.3Å; Y248-T378 HydrophobicContact CE1-CG2 4.44Å
249R79.3Confident84.1Confident68 Ų6841.8 Ų41.826%0.25724%0.236SC..Hα-helixtrans-56.9-46.2-177.1179.6174.3173.3-121.12.3111S245 K253 R373 T378S245-R249 WeakPolarHBondContact O-CB 3.39Å; S245-R249 PolarHBondContact O-N 2.99Å; R249-K253 PolarHBondContact O-NZ 3.4Å; R249-R373 PolarHBondContact NH2-O 3.02Å; R249-T378 HydrophobicContact CB-CG2 4.31Å; R249-T378 HydrophobicContact CG-CG2 4.44Å
250N83.7Confident84.1Confident63 Ų6341.6 Ų41.634%0.33724%0.236SC..THydrogen-bonded Turntrans-89.7-1.6-175.9-56.3-23.7000113.7Y182 Y248Y182-N250 HydrophobicContact CD1-CB 4.36Å; Y182-N250 HydrophobicContact CE1-CB 3.92Å; Y182-N250 WeakPolarHBondContact CE1-OD1 3.37Å; Y182-N250 HydrophobicContact CE2-CB 4.42Å; Y182-N250 PolarHBondContact OH-OD1 2.82Å; Y248-N250 VanDerWaalsContact C-N 3.28Å; Y248-N250 PolarHBondContact O-N 2.77Å
251A90.1Very high84.1Confident4 Ų444.9 Ų44.93%0.03325%0.253CS..SBendtrans-72.1133174.500000110.8R240 D247 Y248 K253R240-A251 HydrophobicContact CB-CB 4.03Å; R240-A251 HydrophobicContact CG-CB 3.57Å; D247-A251 VanDerWaalsContact O-CB 3.29Å; D247-A251 WeakPolarHBondContact O-CB 3.24Å; D247-A251 PolarHBondContact O-N 2.79Å; Y248-A251 PolarHBondContact O-N 3Å; A251-K253 PolarHBondContact O-N 2.98Å; A251-K253 PolarHBondContact O-NZ 3.41Å
252C93.3Very high84.5Confident3 Ų348 Ų482%0.0227%0.27CS..PPolyproline II helixtrans-62.8120.2172-175.40000110.2V7 T183 D184V7-C252 HydrophobicContact CB-CB 4.47Å; V7-C252 HydrophobicContact CG2-CB 3.82Å; T183-C252 WeakPolarHBondContact O-CB 3.29Å; D184-C252 WeakPolarHBondContact O-CA 3.47Å
253K95Very high85Confident0 Ų046 Ų460%026%0.257CS..EExtended strand (participates in β ladder)trans-92.7147.5177.9-60.1148.7-161.476.60109.5D184 H185 I186 I211 C238 R249 A251 F380D184-K253 PolarHBondContact O-N 2.95Å; D184-K253 VanDerWaalsContact O-N 3.1Å; H185-K253 CarbonylContact C-O 3.52Å; H185-K253 WeakPolarHBondContact CA-O 3.26Å; H185-K253 HydrophobicContact CB-CB 4.02Å; H185-K253 VanDerWaalsContact CB-O 3.24Å; H185-K253 WeakPolarHBondContact CB-O 3.11Å; I186-K253 PolarHBondContact N-O 3.33Å; I211-K253 HydrophobicContact CD1-CB 4.33Å; I211-K253 HydrophobicContact CD1-CD 4.28Å; I211-K253 HydrophobicContact CD1-CG 3.92Å; C238-K253 HydrophobicContact CB-CG 4.49Å; R249-K253 PolarHBondContact O-NZ 3.4Å; A251-K253 PolarHBondContact O-N 2.98Å; A251-K253 PolarHBondContact O-NZ 3.41Å; K253-F380 HydrophobicContact CB-CE1 4.37Å; K253-F380 HydrophobicContact CB-CZ 4.24Å; K253-F380 HydrophobicContact CD-CE1 4.25Å; K253-F380 HydrophobicContact CD-CZ 3.94Å; K253-F380 HydrophobicContact CG-CZ 4.46Å
254F97Very high85.8Confident0 Ų045.5 Ų45.50%025%0.247CC..EExtended strand (participates in β ladder)trans-107.6123.8175.8-7942.9000107.4V7 I87 L89 I186 I188 Y202 M208 A236 V237 F256V7-F254 HydrophobicContact CG2-CE1 3.76Å; V7-F254 HydrophobicContact CG2-CZ 4.08Å; I87-F254 HydrophobicContact CD1-CE2 4.12Å; I87-F254 HydrophobicContact CD1-CZ 4.4Å; I87-F254 HydrophobicContact CG2-CZ 4.03Å; L89-F254 HydrophobicContact CD2-CZ 3.95Å; I186-F254 HydrophobicContact CD1-CE1 4.43Å; I186-F254 HydrophobicContact CD1-CZ 4.44Å; I186-F254 WeakPolarHBondContact O-CA 3.16Å; I188-F254 HydrophobicContact CD1-CD2 3.95Å; I188-F254 HydrophobicContact CD1-CE2 4.4Å; Y202-F254 HydrophobicContact CD1-CD2 4.18Å; Y202-F254 HydrophobicContact CD1-CE2 4.36Å; Y202-F254 AromaticContact CE1-CD2 3.62Å; Y202-F254 HydrophobicContact CE1-CD2 3.62Å; Y202-F254 AromaticContact CE1-CE2 3.55Å; Y202-F254 HydrophobicContact CE1-CE2 3.55Å; Y202-F254 AromaticContact CZ-CD2 3.8Å; Y202-F254 AromaticContact CZ-CE2 3.93Å; M208-F254 HydrophobicContact CE-CB 4.26Å; M208-F254 HydrophobicContact CE-CD1 3.91Å; M208-F254 HydrophobicContact CE-CE1 4.48Å; M208-F254 HydrophobicContact CE-CG 4.06Å; A236-F254 CarbonylContact C-O 3.38Å; A236-F254 WeakPolarHBondContact CA-O 3.09Å; V237-F254 HydrophobicContact CG2-CB 3.76Å; V237-F254 PolarHBondContact N-O 2.86Å; V237-F254 PolarHBondContact O-N 3.37Å; F254-F256 HydrophobicContact CB-CE1 4.38Å; F254-F256 HydrophobicContact CB-CZ 4.2Å
255V96.2Very high86.6Confident8 Ų847.9 Ų47.95%0.04826%0.261CS..EExtended strand (participates in β ladder)trans-113.9116.3-177.4-174.30000108.6H185 I186 A187 I188 L234 K235 A236 V257 F380H185-V255 HydrophobicContact CB-CG2 4.43Å; I186-V255 PolarHBondContact O-N 2.88Å; A187-V255 CarbonylContact C-O 3.53Å; A187-V255 VanDerWaalsContact CA-O 3.22Å; A187-V255 WeakPolarHBondContact CA-O 3.42Å; A187-V255 HydrophobicContact CB-CB 4.35Å; I188-V255 PolarHBondContact N-O 2.77Å; L234-V255 HydrophobicContact CB-CG1 4.47Å; L234-V255 HydrophobicContact CD2-CG1 4Å; K235-V255 CarbonylContact O-C 3.53Å; K235-V255 WeakPolarHBondContact O-CA 3.3Å; A236-V255 HydrophobicContact CB-CG2 4.3Å; V255-V257 HydrophobicContact CG1-CG2 4.18Å; V255-F380 HydrophobicContact CG2-CD1 4.11Å; V255-F380 HydrophobicContact CG2-CE1 3.46Å; V255-F380 VanDerWaalsContact CG2-CE1 3.46Å; V255-F380 HydrophobicContact CG2-CZ 4.32Å
256F96.9Very high87.8Confident0 Ų043.3 Ų43.30%023%0.229CC..EExtended strand (participates in β ladder)trans-91.5128.3175.1-50.6-55000109.4I188 F198 V199 Y202 L234 K235 V237 F254I188-F256 HydrophobicContact CB-CD1 4.04Å; I188-F256 HydrophobicContact CB-CE1 4.46Å; I188-F256 HydrophobicContact CD1-CD1 4.42Å; I188-F256 HydrophobicContact CD1-CE1 3.98Å; I188-F256 HydrophobicContact CG2-CD1 4.31Å; I188-F256 CarbonylContact O-C 3.51Å; I188-F256 WeakPolarHBondContact O-CA 3.43Å; F198-F256 HydrophobicContact CB-CD1 3.78Å; F198-F256 HydrophobicContact CB-CD2 4.02Å; F198-F256 HydrophobicContact CB-CE1 3.89Å; F198-F256 HydrophobicContact CB-CE2 4.1Å; F198-F256 HydrophobicContact CB-CG 3.87Å; F198-F256 HydrophobicContact CB-CZ 4.06Å; F198-F256 HydrophobicContact CD2-CB 4.2Å; F198-F256 AromaticContact CD2-CD1 3.73Å; F198-F256 HydrophobicContact CD2-CD1 3.73Å; F198-F256 HydrophobicContact CD2-CE1 4.43Å; F198-F256 HydrophobicContact CD2-CG 4.06Å; F198-F256 HydrophobicContact CG-CD1 4.21Å; V199-F256 HydrophobicContact CB-CE2 4.48Å; V199-F256 HydrophobicContact CG2-CD2 3.62Å; V199-F256 HydrophobicContact CG2-CE2 3.76Å; Y202-F256 AromaticContact CD2-CE1 3.73Å; Y202-F256 HydrophobicContact CD2-CE1 3.73Å; Y202-F256 HydrophobicContact CD2-CE2 4.3Å; Y202-F256 AromaticContact CD2-CZ 3.28Å; Y202-F256 HydrophobicContact CD2-CZ 3.28Å; Y202-F256 AromaticContact CE2-CE1 3.54Å; Y202-F256 HydrophobicContact CE2-CE1 3.54Å; Y202-F256 AromaticContact CE2-CZ 3.62Å; Y202-F256 HydrophobicContact CE2-CZ 3.62Å; Y202-F256 AromaticContact CG-CZ 3.99Å; Y202-F256 HydrophobicContact CG-CZ 3.99Å; L234-F256 CarbonylContact C-O 3.56Å; L234-F256 VanDerWaalsContact CA-O 3.27Å; L234-F256 WeakPolarHBondContact CA-O 3.24Å; K235-F256 PolarHBondContact N-O 2.76Å; K235-F256 PolarHBondContact O-N 2.85Å; V237-F256 HydrophobicContact CB-CE2 4.38Å; V237-F256 HydrophobicContact CG1-CE2 3.89Å; V237-F256 HydrophobicContact CG2-CE2 3.6Å; V237-F256 HydrophobicContact CG2-CZ 3.65Å; F254-F256 HydrophobicContact CB-CE1 4.38Å; F254-F256 HydrophobicContact CB-CZ 4.2Å
257V94.9Very high88.7Confident6 Ų640.8 Ų40.84%0.03621%0.209CC..EExtended strand (participates in β ladder)trans-123129.7-178.5-171.90000108.9I188 A189 G190 M232 M233 L234 V255 V268I188-V257 PolarHBondContact O-N 2.91Å; A189-V257 CarbonylContact C-O 3.59Å; A189-V257 VanDerWaalsContact CA-O 3.26Å; A189-V257 WeakPolarHBondContact CA-O 3.43Å; G190-V257 PolarHBondContact N-O 2.89Å; M232-V257 HydrophobicContact CB-CG1 4.18Å; M232-V257 HydrophobicContact SD-CG1 3.79Å; M233-V257 WeakPolarHBondContact O-CA 3.35Å; L234-V257 HydrophobicContact CD2-CG2 3.95Å; L234-V257 HydrophobicContact CG-CG1 4.42Å; L234-V257 HydrophobicContact CG-CG2 4.2Å; V255-V257 HydrophobicContact CG1-CG2 4.18Å; V257-V268 HydrophobicContact CG1-CG2 3.64Å
258E95Very high89.3Confident5 Ų537 Ų372%0.02319%0.189CC..EExtended strand (participates in β ladder)trans-136.7153.8173.864.1176.3-119.700110.6E191 G193 D194 S195 M232 M233E191-E258 WeakPolarHBondContact O-CB 3.04Å; G193-E258 VanDerWaalsContact N-CD 3.29Å; G193-E258 PolarHBondContact N-OE1 3.27Å; G193-E258 PolarHBondContact N-OE2 3.09Å; D194-E258 PolarHBondContact N-OE2 3.08Å; D194-E258 VanDerWaalsContact N-OE2 3.13Å; S195-E258 WeakPolarHBondContact CA-OE2 3.39Å; S195-E258 WeakPolarHBondContact CB-OE2 3.23Å; S195-E258 PolarHBondContact N-OE2 3.45Å; S195-E258 PolarHBondContact OG-OE2 2.91Å; M232-E258 CarbonylContact C-O 3.53Å; M232-E258 VanDerWaalsContact CA-O 3.22Å; M232-E258 WeakPolarHBondContact CA-O 3.44Å; M232-E258 WeakPolarHBondContact CB-O 3.43Å; M233-E258 HydrophobicContact CB-CG 3.86Å; M233-E258 HydrophobicContact CE-CG 3.97Å; M233-E258 WeakPolarHBondContact CE-OE1 3.37Å; M233-E258 PolarHBondContact N-O 3.46Å; M233-E258 PolarHBondContact O-N 2.81Å; M233-E258 HydrophobicContact SD-CG 4.38Å
259P93.9Very high89.8Confident5 Ų537.6 Ų37.63%0.03220%0.195CC..EExtended strand (participates in β ladder)trans-69.9147.4173.725.6-25.1000110.7G190 I192 G231 V268 T269G190-P259 WeakPolarHBondContact O-CD 3.37Å; I192-P259 HydrophobicContact CG1-CG 3.77Å; G231-P259 WeakPolarHBondContact O-CA 3.34Å; P259-V268 HydrophobicContact CG-CG1 4.44Å; P259-T269 HydrophobicContact CB-CG2 3.89Å; P259-T269 HydrophobicContact CG-CG2 3.88Å
260T91.8Very high90.2Very high16 Ų1640.7 Ų40.710%0.09821%0.206CC..PPolyproline II helixtrans-71.4151.8173.556.10000111.1I224 G231 D262 S263I224-T260 HydrophobicContact CG2-CG2 4.12Å; G231-T260 WeakPolarHBondContact CA-OG1 3.43Å; G231-T260 PolarHBondContact O-N 2.99Å; G231-T260 PolarHBondContact O-OG1 2.9Å; T260-D262 PolarHBondContact O-N 3.32Å; T260-S263 VanDerWaalsContact O-CB 3.24Å; T260-S263 WeakPolarHBondContact O-CB 3.48Å; T260-S263 PolarHBondContact O-N 3.26Å; T260-S263 VanDerWaalsContact O-N 3.09Å
261K87.3Confident90.6Very high163 Ų16338 Ų3871%0.70919%0.191SC*.THydrogen-bonded Turntrans-51.3134.1167.8-65.7-179.1-178.8-179.60109.8I192 S263I192-K261 HydrophobicContact CG2-CG 3.77Å; K261-S263 VanDerWaalsContact C-N 3.26Å; K261-S263 PolarHBondContact O-N 3.03Å
262D85.4Confident90.7Very high162 Ų16238.7 Ų38.787%0.86619%0.194SC*.THydrogen-bonded Turntrans66.416.3-179.2-42.6-49.7000115.8T260T260-D262 PolarHBondContact O-N 3.32Å
263S85.5Confident90.5Very high27 Ų2745.2 Ų45.219%0.18923%0.225CC..PPolyproline II helixtrans-67.1134.1169.6-177.40000110.4T230 G231 T260 K261T230-S263 VanDerWaalsContact CA-OG 3.3Å; T230-S263 WeakPolarHBondContact CA-OG 3.02Å; G231-S263 PolarHBondContact N-OG 3.09Å; T260-S263 VanDerWaalsContact O-CB 3.24Å; T260-S263 WeakPolarHBondContact O-CB 3.48Å; T260-S263 PolarHBondContact O-N 3.26Å; T260-S263 VanDerWaalsContact O-N 3.09Å; K261-S263 VanDerWaalsContact C-N 3.26Å; K261-S263 PolarHBondContact O-N 3.03Å
264E86.7Confident90.1Very high113 Ų11348.1 Ų48.153%0.52824%0.242SC..PPolyproline II helixtrans-58.3161.9159.9-71.7-64.1152.700110.3N229 T230 S266N229-E264 HydrophobicContact CB-CB 4.35Å; N229-E264 HydrophobicContact CB-CG 3.73Å; N229-E264 PolarHBondContact O-N 3.42Å; T230-E264 HydrophobicContact CG2-CB 3.89Å; E264-S266 PolarHBondContact O-N 3.01Å
265P84.5Confident89.6Confident95 Ų9548.5 Ų48.562%0.61724%0.244SC*.SBendtrans-51.1117.3176.2-27.535.4000111.4T269P265-T269 WeakPolarHBondContact CA-OG1 3.38Å
266S84.9Confident89.2Confident2 Ų252.8 Ų52.81%0.01428%0.275CS..  trans-116.6173.3-175.871.40000111.9E264 V268 T269 R270 W389 E393E264-S266 PolarHBondContact O-N 3.01Å; S266-V268 PolarHBondContact O-N 2.97Å; S266-V268 VanDerWaalsContact O-N 3.16Å; S266-T269 PolarHBondContact N-OG1 2.83Å; S266-T269 PolarHBondContact O-N 2.8Å; S266-T269 PolarHBondContact O-OG1 2.87Å; S266-R270 PolarHBondContact O-N 3.06Å; S266-W389 VanDerWaalsContact CB-CH2 3.46Å; S266-W389 VanDerWaalsContact CB-CZ2 3.48Å; S266-E393 WeakPolarHBondContact CA-OE1 3.35Å
267Q83.8Confident89Confident20 Ų2053.5 Ų53.59%0.09328%0.282CS..Hα-helixtrans-52.4-36.8175.4-178.4-94.313.100113.4R270 F271 Q281 F367 W389 L392 E393Q267-R270 PolarHBondContact O-N 2.86Å; Q267-F271 PolarHBondContact O-N 3.39Å; Q267-Q281 VanDerWaalsContact NE2-NE2 3.18Å; Q267-F367 VanDerWaalsContact NE2-CE1 3.3Å; Q267-W389 HydrophobicContact CB-CE3 4.49Å; Q267-W389 HydrophobicContact CB-CH2 4.16Å; Q267-W389 HydrophobicContact CB-CZ3 3.76Å; Q267-L392 HydrophobicContact CG-CD1 4.04Å; Q267-L392 HydrophobicContact CG-CD2 4.44Å; Q267-E393 PolarHBondContact N-OE1 3.37Å
268V89.5Confident89Confident0 Ų054 Ų540%029%0.285CS..Hα-helixtrans-65.8-48.8176.2-177.90000110.4A189 M232 V257 P259 S266 R270 F271 L272 W389A189-V268 HydrophobicContact CB-CG1 4.26Å; M232-V268 HydrophobicContact CB-CG2 4.14Å; M232-V268 HydrophobicContact SD-CG2 4.37Å; V257-V268 HydrophobicContact CG1-CG2 3.64Å; P259-V268 HydrophobicContact CG-CG1 4.44Å; S266-V268 PolarHBondContact O-N 2.97Å; S266-V268 VanDerWaalsContact O-N 3.16Å; V268-R270 VanDerWaalsContact C-N 3.27Å; V268-R270 PolarHBondContact O-N 2.68Å; V268-F271 WeakPolarHBondContact O-CB 3.47Å; V268-F271 PolarHBondContact O-N 2.96Å; V268-L272 HydrophobicContact CG1-CD1 4.32Å; V268-L272 WeakPolarHBondContact O-CG 3.27Å; V268-L272 PolarHBondContact O-N 2.87Å; V268-W389 HydrophobicContact CG2-CH2 3.87Å; V268-W389 HydrophobicContact CG2-CZ3 3.85Å
