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Vacuolar protein sorting-associated protein 33A

Plays a role in vesicle-mediated protein trafficking to lysosomal compartments including the endocytic membrane transport and autophagic pathways. Believed to act as a core component of the putative HOPS and CORVET endosomal tethering complexes which are proposed to be involved in the Rab5-to-Rab7 endosome conversion probably implicating MON1A/B, and via binding SNAREs and SNARE complexes to mediate tethering and docking events during SNARE-mediated membrane fusion. The HOPS complex is proposed to be recruited to Rab7 on the late endosomal membrane and to regulate late endocytic, phagocytic and autophagic traffic towards lysosomes. The CORVET complex is proposed to function as a Rab5 effector to mediate early endosome fusion probably in specific endosome subpopulations. Required for fusion of endosomes and autophagosomes with lysosomes; the function is dependent on its association with VPS16 but not VIPAS39. The function in autophagosome-lysosome fusion implicates STX17 but not UVRAG.

AlphaFold DB (Q96AX1), UniProt , Accession A0A096NFS0, Species PAPAN (Papio anubis, Olive baboon), Gene VPS33A, Length 596 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.1Low83.6Confident240 Ų24065.9 Ų65.9100%1.18237%0.373SS*.  0142.50-78.7-169.8-95.100108.9A3M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.2Å; M1-A3 VanDerWaalsContact O-N 3.15Å
2A78.9Confident84.7Confident17 Ų1760.4 Ų60.414%0.1434%0.342CS..  trans-87.974.8178.100000110.3H4 L5 R16A2-H4 PolarHBondContact O-N 3.08Å; A2-H4 VanDerWaalsContact O-N 3.12Å; A2-L5 HydrophobicContact CB-CD1 4.26Å; A2-L5 HydrophobicContact CB-CG 4.21Å; A2-L5 PolarHBondContact O-N 2.67Å; A2-R16 VanDerWaalsContact CB-CZ 3.5Å
3A84.6Confident85.5Confident69 Ų6958.8 Ų58.857%0.5733%0.332SS*.G310 helixtrans-56.9-28.1-177.400000112.8M1 L5 S6M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.2Å; M1-A3 VanDerWaalsContact O-N 3.15Å; A3-L5 PolarHBondContact O-N 2.87Å; A3-S6 PolarHBondContact O-N 2.98Å; A3-S6 PolarHBondContact O-OG 2.92Å
4H91Very high86.3Confident30 Ų3058.9 Ų58.914%0.13933%0.334CS..G310 helixtrans-61.1-21.7174.868.9-92000113.6A2 S6 Y7 D148 G149 A292A2-H4 PolarHBondContact O-N 3.08Å; A2-H4 VanDerWaalsContact O-N 3.12Å; H4-S6 VanDerWaalsContact C-N 3.3Å; H4-S6 PolarHBondContact O-N 3.11Å; H4-Y7 WeakPolarHBondContact O-CD1 3.49Å; H4-Y7 WeakPolarHBondContact O-CE1 3.19Å; H4-D148 IonicContact CD2-OD1 2.84Å; H4-G149 WeakPolarHBondContact O-CA 3.27Å; H4-G149 PolarHBondContact O-N 2.94Å; H4-A292 HydrophobicContact CB-CB 4.17Å
5L93.8Very high87Confident1 Ų155.2 Ų55.21%0.00531%0.313CS..G310 helixtrans-88.54.3176.1-60.7-173.4000113.9A2 A3 L12 N13 R16 P146A2-L5 HydrophobicContact CB-CD1 4.26Å; A2-L5 HydrophobicContact CB-CG 4.21Å; A2-L5 PolarHBondContact O-N 2.67Å; A3-L5 PolarHBondContact O-N 2.87Å; L5-L12 PolarHBondContact O-N 3.43Å; L5-N13 HydrophobicContact CB-CB 4.16Å; L5-N13 PolarHBondContact O-N 3.25Å; L5-R16 HydrophobicContact CD1-CB 4.4Å; L5-P146 HydrophobicContact CD1-CB 4.27Å; L5-P146 HydrophobicContact CD1-CG 4.1Å; L5-P146 HydrophobicContact CD2-CB 4Å
6S89.4Confident87.5Confident57 Ų5752.9 Ų52.940%0.39930%0.298SS..SBendtrans-131.47.3-172.654.50000113.9A3 H4A3-S6 PolarHBondContact O-N 2.98Å; A3-S6 PolarHBondContact O-OG 2.92Å; H4-S6 VanDerWaalsContact C-N 3.3Å; H4-S6 PolarHBondContact O-N 3.11Å
7Y79.5Confident88Confident81 Ų8153.3 Ų53.332%0.31830%0.297SS..SBendtrans-82.8138169.974.8-93.4000109.4H4 D148 D150 S291 R300H4-Y7 WeakPolarHBondContact O-CD1 3.49Å; H4-Y7 WeakPolarHBondContact O-CE1 3.19Å; Y7-D148 VanDerWaalsContact CE1-OD1 3.25Å; Y7-D148 WeakPolarHBondContact CE1-OD1 3.34Å; Y7-D148 VanDerWaalsContact OH-CG 3.29Å; Y7-D148 PolarHBondContact OH-OD1 2.88Å; Y7-D150 PolarHBondContact OH-OD1 2.65Å; Y7-S291 WeakPolarHBondContact CE1-OG 3.24Å; Y7-S291 PolarHBondContact OH-OG 3.32Å; Y7-S291 VanDerWaalsContact OH-OG 3.07Å; Y7-R300 PolarHBondContact OH-NH2 3.31Å; Y7-R300 VanDerWaalsContact OH-NH2 3.1Å
8G78.9Confident88.5Confident56 Ų5651.1 Ų51.158%0.57729%0.286SS*.SBendtrans104.6-172.5-17600000113.5V10G8-V10 VanDerWaalsContact C-N 3.32Å
9R83.1Confident88.9Confident101 Ų10148.7 Ų48.738%0.38127%0.273SS..SBendtrans-78.2-16.2-179.4-74.1179.1-171-137.1-3.7113.9N542 V544 E573R9-N542 PolarHBondContact NH1-O 2.8Å; R9-V544 HydrophobicContact CB-CG2 3.92Å; R9-V544 HydrophobicContact CG-CG2 4.41Å; R9-E573 WeakPolarHBondContact CD-OE2 3.23Å; R9-E573 WeakPolarHBondContact CG-OE2 3.36Å; R9-E573 PolarHBondContact N-OE1 2.96Å; R9-E573 IonicContact NE-OE2 3.7Å; R9-E573 PolarHBondContact NE-OE2 3.46Å
10V92.3Very high89.3Confident3 Ų347.8 Ų47.82%0.01827%0.265CS..SBendtrans-114122.4-178.2-169.30000109.7G8 L12 Y186 V223 F224 V544 V575G8-V10 VanDerWaalsContact C-N 3.32Å; V10-L12 HydrophobicContact CG1-CD2 3.7Å; V10-L12 HydrophobicContact CG1-CG 4.3Å; V10-L12 PolarHBondContact O-N 3.45Å; V10-Y186 HydrophobicContact CG1-CD1 4.09Å; V10-Y186 HydrophobicContact CG1-CE1 3.83Å; V10-V223 HydrophobicContact CG1-CG1 4.49Å; V10-V223 HydrophobicContact CG2-CG1 3.8Å; V10-F224 HydrophobicContact CB-CZ 4.49Å; V10-F224 HydrophobicContact CG1-CE1 4.37Å; V10-F224 HydrophobicContact CG1-CE2 4.37Å; V10-F224 HydrophobicContact CG1-CZ 3.76Å; V10-F224 HydrophobicContact CG2-CD1 4.45Å; V10-F224 HydrophobicContact CG2-CE1 3.78Å; V10-F224 HydrophobicContact CG2-CZ 4.02Å; V10-V544 HydrophobicContact CG2-CG1 3.82Å; V10-V575 HydrophobicContact CB-CG2 4.32Å; V10-V575 HydrophobicContact CG2-CG2 3.79Å
11N95.2Very high89.6Confident70 Ų7052.1 Ų52.137%0.37428%0.278SS..  trans-87.694.1173.6-174.4-5.5000110.3N13 V14 Y186N11-N13 PolarHBondContact O-N 3.13Å; N11-N13 WeakPolarHBondContact OD1-CB 3.15Å; N11-N13 PolarHBondContact OD1-N 3.39Å; N11-N13 VanDerWaalsContact OD1-N 3.13Å; N11-V14 HydrophobicContact CB-CG2 4.29Å; N11-V14 WeakPolarHBondContact O-CG2 3.32Å; N11-V14 PolarHBondContact O-N 3.2Å; N11-Y186 WeakPolarHBondContact O-CE1 3.41Å; N11-Y186 PolarHBondContact O-OH 2.69Å
12L96.5Very high91.7Very high0 Ų043.5 Ų43.50%024%0.235CC..THydrogen-bonded Turntrans-73.3-11.5179-65-175.2000113.6L5 V10 V14 L15 R16 P146 D148 G149 L152 Y186 V575L5-L12 PolarHBondContact O-N 3.43Å; V10-L12 HydrophobicContact CG1-CD2 3.7Å; V10-L12 HydrophobicContact CG1-CG 4.3Å; V10-L12 PolarHBondContact O-N 3.45Å; L12-V14 PolarHBondContact O-N 2.7Å; L12-L15 PolarHBondContact O-N 3.3Å; L12-R16 PolarHBondContact O-N 2.96Å; L12-P146 HydrophobicContact CB-CB 4.17Å; L12-D148 VanDerWaalsContact CD1-O 3.32Å; L12-D148 WeakPolarHBondContact CD1-O 3.15Å; L12-G149 WeakPolarHBondContact CD1-O 3.44Å; L12-L152 HydrophobicContact CD1-CD2 3.9Å; L12-L152 HydrophobicContact CD1-CG 4.02Å; L12-L152 HydrophobicContact CD2-CD1 4.22Å; L12-L152 HydrophobicContact CD2-CD2 4.13Å; L12-L152 HydrophobicContact CD2-CG 4.4Å; L12-L152 HydrophobicContact CG-CD2 4.5Å; L12-Y186 WeakPolarHBondContact CA-OH 3.21Å; L12-V575 HydrophobicContact CD1-CG1 4.49Å
13N95.7Very high92.5Very high40 Ų4042.7 Ų42.721%0.21423%0.228CC..Hα-helixtrans-61.7-26.9170-17066.5000112.3L5 N11 R16 E17L5-N13 HydrophobicContact CB-CB 4.16Å; L5-N13 PolarHBondContact O-N 3.25Å; N11-N13 PolarHBondContact O-N 3.13Å; N11-N13 WeakPolarHBondContact OD1-CB 3.15Å; N11-N13 PolarHBondContact OD1-N 3.39Å; N11-N13 VanDerWaalsContact OD1-N 3.13Å; N13-R16 PolarHBondContact O-N 3.39Å; N13-R16 VanDerWaalsContact OD1-CZ 3.29Å; N13-R16 PolarHBondContact OD1-NE 3.48Å; N13-R16 PolarHBondContact OD1-NH2 3.44Å; N13-E17 WeakPolarHBondContact O-CG 3.37Å; N13-E17 PolarHBondContact O-N 2.94Å
14V96.1Very high93.1Very high60 Ų6043.1 Ų43.136%0.36422%0.215SC..Hα-helixtrans-60.5-45.5176176.90000111.2N11 L12 E17 A18 L185 Y186N11-V14 HydrophobicContact CB-CG2 4.29Å; N11-V14 WeakPolarHBondContact O-CG2 3.32Å; N11-V14 PolarHBondContact O-N 3.2Å; L12-V14 PolarHBondContact O-N 2.7Å; V14-E17 PolarHBondContact O-N 3.01Å; V14-A18 PolarHBondContact O-N 3.24Å; V14-L185 HydrophobicContact CG1-CB 4.46Å; V14-L185 HydrophobicContact CG1-CD2 4.22Å; V14-Y186 HydrophobicContact CB-CE1 4.32Å
15L96.8Very high93.4Very high3 Ų347 Ų472%0.01623%0.233CC..Hα-helixtrans-59.8-48.2174.1176.464.7000111.1L12 E17 A18 V19 L144 L152 T181 L182 L185 Y186L12-L15 PolarHBondContact O-N 3.3Å; L15-E17 VanDerWaalsContact C-N 3.33Å; L15-E17 PolarHBondContact O-N 3.35Å; L15-A18 PolarHBondContact O-N 2.68Å; L15-V19 HydrophobicContact CD1-CG2 4.13Å; L15-V19 WeakPolarHBondContact O-CG2 3.34Å; L15-V19 PolarHBondContact O-N 2.79Å; L15-V19 VanDerWaalsContact O-N 3.07Å; L15-L144 HydrophobicContact CD2-CB 4.2Å; L15-L152 HydrophobicContact CD2-CD2 3.62Å; L15-T181 HydrophobicContact CD1-CG2 3.94Å; L15-L182 HydrophobicContact CD2-CD2 4.07Å; L15-L185 HydrophobicContact CB-CD1 4.11Å; L15-L185 HydrophobicContact CD1-CD1 3.73Å; L15-Y186 PolarHBondContact N-OH 2.88Å
16R96.1Very high93.6Very high18 Ų1847.2 Ų47.27%0.06823%0.234CC..Hα-helixtrans-59.2-43.6-179.8-169.3178.666.6-178.4-1.5112.5A2 L5 L12 N13 V19 R20 I49 P146A2-R16 VanDerWaalsContact CB-CZ 3.5Å; L5-R16 HydrophobicContact CD1-CB 4.4Å; L12-R16 PolarHBondContact O-N 2.96Å; N13-R16 PolarHBondContact O-N 3.39Å; N13-R16 VanDerWaalsContact OD1-CZ 3.29Å; N13-R16 PolarHBondContact OD1-NE 3.48Å; N13-R16 PolarHBondContact OD1-NH2 3.44Å; R16-V19 PolarHBondContact O-N 2.86Å; R16-R20 HydrophobicContact CG-CG 4.49Å; R16-R20 WeakPolarHBondContact O-CB 3.28Å; R16-R20 VanDerWaalsContact O-CG 3.28Å; R16-R20 WeakPolarHBondContact O-CG 3.46Å; R16-R20 PolarHBondContact O-N 3.47Å; R16-I49 HydrophobicContact CG-CD1 4.21Å; R16-P146 HydrophobicContact CB-CG 3.96Å
17E96Very high94Very high60 Ų6044.5 Ų44.528%0.2822%0.215SC..Hα-helixtrans-70-33.5179.3-66.7-53.5133.600112.6N13 V14 L15 R20 R21N13-E17 WeakPolarHBondContact O-CG 3.37Å; N13-E17 PolarHBondContact O-N 2.94Å; V14-E17 PolarHBondContact O-N 3.01Å; L15-E17 VanDerWaalsContact C-N 3.33Å; L15-E17 PolarHBondContact O-N 3.35Å; E17-R20 IonicContact OE1-CZ 2.86Å; E17-R20 IonicContact OE1-NE 3.36Å; E17-R20 IonicContact OE1-NH1 3.54Å; E17-R20 PolarHBondContact OE1-NH1 3.24Å; E17-R21 WeakPolarHBondContact O-CB 3.35Å; E17-R21 PolarHBondContact O-N 2.99Å
18A96.2Very high94.8Very high13 Ų1345.2 Ų45.211%0.10722%0.224CC..Hα-helixtrans-61.7-45.1173.400000111.6V14 L15 R21 E22 L185V14-A18 PolarHBondContact O-N 3.24Å; L15-A18 PolarHBondContact O-N 2.68Å; A18-R21 WeakPolarHBondContact O-CB 3.27Å; A18-R21 PolarHBondContact O-N 3.39Å; A18-E22 PolarHBondContact O-N 3.27Å; A18-L185 HydrophobicContact CB-CD1 4.28Å; A18-L185 HydrophobicContact CB-CD2 4.2Å
19V96Very high95.7Very high7 Ų747.4 Ų47.44%0.04222%0.218CC..Hα-helixtrans-72.9-38.1-179.6-178.90000111L15 R16 R21 E22 L23 I49 Y140 L142L15-V19 HydrophobicContact CD1-CG2 4.13Å; L15-V19 WeakPolarHBondContact O-CG2 3.34Å; L15-V19 PolarHBondContact O-N 2.79Å; L15-V19 VanDerWaalsContact O-N 3.07Å; R16-V19 PolarHBondContact O-N 2.86Å; V19-R21 VanDerWaalsContact C-N 3.29Å; V19-R21 PolarHBondContact O-N 3.14Å; V19-E22 PolarHBondContact O-N 2.95Å; V19-L23 PolarHBondContact O-N 3.47Å; V19-L23 VanDerWaalsContact O-N 3.12Å; V19-I49 HydrophobicContact CG1-CG2 4.33Å; V19-Y140 HydrophobicContact CG1-CE1 4.08Å; V19-Y140 HydrophobicContact CG1-CE2 3.85Å; V19-Y140 WeakPolarHBondContact CG1-OH 3.23Å; V19-Y140 VanDerWaalsContact O-CE2 3.29Å; V19-Y140 WeakPolarHBondContact O-CE2 3.32Å; V19-Y140 PolarHBondContact O-OH 3.49Å; V19-Y140 VanDerWaalsContact O-OH 3.08Å; V19-L142 HydrophobicContact CG1-CD1 3.46Å; V19-L142 VanDerWaalsContact CG1-CD1 3.46Å
20R96.7Very high96.4Very high30 Ų3042.7 Ų42.711%0.11320%0.2CC..Hα-helixtrans-57.6-40.5169.9-78.9173.8172.5-177.5-7.1112.8R16 E17 L23 R24 I49 L54R16-R20 HydrophobicContact CG-CG 4.49Å; R16-R20 WeakPolarHBondContact O-CB 3.28Å; R16-R20 VanDerWaalsContact O-CG 3.28Å; R16-R20 WeakPolarHBondContact O-CG 3.46Å; R16-R20 PolarHBondContact O-N 3.47Å; E17-R20 IonicContact OE1-CZ 2.86Å; E17-R20 IonicContact OE1-NE 3.36Å; E17-R20 IonicContact OE1-NH1 3.54Å; E17-R20 PolarHBondContact OE1-NH1 3.24Å; R20-L23 PolarHBondContact O-N 3.46Å; R20-R24 VanDerWaalsContact O-CG 3.29Å; R20-R24 WeakPolarHBondContact O-CG 3.28Å; R20-R24 PolarHBondContact O-N 3.1Å; R20-I49 HydrophobicContact CG-CG2 4.04Å; R20-I49 PolarHBondContact NE-O 3.46Å; R20-I49 PolarHBondContact NH2-O 3.04Å; R20-L54 HydrophobicContact CB-CD1 4.28Å; R20-L54 HydrophobicContact CG-CD1 3.86Å
21R96.7Very high96.5Very high138 Ų13845.3 Ų45.352%0.52122%0.222SC..Hα-helixtrans-61.1-46.5178.8-179-178.861.1-111.6-5.1111.2E17 A18 V19 L23 R24 E25E17-R21 WeakPolarHBondContact O-CB 3.35Å; E17-R21 PolarHBondContact O-N 2.99Å; A18-R21 WeakPolarHBondContact O-CB 3.27Å; A18-R21 PolarHBondContact O-N 3.39Å; V19-R21 VanDerWaalsContact C-N 3.29Å; V19-R21 PolarHBondContact O-N 3.14Å; R21-L23 VanDerWaalsContact C-N 3.29Å; R21-L23 PolarHBondContact O-N 2.91Å; R21-R24 PolarHBondContact O-N 2.95Å; R21-E25 WeakPolarHBondContact CG-OE1 3.37Å; R21-E25 WeakPolarHBondContact O-CG 3.48Å; R21-E25 PolarHBondContact O-N 2.99Å
22E96.2Very high96.5Very high60 Ų6043 Ų4328%0.2822%0.215SC..Hα-helixtrans-58.8-41176-174.6-175.2164.300111.7A18 V19 E25 F26 Y140 S141A18-E22 PolarHBondContact O-N 3.27Å; V19-E22 PolarHBondContact O-N 2.95Å; E22-E25 PolarHBondContact O-N 3.04Å; E22-F26 PolarHBondContact O-N 3.33Å; E22-F26 VanDerWaalsContact O-N 3.1Å; E22-Y140 HydrophobicContact CB-CD2 4.26Å; E22-Y140 HydrophobicContact CB-CE2 4Å; E22-Y140 HydrophobicContact CG-CD2 3.84Å; E22-Y140 HydrophobicContact CG-CE2 4.11Å; E22-Y140 WeakPolarHBondContact OE1-CA 3.29Å; E22-S141 PolarHBondContact OE1-N 2.86Å
23L96.9Very high96.5Very high0 Ų044.4 Ų44.40%023%0.225CC..Hα-helixtrans-63.1-44.4176.2179.659.2000112.3V19 R20 R21 F26 L27 F46 A50 L54 L55 F82 L112 Y140V19-L23 PolarHBondContact O-N 3.47Å; V19-L23 VanDerWaalsContact O-N 3.12Å; R20-L23 PolarHBondContact O-N 3.46Å; R21-L23 VanDerWaalsContact C-N 3.29Å; R21-L23 PolarHBondContact O-N 2.91Å; L23-F26 PolarHBondContact O-N 2.9Å; L23-L27 HydrophobicContact CD1-CD1 4.25Å; L23-L27 HydrophobicContact CD1-CG 4.26Å; L23-L27 HydrophobicContact CG-CD1 4.09Å; L23-L27 WeakPolarHBondContact O-CG 3.47Å; L23-L27 PolarHBondContact O-N 2.97Å; L23-F46 HydrophobicContact CD1-CE1 4.31Å; L23-F46 HydrophobicContact CD2-CD1 4.45Å; L23-F46 HydrophobicContact CD2-CE1 4.26Å; L23-A50 HydrophobicContact CD2-CB 3.78Å; L23-L54 HydrophobicContact CD2-CD2 4.3Å; L23-L55 HydrophobicContact CD2-CD2 4.18Å; L23-F82 HydrophobicContact CD1-CE2 3.77Å; L23-F82 HydrophobicContact CD1-CZ 3.87Å; L23-L112 HydrophobicContact CD1-CD2 4.33Å; L23-Y140 HydrophobicContact CB-CE2 3.67Å
24R97.2Very high96.7Very high77 Ų7742.5 Ų42.529%0.29122%0.215SC..Hα-helixtrans-61.3-48177.6-68.7-179.3176.7151.6-0.3111.2R20 R21 F26 L27 D28 L54 H58R20-R24 VanDerWaalsContact O-CG 3.29Å; R20-R24 WeakPolarHBondContact O-CG 3.28Å; R20-R24 PolarHBondContact O-N 3.1Å; R21-R24 PolarHBondContact O-N 2.95Å; R24-F26 VanDerWaalsContact C-N 3.26Å; R24-F26 PolarHBondContact O-N 3.31Å; R24-L27 PolarHBondContact O-N 3.44Å; R24-L27 VanDerWaalsContact O-N 3.15Å; R24-D28 WeakPolarHBondContact O-CB 3.41Å; R24-D28 PolarHBondContact O-N 2.94Å; R24-L54 HydrophobicContact CG-CD2 4.44Å; R24-H58 WeakPolarHBondContact CD-NE2 2.87Å; R24-H58 WeakPolarHBondContact CG-NE2 3.37Å
25E97Very high96.7Very high112 Ų11239.7 Ų39.752%0.52320%0.197SC..Hα-helixtrans-56.6-40.2178.1-73.6172.2-169.100111.9R21 E22 K29R21-E25 WeakPolarHBondContact CG-OE1 3.37Å; R21-E25 WeakPolarHBondContact O-CG 3.48Å; R21-E25 PolarHBondContact O-N 2.99Å; E22-E25 PolarHBondContact O-N 3.04Å; E25-K29 WeakPolarHBondContact O-CG 3.27Å; E25-K29 PolarHBondContact O-N 3.44Å
26F97.5Very high96.8Very high6 Ų639.5 Ų39.53%0.02620%0.197CC..Hα-helixtrans-69.8-45.7175171.3-102.1000112.9E22 L23 R24 D28 K29 I80 F82 L112 H136 E138E22-F26 PolarHBondContact O-N 3.33Å; E22-F26 VanDerWaalsContact O-N 3.1Å; L23-F26 PolarHBondContact O-N 2.9Å; R24-F26 VanDerWaalsContact C-N 3.26Å; R24-F26 PolarHBondContact O-N 3.31Å; F26-D28 VanDerWaalsContact C-N 3.25Å; F26-D28 PolarHBondContact O-N 2.89Å; F26-K29 WeakPolarHBondContact O-CB 3.35Å; F26-K29 PolarHBondContact O-N 2.89Å; F26-K29 VanDerWaalsContact O-N 3.16Å; F26-I80 HydrophobicContact CE1-CG2 3.72Å; F26-I80 HydrophobicContact CZ-CG2 3.85Å; F26-F82 HydrophobicContact CE1-CE1 4.22Å; F26-L112 HydrophobicContact CD1-CB 4.44Å; F26-L112 HydrophobicContact CD1-CD1 3.8Å; F26-L112 HydrophobicContact CD1-CD2 3.64Å; F26-L112 HydrophobicContact CD1-CG 4.16Å; F26-L112 HydrophobicContact CD2-CD1 3.83Å; F26-L112 HydrophobicContact CE1-CB 3.72Å; F26-L112 HydrophobicContact CE1-CD1 3.81Å; F26-L112 HydrophobicContact CE1-CD2 3.69Å; F26-L112 HydrophobicContact CE1-CG 3.94Å; F26-L112 HydrophobicContact CE2-CD1 3.87Å; F26-L112 HydrophobicContact CG-CD1 3.8Å; F26-L112 HydrophobicContact CG-CD2 4.38Å; F26-L112 HydrophobicContact CZ-CB 3.81Å; F26-L112 HydrophobicContact CZ-CD1 3.86Å; F26-L112 HydrophobicContact CZ-CD2 4.5Å; F26-L112 HydrophobicContact CZ-CG 4.26Å; F26-H136 HydrophobicContact CE2-CB 4.33Å; F26-E138 HydrophobicContact CD2-CB 4.04Å; F26-E138 HydrophobicContact CD2-CG 4.24Å; F26-E138 HydrophobicContact CE2-CB 3.96Å; F26-E138 HydrophobicContact CE2-CG 4.16Å
27L97.8Very high96.9Very high0 Ų038.7 Ų38.70%019%0.193CC..Hα-helixtrans-59.8-39.4178-70.3173.9000111.1L23 R24 K29 C30 K34 I36 L55 H58 V60 I80 F82L23-L27 HydrophobicContact CD1-CD1 4.25Å; L23-L27 HydrophobicContact CD1-CG 4.26Å; L23-L27 HydrophobicContact CG-CD1 4.09Å; L23-L27 WeakPolarHBondContact O-CG 3.47Å; L23-L27 PolarHBondContact O-N 2.97Å; R24-L27 PolarHBondContact O-N 3.44Å; R24-L27 VanDerWaalsContact O-N 3.15Å; L27-K29 PolarHBondContact O-N 3.2Å; L27-C30 PolarHBondContact O-N 3.08Å; L27-K34 HydrophobicContact CD2-CD 4.19Å; L27-K34 WeakPolarHBondContact O-CE 2.99Å; L27-I36 HydrophobicContact CD2-CD1 4.47Å; L27-L55 HydrophobicContact CD1-CD2 4.07Å; L27-H58 HydrophobicContact CB-CB 4.01Å; L27-H58 HydrophobicContact CD1-CB 3.91Å; L27-V60 HydrophobicContact CD1-CG2 4.47Å; L27-V60 HydrophobicContact CD2-CG2 4.23Å; L27-I80 HydrophobicContact CD2-CD1 4.07Å; L27-F82 HydrophobicContact CD2-CZ 4.19Å
28D97Very high97Very high95 Ų9536.6 Ų36.651%0.50818%0.183SC..Hα-helixtrans-67.9-21.1-179.9-68.2-20.8000113.3R24 F26 C30 H58R24-D28 WeakPolarHBondContact O-CB 3.41Å; R24-D28 PolarHBondContact O-N 2.94Å; F26-D28 VanDerWaalsContact C-N 3.25Å; F26-D28 PolarHBondContact O-N 2.89Å; D28-C30 VanDerWaalsContact C-N 3.29Å; D28-H58 IonicContact OD1-CE1 4Å; D28-H58 PolarHBondContact OD1-CE1 3.38Å; D28-H58 IonicContact OD1-CG 3.62Å; D28-H58 IonicContact OD1-ND1 3.13Å; D28-H58 PolarHBondContact OD1-ND1 3.44Å; D28-H58 IonicContact OD2-CE1 2.97Å; D28-H58 IonicContact OD2-ND1 2.7Å
29K97.2Very high97Very high103 Ų10336.2 Ų36.245%0.44818%0.179SC..Hα-helixtrans-68-29.2170.1-67.1170.2-174.7178.90112.5E25 F26 L27 A31 E138E25-K29 WeakPolarHBondContact O-CG 3.27Å; E25-K29 PolarHBondContact O-N 3.44Å; F26-K29 WeakPolarHBondContact O-CB 3.35Å; F26-K29 PolarHBondContact O-N 2.89Å; F26-K29 VanDerWaalsContact O-N 3.16Å; L27-K29 PolarHBondContact O-N 3.2Å; K29-A31 PolarHBondContact O-N 3.06Å; K29-E138 WeakPolarHBondContact CD-OE1 3.25Å; K29-E138 IonicContact NZ-OE1 3.2Å; K29-E138 PolarHBondContact NZ-OE1 3.37Å; K29-E138 IonicContact NZ-OE2 3.45Å; K29-E138 PolarHBondContact NZ-OE2 2.88Å
30C96.8Very high97Very high1 Ų142.1 Ų42.11%0.00721%0.207CC..SBendtrans-90.371.4-177.1-54.40000110.6L27 D28 G32 K34 N78 I80L27-C30 PolarHBondContact O-N 3.08Å; D28-C30 VanDerWaalsContact C-N 3.29Å; C30-G32 PolarHBondContact O-N 3.15Å; C30-K34 HydrophobicContact CB-CD 4.44Å; C30-K34 WeakPolarHBondContact O-CE 3.34Å; C30-K34 PolarHBondContact O-NZ 3.41Å; C30-K34 VanDerWaalsContact O-NZ 3.15Å; C30-N78 HydrophobicContact CB-CB 4.41Å; C30-N78 PolarHBondContact O-ND2 3.41Å; C30-I80 HydrophobicContact CB-CD1 3.9Å
31A94.6Very high97Very high59 Ų5942.9 Ų42.949%0.48821%0.21SC..  trans-60.1131-169.700000114.3K29 K77 N78K29-A31 PolarHBondContact O-N 3.06Å; A31-K77 PolarHBondContact O-NZ 2.95Å; A31-N78 PolarHBondContact O-ND2 2.8Å
32G95.7Very high96.9Very high22 Ų2236.6 Ų36.623%0.22719%0.186CC..SBendtrans99.9-174.9179.400000113.2C30 K34 E59 N78C30-G32 PolarHBondContact O-N 3.15Å; G32-K34 WeakPolarHBondContact O-CG 3.21Å; G32-K34 PolarHBondContact O-NZ 2.84Å; G32-E59 VanDerWaalsContact C-OE2 3.31Å; G32-E59 WeakPolarHBondContact CA-OE2 3.38Å; G32-E59 PolarHBondContact N-OE2 3.14Å; G32-E59 VanDerWaalsContact O-OE2 3.05Å; G32-N78 PolarHBondContact O-ND2 2.83Å
33S97.4Very high96.9Very high28 Ų2837 Ų3720%0.19619%0.193CC..  trans-57.9140.1-178.356.30000112.4E61 V76 K77 N78S33-E61 WeakPolarHBondContact CB-OE1 3.4Å; S33-V76 WeakPolarHBondContact OG-CA 3.45Å; S33-K77 PolarHBondContact O-N 3.19Å; S33-K77 PolarHBondContact OG-N 3.45Å; S33-K77 VanDerWaalsContact OG-N 3.13Å; S33-N78 PolarHBondContact O-N 2.91Å; S33-N78 PolarHBondContact O-ND2 2.83Å; S33-N78 VanDerWaalsContact O-ND2 3.08Å
34K98.2Very high96.8Very high1 Ų137.9 Ų37.90%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-128.1143.1-172.5-45.9171-175.252.60110.9L27 C30 G32 H58 E59 V60 E61 N78 I80L27-K34 HydrophobicContact CD2-CD 4.19Å; L27-K34 WeakPolarHBondContact O-CE 2.99Å; C30-K34 HydrophobicContact CB-CD 4.44Å; C30-K34 WeakPolarHBondContact O-CE 3.34Å; C30-K34 PolarHBondContact O-NZ 3.41Å; C30-K34 VanDerWaalsContact O-NZ 3.15Å; G32-K34 WeakPolarHBondContact O-CG 3.21Å; G32-K34 PolarHBondContact O-NZ 2.84Å; K34-H58 WeakPolarHBondContact CD-O 3.26Å; K34-H58 WeakPolarHBondContact CE-O 3.2Å; K34-H58 PolarHBondContact NZ-O 3.18Å; K34-E59 PolarHBondContact N-O 2.88Å; K34-E59 IonicContact NZ-OE2 3.73Å; K34-E59 PolarHBondContact NZ-OE2 3.28Å; K34-V60 HydrophobicContact CB-CG2 4.28Å; K34-V60 HydrophobicContact CD-CG2 4.23Å; K34-E61 PolarHBondContact O-N 2.86Å; K34-N78 CarbonylContact C-O 3.08Å; K34-N78 WeakPolarHBondContact CA-O 3.39Å; K34-N78 HydrophobicContact CB-CB 4.48Å; K34-N78 HydrophobicContact CG-CB 4.23Å; K34-I80 HydrophobicContact CB-CD1 4.3Å; K34-I80 HydrophobicContact CD-CD1 3.98Å; K34-I80 HydrophobicContact CG-CD1 4.33Å
35A97.6Very high96.7Very high0 Ų034.4 Ų34.40%019%0.19CC..EExtended strand (participates in β ladder)trans-115.3135.9156.800000110.3K62 F64 V76 N78 I79 I80A35-K62 VanDerWaalsContact CA-O 3.25Å; A35-K62 WeakPolarHBondContact CA-O 3.42Å; A35-K62 HydrophobicContact CB-CB 3.89Å; A35-F64 HydrophobicContact CB-CD2 4.19Å; A35-F64 HydrophobicContact CB-CE2 3.71Å; A35-V76 HydrophobicContact CB-CG1 4.42Å; A35-V76 HydrophobicContact CB-CG2 3.73Å; A35-N78 PolarHBondContact N-O 2.96Å; A35-I79 HydrophobicContact CB-CD1 3.88Å; A35-I80 PolarHBondContact O-N 2.91Å
36I98Very high96.6Very high0 Ų029.3 Ų29.30%017%0.165CC..EExtended strand (participates in β ladder)trans-96.7130.4172.6-61.6176000109.4L27 W38 L55 V60 K62 M63 F64 I80 F82L27-I36 HydrophobicContact CD2-CD1 4.47Å; I36-W38 HydrophobicContact CB-CZ2 4.42Å; I36-W38 HydrophobicContact CD1-CZ2 4.06Å; I36-W38 HydrophobicContact CG2-CD2 3.77Å; I36-W38 HydrophobicContact CG2-CE3 4.45Å; I36-W38 HydrophobicContact CG2-CG 4.04Å; I36-W38 HydrophobicContact CG2-CH2 4.43Å; I36-W38 HydrophobicContact CG2-CZ2 3.76Å; I36-L55 HydrophobicContact CD1-CD1 4.37Å; I36-L55 HydrophobicContact CD1-CD2 4.23Å; I36-V60 HydrophobicContact CD1-CB 4.48Å; I36-V60 HydrophobicContact CD1-CG1 3.84Å; I36-V60 HydrophobicContact CD1-CG2 3.81Å; I36-V60 HydrophobicContact CG1-CG1 3.87Å; I36-V60 HydrophobicContact CG1-CG2 4.2Å; I36-K62 PolarHBondContact N-O 3.03Å; I36-M63 HydrophobicContact CB-CG 4.48Å; I36-M63 CarbonylContact O-C 3.5Å; I36-M63 VanDerWaalsContact O-CA 3.27Å; I36-M63 WeakPolarHBondContact O-CA 3.43Å; I36-F64 PolarHBondContact O-N 3.3Å; I36-I80 CarbonylContact C-O 3.55Å; I36-I80 WeakPolarHBondContact CA-O 3.46Å; I36-F82 HydrophobicContact CD1-CE1 3.96Å; I36-F82 HydrophobicContact CD1-CE2 4.24Å; I36-F82 HydrophobicContact CD1-CZ 3.78Å; I36-F82 HydrophobicContact CG1-CD1 4.45Å; I36-F82 HydrophobicContact CG1-CE1 4.02Å; I36-F82 HydrophobicContact CG1-CZ 4.36Å; I36-F82 HydrophobicContact CG2-CB 4.12Å; I36-F82 HydrophobicContact CG2-CD1 3.55Å; I36-F82 HydrophobicContact CG2-CD2 4.29Å; I36-F82 HydrophobicContact CG2-CE1 3.97Å; I36-F82 HydrophobicContact CG2-CG 3.74Å