269T91Very high89Confident30 Ų3054 Ų5418%0.18429%0.287CS..Hα-helixtrans-63-34.8178.764.20000112.4P259 P265 S266 L272 Q273P259-T269 HydrophobicContact CB-CG2 3.89Å; P259-T269 HydrophobicContact CG-CG2 3.88Å; P265-T269 WeakPolarHBondContact CA-OG1 3.38Å; S266-T269 PolarHBondContact N-OG1 2.83Å; S266-T269 PolarHBondContact O-N 2.8Å; S266-T269 PolarHBondContact O-OG1 2.87Å; T269-L272 PolarHBondContact O-N 2.79Å; T269-Q273 VanDerWaalsContact O-CG 3.31Å; T269-Q273 WeakPolarHBondContact O-CG 3.41Å; T269-Q273 PolarHBondContact O-N 2.87Å
270R88.3Confident89Confident132 Ų13254 Ų5450%0.49829%0.286SS..Hα-helixtrans-68.4-40.5175.4-172.2176.1-177.3165.91.1111.6S266 Q267 V268 Q273 V274 Q396S266-R270 PolarHBondContact O-N 3.06Å; Q267-R270 PolarHBondContact O-N 2.86Å; V268-R270 VanDerWaalsContact C-N 3.27Å; V268-R270 PolarHBondContact O-N 2.68Å; R270-Q273 PolarHBondContact O-N 2.86Å; R270-V274 WeakPolarHBondContact O-CB 3.43Å; R270-V274 WeakPolarHBondContact O-CG2 3.4Å; R270-V274 PolarHBondContact O-N 2.81Å; R270-Q396 VanDerWaalsContact CD-OE1 3.25Å
271F91.1Very high89.2Confident6 Ų653.5 Ų53.53%0.02628%0.283CS..Hα-helixtrans-56.7-51.3170.3172.4-89.3000110.2A189 Q267 V268 Q273 V274 N275 L280 Q281 D364A189-F271 HydrophobicContact CB-CD1 3.44Å; A189-F271 VanDerWaalsContact CB-CD1 3.44Å; A189-F271 HydrophobicContact CB-CE1 3.65Å; A189-F271 HydrophobicContact CB-CG 4.34Å; Q267-F271 PolarHBondContact O-N 3.39Å; V268-F271 WeakPolarHBondContact O-CB 3.47Å; V268-F271 PolarHBondContact O-N 2.96Å; F271-Q273 VanDerWaalsContact C-N 3.29Å; F271-Q273 PolarHBondContact O-N 3.39Å; F271-V274 PolarHBondContact O-N 2.72Å; F271-N275 HydrophobicContact CD1-CB 4.16Å; F271-N275 HydrophobicContact CE1-CB 3.76Å; F271-N275 HydrophobicContact CE2-CB 4.13Å; F271-N275 HydrophobicContact CZ-CB 3.75Å; F271-N275 WeakPolarHBondContact O-CB 3.41Å; F271-N275 PolarHBondContact O-N 2.86Å; F271-L280 WeakPolarHBondContact CZ-O 2.86Å; F271-Q281 HydrophobicContact CD1-CG 4.47Å; F271-Q281 HydrophobicContact CD2-CB 4.29Å; F271-Q281 HydrophobicContact CD2-CG 3.75Å; F271-Q281 HydrophobicContact CE1-CB 4.45Å; F271-Q281 HydrophobicContact CE2-CB 4.1Å; F271-Q281 HydrophobicContact CE2-CG 4.03Å; F271-Q281 HydrophobicContact CG-CG 3.99Å; F271-Q281 HydrophobicContact CZ-CB 4.17Å; F271-D364 VanDerWaalsContact CE2-O 3.29Å; F271-D364 WeakPolarHBondContact CE2-O 3.42Å
272L92.2Very high89.6Confident19 Ų1946.6 Ų46.610%0.09925%0.253CS..Hα-helixtrans-57.8-41-179.6-64.6169.7000112A189 G190 E191 V268 T269 S276 G277A189-L272 HydrophobicContact CB-CD2 4.37Å; G190-L272 WeakPolarHBondContact O-CD1 3.31Å; E191-L272 HydrophobicContact CG-CD1 4.26Å; V268-L272 HydrophobicContact CG1-CD1 4.32Å; V268-L272 WeakPolarHBondContact O-CG 3.27Å; V268-L272 PolarHBondContact O-N 2.87Å; T269-L272 PolarHBondContact O-N 2.79Å; L272-S276 CarbonylContact O-C 3.6Å; L272-S276 WeakPolarHBondContact O-CA 3.4Å; L272-S276 PolarHBondContact O-N 2.85Å; L272-G277 PolarHBondContact O-N 2.76Å
273Q89.5Confident90.1Very high141 Ų14138.9 Ų38.966%0.65921%0.212SC*.Hα-helixtrans-63-49.3176.3-73.7171.5-2.100112.4T269 R270 F271 S276T269-Q273 VanDerWaalsContact O-CG 3.31Å; T269-Q273 WeakPolarHBondContact O-CG 3.41Å; T269-Q273 PolarHBondContact O-N 2.87Å; R270-Q273 PolarHBondContact O-N 2.86Å; F271-Q273 VanDerWaalsContact C-N 3.29Å; F271-Q273 PolarHBondContact O-N 3.39Å; Q273-S276 PolarHBondContact O-N 3.39Å
274V86.9Confident90.7Very high60 Ų6037.6 Ų37.636%0.36420%0.203SC..Hα-helixtrans-70.1-41.5-177171.60000111R270 F271 S276 K363R270-V274 WeakPolarHBondContact O-CB 3.43Å; R270-V274 WeakPolarHBondContact O-CG2 3.4Å; R270-V274 PolarHBondContact O-N 2.81Å; F271-V274 PolarHBondContact O-N 2.72Å; V274-S276 PolarHBondContact O-N 3.47Å; V274-K363 WeakPolarHBondContact CG1-O 3.2Å
275N87Confident91.2Very high9 Ų932.2 Ų32.25%0.04818%0.178CC..Hα-helixtrans-72.6-12.7177.3-170.770.8000113.4R81 F271 G277 P278R81-N275 PolarHBondContact NH1-O 3.26Å; R81-N275 PolarHBondContact NH2-OD1 3.12Å; F271-N275 HydrophobicContact CD1-CB 4.16Å; F271-N275 HydrophobicContact CE1-CB 3.76Å; F271-N275 HydrophobicContact CE2-CB 4.13Å; F271-N275 HydrophobicContact CZ-CB 3.75Å; F271-N275 WeakPolarHBondContact O-CB 3.41Å; F271-N275 PolarHBondContact O-N 2.86Å; N275-G277 PolarHBondContact ND2-O 3.34Å; N275-P278 PolarHBondContact ND2-O 2.78Å; N275-P278 VanDerWaalsContact ND2-O 3.12Å
276S87.9Confident91.8Very high98 Ų9828 Ų2869%0.68515%0.15SC*.THydrogen-bonded Turntrans59.547.3-172.9-54.90000113.2L272 Q273 V274L272-S276 CarbonylContact O-C 3.6Å; L272-S276 WeakPolarHBondContact O-CA 3.4Å; L272-S276 PolarHBondContact O-N 2.85Å; Q273-S276 PolarHBondContact O-N 3.39Å; V274-S276 PolarHBondContact O-N 3.47Å
277G91.8Very high92.3Very high14 Ų1428.1 Ų28.114%0.14415%0.151CC..SBendtrans122.6-168.6177.400000113.6L272 N275L272-G277 PolarHBondContact O-N 2.76Å; N275-G277 PolarHBondContact ND2-O 3.34Å
278P95Very high92.7Very high18 Ų1832.1 Ų32.112%0.11717%0.173CC..SBendtrans-57.9151.2176.1-27.536.5000114V133 A189 E191 F198 N275V133-P278 HydrophobicContact CG1-CB 3.84Å; A189-P278 CarbonylContact O-C 3.46Å; A189-P278 WeakPolarHBondContact O-CA 3.22Å; A189-P278 WeakPolarHBondContact O-CB 3.33Å; E191-P278 HydrophobicContact CG-CG 4.28Å; F198-P278 HydrophobicContact CZ-CB 4.15Å; N275-P278 PolarHBondContact ND2-O 2.78Å; N275-P278 VanDerWaalsContact ND2-O 3.12Å
279G94.5Very high92.9Very high5 Ų535.4 Ų35.45%0.05219%0.191CC..EExtended strand (participates in β ladder)trans174.9-179.7179.800000115I188 A189 Q281I188-G279 CarbonylContact C-O 3.6Å; I188-G279 WeakPolarHBondContact CA-O 3.45Å; A189-G279 PolarHBondContact N-O 3.12Å; A189-G279 PolarHBondContact O-N 3.05Å; G279-Q281 PolarHBondContact O-N 3.07Å
280L95.5Very high93.1Very high4 Ų434 Ų342%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-72.6112178.3-162.7176.8000109.4V10 P84 I87 L136 I186 F271 H282 M283 F366V10-L280 HydrophobicContact CG1-CD1 3.82Å; P84-L280 HydrophobicContact CB-CB 4.29Å; P84-L280 HydrophobicContact CB-CD1 3.78Å; P84-L280 HydrophobicContact CB-CG 4.45Å; P84-L280 HydrophobicContact CG-CB 3.92Å; P84-L280 HydrophobicContact CG-CD1 4.08Å; P84-L280 HydrophobicContact CG-CD2 4.07Å; P84-L280 HydrophobicContact CG-CG 4.23Å; I87-L280 HydrophobicContact CD1-CD1 3.89Å; I87-L280 HydrophobicContact CD1-CG 4.41Å; I87-L280 HydrophobicContact CG1-CD1 3.77Å; L136-L280 HydrophobicContact CD1-CB 4.37Å; I186-L280 HydrophobicContact CG2-CD1 3.71Å; I186-L280 HydrophobicContact CG2-CD2 3.89Å; I186-L280 HydrophobicContact CG2-CG 3.48Å; I186-L280 VanDerWaalsContact CG2-CG 3.48Å; F271-L280 WeakPolarHBondContact CZ-O 2.86Å; L280-H282 WeakPolarHBondContact CD2-O 3.49Å; L280-M283 HydrophobicContact CD2-CG 4.09Å; L280-F366 HydrophobicContact CD2-CD2 3.85Å; L280-F366 HydrophobicContact CD2-CE2 3.46Å; L280-F366 VanDerWaalsContact CD2-CE2 3.46Å
281Q94.6Very high93.4Very high6 Ų630 Ų303%0.02817%0.17CC..EExtended strand (participates in β ladder)trans-86.1-48.3-175.6-168.6-161.554.500112.5A187 A189 Q267 F271 G279 F366 F367A187-Q281 PolarHBondContact O-N 2.95Å; A189-Q281 HydrophobicContact CB-CB 4.15Å; Q267-Q281 VanDerWaalsContact NE2-NE2 3.18Å; F271-Q281 HydrophobicContact CD1-CG 4.47Å; F271-Q281 HydrophobicContact CD2-CB 4.29Å; F271-Q281 HydrophobicContact CD2-CG 3.75Å; F271-Q281 HydrophobicContact CE1-CB 4.45Å; F271-Q281 HydrophobicContact CE2-CB 4.1Å; F271-Q281 HydrophobicContact CE2-CG 4.03Å; F271-Q281 HydrophobicContact CG-CG 3.99Å; F271-Q281 HydrophobicContact CZ-CB 4.17Å; G279-Q281 PolarHBondContact O-N 3.07Å; Q281-F366 VanDerWaalsContact O-CA 3.31Å; Q281-F366 WeakPolarHBondContact O-CA 3.41Å; Q281-F366 VanDerWaalsContact O-CD2 3.26Å; Q281-F366 WeakPolarHBondContact O-CD2 3.36Å; Q281-F367 HydrophobicContact CG-CD1 4.49Å; Q281-F367 HydrophobicContact CG-CE1 3.66Å; Q281-F367 HydrophobicContact CG-CZ 4.25Å; Q281-F367 PolarHBondContact O-N 2.85Å
282H95.5Very high93.6Very high18 Ų1834.3 Ų34.38%0.08319%0.193CC..EExtended strand (participates in β ladder)trans-151.7160.8176.766.5-94.7000113.2H185 A187 L280 F367 E369H185-H282 AromaticContact CD2-NE2 3.86Å; H185-H282 AromaticContact NE2-CD2 3.63Å; H185-H282 AromaticContact NE2-NE2 3.28Å; H185-H282 PolarHBondContact NE2-NE2 3.48Å; A187-H282 WeakPolarHBondContact CB-CE1 2.99Å; A187-H282 VanDerWaalsContact CB-ND1 3.3Å; A187-H282 WeakPolarHBondContact CB-ND1 3.44Å; A187-H282 WeakPolarHBondContact CB-NE2 3.14Å; A187-H282 PolarHBondContact N-O 2.94Å; A187-H282 PolarHBondContact O-N 3.14Å; L280-H282 WeakPolarHBondContact CD2-O 3.49Å; H282-F367 WeakPolarHBondContact CA-O 3.39Å; H282-F367 HydrophobicContact CB-CD1 4.22Å; H282-F367 HydrophobicContact CB-CD2 3.5Å; H282-F367 VanDerWaalsContact CB-CD2 3.5Å; H282-F367 HydrophobicContact CB-CE1 4.08Å; H282-F367 HydrophobicContact CB-CE2 3.3Å; H282-F367 HydrophobicContact CB-CG 3.96Å; H282-F367 HydrophobicContact CB-CZ 3.64Å; H282-F367 WeakPolarHBondContact CB-O 3.24Å; H282-F367 AromaticContact CG-CE2 3.37Å; H282-F367 AromaticContact CG-CZ 3.61Å; H282-F367 AromaticContact ND1-CE2 3.42Å; H282-F367 WeakPolarHBondContact ND1-CE2 3.5Å; H282-F367 AromaticContact ND1-CZ 3.19Å; H282-F367 WeakPolarHBondContact ND1-CZ 3.4Å; H282-E369 IonicContact CD2-OE2 3.71Å; H282-E369 IonicContact NE2-OE2 2.7Å
283M97.2Very high93.7Very high0 Ų033.5 Ų33.50%019%0.19CC..EExtended strand (participates in β ladder)trans-115.2126.8169.4-64.4177.561.800109.8V10 F12 T183 I186 L280 F366 M368 E369V10-M283 HydrophobicContact CB-CE 4Å; V10-M283 HydrophobicContact CB-SD 3.83Å; V10-M283 HydrophobicContact CG1-SD 3.88Å; V10-M283 HydrophobicContact CG2-CE 3.5Å; V10-M283 HydrophobicContact CG2-SD 3.73Å; F12-M283 HydrophobicContact CE2-SD 4.2Å; F12-M283 HydrophobicContact CZ-SD 4.04Å; T183-M283 HydrophobicContact CG2-CE 3.73Å; I186-M283 HydrophobicContact CG1-CG 4.37Å; L280-M283 HydrophobicContact CD2-CG 4.09Å; M283-F366 HydrophobicContact CB-CZ 4.38Å; M283-F366 HydrophobicContact CG-CE2 4.01Å; M283-F366 HydrophobicContact CG-CZ 3.98Å; M283-F366 HydrophobicContact SD-CZ 4.18Å; M283-M368 HydrophobicContact CB-CE 4.04Å; M283-M368 HydrophobicContact CB-SD 3.92Å; M283-E369 PolarHBondContact O-N 2.83Å
284G96.9Very high94Very high0 Ų026.8 Ų26.80%016%0.158CC..EExtended strand (participates in β ladder)trans-83.1127168.300000111.1T183 D184 H185 E369T183-G284 CarbonylContact C-O 3.54Å; T183-G284 WeakPolarHBondContact CA-O 3.42Å; D184-G284 PolarHBondContact N-O 2.88Å; H185-G284 PolarHBondContact O-N 2.94Å; G284-E369 CarbonylContact C-O 3.58Å
285L97.7Very high94.4Very high0 Ų026.5 Ų26.50%016%0.162CC..EExtended strand (participates in β ladder)trans-109.6118.3180-61-174.1000110.1F28 F30 V180 I287 M368 E369 L370 I371F28-L285 HydrophobicContact CD1-CD1 4.03Å; F30-L285 HydrophobicContact CE2-CD1 4.14Å; V180-L285 HydrophobicContact CG1-CB 3.89Å; V180-L285 HydrophobicContact CG1-CD1 4.31Å; V180-L285 HydrophobicContact CG1-CD2 4.01Å; V180-L285 HydrophobicContact CG1-CG 4.29Å; V180-L285 HydrophobicContact CG2-CB 4.21Å; V180-L285 HydrophobicContact CG2-CD1 3.78Å; L285-I287 HydrophobicContact CB-CD1 4.28Å; L285-I287 WeakPolarHBondContact O-CG1 3.32Å; L285-I287 PolarHBondContact O-N 3.4Å; L285-M368 HydrophobicContact CD1-CE 3.31Å; L285-M368 HydrophobicContact CD2-CE 3.75Å; L285-M368 HydrophobicContact CG-CE 3.55Å; L285-E369 PolarHBondContact N-O 3.19Å; L285-L370 HydrophobicContact CB-CD2 4.25Å; L285-L370 HydrophobicContact CD1-CD2 4.26Å; L285-I371 WeakPolarHBondContact O-CG2 3Å; L285-I371 PolarHBondContact O-N 2.78Å
286A96.5Very high94.7Very high5 Ų527.6 Ų27.64%0.04117%0.169CC..EExtended strand (participates in β ladder)trans-72.7125.2179.700000111.6K181 Y182 D184 I371K181-A286 HydrophobicContact CB-CB 4.32Å; K181-A286 WeakPolarHBondContact CB-O 3.35Å; K181-A286 PolarHBondContact N-O 3.37Å; Y182-A286 HydrophobicContact CD1-CB 4.04Å; Y182-A286 HydrophobicContact CD2-CB 3.64Å; Y182-A286 HydrophobicContact CE1-CB 3.83Å; Y182-A286 HydrophobicContact CE2-CB 3.38Å; Y182-A286 HydrophobicContact CG-CB 3.95Å; Y182-A286 VanDerWaalsContact CZ-CB 3.49Å; Y182-A286 PolarHBondContact O-N 2.81Å; D184-A286 HydrophobicContact CB-CB 4.29Å; A286-I371 CarbonylContact C-O 3.59Å; A286-I371 WeakPolarHBondContact CA-O 3.27Å
287I95.9Very high95Very high5 Ų522.9 Ų22.93%0.02614%0.136CC..EExtended strand (participates in β ladder)trans-125147.4-176.7-49.6-49.1000110.1F179 V180 L285 N289 A293 L370 I371 E372F179-I287 HydrophobicContact CD2-CD1 3.68Å; F179-I287 HydrophobicContact CE2-CD1 4.16Å; V180-I287 HydrophobicContact CB-CD1 4.17Å; V180-I287 HydrophobicContact CG2-CD1 3.73Å; L285-I287 HydrophobicContact CB-CD1 4.28Å; L285-I287 WeakPolarHBondContact O-CG1 3.32Å; L285-I287 PolarHBondContact O-N 3.4Å; I287-N289 WeakPolarHBondContact CG2-O 3.05Å; I287-A293 HydrophobicContact CG2-CB 3.66Å; I287-L370 HydrophobicContact CD1-CD2 4.36Å; I287-L370 HydrophobicContact CG1-CB 4.01Å; I287-L370 HydrophobicContact CG1-CD2 4.32Å; I287-I371 PolarHBondContact N-O 2.95Å; I287-E372 WeakPolarHBondContact O-CA 3.31Å; I287-E372 WeakPolarHBondContact O-CB 3.43Å; I287-E372 WeakPolarHBondContact O-CG 3.39Å
288D93Very high95.2Very high105 Ų10526.2 Ų26.256%0.56114%0.144SC*.SBendtrans-89.7-28.2173.9-80.1-34.8000114.1K181K181-D288 WeakPolarHBondContact CD-OD1 3.19Å; K181-D288 WeakPolarHBondContact CD-OD2 3.46Å; K181-D288 IonicContact NZ-OD1 2.85Å; K181-D288 PolarHBondContact NZ-OD1 2.93Å; K181-D288 IonicContact NZ-OD2 3.79Å; K181-D288 PolarHBondContact NZ-OD2 2.94Å
289N93.7Very high95.1Very high68 Ų6833.2 Ų33.236%0.36418%0.175SC..  trans-136.191.9174.1-177-16.5000110.4I287 I291 D292 A293 E372I287-N289 WeakPolarHBondContact CG2-O 3.05Å; N289-I291 VanDerWaalsContact C-N 3.28Å; N289-I291 PolarHBondContact O-N 3.04Å; N289-I291 PolarHBondContact OD1-N 2.96Å; N289-D292 PolarHBondContact ND2-OD2 3.17Å; N289-D292 PolarHBondContact OD1-N 2.89Å; N289-D292 VanDerWaalsContact OD1-N 3.15Å; N289-A293 WeakPolarHBondContact O-CB 3.41Å; N289-A293 PolarHBondContact O-N 3.15Å; N289-A293 VanDerWaalsContact O-N 3.1Å; N289-E372 WeakPolarHBondContact CA-OE2 3.3Å
290I95.4Very high95Very high0 Ų036.2 Ų36.20%019%0.19CC..Hα-helixtrans-66.6-28.1-176-166.5167.4000112.9A294 I336 L353 I355 L370 E372I290-A294 WeakPolarHBondContact O-CB 3.39Å; I290-A294 PolarHBondContact O-N 3.22Å; I290-I336 HydrophobicContact CB-CD1 4.43Å; I290-I336 HydrophobicContact CD1-CG2 4.24Å; I290-I336 HydrophobicContact CG1-CD1 4.1Å; I290-I336 HydrophobicContact CG2-CD1 3.84Å; I290-I336 HydrophobicContact CG2-CG2 4.28Å; I290-L353 HydrophobicContact CD1-CB 4.11Å; I290-L353 WeakPolarHBondContact CD1-O 3.39Å; I290-L353 HydrophobicContact CG2-CB 3.88Å; I290-L353 HydrophobicContact CG2-CD2 3.67Å; I290-L353 HydrophobicContact CG2-CG 4.44Å; I290-I355 HydrophobicContact CD1-CG2 4.09Å; I290-I355 HydrophobicContact CG1-CG2 4.2Å; I290-L370 HydrophobicContact CD1-CB 4.28Å; I290-L370 VanDerWaalsContact CD1-O 3.32Å; I290-L370 WeakPolarHBondContact CD1-O 3.1Å; I290-L370 HydrophobicContact CG1-CB 4.21Å; I290-E372 HydrophobicContact CB-CB 3.94Å; I290-E372 HydrophobicContact CG2-CB 4.15Å; I290-E372 VanDerWaalsContact CG2-OE2 3.26Å; I290-E372 WeakPolarHBondContact CG2-OE2 3.48Å; I290-E372 PolarHBondContact N-OE2 2.8Å
291I94.6Very high94.9Very high48 Ų4838.9 Ų38.925%0.24622%0.219CC..Hα-helixtrans-67.7-50.1-179.7-66174.6000109.6N289 A294 A295 K330 I336N289-I291 VanDerWaalsContact C-N 3.28Å; N289-I291 PolarHBondContact O-N 3.04Å; N289-I291 PolarHBondContact OD1-N 2.96Å; I291-A294 PolarHBondContact O-N 3.26Å; I291-A295 WeakPolarHBondContact O-CB 3.27Å; I291-A295 PolarHBondContact O-N 3.13Å; I291-K330 HydrophobicContact CD1-CB 4.42Å; I291-I336 HydrophobicContact CG1-CD1 3.86Å
292D94.1Very high94.9Very high98 Ų9839.2 Ų39.252%0.52422%0.221SC..Hα-helixtrans-69.3-38.2-179.7-68.9-7.8000111.4N289 A295 T296N289-D292 PolarHBondContact ND2-OD2 3.17Å; N289-D292 PolarHBondContact OD1-N 2.89Å; N289-D292 VanDerWaalsContact OD1-N 3.15Å; D292-A295 PolarHBondContact O-N 2.87Å; D292-T296 WeakPolarHBondContact O-CB 3.15Å; D292-T296 PolarHBondContact O-N 3.18Å; D292-T296 PolarHBondContact O-OG1 3.48Å
293A95.3Very high94.8Very high2 Ų244.9 Ų44.92%0.01725%0.245CC..Hα-helixtrans-62-50.617400000111.3F179 I287 N289 A295 T296 C297 L370F179-A293 HydrophobicContact CD2-CB 3.78Å; F179-A293 HydrophobicContact CE2-CB 3.89Å; F179-A293 HydrophobicContact CG-CB 4.14Å; F179-A293 HydrophobicContact CZ-CB 4.34Å; I287-A293 HydrophobicContact CG2-CB 3.66Å; N289-A293 WeakPolarHBondContact O-CB 3.41Å; N289-A293 PolarHBondContact O-N 3.15Å; N289-A293 VanDerWaalsContact O-N 3.1Å; A293-A295 VanDerWaalsContact C-N 3.28Å; A293-A295 PolarHBondContact O-N 3.31Å; A293-T296 WeakPolarHBondContact O-CB 3.04Å; A293-T296 PolarHBondContact O-N 3.18Å; A293-T296 VanDerWaalsContact O-N 3.1Å; A293-C297 PolarHBondContact O-N 2.86Å; A293-C297 PolarHBondContact O-SG 2.86Å; A293-L370 HydrophobicContact CB-CD1 4.22Å
294A95.4Very high94.7Very high0 Ų045.5 Ų45.50%025%0.248CC..Hα-helixtrans-62.9-34.2178.900000112.4I290 I291 R298 F304 I336 I355 L370I290-A294 WeakPolarHBondContact O-CB 3.39Å; I290-A294 PolarHBondContact O-N 3.22Å; I291-A294 PolarHBondContact O-N 3.26Å; A294-R298 WeakPolarHBondContact O-CG 3.44Å; A294-R298 PolarHBondContact O-N 3Å; A294-F304 HydrophobicContact CB-CE2 4.42Å; A294-F304 HydrophobicContact CB-CZ 4.32Å; A294-I336 HydrophobicContact CB-CD1 4.41Å; A294-I355 HydrophobicContact CB-CD1 4.29Å; A294-I355 HydrophobicContact CB-CG2 4.38Å; A294-L370 HydrophobicContact CB-CD1 4.49Å
295A94.4Very high94.3Very high54 Ų5446.4 Ų46.445%0.44625%0.252SS..Hα-helixtrans-64.7-45.1172.400000111.7I291 D292 A293 R298 Q299I291-A295 WeakPolarHBondContact O-CB 3.27Å; I291-A295 PolarHBondContact O-N 3.13Å; D292-A295 PolarHBondContact O-N 2.87Å; A293-A295 VanDerWaalsContact C-N 3.28Å; A293-A295 PolarHBondContact O-N 3.31Å; A295-R298 PolarHBondContact O-N 3.19Å; A295-Q299 WeakPolarHBondContact O-CB 3.44Å; A295-Q299 PolarHBondContact O-N 3.45Å
296T93.4Very high93.7Very high31 Ų3151.2 Ų51.219%0.1928%0.282CS..Hα-helixtrans-60.9-46.1175.7-56.80000111.3F179 D292 A293 R298 Q299 N300F179-T296 HydrophobicContact CE1-CG2 4.03Å; D292-T296 WeakPolarHBondContact O-CB 3.15Å; D292-T296 PolarHBondContact O-N 3.18Å; D292-T296 PolarHBondContact O-OG1 3.48Å; A293-T296 WeakPolarHBondContact O-CB 3.04Å; A293-T296 PolarHBondContact O-N 3.18Å; A293-T296 VanDerWaalsContact O-N 3.1Å; T296-R298 PolarHBondContact O-N 2.66Å; T296-Q299 PolarHBondContact O-N 2.62Å; T296-N300 PolarHBondContact O-N 2.8Å; T296-N300 PolarHBondContact O-ND2 2.86Å
297C94.9Very high93.1Very high0 Ų051.4 Ų51.40%028%0.283CS..Hα-helixtrans-56.6-48.8175.8-63.60000111.3G27 A293 Q299 N300 G301 I302 F304G27-C297 WeakPolarHBondContact O-CA 3.17Å; G27-C297 PolarHBondContact O-SG 3.48Å; A293-C297 PolarHBondContact O-N 2.86Å; A293-C297 PolarHBondContact O-SG 2.86Å; C297-Q299 PolarHBondContact O-N 2.76Å; C297-N300 CarbonylContact O-C 3.57Å; C297-N300 PolarHBondContact O-N 2.85Å; C297-N300 VanDerWaalsContact O-N 3.15Å; C297-G301 PolarHBondContact O-N 3.11Å; C297-I302 HydrophobicContact CB-CB 3.86Å; C297-I302 HydrophobicContact CB-CG1 4.07Å; C297-I302 HydrophobicContact CB-CG2 4.24Å; C297-I302 VanDerWaalsContact O-CB 3.29Å; C297-I302 WeakPolarHBondContact O-CB 3.4Å; C297-I302 WeakPolarHBondContact O-CG1 3.45Å; C297-I302 PolarHBondContact O-N 3.47Å; C297-F304 HydrophobicContact CB-CE2 3.6Å; C297-F304 HydrophobicContact CB-CZ 3.46Å; C297-F304 VanDerWaalsContact CB-CZ 3.46Å
298R94.7Very high92.5Very high84 Ų8452.7 Ų52.732%0.31729%0.292SS..Hα-helixtrans-61.7-43.7179-77.4-178.4179.492.96.1112.8A294 A295 T296 N300 G301 F304 S334A294-R298 WeakPolarHBondContact O-CG 3.44Å; A294-R298 PolarHBondContact O-N 3Å; A295-R298 PolarHBondContact O-N 3.19Å; T296-R298 PolarHBondContact O-N 2.66Å; R298-N300 PolarHBondContact O-N 3.17Å; R298-G301 PolarHBondContact O-N 2.95Å; R298-F304 HydrophobicContact CG-CD2 3.79Å; R298-F304 HydrophobicContact CG-CE2 3.83Å; R298-S334 VanDerWaalsContact CZ-O 3.22Å; R298-S334 PolarHBondContact NH1-O 3.1Å; R298-S334 PolarHBondContact NH2-O 3.02Å
299Q94.1Very high92.1Very high164 Ų16452 Ų5277%0.76629%0.288SS*.Hα-helixtrans-58.6-31.6177.9-174.2177.913.900111.6A295 T296 C297 G301A295-Q299 WeakPolarHBondContact O-CB 3.44Å; A295-Q299 PolarHBondContact O-N 3.45Å; T296-Q299 PolarHBondContact O-N 2.62Å; C297-Q299 PolarHBondContact O-N 2.76Å; Q299-G301 VanDerWaalsContact C-N 3.34Å
300N92.3Very high91.7Very high68 Ų6852.2 Ų52.236%0.36429%0.292SS..THydrogen-bonded Turntrans-94.418.4177.5-67.4-73.3000113.5K26 T296 C297 R298K26-N300 HydrophobicContact CB-CB 4.18Å; K26-N300 WeakPolarHBondContact O-CB 3.4Å; K26-N300 PolarHBondContact O-ND2 2.6Å; K26-N300 VanDerWaalsContact O-ND2 3.09Å; T296-N300 PolarHBondContact O-N 2.8Å; T296-N300 PolarHBondContact O-ND2 2.86Å; C297-N300 CarbonylContact O-C 3.57Å; C297-N300 PolarHBondContact O-N 2.85Å; C297-N300 VanDerWaalsContact O-N 3.15Å; R298-N300 PolarHBondContact O-N 3.17Å
301G93Very high91.2Very high60 Ų6052.9 Ų52.962%0.61930%0.295SS*.THydrogen-bonded Turntrans86.34170.600000115.9C297 R298 Q299 K303C297-G301 PolarHBondContact O-N 3.11Å; R298-G301 PolarHBondContact O-N 2.95Å; Q299-G301 VanDerWaalsContact C-N 3.34Å; G301-K303 PolarHBondContact O-N 3.43Å
302I94.8Very high91Very high13 Ų1350.9 Ų50.97%0.06728%0.284CS..  trans-71.4125.6174.4-54.8-57.9000109.6T23 F28 C297 F304 T357 L360T23-I302 HydrophobicContact CG2-CD1 3.85Å; F28-I302 HydrophobicContact CD2-CD1 4.33Å; F28-I302 HydrophobicContact CE2-CD1 3.63Å; F28-I302 HydrophobicContact CE2-CG1 4.15Å; F28-I302 HydrophobicContact CZ-CD1 4.13Å; F28-I302 HydrophobicContact CZ-CG1 4.36Å; F28-I302 HydrophobicContact CZ-CG2 4.12Å; C297-I302 HydrophobicContact CB-CB 3.86Å; C297-I302 HydrophobicContact CB-CG1 4.07Å; C297-I302 HydrophobicContact CB-CG2 4.24Å; C297-I302 VanDerWaalsContact O-CB 3.29Å; C297-I302 WeakPolarHBondContact O-CB 3.4Å; C297-I302 WeakPolarHBondContact O-CG1 3.45Å; C297-I302 PolarHBondContact O-N 3.47Å; I302-F304 HydrophobicContact CG2-CE1 4.45Å; I302-F304 HydrophobicContact CG2-CE2 4.13Å; I302-F304 HydrophobicContact CG2-CZ 4.06Å; I302-T357 HydrophobicContact CG2-CG2 3.54Å; I302-L360 HydrophobicContact CD1-CD2 4.27Å
303K94.1Very high90.6Very high137 Ų13752.2 Ų52.260%0.59629%0.287SS*.  trans-93.7142.4175.5-62.5178.8176.6178.80110.4G301 T357 E358G301-K303 PolarHBondContact O-N 3.43Å; K303-T357 CarbonylContact O-C 3.51Å; K303-T357 VanDerWaalsContact O-CA 3.26Å; K303-T357 WeakPolarHBondContact O-CA 3.21Å; K303-T357 WeakPolarHBondContact O-CB 3.36Å; K303-E358 HydrophobicContact CB-CB 4.17Å; K303-E358 HydrophobicContact CB-CG 3.95Å; K303-E358 WeakPolarHBondContact CD-OE2 3.26Å; K303-E358 PolarHBondContact O-N 3.41Å
304F93.5Very high90.2Very high13 Ų1353.7 Ų53.76%0.05730%0.296CS..BIsolated β-bridgetrans-118.6146.1179.2-67.9-81.8000110.7A294 C297 R298 I302 I355 F356 T357 L370A294-F304 HydrophobicContact CB-CE2 4.42Å; A294-F304 HydrophobicContact CB-CZ 4.32Å; C297-F304 HydrophobicContact CB-CE2 3.6Å; C297-F304 HydrophobicContact CB-CZ 3.46Å; C297-F304 VanDerWaalsContact CB-CZ 3.46Å; R298-F304 HydrophobicContact CG-CD2 3.79Å; R298-F304 HydrophobicContact CG-CE2 3.83Å; I302-F304 HydrophobicContact CG2-CE1 4.45Å; I302-F304 HydrophobicContact CG2-CE2 4.13Å; I302-F304 HydrophobicContact CG2-CZ 4.06Å; F304-I355 HydrophobicContact CB-CD1 3.78Å; F304-I355 HydrophobicContact CB-CG1 4.07Å; F304-I355 HydrophobicContact CD1-CB 4.33Å; F304-I355 HydrophobicContact CD1-CD1 3.49Å; F304-I355 VanDerWaalsContact CD1-CD1 3.49Å; F304-I355 HydrophobicContact CD1-CG1 3.5Å; F304-I355 VanDerWaalsContact CD1-CG1 3.5Å; F304-I355 HydrophobicContact CD1-CG2 4.1Å; F304-I355 HydrophobicContact CD2-CD1 4.06Å; F304-I355 HydrophobicContact CE1-CD1 3.99Å; F304-I355 HydrophobicContact CE1-CG1 4.1Å; F304-I355 HydrophobicContact CE1-CG2 3.79Å; F304-I355 HydrophobicContact CG-CD1 3.5Å; F304-I355 HydrophobicContact CG-CG1 3.94Å; F304-I355 HydrophobicContact CZ-CD1 4.47Å; F304-F356 WeakPolarHBondContact CA-O 3.29Å; F304-F356 WeakPolarHBondContact CD1-O 3.4Å; F304-T357 HydrophobicContact CD1-CG2 3.92Å; F304-T357 HydrophobicContact CE1-CG2 3.67Å; F304-T357 HydrophobicContact CZ-CG2 4.4Å; F304-L370 HydrophobicContact CE1-CD1 4.21Å; F304-L370 HydrophobicContact CE1-CG 4.48Å; F304-L370 HydrophobicContact CZ-CD1 4.07Å
305I89.5Confident89.7Confident19 Ų1953.8 Ų53.810%0.09730%0.297CS..  trans-64.6135.6169.5-63151.8000108F356 T357 L388 A391 L392I305-F356 HydrophobicContact CD1-CB 3.82Å; I305-F356 PolarHBondContact N-O 3.34Å; I305-T357 VanDerWaalsContact CD1-O 3.29Å; I305-T357 WeakPolarHBondContact CD1-O 3.27Å; I305-L388 HydrophobicContact CD1-CD1 4.15Å; I305-L388 HydrophobicContact CG2-CD1 4.29Å; I305-A391 HydrophobicContact CG2-CB 4.09Å; I305-L392 HydrophobicContact CD1-CD1 4.47Å; I305-L392 HydrophobicContact CD1-CD2 3.33Å; I305-L392 HydrophobicContact CD1-CG 4.03Å; I305-L392 HydrophobicContact CG1-CD2 3.92Å; I305-L392 HydrophobicContact CG2-CD2 4.24Å; I305-L392 HydrophobicContact CG2-CG 4.37Å
306T85.8Confident89.1Confident102 Ų10254.5 Ų54.563%0.62630%0.298SS*.  trans-105.8126.3-179.5-58.60000109.9
307A84Confident88.6Confident8 Ų860.7 Ų60.77%0.06633%0.325CS..  trans-74150.4174.600000111.7Y311 Y312 L337 A391A307-Y311 HydrophobicContact CB-CD1 4.23Å; A307-Y311 HydrophobicContact CB-CG 4.33Å; A307-Y312 HydrophobicContact CB-CE2 4.1Å; A307-L337 HydrophobicContact CB-CD2 3.68Å; A307-A391 HydrophobicContact CB-CB 4.46Å
308P82Confident88Confident33 Ų3365.8 Ų65.821%0.21434%0.344CS..  trans-59.9147.7174.7-23.534.2000112.4V310 Y311 I394P308-V310 HydrophobicContact CB-CG1 4.03Å; P308-V310 PolarHBondContact O-N 2.51Å; P308-V310 VanDerWaalsContact O-N 3.1Å; P308-Y311 WeakPolarHBondContact O-CB 3.23Å; P308-Y311 PolarHBondContact O-N 3.21Å; P308-I394 HydrophobicContact CG-CD1 3.53Å
309D85.2Confident87.4Confident90 Ų9062.1 Ų62.148%0.48133%0.331SS..Hα-helixtrans-53.3-36.3179.7-82.3-22.9000113.6Y311 Y312 E313 K332D309-Y311 PolarHBondContact O-N 3.5Å; D309-Y311 VanDerWaalsContact O-N 3.15Å; D309-Y312 PolarHBondContact O-N 2.97Å; D309-E313 WeakPolarHBondContact O-CG 2.98Å; D309-E313 PolarHBondContact O-N 2.95Å; D309-E313 VanDerWaalsContact O-N 3.08Å; D309-K332 VanDerWaalsContact CG-NZ 3.32Å; D309-K332 WeakPolarHBondContact OD1-CE 3.05Å; D309-K332 IonicContact OD1-NZ 2.62Å; D309-K332 PolarHBondContact OD1-NZ 2.7Å; D309-K332 IonicContact OD2-NZ 3.45Å