37V98.2Very high96.4Very high0 Ų030.9 Ų30.90%018%0.184CC..EExtended strand (participates in β ladder)trans-105.3115.2170.3-174.20000108F64 L66 L71 I79 I80 F81 F82V37-F64 CarbonylContact C-O 3.55Å; V37-F64 WeakPolarHBondContact CA-O 3.36Å; V37-F64 HydrophobicContact CG2-CD2 4.35Å; V37-L66 HydrophobicContact CG1-CB 3.92Å; V37-L66 HydrophobicContact CG1-CD1 3.82Å; V37-L66 HydrophobicContact CG1-CG 4.5Å; V37-L71 HydrophobicContact CG1-CD2 4.04Å; V37-L71 HydrophobicContact CG2-CD1 4.02Å; V37-L71 HydrophobicContact CG2-CD2 3.84Å; V37-I79 HydrophobicContact CG2-CG2 3.84Å; V37-I80 PolarHBondContact N-O 2.86Å; V37-F81 HydrophobicContact CB-CD1 3.63Å; V37-F81 HydrophobicContact CB-CE1 3.93Å; V37-F81 HydrophobicContact CB-CG 4.37Å; V37-F81 HydrophobicContact CG1-CD1 3.76Å; V37-F81 HydrophobicContact CG1-CE1 3.87Å; V37-F81 HydrophobicContact CG2-CD1 4.2Å; V37-F81 HydrophobicContact CG2-CE1 4.06Å; V37-F81 WeakPolarHBondContact O-CA 3.43Å; V37-F82 PolarHBondContact O-N 3.49Å
38W97.8Very high96.2Very high16 Ų1631.8 Ų31.86%0.06119%0.189CC..EExtended strand (participates in β ladder)trans-96.3126.8-171.8-66.595.7000111.8I36 E40 L42 T43 F46 L55 F64 L66 F82I36-W38 HydrophobicContact CB-CZ2 4.42Å; I36-W38 HydrophobicContact CD1-CZ2 4.06Å; I36-W38 HydrophobicContact CG2-CD2 3.77Å; I36-W38 HydrophobicContact CG2-CE3 4.45Å; I36-W38 HydrophobicContact CG2-CG 4.04Å; I36-W38 HydrophobicContact CG2-CH2 4.43Å; I36-W38 HydrophobicContact CG2-CZ2 3.76Å; W38-E40 PolarHBondContact O-N 3.18Å; W38-E40 VanDerWaalsContact O-N 3.13Å; W38-L42 HydrophobicContact CE3-CB 4.15Å; W38-L42 HydrophobicContact CZ3-CB 4.43Å; W38-T43 HydrophobicContact CB-CG2 3.68Å; W38-T43 HydrophobicContact CD2-CG2 4.12Å; W38-T43 HydrophobicContact CE3-CG2 4.41Å; W38-T43 HydrophobicContact CG-CG2 3.82Å; W38-F46 HydrophobicContact CH2-CB 3.8Å; W38-F46 AromaticContact CH2-CD1 3.67Å; W38-F46 HydrophobicContact CH2-CD1 3.67Å; W38-F46 HydrophobicContact CH2-CD2 4.34Å; W38-F46 HydrophobicContact CH2-CE1 4.28Å; W38-F46 AromaticContact CH2-CG 3.68Å; W38-F46 HydrophobicContact CH2-CG 3.68Å; W38-F46 HydrophobicContact CZ3-CB 3.75Å; W38-F46 AromaticContact CZ3-CD1 3.83Å; W38-F46 HydrophobicContact CZ3-CD1 3.83Å; W38-F46 AromaticContact CZ3-CD2 3.67Å; W38-F46 HydrophobicContact CZ3-CD2 3.67Å; W38-F46 HydrophobicContact CZ3-CE1 4.3Å; W38-F46 HydrophobicContact CZ3-CE2 4.14Å; W38-F46 AromaticContact CZ3-CG 3.47Å; W38-F46 HydrophobicContact CZ3-CG 3.47Å; W38-F46 VanDerWaalsContact CZ3-CG 3.47Å; W38-F46 HydrophobicContact CZ3-CZ 4.42Å; W38-L55 HydrophobicContact CZ2-CD1 4.03Å; W38-F64 PolarHBondContact N-O 3.16Å; W38-L66 WeakPolarHBondContact O-CB 3.49Å; W38-L66 PolarHBondContact O-N 3.45Å; W38-F82 HydrophobicContact CD2-CB 4.47Å; W38-F82 HydrophobicContact CE3-CB 3.87Å; W38-F82 HydrophobicContact CE3-CD2 4.16Å; W38-F82 HydrophobicContact CE3-CG 4.36Å; W38-F82 AromaticContact CH2-CD2 3.6Å; W38-F82 HydrophobicContact CH2-CD2 3.6Å; W38-F82 AromaticContact CH2-CE2 3.96Å; W38-F82 HydrophobicContact CH2-CE2 3.96Å; W38-F82 HydrophobicContact CH2-CG 4.4Å; W38-F82 HydrophobicContact CZ2-CD2 4.38Å; W38-F82 HydrophobicContact CZ3-CB 4.03Å; W38-F82 AromaticContact CZ3-CD2 3.47Å; W38-F82 HydrophobicContact CZ3-CD2 3.47Å; W38-F82 VanDerWaalsContact CZ3-CD2 3.47Å; W38-F82 HydrophobicContact CZ3-CE2 4.28Å; W38-F82 HydrophobicContact CZ3-CG 4.11Å
39D97.3Very high96Very high6 Ų627.3 Ų27.33%0.03217%0.165CC..  trans-51.7116.4145.4172.7-1.2000107.6Y41 L42 F82 V83 R84 L89D39-Y41 PolarHBondContact O-N 2.88Å; D39-Y41 PolarHBondContact OD1-N 2.89Å; D39-L42 HydrophobicContact CB-CD1 4.13Å; D39-L42 HydrophobicContact CB-CG 4.21Å; D39-L42 WeakPolarHBondContact O-CB 3.43Å; D39-L42 PolarHBondContact O-N 2.91Å; D39-F82 WeakPolarHBondContact CB-O 3.21Å; D39-F82 PolarHBondContact N-O 3.2Å; D39-V83 HydrophobicContact CB-CB 4.32Å; D39-V83 HydrophobicContact CB-CG1 4.16Å; D39-R84 IonicContact OD1-CZ 2.85Å; D39-R84 IonicContact OD1-NE 3.45Å; D39-R84 IonicContact OD1-NH2 3.06Å; D39-R84 PolarHBondContact OD1-NH2 3.18Å; D39-R84 WeakPolarHBondContact OD2-CB 3.42Å; D39-R84 WeakPolarHBondContact OD2-CG 3.38Å; D39-R84 IonicContact OD2-CZ 2.76Å; D39-R84 PolarHBondContact OD2-N 3.2Å; D39-R84 IonicContact OD2-NE 3.56Å; D39-R84 PolarHBondContact OD2-NE 3.07Å; D39-R84 IonicContact OD2-NH2 3.07Å; D39-R84 PolarHBondContact OD2-NH2 3.15Å; D39-L89 HydrophobicContact CB-CD1 4.16Å; D39-L89 WeakPolarHBondContact OD2-CD1 3.25Å
40E95.8Very high95.8Very high131 Ų13122.8 Ų22.861%0.61215%0.146SC*.G310 helixtrans-51.9-37.6-169.3-173.8168.9-174.500112W38 L42 T43 T65W38-E40 PolarHBondContact O-N 3.18Å; W38-E40 VanDerWaalsContact O-N 3.13Å; E40-L42 VanDerWaalsContact C-N 3.29Å; E40-L42 PolarHBondContact O-N 2.77Å; E40-T43 WeakPolarHBondContact O-CB 3.4Å; E40-T43 WeakPolarHBondContact O-CG2 3.41Å; E40-T43 PolarHBondContact O-N 2.98Å; E40-T43 PolarHBondContact O-OG1 3.35Å; E40-T65 HydrophobicContact CB-CG2 3.84Å; E40-T65 HydrophobicContact CG-CG2 4.14Å
41Y95.1Very high95.4Very high45 Ų4528.5 Ų28.518%0.17617%0.173CC..G310 helixtrans-58.1-39.4178.1-178.2-99.3000113.3D39 T43 P45 R84 E155 E157D39-Y41 PolarHBondContact O-N 2.88Å; D39-Y41 PolarHBondContact OD1-N 2.89Å; Y41-T43 PolarHBondContact O-N 3.2Å; Y41-P45 HydrophobicContact CE1-CG 4.3Å; Y41-P45 WeakPolarHBondContact O-CD 3.45Å; Y41-R84 VanDerWaalsContact CD1-CZ 3.45Å; Y41-R84 VanDerWaalsContact CD1-NH1 3.33Å; Y41-R84 VanDerWaalsContact CG-NH1 3.26Å; Y41-E155 VanDerWaalsContact OH-C 3.3Å; Y41-E155 PolarHBondContact OH-O 3.28Å; Y41-E157 HydrophobicContact CE2-CG 3.88Å; Y41-E157 WeakPolarHBondContact CE2-OE1 3.44Å; Y41-E157 WeakPolarHBondContact CE2-OE2 3.48Å
42L96.6Very high95.2Very high7 Ų731.1 Ų31.14%0.03717%0.171CC..G310 helixtrans-70.6-18.4-175.2-69.3-179.2000113.1W38 D39 E40 G44 P45 F46 R84 V114W38-L42 HydrophobicContact CE3-CB 4.15Å; W38-L42 HydrophobicContact CZ3-CB 4.43Å; D39-L42 HydrophobicContact CB-CD1 4.13Å; D39-L42 HydrophobicContact CB-CG 4.21Å; D39-L42 WeakPolarHBondContact O-CB 3.43Å; D39-L42 PolarHBondContact O-N 2.91Å; E40-L42 VanDerWaalsContact C-N 3.29Å; E40-L42 PolarHBondContact O-N 2.77Å; L42-G44 VanDerWaalsContact C-N 3.28Å; L42-G44 PolarHBondContact O-N 3.36Å; L42-P45 WeakPolarHBondContact O-CD 3.3Å; L42-F46 HydrophobicContact CB-CD2 4.03Å; L42-F46 HydrophobicContact CB-CE2 4.27Å; L42-F46 HydrophobicContact CD1-CE2 4.36Å; L42-F46 HydrophobicContact CD2-CE2 4.38Å; L42-F46 WeakPolarHBondContact O-CB 3.14Å; L42-F46 WeakPolarHBondContact O-CD2 3.19Å; L42-F46 PolarHBondContact O-N 3.49Å; L42-R84 HydrophobicContact CD1-CG 4.39Å; L42-R84 HydrophobicContact CD2-CG 3.88Å; L42-R84 HydrophobicContact CG-CG 4.17Å; L42-V114 HydrophobicContact CD1-CB 3.94Å; L42-V114 HydrophobicContact CD1-CG2 3.92Å; L42-V114 HydrophobicContact CD2-CB 4.21Å; L42-V114 HydrophobicContact CD2-CG1 4.17Å
43T95.2Very high95.1Very high69 Ų6933 Ų3342%0.42318%0.18SC..Hα-helixtrans-59.8-37.9-178.362.40000112.7W38 E40 Y41 G47W38-T43 HydrophobicContact CB-CG2 3.68Å; W38-T43 HydrophobicContact CD2-CG2 4.12Å; W38-T43 HydrophobicContact CE3-CG2 4.41Å; W38-T43 HydrophobicContact CG-CG2 3.82Å; E40-T43 WeakPolarHBondContact O-CB 3.4Å; E40-T43 WeakPolarHBondContact O-CG2 3.41Å; E40-T43 PolarHBondContact O-N 2.98Å; E40-T43 PolarHBondContact O-OG1 3.35Å; Y41-T43 PolarHBondContact O-N 3.2Å; T43-G47 PolarHBondContact O-N 2.93Å
44G94.2Very high94.9Very high18 Ų1832 Ų3219%0.18617%0.173CC..Hα-helixtrans-67.1-61.7176.800000112.9L42 F46 G47 L48 N258L42-G44 VanDerWaalsContact C-N 3.28Å; L42-G44 PolarHBondContact O-N 3.36Å; G44-F46 VanDerWaalsContact C-N 3.32Å; G44-F46 PolarHBondContact O-N 3.38Å; G44-G47 PolarHBondContact O-N 3.48Å; G44-L48 PolarHBondContact O-N 3.06Å; G44-N258 VanDerWaalsContact C-CG 3.49Å; G44-N258 WeakPolarHBondContact CA-OD1 3.46Å
45P95.3Very high94.8Very high4 Ų432.2 Ų32.23%0.02617%0.174CC..Hα-helixtrans-50.2-45.2174.3-32.739.5000113.9Y41 L42 G47 L48 I145 E155Y41-P45 HydrophobicContact CE1-CG 4.3Å; Y41-P45 WeakPolarHBondContact O-CD 3.45Å; L42-P45 WeakPolarHBondContact O-CD 3.3Å; P45-G47 VanDerWaalsContact C-N 3.33Å; P45-G47 PolarHBondContact O-N 3.49Å; P45-L48 WeakPolarHBondContact O-CB 3.27Å; P45-L48 PolarHBondContact O-N 2.7Å; P45-I145 HydrophobicContact CB-CD1 3.69Å; P45-E155 HydrophobicContact CG-CB 4.04Å; P45-E155 HydrophobicContact CG-CG 4.27Å
46F94.9Very high94.8Very high4 Ų438.5 Ų38.52%0.01820%0.201CC..Hα-helixtrans-67.9-32.4177.2-89.5-101.6000112.7L23 W38 L42 G44 L48 I49 A50 F82 V114 Y140 L142L23-F46 HydrophobicContact CD1-CE1 4.31Å; L23-F46 HydrophobicContact CD2-CD1 4.45Å; L23-F46 HydrophobicContact CD2-CE1 4.26Å; W38-F46 HydrophobicContact CH2-CB 3.8Å; W38-F46 AromaticContact CH2-CD1 3.67Å; W38-F46 HydrophobicContact CH2-CD1 3.67Å; W38-F46 HydrophobicContact CH2-CD2 4.34Å; W38-F46 HydrophobicContact CH2-CE1 4.28Å; W38-F46 AromaticContact CH2-CG 3.68Å; W38-F46 HydrophobicContact CH2-CG 3.68Å; W38-F46 HydrophobicContact CZ3-CB 3.75Å; W38-F46 AromaticContact CZ3-CD1 3.83Å; W38-F46 HydrophobicContact CZ3-CD1 3.83Å; W38-F46 AromaticContact CZ3-CD2 3.67Å; W38-F46 HydrophobicContact CZ3-CD2 3.67Å; W38-F46 HydrophobicContact CZ3-CE1 4.3Å; W38-F46 HydrophobicContact CZ3-CE2 4.14Å; W38-F46 AromaticContact CZ3-CG 3.47Å; W38-F46 HydrophobicContact CZ3-CG 3.47Å; W38-F46 VanDerWaalsContact CZ3-CG 3.47Å; W38-F46 HydrophobicContact CZ3-CZ 4.42Å; L42-F46 HydrophobicContact CB-CD2 4.03Å; L42-F46 HydrophobicContact CB-CE2 4.27Å; L42-F46 HydrophobicContact CD1-CE2 4.36Å; L42-F46 HydrophobicContact CD2-CE2 4.38Å; L42-F46 WeakPolarHBondContact O-CB 3.14Å; L42-F46 WeakPolarHBondContact O-CD2 3.19Å; L42-F46 PolarHBondContact O-N 3.49Å; G44-F46 VanDerWaalsContact C-N 3.32Å; G44-F46 PolarHBondContact O-N 3.38Å; F46-L48 PolarHBondContact O-N 2.76Å; F46-L48 VanDerWaalsContact O-N 3.16Å; F46-I49 CarbonylContact O-C 3.59Å; F46-I49 PolarHBondContact O-N 3.39Å; F46-A50 PolarHBondContact O-N 3.01Å; F46-F82 HydrophobicContact CD1-CD2 4.46Å; F46-F82 HydrophobicContact CD1-CE2 4.41Å; F46-F82 AromaticContact CE1-CD2 3.82Å; F46-F82 HydrophobicContact CE1-CD2 3.82Å; F46-F82 AromaticContact CE1-CE2 3.72Å; F46-F82 HydrophobicContact CE1-CE2 3.72Å; F46-F82 HydrophobicContact CE2-CD2 4.42Å; F46-F82 AromaticContact CZ-CD2 3.77Å; F46-F82 HydrophobicContact CZ-CD2 3.77Å; F46-F82 HydrophobicContact CZ-CE2 4.07Å; F46-V114 HydrophobicContact CE2-CG1 4.08Å; F46-V114 HydrophobicContact CE2-CG2 3.91Å; F46-V114 HydrophobicContact CZ-CG1 4.48Å; F46-V114 HydrophobicContact CZ-CG2 3.88Å; F46-Y140 HydrophobicContact CE1-CD1 4Å; F46-Y140 AromaticContact CE1-CE1 3.55Å; F46-Y140 HydrophobicContact CE1-CE1 3.55Å; F46-Y140 HydrophobicContact CE2-CD1 4.45Å; F46-Y140 HydrophobicContact CE2-CE1 4.41Å; F46-Y140 AromaticContact CZ-CD1 3.51Å; F46-Y140 HydrophobicContact CZ-CD1 3.51Å; F46-Y140 AromaticContact CZ-CE1 3.47Å; F46-Y140 HydrophobicContact CZ-CE1 3.47Å; F46-Y140 VanDerWaalsContact CZ-CE1 3.47Å; F46-L142 HydrophobicContact CD2-CD2 4.26Å; F46-L142 HydrophobicContact CE2-CD2 4.07Å; F46-L142 HydrophobicContact CZ-CD2 4.47Å
47G93.8Very high94.7Very high40 Ų4044.8 Ų44.841%0.41223%0.231SC..Hα-helixtrans-58.8-25.5175.100000113.9T43 G44 P45T43-G47 PolarHBondContact O-N 2.93Å; G44-G47 PolarHBondContact O-N 3.48Å; P45-G47 VanDerWaalsContact C-N 3.33Å; P45-G47 PolarHBondContact O-N 3.49Å
48L93.7Very high94.6Very high19 Ų1946 Ų4610%0.09924%0.237CC..Hα-helixtrans-78.2-29.2174-63.5171.8000112.6G44 P45 F46 I145 F147 N258G44-L48 PolarHBondContact O-N 3.06Å; P45-L48 WeakPolarHBondContact O-CB 3.27Å; P45-L48 PolarHBondContact O-N 2.7Å; F46-L48 PolarHBondContact O-N 2.76Å; F46-L48 VanDerWaalsContact O-N 3.16Å; L48-I145 HydrophobicContact CB-CG2 3.7Å; L48-I145 HydrophobicContact CD1-CG2 3.74Å; L48-I145 HydrophobicContact CG-CG2 4.38Å; L48-F147 HydrophobicContact CD1-CD1 4.11Å; L48-F147 HydrophobicContact CD1-CD2 3.93Å; L48-F147 HydrophobicContact CD1-CE1 3.72Å; L48-F147 HydrophobicContact CD1-CE2 3.46Å; L48-F147 VanDerWaalsContact CD1-CE2 3.46Å; L48-F147 HydrophobicContact CD1-CG 4.21Å; L48-F147 HydrophobicContact CD1-CZ 3.36Å; L48-N258 HydrophobicContact CD1-CB 4.05Å; L48-N258 HydrophobicContact CG-CB 4.33Å
49I93.3Very high94.6Very high1 Ų150 Ų501%0.00526%0.256CS..Hα-helixtrans-91.5-58.2-178.9-59.1-61.7000111.3R16 V19 R20 F46 L142 I145R16-I49 HydrophobicContact CG-CD1 4.21Å; V19-I49 HydrophobicContact CG1-CG2 4.33Å; R20-I49 HydrophobicContact CG-CG2 4.04Å; R20-I49 PolarHBondContact NE-O 3.46Å; R20-I49 PolarHBondContact NH2-O 3.04Å; F46-I49 CarbonylContact O-C 3.59Å; F46-I49 PolarHBondContact O-N 3.39Å; I49-L142 HydrophobicContact CD1-CD1 4Å; I49-L142 HydrophobicContact CG1-CD1 3.78Å; I49-L142 HydrophobicContact CG1-CD2 4.39Å; I49-I145 HydrophobicContact CD1-CB 4.41Å; I49-I145 HydrophobicContact CD1-CG1 4.33Å; I49-I145 HydrophobicContact CD1-CG2 3.91Å; I49-I145 HydrophobicContact CG1-CG1 4.34Å; I49-I145 HydrophobicContact CG1-CG2 4.21Å
50A91.7Very high94.6Very high7 Ų749.7 Ų49.76%0.05825%0.254CS..  trans-122.7116.5-171.300000110.7L23 F46 L54 L55L23-A50 HydrophobicContact CD2-CB 3.78Å; F46-A50 PolarHBondContact O-N 3.01Å; A50-L54 HydrophobicContact CB-CD2 4.1Å; A50-L55 HydrophobicContact CB-CD2 4.39Å
51Q88.1Confident94.7Very high122 Ų12248.2 Ų48.257%0.5725%0.247SC*.  trans-76.9159.5171.1-65.4179.70.200110S53 L54 L55Q51-S53 PolarHBondContact O-N 2.98Å; Q51-S53 VanDerWaalsContact O-N 3.09Å; Q51-L54 WeakPolarHBondContact O-CB 3.3Å; Q51-L54 PolarHBondContact O-N 3.26Å; Q51-L55 PolarHBondContact O-N 2.88Å
52Y90.4Very high94.7Very high113 Ų11351 Ų5144%0.44326%0.26SS..Hα-helixtrans-53.3-33.2178.4176.6-113.1000113.4L54 L55 K56 M63Y52-L54 VanDerWaalsContact C-N 3.32Å; Y52-L54 PolarHBondContact O-N 3.34Å; Y52-L55 PolarHBondContact O-N 3.1Å; Y52-K56 HydrophobicContact CE1-CD 4.08Å; Y52-K56 WeakPolarHBondContact O-CB 2.95Å; Y52-K56 PolarHBondContact O-N 2.97Å; Y52-M63 HydrophobicContact CD2-CE 3.33Å; Y52-M63 HydrophobicContact CD2-SD 4.13Å; Y52-M63 HydrophobicContact CE2-CE 3.65Å; Y52-M63 HydrophobicContact CG-CE 4.35Å
53S93.6Very high94.7Very high61 Ų6154.5 Ų54.543%0.42728%0.277SS..Hα-helixtrans-58.8-41.8175.858.10000112.6Q51 K56 E57Q51-S53 PolarHBondContact O-N 2.98Å; Q51-S53 VanDerWaalsContact O-N 3.09Å; S53-K56 PolarHBondContact O-N 2.75Å; S53-E57 VanDerWaalsContact O-CG 3.31Å; S53-E57 WeakPolarHBondContact O-CG 3.31Å; S53-E57 PolarHBondContact O-N 3.23Å
54L94.4Very high94.7Very high7 Ų752.8 Ų52.84%0.03726%0.264CS..Hα-helixtrans-65.3-44.3177.1-176.4154.7000110.7R20 L23 R24 A50 Q51 Y52 K56 E57 H58R20-L54 HydrophobicContact CB-CD1 4.28Å; R20-L54 HydrophobicContact CG-CD1 3.86Å; L23-L54 HydrophobicContact CD2-CD2 4.3Å; R24-L54 HydrophobicContact CG-CD2 4.44Å; A50-L54 HydrophobicContact CB-CD2 4.1Å; Q51-L54 WeakPolarHBondContact O-CB 3.3Å; Q51-L54 PolarHBondContact O-N 3.26Å; Y52-L54 VanDerWaalsContact C-N 3.32Å; Y52-L54 PolarHBondContact O-N 3.34Å; L54-K56 VanDerWaalsContact C-N 3.31Å; L54-K56 PolarHBondContact O-N 3.32Å; L54-E57 WeakPolarHBondContact O-CB 3.33Å; L54-E57 PolarHBondContact O-N 3.09Å; L54-H58 PolarHBondContact O-CD2 3.48Å
55L96.4Very high94.9Very high6 Ų654.6 Ų54.63%0.03127%0.272CS..Hα-helixtrans-63.4-41.4178.2-60.3178.4000111.1L23 L27 I36 W38 A50 Q51 Y52 E57 H58 V60 M63L23-L55 HydrophobicContact CD2-CD2 4.18Å; L27-L55 HydrophobicContact CD1-CD2 4.07Å; I36-L55 HydrophobicContact CD1-CD1 4.37Å; I36-L55 HydrophobicContact CD1-CD2 4.23Å; W38-L55 HydrophobicContact CZ2-CD1 4.03Å; A50-L55 HydrophobicContact CB-CD2 4.39Å; Q51-L55 PolarHBondContact O-N 2.88Å; Y52-L55 PolarHBondContact O-N 3.1Å; L55-E57 VanDerWaalsContact C-N 3.34Å; L55-E57 PolarHBondContact O-N 3.46Å; L55-H58 CarbonylContact O-C 3.53Å; L55-H58 PolarHBondContact O-N 3.34Å; L55-H58 VanDerWaalsContact O-N 3.09Å; L55-V60 HydrophobicContact CB-CB 3.93Å; L55-V60 HydrophobicContact CB-CG1 4.3Å; L55-V60 HydrophobicContact CB-CG2 4.06Å; L55-V60 VanDerWaalsContact O-CB 3.26Å; L55-V60 WeakPolarHBondContact O-CB 3.49Å; L55-V60 VanDerWaalsContact O-CG2 3.31Å; L55-V60 WeakPolarHBondContact O-CG2 3.45Å; L55-V60 PolarHBondContact O-N 3.42Å; L55-V60 VanDerWaalsContact O-N 3.14Å; L55-M63 HydrophobicContact CD1-SD 3.9Å
56K96Very high95Very high132 Ų13255.2 Ų55.257%0.57428%0.275SS*.Hα-helixtrans-64.2-36.4178.2-172.6177.9179.9-179.60112.7Y52 S53 L54 H58 E59Y52-K56 HydrophobicContact CE1-CD 4.08Å; Y52-K56 WeakPolarHBondContact O-CB 2.95Å; Y52-K56 PolarHBondContact O-N 2.97Å; S53-K56 PolarHBondContact O-N 2.75Å; L54-K56 VanDerWaalsContact C-N 3.31Å; L54-K56 PolarHBondContact O-N 3.32Å; K56-H58 PolarHBondContact O-N 2.99Å; K56-E59 PolarHBondContact O-N 3.01Å
57E96.4Very high95Very high133 Ų13361.6 Ų61.662%0.62130%0.302SS*.Hα-helixtrans-58.6-26.3173.4-76.3164.1-165.300112.5S53 L54 L55S53-E57 VanDerWaalsContact O-CG 3.31Å; S53-E57 WeakPolarHBondContact O-CG 3.31Å; S53-E57 PolarHBondContact O-N 3.23Å; L54-E57 WeakPolarHBondContact O-CB 3.33Å; L54-E57 PolarHBondContact O-N 3.09Å; L55-E57 VanDerWaalsContact C-N 3.34Å; L55-E57 PolarHBondContact O-N 3.46Å
58H96.8Very high94.9Very high26 Ų2661 Ų6112%0.1230%0.296CS..THydrogen-bonded Turntrans-105.432.5178.9-68-92.3000112.6R24 L27 D28 K34 L54 L55 K56 V60R24-H58 WeakPolarHBondContact CD-NE2 2.87Å; R24-H58 WeakPolarHBondContact CG-NE2 3.37Å; L27-H58 HydrophobicContact CB-CB 4.01Å; L27-H58 HydrophobicContact CD1-CB 3.91Å; D28-H58 IonicContact OD1-CE1 4Å; D28-H58 PolarHBondContact OD1-CE1 3.38Å; D28-H58 IonicContact OD1-CG 3.62Å; D28-H58 IonicContact OD1-ND1 3.13Å; D28-H58 PolarHBondContact OD1-ND1 3.44Å; D28-H58 IonicContact OD2-CE1 2.97Å; D28-H58 IonicContact OD2-ND1 2.7Å; K34-H58 WeakPolarHBondContact CD-O 3.26Å; K34-H58 WeakPolarHBondContact CE-O 3.2Å; K34-H58 PolarHBondContact NZ-O 3.18Å; L54-H58 PolarHBondContact O-CD2 3.48Å; L55-H58 CarbonylContact O-C 3.53Å; L55-H58 PolarHBondContact O-N 3.34Å; L55-H58 VanDerWaalsContact O-N 3.09Å; K56-H58 PolarHBondContact O-N 2.99Å; H58-V60 VanDerWaalsContact C-N 3.29Å; H58-V60 PolarHBondContact O-N 2.88Å
59E97.3Very high94.7Very high99 Ų9965.4 Ų65.446%0.46332%0.32SS..THydrogen-bonded Turntrans62.725.2174.4-42.5173.8122.600115.2G32 K34 K56 E61G32-E59 VanDerWaalsContact C-OE2 3.31Å; G32-E59 WeakPolarHBondContact CA-OE2 3.38Å; G32-E59 PolarHBondContact N-OE2 3.14Å; G32-E59 VanDerWaalsContact O-OE2 3.05Å; K34-E59 PolarHBondContact N-O 2.88Å; K34-E59 IonicContact NZ-OE2 3.73Å; K34-E59 PolarHBondContact NZ-OE2 3.28Å; K56-E59 PolarHBondContact O-N 3.01Å; E59-E61 PolarHBondContact O-N 3.35Å
60V97.6Very high94.5Very high0 Ų071.5 Ų71.50%034%0.343CS..EExtended strand (participates in β ladder)trans-79.7107.3168.7-178.10000109.4L27 K34 I36 L55 H58 M63L27-V60 HydrophobicContact CD1-CG2 4.47Å; L27-V60 HydrophobicContact CD2-CG2 4.23Å; K34-V60 HydrophobicContact CB-CG2 4.28Å; K34-V60 HydrophobicContact CD-CG2 4.23Å; I36-V60 HydrophobicContact CD1-CB 4.48Å; I36-V60 HydrophobicContact CD1-CG1 3.84Å; I36-V60 HydrophobicContact CD1-CG2 3.81Å; I36-V60 HydrophobicContact CG1-CG1 3.87Å; I36-V60 HydrophobicContact CG1-CG2 4.2Å; L55-V60 HydrophobicContact CB-CB 3.93Å; L55-V60 HydrophobicContact CB-CG1 4.3Å; L55-V60 HydrophobicContact CB-CG2 4.06Å; L55-V60 VanDerWaalsContact O-CB 3.26Å; L55-V60 WeakPolarHBondContact O-CB 3.49Å; L55-V60 VanDerWaalsContact O-CG2 3.31Å; L55-V60 WeakPolarHBondContact O-CG2 3.45Å; L55-V60 PolarHBondContact O-N 3.42Å; L55-V60 VanDerWaalsContact O-N 3.14Å; H58-V60 VanDerWaalsContact C-N 3.29Å; H58-V60 PolarHBondContact O-N 2.88Å; V60-M63 HydrophobicContact CG1-CG 4.08Å
61E97Very high94.6Very high99 Ų9971.6 Ų71.646%0.46334%0.342SS..EExtended strand (participates in β ladder)trans-96.3-33.4-174.9-64.3-175.3-167.800113S33 K34 E59 V76S33-E61 WeakPolarHBondContact CB-OE1 3.4Å; K34-E61 PolarHBondContact O-N 2.86Å; E59-E61 PolarHBondContact O-N 3.35Å; E61-V76 HydrophobicContact CB-CG1 4.32Å
62K96.5Very high94.7Very high105 Ų10569 Ų6946%0.45734%0.336SS..EExtended strand (participates in β ladder)trans-132.4151.8-176.3-58.9-65.4177.5-1770110.8A35 I36 F64 A74A35-K62 VanDerWaalsContact CA-O 3.25Å; A35-K62 WeakPolarHBondContact CA-O 3.42Å; A35-K62 HydrophobicContact CB-CB 3.89Å; I36-K62 PolarHBondContact N-O 3.03Å; K62-F64 HydrophobicContact CB-CE1 4.32Å; K62-F64 HydrophobicContact CB-CE2 3.94Å; K62-F64 HydrophobicContact CB-CZ 3.64Å; K62-F64 HydrophobicContact CG-CZ 4.21Å; K62-A74 HydrophobicContact CG-CB 4.29Å
63M96.2Very high94.6Very high80 Ų8068.5 Ų68.539%0.39436%0.355SS..EExtended strand (participates in β ladder)trans-138.6135175.2-63.9179.9-63.900108.6I36 Y52 L55 V60I36-M63 HydrophobicContact CB-CG 4.48Å; I36-M63 CarbonylContact O-C 3.5Å; I36-M63 VanDerWaalsContact O-CA 3.27Å; I36-M63 WeakPolarHBondContact O-CA 3.43Å; Y52-M63 HydrophobicContact CD2-CE 3.33Å; Y52-M63 HydrophobicContact CD2-SD 4.13Å; Y52-M63 HydrophobicContact CE2-CE 3.65Å; Y52-M63 HydrophobicContact CG-CE 4.35Å; L55-M63 HydrophobicContact CD1-SD 3.9Å; V60-M63 HydrophobicContact CG1-CG 4.08Å
64F96.1Very high94.4Very high32 Ų3265.9 Ų65.914%0.1434%0.337CS..EExtended strand (participates in β ladder)trans-129.5153.3-178.5-53.3-59.6000110.1A35 I36 V37 W38 K62 P72 A74A35-F64 HydrophobicContact CB-CD2 4.19Å; A35-F64 HydrophobicContact CB-CE2 3.71Å; I36-F64 PolarHBondContact O-N 3.3Å; V37-F64 CarbonylContact C-O 3.55Å; V37-F64 WeakPolarHBondContact CA-O 3.36Å; V37-F64 HydrophobicContact CG2-CD2 4.35Å; W38-F64 PolarHBondContact N-O 3.16Å; K62-F64 HydrophobicContact CB-CE1 4.32Å; K62-F64 HydrophobicContact CB-CE2 3.94Å; K62-F64 HydrophobicContact CB-CZ 3.64Å; K62-F64 HydrophobicContact CG-CZ 4.21Å; F64-P72 HydrophobicContact CD1-CB 3.98Å; F64-P72 HydrophobicContact CD1-CG 3.7Å; F64-P72 HydrophobicContact CE1-CB 3.67Å; F64-P72 HydrophobicContact CE1-CG 3.95Å; F64-P72 HydrophobicContact CG-CG 4.21Å; F64-P72 HydrophobicContact CZ-CB 4.13Å; F64-A74 HydrophobicContact CE2-CB 3.85Å; F64-A74 HydrophobicContact CZ-CB 3.79Å
65T97Very high94.2Very high56 Ų5672.3 Ų72.334%0.34437%0.372SS..EExtended strand (participates in β ladder)trans-83.9135.8166.4-52.60000108.9E40 K67E40-T65 HydrophobicContact CB-CG2 3.84Å; E40-T65 HydrophobicContact CG-CG2 4.14Å; T65-K67 HydrophobicContact CG2-CG 4.39Å; T65-K67 PolarHBondContact O-N 3.13Å
66L97.6Very high94.2Very high17 Ų1772.3 Ų72.39%0.08937%0.372CS..  trans-62.8114.2173.8-17860.8000109.4V37 W38 F81 V83 L89 I92 I93 N96V37-L66 HydrophobicContact CG1-CB 3.92Å; V37-L66 HydrophobicContact CG1-CD1 3.82Å; V37-L66 HydrophobicContact CG1-CG 4.5Å; W38-L66 WeakPolarHBondContact O-CB 3.49Å; W38-L66 PolarHBondContact O-N 3.45Å; L66-F81 HydrophobicContact CD1-CD1 4.09Å; L66-F81 HydrophobicContact CD1-CE1 4.13Å; L66-V83 HydrophobicContact CD2-CG1 3.93Å; L66-L89 HydrophobicContact CD2-CB 4.24Å; L66-L89 HydrophobicContact CD2-CD2 4.06Å; L66-I92 HydrophobicContact CD1-CB 4.43Å; L66-I92 HydrophobicContact CD1-CG2 3.74Å; L66-I92 HydrophobicContact CG-CB 4.42Å; L66-I92 HydrophobicContact CG-CG2 3.85Å; L66-I93 HydrophobicContact CD1-CG1 3.94Å; L66-I93 HydrophobicContact CD2-CD1 4.49Å; L66-I93 HydrophobicContact CD2-CG1 4.04Å; L66-N96 WeakPolarHBondContact CD1-OD1 3.48Å
67K95.3Very high94.2Very high138 Ų13870.5 Ų70.560%0.636%0.364SS*.  trans-141.7155.8177.6-66-173.4178.1-175.70108.3T65 I92 N96T65-K67 HydrophobicContact CG2-CG 4.39Å; T65-K67 PolarHBondContact O-N 3.13Å; K67-I92 VanDerWaalsContact C-CG2 3.41Å; K67-N96 PolarHBondContact O-ND2 2.98Å
68G91Very high94.2Very high28 Ų2864.3 Ų64.329%0.28934%0.335SS..SBendtrans-60.8169175.300000112.7E95G68-E95 VanDerWaalsContact CA-OE2 3.27Å; G68-E95 WeakPolarHBondContact CA-OE2 3.31Å
69N89.5Confident94.2Very high111 Ų11163 Ų6359%0.59433%0.329SS*.SBendtrans69.7-162.2-175.3-48.8-84.8000114.7E95 N96N69-E95 WeakPolarHBondContact CA-OE1 3.47Å; N69-E95 PolarHBondContact N-OE1 2.9Å; N69-E95 PolarHBondContact N-OE2 2.87Å; N69-E95 PolarHBondContact OD1-OE1 2.83Å; N69-N96 PolarHBondContact O-ND2 2.71Å
70R90.3Very high94.3Very high130 Ų13058.3 Ų58.349%0.49131%0.307SS..SBendtrans-69.4138.7-177.8-173-175.1-89.7-167.6-3.1111.5S99 D101R70-S99 PolarHBondContact NE-O 2.93Å; R70-D101 VanDerWaalsContact CZ-CB 3.48Å; R70-D101 IonicContact CZ-OD2 2.76Å; R70-D101 IonicContact NH1-OD2 3.94Å; R70-D101 PolarHBondContact NH1-OD2 3.05Å; R70-D101 IonicContact NH2-OD1 3.46Å; R70-D101 IonicContact NH2-OD2 3.8Å; R70-D101 PolarHBondContact NH2-OD2 3.33Å
71L92.2Very high94.3Very high9 Ų958.3 Ų58.35%0.04731%0.307CS..PPolyproline II helixtrans-61.9148.2170.5-67.5173.1000111.5V37 I79 F81 N96V37-L71 HydrophobicContact CG1-CD2 4.04Å; V37-L71 HydrophobicContact CG2-CD1 4.02Å; V37-L71 HydrophobicContact CG2-CD2 3.84Å; L71-I79 HydrophobicContact CD1-CG2 3.79Å; L71-F81 HydrophobicContact CD1-CZ 4.21Å; L71-N96 HydrophobicContact CD1-CB 4.41Å; L71-N96 HydrophobicContact CD2-CB 4.36Å; L71-N96 HydrophobicContact CG-CB 4.07Å
72P91.5Very high94.4Very high68 Ų6853.6 Ų53.644%0.44229%0.285SS..PPolyproline II helixtrans-55148.4172-23.934.4000111.8F64 A74F64-P72 HydrophobicContact CD1-CB 3.98Å; F64-P72 HydrophobicContact CD1-CG 3.7Å; F64-P72 HydrophobicContact CE1-CB 3.67Å; F64-P72 HydrophobicContact CE1-CG 3.95Å; F64-P72 HydrophobicContact CG-CG 4.21Å; F64-P72 HydrophobicContact CZ-CB 4.13Å; P72-A74 PolarHBondContact O-N 3.02Å
73A88.5Confident94.5Very high101 Ų10148.6 Ų48.684%0.83526%0.263SS*.PPolyproline II helixtrans-60.6126.4178.300000110.9
74A89Confident94.6Very high6 Ų647.1 Ų47.15%0.0525%0.253CS..  trans-139.5124.2177.900000109.2K62 F64 P72 V76 R107K62-A74 HydrophobicContact CG-CB 4.29Å; F64-A74 HydrophobicContact CE2-CB 3.85Å; F64-A74 HydrophobicContact CZ-CB 3.79Å; P72-A74 PolarHBondContact O-N 3.02Å; A74-V76 HydrophobicContact CB-CG1 4.34Å; A74-V76 HydrophobicContact CB-CG2 3.89Å; A74-V76 PolarHBondContact O-N 2.85Å; A74-R107 VanDerWaalsContact O-CZ 3.23Å; A74-R107 PolarHBondContact O-NE 3.06Å; A74-R107 PolarHBondContact O-NH2 3.22Å
75D91.2Very high94.6Very high143 Ų14347.6 Ų47.677%0.76526%0.26SS*.  trans-82.367.2175.1-167.422.3000109.9
76V94.7Very high94.5Very high6 Ų649.9 Ų49.94%0.03626%0.262CS..  trans-128.3149.1-177.9-58.30000110.9S33 A35 E61 A74 I79S33-V76 WeakPolarHBondContact OG-CA 3.45Å; A35-V76 HydrophobicContact CB-CG1 4.42Å; A35-V76 HydrophobicContact CB-CG2 3.73Å; E61-V76 HydrophobicContact CB-CG1 4.32Å; A74-V76 HydrophobicContact CB-CG1 4.34Å; A74-V76 HydrophobicContact CB-CG2 3.89Å; A74-V76 PolarHBondContact O-N 2.85Å; V76-I79 HydrophobicContact CG2-CD1 3.55Å
77K95.7Very high94.4Very high94 Ų9453.1 Ų53.141%0.40928%0.279SS..SBendtrans-76.9-41.8177.2-178.6-177.8167.4-151.90112.3A31 S33 R107 D108A31-K77 PolarHBondContact O-NZ 2.95Å; S33-K77 PolarHBondContact O-N 3.19Å; S33-K77 PolarHBondContact OG-N 3.45Å; S33-K77 VanDerWaalsContact OG-N 3.13Å; K77-R107 WeakPolarHBondContact O-CA 3.31Å; K77-D108 VanDerWaalsContact CE-OD2 3.28Å; K77-D108 WeakPolarHBondContact CE-OD2 3.33Å; K77-D108 IonicContact NZ-OD2 3.34Å; K77-D108 PolarHBondContact O-N 2.86Å
78N97.8Very high94.4Very high2 Ų251.3 Ų51.31%0.01127%0.273CS..EExtended strand (participates in β ladder)trans-112.2132.1-171.8-52.2-89.5000111C30 A31 G32 S33 K34 A35 D108 H110C30-N78 HydrophobicContact CB-CB 4.41Å; C30-N78 PolarHBondContact O-ND2 3.41Å; A31-N78 PolarHBondContact O-ND2 2.8Å; G32-N78 PolarHBondContact O-ND2 2.83Å; S33-N78 PolarHBondContact O-N 2.91Å; S33-N78 PolarHBondContact O-ND2 2.83Å; S33-N78 VanDerWaalsContact O-ND2 3.08Å; K34-N78 CarbonylContact C-O 3.08Å; K34-N78 WeakPolarHBondContact CA-O 3.39Å; K34-N78 HydrophobicContact CB-CB 4.48Å; K34-N78 HydrophobicContact CG-CB 4.23Å; A35-N78 PolarHBondContact N-O 2.96Å; N78-D108 CarbonylContact C-O 3.53Å; N78-D108 WeakPolarHBondContact CA-O 3.12Å; N78-H110 PolarHBondContact OD1-NE2 3.41Å
79I97.5Very high94.8Very high0 Ų050.6 Ų50.60%026%0.262CS..EExtended strand (participates in β ladder)trans-111.3120.5169.7-57.8-60.3000108.2A35 V37 L71 V76 F81 R107 D108 F109 H110A35-I79 HydrophobicContact CB-CD1 3.88Å; V37-I79 HydrophobicContact CG2-CG2 3.84Å; L71-I79 HydrophobicContact CD1-CG2 3.79Å; V76-I79 HydrophobicContact CG2-CD1 3.55Å; I79-F81 HydrophobicContact CG2-CD2 4.46Å; I79-F81 HydrophobicContact CG2-CE2 3.92Å; I79-F81 HydrophobicContact CG2-CZ 4.04Å; I79-R107 HydrophobicContact CG1-CB 4.24Å; I79-D108 PolarHBondContact N-O 3.36Å; I79-F109 HydrophobicContact CB-CD1 3.72Å; I79-F109 HydrophobicContact CB-CE1 3.91Å; I79-F109 HydrophobicContact CG1-CD1 4.33Å; I79-F109 HydrophobicContact CG1-CE1 4.06Å; I79-F109 HydrophobicContact CG2-CD1 3.97Å; I79-F109 HydrophobicContact CG2-CE1 4.07Å; I79-F109 WeakPolarHBondContact O-CA 3.32Å; I79-H110 PolarHBondContact O-N 3.26Å
80I98.4Very high95.2Very high0 Ų045.3 Ų45.30%023%0.234CC..EExtended strand (participates in β ladder)trans-119.3117.1-175.7-44.5176.7000110.2F26 L27 C30 K34 A35 I36 V37 F82 H110F26-I80 HydrophobicContact CE1-CG2 3.72Å; F26-I80 HydrophobicContact CZ-CG2 3.85Å; L27-I80 HydrophobicContact CD2-CD1 4.07Å; C30-I80 HydrophobicContact CB-CD1 3.9Å; K34-I80 HydrophobicContact CB-CD1 4.3Å; K34-I80 HydrophobicContact CD-CD1 3.98Å; K34-I80 HydrophobicContact CG-CD1 4.33Å; A35-I80 PolarHBondContact O-N 2.91Å; I36-I80 CarbonylContact C-O 3.55Å; I36-I80 WeakPolarHBondContact CA-O 3.46Å; V37-I80 PolarHBondContact N-O 2.86Å; I80-F82 HydrophobicContact CB-CD1 4.37Å; I80-F82 HydrophobicContact CB-CE1 4.07Å; I80-F82 HydrophobicContact CG2-CD1 3.77Å; I80-F82 HydrophobicContact CG2-CE1 3.47Å; I80-F82 VanDerWaalsContact CG2-CE1 3.47Å; I80-H110 WeakPolarHBondContact CA-O 3.44Å; I80-H110 HydrophobicContact CB-CB 4.4Å; I80-H110 HydrophobicContact CG1-CB 4.17Å; I80-H110 HydrophobicContact CG2-CB 4Å
81F98.5Very high95.5Very high0 Ų042 Ų420%023%0.226CC..EExtended strand (participates in β ladder)trans-86.9117.4175.9-62.4-89.1000110.2V37 L66 L71 I79 V83 I93 N96 V97 F109 H110 I111 L112 F134V37-F81 HydrophobicContact CB-CD1 3.63Å; V37-F81 HydrophobicContact CB-CE1 3.93Å; V37-F81 HydrophobicContact CB-CG 4.37Å; V37-F81 HydrophobicContact CG1-CD1 3.76Å; V37-F81 HydrophobicContact CG1-CE1 3.87Å; V37-F81 HydrophobicContact CG2-CD1 4.2Å; V37-F81 HydrophobicContact CG2-CE1 4.06Å; V37-F81 WeakPolarHBondContact O-CA 3.43Å; L66-F81 HydrophobicContact CD1-CD1 4.09Å; L66-F81 HydrophobicContact CD1-CE1 4.13Å; L71-F81 HydrophobicContact CD1-CZ 4.21Å; I79-F81 HydrophobicContact CG2-CD2 4.46Å; I79-F81 HydrophobicContact CG2-CE2 3.92Å; I79-F81 HydrophobicContact CG2-CZ 4.04Å; F81-V83 HydrophobicContact CB-CG1 4.23Å; F81-I93 HydrophobicContact CB-CD1 4.31Å; F81-I93 HydrophobicContact CD1-CD1 4.43Å; F81-I93 HydrophobicContact CD1-CG1 3.82Å; F81-I93 HydrophobicContact CD1-CG2 4.27Å; F81-I93 HydrophobicContact CD2-CG2 4.23Å; F81-I93 HydrophobicContact CE1-CG1 4.2Å; F81-I93 HydrophobicContact CE1-CG2 4.23Å; F81-I93 HydrophobicContact CE2-CG2 4.16Å; F81-I93 HydrophobicContact CG-CD1 4.45Å; F81-I93 HydrophobicContact CG-CG1 4.26Å; F81-I93 HydrophobicContact CG-CG2 4.26Å; F81-I93 HydrophobicContact CZ-CG2 4.18Å; F81-N96 HydrophobicContact CE1-CB 4.27Å; F81-N96 HydrophobicContact CZ-CB 4.18Å; F81-V97 HydrophobicContact CE2-CG2 4.21Å; F81-V97 HydrophobicContact CZ-CG2 4.28Å; F81-F109 AromaticContact CE2-CD1 3.78Å; F81-F109 HydrophobicContact CE2-CD1 3.78Å; F81-F109 HydrophobicContact CE2-CE1 4.4Å; F81-F109 HydrophobicContact CZ-CD1 4.4Å; F81-H110 WeakPolarHBondContact CD2-O 3.39Å; F81-H110 PolarHBondContact N-O 2.81Å; F81-I111 HydrophobicContact CB-CG1 4.32Å; F81-L112 PolarHBondContact O-N 2.67Å; F81-F134 AromaticContact CD2-CE1 3.76Å; F81-F134 HydrophobicContact CD2-CE1 3.76Å; F81-F134 HydrophobicContact CD2-CZ 4.44Å; F81-F134 AromaticContact CE2-CE1 3.93Å; F81-F134 HydrophobicContact CE2-CE1 3.93Å; F81-F134 HydrophobicContact CE2-CZ 4.39Å
82F98.4Very high95.8Very high0 Ų043.9 Ų43.90%024%0.236CC..EExtended strand (participates in β ladder)trans-100.1108.2174.3-81.544000107.6L23 F26 L27 I36 V37 W38 D39 F46 I80 L112L23-F82 HydrophobicContact CD1-CE2 3.77Å; L23-F82 HydrophobicContact CD1-CZ 3.87Å; F26-F82 HydrophobicContact CE1-CE1 4.22Å; L27-F82 HydrophobicContact CD2-CZ 4.19Å; I36-F82 HydrophobicContact CD1-CE1 3.96Å; I36-F82 HydrophobicContact CD1-CE2 4.24Å; I36-F82 HydrophobicContact CD1-CZ 3.78Å; I36-F82 HydrophobicContact CG1-CD1 4.45Å; I36-F82 HydrophobicContact CG1-CE1 4.02Å; I36-F82 HydrophobicContact CG1-CZ 4.36Å; I36-F82 HydrophobicContact CG2-CB 4.12Å; I36-F82 HydrophobicContact CG2-CD1 3.55Å; I36-F82 HydrophobicContact CG2-CD2 4.29Å; I36-F82 HydrophobicContact CG2-CE1 3.97Å; I36-F82 HydrophobicContact CG2-CG 3.74Å; V37-F82 PolarHBondContact O-N 3.49Å; W38-F82 HydrophobicContact CD2-CB 4.47Å; W38-F82 HydrophobicContact CE3-CB 3.87Å; W38-F82 HydrophobicContact CE3-CD2 4.16Å; W38-F82 HydrophobicContact CE3-CG 4.36Å; W38-F82 AromaticContact CH2-CD2 3.6Å; W38-F82 HydrophobicContact CH2-CD2 3.6Å; W38-F82 AromaticContact CH2-CE2 3.96Å; W38-F82 HydrophobicContact CH2-CE2 3.96Å; W38-F82 HydrophobicContact CH2-CG 4.4Å; W38-F82 HydrophobicContact CZ2-CD2 4.38Å; W38-F82 HydrophobicContact CZ3-CB 4.03Å; W38-F82 AromaticContact CZ3-CD2 3.47Å; W38-F82 HydrophobicContact CZ3-CD2 3.47Å; W38-F82 VanDerWaalsContact CZ3-CD2 3.47Å; W38-F82 HydrophobicContact CZ3-CE2 4.28Å; W38-F82 HydrophobicContact CZ3-CG 4.11Å; D39-F82 WeakPolarHBondContact CB-O 3.21Å; D39-F82 PolarHBondContact N-O 3.2Å; F46-F82 HydrophobicContact CD1-CD2 4.46Å; F46-F82 HydrophobicContact CD1-CE2 4.41Å; F46-F82 AromaticContact CE1-CD2 3.82Å; F46-F82 HydrophobicContact CE1-CD2 3.82Å; F46-F82 AromaticContact CE1-CE2 3.72Å; F46-F82 HydrophobicContact CE1-CE2 3.72Å; F46-F82 HydrophobicContact CE2-CD2 4.42Å; F46-F82 AromaticContact CZ-CD2 3.77Å; F46-F82 HydrophobicContact CZ-CD2 3.77Å; F46-F82 HydrophobicContact CZ-CE2 4.07Å; I80-F82 HydrophobicContact CB-CD1 4.37Å; I80-F82 HydrophobicContact CB-CE1 4.07Å; I80-F82 HydrophobicContact CG2-CD1 3.77Å; I80-F82 HydrophobicContact CG2-CE1 3.47Å; I80-F82 VanDerWaalsContact CG2-CE1 3.47Å; F82-L112 HydrophobicContact CD1-CB 4.14Å; F82-L112 HydrophobicContact CD1-CD2 4.3Å; F82-L112 HydrophobicContact CD2-CD2 4.14Å; F82-L112 HydrophobicContact CE1-CB 4.28Å; F82-L112 HydrophobicContact CE1-CD2 3.94Å; F82-L112 HydrophobicContact CE2-CD2 3.76Å; F82-L112 HydrophobicContact CG-CD2 4.4Å; F82-L112 HydrophobicContact CZ-CD2 3.64Å
83V98.4Very high96.1Very high0 Ų040.6 Ų40.60%021%0.214CC..EExtended strand (participates in β ladder)trans-142.8147.1-167.3-62.30000113.3D39 L66 F81 L89 M90 I93 I111 L112 F113 V114D39-V83 HydrophobicContact CB-CB 4.32Å; D39-V83 HydrophobicContact CB-CG1 4.16Å; L66-V83 HydrophobicContact CD2-CG1 3.93Å; F81-V83 HydrophobicContact CB-CG1 4.23Å; V83-L89 HydrophobicContact CB-CD1 4.25Å; V83-M90 HydrophobicContact CG2-CE 3.97Å; V83-I93 HydrophobicContact CB-CD1 4.47Å; V83-I93 HydrophobicContact CG1-CD1 3.84Å; V83-I93 HydrophobicContact CG2-CD1 4.12Å; V83-I111 HydrophobicContact CG2-CD1 3.78Å; V83-I111 HydrophobicContact CG2-CG1 3.84Å; V83-L112 PolarHBondContact N-O 3.44Å; V83-L112 VanDerWaalsContact N-O 3.1Å; V83-F113 HydrophobicContact CG2-CD1 4.08Å; V83-F113 HydrophobicContact CG2-CE1 4.24Å; V83-F113 CarbonylContact O-C 3.58Å; V83-F113 WeakPolarHBondContact O-CA 3.43Å; V83-V114 PolarHBondContact O-N 2.9Å
84R97.2Very high96.6Very high48 Ų4836 Ų3618%0.18118%0.176CC..  trans-69.6154.9163.8-70.3173.8-66.4170.93.5110.4D39 Y41 L42 R86 L89 V114D39-R84 IonicContact OD1-CZ 2.85Å; D39-R84 IonicContact OD1-NE 3.45Å; D39-R84 IonicContact OD1-NH2 3.06Å; D39-R84 PolarHBondContact OD1-NH2 3.18Å; D39-R84 WeakPolarHBondContact OD2-CB 3.42Å; D39-R84 WeakPolarHBondContact OD2-CG 3.38Å; D39-R84 IonicContact OD2-CZ 2.76Å; D39-R84 PolarHBondContact OD2-N 3.2Å; D39-R84 IonicContact OD2-NE 3.56Å; D39-R84 PolarHBondContact OD2-NE 3.07Å; D39-R84 IonicContact OD2-NH2 3.07Å; D39-R84 PolarHBondContact OD2-NH2 3.15Å; Y41-R84 VanDerWaalsContact CD1-CZ 3.45Å; Y41-R84 VanDerWaalsContact CD1-NH1 3.33Å; Y41-R84 VanDerWaalsContact CG-NH1 3.26Å; L42-R84 HydrophobicContact CD1-CG 4.39Å; L42-R84 HydrophobicContact CD2-CG 3.88Å; L42-R84 HydrophobicContact CG-CG 4.17Å; R84-R86 HydrophobicContact CB-CG 4.28Å; R84-R86 PolarHBondContact O-N 3.42Å; R84-L89 HydrophobicContact CB-CD1 4.49Å; R84-V114 WeakPolarHBondContact CA-O 3.48Å
85P96.1Very high96.9Very high42 Ų4239.2 Ų39.227%0.27319%0.19SC..SBendtrans-75.659.9179.731.9-37.2000112.9F113 V114 R116P85-F113 HydrophobicContact CB-CD1 4.29Å; P85-V114 VanDerWaalsContact CD-O 3.23Å; P85-V114 WeakPolarHBondContact CD-O 3.2Å; P85-R116 HydrophobicContact CG-CG 4.3Å
86R95.3Very high97.2Very high104 Ų10432.5 Ų32.539%0.39215%0.154SC..  trans-107.8134.1178.8-63.3-178.666.9147.2-0.4111.1R84 E88 L89R84-R86 HydrophobicContact CB-CG 4.28Å; R84-R86 PolarHBondContact O-N 3.42Å; R86-E88 VanDerWaalsContact C-N 3.35Å; R86-E88 HydrophobicContact CB-CG 4.15Å; R86-E88 IonicContact CZ-OE1 2.68Å; R86-E88 IonicContact CZ-OE2 3.37Å; R86-E88 IonicContact NE-OE1 3.34Å; R86-E88 PolarHBondContact NE-OE1 3.15Å; R86-E88 IonicContact NE-OE2 3.03Å; R86-E88 PolarHBondContact NE-OE2 3.23Å; R86-E88 IonicContact NH2-OE1 3.93Å; R86-E88 PolarHBondContact NH2-OE1 3.41Å; R86-E88 IonicContact NH2-OE2 2.76Å; R86-E88 PolarHBondContact NH2-OE2 2.95Å; R86-E88 PolarHBondContact O-N 2.74Å; R86-L89 HydrophobicContact CB-CD1 4.06Å; R86-L89 HydrophobicContact CB-CG 4.03Å; R86-L89 PolarHBondContact O-N 3.26Å
87L96.3Very high97.2Very high86 Ų8632.9 Ų32.945%0.4516%0.157SC..Hα-helixtrans-61.2-41-177.8-67.8178.9000112.9L89 M90 D91 L120 R124L87-L89 PolarHBondContact O-N 3.4Å; L87-M90 VanDerWaalsContact O-CB 3.31Å; L87-M90 WeakPolarHBondContact O-CB 3.44Å; L87-M90 PolarHBondContact O-N 3.1Å; L87-D91 PolarHBondContact O-N 3.43Å; L87-L120 HydrophobicContact CD2-CB 4.04Å; L87-R124 HydrophobicContact CD2-CB 3.98Å; L87-R124 HydrophobicContact CD2-CG 4.46Å
88E95.7Very high97.2Very high99 Ų9933.8 Ų33.846%0.46317%0.165SC..Hα-helixtrans-57.8-31.7177.868.6-161.1-142.800113.1R86 M90R86-E88 VanDerWaalsContact C-N 3.35Å; R86-E88 HydrophobicContact CB-CG 4.15Å; R86-E88 IonicContact CZ-OE1 2.68Å; R86-E88 IonicContact CZ-OE2 3.37Å; R86-E88 IonicContact NE-OE1 3.34Å; R86-E88 PolarHBondContact NE-OE1 3.15Å; R86-E88 IonicContact NE-OE2 3.03Å; R86-E88 PolarHBondContact NE-OE2 3.23Å; R86-E88 IonicContact NH2-OE1 3.93Å; R86-E88 PolarHBondContact NH2-OE1 3.41Å; R86-E88 IonicContact NH2-OE2 2.76Å; R86-E88 PolarHBondContact NH2-OE2 2.95Å; R86-E88 PolarHBondContact O-N 2.74Å; E88-M90 VanDerWaalsContact C-N 3.33Å
89L97.8Very high96.9Very high13 Ų1335.7 Ų35.77%0.06818%0.179CC..Hα-helixtrans-74-28.5177.6-59.9179.7000111.3D39 L66 V83 R84 R86 L87 D91 I92 I93D39-L89 HydrophobicContact CB-CD1 4.16Å; D39-L89 WeakPolarHBondContact OD2-CD1 3.25Å; L66-L89 HydrophobicContact CD2-CB 4.24Å; L66-L89 HydrophobicContact CD2-CD2 4.06Å; V83-L89 HydrophobicContact CB-CD1 4.25Å; R84-L89 HydrophobicContact CB-CD1 4.49Å; R86-L89 HydrophobicContact CB-CD1 4.06Å; R86-L89 HydrophobicContact CB-CG 4.03Å; R86-L89 PolarHBondContact O-N 3.26Å; L87-L89 PolarHBondContact O-N 3.4Å; L89-D91 VanDerWaalsContact C-N 3.3Å; L89-D91 PolarHBondContact O-N 2.82Å; L89-I92 HydrophobicContact CD2-CD1 4.42Å; L89-I92 PolarHBondContact O-N 3.09Å; L89-I93 WeakPolarHBondContact O-CD1 3.48Å; L89-I93 WeakPolarHBondContact O-CG1 3.46Å; L89-I93 PolarHBondContact O-N 2.95Å
90M98.4Very high96.4Very high0 Ų037.3 Ų37.30%019%0.186CC..Hα-helixtrans-68.1-33.7179.1-56.9-57.1100.700111.4V83 L87 E88 I93 A94 I111 F113 C121 R124 L125V83-M90 HydrophobicContact CG2-CE 3.97Å; L87-M90 VanDerWaalsContact O-CB 3.31Å; L87-M90 WeakPolarHBondContact O-CB 3.44Å; L87-M90 PolarHBondContact O-N 3.1Å; E88-M90 VanDerWaalsContact C-N 3.33Å; M90-I93 HydrophobicContact CE-CD1 3.57Å; M90-I93 PolarHBondContact O-N 3.32Å; M90-I93 HydrophobicContact SD-CD1 4.28Å; M90-A94 WeakPolarHBondContact O-CB 3.5Å; M90-A94 PolarHBondContact O-N 2.71Å; M90-I111 HydrophobicContact CE-CD1 4.31Å; M90-I111 HydrophobicContact SD-CD1 4.2Å; M90-F113 HydrophobicContact CE-CE1 3.98Å; M90-F113 HydrophobicContact SD-CE1 3.98Å; M90-F113 HydrophobicContact SD-CZ 4.16Å; M90-C121 HydrophobicContact CG-CB 3.78Å; M90-C121 HydrophobicContact SD-CB 3.69Å; M90-R124 HydrophobicContact CB-CB 4.28Å; M90-R124 HydrophobicContact CB-CG 3.89Å; M90-L125 HydrophobicContact CB-CD2 3.95Å; M90-L125 HydrophobicContact CB-CG 4.15Å; M90-L125 HydrophobicContact CG-CD2 4.49Å; M90-L125 HydrophobicContact CG-CG 4.28Å; M90-L125 HydrophobicContact SD-CD1 3.77Å; M90-L125 HydrophobicContact SD-CD2 4.09Å; M90-L125 HydrophobicContact SD-CG 3.83Å
91D97.9Very high95.4Very high61 Ų6140.2 Ų40.233%0.32620%0.202SC..Hα-helixtrans-62.4-45.9174.9-65-38.9000111L87 L89 A94 E95 R124 L128L87-D91 PolarHBondContact O-N 3.43Å; L89-D91 VanDerWaalsContact C-N 3.3Å; L89-D91 PolarHBondContact O-N 2.82Å; D91-A94 PolarHBondContact O-N 2.96Å; D91-E95 PolarHBondContact O-N 3.44Å; D91-R124 IonicContact OD1-CZ 2.65Å; D91-R124 IonicContact OD1-NE 3.53Å; D91-R124 PolarHBondContact OD1-NE 2.78Å; D91-R124 IonicContact OD1-NH2 3.88Å; D91-R124 PolarHBondContact OD1-NH2 2.68Å; D91-R124 IonicContact OD2-NH2 3.72Å; D91-L128 WeakPolarHBondContact OD1-CD1 3.41Å
92I98.1Very high94.4Very high48 Ų4851.5 Ų51.525%0.24624%0.244CC..Hα-helixtrans-65.4-44.4178.3-56.5171.1000111L66 K67 L89 A94 E95 N96L66-I92 HydrophobicContact CD1-CB 4.43Å; L66-I92 HydrophobicContact CD1-CG2 3.74Å; L66-I92 HydrophobicContact CG-CB 4.42Å; L66-I92 HydrophobicContact CG-CG2 3.85Å; K67-I92 VanDerWaalsContact C-CG2 3.41Å; L89-I92 HydrophobicContact CD2-CD1 4.42Å; L89-I92 PolarHBondContact O-N 3.09Å; I92-A94 VanDerWaalsContact C-N 3.33Å; I92-A94 PolarHBondContact O-N 3.25Å; I92-E95 WeakPolarHBondContact O-CB 3.33Å; I92-E95 PolarHBondContact O-N 3.4Å; I92-N96 PolarHBondContact O-N 3.15Å; I92-N96 PolarHBondContact O-OD1 3.38Å
93I98.1Very high93.4Very high0 Ų062.8 Ų62.80%029%0.287CS..Hα-helixtrans-61.2-43.6177.6-69.1167.6000110.7L66 F81 V83 L89 M90 E95 N96 V97 I111 L125 F134L66-I93 HydrophobicContact CD1-CG1 3.94Å; L66-I93 HydrophobicContact CD2-CD1 4.49Å; L66-I93 HydrophobicContact CD2-CG1 4.04Å; F81-I93 HydrophobicContact CB-CD1 4.31Å; F81-I93 HydrophobicContact CD1-CD1 4.43Å; F81-I93 HydrophobicContact CD1-CG1 3.82Å; F81-I93 HydrophobicContact CD1-CG2 4.27Å; F81-I93 HydrophobicContact CD2-CG2 4.23Å; F81-I93 HydrophobicContact CE1-CG1 4.2Å; F81-I93 HydrophobicContact CE1-CG2 4.23Å; F81-I93 HydrophobicContact CE2-CG2 4.16Å; F81-I93 HydrophobicContact CG-CD1 4.45Å; F81-I93 HydrophobicContact CG-CG1 4.26Å; F81-I93 HydrophobicContact CG-CG2 4.26Å; F81-I93 HydrophobicContact CZ-CG2 4.18Å; V83-I93 HydrophobicContact CB-CD1 4.47Å; V83-I93 HydrophobicContact CG1-CD1 3.84Å; V83-I93 HydrophobicContact CG2-CD1 4.12Å; L89-I93 WeakPolarHBondContact O-CD1 3.48Å; L89-I93 WeakPolarHBondContact O-CG1 3.46Å; L89-I93 PolarHBondContact O-N 2.95Å; M90-I93 HydrophobicContact CE-CD1 3.57Å; M90-I93 PolarHBondContact O-N 3.32Å; M90-I93 HydrophobicContact SD-CD1 4.28Å; I93-E95 VanDerWaalsContact C-N 3.31Å; I93-E95 PolarHBondContact O-N 3.48Å; I93-N96 WeakPolarHBondContact O-CB 3.35Å; I93-N96 PolarHBondContact O-N 3.29Å; I93-V97 HydrophobicContact CG2-CG2 4.46Å; I93-V97 WeakPolarHBondContact O-CG2 3.41Å; I93-V97 PolarHBondContact O-N 3.3Å; I93-I111 HydrophobicContact CD1-CD1 3.96Å; I93-L125 HydrophobicContact CG2-CD2 4.29Å; I93-F134 HydrophobicContact CG2-CE1 4.29Å; I93-F134 HydrophobicContact CG2-CE2 4.44Å; I93-F134 HydrophobicContact CG2-CZ 3.54Å
94A97.5Very high92.2Very high3 Ų364.4 Ų64.43%0.02530%0.304CS..Hα-helixtrans-61.8-42.3177.300000111.4M90 D91 I92 N96 V97 L98 L128 V130M90-A94 WeakPolarHBondContact O-CB 3.5Å; M90-A94 PolarHBondContact O-N 2.71Å; D91-A94 PolarHBondContact O-N 2.96Å; I92-A94 VanDerWaalsContact C-N 3.33Å; I92-A94 PolarHBondContact O-N 3.25Å; A94-N96 PolarHBondContact O-N 3.19Å; A94-V97 PolarHBondContact O-N 3.28Å; A94-L98 WeakPolarHBondContact O-CB 3.34Å; A94-L98 WeakPolarHBondContact O-CG 3.4Å; A94-L98 PolarHBondContact O-N 3.25Å; A94-L128 HydrophobicContact CB-CB 3.88Å; A94-L128 HydrophobicContact CB-CD1 3.55Å; A94-L128 HydrophobicContact CB-CG 4.27Å; A94-V130 HydrophobicContact CB-CB 4.49Å; A94-V130 HydrophobicContact CB-CG1 4.1Å; A94-V130 HydrophobicContact CB-CG2 3.63Å
95E96.8Very high91.3Very high75 Ų7566.5 Ų66.535%0.3532%0.323SS..Hα-helixtrans-59-44.6174.2-166.5-169.9167.800111.9G68 N69 D91 I92 I93 L98 S99G68-E95 VanDerWaalsContact CA-OE2 3.27Å; G68-E95 WeakPolarHBondContact CA-OE2 3.31Å; N69-E95 WeakPolarHBondContact CA-OE1 3.47Å; N69-E95 PolarHBondContact N-OE1 2.9Å; N69-E95 PolarHBondContact N-OE2 2.87Å; N69-E95 PolarHBondContact OD1-OE1 2.83Å; D91-E95 PolarHBondContact O-N 3.44Å; I92-E95 WeakPolarHBondContact O-CB 3.33Å; I92-E95 PolarHBondContact O-N 3.4Å; I93-E95 VanDerWaalsContact C-N 3.31Å; I93-E95 PolarHBondContact O-N 3.48Å; E95-L98 PolarHBondContact O-N 2.93Å; E95-S99 WeakPolarHBondContact O-CB 3.43Å; E95-S99 PolarHBondContact O-N 3.36Å; E95-S99 PolarHBondContact O-OG 3.32Å
96N96.5Very high90.8Very high1 Ų171 Ų711%0.00535%0.35CS..Hα-helixtrans-58.9-49.8176.4-65.4154.8000111.9L66 K67 N69 L71 F81 I92 I93 A94 L98 S99 E100L66-N96 WeakPolarHBondContact CD1-OD1 3.48Å; K67-N96 PolarHBondContact O-ND2 2.98Å; N69-N96 PolarHBondContact O-ND2 2.71Å; L71-N96 HydrophobicContact CD1-CB 4.41Å; L71-N96 HydrophobicContact CD2-CB 4.36Å; L71-N96 HydrophobicContact CG-CB 4.07Å; F81-N96 HydrophobicContact CE1-CB 4.27Å; F81-N96 HydrophobicContact CZ-CB 4.18Å; I92-N96 PolarHBondContact O-N 3.15Å; I92-N96 PolarHBondContact O-OD1 3.38Å; I93-N96 WeakPolarHBondContact O-CB 3.35Å; I93-N96 PolarHBondContact O-N 3.29Å; A94-N96 PolarHBondContact O-N 3.19Å; N96-L98 PolarHBondContact O-N 2.97Å; N96-S99 PolarHBondContact O-N 3.1Å; N96-E100 PolarHBondContact O-N 2.88Å
97V95.4Very high90.6Very high15 Ų1567.8 Ų67.89%0.09134%0.338CS..Hα-helixtrans-64-41-178.1172.90000111.1F81 I93 A94 S99 E100 F109 V130 F134F81-V97 HydrophobicContact CE2-CG2 4.21Å; F81-V97 HydrophobicContact CZ-CG2 4.28Å; I93-V97 HydrophobicContact CG2-CG2 4.46Å; I93-V97 WeakPolarHBondContact O-CG2 3.41Å; I93-V97 PolarHBondContact O-N 3.3Å; A94-V97 PolarHBondContact O-N 3.28Å; V97-S99 VanDerWaalsContact C-N 3.34Å; V97-E100 WeakPolarHBondContact O-CB 3.48Å; V97-F109 HydrophobicContact CG1-CD2 4.44Å; V97-F109 HydrophobicContact CG1-CE2 4.32Å; V97-F109 HydrophobicContact CG2-CD1 4.12Å; V97-F109 HydrophobicContact CG2-CE1 4.21Å; V97-F109 HydrophobicContact CG2-CG 4.32Å; V97-F109 HydrophobicContact CG2-CZ 4.5Å; V97-V130 HydrophobicContact CB-CG1 4.32Å; V97-V130 HydrophobicContact CG1-CB 4.31Å; V97-V130 HydrophobicContact CG1-CG1 4.15Å; V97-F134 HydrophobicContact CG2-CZ 3.92Å
98L94.3Very high90.6Very high113 Ų11366 Ų6659%0.59233%0.329SS*.Hα-helixtrans-72.5-26.8179.1-68.2170.5000113.1A94 E95 N96 E100 V130A94-L98 WeakPolarHBondContact O-CB 3.34Å; A94-L98 WeakPolarHBondContact O-CG 3.4Å; A94-L98 PolarHBondContact O-N 3.25Å; E95-L98 PolarHBondContact O-N 2.93Å; N96-L98 PolarHBondContact O-N 2.97Å; L98-E100 VanDerWaalsContact C-N 3.29Å; L98-V130 HydrophobicContact CD1-CG1 4.11Å; L98-V130 HydrophobicContact CD2-CG1 3.86Å; L98-V130 HydrophobicContact CG-CG1 3.69Å
99S92.6Very high90.6Very high41 Ų4162.1 Ų62.129%0.28731%0.311SS..THydrogen-bonded Turntrans-83.3-1.8-179.9-60.30000114.1R70 E95 N96 V97R70-S99 PolarHBondContact NE-O 2.93Å; E95-S99 WeakPolarHBondContact O-CB 3.43Å; E95-S99 PolarHBondContact O-N 3.36Å; E95-S99 PolarHBondContact O-OG 3.32Å; N96-S99 PolarHBondContact O-N 3.1Å; V97-S99 VanDerWaalsContact C-N 3.34Å
100E87.2Confident90.7Very high35 Ų3561.7 Ų61.716%0.16431%0.308CS..SBendtrans-64.5143.8-176-162.669.4167.400112.2N96 V97 L98 R102 R107 F109N96-E100 PolarHBondContact O-N 2.88Å; V97-E100 WeakPolarHBondContact O-CB 3.48Å; L98-E100 VanDerWaalsContact C-N 3.29Å; E100-R102 PolarHBondContact O-N 3.1Å; E100-R102 VanDerWaalsContact O-N 3.11Å; E100-R107 WeakPolarHBondContact OE1-CD 3.4Å; E100-R107 IonicContact OE1-CZ 3.2Å; E100-R107 VanDerWaalsContact OE1-CZ 3.26Å; E100-R107 IonicContact OE1-NE 3.26Å; E100-R107 IonicContact OE1-NH1 2.87Å; E100-R107 PolarHBondContact OE1-NH1 2.73Å; E100-R107 IonicContact OE2-NH1 3.77Å; E100-F109 HydrophobicContact CB-CZ 4.34Å; E100-F109 HydrophobicContact CG-CZ 4.03Å
101D77.6Confident90.7Very high60 Ų6061.7 Ų61.732%0.32131%0.308SS..  trans-71.8107.8-179.6-150.8-31.6000111.8R70 R103 G104R70-D101 VanDerWaalsContact CZ-CB 3.48Å; R70-D101 IonicContact CZ-OD2 2.76Å; R70-D101 IonicContact NH1-OD2 3.94Å; R70-D101 PolarHBondContact NH1-OD2 3.05Å; R70-D101 IonicContact NH2-OD1 3.46Å; R70-D101 IonicContact NH2-OD2 3.8Å; R70-D101 PolarHBondContact NH2-OD2 3.33Å; D101-R103 PolarHBondContact O-N 2.68Å; D101-R103 VanDerWaalsContact O-N 3.08Å; D101-R103 VanDerWaalsContact OD1-CB 3.27Å; D101-R103 WeakPolarHBondContact OD1-CB 3.39Å; D101-R103 PolarHBondContact OD1-N 2.77Å; D101-G104 PolarHBondContact O-N 3.32Å
102R76.5Confident90.7Very high238 Ų23858.8 Ų58.890%0.89829%0.293SS*.THydrogen-bonded Turntrans-63.6-11.8172.6-60.9-174.7-176.6-175.70.7113.3E100E100-R102 PolarHBondContact O-N 3.1Å; E100-R102 VanDerWaalsContact O-N 3.11Å