310V84.5Confident86.8Confident73 Ų7358.1 Ų58.144%0.44231%0.314SS..Hα-helixtrans-58.7-27.6178.571.20000112.9P308 T314P308-V310 HydrophobicContact CB-CG1 4.03Å; P308-V310 PolarHBondContact O-N 2.51Å; P308-V310 VanDerWaalsContact O-N 3.1Å; V310-T314 HydrophobicContact CG2-CG2 4.4Å; V310-T314 WeakPolarHBondContact O-CG2 3.42Å; V310-T314 PolarHBondContact O-N 2.81Å; V310-T314 VanDerWaalsContact O-N 3.12Å; V310-T314 PolarHBondContact O-OG1 2.99Å; V310-T314 VanDerWaalsContact O-OG1 3.07Å
311Y86.6Confident86.4Confident14 Ų1456.2 Ų56.26%0.05530%0.304CS..Hα-helixtrans-59.8-50.4173.4172-97.8000110.7A307 P308 D309 T314 L315 L337 V338 N384 A387A307-Y311 HydrophobicContact CB-CD1 4.23Å; A307-Y311 HydrophobicContact CB-CG 4.33Å; P308-Y311 WeakPolarHBondContact O-CB 3.23Å; P308-Y311 PolarHBondContact O-N 3.21Å; D309-Y311 PolarHBondContact O-N 3.5Å; D309-Y311 VanDerWaalsContact O-N 3.15Å; Y311-T314 PolarHBondContact O-N 2.95Å; Y311-T314 PolarHBondContact O-OG1 3.48Å; Y311-L315 PolarHBondContact O-N 2.57Å; Y311-L337 HydrophobicContact CD1-CD2 3.84Å; Y311-L337 HydrophobicContact CD2-CD2 4.43Å; Y311-L337 HydrophobicContact CE1-CB 4.44Å; Y311-L337 HydrophobicContact CE1-CD2 3.43Å; Y311-L337 VanDerWaalsContact CE1-CD2 3.43Å; Y311-L337 HydrophobicContact CE2-CD2 4.06Å; Y311-L337 HydrophobicContact CG-CD2 4.32Å; Y311-L337 WeakPolarHBondContact OH-CA 3.29Å; Y311-V338 PolarHBondContact OH-N 3.14Å; Y311-V338 PolarHBondContact OH-O 3.38Å; Y311-V338 VanDerWaalsContact OH-O 3.07Å; Y311-N384 PolarHBondContact OH-OD1 2.89Å; Y311-N384 VanDerWaalsContact OH-OD1 3.13Å; Y311-A387 HydrophobicContact CD2-CB 3.33Å; Y311-A387 HydrophobicContact CE2-CB 3.32Å; Y311-A387 HydrophobicContact CG-CB 4.3Å
312Y88.8Confident85.9Confident6 Ų662.4 Ų62.42%0.02431%0.314CS..Hα-helixtrans-70.2-36.5-179.2-62-72.9000112.3A307 D309 T314 L315 L328 L331 K332 G335 I336A307-Y312 HydrophobicContact CB-CE2 4.1Å; D309-Y312 PolarHBondContact O-N 2.97Å; Y312-T314 VanDerWaalsContact C-N 3.29Å; Y312-T314 PolarHBondContact O-N 3.04Å; Y312-L315 WeakPolarHBondContact O-CB 3.2Å; Y312-L315 PolarHBondContact O-N 3.45Å; Y312-L328 HydrophobicContact CD1-CD1 4.41Å; Y312-L331 HydrophobicContact CE1-CB 4.29Å; Y312-K332 HydrophobicContact CD1-CB 3.96Å; Y312-K332 HydrophobicContact CD2-CB 4.16Å; Y312-K332 HydrophobicContact CD2-CD 4.41Å; Y312-K332 HydrophobicContact CD2-CG 3.83Å; Y312-K332 HydrophobicContact CE1-CB 4.29Å; Y312-K332 HydrophobicContact CE2-CB 4.46Å; Y312-K332 HydrophobicContact CE2-CG 4.23Å; Y312-K332 HydrophobicContact CG-CB 3.9Å; Y312-K332 HydrophobicContact CG-CD 4.45Å; Y312-K332 HydrophobicContact CG-CG 4Å; Y312-G335 WeakPolarHBondContact OH-CA 3.27Å; Y312-G335 PolarHBondContact OH-O 3.46Å; Y312-I336 WeakPolarHBondContact CE1-O 3.4Å; Y312-I336 PolarHBondContact OH-N 3.14Å; Y312-I336 PolarHBondContact OH-O 3.36Å
313E86.8Confident85.1Confident126 Ų12667.5 Ų67.559%0.58934%0.338SS*.Hα-helixtrans-60.1-39.9176-68.7173.1-178.100111.9D309D309-E313 WeakPolarHBondContact O-CG 2.98Å; D309-E313 PolarHBondContact O-N 2.95Å; D309-E313 VanDerWaalsContact O-N 3.08Å
314T85.8Confident84.3Confident33 Ų3361.6 Ų61.620%0.20231%0.312CS..Hα-helixtrans-87-10.717964.40000114V310 Y311 Y312 S316 Q317 R318V310-T314 HydrophobicContact CG2-CG2 4.4Å; V310-T314 WeakPolarHBondContact O-CG2 3.42Å; V310-T314 PolarHBondContact O-N 2.81Å; V310-T314 VanDerWaalsContact O-N 3.12Å; V310-T314 PolarHBondContact O-OG1 2.99Å; V310-T314 VanDerWaalsContact O-OG1 3.07Å; Y311-T314 PolarHBondContact O-N 2.95Å; Y311-T314 PolarHBondContact O-OG1 3.48Å; Y312-T314 VanDerWaalsContact C-N 3.29Å; Y312-T314 PolarHBondContact O-N 3.04Å; T314-S316 VanDerWaalsContact C-N 3.33Å; T314-S316 PolarHBondContact O-N 3.07Å; T314-Q317 WeakPolarHBondContact O-CB 3.37Å; T314-Q317 PolarHBondContact O-N 2.84Å; T314-Q317 VanDerWaalsContact O-N 3.12Å; T314-R318 PolarHBondContact OG1-NH2 3.06Å
315L86.3Confident83.9Confident2 Ų266 Ų661%0.0135%0.345CS..Hα-helixtrans-60.3-41.6-175.6-174.360.6000112.4Y311 Y312 Q317 R318 I319 L321 L328 L331 V338Y311-L315 PolarHBondContact O-N 2.57Å; Y312-L315 WeakPolarHBondContact O-CB 3.2Å; Y312-L315 PolarHBondContact O-N 3.45Å; L315-Q317 PolarHBondContact O-N 2.88Å; L315-Q317 VanDerWaalsContact O-N 3.11Å; L315-R318 PolarHBondContact O-N 2.91Å; L315-I319 HydrophobicContact CD1-CG2 3.78Å; L315-I319 HydrophobicContact CG-CG2 3.87Å; L315-I319 PolarHBondContact O-N 2.84Å; L315-I319 VanDerWaalsContact O-N 3.09Å; L315-L321 HydrophobicContact CD2-CD2 4.32Å; L315-L321 HydrophobicContact CG-CD2 4.44Å; L315-L328 HydrophobicContact CB-CD1 4.31Å; L315-L328 HydrophobicContact CD2-CD1 3.95Å; L315-L331 HydrophobicContact CD2-CD1 4.05Å; L315-V338 HydrophobicContact CD1-CB 4.37Å; L315-V338 HydrophobicContact CD2-CB 4.47Å; L315-V338 HydrophobicContact CD2-CG2 4.45Å
316S81Confident83.7Confident68 Ų6866 Ų6648%0.47634%0.344SS..Hα-helixtrans-60.1-21.8179.164.40000114.2T314T314-S316 VanDerWaalsContact C-N 3.33Å; T314-S316 PolarHBondContact O-N 3.07Å
317Q83.5Confident83.9Confident162 Ų16264.5 Ų64.576%0.75733%0.333SS*.Hα-helixtrans-83.8-19.7176.2-58.5175.8-0.900112.2T314 L315T314-Q317 WeakPolarHBondContact O-CB 3.37Å; T314-Q317 PolarHBondContact O-N 2.84Å; T314-Q317 VanDerWaalsContact O-N 3.12Å; L315-Q317 PolarHBondContact O-N 2.88Å; L315-Q317 VanDerWaalsContact O-N 3.11Å
318R81.4Confident84.2Confident107 Ų10766.3 Ų66.340%0.40434%0.341SS..Hα-helixtrans-97.6-39.3-174.5-60.7-179.5-169.4-176.94.1112T314 L315 K340T314-R318 PolarHBondContact OG1-NH2 3.06Å; L315-R318 PolarHBondContact O-N 2.91Å; R318-K340 VanDerWaalsContact O-CD 3.23Å; R318-K340 WeakPolarHBondContact O-CD 3.36Å; R318-K340 WeakPolarHBondContact O-CE 3.29Å; R318-K340 PolarHBondContact O-NZ 2.82Å
319I82.3Confident84.6Confident6 Ų670.7 Ų70.73%0.03136%0.359CS..SBendtrans-126.2141.3-176.3-170.3164.6000111.9L315 L321 F324 L326 V338 K340L315-I319 HydrophobicContact CD1-CG2 3.78Å; L315-I319 HydrophobicContact CG-CG2 3.87Å; L315-I319 PolarHBondContact O-N 2.84Å; L315-I319 VanDerWaalsContact O-N 3.09Å; I319-L321 HydrophobicContact CG2-CD2 3.75Å; I319-L321 HydrophobicContact CG2-CG 4.27Å; I319-L321 PolarHBondContact O-N 2.72Å; I319-F324 HydrophobicContact CG1-CD2 4.43Å; I319-L326 HydrophobicContact CD1-CD1 3.53Å; I319-L326 HydrophobicContact CG1-CD1 4.21Å; I319-V338 HydrophobicContact CD1-CG1 3.62Å; I319-K340 HydrophobicContact CD1-CB 4.35Å; I319-K340 HydrophobicContact CG1-CB 4.5Å
320N82.2Confident85Confident80 Ų8072 Ų7243%0.42836%0.36SS..  trans-76.585.8172.8-172.2-8000110.5K322 E323 F324N320-K322 PolarHBondContact O-N 2.77Å; N320-K322 VanDerWaalsContact O-N 3.11Å; N320-E323 HydrophobicContact CB-CB 3.99Å; N320-E323 WeakPolarHBondContact ND2-CB 3.02Å; N320-E323 PolarHBondContact ND2-OE2 3.48Å; N320-E323 PolarHBondContact O-N 2.82Å; N320-E323 VanDerWaalsContact O-N 3.16Å; N320-E323 PolarHBondContact OD1-N 3.37Å; N320-F324 WeakPolarHBondContact O-CD2 3.26Å; N320-F324 PolarHBondContact O-N 2.88Å
321L83.1Confident85.4Confident28 Ų2868.6 Ų68.615%0.14734%0.339CS..THydrogen-bonded Turntrans-52.1-38.2-175.3-65.9172000113.5L315 I319 S325 L326 L328 L331L315-L321 HydrophobicContact CD2-CD2 4.32Å; L315-L321 HydrophobicContact CG-CD2 4.44Å; I319-L321 HydrophobicContact CG2-CD2 3.75Å; I319-L321 HydrophobicContact CG2-CG 4.27Å; I319-L321 PolarHBondContact O-N 2.72Å; L321-S325 PolarHBondContact O-N 3.26Å; L321-L326 HydrophobicContact CB-CB 4.3Å; L321-L326 HydrophobicContact CD2-CB 3.67Å; L321-L326 HydrophobicContact CD2-CD1 4.08Å; L321-L326 PolarHBondContact O-N 3.1Å; L321-L328 HydrophobicContact CD1-CB 4.04Å; L321-L328 HydrophobicContact CD1-CD1 4.37Å; L321-L331 HydrophobicContact CD2-CD1 4.37Å
322K81.7Confident85.6Confident190 Ų19071.2 Ų71.283%0.82635%0.351SS*.THydrogen-bonded Turntrans-68.2-44.8-178.5-70.7-174.3179.2-179.60112.5N320 F324 S325N320-K322 PolarHBondContact O-N 2.77Å; N320-K322 VanDerWaalsContact O-N 3.11Å; K322-F324 PolarHBondContact O-N 2.97Å; K322-S325 PolarHBondContact O-N 3.24Å
323E78.6Confident85.7Confident121 Ų12176.4 Ų76.457%0.56538%0.384SS*.THydrogen-bonded Turntrans-62-35-178.5-178.1176.9177.300111.9N320N320-E323 HydrophobicContact CB-CB 3.99Å; N320-E323 WeakPolarHBondContact ND2-CB 3.02Å; N320-E323 PolarHBondContact ND2-OE2 3.48Å; N320-E323 PolarHBondContact O-N 2.82Å; N320-E323 VanDerWaalsContact O-N 3.16Å; N320-E323 PolarHBondContact OD1-N 3.37Å
324F76.9Confident86Confident13 Ų1371 Ų716%0.05736%0.36CS..THydrogen-bonded Turntrans-99.512.2-178.3-64.9-88.9000113.7I319 N320 K322 L326 Q348 R374 N375I319-F324 HydrophobicContact CG1-CD2 4.43Å; N320-F324 WeakPolarHBondContact O-CD2 3.26Å; N320-F324 PolarHBondContact O-N 2.88Å; K322-F324 PolarHBondContact O-N 2.97Å; F324-L326 VanDerWaalsContact C-N 3.26Å; F324-L326 HydrophobicContact CB-CD1 3.85Å; F324-L326 HydrophobicContact CB-CG 4.01Å; F324-L326 PolarHBondContact O-N 2.81Å; F324-Q348 HydrophobicContact CE1-CG 4.08Å; F324-Q348 HydrophobicContact CE2-CB 4.42Å; F324-Q348 HydrophobicContact CE2-CG 3.83Å; F324-Q348 HydrophobicContact CZ-CB 4.1Å; F324-Q348 HydrophobicContact CZ-CG 3.4Å; F324-Q348 VanDerWaalsContact CZ-CG 3.4Å; F324-R374 PolarHBondContact O-NH1 2.88Å; F324-N375 WeakPolarHBondContact CE1-ND2 3.46Å
325S85.2Confident86.3Confident106 Ų10669.7 Ų69.774%0.74135%0.352SS*.THydrogen-bonded Turntrans50.944.8-180-58.30000112.8L321 K322L321-S325 PolarHBondContact O-N 3.26Å; K322-S325 PolarHBondContact O-N 3.24Å
326L84.9Confident86.7Confident17 Ų1769.6 Ų69.69%0.08935%0.352CS..  trans-100128.2179.8-65.3167.9000110I319 L321 F324 L331 V338 L353I319-L326 HydrophobicContact CD1-CD1 3.53Å; I319-L326 HydrophobicContact CG1-CD1 4.21Å; L321-L326 HydrophobicContact CB-CB 4.3Å; L321-L326 HydrophobicContact CD2-CB 3.67Å; L321-L326 HydrophobicContact CD2-CD1 4.08Å; L321-L326 PolarHBondContact O-N 3.1Å; F324-L326 VanDerWaalsContact C-N 3.26Å; F324-L326 HydrophobicContact CB-CD1 3.85Å; F324-L326 HydrophobicContact CB-CG 4.01Å; F324-L326 PolarHBondContact O-N 2.81Å; L326-L331 HydrophobicContact CB-CD1 4.11Å; L326-L331 HydrophobicContact CD2-CD1 4.37Å; L326-V338 HydrophobicContact CD1-CG1 3.77Å; L326-V338 HydrophobicContact CD2-CG1 4.48Å; L326-V338 HydrophobicContact CD2-CG2 4.46Å; L326-L353 HydrophobicContact CD2-CD1 4.39Å; L326-L353 HydrophobicContact CD2-CD2 3.9Å; L326-L353 HydrophobicContact CD2-CG 4.4Å
327D90.7Very high87.3Confident72 Ų7266.6 Ų66.639%0.38533%0.331SS..  trans-101.8111.9177.5-179.6-27.1000109.1E329 K330 L331D327-E329 VanDerWaalsContact C-N 3.31Å; D327-E329 PolarHBondContact O-N 3.18Å; D327-E329 PolarHBondContact OD1-N 3.19Å; D327-K330 HydrophobicContact CB-CB 3.99Å; D327-K330 HydrophobicContact CB-CD 3.96Å; D327-K330 HydrophobicContact CB-CG 4.03Å; D327-K330 PolarHBondContact O-N 2.96Å; D327-K330 PolarHBondContact OD1-N 3.31Å; D327-K330 WeakPolarHBondContact OD2-CE 3.25Å; D327-K330 WeakPolarHBondContact OD2-CG 3.23Å; D327-L331 VanDerWaalsContact O-CG 3.27Å; D327-L331 WeakPolarHBondContact O-CG 3.49Å; D327-L331 PolarHBondContact O-N 3.26Å
328L90.5Very high87.7Confident46 Ų4659.1 Ų59.124%0.24130%0.296CS..Hα-helixtrans-59.7-40.6-174.9-174.861.4000112.5Y312 L315 L321 L331 K332Y312-L328 HydrophobicContact CD1-CD1 4.41Å; L315-L328 HydrophobicContact CB-CD1 4.31Å; L315-L328 HydrophobicContact CD2-CD1 3.95Å; L321-L328 HydrophobicContact CD1-CB 4.04Å; L321-L328 HydrophobicContact CD1-CD1 4.37Å; L328-L331 PolarHBondContact O-N 3.46Å; L328-K332 WeakPolarHBondContact O-CB 3.47Å; L328-K332 PolarHBondContact O-N 2.87Å
329E91.4Very high88Confident124 Ų12454.3 Ų54.358%0.57928%0.279SS*.Hα-helixtrans-69.6-38.7-178.4-68.9-56.2130.300110.8D327 T333D327-E329 VanDerWaalsContact C-N 3.31Å; D327-E329 PolarHBondContact O-N 3.18Å; D327-E329 PolarHBondContact OD1-N 3.19Å; E329-T333 VanDerWaalsContact O-CB 3.25Å; E329-T333 WeakPolarHBondContact O-CB 3.38Å; E329-T333 PolarHBondContact O-N 3.45Å; E329-T333 PolarHBondContact O-OG1 3.44Å
330K92.5Very high88.2Confident117 Ų11757.5 Ų57.551%0.50929%0.292SS..Hα-helixtrans-64.6-44.9172.7-69.9-176.5-173.6-179.90111.5I291 D327 K332 T333 S334I291-K330 HydrophobicContact CD1-CB 4.42Å; D327-K330 HydrophobicContact CB-CB 3.99Å; D327-K330 HydrophobicContact CB-CD 3.96Å; D327-K330 HydrophobicContact CB-CG 4.03Å; D327-K330 PolarHBondContact O-N 2.96Å; D327-K330 PolarHBondContact OD1-N 3.31Å; D327-K330 WeakPolarHBondContact OD2-CE 3.25Å; D327-K330 WeakPolarHBondContact OD2-CG 3.23Å; K330-K332 PolarHBondContact O-N 3.2Å; K330-T333 PolarHBondContact O-N 2.9Å; K330-S334 WeakPolarHBondContact O-CB 3.46Å; K330-S334 PolarHBondContact O-N 2.97Å; K330-S334 PolarHBondContact O-OG 3.24Å
331L93.2Very high88.2Confident2 Ų255.2 Ų55.21%0.0128%0.279CS..Hα-helixtrans-59.9-46.5177.8-70.1170.7000111.3Y312 L315 L321 L326 D327 L328 S334 G335 I336 V338 L353Y312-L331 HydrophobicContact CE1-CB 4.29Å; L315-L331 HydrophobicContact CD2-CD1 4.05Å; L321-L331 HydrophobicContact CD2-CD1 4.37Å; L326-L331 HydrophobicContact CB-CD1 4.11Å; L326-L331 HydrophobicContact CD2-CD1 4.37Å; D327-L331 VanDerWaalsContact O-CG 3.27Å; D327-L331 WeakPolarHBondContact O-CG 3.49Å; D327-L331 PolarHBondContact O-N 3.26Å; L328-L331 PolarHBondContact O-N 3.46Å; L331-S334 CarbonylContact O-C 3.53Å; L331-S334 PolarHBondContact O-N 2.91Å; L331-S334 PolarHBondContact O-OG 2.85Å; L331-G335 PolarHBondContact O-N 2.95Å; L331-I336 HydrophobicContact CD2-CB 3.89Å; L331-I336 HydrophobicContact CD2-CG2 3.73Å; L331-I336 PolarHBondContact O-N 3.34Å; L331-V338 HydrophobicContact CD1-CG2 3.56Å; L331-V338 HydrophobicContact CD2-CG2 3.57Å; L331-V338 HydrophobicContact CG-CG2 4.17Å; L331-L353 HydrophobicContact CD2-CD2 4.29Å
332K91.7Very high88.1Confident69 Ų6957.4 Ų57.430%0.329%0.29SS..Hα-helixtrans-61.1-52177.1-177.5173-179.8167.10111.8D309 Y312 L328 K330 S334 G335D309-K332 VanDerWaalsContact CG-NZ 3.32Å; D309-K332 WeakPolarHBondContact OD1-CE 3.05Å; D309-K332 IonicContact OD1-NZ 2.62Å; D309-K332 PolarHBondContact OD1-NZ 2.7Å; D309-K332 IonicContact OD2-NZ 3.45Å; Y312-K332 HydrophobicContact CD1-CB 3.96Å; Y312-K332 HydrophobicContact CD2-CB 4.16Å; Y312-K332 HydrophobicContact CD2-CD 4.41Å; Y312-K332 HydrophobicContact CD2-CG 3.83Å; Y312-K332 HydrophobicContact CE1-CB 4.29Å; Y312-K332 HydrophobicContact CE2-CB 4.46Å; Y312-K332 HydrophobicContact CE2-CG 4.23Å; Y312-K332 HydrophobicContact CG-CB 3.9Å; Y312-K332 HydrophobicContact CG-CD 4.45Å; Y312-K332 HydrophobicContact CG-CG 4Å; L328-K332 WeakPolarHBondContact O-CB 3.47Å; L328-K332 PolarHBondContact O-N 2.87Å; K330-K332 PolarHBondContact O-N 3.2Å; K332-S334 VanDerWaalsContact C-N 3.26Å; K332-S334 PolarHBondContact O-N 3.44Å; K332-G335 PolarHBondContact O-N 3.24Å; K332-G335 VanDerWaalsContact O-N 3.14Å
333T90.7Very high88Confident116 Ų11650.6 Ų50.671%0.71226%0.263SS*.Hα-helixtrans-62.9-35.5-179.4-56.80000112E329 K330E329-T333 VanDerWaalsContact O-CB 3.25Å; E329-T333 WeakPolarHBondContact O-CB 3.38Å; E329-T333 PolarHBondContact O-N 3.45Å; E329-T333 PolarHBondContact O-OG1 3.44Å; K330-T333 PolarHBondContact O-N 2.9Å
334S92.1Very high87.8Confident12 Ų1252.2 Ų52.28%0.08428%0.275CS..THydrogen-bonded Turntrans-87.5-0.7178.963.70000113.8R298 K330 L331 K332 I336 I355R298-S334 VanDerWaalsContact CZ-O 3.22Å; R298-S334 PolarHBondContact NH1-O 3.1Å; R298-S334 PolarHBondContact NH2-O 3.02Å; K330-S334 WeakPolarHBondContact O-CB 3.46Å; K330-S334 PolarHBondContact O-N 2.97Å; K330-S334 PolarHBondContact O-OG 3.24Å; L331-S334 CarbonylContact O-C 3.53Å; L331-S334 PolarHBondContact O-N 2.91Å; L331-S334 PolarHBondContact O-OG 2.85Å; K332-S334 VanDerWaalsContact C-N 3.26Å; K332-S334 PolarHBondContact O-N 3.44Å; S334-I336 PolarHBondContact O-N 3.01Å; S334-I336 WeakPolarHBondContact OG-CD1 3.37Å; S334-I336 VanDerWaalsContact OG-CG1 3.27Å; S334-I336 WeakPolarHBondContact OG-CG1 3.29Å; S334-I355 WeakPolarHBondContact O-CD1 3.45Å
335G91.8Very high88Confident5 Ų558.8 Ų58.85%0.05231%0.306CS..THydrogen-bonded Turntrans65.416.7-179.800000114.7Y312 L331 K332Y312-G335 WeakPolarHBondContact OH-CA 3.27Å; Y312-G335 PolarHBondContact OH-O 3.46Å; L331-G335 PolarHBondContact O-N 2.95Å; K332-G335 PolarHBondContact O-N 3.24Å; K332-G335 VanDerWaalsContact O-N 3.14Å
336I94.4Very high87.6Confident0 Ų055.9 Ų55.90%029%0.293CS..  trans-84.7129.5-173.2-64.7172.2000110I290 I291 A294 Y312 L331 S334 L353 I355I290-I336 HydrophobicContact CB-CD1 4.43Å; I290-I336 HydrophobicContact CD1-CG2 4.24Å; I290-I336 HydrophobicContact CG1-CD1 4.1Å; I290-I336 HydrophobicContact CG2-CD1 3.84Å; I290-I336 HydrophobicContact CG2-CG2 4.28Å; I291-I336 HydrophobicContact CG1-CD1 3.86Å; A294-I336 HydrophobicContact CB-CD1 4.41Å; Y312-I336 WeakPolarHBondContact CE1-O 3.4Å; Y312-I336 PolarHBondContact OH-N 3.14Å; Y312-I336 PolarHBondContact OH-O 3.36Å; L331-I336 HydrophobicContact CD2-CB 3.89Å; L331-I336 HydrophobicContact CD2-CG2 3.73Å; L331-I336 PolarHBondContact O-N 3.34Å; S334-I336 PolarHBondContact O-N 3.01Å; S334-I336 WeakPolarHBondContact OG-CD1 3.37Å; S334-I336 VanDerWaalsContact OG-CG1 3.27Å; S334-I336 WeakPolarHBondContact OG-CG1 3.29Å; I336-L353 HydrophobicContact CG2-CB 3.98Å; I336-L353 HydrophobicContact CG2-CD2 4.28Å; I336-L353 HydrophobicContact CG2-CG 4.47Å; I336-I355 HydrophobicContact CG1-CB 4.21Å; I336-I355 HydrophobicContact CG1-CD1 4.11Å
337L93.8Very high87.4Confident6 Ų659.4 Ų59.43%0.03131%0.312CS..EExtended strand (participates in β ladder)trans-86.3144.7173.4-55.5178.4000109.7A307 Y311 L353 Q354 F356 N384 A387 L388A307-L337 HydrophobicContact CB-CD2 3.68Å; Y311-L337 HydrophobicContact CD1-CD2 3.84Å; Y311-L337 HydrophobicContact CD2-CD2 4.43Å; Y311-L337 HydrophobicContact CE1-CB 4.44Å; Y311-L337 HydrophobicContact CE1-CD2 3.43Å; Y311-L337 VanDerWaalsContact CE1-CD2 3.43Å; Y311-L337 HydrophobicContact CE2-CD2 4.06Å; Y311-L337 HydrophobicContact CG-CD2 4.32Å; Y311-L337 WeakPolarHBondContact OH-CA 3.29Å; L337-L353 CarbonylContact O-C 3.43Å; L337-L353 VanDerWaalsContact O-CA 3.24Å; L337-L353 WeakPolarHBondContact O-CA 3.42Å; L337-Q354 PolarHBondContact N-O 2.99Å; L337-Q354 PolarHBondContact O-N 2.93Å; L337-F356 HydrophobicContact CD1-CD2 4.37Å; L337-F356 HydrophobicContact CD1-CE2 4.18Å; L337-N384 HydrophobicContact CB-CB 4.17Å; L337-N384 WeakPolarHBondContact CB-OD1 3.49Å; L337-N384 HydrophobicContact CD1-CB 4.39Å; L337-A387 HydrophobicContact CD2-CB 4.26Å; L337-L388 HydrophobicContact CD1-CB 3.95Å
338V92Very high86.8Confident4 Ų458 Ų582%0.02430%0.303CS..EExtended strand (participates in β ladder)trans-131.6129.7175.7-166.40000111.5Y311 L315 I319 L326 L331 L352 L353 N384Y311-V338 PolarHBondContact OH-N 3.14Å; Y311-V338 PolarHBondContact OH-O 3.38Å; Y311-V338 VanDerWaalsContact OH-O 3.07Å; L315-V338 HydrophobicContact CD1-CB 4.37Å; L315-V338 HydrophobicContact CD2-CB 4.47Å; L315-V338 HydrophobicContact CD2-CG2 4.45Å; I319-V338 HydrophobicContact CD1-CG1 3.62Å; L326-V338 HydrophobicContact CD1-CG1 3.77Å; L326-V338 HydrophobicContact CD2-CG1 4.48Å; L326-V338 HydrophobicContact CD2-CG2 4.46Å; L331-V338 HydrophobicContact CD1-CG2 3.56Å; L331-V338 HydrophobicContact CD2-CG2 3.57Å; L331-V338 HydrophobicContact CG-CG2 4.17Å; V338-L352 CarbonylContact C-O 3.52Å; V338-L352 WeakPolarHBondContact CA-O 3.46Å; V338-L353 HydrophobicContact CG1-CD1 4.42Å; V338-L353 HydrophobicContact CG1-CG 4.25Å; V338-L353 HydrophobicContact CG2-CD2 4.49Å; V338-L353 HydrophobicContact CG2-CG 4.07Å; V338-N384 PolarHBondContact N-OD1 3.3Å; V338-N384 PolarHBondContact O-OD1 2.95Å; V338-N384 VanDerWaalsContact O-OD1 3.14Å
339D89.1Confident86.4Confident7 Ų759.5 Ų59.54%0.03731%0.311CS..EExtended strand (participates in β ladder)trans-119.8157.5169-155.30.6000110.6S351 L352 G381 E382 N383 N384D339-S351 CarbonylContact O-C 3.56Å; D339-S351 WeakPolarHBondContact O-CA 3.3Å; D339-S351 WeakPolarHBondContact O-CB 3.43Å; D339-L352 PolarHBondContact N-O 3.02Å; D339-L352 PolarHBondContact O-N 3.27Å; D339-G381 WeakPolarHBondContact OD2-CA 3.36Å; D339-E382 PolarHBondContact OD2-N 2.99Å; D339-N383 PolarHBondContact OD1-ND2 3.06Å; D339-N383 WeakPolarHBondContact OD2-CB 3.46Å; D339-N383 PolarHBondContact OD2-N 2.91Å; D339-N383 PolarHBondContact OD2-ND2 2.78Å; D339-N384 HydrophobicContact CB-CB 4.44Å; D339-N384 PolarHBondContact N-ND2 2.91Å; D339-N384 PolarHBondContact N-OD1 2.86Å
340K85.6Confident86.1Confident73 Ų7353.6 Ų53.632%0.31728%0.283SS..EExtended strand (participates in β ladder)trans-100.9142.4172.264179.2178.2-170.90109.9R318 I319 L342 Q348R318-K340 VanDerWaalsContact O-CD 3.23Å; R318-K340 WeakPolarHBondContact O-CD 3.36Å; R318-K340 WeakPolarHBondContact O-CE 3.29Å; R318-K340 PolarHBondContact O-NZ 2.82Å; I319-K340 HydrophobicContact CD1-CB 4.35Å; I319-K340 HydrophobicContact CG1-CB 4.5Å; K340-L342 HydrophobicContact CD-CD2 3.76Å; K340-L342 HydrophobicContact CD-CG 4.46Å; K340-L342 HydrophobicContact CG-CD2 4.08Å; K340-L342 HydrophobicContact CG-CG 4.43Å; K340-Q348 VanDerWaalsContact CB-CD 3.48Å; K340-Q348 HydrophobicContact CB-CG 3.9Å
341E81.9Confident85.9Confident31 Ų3148 Ų4815%0.14526%0.259CS..EExtended strand (participates in β ladder)trans-99.8127.1169-169.3164.3155.400109Q348 I349 G350 S377 T378 G379E341-Q348 CarbonylContact O-C 3.51Å; E341-Q348 WeakPolarHBondContact O-CA 3.5Å; E341-I349 HydrophobicContact CB-CG1 4.19Å; E341-I349 HydrophobicContact CG-CD1 4.1Å; E341-I349 HydrophobicContact CG-CG1 4.02Å; E341-I349 WeakPolarHBondContact O-CG1 3.21Å; E341-I349 PolarHBondContact O-N 2.78Å; E341-G350 PolarHBondContact N-O 3.44Å; E341-G350 PolarHBondContact O-N 2.99Å; E341-S377 VanDerWaalsContact OE2-C 3.27Å; E341-S377 WeakPolarHBondContact OE2-CA 3.44Å; E341-S377 WeakPolarHBondContact OE2-CB 3.41Å; E341-S377 PolarHBondContact OE2-OG 2.83Å; E341-T378 VanDerWaalsContact CD-N 3.33Å; E341-T378 PolarHBondContact OE1-N 2.94Å; E341-T378 PolarHBondContact OE1-OG1 3.23Å; E341-T378 VanDerWaalsContact OE1-OG1 3.12Å; E341-T378 PolarHBondContact OE2-N 2.98Å; E341-G379 VanDerWaalsContact CD-N 3.31Å; E341-G379 PolarHBondContact OE1-N 2.99Å; E341-G379 PolarHBondContact OE2-N 2.83Å
342L81.2Confident85.8Confident75 Ų7548 Ų4839%0.39326%0.259SS..EExtended strand (participates in β ladder)trans-104.8144.9179.6-56.7-177.4000110.2K340 N347 Q348K340-L342 HydrophobicContact CD-CD2 3.76Å; K340-L342 HydrophobicContact CD-CG 4.46Å; K340-L342 HydrophobicContact CG-CD2 4.08Å; K340-L342 HydrophobicContact CG-CG 4.43Å; L342-N347 CarbonylContact C-O 3.6Å; L342-N347 VanDerWaalsContact CA-O 3.28Å; L342-N347 WeakPolarHBondContact CA-O 3.41Å; L342-Q348 HydrophobicContact CD2-CB 4.06Å
343N79.2Confident86Confident46 Ų4644.8 Ų44.825%0.24625%0.245CC..  trans-77.9177.9162.974.11000111E345 G346 N347 I349N343-E345 PolarHBondContact ND2-OE2 3.14Å; N343-E345 PolarHBondContact O-N 2.95Å; N343-E345 VanDerWaalsContact O-N 3.07Å; N343-E345 WeakPolarHBondContact OD1-CA 3.28Å; N343-E345 WeakPolarHBondContact OD1-CB 3.5Å; N343-E345 PolarHBondContact OD1-N 2.9Å; N343-G346 PolarHBondContact O-N 2.79Å; N343-G346 PolarHBondContact OD1-N 2.97Å; N343-G346 VanDerWaalsContact OD1-N 3.14Å; N343-N347 PolarHBondContact N-O 2.79Å; N343-N347 WeakPolarHBondContact OD1-CB 3.43Å; N343-N347 PolarHBondContact OD1-N 3.03Å; N343-N347 PolarHBondContact OD1-O 2.91Å; N343-I349 HydrophobicContact CB-CG2 3.77Å
344N75.9Confident86.2Confident155 Ų15539.5 Ų39.583%0.82921%0.212SC*.THydrogen-bonded Turntrans-61.5-16.5178.1-66-19.3000114.3
345E80.1Confident86.3Confident151 Ų15139 Ų3971%0.70621%0.208SC*.THydrogen-bonded Turntrans-91.4-1.6177.2-55.3169.4157.400112.1N343 N347N343-E345 PolarHBondContact ND2-OE2 3.14Å; N343-E345 PolarHBondContact O-N 2.95Å; N343-E345 VanDerWaalsContact O-N 3.07Å; N343-E345 WeakPolarHBondContact OD1-CA 3.28Å; N343-E345 WeakPolarHBondContact OD1-CB 3.5Å; N343-E345 PolarHBondContact OD1-N 2.9Å; E345-N347 VanDerWaalsContact C-N 3.33Å; E345-N347 PolarHBondContact OE2-ND2 3.41Å; E345-N347 VanDerWaalsContact OE2-ND2 3.15Å
346G77.3Confident86.5Confident45 Ų4539 Ų3946%0.46421%0.207SC..SBendtrans81.68-176.800000114.4N343N343-G346 PolarHBondContact O-N 2.79Å; N343-G346 PolarHBondContact OD1-N 2.97Å; N343-G346 VanDerWaalsContact OD1-N 3.14Å
347N79.6Confident86.4Confident92 Ų9239 Ų3949%0.49221%0.207SC..  trans-81.8134.9177.3-65.8-46.2000110.3L342 N343 E345 I349L342-N347 CarbonylContact C-O 3.6Å; L342-N347 VanDerWaalsContact CA-O 3.28Å; L342-N347 WeakPolarHBondContact CA-O 3.41Å; N343-N347 PolarHBondContact N-O 2.79Å; N343-N347 WeakPolarHBondContact OD1-CB 3.43Å; N343-N347 PolarHBondContact OD1-N 3.03Å; N343-N347 PolarHBondContact OD1-O 2.91Å; E345-N347 VanDerWaalsContact C-N 3.33Å; E345-N347 PolarHBondContact OE2-ND2 3.41Å; E345-N347 VanDerWaalsContact OE2-ND2 3.15Å; N347-I349 PolarHBondContact O-N 2.81Å
348Q79Confident86.3Confident42 Ų4242.7 Ų42.720%0.19622%0.224CC..EExtended strand (participates in β ladder)trans-68.6118.3175.9-174.7172.2-900109.9F324 K340 E341 L342 G350F324-Q348 HydrophobicContact CE1-CG 4.08Å; F324-Q348 HydrophobicContact CE2-CB 4.42Å; F324-Q348 HydrophobicContact CE2-CG 3.83Å; F324-Q348 HydrophobicContact CZ-CB 4.1Å; F324-Q348 HydrophobicContact CZ-CG 3.4Å; F324-Q348 VanDerWaalsContact CZ-CG 3.4Å; K340-Q348 VanDerWaalsContact CB-CD 3.48Å; K340-Q348 HydrophobicContact CB-CG 3.9Å; E341-Q348 CarbonylContact O-C 3.51Å; E341-Q348 WeakPolarHBondContact O-CA 3.5Å; L342-Q348 HydrophobicContact CD2-CB 4.06Å; Q348-G350 VanDerWaalsContact CG-O 3.31Å; Q348-G350 WeakPolarHBondContact CG-O 3.2Å; Q348-G350 PolarHBondContact NE2-O 2.88Å
349I82.7Confident86.2Confident78 Ų7846.2 Ų46.240%0.425%0.247SC..EExtended strand (participates in β ladder)trans-99.9-25.3176.956.1170.9000112E341 N343 N347 N375E341-I349 HydrophobicContact CB-CG1 4.19Å; E341-I349 HydrophobicContact CG-CD1 4.1Å; E341-I349 HydrophobicContact CG-CG1 4.02Å; E341-I349 WeakPolarHBondContact O-CG1 3.21Å; E341-I349 PolarHBondContact O-N 2.78Å; N343-I349 HydrophobicContact CB-CG2 3.77Å; N347-I349 PolarHBondContact O-N 2.81Å; I349-N375 VanDerWaalsContact O-CB 3.29Å; I349-N375 WeakPolarHBondContact O-CB 3.29Å