103R77.3Confident90.7Very high237 Ų23756.5 Ų56.589%0.89428%0.281SS*.THydrogen-bonded Turntrans-89.2-15.3173.6-56.6178.6179.7-179.80.8113.1D101D101-R103 PolarHBondContact O-N 2.68Å; D101-R103 VanDerWaalsContact O-N 3.08Å; D101-R103 VanDerWaalsContact OD1-CB 3.27Å; D101-R103 WeakPolarHBondContact OD1-CB 3.39Å; D101-R103 PolarHBondContact OD1-N 2.77Å
104G73.1Confident90.7Very high34 Ų3456.8 Ų56.835%0.35128%0.282SS..SBendtrans-80173.8177.500000112.7D101D101-G104 PolarHBondContact O-N 3.32Å
105P78.1Confident90.6Very high92 Ų9258 Ų5860%0.59729%0.29SS*.PPolyproline II helixtrans-60.1139.7169.926.9-33.2000110.1R107P105-R107 PolarHBondContact O-N 2.97Å
106T85.7Confident90.5Very high135 Ų13558.7 Ų58.783%0.82829%0.289SS*.PPolyproline II helixtrans-60.7126.8174.6-50.60000109.6
107R91.2Very high90.5Very high38 Ų3863.2 Ų63.214%0.14331%0.306CS..  trans-106146174.8-58.2-170.6-175146.5-0.2110.7A74 K77 I79 E100 P105A74-R107 VanDerWaalsContact O-CZ 3.23Å; A74-R107 PolarHBondContact O-NE 3.06Å; A74-R107 PolarHBondContact O-NH2 3.22Å; K77-R107 WeakPolarHBondContact O-CA 3.31Å; I79-R107 HydrophobicContact CG1-CB 4.24Å; E100-R107 WeakPolarHBondContact OE1-CD 3.4Å; E100-R107 IonicContact OE1-CZ 3.2Å; E100-R107 VanDerWaalsContact OE1-CZ 3.26Å; E100-R107 IonicContact OE1-NE 3.26Å; E100-R107 IonicContact OE1-NH1 2.87Å; E100-R107 PolarHBondContact OE1-NH1 2.73Å; E100-R107 IonicContact OE2-NH1 3.77Å; P105-R107 PolarHBondContact O-N 2.97Å
108D95.9Very high90.5Very high47 Ų4763.5 Ų63.525%0.25131%0.309SS..EExtended strand (participates in β ladder)trans-88.5127.3174.1-69.3-26.4000109.3K77 N78 I79 I135K77-D108 VanDerWaalsContact CE-OD2 3.28Å; K77-D108 WeakPolarHBondContact CE-OD2 3.33Å; K77-D108 IonicContact NZ-OD2 3.34Å; K77-D108 PolarHBondContact O-N 2.86Å; N78-D108 CarbonylContact C-O 3.53Å; N78-D108 WeakPolarHBondContact CA-O 3.12Å; I79-D108 PolarHBondContact N-O 3.36Å; D108-I135 HydrophobicContact CB-CD1 3.65Å; D108-I135 VanDerWaalsContact CG-CD1 3.45Å; D108-I135 WeakPolarHBondContact OD1-CD1 3.42Å
109F97.6Very high90.6Very high19 Ų1964.6 Ų64.68%0.08332%0.315CS..EExtended strand (participates in β ladder)trans-101.1139179.4-65.7-77.1000111.5I79 F81 V97 E100 F134 I135I79-F109 HydrophobicContact CB-CD1 3.72Å; I79-F109 HydrophobicContact CB-CE1 3.91Å; I79-F109 HydrophobicContact CG1-CD1 4.33Å; I79-F109 HydrophobicContact CG1-CE1 4.06Å; I79-F109 HydrophobicContact CG2-CD1 3.97Å; I79-F109 HydrophobicContact CG2-CE1 4.07Å; I79-F109 WeakPolarHBondContact O-CA 3.32Å; F81-F109 AromaticContact CE2-CD1 3.78Å; F81-F109 HydrophobicContact CE2-CD1 3.78Å; F81-F109 HydrophobicContact CE2-CE1 4.4Å; F81-F109 HydrophobicContact CZ-CD1 4.4Å; V97-F109 HydrophobicContact CG1-CD2 4.44Å; V97-F109 HydrophobicContact CG1-CE2 4.32Å; V97-F109 HydrophobicContact CG2-CD1 4.12Å; V97-F109 HydrophobicContact CG2-CE1 4.21Å; V97-F109 HydrophobicContact CG2-CG 4.32Å; V97-F109 HydrophobicContact CG2-CZ 4.5Å; E100-F109 HydrophobicContact CB-CZ 4.34Å; E100-F109 HydrophobicContact CG-CZ 4.03Å; F109-F134 HydrophobicContact CB-CD1 3.87Å; F109-F134 HydrophobicContact CB-CE1 3.97Å; F109-F134 CarbonylContact O-C 3.6Å; F109-F134 VanDerWaalsContact O-CA 3.3Å; F109-F134 WeakPolarHBondContact O-CA 3.26Å; F109-I135 PolarHBondContact O-N 3.19Å
110H98.5Very high90.8Very high3 Ų368.4 Ų68.41%0.01433%0.331CS..EExtended strand (participates in β ladder)trans-138.2151.2178.8-48.9-91.2000110.1N78 I79 I80 F81 H136N78-H110 PolarHBondContact OD1-NE2 3.41Å; I79-H110 PolarHBondContact O-N 3.26Å; I80-H110 WeakPolarHBondContact CA-O 3.44Å; I80-H110 HydrophobicContact CB-CB 4.4Å; I80-H110 HydrophobicContact CG1-CB 4.17Å; I80-H110 HydrophobicContact CG2-CB 4Å; F81-H110 WeakPolarHBondContact CD2-O 3.39Å; F81-H110 PolarHBondContact N-O 2.81Å; H110-H136 WeakPolarHBondContact CA-O 3.21Å; H110-H136 HydrophobicContact CB-CB 4.39Å; H110-H136 AromaticContact CE1-CD2 3.58Å; H110-H136 AromaticContact ND1-CD2 3.28Å; H110-H136 PolarHBondContact ND1-CD2 2.87Å; H110-H136 VanDerWaalsContact ND1-CD2 3.28Å; H110-H136 AromaticContact ND1-CG 3.71Å
111I98.4Very high91.3Very high0 Ų066.7 Ų66.70%032%0.324CS..EExtended strand (participates in β ladder)trans-130.1129.3174.6-172.7164.2000109.8F81 V83 M90 I93 F113 L125 F134 H136 R137 E138F81-I111 HydrophobicContact CB-CG1 4.32Å; V83-I111 HydrophobicContact CG2-CD1 3.78Å; V83-I111 HydrophobicContact CG2-CG1 3.84Å; M90-I111 HydrophobicContact CE-CD1 4.31Å; M90-I111 HydrophobicContact SD-CD1 4.2Å; I93-I111 HydrophobicContact CD1-CD1 3.96Å; I111-F113 HydrophobicContact CB-CE2 4.45Å; I111-F113 HydrophobicContact CD1-CD1 4.49Å; I111-F113 HydrophobicContact CD1-CD2 4.43Å; I111-F113 HydrophobicContact CD1-CE1 3.79Å; I111-F113 HydrophobicContact CD1-CE2 3.73Å; I111-F113 HydrophobicContact CD1-CZ 3.37Å; I111-F113 HydrophobicContact CG1-CD2 4.11Å; I111-F113 HydrophobicContact CG1-CE1 4.36Å; I111-F113 HydrophobicContact CG1-CE2 3.81Å; I111-F113 HydrophobicContact CG1-CZ 3.95Å; I111-F113 HydrophobicContact CG2-CD2 4.38Å; I111-F113 HydrophobicContact CG2-CE2 3.8Å; I111-F113 HydrophobicContact CG2-CZ 4.45Å; I111-L125 HydrophobicContact CD1-CD1 4.2Å; I111-F134 HydrophobicContact CB-CD1 4.1Å; I111-F134 HydrophobicContact CB-CE1 4.23Å; I111-F134 HydrophobicContact CG2-CD1 4.14Å; I111-F134 HydrophobicContact CG2-CG 4.37Å; I111-H136 PolarHBondContact N-O 2.88Å; I111-R137 HydrophobicContact CG2-CB 3.85Å; I111-R137 HydrophobicContact CG2-CG 3.69Å; I111-R137 WeakPolarHBondContact O-CA 3.04Å; I111-E138 PolarHBondContact O-N 3.36Å
112L98.3Very high92.3Very high1 Ų165.1 Ų65.11%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-115107.2174.1-170.466.8000108.5L23 F26 F81 F82 V83 E138 Y140L23-L112 HydrophobicContact CD1-CD2 4.33Å; F26-L112 HydrophobicContact CD1-CB 4.44Å; F26-L112 HydrophobicContact CD1-CD1 3.8Å; F26-L112 HydrophobicContact CD1-CD2 3.64Å; F26-L112 HydrophobicContact CD1-CG 4.16Å; F26-L112 HydrophobicContact CD2-CD1 3.83Å; F26-L112 HydrophobicContact CE1-CB 3.72Å; F26-L112 HydrophobicContact CE1-CD1 3.81Å; F26-L112 HydrophobicContact CE1-CD2 3.69Å; F26-L112 HydrophobicContact CE1-CG 3.94Å; F26-L112 HydrophobicContact CE2-CD1 3.87Å; F26-L112 HydrophobicContact CG-CD1 3.8Å; F26-L112 HydrophobicContact CG-CD2 4.38Å; F26-L112 HydrophobicContact CZ-CB 3.81Å; F26-L112 HydrophobicContact CZ-CD1 3.86Å; F26-L112 HydrophobicContact CZ-CD2 4.5Å; F26-L112 HydrophobicContact CZ-CG 4.26Å; F81-L112 PolarHBondContact O-N 2.67Å; F82-L112 HydrophobicContact CD1-CB 4.14Å; F82-L112 HydrophobicContact CD1-CD2 4.3Å; F82-L112 HydrophobicContact CD2-CD2 4.14Å; F82-L112 HydrophobicContact CE1-CB 4.28Å; F82-L112 HydrophobicContact CE1-CD2 3.94Å; F82-L112 HydrophobicContact CE2-CD2 3.76Å; F82-L112 HydrophobicContact CG-CD2 4.4Å; F82-L112 HydrophobicContact CZ-CD2 3.64Å; V83-L112 PolarHBondContact N-O 3.44Å; V83-L112 VanDerWaalsContact N-O 3.1Å; L112-E138 HydrophobicContact CD1-CB 4.06Å; L112-Y140 HydrophobicContact CD2-CG 4.33Å
113F98.4Very high93.3Very high0 Ų057.6 Ų57.60%029%0.289CS..EExtended strand (participates in β ladder)trans-82.9135.1177.8-68.7-85.9000111.5V83 P85 M90 I111 R116 R117 C121 E138 E139 Y140V83-F113 HydrophobicContact CG2-CD1 4.08Å; V83-F113 HydrophobicContact CG2-CE1 4.24Å; V83-F113 CarbonylContact O-C 3.58Å; V83-F113 WeakPolarHBondContact O-CA 3.43Å; P85-F113 HydrophobicContact CB-CD1 4.29Å; M90-F113 HydrophobicContact CE-CE1 3.98Å; M90-F113 HydrophobicContact SD-CE1 3.98Å; M90-F113 HydrophobicContact SD-CZ 4.16Å; I111-F113 HydrophobicContact CB-CE2 4.45Å; I111-F113 HydrophobicContact CD1-CD1 4.49Å; I111-F113 HydrophobicContact CD1-CD2 4.43Å; I111-F113 HydrophobicContact CD1-CE1 3.79Å; I111-F113 HydrophobicContact CD1-CE2 3.73Å; I111-F113 HydrophobicContact CD1-CZ 3.37Å; I111-F113 HydrophobicContact CG1-CD2 4.11Å; I111-F113 HydrophobicContact CG1-CE1 4.36Å; I111-F113 HydrophobicContact CG1-CE2 3.81Å; I111-F113 HydrophobicContact CG1-CZ 3.95Å; I111-F113 HydrophobicContact CG2-CD2 4.38Å; I111-F113 HydrophobicContact CG2-CE2 3.8Å; I111-F113 HydrophobicContact CG2-CZ 4.45Å; F113-R116 WeakPolarHBondContact CB-O 3.38Å; F113-R117 HydrophobicContact CB-CG 4.21Å; F113-R117 HydrophobicContact CD2-CB 4.45Å; F113-R117 HydrophobicContact CD2-CG 3.62Å; F113-R117 HydrophobicContact CE2-CG 4.33Å; F113-R117 HydrophobicContact CG-CG 4.21Å; F113-C121 HydrophobicContact CE1-CB 3.73Å; F113-C121 HydrophobicContact CZ-CB 3.98Å; F113-E138 PolarHBondContact N-O 2.82Å; F113-E139 CarbonylContact O-C 3.52Å; F113-E139 VanDerWaalsContact O-CA 3.26Å; F113-E139 WeakPolarHBondContact O-CA 3.4Å; F113-Y140 PolarHBondContact O-N 3.24Å
114V97.4Very high94.3Very high5 Ų550.8 Ų50.83%0.0326%0.264CS..SBendtrans-124.8125.1-178.4-170.80000110.4L42 F46 V83 R84 P85 Y140 L142L42-V114 HydrophobicContact CD1-CB 3.94Å; L42-V114 HydrophobicContact CD1-CG2 3.92Å; L42-V114 HydrophobicContact CD2-CB 4.21Å; L42-V114 HydrophobicContact CD2-CG1 4.17Å; F46-V114 HydrophobicContact CE2-CG1 4.08Å; F46-V114 HydrophobicContact CE2-CG2 3.91Å; F46-V114 HydrophobicContact CZ-CG1 4.48Å; F46-V114 HydrophobicContact CZ-CG2 3.88Å; V83-V114 PolarHBondContact O-N 2.9Å; R84-V114 WeakPolarHBondContact CA-O 3.48Å; P85-V114 VanDerWaalsContact CD-O 3.23Å; P85-V114 WeakPolarHBondContact CD-O 3.2Å; V114-Y140 HydrophobicContact CG1-CD1 4.34Å; V114-Y140 HydrophobicContact CG2-CD1 4.25Å; V114-L142 HydrophobicContact CG1-CB 3.94Å; V114-L142 HydrophobicContact CG1-CD2 4.37Å
115P95.8Very high95.5Very high29 Ų2949.2 Ų49.219%0.18825%0.247CC..SBendcis-87.6-1.6-435.5-36.7000114.2Y140 H174P115-Y140 CarbonylContact C-O 3.6Å; P115-Y140 VanDerWaalsContact CA-O 3.23Å; P115-Y140 WeakPolarHBondContact CA-O 3.22Å; P115-H174 VanDerWaalsContact CG-CE1 3.47Å; P115-H174 WeakPolarHBondContact CG-CE1 3.34Å
116R95.4Very high96.5Very high89 Ų8950.9 Ų50.934%0.33625%0.245SC..  trans-146.7154.8-174.761.7171.8-72.6-177.92.5113.5P85 F113 H174P85-R116 HydrophobicContact CG-CG 4.3Å; F113-R116 WeakPolarHBondContact CB-O 3.38Å; R116-H174 VanDerWaalsContact CD-CE1 3.44Å; R116-H174 WeakPolarHBondContact CD-CE1 3.42Å; R116-H174 WeakPolarHBondContact CD-NE2 3.38Å
117R95.5Very high97.1Very high96 Ų9649.5 Ų49.536%0.36223%0.232SC..  trans-68.9151.1165.8-81169.270.5-160.9-0.8111.5F113 E122 R137 E139F113-R117 HydrophobicContact CB-CG 4.21Å; F113-R117 HydrophobicContact CD2-CB 4.45Å; F113-R117 HydrophobicContact CD2-CG 3.62Å; F113-R117 HydrophobicContact CE2-CG 4.33Å; F113-R117 HydrophobicContact CG-CG 4.21Å; R117-E122 IonicContact CZ-OE1 2.69Å; R117-E122 IonicContact NE-OE1 2.7Å; R117-E122 PolarHBondContact NE-OE1 3.22Å; R117-E122 IonicContact NH2-OE1 3.44Å; R117-E122 PolarHBondContact NH2-OE1 3.47Å; R117-E122 IonicContact NH2-OE2 3.65Å; R117-E122 PolarHBondContact NH2-OE2 3.08Å; R117-R137 WeakPolarHBondContact CD-O 2.97Å; R117-R137 PolarHBondContact NE-O 2.88Å; R117-E139 HydrophobicContact CB-CB 4.5Å; R117-E139 HydrophobicContact CG-CB 3.98Å; R117-E139 PolarHBondContact N-OE2 2.87Å
118S95Very high97.4Very high21 Ų2150.3 Ų50.315%0.14724%0.239CC..  trans-128.7122.1175.6170.60000110.5L120 C121 E122S118-L120 PolarHBondContact O-N 3.41Å; S118-L120 PolarHBondContact OG-N 3.36Å; S118-C121 WeakPolarHBondContact O-CB 3.25Å; S118-C121 PolarHBondContact O-N 3.15Å; S118-C121 VanDerWaalsContact O-N 3.15Å; S118-C121 PolarHBondContact OG-N 3.35Å; S118-E122 PolarHBondContact O-N 3.32Å
119L96.3Very high97.5Very high137 Ų13751.1 Ų51.172%0.71726%0.259SS*.Hα-helixtrans-60-33.6174.7-176.664.6000111.5E122 Q123L119-E122 PolarHBondContact O-N 3.09Å; L119-Q123 WeakPolarHBondContact O-CB 3.39Å; L119-Q123 PolarHBondContact O-N 3.15Å
120L97.1Very high97.5Very high120 Ų12050.2 Ų50.263%0.62826%0.255SS*.Hα-helixtrans-66.8-39.9177-61.7177.2000111.5L87 S118 Q123 R124L87-L120 HydrophobicContact CD2-CB 4.04Å; S118-L120 PolarHBondContact O-N 3.41Å; S118-L120 PolarHBondContact OG-N 3.36Å; L120-Q123 PolarHBondContact O-N 2.71Å; L120-R124 WeakPolarHBondContact O-CB 3.37Å; L120-R124 PolarHBondContact O-N 2.98Å
121C98.3Very high97.4Very high0 Ų051.5 Ų51.50%026%0.262CS..Hα-helixtrans-65.6-43175.2-72.30000111.7M90 F113 S118 Q123 R124 L125M90-C121 HydrophobicContact CG-CB 3.78Å; M90-C121 HydrophobicContact SD-CB 3.69Å; F113-C121 HydrophobicContact CE1-CB 3.73Å; F113-C121 HydrophobicContact CZ-CB 3.98Å; S118-C121 WeakPolarHBondContact O-CB 3.25Å; S118-C121 PolarHBondContact O-N 3.15Å; S118-C121 VanDerWaalsContact O-N 3.15Å; S118-C121 PolarHBondContact OG-N 3.35Å; C121-Q123 VanDerWaalsContact C-N 3.35Å; C121-Q123 PolarHBondContact O-N 2.85Å; C121-R124 PolarHBondContact O-N 3.01Å; C121-L125 WeakPolarHBondContact O-CG 3.5Å; C121-L125 PolarHBondContact O-N 2.92Å
122E98Very high97.3Very high26 Ų2655.4 Ų55.412%0.12130%0.302CS..Hα-helixtrans-63.4-41.3176-69.1-176.7179.700112R117 S118 L119 L125 K126 L131R117-E122 IonicContact CZ-OE1 2.69Å; R117-E122 IonicContact NE-OE1 2.7Å; R117-E122 PolarHBondContact NE-OE1 3.22Å; R117-E122 IonicContact NH2-OE1 3.44Å; R117-E122 PolarHBondContact NH2-OE1 3.47Å; R117-E122 IonicContact NH2-OE2 3.65Å; R117-E122 PolarHBondContact NH2-OE2 3.08Å; S118-E122 PolarHBondContact O-N 3.32Å; L119-E122 PolarHBondContact O-N 3.09Å; E122-L125 PolarHBondContact O-N 3.26Å; E122-K126 WeakPolarHBondContact O-CB 3.16Å; E122-K126 PolarHBondContact O-N 3.16Å; E122-L131 HydrophobicContact CB-CD1 4.29Å; E122-L131 HydrophobicContact CG-CD1 4.47Å
123Q98.3Very high97.2Very high81 Ų8157.9 Ų57.938%0.37932%0.319SS..Hα-helixtrans-63.4-42174.5-174.658.342.900111.3L119 L120 C121 L125 K126 D127L119-Q123 WeakPolarHBondContact O-CB 3.39Å; L119-Q123 PolarHBondContact O-N 3.15Å; L120-Q123 PolarHBondContact O-N 2.71Å; C121-Q123 VanDerWaalsContact C-N 3.35Å; C121-Q123 PolarHBondContact O-N 2.85Å; Q123-L125 PolarHBondContact O-N 3.5Å; Q123-K126 WeakPolarHBondContact O-CA 3.26Å; Q123-K126 VanDerWaalsContact O-CB 3.3Å; Q123-K126 WeakPolarHBondContact O-CB 3.46Å; Q123-K126 PolarHBondContact O-N 3.46Å; Q123-K126 VanDerWaalsContact O-N 3.1Å; Q123-D127 PolarHBondContact NE2-OD1 2.95Å; Q123-D127 PolarHBondContact O-N 3.06Å
124R98.3Very high97.2Very high94 Ų9458.1 Ų58.136%0.35532%0.32SS..Hα-helixtrans-61.2-45.6176.3-176.556.7175.7177.6-0.5112.3L87 M90 D91 L120 C121 K126 D127 L128L87-R124 HydrophobicContact CD2-CB 3.98Å; L87-R124 HydrophobicContact CD2-CG 4.46Å; M90-R124 HydrophobicContact CB-CB 4.28Å; M90-R124 HydrophobicContact CB-CG 3.89Å; D91-R124 IonicContact OD1-CZ 2.65Å; D91-R124 IonicContact OD1-NE 3.53Å; D91-R124 PolarHBondContact OD1-NE 2.78Å; D91-R124 IonicContact OD1-NH2 3.88Å; D91-R124 PolarHBondContact OD1-NH2 2.68Å; D91-R124 IonicContact OD2-NH2 3.72Å; L120-R124 WeakPolarHBondContact O-CB 3.37Å; L120-R124 PolarHBondContact O-N 2.98Å; C121-R124 PolarHBondContact O-N 3.01Å; R124-K126 PolarHBondContact O-N 3.01Å; R124-D127 PolarHBondContact O-N 2.74Å; R124-L128 HydrophobicContact CG-CD1 4.04Å; R124-L128 VanDerWaalsContact O-CG 3.27Å; R124-L128 WeakPolarHBondContact O-CG 3.28Å; R124-L128 PolarHBondContact O-N 3.38Å
125L98.5Very high97.2Very high0 Ų062.1 Ų62.10%034%0.34CS..Hα-helixtrans-62.2-32.2174.7-69.6172.4000112.3M90 I93 I111 C121 E122 Q123 G129 V130 L131 F134M90-L125 HydrophobicContact CB-CD2 3.95Å; M90-L125 HydrophobicContact CB-CG 4.15Å; M90-L125 HydrophobicContact CG-CD2 4.49Å; M90-L125 HydrophobicContact CG-CG 4.28Å; M90-L125 HydrophobicContact SD-CD1 3.77Å; M90-L125 HydrophobicContact SD-CD2 4.09Å; M90-L125 HydrophobicContact SD-CG 3.83Å; I93-L125 HydrophobicContact CG2-CD2 4.29Å; I111-L125 HydrophobicContact CD1-CD1 4.2Å; C121-L125 WeakPolarHBondContact O-CG 3.5Å; C121-L125 PolarHBondContact O-N 2.92Å; E122-L125 PolarHBondContact O-N 3.26Å; Q123-L125 PolarHBondContact O-N 3.5Å; L125-G129 PolarHBondContact O-N 3.34Å; L125-V130 HydrophobicContact CB-CG2 4.18Å; L125-V130 HydrophobicContact CD2-CG2 3.72Å; L125-V130 WeakPolarHBondContact O-CG2 3.37Å; L125-V130 PolarHBondContact O-N 2.93Å; L125-L131 HydrophobicContact CB-CB 4.05Å; L125-L131 HydrophobicContact CB-CD1 4.02Å; L125-L131 HydrophobicContact CD1-CD1 4.29Å; L125-L131 PolarHBondContact O-N 3.12Å; L125-F134 HydrophobicContact CD1-CE2 4.25Å; L125-F134 HydrophobicContact CD2-CE2 4.33Å
126K98.2Very high97.2Very high128 Ų12863.3 Ų63.356%0.55734%0.343SS*.Hα-helixtrans-69.2-45.8175.3-174.4-178.6173.6-175.70111.2E122 Q123 R124 L128 G129 L131E122-K126 WeakPolarHBondContact O-CB 3.16Å; E122-K126 PolarHBondContact O-N 3.16Å; Q123-K126 WeakPolarHBondContact O-CA 3.26Å; Q123-K126 VanDerWaalsContact O-CB 3.3Å; Q123-K126 WeakPolarHBondContact O-CB 3.46Å; Q123-K126 PolarHBondContact O-N 3.46Å; Q123-K126 VanDerWaalsContact O-N 3.1Å; R124-K126 PolarHBondContact O-N 3.01Å; K126-L128 PolarHBondContact O-N 2.98Å; K126-G129 WeakPolarHBondContact O-CA 3.29Å; K126-G129 PolarHBondContact O-N 3.35Å; K126-L131 HydrophobicContact CB-CB 4.13Å; K126-L131 HydrophobicContact CB-CD2 3.84Å; K126-L131 HydrophobicContact CG-CD2 4.34Å
127D98.3Very high97.3Very high105 Ų10563.1 Ų63.156%0.56134%0.343SS*.Hα-helixtrans-64.1-32.8178.9-63.8-22.9000111.7Q123 R124 G129Q123-D127 PolarHBondContact NE2-OD1 2.95Å; Q123-D127 PolarHBondContact O-N 3.06Å; R124-D127 PolarHBondContact O-N 2.74Å; D127-G129 PolarHBondContact O-N 3.29Å
128L97.8Very high97.4Very high55 Ų5561 Ų6129%0.28834%0.337SS..THydrogen-bonded Turntrans-79.2-1.7172.8-64.2168.9000113.5D91 A94 R124 K126 V130D91-L128 WeakPolarHBondContact OD1-CD1 3.41Å; A94-L128 HydrophobicContact CB-CB 3.88Å; A94-L128 HydrophobicContact CB-CD1 3.55Å; A94-L128 HydrophobicContact CB-CG 4.27Å; R124-L128 HydrophobicContact CG-CD1 4.04Å; R124-L128 VanDerWaalsContact O-CG 3.27Å; R124-L128 WeakPolarHBondContact O-CG 3.28Å; R124-L128 PolarHBondContact O-N 3.38Å; K126-L128 PolarHBondContact O-N 2.98Å; L128-V130 VanDerWaalsContact C-N 3.32Å; L128-V130 HydrophobicContact CB-CG2 4.32Å; L128-V130 PolarHBondContact O-N 3.32Å
129G97.5Very high97.5Very high64 Ų6463.6 Ų63.666%0.6635%0.347SS*.THydrogen-bonded Turntrans7610.6175.300000115.7L125 K126 D127L125-G129 PolarHBondContact O-N 3.34Å; K126-G129 WeakPolarHBondContact O-CA 3.29Å; K126-G129 PolarHBondContact O-N 3.35Å; D127-G129 PolarHBondContact O-N 3.29Å
130V97.2Very high97.5Very high1 Ų157.1 Ų57.11%0.00631%0.313CS..  trans-107.2-13.7-174.3-64.40000114.5A94 V97 L98 L125 L128 G132 S133 F134A94-V130 HydrophobicContact CB-CB 4.49Å; A94-V130 HydrophobicContact CB-CG1 4.1Å; A94-V130 HydrophobicContact CB-CG2 3.63Å; V97-V130 HydrophobicContact CB-CG1 4.32Å; V97-V130 HydrophobicContact CG1-CB 4.31Å; V97-V130 HydrophobicContact CG1-CG1 4.15Å; L98-V130 HydrophobicContact CD1-CG1 4.11Å; L98-V130 HydrophobicContact CD2-CG1 3.86Å; L98-V130 HydrophobicContact CG-CG1 3.69Å; L125-V130 HydrophobicContact CB-CG2 4.18Å; L125-V130 HydrophobicContact CD2-CG2 3.72Å; L125-V130 WeakPolarHBondContact O-CG2 3.37Å; L125-V130 PolarHBondContact O-N 2.93Å; L128-V130 VanDerWaalsContact C-N 3.32Å; L128-V130 HydrophobicContact CB-CG2 4.32Å; L128-V130 PolarHBondContact O-N 3.32Å; V130-G132 PolarHBondContact O-N 3.08Å; V130-G132 VanDerWaalsContact O-N 3.1Å; V130-S133 VanDerWaalsContact O-CB 3.28Å; V130-S133 WeakPolarHBondContact O-CB 3.37Å; V130-S133 PolarHBondContact O-N 3.29Å; V130-S133 PolarHBondContact O-OG 2.56Å; V130-F134 HydrophobicContact CG2-CE2 4.4Å
131L97.4Very high97.4Very high30 Ų3052.6 Ų52.616%0.15729%0.291CS..G310 helixtrans-52.5-38.2-176-176.868.9000113.3E122 L125 K126 S133 F134 R137E122-L131 HydrophobicContact CB-CD1 4.29Å; E122-L131 HydrophobicContact CG-CD1 4.47Å; L125-L131 HydrophobicContact CB-CB 4.05Å; L125-L131 HydrophobicContact CB-CD1 4.02Å; L125-L131 HydrophobicContact CD1-CD1 4.29Å; L125-L131 PolarHBondContact O-N 3.12Å; K126-L131 HydrophobicContact CB-CB 4.13Å; K126-L131 HydrophobicContact CB-CD2 3.84Å; K126-L131 HydrophobicContact CG-CD2 4.34Å; L131-S133 PolarHBondContact O-N 3.33Å; L131-F134 PolarHBondContact O-N 2.88Å; L131-R137 VanDerWaalsContact CD1-CD 3.47Å
132G96.7Very high97.3Very high81 Ų8153 Ų5384%0.83529%0.293SS*.G310 helixtrans-67.8-14.6179.800000114.7V130 F134V130-G132 PolarHBondContact O-N 3.08Å; V130-G132 VanDerWaalsContact O-N 3.1Å; G132-F134 VanDerWaalsContact C-N 3.29Å
133S95.8Very high97.3Very high53 Ų5352 Ų5237%0.37129%0.289SS..G310 helixtrans-78.3-14.7178.6-45.90000112.8V130 L131V130-S133 VanDerWaalsContact O-CB 3.28Å; V130-S133 WeakPolarHBondContact O-CB 3.37Å; V130-S133 PolarHBondContact O-N 3.29Å; V130-S133 PolarHBondContact O-OG 2.56Å; L131-S133 PolarHBondContact O-N 3.33Å
134F97.6Very high97.2Very high5 Ų548.4 Ų48.42%0.02227%0.272CS..EExtended strand (participates in β ladder)trans-92.2116.9-176.8-65.6-81.4000112.1F81 I93 V97 F109 I111 L125 V130 L131 G132 R137F81-F134 AromaticContact CD2-CE1 3.76Å; F81-F134 HydrophobicContact CD2-CE1 3.76Å; F81-F134 HydrophobicContact CD2-CZ 4.44Å; F81-F134 AromaticContact CE2-CE1 3.93Å; F81-F134 HydrophobicContact CE2-CE1 3.93Å; F81-F134 HydrophobicContact CE2-CZ 4.39Å; I93-F134 HydrophobicContact CG2-CE1 4.29Å; I93-F134 HydrophobicContact CG2-CE2 4.44Å; I93-F134 HydrophobicContact CG2-CZ 3.54Å; V97-F134 HydrophobicContact CG2-CZ 3.92Å; F109-F134 HydrophobicContact CB-CD1 3.87Å; F109-F134 HydrophobicContact CB-CE1 3.97Å; F109-F134 CarbonylContact O-C 3.6Å; F109-F134 VanDerWaalsContact O-CA 3.3Å; F109-F134 WeakPolarHBondContact O-CA 3.26Å; I111-F134 HydrophobicContact CB-CD1 4.1Å; I111-F134 HydrophobicContact CB-CE1 4.23Å; I111-F134 HydrophobicContact CG2-CD1 4.14Å; I111-F134 HydrophobicContact CG2-CG 4.37Å; L125-F134 HydrophobicContact CD1-CE2 4.25Å; L125-F134 HydrophobicContact CD2-CE2 4.33Å; V130-F134 HydrophobicContact CG2-CE2 4.4Å; L131-F134 PolarHBondContact O-N 2.88Å; G132-F134 VanDerWaalsContact C-N 3.29Å; F134-R137 HydrophobicContact CB-CG 3.73Å; F134-R137 PolarHBondContact O-NH1 2.83Å
135I97.3Very high97.2Very high89 Ų8944.1 Ų44.146%0.45626%0.256SS..EExtended strand (participates in β ladder)trans-70.2-51.5177.1-59.4-174.9000110.6D108 F109D108-I135 HydrophobicContact CB-CD1 3.65Å; D108-I135 VanDerWaalsContact CG-CD1 3.45Å; D108-I135 WeakPolarHBondContact OD1-CD1 3.42Å; F109-I135 PolarHBondContact O-N 3.19Å
136H97.3Very high97.2Very high54 Ų5444.2 Ų44.225%0.2526%0.257CS..EExtended strand (participates in β ladder)trans-113.6130.2177.6-62.4-53.6000110.2F26 H110 I111F26-H136 HydrophobicContact CE2-CB 4.33Å; H110-H136 WeakPolarHBondContact CA-O 3.21Å; H110-H136 HydrophobicContact CB-CB 4.39Å; H110-H136 AromaticContact CE1-CD2 3.58Å; H110-H136 AromaticContact ND1-CD2 3.28Å; H110-H136 PolarHBondContact ND1-CD2 2.87Å; H110-H136 VanDerWaalsContact ND1-CD2 3.28Å; H110-H136 AromaticContact ND1-CG 3.71Å; I111-H136 PolarHBondContact N-O 2.88Å
137R97.1Very high97.1Very high86 Ų8638.5 Ų38.533%0.32523%0.232SC..EExtended strand (participates in β ladder)trans-129.287.8174.7-55.7-174-61.8-75.7-3.2107.5I111 R117 L131 F134I111-R137 HydrophobicContact CG2-CB 3.85Å; I111-R137 HydrophobicContact CG2-CG 3.69Å; I111-R137 WeakPolarHBondContact O-CA 3.04Å; R117-R137 WeakPolarHBondContact CD-O 2.97Å; R117-R137 PolarHBondContact NE-O 2.88Å; L131-R137 VanDerWaalsContact CD1-CD 3.47Å; F134-R137 HydrophobicContact CB-CG 3.73Å; F134-R137 PolarHBondContact O-NH1 2.83Å
138E97.6Very high97Very high50 Ų5033.7 Ų33.723%0.23421%0.206CC..EExtended strand (participates in β ladder)trans-116.8168-171.7-63.2-162.1-171.100111.3F26 K29 I111 L112 F113F26-E138 HydrophobicContact CD2-CB 4.04Å; F26-E138 HydrophobicContact CD2-CG 4.24Å; F26-E138 HydrophobicContact CE2-CB 3.96Å; F26-E138 HydrophobicContact CE2-CG 4.16Å; K29-E138 WeakPolarHBondContact CD-OE1 3.25Å; K29-E138 IonicContact NZ-OE1 3.2Å; K29-E138 PolarHBondContact NZ-OE1 3.37Å; K29-E138 IonicContact NZ-OE2 3.45Å; K29-E138 PolarHBondContact NZ-OE2 2.88Å; I111-E138 PolarHBondContact O-N 3.36Å; L112-E138 HydrophobicContact CD1-CB 4.06Å; F113-E138 PolarHBondContact N-O 2.82Å
139E96.6Very high96.8Very high76 Ų7631.2 Ų31.236%0.35519%0.194SC..EExtended strand (participates in β ladder)trans-112.2154167.855-175.9-135.400110.4F113 R117 K177F113-E139 CarbonylContact O-C 3.52Å; F113-E139 VanDerWaalsContact O-CA 3.26Å; F113-E139 WeakPolarHBondContact O-CA 3.4Å; R117-E139 HydrophobicContact CB-CB 4.5Å; R117-E139 HydrophobicContact CG-CB 3.98Å; R117-E139 PolarHBondContact N-OE2 2.87Å; E139-K177 IonicContact OE1-NZ 3.11Å