350G84.8Confident86.2Confident0 Ų047.8 Ų47.80%026%0.255CS..EExtended strand (participates in β ladder)trans-163.5-169.7176.800000114.3E341 Q348E341-G350 PolarHBondContact N-O 3.44Å; E341-G350 PolarHBondContact O-N 2.99Å; Q348-G350 VanDerWaalsContact CG-O 3.31Å; Q348-G350 WeakPolarHBondContact CG-O 3.2Å; Q348-G350 PolarHBondContact NE2-O 2.88Å
351S88.2Confident86Confident0 Ų045 Ų450%024%0.243CC..EExtended strand (participates in β ladder)trans-143150.8175.856.30000111.3D339 R374D339-S351 CarbonylContact O-C 3.56Å; D339-S351 WeakPolarHBondContact O-CA 3.3Å; D339-S351 WeakPolarHBondContact O-CB 3.43Å; S351-R374 PolarHBondContact N-O 2.76Å; S351-R374 PolarHBondContact O-N 2.88Å; S351-R374 WeakPolarHBondContact OG-CB 3.4Å
352L91.6Very high85.3Confident2 Ų252.8 Ų52.81%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-119.5118.5179.8-165.365.3000108.8V338 D339 Q354 I371 R373 F380 N384V338-L352 CarbonylContact C-O 3.52Å; V338-L352 WeakPolarHBondContact CA-O 3.46Å; D339-L352 PolarHBondContact N-O 3.02Å; D339-L352 PolarHBondContact O-N 3.27Å; L352-Q354 HydrophobicContact CD2-CG 4.31Å; L352-Q354 HydrophobicContact CG-CG 4.08Å; L352-I371 HydrophobicContact CD1-CD1 3.69Å; L352-I371 HydrophobicContact CD1-CG1 3.65Å; L352-I371 HydrophobicContact CD2-CD1 4.16Å; L352-I371 HydrophobicContact CG-CD1 4.16Å; L352-I371 HydrophobicContact CG-CG1 4.2Å; L352-R373 HydrophobicContact CD1-CB 4.31Å; L352-R373 HydrophobicContact CD1-CG 3.42Å; L352-R373 VanDerWaalsContact CD1-CG 3.42Å; L352-F380 WeakPolarHBondContact CD2-O 3.49Å; L352-N384 PolarHBondContact O-ND2 3.36Å; L352-N384 VanDerWaalsContact O-ND2 3.11Å
353L94.3Very high84.6Confident0 Ų055.7 Ų55.70%029%0.289CS..EExtended strand (participates in β ladder)trans-105.5131.2175.7-65.276.3000108.7I290 L326 L331 I336 L337 V338 I371 E372 R374I290-L353 HydrophobicContact CD1-CB 4.11Å; I290-L353 WeakPolarHBondContact CD1-O 3.39Å; I290-L353 HydrophobicContact CG2-CB 3.88Å; I290-L353 HydrophobicContact CG2-CD2 3.67Å; I290-L353 HydrophobicContact CG2-CG 4.44Å; L326-L353 HydrophobicContact CD2-CD1 4.39Å; L326-L353 HydrophobicContact CD2-CD2 3.9Å; L326-L353 HydrophobicContact CD2-CG 4.4Å; L331-L353 HydrophobicContact CD2-CD2 4.29Å; I336-L353 HydrophobicContact CG2-CB 3.98Å; I336-L353 HydrophobicContact CG2-CD2 4.28Å; I336-L353 HydrophobicContact CG2-CG 4.47Å; L337-L353 CarbonylContact O-C 3.43Å; L337-L353 VanDerWaalsContact O-CA 3.24Å; L337-L353 WeakPolarHBondContact O-CA 3.42Å; V338-L353 HydrophobicContact CG1-CD1 4.42Å; V338-L353 HydrophobicContact CG1-CG 4.25Å; V338-L353 HydrophobicContact CG2-CD2 4.49Å; V338-L353 HydrophobicContact CG2-CG 4.07Å; L353-I371 CarbonylContact O-C 3.52Å; L353-I371 WeakPolarHBondContact O-CA 3.25Å; L353-E372 HydrophobicContact CB-CB 4.28Å; L353-E372 PolarHBondContact N-O 3.25Å; L353-E372 PolarHBondContact O-N 3.01Å; L353-R374 HydrophobicContact CD1-CG 3.99Å
354Q95.7Very high83.9Confident5 Ų553.8 Ų53.82%0.02328%0.279CS..EExtended strand (participates in β ladder)trans-138.8145.9-174.5-67.5169.4-76.500111.1L337 L352 F356 E369 L370 I371 N384L337-Q354 PolarHBondContact N-O 2.99Å; L337-Q354 PolarHBondContact O-N 2.93Å; L352-Q354 HydrophobicContact CD2-CG 4.31Å; L352-Q354 HydrophobicContact CG-CG 4.08Å; Q354-F356 HydrophobicContact CB-CE2 3.84Å; Q354-F356 HydrophobicContact CB-CZ 4.26Å; Q354-E369 VanDerWaalsContact CG-OE1 3.27Å; Q354-E369 WeakPolarHBondContact CG-OE1 3.41Å; Q354-E369 PolarHBondContact NE2-OE1 2.88Å; Q354-L370 WeakPolarHBondContact CA-O 3.19Å; Q354-I371 HydrophobicContact CG-CB 4.33Å; Q354-I371 HydrophobicContact CG-CD1 4.15Å; Q354-I371 HydrophobicContact CG-CG1 3.86Å; Q354-N384 PolarHBondContact OE1-ND2 2.95Å
355I95Very high84.3Confident1 Ų147.1 Ų47.11%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-147.7141.8168-166.8179.6000109.8I290 A294 F304 S334 I336 E369 L370I290-I355 HydrophobicContact CD1-CG2 4.09Å; I290-I355 HydrophobicContact CG1-CG2 4.2Å; A294-I355 HydrophobicContact CB-CD1 4.29Å; A294-I355 HydrophobicContact CB-CG2 4.38Å; F304-I355 HydrophobicContact CB-CD1 3.78Å; F304-I355 HydrophobicContact CB-CG1 4.07Å; F304-I355 HydrophobicContact CD1-CB 4.33Å; F304-I355 HydrophobicContact CD1-CD1 3.49Å; F304-I355 VanDerWaalsContact CD1-CD1 3.49Å; F304-I355 HydrophobicContact CD1-CG1 3.5Å; F304-I355 VanDerWaalsContact CD1-CG1 3.5Å; F304-I355 HydrophobicContact CD1-CG2 4.1Å; F304-I355 HydrophobicContact CD2-CD1 4.06Å; F304-I355 HydrophobicContact CE1-CD1 3.99Å; F304-I355 HydrophobicContact CE1-CG1 4.1Å; F304-I355 HydrophobicContact CE1-CG2 3.79Å; F304-I355 HydrophobicContact CG-CD1 3.5Å; F304-I355 HydrophobicContact CG-CG1 3.94Å; F304-I355 HydrophobicContact CZ-CD1 4.47Å; S334-I355 WeakPolarHBondContact O-CD1 3.45Å; I336-I355 HydrophobicContact CG1-CB 4.21Å; I336-I355 HydrophobicContact CG1-CD1 4.11Å; I355-E369 WeakPolarHBondContact O-CA 3.5Å; I355-L370 HydrophobicContact CG2-CB 3.83Å; I355-L370 HydrophobicContact CG2-CD1 4.08Å; I355-L370 HydrophobicContact CG2-CG 4.13Å; I355-L370 PolarHBondContact N-O 3.26Å; I355-L370 PolarHBondContact O-N 3Å
356F94.1Very high84.9Confident7 Ų740 Ų403%0.03121%0.213CC..EExtended strand (participates in β ladder)trans-118.2132.8-170.4-62.6-92.3000110.4F304 I305 L337 Q354 F367 E369 L388F304-F356 WeakPolarHBondContact CA-O 3.29Å; F304-F356 WeakPolarHBondContact CD1-O 3.4Å; I305-F356 HydrophobicContact CD1-CB 3.82Å; I305-F356 PolarHBondContact N-O 3.34Å; L337-F356 HydrophobicContact CD1-CD2 4.37Å; L337-F356 HydrophobicContact CD1-CE2 4.18Å; Q354-F356 HydrophobicContact CB-CE2 3.84Å; Q354-F356 HydrophobicContact CB-CZ 4.26Å; F356-F367 HydrophobicContact CD1-CD2 4.21Å; F356-F367 AromaticContact CD1-CE2 3.7Å; F356-F367 HydrophobicContact CD1-CE2 3.7Å; F356-F367 HydrophobicContact CE1-CE2 4.38Å; F356-E369 HydrophobicContact CD1-CB 3.71Å; F356-E369 HydrophobicContact CD1-CG 3.87Å; F356-E369 HydrophobicContact CE1-CB 3.69Å; F356-E369 HydrophobicContact CE1-CG 3.52Å; F356-E369 WeakPolarHBondContact CE1-OE2 3.38Å; F356-E369 HydrophobicContact CE2-CG 4.41Å; F356-E369 HydrophobicContact CZ-CB 4.46Å; F356-E369 VanDerWaalsContact CZ-CD 3.42Å; F356-E369 HydrophobicContact CZ-CG 3.79Å; F356-E369 WeakPolarHBondContact CZ-OE2 2.97Å; F356-L388 HydrophobicContact CB-CD1 3.75Å; F356-L388 HydrophobicContact CD1-CD1 4.37Å; F356-L388 HydrophobicContact CD1-CD2 3.6Å; F356-L388 HydrophobicContact CD2-CB 4.33Å; F356-L388 HydrophobicContact CD2-CD1 3.36Å; F356-L388 HydrophobicContact CD2-CD2 3.57Å; F356-L388 HydrophobicContact CD2-CG 3.89Å; F356-L388 HydrophobicContact CE1-CD2 3.48Å; F356-L388 VanDerWaalsContact CE1-CD2 3.48Å; F356-L388 HydrophobicContact CE2-CB 4.2Å; F356-L388 HydrophobicContact CE2-CD1 4.06Å; F356-L388 HydrophobicContact CE2-CD2 3.5Å; F356-L388 HydrophobicContact CE2-CG 4.09Å; F356-L388 HydrophobicContact CG-CD1 3.55Å; F356-L388 HydrophobicContact CG-CD2 3.62Å; F356-L388 HydrophobicContact CG-CG 4.16Å; F356-L388 HydrophobicContact CZ-CD2 3.45Å; F356-L388 VanDerWaalsContact CZ-CD2 3.45Å; F356-L388 HydrophobicContact CZ-CG 4.5Å
357T94.3Very high85.7Confident0 Ų038.1 Ų38.10%019%0.192CC..BIsolated β-bridgetrans-73.9157.4176.572.20000110.8F28 I302 K303 F304 I305 F367 M368F28-T357 HydrophobicContact CE1-CG2 4.05Å; F28-T357 HydrophobicContact CZ-CG2 3.9Å; I302-T357 HydrophobicContact CG2-CG2 3.54Å; K303-T357 CarbonylContact O-C 3.51Å; K303-T357 VanDerWaalsContact O-CA 3.26Å; K303-T357 WeakPolarHBondContact O-CA 3.21Å; K303-T357 WeakPolarHBondContact O-CB 3.36Å; F304-T357 HydrophobicContact CD1-CG2 3.92Å; F304-T357 HydrophobicContact CE1-CG2 3.67Å; F304-T357 HydrophobicContact CZ-CG2 4.4Å; I305-T357 VanDerWaalsContact CD1-O 3.29Å; I305-T357 WeakPolarHBondContact CD1-O 3.27Å; T357-F367 WeakPolarHBondContact O-CB 3.19Å; T357-M368 HydrophobicContact CG2-CB 4.08Å; T357-M368 PolarHBondContact N-O 3.03Å; T357-M368 PolarHBondContact OG1-N 2.85Å; T357-M368 PolarHBondContact OG1-O 2.79Å
358E91.1Very high86.4Confident82 Ų8233.7 Ų33.738%0.38317%0.169SC..PPolyproline II helixtrans-60161.4154.4-67.6-179.1-172.600109.6K303 L360K303-E358 HydrophobicContact CB-CB 4.17Å; K303-E358 HydrophobicContact CB-CG 3.95Å; K303-E358 WeakPolarHBondContact CD-OE2 3.26Å; K303-E358 PolarHBondContact O-N 3.41Å; E358-L360 PolarHBondContact O-N 2.99Å
359P90.1Very high87.3Confident78 Ų7831.9 Ų31.951%0.50616%0.16SC..PPolyproline II helixtrans-52.7128.5174.5-27.735.8000112F366P359-F366 CarbonylContact C-O 3.47Å; P359-F366 VanDerWaalsContact CA-O 3.26Å; P359-F366 WeakPolarHBondContact CA-O 3.46Å
360L88.9Confident88Confident40 Ų4028.1 Ų28.121%0.20914%0.141CC..SBendtrans-76.8-29.4-175.1-67.5-175.4000112.9F28 I302 E358 F366 M368F28-L360 HydrophobicContact CE2-CD1 3.74Å; F28-L360 HydrophobicContact CE2-CD2 4.09Å; F28-L360 HydrophobicContact CZ-CD1 3.86Å; F28-L360 HydrophobicContact CZ-CD2 4.02Å; I302-L360 HydrophobicContact CD1-CD2 4.27Å; E358-L360 PolarHBondContact O-N 2.99Å; L360-F366 HydrophobicContact CD1-CE1 4.34Å; L360-F366 PolarHBondContact N-O 2.97Å; L360-M368 HydrophobicContact CD1-CG 3.46Å; L360-M368 VanDerWaalsContact CD1-CG 3.46Å; L360-M368 HydrophobicContact CG-CG 4.39Å
361F81.4Confident88.5Confident15 Ų1528.2 Ų28.27%0.06614%0.141CC..SBendtrans-120136.9-177.4-48.1-67000109.8F12 T20 D82 K363 F366F12-F361 AromaticContact CD1-CE2 3.9Å; F12-F361 HydrophobicContact CD1-CE2 3.9Å; F12-F361 HydrophobicContact CD1-CZ 4.12Å; F12-F361 AromaticContact CE1-CE2 3.87Å; F12-F361 HydrophobicContact CE1-CE2 3.87Å; F12-F361 HydrophobicContact CE1-CZ 4.3Å; T20-F361 HydrophobicContact CG2-CE1 3.77Å; T20-F361 HydrophobicContact CG2-CZ 3.81Å; D82-F361 HydrophobicContact CB-CB 4.29Å; D82-F361 WeakPolarHBondContact O-CB 3.49Å; D82-F361 WeakPolarHBondContact O-CD2 3.2Å; D82-F361 WeakPolarHBondContact O-CG 3.3Å; F361-K363 PolarHBondContact O-N 3.31Å; F361-F366 HydrophobicContact CD2-CB 4.41Å; F361-F366 HydrophobicContact CD2-CD1 4.03Å; F361-F366 AromaticContact CE2-CD1 3.71Å; F361-F366 HydrophobicContact CE2-CD1 3.71Å; F361-F366 HydrophobicContact CE2-CE1 4.26Å
362Q66.9Low88.8Confident195 Ų19528.9 Ų28.991%0.91115%0.145SC*.THydrogen-bonded Turntrans-60-25.2-171.5-71.2-176-8.300114.4
363K65.5Low88.9Confident136 Ų13629.5 Ų29.559%0.59115%0.147SC*.THydrogen-bonded Turntrans-1191.4-166.8-74.1-163.3176.3-172.90116.1V274 F361V274-K363 WeakPolarHBondContact CG1-O 3.2Å; F361-K363 PolarHBondContact O-N 3.31Å
364D65.7Low88.6Confident6 Ų631.9 Ų31.93%0.03216%0.156CC..THydrogen-bonded Turntrans-124.3-4.2-169.1-73.341.3000113R81 D82 G83 F271 F366R81-D364 IonicContact CZ-OD2 2.81Å; R81-D364 IonicContact NE-OD2 3.45Å; R81-D364 PolarHBondContact NE-OD2 3.33Å; R81-D364 IonicContact NH2-OD2 3.46Å; R81-D364 PolarHBondContact NH2-OD2 2.91Å; D82-D364 VanDerWaalsContact C-CG 3.45Å; D82-D364 PolarHBondContact N-OD1 2.7Å; D82-D364 PolarHBondContact N-OD2 3.34Å; D82-D364 VanDerWaalsContact N-OD2 3.09Å; D82-D364 VanDerWaalsContact O-CB 3.24Å; D82-D364 WeakPolarHBondContact O-CB 3.43Å; G83-D364 PolarHBondContact N-OD2 3.01Å; F271-D364 VanDerWaalsContact CE2-O 3.29Å; F271-D364 WeakPolarHBondContact CE2-O 3.42Å; D364-F366 PolarHBondContact O-N 3.28Å
365G83.9Confident88Confident15 Ų1536.4 Ų36.416%0.15518%0.18CC..  trans65.4-5178.500000114.9
366F92.7Very high87.1Confident1 Ų144.2 Ų44.20%0.00422%0.216CC..  trans-66.3133.8-178.1175.8-97.1000112.3F12 P84 L280 Q281 M283 P359 L360 F361 D364 M368F12-F366 HydrophobicContact CE1-CD1 4.03Å; F12-F366 AromaticContact CE1-CE1 3.53Å; F12-F366 HydrophobicContact CE1-CE1 3.53Å; F12-F366 AromaticContact CE1-CZ 3.85Å; F12-F366 HydrophobicContact CE1-CZ 3.85Å; F12-F366 AromaticContact CZ-CE1 3.8Å; F12-F366 HydrophobicContact CZ-CE1 3.8Å; F12-F366 HydrophobicContact CZ-CE2 4.47Å; F12-F366 AromaticContact CZ-CZ 3.67Å; F12-F366 HydrophobicContact CZ-CZ 3.67Å; P84-F366 HydrophobicContact CG-CD2 3.48Å; P84-F366 VanDerWaalsContact CG-CD2 3.48Å; P84-F366 HydrophobicContact CG-CE2 3.75Å; P84-F366 HydrophobicContact CG-CG 3.96Å; P84-F366 HydrophobicContact CG-CZ 4.41Å; L280-F366 HydrophobicContact CD2-CD2 3.85Å; L280-F366 HydrophobicContact CD2-CE2 3.46Å; L280-F366 VanDerWaalsContact CD2-CE2 3.46Å; Q281-F366 VanDerWaalsContact O-CA 3.31Å; Q281-F366 WeakPolarHBondContact O-CA 3.41Å; Q281-F366 VanDerWaalsContact O-CD2 3.26Å; Q281-F366 WeakPolarHBondContact O-CD2 3.36Å; M283-F366 HydrophobicContact CB-CZ 4.38Å; M283-F366 HydrophobicContact CG-CE2 4.01Å; M283-F366 HydrophobicContact CG-CZ 3.98Å; M283-F366 HydrophobicContact SD-CZ 4.18Å; P359-F366 CarbonylContact C-O 3.47Å; P359-F366 VanDerWaalsContact CA-O 3.26Å; P359-F366 WeakPolarHBondContact CA-O 3.46Å; L360-F366 HydrophobicContact CD1-CE1 4.34Å; L360-F366 PolarHBondContact N-O 2.97Å; F361-F366 HydrophobicContact CD2-CB 4.41Å; F361-F366 HydrophobicContact CD2-CD1 4.03Å; F361-F366 AromaticContact CE2-CD1 3.71Å; F361-F366 HydrophobicContact CE2-CD1 3.71Å; F361-F366 HydrophobicContact CE2-CE1 4.26Å; D364-F366 PolarHBondContact O-N 3.28Å; F366-M368 HydrophobicContact CE1-CG 4.14Å; F366-M368 HydrophobicContact CE1-SD 3.47Å; F366-M368 WeakPolarHBondContact CE1-SD 3.28Å; F366-M368 HydrophobicContact CE2-SD 4.43Å; F366-M368 HydrophobicContact CZ-CG 4.44Å; F366-M368 HydrophobicContact CZ-SD 3.29Å; F366-M368 WeakPolarHBondContact CZ-SD 3.23Å