140Y97.1Very high96.8Very high1 Ų129.1 Ų29.10%0.00417%0.168CC..  trans-122.8112.5172.7175-119.2000109.1V19 E22 L23 F46 L112 F113 V114 P115 L142V19-Y140 HydrophobicContact CG1-CE1 4.08Å; V19-Y140 HydrophobicContact CG1-CE2 3.85Å; V19-Y140 WeakPolarHBondContact CG1-OH 3.23Å; V19-Y140 VanDerWaalsContact O-CE2 3.29Å; V19-Y140 WeakPolarHBondContact O-CE2 3.32Å; V19-Y140 PolarHBondContact O-OH 3.49Å; V19-Y140 VanDerWaalsContact O-OH 3.08Å; E22-Y140 HydrophobicContact CB-CD2 4.26Å; E22-Y140 HydrophobicContact CB-CE2 4Å; E22-Y140 HydrophobicContact CG-CD2 3.84Å; E22-Y140 HydrophobicContact CG-CE2 4.11Å; E22-Y140 WeakPolarHBondContact OE1-CA 3.29Å; L23-Y140 HydrophobicContact CB-CE2 3.67Å; F46-Y140 HydrophobicContact CE1-CD1 4Å; F46-Y140 AromaticContact CE1-CE1 3.55Å; F46-Y140 HydrophobicContact CE1-CE1 3.55Å; F46-Y140 HydrophobicContact CE2-CD1 4.45Å; F46-Y140 HydrophobicContact CE2-CE1 4.41Å; F46-Y140 AromaticContact CZ-CD1 3.51Å; F46-Y140 HydrophobicContact CZ-CD1 3.51Å; F46-Y140 AromaticContact CZ-CE1 3.47Å; F46-Y140 HydrophobicContact CZ-CE1 3.47Å; F46-Y140 VanDerWaalsContact CZ-CE1 3.47Å; L112-Y140 HydrophobicContact CD2-CG 4.33Å; F113-Y140 PolarHBondContact O-N 3.24Å; V114-Y140 HydrophobicContact CG1-CD1 4.34Å; V114-Y140 HydrophobicContact CG2-CD1 4.25Å; P115-Y140 CarbonylContact C-O 3.6Å; P115-Y140 VanDerWaalsContact CA-O 3.23Å; P115-Y140 WeakPolarHBondContact CA-O 3.22Å; Y140-L142 HydrophobicContact CD1-CB 3.84Å; Y140-L142 HydrophobicContact CE1-CB 3.77Å; Y140-L142 HydrophobicContact CE1-CD1 4.37Å; Y140-L142 HydrophobicContact CE1-CD2 4.08Å; Y140-L142 HydrophobicContact CE1-CG 4.3Å; Y140-L142 PolarHBondContact O-N 3.46Å
141S94.1Very high96.8Very high25 Ų2529.3 Ų29.318%0.17517%0.169CC..  trans-78.263.4-168.8-60.90000112.9E22 D143 K177E22-S141 PolarHBondContact OE1-N 2.86Å; S141-D143 VanDerWaalsContact C-N 3.3Å; S141-D143 PolarHBondContact O-N 2.93Å; S141-D143 VanDerWaalsContact O-N 3.13Å; S141-K177 PolarHBondContact OG-NZ 3.43Å
142L96.3Very high96.9Very high9 Ų927.9 Ų27.95%0.04716%0.161CC..  trans-86.765.4176.1-172.164.1000111.2V19 F46 I49 V114 Y140 I145V19-L142 HydrophobicContact CG1-CD1 3.46Å; V19-L142 VanDerWaalsContact CG1-CD1 3.46Å; F46-L142 HydrophobicContact CD2-CD2 4.26Å; F46-L142 HydrophobicContact CE2-CD2 4.07Å; F46-L142 HydrophobicContact CZ-CD2 4.47Å; I49-L142 HydrophobicContact CD1-CD1 4Å; I49-L142 HydrophobicContact CG1-CD1 3.78Å; I49-L142 HydrophobicContact CG1-CD2 4.39Å; V114-L142 HydrophobicContact CG1-CB 3.94Å; V114-L142 HydrophobicContact CG1-CD2 4.37Å; Y140-L142 HydrophobicContact CD1-CB 3.84Å; Y140-L142 HydrophobicContact CE1-CB 3.77Å; Y140-L142 HydrophobicContact CE1-CD1 4.37Å; Y140-L142 HydrophobicContact CE1-CD2 4.08Å; Y140-L142 HydrophobicContact CE1-CG 4.3Å; Y140-L142 PolarHBondContact O-N 3.46Å; L142-I145 HydrophobicContact CD1-CG1 3.71Å; L142-I145 HydrophobicContact CD2-CD1 4.06Å; L142-I145 HydrophobicContact CD2-CG1 4.01Å; L142-I145 HydrophobicContact CG-CD1 4.18Å; L142-I145 HydrophobicContact CG-CG1 3.8Å
143D97.2Very high97Very high5 Ų524 Ų243%0.02712%0.122CC..  trans-76.8-31.4-178.8-61.4-64.7000112.8S141 M154 H174 K177S141-D143 VanDerWaalsContact C-N 3.3Å; S141-D143 PolarHBondContact O-N 2.93Å; S141-D143 VanDerWaalsContact O-N 3.13Å; D143-M154 WeakPolarHBondContact O-CA 3.27Å; D143-M154 WeakPolarHBondContact O-CB 3.45Å; D143-M154 VanDerWaalsContact O-CG 3.25Å; D143-M154 WeakPolarHBondContact O-CG 3.3Å; D143-H174 IonicContact OD1-CE1 2.79Å; D143-H174 IonicContact OD1-CG 3.56Å; D143-H174 IonicContact OD1-ND1 2.68Å; D143-H174 PolarHBondContact OD1-ND1 3.18Å; D143-K177 WeakPolarHBondContact OD2-CD 3.33Å; D143-K177 WeakPolarHBondContact OD2-CE 3.48Å; D143-K177 VanDerWaalsContact OD2-CG 3.29Å; D143-K177 WeakPolarHBondContact OD2-CG 3.35Å
144L98.1Very high97.1Very high6 Ų622.5 Ų22.53%0.03111%0.109CC..  trans-137.1132.3179.9-73.1171.4000111.5L15 L152 M154 L182 F548L15-L144 HydrophobicContact CD2-CB 4.2Å; L144-L152 HydrophobicContact CD2-CB 4.36Å; L144-M154 HydrophobicContact CD2-CG 3.72Å; L144-L182 HydrophobicContact CD1-CD1 3.69Å; L144-L182 HydrophobicContact CD1-CD2 4.42Å; L144-L182 HydrophobicContact CD1-CG 3.88Å; L144-F548 HydrophobicContact CD1-CE2 4.43Å; L144-F548 HydrophobicContact CD2-CE2 4.01Å; L144-F548 HydrophobicContact CD2-CZ 4.08Å
145I97.9Very high97.1Very high3 Ų322.7 Ų22.72%0.01511%0.11CC..EExtended strand (participates in β ladder)trans-114.9127-179.5-62.7148.7000109P45 L48 I49 L142 F147 L152 S153 E155P45-I145 HydrophobicContact CB-CD1 3.69Å; L48-I145 HydrophobicContact CB-CG2 3.7Å; L48-I145 HydrophobicContact CD1-CG2 3.74Å; L48-I145 HydrophobicContact CG-CG2 4.38Å; I49-I145 HydrophobicContact CD1-CB 4.41Å; I49-I145 HydrophobicContact CD1-CG1 4.33Å; I49-I145 HydrophobicContact CD1-CG2 3.91Å; I49-I145 HydrophobicContact CG1-CG1 4.34Å; I49-I145 HydrophobicContact CG1-CG2 4.21Å; L142-I145 HydrophobicContact CD1-CG1 3.71Å; L142-I145 HydrophobicContact CD2-CD1 4.06Å; L142-I145 HydrophobicContact CD2-CG1 4.01Å; L142-I145 HydrophobicContact CG-CD1 4.18Å; L142-I145 HydrophobicContact CG-CG1 3.8Å; I145-F147 HydrophobicContact CB-CE2 4.21Å; I145-F147 HydrophobicContact CG2-CD2 4.21Å; I145-F147 HydrophobicContact CG2-CE2 3.96Å; I145-F147 WeakPolarHBondContact O-CD2 3.23Å; I145-L152 CarbonylContact O-C 3.56Å; I145-L152 VanDerWaalsContact O-CA 3.31Å; I145-L152 WeakPolarHBondContact O-CA 3.41Å; I145-S153 WeakPolarHBondContact CB-O 3.47Å; I145-S153 PolarHBondContact N-O 3.23Å; I145-S153 PolarHBondContact O-N 2.89Å; I145-E155 HydrophobicContact CD1-CB 4.14Å; I145-E155 HydrophobicContact CD1-CG 4.01Å
146P97.2Very high96.9Very high3 Ų319.7 Ų19.72%0.01910%0.096CC..EExtended strand (participates in β ladder)trans-77124.9172.430.1-31.4000112.2L5 L12 R16 L152L5-P146 HydrophobicContact CD1-CB 4.27Å; L5-P146 HydrophobicContact CD1-CG 4.1Å; L5-P146 HydrophobicContact CD2-CB 4Å; L12-P146 HydrophobicContact CB-CB 4.17Å; R16-P146 HydrophobicContact CB-CG 3.96Å; P146-L152 HydrophobicContact CB-CD2 3.79Å
147F96.7Very high96.6Very high8 Ų822 Ų224%0.03511%0.108CC..EExtended strand (participates in β ladder)trans-97.8-37.5175.9-83.4-116000111.3L48 I145 L151 E155 S259 L581L48-F147 HydrophobicContact CD1-CD1 4.11Å; L48-F147 HydrophobicContact CD1-CD2 3.93Å; L48-F147 HydrophobicContact CD1-CE1 3.72Å; L48-F147 HydrophobicContact CD1-CE2 3.46Å; L48-F147 VanDerWaalsContact CD1-CE2 3.46Å; L48-F147 HydrophobicContact CD1-CG 4.21Å; L48-F147 HydrophobicContact CD1-CZ 3.36Å; I145-F147 HydrophobicContact CB-CE2 4.21Å; I145-F147 HydrophobicContact CG2-CD2 4.21Å; I145-F147 HydrophobicContact CG2-CE2 3.96Å; I145-F147 WeakPolarHBondContact O-CD2 3.23Å; F147-L151 HydrophobicContact CB-CB 4.3Å; F147-L151 HydrophobicContact CB-CD2 3.92Å; F147-L151 HydrophobicContact CB-CG 4Å; F147-L151 PolarHBondContact N-O 3.25Å; F147-E155 HydrophobicContact CE2-CG 3.89Å; F147-E155 VanDerWaalsContact CZ-CD 3.45Å; F147-E155 HydrophobicContact CZ-CG 3.69Å; F147-E155 WeakPolarHBondContact CZ-OE1 3.46Å; F147-S259 WeakPolarHBondContact CD1-OG 3.49Å; F147-L581 HydrophobicContact CD1-CD1 3.66Å; F147-L581 HydrophobicContact CE1-CD1 3.59Å; F147-L581 HydrophobicContact CG-CD1 4.31Å; F147-L581 HydrophobicContact CZ-CD1 4.24Å
148D95.9Very high96.3Very high4 Ų419.1 Ų19.12%0.02110%0.104CC..EExtended strand (participates in β ladder)trans-150.4-178.6177.4-137-20000111H4 Y7 L12 D150 L151 S291 R300H4-D148 IonicContact CD2-OD1 2.84Å; Y7-D148 VanDerWaalsContact CE1-OD1 3.25Å; Y7-D148 WeakPolarHBondContact CE1-OD1 3.34Å; Y7-D148 VanDerWaalsContact OH-CG 3.29Å; Y7-D148 PolarHBondContact OH-OD1 2.88Å; L12-D148 VanDerWaalsContact CD1-O 3.32Å; L12-D148 WeakPolarHBondContact CD1-O 3.15Å; D148-D150 PolarHBondContact O-N 3.27Å; D148-D150 VanDerWaalsContact O-N 3.13Å; D148-L151 HydrophobicContact CB-CB 4.21Å; D148-L151 PolarHBondContact N-O 3.19Å; D148-L151 PolarHBondContact O-N 2.83Å; D148-S291 VanDerWaalsContact CG-OG 3.22Å; D148-S291 WeakPolarHBondContact OD1-CB 3.5Å; D148-S291 PolarHBondContact OD1-OG 3.21Å; D148-S291 WeakPolarHBondContact OD2-CB 3.07Å; D148-S291 PolarHBondContact OD2-N 3.05Å; D148-S291 PolarHBondContact OD2-OG 3.14Å; D148-R300 IonicContact OD2-CZ 3.45Å; D148-R300 IonicContact OD2-NH1 2.68Å; D148-R300 PolarHBondContact OD2-NH1 3.3Å; D148-R300 IonicContact OD2-NH2 3.28Å
149G94.9Very high96.2Very high3 Ų316.8 Ų16.83%0.0319%0.094CC..THydrogen-bonded Turntrans-62.4-17.3-178.500000114.7H4 L12H4-G149 WeakPolarHBondContact O-CA 3.27Å; H4-G149 PolarHBondContact O-N 2.94Å; L12-G149 WeakPolarHBondContact CD1-O 3.44Å
150D96.6Very high96.3Very high19 Ų1913.5 Ų13.510%0.1028%0.078CC..THydrogen-bonded Turntrans-126.96.2-178.460.8-1.9000113.6Y7 D148 R562 I576Y7-D150 PolarHBondContact OH-OD1 2.65Å; D148-D150 PolarHBondContact O-N 3.27Å; D148-D150 VanDerWaalsContact O-N 3.13Å; D150-R562 IonicContact OD1-CZ 2.82Å; D150-R562 IonicContact OD1-NE 3.3Å; D150-R562 IonicContact OD1-NH2 3.9Å; D150-R562 PolarHBondContact OD1-NH2 3.48Å; D150-R562 WeakPolarHBondContact OD2-CG 3.09Å; D150-R562 IonicContact OD2-CZ 2.67Å; D150-R562 IonicContact OD2-NE 3.69Å; D150-R562 PolarHBondContact OD2-NE 3.34Å; D150-R562 IonicContact OD2-NH2 3.68Å; D150-I576 PolarHBondContact O-N 3.41Å
151L98.1Very high96.2Very high6 Ų615.4 Ų15.43%0.0319%0.086CC..EExtended strand (participates in β ladder)trans-133.5124-169.7-176.662000113.1F147 D148 I558 I576 L581F147-L151 HydrophobicContact CB-CB 4.3Å; F147-L151 HydrophobicContact CB-CD2 3.92Å; F147-L151 HydrophobicContact CB-CG 4Å; F147-L151 PolarHBondContact N-O 3.25Å; D148-L151 HydrophobicContact CB-CB 4.21Å; D148-L151 PolarHBondContact N-O 3.19Å; D148-L151 PolarHBondContact O-N 2.83Å; L151-I558 HydrophobicContact CD1-CD1 3.78Å; L151-I558 HydrophobicContact CD1-CG1 4.35Å; L151-I558 HydrophobicContact CD2-CD1 3.97Å; L151-I576 CarbonylContact C-O 3.21Å; L151-I576 WeakPolarHBondContact CA-O 3.49Å; L151-I576 HydrophobicContact CD1-CB 3.89Å; L151-I576 HydrophobicContact CD1-CG2 3.89Å; L151-L581 HydrophobicContact CD1-CD2 4.25Å; L151-L581 HydrophobicContact CD2-CD1 4.23Å; L151-L581 HydrophobicContact CD2-CD2 4.15Å
152L98.5Very high96.3Very high0 Ų016.1 Ų16.10%09%0.087CC..EExtended strand (participates in β ladder)trans-121.5142.2175.3-60.1169.2000109.8L12 L15 L144 I145 P146 L182 I576 A577 T578L12-L152 HydrophobicContact CD1-CD2 3.9Å; L12-L152 HydrophobicContact CD1-CG 4.02Å; L12-L152 HydrophobicContact CD2-CD1 4.22Å; L12-L152 HydrophobicContact CD2-CD2 4.13Å; L12-L152 HydrophobicContact CD2-CG 4.4Å; L12-L152 HydrophobicContact CG-CD2 4.5Å; L15-L152 HydrophobicContact CD2-CD2 3.62Å; L144-L152 HydrophobicContact CD2-CB 4.36Å; I145-L152 CarbonylContact O-C 3.56Å; I145-L152 VanDerWaalsContact O-CA 3.31Å; I145-L152 WeakPolarHBondContact O-CA 3.41Å; P146-L152 HydrophobicContact CB-CD2 3.79Å; L152-L182 HydrophobicContact CD1-CD1 3.89Å; L152-L182 HydrophobicContact CD1-CD2 4.02Å; L152-I576 PolarHBondContact N-O 3.11Å; L152-A577 HydrophobicContact CB-CB 4.14Å; L152-A577 CarbonylContact O-C 3.54Å; L152-A577 VanDerWaalsContact O-CA 3.3Å; L152-A577 WeakPolarHBondContact O-CA 3.34Å; L152-T578 PolarHBondContact O-N 3.31Å; L152-T578 VanDerWaalsContact O-N 3.08Å
153S98.5Very high96.3Very high0 Ų016.9 Ų16.90%09%0.093CC..EExtended strand (participates in β ladder)trans-137.5143.9173.4177.80000110.2I145 E155 T578I145-S153 WeakPolarHBondContact CB-O 3.47Å; I145-S153 PolarHBondContact N-O 3.23Å; I145-S153 PolarHBondContact O-N 2.89Å; S153-E155 VanDerWaalsContact C-N 3.26Å; S153-E155 PolarHBondContact OG-N 2.97Å; S153-E155 PolarHBondContact OG-OE1 3.43Å; S153-T578 CarbonylContact C-O 3.3Å; S153-T578 WeakPolarHBondContact CA-O 3.32Å
154M98.3Very high96.2Very high20 Ų2018.6 Ų18.610%0.09910%0.099CC..  trans-77.6-15.6168.8-53.9175.15400112.3D143 L144 S156 S171 H174 A175 F548 T578 T579D143-M154 WeakPolarHBondContact O-CA 3.27Å; D143-M154 WeakPolarHBondContact O-CB 3.45Å; D143-M154 VanDerWaalsContact O-CG 3.25Å; D143-M154 WeakPolarHBondContact O-CG 3.3Å; L144-M154 HydrophobicContact CD2-CG 3.72Å; M154-S156 VanDerWaalsContact C-N 3.29Å; M154-S156 PolarHBondContact O-N 3.41Å; M154-S171 WeakPolarHBondContact CE-O 3.35Å; M154-H174 HydrophobicContact CE-CB 3.39Å; M154-A175 HydrophobicContact CE-CB 4.49Å; M154-A175 HydrophobicContact SD-CB 3.86Å; M154-F548 HydrophobicContact CG-CZ 3.98Å; M154-F548 HydrophobicContact SD-CE1 4.08Å; M154-F548 HydrophobicContact SD-CZ 3.64Å; M154-T578 PolarHBondContact N-O 3.47Å; M154-T579 HydrophobicContact SD-CG2 3.83Å
155E96.9Very high96Very high9 Ų918.7 Ų18.74%0.04210%0.1CC..  trans50.150.3-171.6-69.2-65.1100.400111.8Y41 P45 I145 F147 S153 N258 T579 K580Y41-E155 VanDerWaalsContact OH-C 3.3Å; Y41-E155 PolarHBondContact OH-O 3.28Å; P45-E155 HydrophobicContact CG-CB 4.04Å; P45-E155 HydrophobicContact CG-CG 4.27Å; I145-E155 HydrophobicContact CD1-CB 4.14Å; I145-E155 HydrophobicContact CD1-CG 4.01Å; F147-E155 HydrophobicContact CE2-CG 3.89Å; F147-E155 VanDerWaalsContact CZ-CD 3.45Å; F147-E155 HydrophobicContact CZ-CG 3.69Å; F147-E155 WeakPolarHBondContact CZ-OE1 3.46Å; S153-E155 VanDerWaalsContact C-N 3.26Å; S153-E155 PolarHBondContact OG-N 2.97Å; S153-E155 PolarHBondContact OG-OE1 3.43Å; E155-N258 PolarHBondContact OE2-ND2 3.42Å; E155-T579 PolarHBondContact N-O 3.31Å; E155-K580 VanDerWaalsContact CD-NZ 3.28Å; E155-K580 IonicContact OE1-NZ 2.71Å; E155-K580 PolarHBondContact OE1-NZ 2.9Å; E155-K580 IonicContact OE2-NZ 3.83Å; E155-K580 PolarHBondContact OE2-NZ 3.5Å
156S95.1Very high95.9Very high26 Ų2624 Ų2418%0.18213%0.125CC..  trans-10989.9177.9179.90000110.1M154 G158 A159 T579M154-S156 VanDerWaalsContact C-N 3.29Å; M154-S156 PolarHBondContact O-N 3.41Å; S156-G158 VanDerWaalsContact C-N 3.25Å; S156-G158 PolarHBondContact O-N 3.43Å; S156-A159 WeakPolarHBondContact O-CB 3.41Å; S156-A159 PolarHBondContact O-N 3.08Å; S156-T579 PolarHBondContact N-O 3.02Å
157E90.4Very high95.7Very high104 Ų10426.4 Ų26.449%0.48615%0.15SC..THydrogen-bonded Turntrans-57.1-35.4-177.4-72.6175.4151.900113.7Y41 K580Y41-E157 HydrophobicContact CE2-CG 3.88Å; Y41-E157 WeakPolarHBondContact CE2-OE1 3.44Å; Y41-E157 WeakPolarHBondContact CE2-OE2 3.48Å; E157-K580 HydrophobicContact CG-CD 4.25Å
158G90.7Very high95.7Very high25 Ų2529.1 Ų29.126%0.25816%0.164SC..THydrogen-bonded Turntrans-80.3-11.8-176.800000114.7S156 F160 K161 E162S156-G158 VanDerWaalsContact C-N 3.25Å; S156-G158 PolarHBondContact O-N 3.43Å; G158-F160 VanDerWaalsContact C-N 3.29Å; G158-F160 PolarHBondContact O-N 2.93Å; G158-K161 CarbonylContact O-C 3.56Å; G158-K161 WeakPolarHBondContact O-CA 3.45Å; G158-K161 PolarHBondContact O-N 3.09Å; G158-E162 WeakPolarHBondContact O-CB 3.33Å; G158-E162 WeakPolarHBondContact O-CG 3.17Å; G158-E162 PolarHBondContact O-N 3.32Å
159A96.1Very high95.6Very high1 Ų133.6 Ų33.61%0.00819%0.185CC..Hα-helixtrans-54.1-40.7-162.500000114.5S156 C163 T579S156-A159 WeakPolarHBondContact O-CB 3.41Å; S156-A159 PolarHBondContact O-N 3.08Å; A159-C163 WeakPolarHBondContact O-CB 3.42Å; A159-C163 PolarHBondContact O-N 2.86Å; A159-C163 VanDerWaalsContact O-N 3.14Å; A159-C163 PolarHBondContact O-SG 3.32Å; A159-T579 HydrophobicContact CB-CG2 3.88Å
160F97.2Very high95.6Very high7 Ų736 Ų363%0.03120%0.2CC..Hα-helixtrans-68.1-47.1176.3-174.4-82.2000112G158 C163 Y164 R232 L236 A450 W587 L591G158-F160 VanDerWaalsContact C-N 3.29Å; G158-F160 PolarHBondContact O-N 2.93Å; F160-C163 PolarHBondContact O-N 3.42Å; F160-Y164 HydrophobicContact CD1-CD2 4.12Å; F160-Y164 AromaticContact CD2-CD2 3.52Å; F160-Y164 HydrophobicContact CD2-CD2 3.52Å; F160-Y164 AromaticContact CD2-CE2 3.68Å; F160-Y164 HydrophobicContact CD2-CE2 3.68Å; F160-Y164 HydrophobicContact CE1-CD2 4.05Å; F160-Y164 HydrophobicContact CE1-CG 4.47Å; F160-Y164 AromaticContact CE2-CD2 3.42Å; F160-Y164 HydrophobicContact CE2-CD2 3.42Å; F160-Y164 VanDerWaalsContact CE2-CD2 3.42Å; F160-Y164 AromaticContact CE2-CE2 3.63Å; F160-Y164 HydrophobicContact CE2-CE2 3.63Å; F160-Y164 HydrophobicContact CE2-CG 4.3Å; F160-Y164 AromaticContact CG-CD2 3.87Å; F160-Y164 HydrophobicContact CG-CD2 3.87Å; F160-Y164 HydrophobicContact CG-CE2 4.4Å; F160-Y164 AromaticContact CZ-CD2 3.69Å; F160-Y164 HydrophobicContact CZ-CD2 3.69Å; F160-Y164 HydrophobicContact CZ-CE2 4.32Å; F160-Y164 HydrophobicContact CZ-CG 4.17Å; F160-Y164 WeakPolarHBondContact O-CD2 3.47Å; F160-Y164 PolarHBondContact O-N 3.48Å; F160-R232 HydrophobicContact CD2-CB 3.85Å; F160-R232 HydrophobicContact CD2-CG 3.76Å; F160-R232 HydrophobicContact CE2-CB 3.98Å; F160-R232 HydrophobicContact CE2-CG 3.77Å; F160-L236 HydrophobicContact CE2-CD2 4.08Å; F160-L236 HydrophobicContact CZ-CD2 3.92Å; F160-A450 HydrophobicContact CE1-CB 4.11Å; F160-W587 HydrophobicContact CD1-CZ2 4.49Å; F160-W587 AromaticContact CD1-NE1 3.28Å; F160-W587 VanDerWaalsContact CD1-NE1 3.28Å; F160-W587 HydrophobicContact CD2-CZ2 4.21Å; F160-W587 AromaticContact CD2-NE1 3.73Å; F160-W587 AromaticContact CE1-CZ2 3.97Å; F160-W587 HydrophobicContact CE1-CZ2 3.97Å; F160-W587 AromaticContact CE1-NE1 3.56Å; F160-W587 AromaticContact CE2-CZ2 3.66Å; F160-W587 HydrophobicContact CE2-CZ2 3.66Å; F160-W587 AromaticContact CE2-NE1 4Å; F160-W587 AromaticContact CG-NE1 3.38Å; F160-W587 AromaticContact CZ-CZ2 3.54Å; F160-W587 HydrophobicContact CZ-CZ2 3.54Å; F160-W587 AromaticContact CZ-NE1 3.93Å; F160-L591 HydrophobicContact CD1-CD2 3.89Å; F160-L591 HydrophobicContact CE1-CD1 4.34Å; F160-L591 HydrophobicContact CE1-CD2 4.05Å
161K96.3Very high95.6Very high40 Ų4035.3 Ų35.317%0.17420%0.196CC..Hα-helixtrans-61.4-48178.1174170.2-172.1178.20110.8G158 C163 L165 E166 A590 L591 E593G158-K161 CarbonylContact O-C 3.56Å; G158-K161 WeakPolarHBondContact O-CA 3.45Å; G158-K161 PolarHBondContact O-N 3.09Å; K161-C163 PolarHBondContact O-N 2.99Å; K161-L165 HydrophobicContact CG-CB 4.22Å; K161-L165 HydrophobicContact CG-CD1 4.02Å; K161-L165 WeakPolarHBondContact O-CA 3.33Å; K161-L165 VanDerWaalsContact O-CB 3.25Å; K161-L165 WeakPolarHBondContact O-CB 3.17Å; K161-L165 PolarHBondContact O-N 3.43Å; K161-E166 WeakPolarHBondContact CE-OE1 3.43Å; K161-E166 HydrophobicContact CG-CG 4.36Å; K161-E166 PolarHBondContact O-N 3.22Å; K161-E166 VanDerWaalsContact O-N 3.1Å; K161-A590 WeakPolarHBondContact CD-O 3.45Å; K161-L591 HydrophobicContact CB-CD2 4.43Å; K161-E593 IonicContact NZ-OE2 3.58Å; K161-E593 PolarHBondContact NZ-OE2 3.15Å
162E95.3Very high95.6Very high41 Ų4135.1 Ų35.119%0.19220%0.195CC..Iπ-helixtrans-51.1-55.1176-73.8167.2-164.600110.7G158 E166 G167 D168 S171G158-E162 WeakPolarHBondContact O-CB 3.33Å; G158-E162 WeakPolarHBondContact O-CG 3.17Å; G158-E162 PolarHBondContact O-N 3.32Å; E162-E166 CarbonylContact O-C 3.55Å; E162-E166 PolarHBondContact O-N 3.18Å; E162-G167 PolarHBondContact O-N 3.05Å; E162-D168 CarbonylContact C-O 3.47Å; E162-D168 HydrophobicContact CB-CB 4.05Å; E162-D168 HydrophobicContact CG-CB 4.43Å; E162-D168 PolarHBondContact O-N 3.48Å; E162-S171 VanDerWaalsContact OE2-CB 3.26Å; E162-S171 WeakPolarHBondContact OE2-CB 3.43Å; E162-S171 PolarHBondContact OE2-OG 3.31Å
163C96.7Very high95.6Very high24 Ų2439.7 Ų39.716%0.16221%0.213CC..Iπ-helixtrans-69.5-45.6-175.1-67.50000113.3A159 F160 K161A159-C163 WeakPolarHBondContact O-CB 3.42Å; A159-C163 PolarHBondContact O-N 2.86Å; A159-C163 VanDerWaalsContact O-N 3.14Å; A159-C163 PolarHBondContact O-SG 3.32Å; F160-C163 PolarHBondContact O-N 3.42Å; K161-C163 PolarHBondContact O-N 2.99Å
164Y95.3Very high95.5Very high41 Ų4140.1 Ų40.116%0.16122%0.215CC..Iπ-helixtrans-101.1-17.3-167.5-62.6-71.1000114.4F160 D231 N233F160-Y164 HydrophobicContact CD1-CD2 4.12Å; F160-Y164 AromaticContact CD2-CD2 3.52Å; F160-Y164 HydrophobicContact CD2-CD2 3.52Å; F160-Y164 AromaticContact CD2-CE2 3.68Å; F160-Y164 HydrophobicContact CD2-CE2 3.68Å; F160-Y164 HydrophobicContact CE1-CD2 4.05Å; F160-Y164 HydrophobicContact CE1-CG 4.47Å; F160-Y164 AromaticContact CE2-CD2 3.42Å; F160-Y164 HydrophobicContact CE2-CD2 3.42Å; F160-Y164 VanDerWaalsContact CE2-CD2 3.42Å; F160-Y164 AromaticContact CE2-CE2 3.63Å; F160-Y164 HydrophobicContact CE2-CE2 3.63Å; F160-Y164 HydrophobicContact CE2-CG 4.3Å; F160-Y164 AromaticContact CG-CD2 3.87Å; F160-Y164 HydrophobicContact CG-CD2 3.87Å; F160-Y164 HydrophobicContact CG-CE2 4.4Å; F160-Y164 AromaticContact CZ-CD2 3.69Å; F160-Y164 HydrophobicContact CZ-CD2 3.69Å; F160-Y164 HydrophobicContact CZ-CE2 4.32Å; F160-Y164 HydrophobicContact CZ-CG 4.17Å; F160-Y164 WeakPolarHBondContact O-CD2 3.47Å; F160-Y164 PolarHBondContact O-N 3.48Å; Y164-D231 VanDerWaalsContact OH-CB 3.25Å; Y164-D231 WeakPolarHBondContact OH-CB 3.38Å; Y164-D231 PolarHBondContact OH-OD2 3.3Å; Y164-N233 HydrophobicContact CD1-CB 4.2Å; Y164-N233 HydrophobicContact CE1-CB 3.51Å; Y164-N233 HydrophobicContact CE2-CB 4.13Å; Y164-N233 VanDerWaalsContact CZ-CB 3.47Å
165L94.5Very high95.5Very high9 Ų939.2 Ų39.25%0.04721%0.21CC..Iπ-helixtrans-111-38.8176.1-60.7-174.6000113K161 N446 K449 A450 L591K161-L165 HydrophobicContact CG-CB 4.22Å; K161-L165 HydrophobicContact CG-CD1 4.02Å; K161-L165 WeakPolarHBondContact O-CA 3.33Å; K161-L165 VanDerWaalsContact O-CB 3.25Å; K161-L165 WeakPolarHBondContact O-CB 3.17Å; K161-L165 PolarHBondContact O-N 3.43Å; L165-N446 HydrophobicContact CD1-CB 3.77Å; L165-N446 VanDerWaalsContact CD2-O 3.32Å; L165-N446 WeakPolarHBondContact CD2-O 3.48Å; L165-K449 HydrophobicContact CD2-CB 3.68Å; L165-K449 HydrophobicContact CD2-CD 3.9Å; L165-K449 HydrophobicContact CD2-CG 3.77Å; L165-K449 VanDerWaalsContact O-CE 3.28Å; L165-K449 WeakPolarHBondContact O-CE 3.42Å; L165-K449 PolarHBondContact O-NZ 2.87Å; L165-A450 HydrophobicContact CD2-CB 3.99Å; L165-L591 HydrophobicContact CD1-CD2 3.52Å; L165-L591 HydrophobicContact CG-CD2 4.26Å
166E94.8Very high95.6Very high115 Ų11538.8 Ų38.854%0.53721%0.208SC..Iπ-helixtrans-101.1-18.4-171.6-61.1170.4172.500112.5K161 E162 D168K161-E166 WeakPolarHBondContact CE-OE1 3.43Å; K161-E166 HydrophobicContact CG-CG 4.36Å; K161-E166 PolarHBondContact O-N 3.22Å; K161-E166 VanDerWaalsContact O-N 3.1Å; E162-E166 CarbonylContact O-C 3.55Å; E162-E166 PolarHBondContact O-N 3.18Å; E166-D168 HydrophobicContact CB-CB 4.44Å; E166-D168 PolarHBondContact O-N 3.41Å
167G94Very high95.7Very high53 Ų5339.2 Ų39.255%0.54621%0.207SC..  trans70.317.2-173.500000112.8E162E162-G167 PolarHBondContact O-N 3.05Å
168D95.4Very high96.1Very high64 Ų6434.3 Ų34.334%0.34218%0.184SC..  trans-83.2121.2176.6-171.5-12.2000109.8E162 E166 T170E162-D168 CarbonylContact C-O 3.47Å; E162-D168 HydrophobicContact CB-CB 4.05Å; E162-D168 HydrophobicContact CG-CB 4.43Å; E162-D168 PolarHBondContact O-N 3.48Å; E166-D168 HydrophobicContact CB-CB 4.44Å; E166-D168 PolarHBondContact O-N 3.41Å; D168-T170 WeakPolarHBondContact OD1-CB 3.46Å; D168-T170 PolarHBondContact OD1-N 3.29Å; D168-T170 PolarHBondContact OD1-OG1 3.44Å
169Q95Very high96.4Very high98 Ų9833.1 Ų33.146%0.45817%0.172SC..  trans-100.912-177.8-61.3176.41.300112.4S171 L172 Y173 Q201Q169-S171 VanDerWaalsContact C-N 3.35Å; Q169-S171 PolarHBondContact O-N 3.45Å; Q169-L172 HydrophobicContact CB-CB 4.48Å; Q169-L172 HydrophobicContact CB-CD1 4.29Å; Q169-L172 HydrophobicContact CG-CD1 4.24Å; Q169-L172 WeakPolarHBondContact O-CB 3.4Å; Q169-L172 PolarHBondContact O-N 3.04Å; Q169-Y173 PolarHBondContact O-N 3.32Å; Q169-Q201 VanDerWaalsContact NE2-OE1 3.09Å
170T94.8Very high96.4Very high55 Ų5534.8 Ų34.834%0.33718%0.18SC..Hα-helixtrans-57.9-46-177.9-64.50000111.4D168 L172 Y173 H174D168-T170 WeakPolarHBondContact OD1-CB 3.46Å; D168-T170 PolarHBondContact OD1-N 3.29Å; D168-T170 PolarHBondContact OD1-OG1 3.44Å; T170-L172 VanDerWaalsContact C-N 3.29Å; T170-L172 PolarHBondContact O-N 2.97Å; T170-Y173 WeakPolarHBondContact O-CB 3.31Å; T170-Y173 PolarHBondContact O-N 3.34Å; T170-H174 PolarHBondContact O-CD2 3.24Å; T170-H174 PolarHBondContact O-N 2.92Å; T170-H174 VanDerWaalsContact O-N 3.15Å
171S96.5Very high96.4Very high3 Ų336.7 Ų36.72%0.02119%0.193CC..Hα-helixtrans-61.6-33.9174.743.40000112.8M154 E162 Q169 H174 A175M154-S171 WeakPolarHBondContact CE-O 3.35Å; E162-S171 VanDerWaalsContact OE2-CB 3.26Å; E162-S171 WeakPolarHBondContact OE2-CB 3.43Å; E162-S171 PolarHBondContact OE2-OG 3.31Å; Q169-S171 VanDerWaalsContact C-N 3.35Å; Q169-S171 PolarHBondContact O-N 3.45Å; S171-H174 PolarHBondContact O-N 3.49Å; S171-A175 PolarHBondContact O-N 3.23Å
172L98.2Very high96.4Very high3 Ų334.8 Ų34.82%0.01618%0.184CC..Hα-helixtrans-68.3-38.4175.6-54.9-172.9000112.5Q169 T170 H174 A175 A176 C198 Q201 V202 M205 L550Q169-L172 HydrophobicContact CB-CB 4.48Å; Q169-L172 HydrophobicContact CB-CD1 4.29Å; Q169-L172 HydrophobicContact CG-CD1 4.24Å; Q169-L172 WeakPolarHBondContact O-CB 3.4Å; Q169-L172 PolarHBondContact O-N 3.04Å; T170-L172 VanDerWaalsContact C-N 3.29Å; T170-L172 PolarHBondContact O-N 2.97Å; L172-H174 VanDerWaalsContact C-N 3.31Å; L172-H174 PolarHBondContact O-N 2.84Å; L172-A175 PolarHBondContact O-N 3.05Å; L172-A176 PolarHBondContact O-N 2.91Å; L172-C198 HydrophobicContact CD1-CB 3.73Å; L172-C198 HydrophobicContact CD2-CB 3.7Å; L172-C198 HydrophobicContact CG-CB 4.39Å; L172-Q201 HydrophobicContact CD1-CB 4.32Å; L172-V202 HydrophobicContact CB-CG2 3.83Å; L172-V202 HydrophobicContact CD2-CG2 3.99Å; L172-V202 HydrophobicContact CG-CG2 4.4Å; L172-M205 VanDerWaalsContact C-CE 3.43Å; L172-M205 HydrophobicContact CB-CE 3.66Å; L172-M205 WeakPolarHBondContact O-CE 3.45Å; L172-L550 HydrophobicContact CD2-CD2 4.28Å
173Y97.4Very high96.4Very high95 Ų9532.9 Ų32.937%0.37318%0.175SC..Hα-helixtrans-59.6-44.4172.7171.7-91.7000111Q169 T170 A176 K177 M205 M209Q169-Y173 PolarHBondContact O-N 3.32Å; T170-Y173 WeakPolarHBondContact O-CB 3.31Å; T170-Y173 PolarHBondContact O-N 3.34Å; Y173-A176 PolarHBondContact O-N 3.45Å; Y173-K177 HydrophobicContact CE1-CD 4.34Å; Y173-K177 PolarHBondContact O-N 3.36Å; Y173-M205 HydrophobicContact CD2-SD 4.41Å; Y173-M209 HydrophobicContact CD2-CE 3.54Å; Y173-M209 HydrophobicContact CE2-CE 3.27Å; Y173-M209 HydrophobicContact CG-CE 4.4Å
174H97.6Very high96.2Very high10 Ų1034.1 Ų34.15%0.04619%0.187CC..Hα-helixtrans-67.7-35.9177.4-73.8-62.8000113P115 R116 D143 M154 T170 S171 L172 A176 K177 G178P115-H174 VanDerWaalsContact CG-CE1 3.47Å; P115-H174 WeakPolarHBondContact CG-CE1 3.34Å; R116-H174 VanDerWaalsContact CD-CE1 3.44Å; R116-H174 WeakPolarHBondContact CD-CE1 3.42Å; R116-H174 WeakPolarHBondContact CD-NE2 3.38Å; D143-H174 IonicContact OD1-CE1 2.79Å; D143-H174 IonicContact OD1-CG 3.56Å; D143-H174 IonicContact OD1-ND1 2.68Å; D143-H174 PolarHBondContact OD1-ND1 3.18Å; M154-H174 HydrophobicContact CE-CB 3.39Å; T170-H174 PolarHBondContact O-CD2 3.24Å; T170-H174 PolarHBondContact O-N 2.92Å; T170-H174 VanDerWaalsContact O-N 3.15Å; S171-H174 PolarHBondContact O-N 3.49Å; L172-H174 VanDerWaalsContact C-N 3.31Å; L172-H174 PolarHBondContact O-N 2.84Å; H174-A176 VanDerWaalsContact C-N 3.34Å; H174-A176 PolarHBondContact O-N 2.93Å; H174-K177 PolarHBondContact O-N 3.31Å; H174-G178 PolarHBondContact O-N 2.98Å
175A98.6Very high96.2Very high0 Ų034.3 Ų34.30%019%0.191CC..Hα-helixtrans-60-44.9170.800000111.3M154 S171 L172 G178 L179 V202 F548 L550M154-A175 HydrophobicContact CE-CB 4.49Å; M154-A175 HydrophobicContact SD-CB 3.86Å; S171-A175 PolarHBondContact O-N 3.23Å; L172-A175 PolarHBondContact O-N 3.05Å; A175-G178 PolarHBondContact O-N 3.21Å; A175-L179 WeakPolarHBondContact O-CB 3.49Å; A175-L179 VanDerWaalsContact O-CG 3.29Å; A175-L179 WeakPolarHBondContact O-CG 3.27Å; A175-L179 PolarHBondContact O-N 3.44Å; A175-V202 HydrophobicContact CB-CG1 4.36Å; A175-V202 HydrophobicContact CB-CG2 4.18Å; A175-F548 HydrophobicContact CB-CE1 4.08Å; A175-F548 HydrophobicContact CB-CE2 4.25Å; A175-F548 HydrophobicContact CB-CZ 3.74Å; A175-L550 HydrophobicContact CB-CD2 3.91Å
176A98.4Very high96.2Very high0 Ų034.4 Ų34.40%019%0.191CC..Hα-helixtrans-64-41.717600000112.6L172 Y173 H174 L179 M180 V202 M205 M206 M209L172-A176 PolarHBondContact O-N 2.91Å; Y173-A176 PolarHBondContact O-N 3.45Å; H174-A176 VanDerWaalsContact C-N 3.34Å; H174-A176 PolarHBondContact O-N 2.93Å; A176-L179 PolarHBondContact O-N 3.15Å; A176-M180 WeakPolarHBondContact O-CG 3.32Å; A176-M180 PolarHBondContact O-N 2.52Å; A176-V202 HydrophobicContact CB-CG1 4.29Å; A176-M205 HydrophobicContact CB-CB 3.73Å; A176-M206 HydrophobicContact CB-CB 4.32Å; A176-M209 HydrophobicContact CB-CE 4.15Å; A176-M209 HydrophobicContact CB-SD 4.11Å
177K97Very high96.2Very high35 Ų3529 Ų2915%0.15217%0.166CC..Hα-helixtrans-64.2-45.4175.8-171179.9167.7-1740111.5E139 S141 D143 Y173 H174 L179 M180 T181E139-K177 IonicContact OE1-NZ 3.11Å; S141-K177 PolarHBondContact OG-NZ 3.43Å; D143-K177 WeakPolarHBondContact OD2-CD 3.33Å; D143-K177 WeakPolarHBondContact OD2-CE 3.48Å; D143-K177 VanDerWaalsContact OD2-CG 3.29Å; D143-K177 WeakPolarHBondContact OD2-CG 3.35Å; Y173-K177 HydrophobicContact CE1-CD 4.34Å; Y173-K177 PolarHBondContact O-N 3.36Å; H174-K177 PolarHBondContact O-N 3.31Å; K177-L179 VanDerWaalsContact C-N 3.35Å; K177-L179 PolarHBondContact O-N 3.48Å; K177-M180 WeakPolarHBondContact O-CB 3.4Å; K177-M180 PolarHBondContact O-N 2.94Å; K177-M180 VanDerWaalsContact O-N 3.11Å; K177-T181 PolarHBondContact O-N 3.15Å; K177-T181 PolarHBondContact O-OG1 3.06Å
178G97.9Very high96.2Very high1 Ų126.9 Ų26.91%0.0114%0.142CC..Hα-helixtrans-59.1-42.7174.300000112.6H174 A175 M180 T181 L182H174-G178 PolarHBondContact O-N 2.98Å; A175-G178 PolarHBondContact O-N 3.21Å; G178-M180 PolarHBondContact O-N 3.17Å; G178-T181 WeakPolarHBondContact O-CB 3.09Å; G178-T181 PolarHBondContact O-N 3.31Å; G178-L182 WeakPolarHBondContact O-CG 3.34Å; G178-L182 PolarHBondContact O-N 3.27Å
179L98.3Very high96.3Very high0 Ų023.9 Ų23.90%013%0.126CC..Hα-helixtrans-62.8-39.4173.1-75.1166.1000112.4A175 A176 K177 T181 L182 Q183 V202 M206 L227 L229 L546 F548A175-L179 WeakPolarHBondContact O-CB 3.49Å; A175-L179 VanDerWaalsContact O-CG 3.29Å; A175-L179 WeakPolarHBondContact O-CG 3.27Å; A175-L179 PolarHBondContact O-N 3.44Å; A176-L179 PolarHBondContact O-N 3.15Å; K177-L179 VanDerWaalsContact C-N 3.35Å; K177-L179 PolarHBondContact O-N 3.48Å; L179-T181 VanDerWaalsContact C-N 3.34Å; L179-L182 PolarHBondContact O-N 2.96Å; L179-Q183 WeakPolarHBondContact O-CG 3.42Å; L179-Q183 PolarHBondContact O-N 2.62Å; L179-V202 HydrophobicContact CD1-CG1 3.64Å; L179-M206 HydrophobicContact CB-CG 4.33Å; L179-M206 HydrophobicContact CB-SD 3.67Å; L179-M206 HydrophobicContact CD1-SD 4.05Å; L179-M206 HydrophobicContact CG-SD 4.38Å; L179-L227 HydrophobicContact CD1-CD2 4.06Å; L179-L227 HydrophobicContact CD2-CD1 3.74Å; L179-L227 HydrophobicContact CD2-CD2 3.96Å; L179-L229 HydrophobicContact CD1-CD2 3.99Å; L179-L546 HydrophobicContact CD2-CD2 3.8Å; L179-F548 HydrophobicContact CD1-CD2 4.22Å; L179-F548 HydrophobicContact CD2-CD2 3.92Å; L179-F548 HydrophobicContact CD2-CE2 4.5Å; L179-F548 HydrophobicContact CG-CD2 4Å; L179-F548 HydrophobicContact CG-CE2 4.22Å
180M96.1Very high96.3Very high37 Ų3720.3 Ų20.318%0.18211%0.112CC..Hα-helixtrans-62.2-41.2173.4-75-59.5-61.300112A176 K177 G178 Q183 A184 M206 M209 K210A176-M180 WeakPolarHBondContact O-CG 3.32Å; A176-M180 PolarHBondContact O-N 2.52Å; K177-M180 WeakPolarHBondContact O-CB 3.4Å; K177-M180 PolarHBondContact O-N 2.94Å; K177-M180 VanDerWaalsContact O-N 3.11Å; G178-M180 PolarHBondContact O-N 3.17Å; M180-Q183 PolarHBondContact O-N 3.36Å; M180-Q183 PolarHBondContact SD-NE2 3.43Å; M180-Q183 VanDerWaalsContact SD-NE2 3.43Å; M180-A184 PolarHBondContact O-N 3.38Å; M180-M206 HydrophobicContact CG-CG 4.1Å; M180-M206 HydrophobicContact SD-CG 3.76Å; M180-M209 HydrophobicContact CG-CB 4.02Å; M180-M209 HydrophobicContact CG-SD 4.02Å; M180-M209 HydrophobicContact SD-CB 4.37Å; M180-K210 HydrophobicContact CE-CB 3.82Å; M180-K210 HydrophobicContact CE-CG 4.26Å; M180-K210 HydrophobicContact SD-CB 4.01Å
181T95.7Very high96.4Very high47 Ų4720.1 Ų20.129%0.28811%0.107SC..Hα-helixtrans-60.5-45.3172.9-60.50000111.4L15 K177 G178 L179 Q183 A184 L185L15-T181 HydrophobicContact CD1-CG2 3.94Å; K177-T181 PolarHBondContact O-N 3.15Å; K177-T181 PolarHBondContact O-OG1 3.06Å; G178-T181 WeakPolarHBondContact O-CB 3.09Å; G178-T181 PolarHBondContact O-N 3.31Å; L179-T181 VanDerWaalsContact C-N 3.34Å; T181-Q183 VanDerWaalsContact C-N 3.33Å; T181-Q183 PolarHBondContact O-N 2.86Å; T181-A184 PolarHBondContact O-N 2.75Å; T181-L185 HydrophobicContact CG2-CD1 4.17Å; T181-L185 WeakPolarHBondContact O-CG 3.31Å; T181-L185 PolarHBondContact O-N 3.27Å; T181-L185 VanDerWaalsContact O-N 3.1Å
182L96.9Very high96.5Very high0 Ų020 Ų200%011%0.106CC..Hα-helixtrans-59.9-43.2174.4-67.5-178.6000111.6L15 L144 L152 G178 L179 A184 L185 Y186 L546L15-L182 HydrophobicContact CD2-CD2 4.07Å; L144-L182 HydrophobicContact CD1-CD1 3.69Å; L144-L182 HydrophobicContact CD1-CD2 4.42Å; L144-L182 HydrophobicContact CD1-CG 3.88Å; L152-L182 HydrophobicContact CD1-CD1 3.89Å; L152-L182 HydrophobicContact CD1-CD2 4.02Å; G178-L182 WeakPolarHBondContact O-CG 3.34Å; G178-L182 PolarHBondContact O-N 3.27Å; L179-L182 PolarHBondContact O-N 2.96Å; L182-A184 VanDerWaalsContact C-N 3.3Å; L182-A184 PolarHBondContact O-N 3.02Å; L182-L185 PolarHBondContact O-N 3.46Å; L182-Y186 HydrophobicContact CB-CD2 4.28Å; L182-Y186 HydrophobicContact CD2-CD2 3.94Å; L182-Y186 HydrophobicContact CD2-CE2 3.7Å; L182-Y186 WeakPolarHBondContact O-CB 3.37Å; L182-Y186 VanDerWaalsContact O-CD2 3.29Å; L182-Y186 WeakPolarHBondContact O-CD2 3.49Å; L182-Y186 PolarHBondContact O-N 3.16Å; L182-L546 HydrophobicContact CD1-CD2 3.61Å
183Q95.1Very high96.5Very high1 Ų120.9 Ų20.91%0.00511%0.11CC..Hα-helixtrans-64.4-34.1177.5-71-166.6130.900113.3L179 M180 T181 L185 G187 I189 N218L179-Q183 WeakPolarHBondContact O-CG 3.42Å; L179-Q183 PolarHBondContact O-N 2.62Å; M180-Q183 PolarHBondContact O-N 3.36Å; M180-Q183 PolarHBondContact SD-NE2 3.43Å; M180-Q183 VanDerWaalsContact SD-NE2 3.43Å; T181-Q183 VanDerWaalsContact C-N 3.33Å; T181-Q183 PolarHBondContact O-N 2.86Å; Q183-L185 VanDerWaalsContact C-N 3.33Å; Q183-G187 WeakPolarHBondContact CA-O 3.37Å; Q183-G187 CarbonylContact O-C 3.49Å; Q183-G187 VanDerWaalsContact O-CA 3.23Å; Q183-G187 WeakPolarHBondContact O-CA 3.46Å; Q183-G187 PolarHBondContact O-N 3.31Å; Q183-I189 HydrophobicContact CG-CG1 4.06Å; Q183-I189 VanDerWaalsContact OE1-N 3.08Å; Q183-N218 PolarHBondContact O-ND2 2.91Å
184A93.6Very high96.6Very high50 Ų5016.3 Ų16.341%0.4139%0.092SC..Hα-helixtrans-68-33.2175.700000112.2M180 T181 L182 I220M180-A184 PolarHBondContact O-N 3.38Å; T181-A184 PolarHBondContact O-N 2.75Å; L182-A184 VanDerWaalsContact C-N 3.3Å; L182-A184 PolarHBondContact O-N 3.02Å; A184-I220 VanDerWaalsContact O-CD1 3.24Å; A184-I220 WeakPolarHBondContact O-CD1 3.2Å
185L94.9Very high96.6Very high45 Ų4515.9 Ų15.924%0.2369%0.09CC..Hα-helixtrans-88.7-34.6-179.4-64.7175.1000113.7V14 L15 A18 T181 L182 Q183V14-L185 HydrophobicContact CG1-CB 4.46Å; V14-L185 HydrophobicContact CG1-CD2 4.22Å; L15-L185 HydrophobicContact CB-CD1 4.11Å; L15-L185 HydrophobicContact CD1-CD1 3.73Å; A18-L185 HydrophobicContact CB-CD1 4.28Å; A18-L185 HydrophobicContact CB-CD2 4.2Å; T181-L185 HydrophobicContact CG2-CD1 4.17Å; T181-L185 WeakPolarHBondContact O-CG 3.31Å; T181-L185 PolarHBondContact O-N 3.27Å; T181-L185 VanDerWaalsContact O-N 3.1Å; L182-L185 PolarHBondContact O-N 3.46Å; Q183-L185 VanDerWaalsContact C-N 3.33Å
186Y95.2Very high96.6Very high10 Ų1015.9 Ų15.94%0.0399%0.09CC..Hα-helixtrans-119.48.8-168.8-58.2-72.7000113.8V10 N11 L12 V14 L15 L182 V223 F224V10-Y186 HydrophobicContact CG1-CD1 4.09Å; V10-Y186 HydrophobicContact CG1-CE1 3.83Å; N11-Y186 WeakPolarHBondContact O-CE1 3.41Å; N11-Y186 PolarHBondContact O-OH 2.69Å; L12-Y186 WeakPolarHBondContact CA-OH 3.21Å; V14-Y186 HydrophobicContact CB-CE1 4.32Å; L15-Y186 PolarHBondContact N-OH 2.88Å; L182-Y186 HydrophobicContact CB-CD2 4.28Å; L182-Y186 HydrophobicContact CD2-CD2 3.94Å; L182-Y186 HydrophobicContact CD2-CE2 3.7Å; L182-Y186 WeakPolarHBondContact O-CB 3.37Å; L182-Y186 VanDerWaalsContact O-CD2 3.29Å; L182-Y186 WeakPolarHBondContact O-CD2 3.49Å; L182-Y186 PolarHBondContact O-N 3.16Å; Y186-V223 HydrophobicContact CD1-CG2 4.35Å; Y186-V223 PolarHBondContact O-N 3.2Å; Y186-F224 AromaticContact CD2-CE2 3.99Å; Y186-F224 HydrophobicContact CD2-CE2 3.99Å; Y186-F224 AromaticContact CG-CE2 3.95Å; Y186-F224 HydrophobicContact CG-CE2 3.95Å
187G94.2Very high96.6Very high1 Ų121 Ų211%0.0111%0.114CC..  trans83.8159.3-176.700000113.2Q183 I189 I220Q183-G187 WeakPolarHBondContact CA-O 3.37Å; Q183-G187 CarbonylContact O-C 3.49Å; Q183-G187 VanDerWaalsContact O-CA 3.23Å; Q183-G187 WeakPolarHBondContact O-CA 3.46Å; Q183-G187 PolarHBondContact O-N 3.31Å; G187-I189 PolarHBondContact O-N 3.01Å; G187-I220 WeakPolarHBondContact CA-O 3.46Å
188T94.5Very high96.7Very high10 Ų1019.7 Ų19.76%0.06111%0.109CC..  trans-60.7129.6178.2-74.60000110.8P190 K210 P222 Q527 L529T188-P190 VanDerWaalsContact O-CD 3.27Å; T188-P190 WeakPolarHBondContact O-CD 3.39Å; T188-K210 PolarHBondContact OG1-NZ 2.77Å; T188-P222 VanDerWaalsContact O-CB 3.29Å; T188-P222 WeakPolarHBondContact O-CB 3.36Å; T188-P222 VanDerWaalsContact O-CG 3.23Å; T188-P222 WeakPolarHBondContact O-CG 3.33Å; T188-Q527 HydrophobicContact CG2-CB 3.85Å; T188-L529 HydrophobicContact CG2-CD2 3.54Å
189I96Very high96.7Very high0 Ų019.6 Ų19.60%011%0.109CC..  trans-76.1116.2175.7-48-175000109.3Q183 G187 F224 N226 L227 Q527 L546Q183-I189 HydrophobicContact CG-CG1 4.06Å; Q183-I189 VanDerWaalsContact OE1-N 3.08Å; G187-I189 PolarHBondContact O-N 3.01Å; I189-F224 HydrophobicContact CD1-CB 4Å; I189-F224 HydrophobicContact CD1-CD2 4.12Å; I189-F224 HydrophobicContact CD1-CG 4.21Å; I189-F224 HydrophobicContact CG1-CB 3.93Å; I189-F224 HydrophobicContact CG1-CD2 4.35Å; I189-F224 HydrophobicContact CG1-CG 4.5Å; I189-F224 HydrophobicContact CG2-CB 3.99Å; I189-N226 VanDerWaalsContact CG2-C 3.45Å; I189-L227 HydrophobicContact CB-CB 4.45Å; I189-L227 HydrophobicContact CD1-CB 4.17Å; I189-L227 HydrophobicContact CG2-CB 3.87Å; I189-Q527 PolarHBondContact O-NE2 2.8Å; I189-L546 HydrophobicContact CD1-CB 4.48Å; I189-L546 HydrophobicContact CD1-CD2 3.83Å
190P95.2Very high96.7Very high24 Ų2422.6 Ų22.616%0.15612%0.12CC..SBendtrans-67.2-45.6-167.9-21.731.7000114.7T188 P222 F224 D225 Q527 L529T188-P190 VanDerWaalsContact O-CD 3.27Å; T188-P190 WeakPolarHBondContact O-CD 3.39Å; P190-P222 HydrophobicContact CG-CB 4.02Å; P190-P222 HydrophobicContact CG-CG 4.12Å; P190-F224 WeakPolarHBondContact CD-O 3.32Å; P190-D225 WeakPolarHBondContact CD-O 3.44Å; P190-Q527 PolarHBondContact O-N 3.28Å; P190-L529 HydrophobicContact CB-CD1 3.98Å; P190-L529 HydrophobicContact CG-CD1 3.85Å
191Q97.1Very high96.8Very high51 Ų5123.4 Ų23.424%0.23812%0.123CC..EExtended strand (participates in β ladder)trans-112131.9-177-55.5-156.2-84.200110.3F193 D225 N226 L227 E524Q191-F193 HydrophobicContact CB-CD2 4.47Å; Q191-F193 HydrophobicContact CB-CE2 3.69Å; Q191-F193 HydrophobicContact CB-CZ 4.21Å; Q191-D225 PolarHBondContact N-O 3.02Å; Q191-N226 CarbonylContact O-C 3.45Å; Q191-N226 WeakPolarHBondContact O-CA 3.48Å; Q191-N226 PolarHBondContact OE1-OD1 3.28Å; Q191-L227 PolarHBondContact O-N 2.89Å; Q191-E524 PolarHBondContact NE2-OE1 3.37Å
192I98.5Very high97Very high0 Ų021.1 Ų21.10%011%0.109CC..EExtended strand (participates in β ladder)trans-118124.3175.2-52.2160.3000107.6A203 M206 I207 L227 L229 F523 E524 E525 Q527I192-A203 HydrophobicContact CG2-CB 4.36Å; I192-M206 HydrophobicContact CD1-CE 3.26Å; I192-M206 HydrophobicContact CG1-CE 3.97Å; I192-I207 HydrophobicContact CD1-CD1 4.12Å; I192-I207 HydrophobicContact CD1-CG1 4.22Å; I192-L227 CarbonylContact C-O 3.49Å; I192-L227 WeakPolarHBondContact CA-O 3.28Å; I192-L227 HydrophobicContact CG1-CB 4.41Å; I192-L227 HydrophobicContact CG1-CD2 4.33Å; I192-L227 HydrophobicContact CG2-CB 4.44Å; I192-L227 HydrophobicContact CG2-CD2 4.06Å; I192-L227 HydrophobicContact CG2-CG 4.27Å; I192-L229 HydrophobicContact CG2-CD1 4.32Å; I192-F523 HydrophobicContact CG2-CE2 4.27Å; I192-E524 CarbonylContact O-C 3.58Å; I192-E524 WeakPolarHBondContact O-CA 3.42Å; I192-E525 HydrophobicContact CB-CB 4.25Å; I192-E525 HydrophobicContact CD1-CB 4.46Å; I192-E525 PolarHBondContact N-O 2.85Å; I192-E525 PolarHBondContact O-N 3.31Å; I192-Q527 HydrophobicContact CD1-CG 3.72Å; I192-Q527 HydrophobicContact CG1-CG 4.39Å
193F98.7Very high97.1Very high21 Ų2121.1 Ų21.19%0.09211%0.109CC..EExtended strand (participates in β ladder)trans-112.8150.3169.9-58.1-87.1000108.2Q191 N226 L227 L228 L229 L503 W508 F523 E524Q191-F193 HydrophobicContact CB-CD2 4.47Å; Q191-F193 HydrophobicContact CB-CE2 3.69Å; Q191-F193 HydrophobicContact CB-CZ 4.21Å; F193-N226 HydrophobicContact CD2-CB 4.4Å; F193-N226 HydrophobicContact CE2-CB 4.28Å; F193-L227 PolarHBondContact N-O 2.76Å; F193-L228 HydrophobicContact CB-CD1 3.98Å; F193-L228 CarbonylContact O-C 3.53Å; F193-L228 WeakPolarHBondContact O-CA 3.42Å; F193-L229 PolarHBondContact O-N 3.27Å; F193-L503 HydrophobicContact CB-CD1 4.31Å; F193-L503 HydrophobicContact CB-CD2 3.87Å; F193-L503 HydrophobicContact CD1-CD1 3.6Å; F193-L503 HydrophobicContact CD1-CD2 4.48Å; F193-L503 HydrophobicContact CD2-CD1 4.24Å; F193-L503 HydrophobicContact CD2-CD2 3.83Å; F193-L503 HydrophobicContact CD2-CG 4.48Å; F193-L503 HydrophobicContact CE1-CD1 3.87Å; F193-L503 HydrophobicContact CE2-CD1 4.48Å; F193-L503 HydrophobicContact CG-CD1 3.78Å; F193-L503 HydrophobicContact CG-CD2 3.8Å; F193-L503 HydrophobicContact CG-CG 4.38Å; F193-L503 HydrophobicContact CZ-CD1 4.31Å; F193-W508 HydrophobicContact CB-CZ3 4.34Å; F193-F523 WeakPolarHBondContact CA-O 3.47Å; F193-E524 HydrophobicContact CD1-CB 3.96Å; F193-E524 HydrophobicContact CD1-CG 3.94Å; F193-E524 HydrophobicContact CE1-CB 3.97Å; F193-E524 HydrophobicContact CE1-CG 3.5Å; F193-E524 HydrophobicContact CZ-CG 4.18Å
194G98.7Very high97.2Very high0 Ų025.1 Ų25.10%013%0.131CC..EExtended strand (participates in β ladder)trans-154149.8173.600000113.2L229 W508 H522 F523G194-L229 CarbonylContact C-O 3.55Å; G194-L229 WeakPolarHBondContact CA-O 3.29Å; G194-W508 WeakPolarHBondContact O-CZ3 3.27Å; G194-H522 CarbonylContact O-C 3.54Å; G194-H522 VanDerWaalsContact O-CA 3.24Å; G194-H522 WeakPolarHBondContact O-CA 3.36Å; G194-F523 PolarHBondContact N-O 2.89Å; G194-F523 VanDerWaalsContact N-O 3.08Å; G194-F523 WeakPolarHBondContact O-CD1 3.38Å; G194-F523 PolarHBondContact O-N 2.87Å
195K98.8Very high97.4Very high0 Ų024.8 Ų24.80%012%0.121CC..EExtended strand (participates in β ladder)trans-134.4114.1172.9177.461.4-169.6169.80109L229 L230 D231 V234 L499 W508 L515 L518 P519 G520 P521 H522K195-L229 PolarHBondContact N-O 3.37Å; K195-L230 HydrophobicContact CB-CD2 3.88Å; K195-D231 PolarHBondContact O-N 2.98Å; K195-V234 HydrophobicContact CD-CG2 4.48Å; K195-V234 HydrophobicContact CG-CB 4.37Å; K195-V234 HydrophobicContact CG-CG1 3.77Å; K195-V234 HydrophobicContact CG-CG2 3.67Å; K195-L499 HydrophobicContact CG-CD1 4.49Å; K195-W508 HydrophobicContact CB-CH2 3.73Å; K195-W508 HydrophobicContact CB-CZ3 4.27Å; K195-L515 HydrophobicContact CD-CD2 4.36Å; K195-L515 PolarHBondContact NZ-O 3.17Å; K195-L518 VanDerWaalsContact CE-CB 3.42Å; K195-L518 PolarHBondContact NZ-O 2.98Å; K195-P519 WeakPolarHBondContact CE-O 3.3Å; K195-P519 PolarHBondContact NZ-O 2.97Å; K195-P519 VanDerWaalsContact NZ-O 3.07Å; K195-G520 PolarHBondContact NZ-O 3.4Å; K195-P521 CarbonylContact C-O 3.54Å; K195-P521 WeakPolarHBondContact CA-O 3.45Å; K195-H522 HydrophobicContact CD-CB 3.93Å
196G98.5Very high97.5Very high1 Ų122.6 Ų22.61%0.0111%0.11CC..SBendtrans124.1165.5-178.400000114.7R200 D231 P521G196-R200 PolarHBondContact O-N 3.24Å; G196-D231 VanDerWaalsContact CA-CG 3.4Å; G196-D231 WeakPolarHBondContact CA-OD2 3.26Å; G196-P521 PolarHBondContact N-O 3.36Å
197E98Very high97.4Very high106 Ų10623.6 Ų23.650%0.49512%0.115SC..Hα-helixtrans-74.6-42.3-179.7-67.9-62.6162.500111.1A199 R200 Q201 D231 P521E197-A199 VanDerWaalsContact C-N 3.31Å; E197-A199 PolarHBondContact O-N 2.94Å; E197-R200 PolarHBondContact O-N 2.89Å; E197-Q201 WeakPolarHBondContact O-CG 3.47Å; E197-Q201 PolarHBondContact O-N 3.36Å; E197-D231 PolarHBondContact N-OD2 3.3Å; E197-P521 VanDerWaalsContact CD-CD 3.49Å; E197-P521 WeakPolarHBondContact OE1-CD 3.36Å
198C98.5Very high97.5Very high8 Ų831.2 Ų31.25%0.05414%0.144CC..Hα-helixtrans-64.6-40.9177.7-55.70000110.1L172 R200 Q201 V202 D231 L550L172-C198 HydrophobicContact CD1-CB 3.73Å; L172-C198 HydrophobicContact CD2-CB 3.7Å; L172-C198 HydrophobicContact CG-CB 4.39Å; C198-R200 VanDerWaalsContact C-N 3.32Å; C198-R200 PolarHBondContact O-N 3.44Å; C198-Q201 PolarHBondContact O-N 3.03Å; C198-Q201 VanDerWaalsContact O-N 3.14Å; C198-V202 WeakPolarHBondContact O-CG2 3.39Å; C198-V202 PolarHBondContact O-N 3.1Å; C198-D231 WeakPolarHBondContact CA-OD1 3.48Å; C198-D231 VanDerWaalsContact CB-OD1 3.27Å; C198-D231 WeakPolarHBondContact CB-OD1 3.34Å; C198-D231 WeakPolarHBondContact CB-OD2 3.44Å; C198-D231 PolarHBondContact N-OD1 3.17Å; C198-D231 PolarHBondContact N-OD2 3.48Å; C198-L550 HydrophobicContact CB-CB 4.33Å; C198-L550 HydrophobicContact CB-CD1 3.99Å
199A98.7Very high97.5Very high0 Ų032.5 Ų32.50%015%0.15CC..Hα-helixtrans-55.3-46173.900000111.7E197 A203 L229 D231 F523 L550E197-A199 VanDerWaalsContact C-N 3.31Å; E197-A199 PolarHBondContact O-N 2.94Å; A199-A203 WeakPolarHBondContact O-CB 3.2Å; A199-A203 PolarHBondContact O-N 3.36Å; A199-L229 HydrophobicContact CB-CB 3.56Å; A199-L229 VanDerWaalsContact O-CD1 3.26Å; A199-L229 WeakPolarHBondContact O-CD1 3.38Å; A199-D231 WeakPolarHBondContact CB-OD1 3.44Å; A199-D231 PolarHBondContact N-OD1 2.9Å; A199-F523 HydrophobicContact CB-CE1 4.2Å; A199-F523 HydrophobicContact CB-CZ 4.44Å; A199-L550 VanDerWaalsContact CA-CD1 3.43Å; A199-L550 HydrophobicContact CB-CD1 4.08Å; A199-L550 VanDerWaalsContact N-CD1 3.32Å
200R98.6Very high97.2Very high62 Ų6235 Ų3523%0.23416%0.16CC..Hα-helixtrans-63.5-42.9176.9176.757.774.7171.417.2111.6G196 E197 C198 A203 N204 P521 F523 E525G196-R200 PolarHBondContact O-N 3.24Å; E197-R200 PolarHBondContact O-N 2.89Å; C198-R200 VanDerWaalsContact C-N 3.32Å; C198-R200 PolarHBondContact O-N 3.44Å; R200-A203 PolarHBondContact O-N 3.38Å; R200-N204 WeakPolarHBondContact O-CB 3.19Å; R200-N204 PolarHBondContact O-N 3.45Å; R200-N204 PolarHBondContact O-ND2 3.07Å; R200-P521 HydrophobicContact CB-CG 4.17Å; R200-F523 HydrophobicContact CB-CD1 4.42Å; R200-F523 HydrophobicContact CB-CE1 3.86Å; R200-F523 HydrophobicContact CB-CZ 4.48Å; R200-F523 VanDerWaalsContact CZ-CB 3.5Å; R200-E525 IonicContact CZ-OE1 3.71Å; R200-E525 IonicContact NH1-OE1 3.31Å; R200-E525 PolarHBondContact NH1-OE1 3.21Å
201Q98.4Very high96.9Very high54 Ų5443 Ų4325%0.25219%0.187SC..Hα-helixtrans-64.4-46178.9-68.3174.827.200112.1Q169 L172 E197 C198 A203 N204 M205Q169-Q201 VanDerWaalsContact NE2-OE1 3.09Å; L172-Q201 HydrophobicContact CD1-CB 4.32Å; E197-Q201 WeakPolarHBondContact O-CG 3.47Å; E197-Q201 PolarHBondContact O-N 3.36Å; C198-Q201 PolarHBondContact O-N 3.03Å; C198-Q201 VanDerWaalsContact O-N 3.14Å; Q201-A203 PolarHBondContact O-N 2.81Å; Q201-N204 PolarHBondContact O-N 2.89Å; Q201-M205 WeakPolarHBondContact O-CG 3.49Å; Q201-M205 PolarHBondContact O-N 2.83Å
202V98.8Very high96.5Very high0 Ų046.2 Ų46.20%020%0.202CC..Hα-helixtrans-60.1-46.7176.7171.10000110.9L172 A175 A176 L179 C198 N204 M205 M206 L229 L550L172-V202 HydrophobicContact CB-CG2 3.83Å; L172-V202 HydrophobicContact CD2-CG2 3.99Å; L172-V202 HydrophobicContact CG-CG2 4.4Å; A175-V202 HydrophobicContact CB-CG1 4.36Å; A175-V202 HydrophobicContact CB-CG2 4.18Å; A176-V202 HydrophobicContact CB-CG1 4.29Å; L179-V202 HydrophobicContact CD1-CG1 3.64Å; C198-V202 WeakPolarHBondContact O-CG2 3.39Å; C198-V202 PolarHBondContact O-N 3.1Å; V202-N204 VanDerWaalsContact C-N 3.35Å; V202-N204 PolarHBondContact O-N 3.41Å; V202-M205 HydrophobicContact CG2-CE 4.48Å; V202-M205 PolarHBondContact O-N 2.98Å; V202-M206 WeakPolarHBondContact O-CB 3.34Å; V202-M206 PolarHBondContact O-N 2.63Å; V202-L229 HydrophobicContact CB-CD1 4.19Å; V202-L229 HydrophobicContact CG1-CD1 4.02Å; V202-L229 HydrophobicContact CG1-CD2 4.28Å; V202-L550 HydrophobicContact CB-CD1 4.29Å; V202-L550 HydrophobicContact CG2-CD1 3.85Å; V202-L550 HydrophobicContact CG2-CD2 3.97Å
203A98.6Very high95.7Very high0 Ų052.5 Ų52.50%023%0.23CC..Hα-helixtrans-58.5-46.2176.400000111.9I192 A199 R200 Q201 M206 I207 L229 F523I192-A203 HydrophobicContact CG2-CB 4.36Å; A199-A203 WeakPolarHBondContact O-CB 3.2Å; A199-A203 PolarHBondContact O-N 3.36Å; R200-A203 PolarHBondContact O-N 3.38Å; Q201-A203 PolarHBondContact O-N 2.81Å; A203-M206 PolarHBondContact O-N 3.37Å; A203-I207 WeakPolarHBondContact O-CB 3.45Å; A203-I207 WeakPolarHBondContact O-CD1 3.25Å; A203-I207 VanDerWaalsContact O-CG1 3.24Å; A203-I207 WeakPolarHBondContact O-CG1 3.42Å; A203-I207 PolarHBondContact O-N 3.31Å; A203-L229 HydrophobicContact CB-CD1 3.86Å; A203-F523 HydrophobicContact CB-CE2 3.78Å; A203-F523 HydrophobicContact CB-CZ 3.76Å