367F93.8Very high86.4Confident5 Ų543.9 Ų43.92%0.02222%0.215CC..EExtended strand (participates in β ladder)trans-134172175.260.6-87.7000111.2Q267 Q281 H282 F356 T357Q267-F367 VanDerWaalsContact NE2-CE1 3.3Å; Q281-F367 HydrophobicContact CG-CD1 4.49Å; Q281-F367 HydrophobicContact CG-CE1 3.66Å; Q281-F367 HydrophobicContact CG-CZ 4.25Å; Q281-F367 PolarHBondContact O-N 2.85Å; H282-F367 WeakPolarHBondContact CA-O 3.39Å; H282-F367 HydrophobicContact CB-CD1 4.22Å; H282-F367 HydrophobicContact CB-CD2 3.5Å; H282-F367 VanDerWaalsContact CB-CD2 3.5Å; H282-F367 HydrophobicContact CB-CE1 4.08Å; H282-F367 HydrophobicContact CB-CE2 3.3Å; H282-F367 HydrophobicContact CB-CG 3.96Å; H282-F367 HydrophobicContact CB-CZ 3.64Å; H282-F367 WeakPolarHBondContact CB-O 3.24Å; H282-F367 AromaticContact CG-CE2 3.37Å; H282-F367 AromaticContact CG-CZ 3.61Å; H282-F367 AromaticContact ND1-CE2 3.42Å; H282-F367 WeakPolarHBondContact ND1-CE2 3.5Å; H282-F367 AromaticContact ND1-CZ 3.19Å; H282-F367 WeakPolarHBondContact ND1-CZ 3.4Å; F356-F367 HydrophobicContact CD1-CD2 4.21Å; F356-F367 AromaticContact CD1-CE2 3.7Å; F356-F367 HydrophobicContact CD1-CE2 3.7Å; F356-F367 HydrophobicContact CE1-CE2 4.38Å; T357-F367 WeakPolarHBondContact O-CB 3.19Å
368M95.7Very high85.7Confident0 Ų045.9 Ų45.90%023%0.228CC..EExtended strand (participates in β ladder)trans-114.6151.2176.8-61.5-65.9-76.500110.2F28 M283 L285 T357 L360 F366F28-M368 HydrophobicContact CD1-CB 4.48Å; F28-M368 HydrophobicContact CE1-CB 3.54Å; F28-M368 HydrophobicContact CE1-CG 3.8Å; F28-M368 HydrophobicContact CE2-CG 4.32Å; F28-M368 HydrophobicContact CZ-CB 3.74Å; F28-M368 HydrophobicContact CZ-CG 3.64Å; M283-M368 HydrophobicContact CB-CE 4.04Å; M283-M368 HydrophobicContact CB-SD 3.92Å; L285-M368 HydrophobicContact CD1-CE 3.31Å; L285-M368 HydrophobicContact CD2-CE 3.75Å; L285-M368 HydrophobicContact CG-CE 3.55Å; T357-M368 HydrophobicContact CG2-CB 4.08Å; T357-M368 PolarHBondContact N-O 3.03Å; T357-M368 PolarHBondContact OG1-N 2.85Å; T357-M368 PolarHBondContact OG1-O 2.79Å; L360-M368 HydrophobicContact CD1-CG 3.46Å; L360-M368 VanDerWaalsContact CD1-CG 3.46Å; L360-M368 HydrophobicContact CG-CG 4.39Å; F366-M368 HydrophobicContact CE1-CG 4.14Å; F366-M368 HydrophobicContact CE1-SD 3.47Å; F366-M368 WeakPolarHBondContact CE1-SD 3.28Å; F366-M368 HydrophobicContact CE2-SD 4.43Å; F366-M368 HydrophobicContact CZ-CG 4.44Å; F366-M368 HydrophobicContact CZ-SD 3.29Å; F366-M368 WeakPolarHBondContact CZ-SD 3.23Å
369E96.1Very high85.1Confident3 Ų342.9 Ų42.91%0.01422%0.218CC..EExtended strand (participates in β ladder)trans-116.5135.7169174.3-171.1158.100109H185 H282 M283 G284 L285 Q354 I355 F356 I371H185-E369 IonicContact CE1-OE1 3.78Å; H185-E369 IonicContact CE1-OE2 3.37Å; H185-E369 PolarHBondContact CE1-OE2 3.39Å; H185-E369 IonicContact NE2-OE2 3.97Å; H185-E369 PolarHBondContact NE2-OE2 3.5Å; H185-E369 VanDerWaalsContact NE2-OE2 3.08Å; H282-E369 IonicContact CD2-OE2 3.71Å; H282-E369 IonicContact NE2-OE2 2.7Å; M283-E369 PolarHBondContact O-N 2.83Å; G284-E369 CarbonylContact C-O 3.58Å; L285-E369 PolarHBondContact N-O 3.19Å; Q354-E369 VanDerWaalsContact CG-OE1 3.27Å; Q354-E369 WeakPolarHBondContact CG-OE1 3.41Å; Q354-E369 PolarHBondContact NE2-OE1 2.88Å; I355-E369 WeakPolarHBondContact O-CA 3.5Å; F356-E369 HydrophobicContact CD1-CB 3.71Å; F356-E369 HydrophobicContact CD1-CG 3.87Å; F356-E369 HydrophobicContact CE1-CB 3.69Å; F356-E369 HydrophobicContact CE1-CG 3.52Å; F356-E369 WeakPolarHBondContact CE1-OE2 3.38Å; F356-E369 HydrophobicContact CE2-CG 4.41Å; F356-E369 HydrophobicContact CZ-CB 4.46Å; F356-E369 VanDerWaalsContact CZ-CD 3.42Å; F356-E369 HydrophobicContact CZ-CG 3.79Å; F356-E369 WeakPolarHBondContact CZ-OE2 2.97Å; E369-I371 HydrophobicContact CG-CB 4.49Å
370L97.3Very high84.8Confident0 Ų039.8 Ų39.80%020%0.197CC..EExtended strand (participates in β ladder)trans-99131163.4-49-179.4000108.1F28 L285 I287 I290 A293 A294 F304 Q354 I355F28-L370 HydrophobicContact CD1-CD2 4.15Å; F28-L370 HydrophobicContact CE1-CD2 4.33Å; L285-L370 HydrophobicContact CB-CD2 4.25Å; L285-L370 HydrophobicContact CD1-CD2 4.26Å; I287-L370 HydrophobicContact CD1-CD2 4.36Å; I287-L370 HydrophobicContact CG1-CB 4.01Å; I287-L370 HydrophobicContact CG1-CD2 4.32Å; I290-L370 HydrophobicContact CD1-CB 4.28Å; I290-L370 VanDerWaalsContact CD1-O 3.32Å; I290-L370 WeakPolarHBondContact CD1-O 3.1Å; I290-L370 HydrophobicContact CG1-CB 4.21Å; A293-L370 HydrophobicContact CB-CD1 4.22Å; A294-L370 HydrophobicContact CB-CD1 4.49Å; F304-L370 HydrophobicContact CE1-CD1 4.21Å; F304-L370 HydrophobicContact CE1-CG 4.48Å; F304-L370 HydrophobicContact CZ-CD1 4.07Å; Q354-L370 WeakPolarHBondContact CA-O 3.19Å; I355-L370 HydrophobicContact CG2-CB 3.83Å; I355-L370 HydrophobicContact CG2-CD1 4.08Å; I355-L370 HydrophobicContact CG2-CG 4.13Å; I355-L370 PolarHBondContact N-O 3.26Å; I355-L370 PolarHBondContact O-N 3Å
371I96.3Very high84.3Confident1 Ų138.3 Ų38.31%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-132.4126.6-175.6-173.9171.4000111.2D184 L285 A286 I287 L352 L353 Q354 E369 R373D184-I371 HydrophobicContact CB-CG2 3.61Å; L285-I371 WeakPolarHBondContact O-CG2 3Å; L285-I371 PolarHBondContact O-N 2.78Å; A286-I371 CarbonylContact C-O 3.59Å; A286-I371 WeakPolarHBondContact CA-O 3.27Å; I287-I371 PolarHBondContact N-O 2.95Å; L352-I371 HydrophobicContact CD1-CD1 3.69Å; L352-I371 HydrophobicContact CD1-CG1 3.65Å; L352-I371 HydrophobicContact CD2-CD1 4.16Å; L352-I371 HydrophobicContact CG-CD1 4.16Å; L352-I371 HydrophobicContact CG-CG1 4.2Å; L353-I371 CarbonylContact O-C 3.52Å; L353-I371 WeakPolarHBondContact O-CA 3.25Å; Q354-I371 HydrophobicContact CG-CB 4.33Å; Q354-I371 HydrophobicContact CG-CD1 4.15Å; Q354-I371 HydrophobicContact CG-CG1 3.86Å; E369-I371 HydrophobicContact CG-CB 4.49Å; I371-R373 HydrophobicContact CG1-CG 4.47Å
372E95.1Very high84.2Confident14 Ų1440.4 Ų40.47%0.06520%0.201CC..EExtended strand (participates in β ladder)trans-115.4118.4172.6178.5-174.7144.400109.7I287 N289 I290 L353 R374I287-E372 WeakPolarHBondContact O-CA 3.31Å; I287-E372 WeakPolarHBondContact O-CB 3.43Å; I287-E372 WeakPolarHBondContact O-CG 3.39Å; N289-E372 WeakPolarHBondContact CA-OE2 3.3Å; I290-E372 HydrophobicContact CB-CB 3.94Å; I290-E372 HydrophobicContact CG2-CB 4.15Å; I290-E372 VanDerWaalsContact CG2-OE2 3.26Å; I290-E372 WeakPolarHBondContact CG2-OE2 3.48Å; I290-E372 PolarHBondContact N-OE2 2.8Å; L353-E372 HydrophobicContact CB-CB 4.28Å; L353-E372 PolarHBondContact N-O 3.25Å; L353-E372 PolarHBondContact O-N 3.01Å; E372-R374 HydrophobicContact CG-CG 4.31Å; E372-R374 IonicContact OE1-CZ 3.99Å; E372-R374 IonicContact OE1-NE 3.76Å; E372-R374 PolarHBondContact OE1-NE 3.05Å; E372-R374 IonicContact OE1-NH2 2.89Å; E372-R374 PolarHBondContact OE1-NH2 3.11Å; E372-R374 IonicContact OE2-NH2 3.65Å
373R92.3Very high84.8Confident16 Ų1633.1 Ų33.16%0.0617%0.169CC..EExtended strand (participates in β ladder)trans-97.9104.7178.9-69.5176.2178.9-69.4-4.2110.3D184 R249 L352 I371 S377 T378 G379D184-R373 IonicContact OD1-CZ 2.66Å; D184-R373 IonicContact OD1-NE 3.66Å; D184-R373 IonicContact OD1-NH2 2.95Å; D184-R373 PolarHBondContact OD1-NH2 2.88Å; D184-R373 IonicContact OD2-CZ 3.21Å; D184-R373 IonicContact OD2-NE 3.48Å; D184-R373 PolarHBondContact OD2-NE 3.41Å; D184-R373 IonicContact OD2-NH2 3.66Å; D184-R373 PolarHBondContact OD2-NH2 3.33Å; R249-R373 PolarHBondContact NH2-O 3.02Å; L352-R373 HydrophobicContact CD1-CB 4.31Å; L352-R373 HydrophobicContact CD1-CG 3.42Å; L352-R373 VanDerWaalsContact CD1-CG 3.42Å; I371-R373 HydrophobicContact CG1-CG 4.47Å; R373-S377 WeakPolarHBondContact CD-O 3.43Å; R373-T378 VanDerWaalsContact NH1-C 3.34Å; R373-T378 PolarHBondContact NH1-O 2.83Å; R373-G379 PolarHBondContact NH1-O 3.49Å; R373-G379 PolarHBondContact NH2-O 2.87Å
374R89.8Confident85.6Confident50 Ų5026.7 Ų26.719%0.18914%0.141CC..EExtended strand (participates in β ladder)trans-91.5150177.6-63.9-173.3178.3-1770.7112.3F324 S351 L353 E372 Q376 S377F324-R374 PolarHBondContact O-NH1 2.88Å; S351-R374 PolarHBondContact N-O 2.76Å; S351-R374 PolarHBondContact O-N 2.88Å; S351-R374 WeakPolarHBondContact OG-CB 3.4Å; L353-R374 HydrophobicContact CD1-CG 3.99Å; E372-R374 HydrophobicContact CG-CG 4.31Å; E372-R374 IonicContact OE1-CZ 3.99Å; E372-R374 IonicContact OE1-NE 3.76Å; E372-R374 PolarHBondContact OE1-NE 3.05Å; E372-R374 IonicContact OE1-NH2 2.89Å; E372-R374 PolarHBondContact OE1-NH2 3.11Å; E372-R374 IonicContact OE2-NH2 3.65Å; R374-Q376 PolarHBondContact O-N 2.82Å; R374-S377 VanDerWaalsContact O-CB 3.23Å; R374-S377 WeakPolarHBondContact O-CB 3.16Å; R374-S377 PolarHBondContact O-N 2.9Å; R374-S377 VanDerWaalsContact O-N 3.1Å
375N82.6Confident86.3Confident99 Ų9927.3 Ų27.353%0.52914%0.144SC..THydrogen-bonded Turntrans4854.1172.6-57.7-26.2000113.7F324 I349 S377F324-N375 WeakPolarHBondContact CE1-ND2 3.46Å; I349-N375 VanDerWaalsContact O-CB 3.29Å; I349-N375 WeakPolarHBondContact O-CB 3.29Å; N375-S377 PolarHBondContact O-N 3.35Å; N375-S377 VanDerWaalsContact O-N 3.17Å
376Q75.5Confident86.2Confident165 Ų16529.4 Ų29.477%0.77115%0.151SC*.THydrogen-bonded Turntrans64.314.5177.4-52.5-178.4-22.300115.8R374 T378R374-Q376 PolarHBondContact O-N 2.82Å; Q376-T378 WeakPolarHBondContact O-CG2 3.45Å; Q376-T378 PolarHBondContact O-N 2.88Å
377S79.6Confident85.6Confident0 Ų029.6 Ų29.60%015%0.153CC..  trans-51.3130.5174.5171.50000112.4E341 R373 R374 N375E341-S377 VanDerWaalsContact OE2-C 3.27Å; E341-S377 WeakPolarHBondContact OE2-CA 3.44Å; E341-S377 WeakPolarHBondContact OE2-CB 3.41Å; E341-S377 PolarHBondContact OE2-OG 2.83Å; R373-S377 WeakPolarHBondContact CD-O 3.43Å; R374-S377 VanDerWaalsContact O-CB 3.23Å; R374-S377 WeakPolarHBondContact O-CB 3.16Å; R374-S377 PolarHBondContact O-N 2.9Å; R374-S377 VanDerWaalsContact O-N 3.1Å; N375-S377 PolarHBondContact O-N 3.35Å; N375-S377 VanDerWaalsContact O-N 3.17Å
378T79.4Confident84.9Confident43 Ų4330.2 Ų30.226%0.26416%0.157SC..  trans-124.2-10.6177.660.90000113.9Y248 R249 E341 R373 Q376Y248-T378 HydrophobicContact CD1-CG2 4.3Å; Y248-T378 HydrophobicContact CE1-CG2 4.44Å; R249-T378 HydrophobicContact CB-CG2 4.31Å; R249-T378 HydrophobicContact CG-CG2 4.44Å; E341-T378 VanDerWaalsContact CD-N 3.33Å; E341-T378 PolarHBondContact OE1-N 2.94Å; E341-T378 PolarHBondContact OE1-OG1 3.23Å; E341-T378 VanDerWaalsContact OE1-OG1 3.12Å; E341-T378 PolarHBondContact OE2-N 2.98Å; R373-T378 VanDerWaalsContact NH1-C 3.34Å; R373-T378 PolarHBondContact NH1-O 2.83Å; Q376-T378 WeakPolarHBondContact O-CG2 3.45Å; Q376-T378 PolarHBondContact O-N 2.88Å
379G79.4Confident84.1Confident18 Ų1830.4 Ų30.419%0.18616%0.158CC..SBendtrans-72.4179.3-178.400000114.2E341 R373E341-G379 VanDerWaalsContact CD-N 3.31Å; E341-G379 PolarHBondContact OE1-N 2.99Å; E341-G379 PolarHBondContact OE2-N 2.83Å; R373-G379 PolarHBondContact NH1-O 3.49Å; R373-G379 PolarHBondContact NH2-O 2.87Å
380F82.9Confident83.4Confident14 Ų1433.6 Ų33.66%0.06117%0.172CC..  trans-100.6-6.8-176.7-71.6-92.7000114.4I211 I213 A236 K253 V255 L352 I385I211-F380 HydrophobicContact CD1-CE2 4.01Å; I211-F380 HydrophobicContact CD1-CZ 3.78Å; I213-F380 HydrophobicContact CB-CD2 4.11Å; I213-F380 HydrophobicContact CB-CG 4.49Å; I213-F380 HydrophobicContact CG1-CD2 3.94Å; I213-F380 HydrophobicContact CG1-CE2 4.11Å; I213-F380 HydrophobicContact CG1-CG 4.23Å; I213-F380 HydrophobicContact CG2-CB 3.83Å; I213-F380 HydrophobicContact CG2-CD2 4.22Å; I213-F380 HydrophobicContact CG2-CG 4.17Å; A236-F380 HydrophobicContact CB-CE1 4.25Å; A236-F380 HydrophobicContact CB-CE2 4.19Å; A236-F380 HydrophobicContact CB-CZ 3.63Å; K253-F380 HydrophobicContact CB-CE1 4.37Å; K253-F380 HydrophobicContact CB-CZ 4.24Å; K253-F380 HydrophobicContact CD-CE1 4.25Å; K253-F380 HydrophobicContact CD-CZ 3.94Å; K253-F380 HydrophobicContact CG-CZ 4.46Å; V255-F380 HydrophobicContact CG2-CD1 4.11Å; V255-F380 HydrophobicContact CG2-CE1 3.46Å; V255-F380 VanDerWaalsContact CG2-CE1 3.46Å; V255-F380 HydrophobicContact CG2-CZ 4.32Å; L352-F380 WeakPolarHBondContact CD2-O 3.49Å; F380-I385 HydrophobicContact CB-CD1 4.17Å
381G78.5Confident82.4Confident9 Ų933.7 Ų33.79%0.09317%0.174CC..  trans72.165-177.400000112.3D339 N383 N384 I385D339-G381 WeakPolarHBondContact OD2-CA 3.36Å; G381-N383 PolarHBondContact O-N 3.02Å; G381-N383 VanDerWaalsContact O-N 3.12Å; G381-N384 WeakPolarHBondContact O-CA 3.47Å; G381-N384 WeakPolarHBondContact O-CB 3.19Å; G381-N384 PolarHBondContact O-N 3.49Å; G381-I385 WeakPolarHBondContact O-CG1 3.24Å; G381-I385 PolarHBondContact O-N 3.46Å
382E79.8Confident81.4Confident58 Ų5834.4 Ų34.427%0.27118%0.177SC..Hα-helixtrans-49.5-39.2-178.762.3177.8-168.300113.6N214 F223 D339 I385 N386N214-E382 WeakPolarHBondContact CB-OE2 3.25Å; N214-E382 PolarHBondContact ND2-OE2 3.12Å; F223-E382 HydrophobicContact CE1-CB 4.17Å; F223-E382 HydrophobicContact CE2-CB 4.16Å; F223-E382 HydrophobicContact CZ-CB 3.59Å; D339-E382 PolarHBondContact OD2-N 2.99Å; E382-I385 PolarHBondContact O-N 3.03Å; E382-N386 PolarHBondContact O-N 3.02Å; E382-N386 VanDerWaalsContact O-N 3.09Å; E382-N386 PolarHBondContact O-ND2 3.45Å