204N98.3Very high93.8Very high84 Ų8457.7 Ų57.745%0.44926%0.264SS..Hα-helixtrans-62.7-45178.7-72.1-12.8000112R200 Q201 V202 R208R200-N204 WeakPolarHBondContact O-CB 3.19Å; R200-N204 PolarHBondContact O-N 3.45Å; R200-N204 PolarHBondContact O-ND2 3.07Å; Q201-N204 PolarHBondContact O-N 2.89Å; V202-N204 VanDerWaalsContact C-N 3.35Å; V202-N204 PolarHBondContact O-N 3.41Å; N204-R208 VanDerWaalsContact O-CB 3.26Å; N204-R208 WeakPolarHBondContact O-CB 3.44Å; N204-R208 PolarHBondContact O-N 2.86Å
205M98.1Very high91.8Very high43 Ų4360.8 Ų60.821%0.21230%0.296CS..Hα-helixtrans-62.1-47.8176.7-75.7-169.8-73.600111.5L172 Y173 A176 Q201 V202 I207 R208 M209L172-M205 VanDerWaalsContact C-CE 3.43Å; L172-M205 HydrophobicContact CB-CE 3.66Å; L172-M205 WeakPolarHBondContact O-CE 3.45Å; Y173-M205 HydrophobicContact CD2-SD 4.41Å; A176-M205 HydrophobicContact CB-CB 3.73Å; Q201-M205 WeakPolarHBondContact O-CG 3.49Å; Q201-M205 PolarHBondContact O-N 2.83Å; V202-M205 HydrophobicContact CG2-CE 4.48Å; V202-M205 PolarHBondContact O-N 2.98Å; M205-I207 PolarHBondContact O-N 3Å; M205-R208 PolarHBondContact O-N 3Å; M205-M209 WeakPolarHBondContact O-CB 3.46Å; M205-M209 VanDerWaalsContact O-CG 3.25Å; M205-M209 WeakPolarHBondContact O-CG 3.21Å; M205-M209 PolarHBondContact O-N 3.02Å
206M95.8Very high90Very high0 Ų064.3 Ų64.30%032%0.32CS..Hα-helixtrans-59.7-47.2178.8-177-172.46700111.7A176 L179 M180 I192 V202 A203 R208 M209 K210 L227A176-M206 HydrophobicContact CB-CB 4.32Å; L179-M206 HydrophobicContact CB-CG 4.33Å; L179-M206 HydrophobicContact CB-SD 3.67Å; L179-M206 HydrophobicContact CD1-SD 4.05Å; L179-M206 HydrophobicContact CG-SD 4.38Å; M180-M206 HydrophobicContact CG-CG 4.1Å; M180-M206 HydrophobicContact SD-CG 3.76Å; I192-M206 HydrophobicContact CD1-CE 3.26Å; I192-M206 HydrophobicContact CG1-CE 3.97Å; V202-M206 WeakPolarHBondContact O-CB 3.34Å; V202-M206 PolarHBondContact O-N 2.63Å; A203-M206 PolarHBondContact O-N 3.37Å; M206-R208 VanDerWaalsContact C-N 3.32Å; M206-R208 PolarHBondContact O-N 3.23Å; M206-M209 PolarHBondContact O-N 3.2Å; M206-K210 PolarHBondContact O-N 3.38Å; M206-K210 VanDerWaalsContact O-N 3.08Å; M206-L227 HydrophobicContact CE-CD2 3.87Å; M206-L227 HydrophobicContact SD-CD2 4.04Å
207I94.6Very high88.4Confident31 Ų3171.7 Ų71.716%0.15935%0.354CS..Hα-helixtrans-63.3-40.3178.4-68.9166.3000110.8I192 A203 M205 R211 E525I192-I207 HydrophobicContact CD1-CD1 4.12Å; I192-I207 HydrophobicContact CD1-CG1 4.22Å; A203-I207 WeakPolarHBondContact O-CB 3.45Å; A203-I207 WeakPolarHBondContact O-CD1 3.25Å; A203-I207 VanDerWaalsContact O-CG1 3.24Å; A203-I207 WeakPolarHBondContact O-CG1 3.42Å; A203-I207 PolarHBondContact O-N 3.31Å; M205-I207 PolarHBondContact O-N 3Å; I207-R211 WeakPolarHBondContact O-CG 3.44Å; I207-R211 PolarHBondContact O-N 2.82Å; I207-E525 HydrophobicContact CD1-CB 4.46Å; I207-E525 HydrophobicContact CD1-CG 4.5Å
208R94.9Very high87Confident160 Ų16068.6 Ų68.660%0.60434%0.341SS*.Hα-helixtrans-65.2-49.4177.2179.9-179.4167.4-173.1-5111.9N204 M205 M206 K210 R211 E212N204-R208 VanDerWaalsContact O-CB 3.26Å; N204-R208 WeakPolarHBondContact O-CB 3.44Å; N204-R208 PolarHBondContact O-N 2.86Å; M205-R208 PolarHBondContact O-N 3Å; M206-R208 VanDerWaalsContact C-N 3.32Å; M206-R208 PolarHBondContact O-N 3.23Å; R208-K210 PolarHBondContact O-N 3.13Å; R208-R211 WeakPolarHBondContact O-CB 3.45Å; R208-R211 PolarHBondContact O-N 2.83Å; R208-E212 IonicContact CZ-OE1 3.32Å; R208-E212 IonicContact NE-OE1 3.43Å; R208-E212 PolarHBondContact NE-OE1 3.2Å; R208-E212 IonicContact NH2-OE1 2.97Å; R208-E212 PolarHBondContact NH2-OE1 2.81Å; R208-E212 PolarHBondContact O-N 2.76Å
209M94.6Very high86.2Confident38 Ų3873.1 Ų73.119%0.18737%0.373CS..Hα-helixtrans-53.7-43.2176.7-73.5171.1176.600111.2Y173 A176 M180 M205 M206 R211 E212 F213Y173-M209 HydrophobicContact CD2-CE 3.54Å; Y173-M209 HydrophobicContact CE2-CE 3.27Å; Y173-M209 HydrophobicContact CG-CE 4.4Å; A176-M209 HydrophobicContact CB-CE 4.15Å; A176-M209 HydrophobicContact CB-SD 4.11Å; M180-M209 HydrophobicContact CG-CB 4.02Å; M180-M209 HydrophobicContact CG-SD 4.02Å; M180-M209 HydrophobicContact SD-CB 4.37Å; M205-M209 WeakPolarHBondContact O-CB 3.46Å; M205-M209 VanDerWaalsContact O-CG 3.25Å; M205-M209 WeakPolarHBondContact O-CG 3.21Å; M205-M209 PolarHBondContact O-N 3.02Å; M206-M209 PolarHBondContact O-N 3.2Å; M209-R211 PolarHBondContact O-N 3.21Å; M209-E212 PolarHBondContact O-N 3.06Å; M209-F213 PolarHBondContact O-N 3Å
210K90Very high85.7Confident51 Ų5176.4 Ų76.422%0.22239%0.39CS..Hα-helixtrans-62.5-38.5176.8-171-179.5-176.4-179.40113.5M180 T188 M206 R208 E212 F213 Q527M180-K210 HydrophobicContact CE-CB 3.82Å; M180-K210 HydrophobicContact CE-CG 4.26Å; M180-K210 HydrophobicContact SD-CB 4.01Å; T188-K210 PolarHBondContact OG1-NZ 2.77Å; M206-K210 PolarHBondContact O-N 3.38Å; M206-K210 VanDerWaalsContact O-N 3.08Å; R208-K210 PolarHBondContact O-N 3.13Å; K210-E212 VanDerWaalsContact C-N 3.34Å; K210-F213 PolarHBondContact O-N 3Å; K210-Q527 VanDerWaalsContact CD-OE1 3.31Å
211R88.5Confident85.4Confident193 Ų19379.2 Ų79.273%0.72840%0.404SS*.Hα-helixtrans-68.2-36177.1-70.4173.8-176.2-179.52.4111.9I207 R208 M209 F213 T214I207-R211 WeakPolarHBondContact O-CG 3.44Å; I207-R211 PolarHBondContact O-N 2.82Å; R208-R211 WeakPolarHBondContact O-CB 3.45Å; R208-R211 PolarHBondContact O-N 2.83Å; M209-R211 PolarHBondContact O-N 3.21Å; R211-F213 VanDerWaalsContact C-N 3.34Å; R211-T214 WeakPolarHBondContact O-CG2 3.35Å
212E89.1Confident85.2Confident118 Ų11877.2 Ų77.255%0.55140%0.395SS*.Hα-helixtrans-73-29.3177.6-67.8173.1-178.900111.4R208 M209 K210 T214R208-E212 IonicContact CZ-OE1 3.32Å; R208-E212 IonicContact NE-OE1 3.43Å; R208-E212 PolarHBondContact NE-OE1 3.2Å; R208-E212 IonicContact NH2-OE1 2.97Å; R208-E212 PolarHBondContact NH2-OE1 2.81Å; R208-E212 PolarHBondContact O-N 2.76Å; M209-E212 PolarHBondContact O-N 3.06Å; K210-E212 VanDerWaalsContact C-N 3.34Å; E212-T214 VanDerWaalsContact C-N 3.29Å; E212-T214 PolarHBondContact O-N 2.95Å
213F81.2Confident85Confident133 Ų13379.5 Ų79.558%0.58341%0.41SS*.  trans-80.968.7174.5-152-94.9000112M209 K210 R211 G215M209-F213 PolarHBondContact O-N 3Å; K210-F213 PolarHBondContact O-N 3Å; R211-F213 VanDerWaalsContact C-N 3.34Å; F213-G215 PolarHBondContact O-N 3.19Å
214T59.2Low84.8Confident130 Ų13079.6 Ų79.680%0.79841%0.41SS*.THydrogen-bonded Turntrans-72.2-9.3-177.653.70000114.5R211 E212R211-T214 WeakPolarHBondContact O-CG2 3.35Å; E212-T214 VanDerWaalsContact C-N 3.29Å; E212-T214 PolarHBondContact O-N 2.95Å
215G57.7Low84.7Confident65 Ų6576.8 Ų76.867%0.6740%0.395SS*.THydrogen-bonded Turntrans-87.8-8.3-167.200000117.3F213F213-G215 PolarHBondContact O-N 3.19Å
216S59.9Low84.7Confident73 Ų7375.1 Ų75.151%0.5139%0.387SS..  trans-151.1102.4179.5-600000110.7N218S216-N218 PolarHBondContact O-N 3.34Å; S216-N218 VanDerWaalsContact O-N 3.16Å
217Q64.7Low84.8Confident157 Ų15775.1 Ų75.173%0.73439%0.387SS*.  trans-64.1115.1162.2-69-69.4-22.600107S219Q217-S219 PolarHBondContact O-N 3.23Å
218N68.5Low85Confident41 Ų4173.6 Ų73.622%0.21938%0.379CS..  trans-57.1113.1175.9-71.8-5.9000108.4Q183 S216 L533Q183-N218 PolarHBondContact O-ND2 2.91Å; S216-N218 PolarHBondContact O-N 3.34Å; S216-N218 VanDerWaalsContact O-N 3.16Å; N218-L533 WeakPolarHBondContact O-CD1 3.38Å
219S81.1Confident85.2Confident102 Ų10266 Ų6671%0.71335%0.35SS*.  trans-85.32.9177.353.60000112.9Q217Q217-S219 PolarHBondContact O-N 3.23Å
220I90Very high85.4Confident69 Ų6964.3 Ų64.335%0.35434%0.342SS..SBendtrans-85.6129.4-177.9-54.6178.6000109.2A184 G187A184-I220 VanDerWaalsContact O-CD1 3.24Å; A184-I220 WeakPolarHBondContact O-CD1 3.2Å; G187-I220 WeakPolarHBondContact CA-O 3.46Å
221F91.6Very high85.8Confident121 Ų12162.2 Ų62.253%0.53133%0.333SS..PPolyproline II helixtrans-59.3133.8171.9-79.7-82.8000110.5V223 G532 L533F221-V223 PolarHBondContact O-N 2.9Å; F221-G532 VanDerWaalsContact CE1-O 3.27Å; F221-G532 WeakPolarHBondContact CE1-O 3.22Å; F221-G532 WeakPolarHBondContact CZ-O 3.29Å; F221-L533 HydrophobicContact CD1-CD2 3.9Å; F221-L533 HydrophobicContact CD2-CD2 4.08Å; F221-L533 HydrophobicContact CE1-CD2 3.94Å; F221-L533 HydrophobicContact CE2-CD2 4.12Å; F221-L533 HydrophobicContact CG-CD2 3.97Å; F221-L533 HydrophobicContact CZ-CD2 4.05Å
222P93.8Very high86.2Confident12 Ų1253 Ų538%0.07830%0.299CS..PPolyproline II helixtrans-57.3121176.8-24.934.3000111.9T188 P190 L529T188-P222 VanDerWaalsContact O-CB 3.29Å; T188-P222 WeakPolarHBondContact O-CB 3.36Å; T188-P222 VanDerWaalsContact O-CG 3.23Å; T188-P222 WeakPolarHBondContact O-CG 3.33Å; P190-P222 HydrophobicContact CG-CB 4.02Å; P190-P222 HydrophobicContact CG-CG 4.12Å; P222-L529 HydrophobicContact CG-CD1 4.21Å; P222-L529 HydrophobicContact CG-CD2 4.13Å
223V94.5Very high86.6Confident49 Ų4949.6 Ų49.630%0.29728%0.284SS..SBendtrans-80.1-41.8169.8178.50000110.2V10 Y186 F221V10-V223 HydrophobicContact CG1-CG1 4.49Å; V10-V223 HydrophobicContact CG2-CG1 3.8Å; Y186-V223 HydrophobicContact CD1-CG2 4.35Å; Y186-V223 PolarHBondContact O-N 3.2Å; F221-V223 PolarHBondContact O-N 2.9Å
224F95.6Very high87.4Confident1 Ų143.8 Ų43.80%0.00426%0.259CS..  trans-86.8134173.9-58.7-76.9000110.7V10 Y186 I189 P190 V544 L546 V575V10-F224 HydrophobicContact CB-CZ 4.49Å; V10-F224 HydrophobicContact CG1-CE1 4.37Å; V10-F224 HydrophobicContact CG1-CE2 4.37Å; V10-F224 HydrophobicContact CG1-CZ 3.76Å; V10-F224 HydrophobicContact CG2-CD1 4.45Å; V10-F224 HydrophobicContact CG2-CE1 3.78Å; V10-F224 HydrophobicContact CG2-CZ 4.02Å; Y186-F224 AromaticContact CD2-CE2 3.99Å; Y186-F224 HydrophobicContact CD2-CE2 3.99Å; Y186-F224 AromaticContact CG-CE2 3.95Å; Y186-F224 HydrophobicContact CG-CE2 3.95Å; I189-F224 HydrophobicContact CD1-CB 4Å; I189-F224 HydrophobicContact CD1-CD2 4.12Å; I189-F224 HydrophobicContact CD1-CG 4.21Å; I189-F224 HydrophobicContact CG1-CB 3.93Å; I189-F224 HydrophobicContact CG1-CD2 4.35Å; I189-F224 HydrophobicContact CG1-CG 4.5Å; I189-F224 HydrophobicContact CG2-CB 3.99Å; P190-F224 WeakPolarHBondContact CD-O 3.32Å; F224-V544 HydrophobicContact CD1-CG1 3.74Å; F224-V544 HydrophobicContact CE1-CG1 4.1Å; F224-L546 HydrophobicContact CD1-CB 3.71Å; F224-L546 HydrophobicContact CE1-CB 3.92Å; F224-L546 HydrophobicContact CE1-CD1 4.34Å; F224-L546 HydrophobicContact CG-CB 4.23Å; F224-V575 HydrophobicContact CE1-CB 3.87Å; F224-V575 HydrophobicContact CE1-CG1 4.15Å; F224-V575 HydrophobicContact CE1-CG2 3.93Å; F224-V575 HydrophobicContact CZ-CG1 4.46Å
225D95.1Very high89.3Confident25 Ų2537.7 Ų37.713%0.13422%0.222CC..SBendtrans-87.6-40.6174.8-63-81.7000111.9P190 Q191 R537 R543 V544P190-D225 WeakPolarHBondContact CD-O 3.44Å; Q191-D225 PolarHBondContact N-O 3.02Å; D225-R537 IonicContact OD1-CZ 3.37Å; D225-R537 IonicContact OD1-NH1 2.63Å; D225-R537 PolarHBondContact OD1-NH1 3.22Å; D225-R537 IonicContact OD2-CZ 2.74Å; D225-R537 IonicContact OD2-NH1 2.7Å; D225-R537 PolarHBondContact OD2-NH1 3.25Å; D225-R537 IonicContact OD2-NH2 2.62Å; D225-R543 HydrophobicContact CB-CB 4.35Å; D225-R543 VanDerWaalsContact OD2-CA 3.25Å; D225-R543 WeakPolarHBondContact OD2-CA 3.46Å; D225-V544 PolarHBondContact N-O 3.17Å; D225-V544 PolarHBondContact OD2-N 3.35Å
226N97.2Very high91.2Very high8 Ų835.4 Ų35.44%0.04319%0.194CC..EExtended strand (participates in β ladder)trans-130.5143.4-175.3-49.5-50.3000110.4I189 Q191 F193 V544 T545 L546I189-N226 VanDerWaalsContact CG2-C 3.45Å; Q191-N226 CarbonylContact O-C 3.45Å; Q191-N226 WeakPolarHBondContact O-CA 3.48Å; Q191-N226 PolarHBondContact OE1-OD1 3.28Å; F193-N226 HydrophobicContact CD2-CB 4.4Å; F193-N226 HydrophobicContact CE2-CB 4.28Å; N226-V544 PolarHBondContact N-O 2.92Å; N226-T545 HydrophobicContact CB-CG2 3.97Å; N226-T545 PolarHBondContact ND2-OG1 3.17Å; N226-T545 VanDerWaalsContact ND2-OG1 3.09Å; N226-T545 WeakPolarHBondContact O-CA 3.36Å; N226-L546 PolarHBondContact O-N 3.36Å
227L98.7Very high93Very high0 Ų032.2 Ų32.20%017%0.171CC..EExtended strand (participates in β ladder)trans-108.4128.4160.9172.260.5000107.4L179 I189 Q191 I192 F193 M206 L229 L546 F548L179-L227 HydrophobicContact CD1-CD2 4.06Å; L179-L227 HydrophobicContact CD2-CD1 3.74Å; L179-L227 HydrophobicContact CD2-CD2 3.96Å; I189-L227 HydrophobicContact CB-CB 4.45Å; I189-L227 HydrophobicContact CD1-CB 4.17Å; I189-L227 HydrophobicContact CG2-CB 3.87Å; Q191-L227 PolarHBondContact O-N 2.89Å; I192-L227 CarbonylContact C-O 3.49Å; I192-L227 WeakPolarHBondContact CA-O 3.28Å; I192-L227 HydrophobicContact CG1-CB 4.41Å; I192-L227 HydrophobicContact CG1-CD2 4.33Å; I192-L227 HydrophobicContact CG2-CB 4.44Å; I192-L227 HydrophobicContact CG2-CD2 4.06Å; I192-L227 HydrophobicContact CG2-CG 4.27Å; F193-L227 PolarHBondContact N-O 2.76Å; M206-L227 HydrophobicContact CE-CD2 3.87Å; M206-L227 HydrophobicContact SD-CD2 4.04Å; L227-L229 HydrophobicContact CD1-CD2 3.78Å; L227-L229 HydrophobicContact CD1-CG 4.42Å; L227-L229 HydrophobicContact CD2-CD1 4.49Å; L227-L229 HydrophobicContact CD2-CD2 4Å; L227-L229 HydrophobicContact CD2-CG 4.23Å; L227-L229 HydrophobicContact CG-CD2 3.93Å; L227-L229 HydrophobicContact CG-CG 4.08Å; L227-L546 CarbonylContact C-O 3.57Å; L227-L546 WeakPolarHBondContact CA-O 3.35Å; L227-L546 HydrophobicContact CD1-CB 4.28Å; L227-L546 HydrophobicContact CD1-CD2 4.01Å; L227-L546 HydrophobicContact CD1-CG 4Å; L227-F548 HydrophobicContact CD1-CB 4.45Å
228L98.8Very high94.6Very high0 Ų024.7 Ų24.70%014%0.136CC..EExtended strand (participates in β ladder)trans-117113.3171.2170.156.7000109.1F193 L230 A500 L503 W508 T545 L546 I547 F548F193-L228 HydrophobicContact CB-CD1 3.98Å; F193-L228 CarbonylContact O-C 3.53Å; F193-L228 WeakPolarHBondContact O-CA 3.42Å; L228-L230 HydrophobicContact CD1-CD2 3.77Å; L228-L230 HydrophobicContact CD1-CG 4.07Å; L228-L230 HydrophobicContact CD2-CD1 4.03Å; L228-L230 HydrophobicContact CD2-CD2 4.37Å; L228-L230 HydrophobicContact CD2-CG 4.19Å; L228-L230 HydrophobicContact CG-CD1 4.25Å; L228-L230 HydrophobicContact CG-CD2 4.13Å; L228-L230 HydrophobicContact CG-CG 3.89Å; L228-A500 HydrophobicContact CD2-CB 3.78Å; L228-L503 HydrophobicContact CB-CD2 4.12Å; L228-L503 HydrophobicContact CD1-CD2 3.98Å; L228-L503 HydrophobicContact CD2-CD2 3.85Å; L228-L503 HydrophobicContact CG-CD2 4.18Å; L228-W508 HydrophobicContact CD1-CH2 3.46Å; L228-W508 VanDerWaalsContact CD1-CH2 3.46Å; L228-W508 HydrophobicContact CD1-CZ2 3.68Å; L228-W508 HydrophobicContact CD1-CZ3 4.48Å; L228-T545 HydrophobicContact CB-CG2 4.3Å; L228-L546 PolarHBondContact N-O 2.75Å; L228-I547 HydrophobicContact CB-CG1 4.28Å; L228-I547 HydrophobicContact CD2-CD1 4.39Å; L228-I547 HydrophobicContact CD2-CG1 4.26Å; L228-I547 HydrophobicContact CD2-CG2 4.39Å; L228-I547 HydrophobicContact CG-CG2 4.35Å; L228-I547 CarbonylContact O-C 3.55Å; L228-I547 WeakPolarHBondContact O-CA 3.27Å; L228-F548 PolarHBondContact O-N 2.85Å
229L98.9Very high96.1Very high0 Ų022.8 Ų22.80%013%0.126CC..EExtended strand (participates in β ladder)trans-94.5122175.5-58.4176.9000110L179 I192 F193 G194 K195 A199 V202 A203 L227 F548 L550L179-L229 HydrophobicContact CD1-CD2 3.99Å; I192-L229 HydrophobicContact CG2-CD1 4.32Å; F193-L229 PolarHBondContact O-N 3.27Å; G194-L229 CarbonylContact C-O 3.55Å; G194-L229 WeakPolarHBondContact CA-O 3.29Å; K195-L229 PolarHBondContact N-O 3.37Å; A199-L229 HydrophobicContact CB-CB 3.56Å; A199-L229 VanDerWaalsContact O-CD1 3.26Å; A199-L229 WeakPolarHBondContact O-CD1 3.38Å; V202-L229 HydrophobicContact CB-CD1 4.19Å; V202-L229 HydrophobicContact CG1-CD1 4.02Å; V202-L229 HydrophobicContact CG1-CD2 4.28Å; A203-L229 HydrophobicContact CB-CD1 3.86Å; L227-L229 HydrophobicContact CD1-CD2 3.78Å; L227-L229 HydrophobicContact CD1-CG 4.42Å; L227-L229 HydrophobicContact CD2-CD1 4.49Å; L227-L229 HydrophobicContact CD2-CD2 4Å; L227-L229 HydrophobicContact CD2-CG 4.23Å; L227-L229 HydrophobicContact CG-CD2 3.93Å; L227-L229 HydrophobicContact CG-CG 4.08Å; L229-F548 HydrophobicContact CD2-CB 3.61Å; L229-F548 HydrophobicContact CD2-CG 4.37Å; L229-L550 HydrophobicContact CB-CD1 4.5Å
230L98.8Very high96.9Very high3 Ų318 Ų182%0.0169%0.092CC..EExtended strand (participates in β ladder)trans-124.1118.9-179.3-67.3178.1000110.9K195 L228 W508 I547 F548 F549 L550K195-L230 HydrophobicContact CB-CD2 3.88Å; L228-L230 HydrophobicContact CD1-CD2 3.77Å; L228-L230 HydrophobicContact CD1-CG 4.07Å; L228-L230 HydrophobicContact CD2-CD1 4.03Å; L228-L230 HydrophobicContact CD2-CD2 4.37Å; L228-L230 HydrophobicContact CD2-CG 4.19Å; L228-L230 HydrophobicContact CG-CD1 4.25Å; L228-L230 HydrophobicContact CG-CD2 4.13Å; L228-L230 HydrophobicContact CG-CG 3.89Å; L230-W508 HydrophobicContact CD2-CH2 4.43Å; L230-W508 HydrophobicContact CD2-CZ2 4.45Å; L230-I547 HydrophobicContact CD1-CG2 4.01Å; L230-I547 HydrophobicContact CG-CG2 4.47Å; L230-F548 PolarHBondContact N-O 2.9Å; L230-F549 HydrophobicContact CD1-CE1 4.25Å; L230-F549 HydrophobicContact CD1-CZ 4.4Å; L230-L550 PolarHBondContact O-N 3Å
231D98.7Very high97.3Very high6 Ų614.7 Ų14.73%0.0328%0.075CC..EExtended strand (participates in β ladder)trans-67.9134.7168.3-83.136.2000110.5Y164 K195 G196 E197 C198 A199 N233 V234Y164-D231 VanDerWaalsContact OH-CB 3.25Å; Y164-D231 WeakPolarHBondContact OH-CB 3.38Å; Y164-D231 PolarHBondContact OH-OD2 3.3Å; K195-D231 PolarHBondContact O-N 2.98Å; G196-D231 VanDerWaalsContact CA-CG 3.4Å; G196-D231 WeakPolarHBondContact CA-OD2 3.26Å; E197-D231 PolarHBondContact N-OD2 3.3Å; C198-D231 WeakPolarHBondContact CA-OD1 3.48Å; C198-D231 VanDerWaalsContact CB-OD1 3.27Å; C198-D231 WeakPolarHBondContact CB-OD1 3.34Å; C198-D231 WeakPolarHBondContact CB-OD2 3.44Å; C198-D231 PolarHBondContact N-OD1 3.17Å; C198-D231 PolarHBondContact N-OD2 3.48Å; A199-D231 WeakPolarHBondContact CB-OD1 3.44Å; A199-D231 PolarHBondContact N-OD1 2.9Å; D231-N233 PolarHBondContact O-N 3.4Å; D231-V234 HydrophobicContact CB-CG2 3.83Å; D231-V234 VanDerWaalsContact O-CB 3.25Å; D231-V234 WeakPolarHBondContact O-CB 3.49Å; D231-V234 WeakPolarHBondContact O-CG2 3.33Å; D231-V234 PolarHBondContact O-N 2.89Å
232R98Very high97.6Very high1 Ų19 Ų90%0.0045%0.051CC..G310 helixtrans-58.6-34.8173.2179.770.8-68.2159.2-0111.8F160 V234 D235 L550 G552 E557 W587F160-R232 HydrophobicContact CD2-CB 3.85Å; F160-R232 HydrophobicContact CD2-CG 3.76Å; F160-R232 HydrophobicContact CE2-CB 3.98Å; F160-R232 HydrophobicContact CE2-CG 3.77Å; R232-V234 PolarHBondContact O-N 3.21Å; R232-V234 VanDerWaalsContact O-N 3.08Å; R232-D235 PolarHBondContact NE-O 3.05Å; R232-D235 PolarHBondContact NH2-O 2.85Å; R232-D235 VanDerWaalsContact NH2-O 3.15Å; R232-D235 IonicContact NH2-OD2 3.77Å; R232-D235 PolarHBondContact NH2-OD2 3.04Å; R232-D235 CarbonylContact O-C 3.6Å; R232-D235 PolarHBondContact O-N 3.21Å; R232-L550 WeakPolarHBondContact CB-O 3.34Å; R232-L550 PolarHBondContact N-O 3.16Å; R232-G552 WeakPolarHBondContact CD-O 3.45Å; R232-G552 PolarHBondContact NH1-O 3.22Å; R232-G552 VanDerWaalsContact NH1-O 3.11Å; R232-E557 IonicContact CZ-OE1 3.15Å; R232-E557 VanDerWaalsContact CZ-OE1 3.27Å; R232-E557 VanDerWaalsContact NH1-CD 3.25Å; R232-E557 IonicContact NH1-OE1 3.98Å; R232-E557 PolarHBondContact NH1-OE1 3.4Å; R232-E557 IonicContact NH1-OE2 3.76Å; R232-E557 PolarHBondContact NH1-OE2 3.17Å; R232-E557 IonicContact NH2-OE1 3Å; R232-E557 PolarHBondContact NH2-OE1 3.14Å; R232-W587 HydrophobicContact CG-CZ2 4.31Å
233N96.9Very high97.9Very high46 Ų468.4 Ų8.425%0.2465%0.047CC..G310 helixtrans-62.2-15178.3-168.941.4000114Y164 D231 D235 P519Y164-N233 HydrophobicContact CD1-CB 4.2Å; Y164-N233 HydrophobicContact CE1-CB 3.51Å; Y164-N233 HydrophobicContact CE2-CB 4.13Å; Y164-N233 VanDerWaalsContact CZ-CB 3.47Å; D231-N233 PolarHBondContact O-N 3.4Å; N233-D235 VanDerWaalsContact C-N 3.26Å; N233-P519 WeakPolarHBondContact O-CG 3.43Å
234V98.3Very high98.1Very high10 Ų106.7 Ų6.76%0.0614%0.036CC..G310 helixtrans-69.2-29.3172.4176.30000111.6K195 D231 R232 L495 L499 L518K195-V234 HydrophobicContact CD-CG2 4.48Å; K195-V234 HydrophobicContact CG-CB 4.37Å; K195-V234 HydrophobicContact CG-CG1 3.77Å; K195-V234 HydrophobicContact CG-CG2 3.67Å; D231-V234 HydrophobicContact CB-CG2 3.83Å; D231-V234 VanDerWaalsContact O-CB 3.25Å; D231-V234 WeakPolarHBondContact O-CB 3.49Å; D231-V234 WeakPolarHBondContact O-CG2 3.33Å; D231-V234 PolarHBondContact O-N 2.89Å; R232-V234 PolarHBondContact O-N 3.21Å; R232-V234 VanDerWaalsContact O-N 3.08Å; V234-L495 HydrophobicContact CG1-CD2 4.18Å; V234-L499 HydrophobicContact CG1-CD1 3.73Å; V234-L518 HydrophobicContact CG1-CB 4.42Å; V234-L518 HydrophobicContact CG1-CD1 4.26Å
235D98.5Very high98.2Very high3 Ų36.7 Ų6.72%0.0164%0.036CC..  trans-142.283.7-179.4175.813.7000109.1R232 N233 L237 T238 L495 S496R232-D235 PolarHBondContact NE-O 3.05Å; R232-D235 PolarHBondContact NH2-O 2.85Å; R232-D235 VanDerWaalsContact NH2-O 3.15Å; R232-D235 IonicContact NH2-OD2 3.77Å; R232-D235 PolarHBondContact NH2-OD2 3.04Å; R232-D235 CarbonylContact O-C 3.6Å; R232-D235 PolarHBondContact O-N 3.21Å; N233-D235 VanDerWaalsContact C-N 3.26Å; D235-L237 PolarHBondContact OD1-N 3.34Å; D235-T238 PolarHBondContact OD1-N 3.3Å; D235-T238 PolarHBondContact OD1-OG1 3.32Å; D235-T238 VanDerWaalsContact OD1-OG1 3.13Å; D235-T238 WeakPolarHBondContact OD2-CB 3.45Å; D235-T238 PolarHBondContact OD2-OG1 3.05Å; D235-L495 HydrophobicContact CB-CB 4.02Å; D235-L495 HydrophobicContact CB-CD2 4.12Å; D235-L495 HydrophobicContact CB-CG 4.47Å; D235-L495 WeakPolarHBondContact OD2-CB 3.44Å; D235-L495 PolarHBondContact OD2-N 2.99Å; D235-S496 PolarHBondContact OD2-N 2.88Å
236L98Very high98.4Very high17 Ų175.5 Ų5.59%0.0893%0.029CC..SBendtrans-77.5-11.4172.4-63.6176.3000112.4F160 L240 V415 L452 W587F160-L236 HydrophobicContact CE2-CD2 4.08Å; F160-L236 HydrophobicContact CZ-CD2 3.92Å; L236-L240 WeakPolarHBondContact O-CD1 3.25Å; L236-L240 WeakPolarHBondContact O-CG 3.37Å; L236-V415 HydrophobicContact CB-CG1 4.28Å; L236-V415 HydrophobicContact CB-CG2 4.11Å; L236-L452 HydrophobicContact CB-CD2 4Å; L236-L452 HydrophobicContact CD1-CD2 4.2Å; L236-L452 HydrophobicContact CD2-CD2 4.24Å; L236-L452 HydrophobicContact CG-CD2 4.39Å; L236-W587 HydrophobicContact CB-CH2 4.1Å; L236-W587 HydrophobicContact CD2-CH2 3.54Å; L236-W587 HydrophobicContact CD2-CZ2 3.67Å; L236-W587 HydrophobicContact CG-CH2 4.43Å
237L97.7Very high98.5Very high5 Ų55.5 Ų5.53%0.0263%0.029CC..SBendtrans-80-51-171.1-174.269.1000111D235 L240 M381 L412 V415 C416 Y463 Y492D235-L237 PolarHBondContact OD1-N 3.34Å; L237-L240 PolarHBondContact O-N 2.8Å; L237-L240 VanDerWaalsContact O-N 3.09Å; L237-M381 HydrophobicContact CD1-CG 4.35Å; L237-M381 HydrophobicContact CD2-CG 4.34Å; L237-M381 HydrophobicContact CG-CG 4.46Å; L237-L412 HydrophobicContact CD1-CD1 3.37Å; L237-L412 HydrophobicContact CD1-CG 4.27Å; L237-L412 HydrophobicContact CG-CD1 4.28Å; L237-V415 HydrophobicContact CB-CG1 4.07Å; L237-V415 HydrophobicContact CD1-CB 4.46Å; L237-V415 HydrophobicContact CD1-CG1 4.06Å; L237-C416 WeakPolarHBondContact CD1-SG 3.39Å; L237-Y463 HydrophobicContact CD2-CE2 3.58Å; L237-Y463 VanDerWaalsContact CD2-OH 3.29Å; L237-Y463 WeakPolarHBondContact CD2-OH 3.18Å; L237-Y492 HydrophobicContact CD2-CD2 4.37Å; L237-Y492 HydrophobicContact CD2-CE2 3.53Å
238T98.6Very high98.5Very high0 Ų05.5 Ų5.50%03%0.029CC..THydrogen-bonded Turntrans-51.8-46.2-174.2-62.60000114.2D235 L240 A241 Y489 Y492 P494 E557D235-T238 PolarHBondContact OD1-N 3.3Å; D235-T238 PolarHBondContact OD1-OG1 3.32Å; D235-T238 VanDerWaalsContact OD1-OG1 3.13Å; D235-T238 WeakPolarHBondContact OD2-CB 3.45Å; D235-T238 PolarHBondContact OD2-OG1 3.05Å; T238-L240 VanDerWaalsContact C-N 3.29Å; T238-L240 PolarHBondContact O-N 2.91Å; T238-A241 PolarHBondContact O-N 2.83Å; T238-Y489 HydrophobicContact CG2-CE2 3.92Å; T238-Y489 VanDerWaalsContact CG2-OH 3.32Å; T238-Y489 WeakPolarHBondContact CG2-OH 3.49Å; T238-Y489 PolarHBondContact O-OH 3.38Å; T238-Y489 VanDerWaalsContact O-OH 3.08Å; T238-Y492 WeakPolarHBondContact OG1-CE1 3.42Å; T238-Y492 PolarHBondContact OG1-OH 3.3Å; T238-P494 HydrophobicContact CG2-CB 3.86Å; T238-P494 HydrophobicContact CG2-CG 4.17Å; T238-E557 HydrophobicContact CG2-CG 3.54Å
239P98.4Very high98.5Very high0 Ų05.7 Ų5.70%03%0.03CC..THydrogen-bonded Turntrans-72.1-19.8-177.3-12.326.9000114.3T554 M582 G584 W587P239-T554 HydrophobicContact CB-CG2 3.97Å; P239-T554 HydrophobicContact CG-CG2 4.45Å; P239-M582 HydrophobicContact CB-SD 4.12Å; P239-M582 HydrophobicContact CG-SD 4.41Å; P239-G584 WeakPolarHBondContact O-CA 3.17Å; P239-G584 PolarHBondContact O-N 3.04Å; P239-W587 HydrophobicContact CB-CD2 4.49Å; P239-W587 HydrophobicContact CB-CE3 3.65Å; P239-W587 HydrophobicContact CB-CZ3 3.75Å; P239-W587 HydrophobicContact CG-CE3 4.19Å; P239-W587 HydrophobicContact CG-CH2 4.39Å; P239-W587 HydrophobicContact CG-CZ3 3.87Å