383N79.4Confident80.5Confident43 Ų4334.6 Ų34.623%0.2318%0.178CC..Hα-helixtrans-76.9-30.4-179.2-61.7-64.2000111.5D339 G381 A387D339-N383 PolarHBondContact OD1-ND2 3.06Å; D339-N383 WeakPolarHBondContact OD2-CB 3.46Å; D339-N383 PolarHBondContact OD2-N 2.91Å; D339-N383 PolarHBondContact OD2-ND2 2.78Å; G381-N383 PolarHBondContact O-N 3.02Å; G381-N383 VanDerWaalsContact O-N 3.12Å; N383-A387 VanDerWaalsContact O-CB 3.31Å; N383-A387 WeakPolarHBondContact O-CB 3.3Å; N383-A387 PolarHBondContact O-N 3.31Å
384N82.7Confident79.6Confident0 Ų036.4 Ų36.40%019%0.188CC..Hα-helixtrans-68.7-40.8172.1-74.7-7.6000110.9Y311 L337 V338 D339 L352 Q354 G381 N386 A387 L388Y311-N384 PolarHBondContact OH-OD1 2.89Å; Y311-N384 VanDerWaalsContact OH-OD1 3.13Å; L337-N384 HydrophobicContact CB-CB 4.17Å; L337-N384 WeakPolarHBondContact CB-OD1 3.49Å; L337-N384 HydrophobicContact CD1-CB 4.39Å; V338-N384 PolarHBondContact N-OD1 3.3Å; V338-N384 PolarHBondContact O-OD1 2.95Å; V338-N384 VanDerWaalsContact O-OD1 3.14Å; D339-N384 HydrophobicContact CB-CB 4.44Å; D339-N384 PolarHBondContact N-ND2 2.91Å; D339-N384 PolarHBondContact N-OD1 2.86Å; L352-N384 PolarHBondContact O-ND2 3.36Å; L352-N384 VanDerWaalsContact O-ND2 3.11Å; Q354-N384 PolarHBondContact OE1-ND2 2.95Å; G381-N384 WeakPolarHBondContact O-CA 3.47Å; G381-N384 WeakPolarHBondContact O-CB 3.19Å; G381-N384 PolarHBondContact O-N 3.49Å; N384-N386 VanDerWaalsContact C-N 3.35Å; N384-N386 PolarHBondContact O-N 2.93Å; N384-A387 PolarHBondContact O-N 2.97Å; N384-L388 VanDerWaalsContact O-CB 3.26Å; N384-L388 WeakPolarHBondContact O-CB 3.15Å; N384-L388 PolarHBondContact O-N 3.49Å
385I80.7Confident78.5Confident19 Ų1936.9 Ų36.910%0.09720%0.199CC..Hα-helixtrans-60.3-46.5175.1-61.7169.3000110.1I213 F223 V225 M232 L234 F380 G381 E382 L388 W389I213-I385 HydrophobicContact CG2-CD1 4.37Å; F223-I385 HydrophobicContact CE1-CD1 4.44Å; V225-I385 HydrophobicContact CG2-CG2 3.87Å; M232-I385 HydrophobicContact CE-CG2 3.4Å; M232-I385 VanDerWaalsContact CE-CG2 3.4Å; L234-I385 HydrophobicContact CD1-CG2 4.38Å; L234-I385 HydrophobicContact CD2-CD1 4.43Å; L234-I385 HydrophobicContact CD2-CG2 4.4Å; F380-I385 HydrophobicContact CB-CD1 4.17Å; G381-I385 WeakPolarHBondContact O-CG1 3.24Å; G381-I385 PolarHBondContact O-N 3.46Å; E382-I385 PolarHBondContact O-N 3.03Å; I385-L388 PolarHBondContact O-N 3.26Å; I385-W389 VanDerWaalsContact O-CB 3.29Å; I385-W389 WeakPolarHBondContact O-CB 3.49Å; I385-W389 PolarHBondContact O-N 2.94Å
386N81Confident77.5Confident59 Ų5935.1 Ų35.132%0.31619%0.188SC..Hα-helixtrans-59.9-46.9176-74.7-35.8000112.2V225 E382 N384 W389 E390V225-N386 WeakPolarHBondContact CG1-OD1 3.33Å; V225-N386 WeakPolarHBondContact CG2-OD1 3.46Å; E382-N386 PolarHBondContact O-N 3.02Å; E382-N386 VanDerWaalsContact O-N 3.09Å; E382-N386 PolarHBondContact O-ND2 3.45Å; N384-N386 VanDerWaalsContact C-N 3.35Å; N384-N386 PolarHBondContact O-N 2.93Å; N386-W389 PolarHBondContact O-N 3.42Å; N386-E390 PolarHBondContact O-N 2.94Å
387A80.4Confident76.6Confident6 Ų632.8 Ų32.85%0.0519%0.185CC..Hα-helixtrans-66.9-40.5-179.200000112.8Y311 L337 N383 N384 A391Y311-A387 HydrophobicContact CD2-CB 3.33Å; Y311-A387 HydrophobicContact CE2-CB 3.32Å; Y311-A387 HydrophobicContact CG-CB 4.3Å; L337-A387 HydrophobicContact CD2-CB 4.26Å; N383-A387 VanDerWaalsContact O-CB 3.31Å; N383-A387 WeakPolarHBondContact O-CB 3.3Å; N383-A387 PolarHBondContact O-N 3.31Å; N384-A387 PolarHBondContact O-N 2.97Å; A387-A391 WeakPolarHBondContact O-CB 3.43Å; A387-A391 PolarHBondContact O-N 3.25Å
388L77.8Confident74.8Confident18 Ų1842.3 Ų42.39%0.09424%0.235CC..Hα-helixtrans-60.7-48.1172.9174.966.5000110.6I305 L337 F356 N384 I385 E390 A391 L392I305-L388 HydrophobicContact CD1-CD1 4.15Å; I305-L388 HydrophobicContact CG2-CD1 4.29Å; L337-L388 HydrophobicContact CD1-CB 3.95Å; F356-L388 HydrophobicContact CB-CD1 3.75Å; F356-L388 HydrophobicContact CD1-CD1 4.37Å; F356-L388 HydrophobicContact CD1-CD2 3.6Å; F356-L388 HydrophobicContact CD2-CB 4.33Å; F356-L388 HydrophobicContact CD2-CD1 3.36Å; F356-L388 HydrophobicContact CD2-CD2 3.57Å; F356-L388 HydrophobicContact CD2-CG 3.89Å; F356-L388 HydrophobicContact CE1-CD2 3.48Å; F356-L388 VanDerWaalsContact CE1-CD2 3.48Å; F356-L388 HydrophobicContact CE2-CB 4.2Å; F356-L388 HydrophobicContact CE2-CD1 4.06Å; F356-L388 HydrophobicContact CE2-CD2 3.5Å; F356-L388 HydrophobicContact CE2-CG 4.09Å; F356-L388 HydrophobicContact CG-CD1 3.55Å; F356-L388 HydrophobicContact CG-CD2 3.62Å; F356-L388 HydrophobicContact CG-CG 4.16Å; F356-L388 HydrophobicContact CZ-CD2 3.45Å; F356-L388 VanDerWaalsContact CZ-CD2 3.45Å; F356-L388 HydrophobicContact CZ-CG 4.5Å; N384-L388 VanDerWaalsContact O-CB 3.26Å; N384-L388 WeakPolarHBondContact O-CB 3.15Å; N384-L388 PolarHBondContact O-N 3.49Å; I385-L388 PolarHBondContact O-N 3.26Å; L388-E390 VanDerWaalsContact C-N 3.35Å; L388-E390 PolarHBondContact O-N 3.2Å; L388-A391 WeakPolarHBondContact O-CB 3.46Å; L388-A391 PolarHBondContact O-N 3.42Å; L388-L392 HydrophobicContact CD1-CD1 3.96Å; L388-L392 HydrophobicContact CD1-CG 4.1Å; L388-L392 HydrophobicContact CD2-CD1 4.2Å; L388-L392 HydrophobicContact CG-CD1 3.75Å; L388-L392 HydrophobicContact CG-CG 4.3Å; L388-L392 WeakPolarHBondContact O-CB 3.48Å; L388-L392 WeakPolarHBondContact O-CG 3.4Å; L388-L392 PolarHBondContact O-N 2.91Å
389W80.1Confident74.5Confident4 Ų442.3 Ų42.32%0.01523%0.233CC..Hα-helixtrans-58.6-48.7-179.9-175.6-104.8000110.9V225 T230 M232 S266 Q267 V268 I385 N386 A391 L392 E393V225-W389 HydrophobicContact CG1-CB 3.94Å; V225-W389 HydrophobicContact CG1-CG 3.89Å; T230-W389 PolarHBondContact OG1-NE1 2.74Å; M232-W389 HydrophobicContact CB-CH2 4.21Å; M232-W389 HydrophobicContact CB-CZ2 4.46Å; M232-W389 HydrophobicContact CB-CZ3 4.47Å; M232-W389 HydrophobicContact CE-CB 4.01Å; M232-W389 HydrophobicContact CE-CD2 3.91Å; M232-W389 HydrophobicContact CE-CE3 3.62Å; M232-W389 HydrophobicContact CE-CG 4.1Å; M232-W389 HydrophobicContact CE-CZ3 4.33Å; M232-W389 HydrophobicContact CG-CD2 4.34Å; M232-W389 HydrophobicContact CG-CE3 4.23Å; M232-W389 HydrophobicContact CG-CH2 4.33Å; M232-W389 HydrophobicContact CG-CZ2 4.46Å; M232-W389 HydrophobicContact CG-CZ3 4.23Å; M232-W389 HydrophobicContact SD-CD2 4.14Å; M232-W389 HydrophobicContact SD-CE3 3.53Å; M232-W389 VanDerWaalsContact SD-CE3 3.53Å; M232-W389 HydrophobicContact SD-CH2 4.27Å; M232-W389 HydrophobicContact SD-CZ3 3.6Å; S266-W389 VanDerWaalsContact CB-CH2 3.46Å; S266-W389 VanDerWaalsContact CB-CZ2 3.48Å; Q267-W389 HydrophobicContact CB-CE3 4.49Å; Q267-W389 HydrophobicContact CB-CH2 4.16Å; Q267-W389 HydrophobicContact CB-CZ3 3.76Å; V268-W389 HydrophobicContact CG2-CH2 3.87Å; V268-W389 HydrophobicContact CG2-CZ3 3.85Å; I385-W389 VanDerWaalsContact O-CB 3.29Å; I385-W389 WeakPolarHBondContact O-CB 3.49Å; I385-W389 PolarHBondContact O-N 2.94Å; N386-W389 PolarHBondContact O-N 3.42Å; W389-A391 VanDerWaalsContact C-N 3.34Å; W389-A391 PolarHBondContact O-N 3.38Å; W389-L392 PolarHBondContact O-N 3.21Å; W389-E393 HydrophobicContact CD2-CG 4.24Å; W389-E393 HydrophobicContact CG-CG 4.43Å; W389-E393 HydrophobicContact CZ2-CG 4.35Å; W389-E393 WeakPolarHBondContact O-CB 3.36Å; W389-E393 WeakPolarHBondContact O-CG 3.16Å; W389-E393 PolarHBondContact O-N 3.38Å
390E80.7Confident74.3Confident69 Ų6943.5 Ų43.532%0.32224%0.236SC..Hα-helixtrans-57.2-45.3174.4173.6165.9-158.300112.3F227 N386 L388 L392 E393 I394F227-E390 HydrophobicContact CD2-CB 4Å; F227-E390 HydrophobicContact CD2-CG 3.93Å; F227-E390 HydrophobicContact CE2-CB 4.07Å; F227-E390 HydrophobicContact CE2-CG 3.47Å; F227-E390 VanDerWaalsContact CE2-CG 3.47Å; F227-E390 WeakPolarHBondContact CE2-OE1 3.06Å; F227-E390 HydrophobicContact CG-CB 4.43Å; F227-E390 HydrophobicContact CZ-CG 3.79Å; N386-E390 PolarHBondContact O-N 2.94Å; L388-E390 VanDerWaalsContact C-N 3.35Å; L388-E390 PolarHBondContact O-N 3.2Å; E390-L392 PolarHBondContact O-N 3.11Å; E390-E393 PolarHBondContact O-N 3.3Å; E390-I394 HydrophobicContact CG-CD1 3.7Å; E390-I394 WeakPolarHBondContact O-CB 3.42Å; E390-I394 WeakPolarHBondContact O-CD1 3.44Å; E390-I394 VanDerWaalsContact O-CG1 3.23Å; E390-I394 WeakPolarHBondContact O-CG1 3.26Å; E390-I394 PolarHBondContact O-N 2.85Å
391A77.2Confident73.8Confident3 Ų345.2 Ų45.23%0.02525%0.246CC..Hα-helixtrans-61.8-44177.900000112.6I305 A307 A387 L388 W389 I394 S395I305-A391 HydrophobicContact CG2-CB 4.09Å; A307-A391 HydrophobicContact CB-CB 4.46Å; A387-A391 WeakPolarHBondContact O-CB 3.43Å; A387-A391 PolarHBondContact O-N 3.25Å; L388-A391 WeakPolarHBondContact O-CB 3.46Å; L388-A391 PolarHBondContact O-N 3.42Å; W389-A391 VanDerWaalsContact C-N 3.34Å; W389-A391 PolarHBondContact O-N 3.38Å; A391-I394 PolarHBondContact O-N 3.46Å; A391-S395 WeakPolarHBondContact O-CB 3.39Å; A391-S395 PolarHBondContact O-N 2.92Å; A391-S395 PolarHBondContact O-OG 3.41Å
392L74.5Confident73.5Confident15 Ų1547.3 Ų47.38%0.07926%0.255CS..Hα-helixtrans-62.8-45178-82.7171.3000111.6Q267 I305 L388 W389 E390 S395 Q396Q267-L392 HydrophobicContact CG-CD1 4.04Å; Q267-L392 HydrophobicContact CG-CD2 4.44Å; I305-L392 HydrophobicContact CD1-CD1 4.47Å; I305-L392 HydrophobicContact CD1-CD2 3.33Å; I305-L392 HydrophobicContact CD1-CG 4.03Å; I305-L392 HydrophobicContact CG1-CD2 3.92Å; I305-L392 HydrophobicContact CG2-CD2 4.24Å; I305-L392 HydrophobicContact CG2-CG 4.37Å; L388-L392 HydrophobicContact CD1-CD1 3.96Å; L388-L392 HydrophobicContact CD1-CG 4.1Å; L388-L392 HydrophobicContact CD2-CD1 4.2Å; L388-L392 HydrophobicContact CG-CD1 3.75Å; L388-L392 HydrophobicContact CG-CG 4.3Å; L388-L392 WeakPolarHBondContact O-CB 3.48Å; L388-L392 WeakPolarHBondContact O-CG 3.4Å; L388-L392 PolarHBondContact O-N 2.91Å; W389-L392 PolarHBondContact O-N 3.21Å; E390-L392 PolarHBondContact O-N 3.11Å; L392-S395 PolarHBondContact O-N 3.39Å; L392-S395 PolarHBondContact O-OG 3.46Å; L392-Q396 VanDerWaalsContact O-CG 3.3Å; L392-Q396 WeakPolarHBondContact O-CG 3.46Å; L392-Q396 PolarHBondContact O-N 2.67Å; L392-Q396 PolarHBondContact O-NE2 2.94Å
393E77.3Confident73.1Confident19 Ų1946.6 Ų46.69%0.08925%0.254CS..Hα-helixtrans-68.1-39.9-179.5-65.4-70124.200111.1F227 T230 S266 Q267 W389 E390 Q396 T397F227-E393 HydrophobicContact CD1-CB 3.8Å; F227-E393 HydrophobicContact CD1-CG 4.26Å; F227-E393 HydrophobicContact CE1-CB 4.07Å; T230-E393 WeakPolarHBondContact CB-OE2 3.34Å; T230-E393 WeakPolarHBondContact CG2-OE2 3.27Å; T230-E393 PolarHBondContact OG1-OE2 2.74Å; S266-E393 WeakPolarHBondContact CA-OE1 3.35Å; Q267-E393 PolarHBondContact N-OE1 3.37Å; W389-E393 HydrophobicContact CD2-CG 4.24Å; W389-E393 HydrophobicContact CG-CG 4.43Å; W389-E393 HydrophobicContact CZ2-CG 4.35Å; W389-E393 WeakPolarHBondContact O-CB 3.36Å; W389-E393 WeakPolarHBondContact O-CG 3.16Å; W389-E393 PolarHBondContact O-N 3.38Å; E390-E393 PolarHBondContact O-N 3.3Å; E393-Q396 PolarHBondContact O-N 2.96Å; E393-T397 PolarHBondContact O-N 3.34Å; E393-T397 PolarHBondContact O-OG1 3.08Å
394I73.2Confident72.7Confident54 Ų5446.9 Ų46.928%0.27726%0.255SS..Hα-helixtrans-63.2-46.9174.8-69.3164.8000111.4F227 P308 E390 A391 Q396 T397 L398F227-I394 HydrophobicContact CE1-CG1 4.39Å; F227-I394 HydrophobicContact CZ-CD1 4.37Å; F227-I394 HydrophobicContact CZ-CG1 4.24Å; P308-I394 HydrophobicContact CG-CD1 3.53Å; E390-I394 HydrophobicContact CG-CD1 3.7Å; E390-I394 WeakPolarHBondContact O-CB 3.42Å; E390-I394 WeakPolarHBondContact O-CD1 3.44Å; E390-I394 VanDerWaalsContact O-CG1 3.23Å; E390-I394 WeakPolarHBondContact O-CG1 3.26Å; E390-I394 PolarHBondContact O-N 2.85Å; A391-I394 PolarHBondContact O-N 3.46Å; I394-Q396 PolarHBondContact O-N 2.91Å; I394-Q396 VanDerWaalsContact O-N 3.15Å; I394-T397 PolarHBondContact O-N 2.83Å; I394-T397 VanDerWaalsContact O-N 3.1Å; I394-T397 PolarHBondContact O-OG1 2.6Å; I394-L398 HydrophobicContact CG2-CD1 4.45Å
395S66.5Low72Confident60 Ų6050.2 Ų50.242%0.4227%0.273SS..Hα-helixtrans-62.4-23.3-178.169.80000113.6A391 L392A391-S395 WeakPolarHBondContact O-CB 3.39Å; A391-S395 PolarHBondContact O-N 2.92Å; A391-S395 PolarHBondContact O-OG 3.41Å; L392-S395 PolarHBondContact O-N 3.39Å; L392-S395 PolarHBondContact O-OG 3.46Å
396Q61.3Low71.3Confident62 Ų6252.6 Ų52.629%0.2929%0.287SS..Hα-helixtrans-92.8-12.9179.3-67.917960.200113.7R270 L392 E393 I394R270-Q396 VanDerWaalsContact CD-OE1 3.25Å; L392-Q396 VanDerWaalsContact O-CG 3.3Å; L392-Q396 WeakPolarHBondContact O-CG 3.46Å; L392-Q396 PolarHBondContact O-N 2.67Å; L392-Q396 PolarHBondContact O-NE2 2.94Å; E393-Q396 PolarHBondContact O-N 2.96Å; I394-Q396 PolarHBondContact O-N 2.91Å; I394-Q396 VanDerWaalsContact O-N 3.15Å
397T56.6Low70.5Confident116 Ų11652.1 Ų52.171%0.71228%0.284SS*.Hα-helixtrans-87.7-12.1173.5-10.40000112.8E393 I394E393-T397 PolarHBondContact O-N 3.34Å; E393-T397 PolarHBondContact O-OG1 3.08Å; I394-T397 PolarHBondContact O-N 2.83Å; I394-T397 VanDerWaalsContact O-N 3.1Å; I394-T397 PolarHBondContact O-OG1 2.6Å
398L40.6Very low69.6Low199 Ų19956.3 Ų56.3100%1.04231%0.306SS*.  trans-90.30174.1-66.5169.7000110.3I394I394-L398 HydrophobicContact CG2-CD1 4.45Å

Retrieved 398 of 398 residues in 136.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).