240L98.5Very high98.5Very high1 Ų15.7 Ų5.71%0.0053%0.03CC..THydrogen-bonded Turntrans-74.7-34.4178.7-66.2169.4000111.6L236 L237 T238 R408 C411 L412 V415 L452 W587 I588L236-L240 WeakPolarHBondContact O-CD1 3.25Å; L236-L240 WeakPolarHBondContact O-CG 3.37Å; L237-L240 PolarHBondContact O-N 2.8Å; L237-L240 VanDerWaalsContact O-N 3.09Å; T238-L240 VanDerWaalsContact C-N 3.29Å; T238-L240 PolarHBondContact O-N 2.91Å; L240-R408 PolarHBondContact O-NE 2.95Å; L240-R408 PolarHBondContact O-NH2 3.16Å; L240-C411 HydrophobicContact CD1-CB 3.91Å; L240-C411 HydrophobicContact CD2-CB 3.99Å; L240-L412 HydrophobicContact CB-CB 4.3Å; L240-L412 HydrophobicContact CB-CD1 3.65Å; L240-L412 HydrophobicContact CD1-CB 4.28Å; L240-L412 HydrophobicContact CD1-CD1 4.28Å; L240-V415 HydrophobicContact CD1-CG2 4.19Å; L240-L452 HydrophobicContact CD1-CD2 4.05Å; L240-W587 HydrophobicContact CD2-CE3 4.2Å; L240-W587 HydrophobicContact CD2-CZ3 4.01Å; L240-W587 HydrophobicContact CG-CE3 4.5Å; L240-W587 HydrophobicContact CG-CZ3 3.93Å; L240-I588 HydrophobicContact CD2-CD1 4.12Å; L240-I588 HydrophobicContact CD2-CG1 4.47Å
241A98.3Very high98.5Very high0 Ų05.9 Ų5.90%03%0.031CC..SBendtrans-69.3146.8-17900000112.1T238 Q243 M381 Y489T238-A241 PolarHBondContact O-N 2.83Å; A241-Q243 PolarHBondContact O-N 3.22Å; A241-M381 HydrophobicContact CB-CE 4.04Å; A241-M381 HydrophobicContact CB-SD 3.67Å; A241-Y489 HydrophobicContact CB-CD1 3.79Å; A241-Y489 HydrophobicContact CB-CE1 3.64Å
242T98.7Very high98.4Very high2 Ų26.9 Ų6.91%0.0124%0.036CC..PPolyproline II helixtrans-67.9121.4175.5-56.80000110.8L244 L249 E252 F370 K373 E377 Y489T242-L244 HydrophobicContact CG2-CD2 4.14Å; T242-L249 HydrophobicContact CG2-CD2 4.47Å; T242-E252 HydrophobicContact CG2-CG 4.34Å; T242-F370 HydrophobicContact CG2-CE2 3.86Å; T242-F370 HydrophobicContact CG2-CZ 4.06Å; T242-K373 VanDerWaalsContact OG1-CE 3.23Å; T242-K373 WeakPolarHBondContact OG1-CE 3.38Å; T242-K373 PolarHBondContact OG1-NZ 3.48Å; T242-E377 VanDerWaalsContact CB-OE2 3.25Å; T242-E377 WeakPolarHBondContact CB-OE2 3.35Å; T242-E377 PolarHBondContact N-OE2 3.13Å; T242-E377 VanDerWaalsContact OG1-CD 3.25Å; T242-E377 PolarHBondContact OG1-OE1 3.41Å; T242-E377 VanDerWaalsContact OG1-OE1 3.04Å; T242-E377 PolarHBondContact OG1-OE2 3.15Å; T242-Y489 WeakPolarHBondContact O-CD1 3.16Å; T242-Y489 WeakPolarHBondContact O-CE1 3.42Å
243Q98.7Very high98.4Very high0 Ų09.2 Ų9.20%05%0.048CC..PPolyproline II helixtrans-67.4132174.8-59.317381.100110.7A241 L249 E252 Y489 A556A241-Q243 PolarHBondContact O-N 3.22Å; Q243-L249 WeakPolarHBondContact O-CD2 3.27Å; Q243-L249 WeakPolarHBondContact O-CG 3.28Å; Q243-E252 HydrophobicContact CB-CG 4.05Å; Q243-E252 HydrophobicContact CG-CG 4.4Å; Q243-E252 WeakPolarHBondContact CG-OE1 3.28Å; Q243-E252 PolarHBondContact NE2-OE1 2.92Å; Q243-Y489 HydrophobicContact CG-CE1 4.25Å; Q243-A556 HydrophobicContact CB-CB 3.98Å; Q243-A556 HydrophobicContact CG-CB 3.73Å
244L98.8Very high98.5Very high13 Ų1310.1 Ų10.17%0.0685%0.048CC..  trans-111.65.8-176.4-57.3-178000114.1T242 L249 N303 F304 F370 L374 V488 S490T242-L244 HydrophobicContact CG2-CD2 4.14Å; L244-L249 HydrophobicContact CD2-CD2 4.4Å; L244-N303 WeakPolarHBondContact O-CA 3.35Å; L244-F304 PolarHBondContact O-N 2.92Å; L244-F370 HydrophobicContact CD2-CZ 3.97Å; L244-L374 HydrophobicContact CD1-CD1 4.21Å; L244-L374 HydrophobicContact CD1-CD2 4.2Å; L244-L374 HydrophobicContact CD2-CD1 4.21Å; L244-L374 HydrophobicContact CD2-CD2 4.15Å; L244-V488 WeakPolarHBondContact CB-O 3.28Å; L244-V488 PolarHBondContact N-O 3.36Å; L244-S490 WeakPolarHBondContact CD1-OG 3.43Å
245T98.8Very high98.5Very high0 Ų010.9 Ų10.90%06%0.058CC..BIsolated β-bridgetrans-76161.1168.162.40000111.2G248 L249 K302 Y487 V488 A559T245-G248 PolarHBondContact O-N 2.86Å; T245-G248 PolarHBondContact OG1-N 3.41Å; T245-L249 WeakPolarHBondContact O-CB 3.46Å; T245-L249 WeakPolarHBondContact O-CG 3.5Å; T245-L249 PolarHBondContact O-N 3.05Å; T245-K302 CarbonylContact C-O 3.47Å; T245-K302 VanDerWaalsContact CA-O 3.22Å; T245-K302 WeakPolarHBondContact CA-O 3.43Å; T245-Y487 HydrophobicContact CG2-CE2 4.48Å; T245-V488 HydrophobicContact CG2-CB 3.79Å; T245-V488 HydrophobicContact CG2-CG1 3.69Å; T245-A559 HydrophobicContact CG2-CB 3.87Å
246Y98.9Very high98.5Very high0 Ų011.6 Ų11.60%06%0.062CC..Hα-helixtrans-57.8-51.8178.8-179.1-103.2000112.6G248 L249 I250 Y296 I299 K302 F304 V307 H354 I357 A358 I361Y246-G248 VanDerWaalsContact C-N 3.35Å; Y246-L249 PolarHBondContact O-N 2.82Å; Y246-I250 HydrophobicContact CD1-CD1 3.94Å; Y246-I250 HydrophobicContact CE1-CD1 3.46Å; Y246-I250 VanDerWaalsContact CE1-CD1 3.46Å; Y246-I250 HydrophobicContact CE2-CD1 4.47Å; Y246-I250 WeakPolarHBondContact O-CG1 3.43Å; Y246-I250 PolarHBondContact O-N 3.27Å; Y246-I250 VanDerWaalsContact O-N 3.16Å; Y246-Y296 HydrophobicContact CD1-CD2 4.49Å; Y246-Y296 HydrophobicContact CD1-CE2 4.21Å; Y246-Y296 HydrophobicContact CE1-CD2 4.06Å; Y246-Y296 AromaticContact CE1-CE2 3.98Å; Y246-Y296 HydrophobicContact CE1-CE2 3.98Å; Y246-I299 WeakPolarHBondContact CB-O 3.37Å; Y246-I299 HydrophobicContact CD1-CD1 3.99Å; Y246-I299 HydrophobicContact CD1-CG1 3.78Å; Y246-I299 HydrophobicContact CE1-CD1 3.67Å; Y246-I299 HydrophobicContact CE1-CG1 3.91Å; Y246-I299 HydrophobicContact CE2-CD1 4.31Å; Y246-I299 HydrophobicContact CG-CD1 4.45Å; Y246-I299 HydrophobicContact CG-CG1 4.31Å; Y246-K302 PolarHBondContact N-O 2.91Å; Y246-F304 HydrophobicContact CD2-CD2 4.05Å; Y246-F304 HydrophobicContact CD2-CE2 4.17Å; Y246-V307 HydrophobicContact CD2-CB 4.5Å; Y246-V307 HydrophobicContact CD2-CG1 3.96Å; Y246-V307 HydrophobicContact CD2-CG2 3.93Å; Y246-V307 HydrophobicContact CE2-CG1 4.24Å; Y246-V307 HydrophobicContact CG-CG2 4.15Å; Y246-H354 AromaticContact CE1-ND1 3.72Å; Y246-H354 AromaticContact CZ-ND1 3.65Å; Y246-H354 PolarHBondContact OH-ND1 2.88Å; Y246-I357 HydrophobicContact CE2-CG2 4.11Å; Y246-I357 WeakPolarHBondContact OH-CB 3.49Å; Y246-I357 WeakPolarHBondContact OH-CG2 3.15Å; Y246-A358 HydrophobicContact CE2-CB 4.5Å; Y246-I361 HydrophobicContact CD2-CD1 3.94Å; Y246-I361 HydrophobicContact CE2-CD1 3.8Å
247E98.8Very high98.4Very high9 Ų917.1 Ų17.14%0.0429%0.087CC..Hα-helixtrans-65.5-39.2177178169.8-120.600111.5L249 I250 D251 I256 Y296 R300 F555 R562E247-L249 PolarHBondContact O-N 2.87Å; E247-I250 PolarHBondContact O-N 2.64Å; E247-D251 PolarHBondContact O-N 2.81Å; E247-I256 HydrophobicContact CG-CD1 3.92Å; E247-Y296 WeakPolarHBondContact CG-OH 3.16Å; E247-Y296 PolarHBondContact OE1-OH 2.72Å; E247-R300 HydrophobicContact CB-CB 3.94Å; E247-R300 WeakPolarHBondContact CB-O 3.48Å; E247-R300 PolarHBondContact N-O 3.1Å; E247-F555 HydrophobicContact CG-CB 3.98Å; E247-F555 HydrophobicContact CG-CD1 3.54Å; E247-F555 HydrophobicContact CG-CD2 4.38Å; E247-F555 HydrophobicContact CG-CE1 4.04Å; E247-F555 HydrophobicContact CG-CG 3.72Å; E247-F555 VanDerWaalsContact OE2-CD1 3.28Å; E247-F555 WeakPolarHBondContact OE2-CD1 3.46Å; E247-R562 IonicContact OE2-NH1 3.51Å
248G98.8Very high98.3Very high0 Ų018.1 Ų18.10%09%0.092CC..Hα-helixtrans-59.3-45175.700000113T245 Y246 D251 E252T245-G248 PolarHBondContact O-N 2.86Å; T245-G248 PolarHBondContact OG1-N 3.41Å; Y246-G248 VanDerWaalsContact C-N 3.35Å; G248-D251 WeakPolarHBondContact O-CB 3.32Å; G248-D251 PolarHBondContact O-N 2.98Å; G248-E252 WeakPolarHBondContact O-CG 3.32Å; G248-E252 PolarHBondContact O-N 2.91Å
249L98.9Very high98.2Very high3 Ų318.6 Ų18.62%0.01610%0.095CC..Hα-helixtrans-70-33.5177.9-74.8169.9000113T242 Q243 L244 T245 Y246 E247 D251 I253 F304 I361 T365 F370T242-L249 HydrophobicContact CG2-CD2 4.47Å; Q243-L249 WeakPolarHBondContact O-CD2 3.27Å; Q243-L249 WeakPolarHBondContact O-CG 3.28Å; L244-L249 HydrophobicContact CD2-CD2 4.4Å; T245-L249 WeakPolarHBondContact O-CB 3.46Å; T245-L249 WeakPolarHBondContact O-CG 3.5Å; T245-L249 PolarHBondContact O-N 3.05Å; Y246-L249 PolarHBondContact O-N 2.82Å; E247-L249 PolarHBondContact O-N 2.87Å; L249-D251 VanDerWaalsContact C-N 3.26Å; L249-D251 PolarHBondContact O-N 2.85Å; L249-I253 WeakPolarHBondContact O-CB 3.36Å; L249-I253 WeakPolarHBondContact O-CD1 3.23Å; L249-I253 WeakPolarHBondContact O-CG1 3.46Å; L249-I253 PolarHBondContact O-N 3.45Å; L249-I253 VanDerWaalsContact O-N 3.1Å; L249-F304 HydrophobicContact CD1-CB 3.44Å; L249-F304 VanDerWaalsContact CD1-CB 3.44Å; L249-F304 HydrophobicContact CD1-CD1 4.15Å; L249-F304 HydrophobicContact CD1-CD2 4.14Å; L249-F304 HydrophobicContact CD1-CG 3.64Å; L249-I361 HydrophobicContact CB-CD1 4.31Å; L249-I361 HydrophobicContact CB-CG2 3.91Å; L249-I361 HydrophobicContact CD1-CG2 3.67Å; L249-I361 HydrophobicContact CG-CG2 4.34Å; L249-T365 HydrophobicContact CD1-CG2 4.04Å; L249-T365 HydrophobicContact CD2-CG2 4.09Å; L249-F370 HydrophobicContact CD2-CE2 4.18Å; L249-F370 HydrophobicContact CD2-CZ 4.09Å
250I98.8Very high98.1Very high0 Ų022.1 Ų22.10%011%0.109CC..Hα-helixtrans-58.7-45.8170.5-66.5169.6000109.4Y246 E247 Y254 G255 I256 V261 L289 Y296 I357 I361Y246-I250 HydrophobicContact CD1-CD1 3.94Å; Y246-I250 HydrophobicContact CE1-CD1 3.46Å; Y246-I250 VanDerWaalsContact CE1-CD1 3.46Å; Y246-I250 HydrophobicContact CE2-CD1 4.47Å; Y246-I250 WeakPolarHBondContact O-CG1 3.43Å; Y246-I250 PolarHBondContact O-N 3.27Å; Y246-I250 VanDerWaalsContact O-N 3.16Å; E247-I250 PolarHBondContact O-N 2.64Å; I250-Y254 PolarHBondContact O-N 3.22Å; I250-G255 PolarHBondContact O-N 3.24Å; I250-I256 HydrophobicContact CB-CD1 4.26Å; I250-I256 HydrophobicContact CG2-CD1 3.99Å; I250-I256 HydrophobicContact CG2-CG1 3.95Å; I250-V261 HydrophobicContact CG2-CB 4.09Å; I250-V261 HydrophobicContact CG2-CG1 4.46Å; I250-V261 HydrophobicContact CG2-CG2 3.63Å; I250-L289 HydrophobicContact CD1-CD1 4.23Å; I250-L289 HydrophobicContact CG2-CD1 4.04Å; I250-Y296 HydrophobicContact CD1-CE2 4.49Å; I250-I357 HydrophobicContact CD1-CG2 3.84Å; I250-I357 HydrophobicContact CG1-CG2 3.79Å; I250-I361 HydrophobicContact CG1-CD1 3.79Å
251D98.7Very high98.1Very high8 Ų822.1 Ų22.14%0.04311%0.109CC..Hα-helixtrans-68.2-41.6-179.3-171.851.6000113.1E247 G248 L249 I253 G255 I256 F555 N583E247-D251 PolarHBondContact O-N 2.81Å; G248-D251 WeakPolarHBondContact O-CB 3.32Å; G248-D251 PolarHBondContact O-N 2.98Å; L249-D251 VanDerWaalsContact C-N 3.26Å; L249-D251 PolarHBondContact O-N 2.85Å; D251-I253 VanDerWaalsContact C-N 3.32Å; D251-I253 PolarHBondContact O-N 2.99Å; D251-G255 WeakPolarHBondContact O-CA 3.43Å; D251-G255 PolarHBondContact O-N 2.91Å; D251-I256 HydrophobicContact CB-CB 4.48Å; D251-I256 HydrophobicContact CB-CD1 3.97Å; D251-I256 HydrophobicContact CB-CG1 3.99Å; D251-I256 PolarHBondContact OD1-N 3.12Å; D251-F555 HydrophobicContact CB-CD2 3.73Å; D251-F555 HydrophobicContact CB-CE2 3.99Å; D251-N583 PolarHBondContact O-ND2 3.39Å; D251-N583 PolarHBondContact OD1-ND2 3.34Å; D251-N583 VanDerWaalsContact OD2-CB 3.31Å; D251-N583 WeakPolarHBondContact OD2-CB 3.47Å; D251-N583 PolarHBondContact OD2-ND2 3.3Å
252E98.1Very high98.1Very high27 Ų2728.6 Ų28.613%0.12614%0.138CC..Hα-helixtrans-62.8-36.8176.4-70.7-67.8157.200112.8T242 Q243 G248 R408T242-E252 HydrophobicContact CG2-CG 4.34Å; Q243-E252 HydrophobicContact CB-CG 4.05Å; Q243-E252 HydrophobicContact CG-CG 4.4Å; Q243-E252 WeakPolarHBondContact CG-OE1 3.28Å; Q243-E252 PolarHBondContact NE2-OE1 2.92Å; G248-E252 WeakPolarHBondContact O-CG 3.32Å; G248-E252 PolarHBondContact O-N 2.91Å; E252-R408 IonicContact OE1-NH2 2.72Å; E252-R408 IonicContact OE2-CZ 3.51Å; E252-R408 IonicContact OE2-NH1 2.8Å; E252-R408 PolarHBondContact OE2-NH1 3.37Å; E252-R408 IonicContact OE2-NH2 3.87Å; E252-R408 PolarHBondContact OE2-NH2 3.5Å
253I98.2Very high98Very high50 Ų5028.7 Ų28.726%0.25614%0.138SC..Hα-helixtrans-92-42-172.2-59.3167.2000111.9L249 D251 I361 V364L249-I253 WeakPolarHBondContact O-CB 3.36Å; L249-I253 WeakPolarHBondContact O-CD1 3.23Å; L249-I253 WeakPolarHBondContact O-CG1 3.46Å; L249-I253 PolarHBondContact O-N 3.45Å; L249-I253 VanDerWaalsContact O-N 3.1Å; D251-I253 VanDerWaalsContact C-N 3.32Å; D251-I253 PolarHBondContact O-N 2.99Å; I253-I361 HydrophobicContact CD1-CB 4.4Å; I253-I361 HydrophobicContact CD1-CG1 4.28Å; I253-I361 HydrophobicContact CD1-CG2 4.18Å; I253-V364 HydrophobicContact CD1-CB 3.89Å; I253-V364 HydrophobicContact CD1-CG1 4.07Å; I253-V364 HydrophobicContact CD1-CG2 4.08Å; I253-V364 HydrophobicContact CG1-CG1 4.25Å; I253-V364 HydrophobicContact CG2-CG2 4.01Å
254Y98Very high97.8Very high65 Ų6530.7 Ų30.726%0.25515%0.151SC..Hα-helixtrans-120.2-13.9-170.8-58.8-71.5000113.8I250 L263 P264 L360I250-Y254 PolarHBondContact O-N 3.22Å; Y254-L263 HydrophobicContact CD1-CD2 4.15Å; Y254-L263 HydrophobicContact CD2-CD2 3.54Å; Y254-L263 HydrophobicContact CE1-CD2 4.45Å; Y254-L263 HydrophobicContact CE2-CD2 3.89Å; Y254-L263 HydrophobicContact CG-CD2 3.7Å; Y254-P264 HydrophobicContact CE1-CG 3.98Å; Y254-L360 HydrophobicContact CE2-CB 4.25Å; Y254-L360 WeakPolarHBondContact OH-CB 3.4Å
255G97.8Very high97.5Very high25 Ų2530.8 Ų30.826%0.25815%0.152SC..  trans71.4138.7-172.900000113.2I250 D251I250-G255 PolarHBondContact O-N 3.24Å; D251-G255 WeakPolarHBondContact O-CA 3.43Å; D251-G255 PolarHBondContact O-N 2.91Å
256I98.2Very high97Very high19 Ų1936.1 Ų36.110%0.09718%0.177CC..  trans-111.2123.5170.7-60.5176.2000108.9E247 I250 D251 Y260 L289 F555E247-I256 HydrophobicContact CG-CD1 3.92Å; I250-I256 HydrophobicContact CB-CD1 4.26Å; I250-I256 HydrophobicContact CG2-CD1 3.99Å; I250-I256 HydrophobicContact CG2-CG1 3.95Å; D251-I256 HydrophobicContact CB-CB 4.48Å; D251-I256 HydrophobicContact CB-CD1 3.97Å; D251-I256 HydrophobicContact CB-CG1 3.99Å; D251-I256 PolarHBondContact OD1-N 3.12Å; I256-Y260 WeakPolarHBondContact CA-O 3.22Å; I256-L289 HydrophobicContact CD1-CD1 3.88Å; I256-L289 HydrophobicContact CG1-CD1 4.22Å; I256-F555 HydrophobicContact CB-CE2 3.94Å; I256-F555 HydrophobicContact CB-CZ 4.08Å; I256-F555 HydrophobicContact CD1-CD2 4.44Å; I256-F555 HydrophobicContact CD1-CE2 3.97Å; I256-F555 HydrophobicContact CD1-CZ 4.11Å; I256-F555 HydrophobicContact CG1-CE2 4.43Å; I256-F555 HydrophobicContact CG2-CE2 4.34Å; I256-F555 HydrophobicContact CG2-CZ 3.95Å
257Q96.1Very high96.5Very high132 Ų13238.9 Ų38.962%0.61719%0.189SC*.BIsolated β-bridgetrans-123.1120.4177.7-67.4179.7-7.800109.9S259 Y260Q257-S259 VanDerWaalsContact C-N 3.29Å; Q257-S259 PolarHBondContact O-N 3.05Å; Q257-Y260 PolarHBondContact N-O 3.02Å; Q257-Y260 PolarHBondContact O-N 2.66Å
258N96.1Very high96.1Very high27 Ų2740.1 Ų40.114%0.14419%0.194CC..THydrogen-bonded Turntrans50.845.2177.5-49.9108.7000113.2G44 L48 E155 Y260G44-N258 VanDerWaalsContact C-CG 3.49Å; G44-N258 WeakPolarHBondContact CA-OD1 3.46Å; L48-N258 HydrophobicContact CD1-CB 4.05Å; L48-N258 HydrophobicContact CG-CB 4.33Å; E155-N258 PolarHBondContact OE2-ND2 3.42Å; N258-Y260 VanDerWaalsContact C-N 3.26Å; N258-Y260 WeakPolarHBondContact O-CD2 3.42Å; N258-Y260 PolarHBondContact O-N 3.46Å
259S96.2Very high95.2Very high9 Ų941.9 Ų41.96%0.06321%0.209CC..THydrogen-bonded Turntrans64.620.9-175.2-55.20000114.9F147 Q257 Q288 L289F147-S259 WeakPolarHBondContact CD1-OG 3.49Å; Q257-S259 VanDerWaalsContact C-N 3.29Å; Q257-S259 PolarHBondContact O-N 3.05Å; S259-Q288 CarbonylContact O-C 3.58Å; S259-Q288 VanDerWaalsContact O-CA 3.31Å; S259-Q288 WeakPolarHBondContact O-CA 3.31Å; S259-Q288 WeakPolarHBondContact O-CG 3.45Å; S259-L289 WeakPolarHBondContact CB-O 3.42Å; S259-L289 PolarHBondContact O-N 3.48Å
260Y97.3Very high93.8Very high75 Ų7546.8 Ų46.829%0.29424%0.241SC..EExtended strand (participates in β ladder)trans-122.1145173.1-68.9-89.5000111.9I256 Q257 N258 K286 L287 Q288I256-Y260 WeakPolarHBondContact CA-O 3.22Å; Q257-Y260 PolarHBondContact N-O 3.02Å; Q257-Y260 PolarHBondContact O-N 2.66Å; N258-Y260 VanDerWaalsContact C-N 3.26Å; N258-Y260 WeakPolarHBondContact O-CD2 3.42Å; N258-Y260 PolarHBondContact O-N 3.46Å; Y260-K286 HydrophobicContact CD1-CD 4.18Å; Y260-K286 HydrophobicContact CD1-CG 3.92Å; Y260-L287 VanDerWaalsContact CA-O 3.26Å; Y260-L287 WeakPolarHBondContact CA-O 2.98Å; Y260-L287 WeakPolarHBondContact CD1-O 3.3Å; Y260-Q288 HydrophobicContact CD1-CB 3.89Å; Y260-Q288 HydrophobicContact CD1-CG 4.25Å; Y260-Q288 HydrophobicContact CE1-CB 3.52Å; Y260-Q288 HydrophobicContact CE1-CG 3.8Å; Y260-Q288 HydrophobicContact CE2-CG 4.25Å
261V98Very high92Very high1 Ų156.4 Ų56.41%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-118.1145.9167.966.20000109.6I250 L263 K286 L287 L289I250-V261 HydrophobicContact CG2-CB 4.09Å; I250-V261 HydrophobicContact CG2-CG1 4.46Å; I250-V261 HydrophobicContact CG2-CG2 3.63Å; V261-L263 HydrophobicContact CG1-CD1 3.69Å; V261-L263 HydrophobicContact CG1-CG 3.97Å; V261-L263 HydrophobicContact CG2-CD1 4.45Å; V261-L263 HydrophobicContact CG2-CD2 3.81Å; V261-L263 HydrophobicContact CG2-CG 3.86Å; V261-K286 WeakPolarHBondContact O-CA 3.46Å; V261-L287 HydrophobicContact CG1-CB 4.03Å; V261-L287 PolarHBondContact N-O 3.36Å; V261-L287 PolarHBondContact O-N 2.89Å; V261-L289 HydrophobicContact CB-CD1 3.94Å; V261-L289 HydrophobicContact CG1-CD1 3.69Å; V261-L289 HydrophobicContact CG1-CD2 4.4Å; V261-L289 HydrophobicContact CG1-CG 4.04Å
262K97.7Very high90Very high136 Ų13664.1 Ų64.159%0.59132%0.316SS*.EExtended strand (participates in β ladder)trans-110.7121.6169.9-66.2176.2-176.3170.10108.4A284K262-A284 HydrophobicContact CB-CB 4.22Å
263L97.3Very high87.4Confident3 Ų372.3 Ų72.32%0.01636%0.355CS..EExtended strand (participates in β ladder)trans-121.1152.1-171.3-64.1157.9000111.5Y254 V261 F268 A284 K285 L287 I357 L360Y254-L263 HydrophobicContact CD1-CD2 4.15Å; Y254-L263 HydrophobicContact CD2-CD2 3.54Å; Y254-L263 HydrophobicContact CE1-CD2 4.45Å; Y254-L263 HydrophobicContact CE2-CD2 3.89Å; Y254-L263 HydrophobicContact CG-CD2 3.7Å; V261-L263 HydrophobicContact CG1-CD1 3.69Å; V261-L263 HydrophobicContact CG1-CG 3.97Å; V261-L263 HydrophobicContact CG2-CD1 4.45Å; V261-L263 HydrophobicContact CG2-CD2 3.81Å; V261-L263 HydrophobicContact CG2-CG 3.86Å; L263-F268 HydrophobicContact CB-CE2 3.82Å; L263-F268 HydrophobicContact CB-CZ 4.23Å; L263-F268 HydrophobicContact CD1-CE2 4.18Å; L263-F268 HydrophobicContact CD1-CZ 3.71Å; L263-A284 CarbonylContact O-C 3.51Å; L263-A284 WeakPolarHBondContact O-CA 3.19Å; L263-K285 HydrophobicContact CB-CB 4.33Å; L263-K285 PolarHBondContact N-O 3.47Å; L263-K285 PolarHBondContact O-N 3.3Å; L263-L287 HydrophobicContact CD1-CD1 3.89Å; L263-I357 HydrophobicContact CD1-CD1 3.95Å; L263-I357 HydrophobicContact CD1-CG1 3.66Å; L263-L360 HydrophobicContact CB-CD1 4.3Å; L263-L360 HydrophobicContact CD2-CD1 4.1Å
264P95.2Very high85.2Confident43 Ų4373.6 Ų73.628%0.27938%0.38SS..  trans-55.1127.8170.8-23.933.4000111.2Y254 E266 F268 L360Y254-P264 HydrophobicContact CE1-CG 3.98Å; P264-E266 VanDerWaalsContact C-N 3.32Å; P264-E266 VanDerWaalsContact C-OE2 3.29Å; P264-E266 WeakPolarHBondContact CB-OE2 3.32Å; P264-E266 PolarHBondContact O-N 3.14Å; P264-F268 VanDerWaalsContact O-CD2 3.25Å; P264-F268 WeakPolarHBondContact O-CD2 3.42Å; P264-F268 WeakPolarHBondContact O-CE2 3.43Å; P264-L360 HydrophobicContact CG-CD2 4.43Å
265P92.3Very high82.8Confident15 Ų1576.1 Ų76.110%0.09740%0.398CS..G310 helixtrans-74-18.2-170.727.7-34.4000114.8K267 F268 A269 P281 E283P265-K267 VanDerWaalsContact C-N 3.31Å; P265-K267 PolarHBondContact O-N 2.87Å; P265-F268 PolarHBondContact O-N 2.83Å; P265-A269 PolarHBondContact O-N 3.22Å; P265-P281 HydrophobicContact CB-CB 4.15Å; P265-P281 HydrophobicContact CB-CG 4.22Å; P265-P281 WeakPolarHBondContact CG-O 3.39Å; P265-E283 WeakPolarHBondContact CB-O 3.5Å
266E88.6Confident80.4Confident112 Ų11279.5 Ų79.552%0.52343%0.433SS..G310 helixtrans-59.5-40.3-168.4-61.474.3-162.500112P264 F268P264-E266 VanDerWaalsContact C-N 3.32Å; P264-E266 VanDerWaalsContact C-OE2 3.29Å; P264-E266 WeakPolarHBondContact CB-OE2 3.32Å; P264-E266 PolarHBondContact O-N 3.14Å; E266-F268 VanDerWaalsContact C-N 3.28Å; E266-F268 PolarHBondContact O-N 3.21Å
267K87.1Confident78.3Confident58 Ų5882.1 Ų82.125%0.25246%0.464SS..G310 helixtrans-79-6.1178.7-60.9-153.6-172.5-1790114.1P265 S356 E359 L360 D363P265-K267 VanDerWaalsContact C-N 3.31Å; P265-K267 PolarHBondContact O-N 2.87Å; K267-S356 WeakPolarHBondContact O-CB 3.31Å; K267-S356 PolarHBondContact O-OG 2.96Å; K267-E359 HydrophobicContact CD-CB 3.92Å; K267-E359 PolarHBondContact NZ-O 3.35Å; K267-L360 HydrophobicContact CD-CD2 3.78Å; K267-L360 HydrophobicContact CD-CG 3.9Å; K267-L360 HydrophobicContact CG-CD2 4.03Å; K267-L360 HydrophobicContact CG-CG 4.35Å; K267-D363 WeakPolarHBondContact CE-OD2 3.34Å; K267-D363 IonicContact NZ-OD1 2.76Å; K267-D363 PolarHBondContact NZ-OD1 2.86Å; K267-D363 IonicContact NZ-OD2 3.48Å; K267-D363 PolarHBondContact NZ-OD2 2.94Å
268F89.8Confident76.2Confident34 Ų3483.5 Ų83.515%0.14947%0.468CS..G310 helixtrans-107.1-10.1-179.9-60.7-89.6000113.4L263 P264 P265 E266 K285 L287 N353 I357 L360L263-F268 HydrophobicContact CB-CE2 3.82Å; L263-F268 HydrophobicContact CB-CZ 4.23Å; L263-F268 HydrophobicContact CD1-CE2 4.18Å; L263-F268 HydrophobicContact CD1-CZ 3.71Å; P264-F268 VanDerWaalsContact O-CD2 3.25Å; P264-F268 WeakPolarHBondContact O-CD2 3.42Å; P264-F268 WeakPolarHBondContact O-CE2 3.43Å; P265-F268 PolarHBondContact O-N 2.83Å; E266-F268 VanDerWaalsContact C-N 3.28Å; E266-F268 PolarHBondContact O-N 3.21Å; F268-K285 HydrophobicContact CB-CB 4.5Å; F268-K285 HydrophobicContact CB-CD 4.16Å; F268-K285 HydrophobicContact CB-CG 4.18Å; F268-K285 HydrophobicContact CD1-CD 4.35Å; F268-K285 HydrophobicContact CD1-CG 3.89Å; F268-K285 HydrophobicContact CD2-CB 3.86Å; F268-K285 HydrophobicContact CD2-CG 3.89Å; F268-K285 HydrophobicContact CE1-CG 4.26Å; F268-K285 HydrophobicContact CE2-CB 4.29Å; F268-K285 HydrophobicContact CE2-CG 4.28Å; F268-K285 HydrophobicContact CG-CB 4.12Å; F268-K285 HydrophobicContact CG-CD 4.18Å; F268-K285 HydrophobicContact CG-CG 3.7Å; F268-K285 HydrophobicContact CZ-CG 4.47Å; F268-L287 HydrophobicContact CE1-CD1 4.05Å; F268-N353 HydrophobicContact CE1-CB 4.29Å; F268-I357 HydrophobicContact CE1-CG1 4.19Å; F268-I357 HydrophobicContact CZ-CG1 3.79Å; F268-L360 HydrophobicContact CE2-CD1 3.85Å; F268-L360 HydrophobicContact CZ-CD1 4.26Å
269A80.4Confident74.7Confident38 Ų3889.8 Ų89.831%0.31450%0.502SS..SBendtrans-66137.6176.800000110.5P265 K271 P281P265-A269 PolarHBondContact O-N 3.22Å; A269-K271 PolarHBondContact O-N 3.34Å; A269-K271 VanDerWaalsContact O-N 3.15Å; A269-P281 HydrophobicContact CB-CG 4.03Å
270P69.8Low73.2Confident106 Ų10695.7 Ų95.769%0.68853%0.532SS*.  trans-60.8122.5172.124.2-30.9000108.8K272P270-K272 PolarHBondContact O-N 3.22Å
271K62.2Low72Confident202 Ų20294.9 Ų94.988%0.87854%0.536SS*.  trans-64.380.1172.2-65.7-177.8-178.5177.30109.2A269 Q273A269-K271 PolarHBondContact O-N 3.34Å; A269-K271 VanDerWaalsContact O-N 3.15Å; K271-Q273 PolarHBondContact O-N 2.95Å; K271-Q273 VanDerWaalsContact O-N 3.15Å
272K54.8Low71.2Confident169 Ų169101.2 Ų101.274%0.73558%0.575SS**  trans-72.4104.6169-77.1-172.3177.3-1790107.6P270 G274P270-K272 PolarHBondContact O-N 3.22Å; K272-G274 PolarHBondContact O-N 3.38Å
273Q45.3Very low70.8Confident200 Ų200102.6 Ų102.694%0.93558%0.583SS**THydrogen-bonded Turntrans-64110.8163.5-74.1177.6-1.500107.6K271K271-Q273 PolarHBondContact O-N 2.95Å; K271-Q273 VanDerWaalsContact O-N 3.15Å
274G51Low70.6Confident76 Ų76105 Ų10578%0.78460%0.604SS**THydrogen-bonded Turntrans124.212.3159.100000120K272K272-G274 PolarHBondContact O-N 3.38Å
275D46.8Very low70.6Confident119 Ų119106.5 Ų106.564%0.63661%0.606SS**  trans-136.495.4174.6-124.2-1.7000111.3G277D275-G277 VanDerWaalsContact C-N 3.26Å; D275-G277 PolarHBondContact O-N 3.41Å
276G49.1Very low70.7Confident96 Ų96111.6 Ų111.699%0.9963%0.627SS**THydrogen-bonded Turntrans-77.851.4-174.500000115
277G52.5Low71.1Confident73 Ų73107.5 Ų107.575%0.75361%0.608SS**THydrogen-bonded Turntrans-177.127.7-179.900000118.4D275D275-G277 VanDerWaalsContact C-N 3.26Å; D275-G277 PolarHBondContact O-N 3.41Å
278K53.7Low71.5Confident161 Ų161108.7 Ų108.770%0.762%0.615SS**SBendtrans-105.4129.2170.7-76.5-176.1176.7169.30110.8L280K278-L280 PolarHBondContact O-N 3.3Å
279D63.5Low71.9Confident160 Ų160107.2 Ų107.286%0.85661%0.608SS**  trans-33.5122179.5-61.6-51.6000111.4
280L65.5Low72.6Confident133 Ų133105.8 Ų105.870%0.69660%0.595SS**  trans-52.4129.3168.1-77.2159.8000107.2K278 T282K278-L280 PolarHBondContact O-N 3.3Å; L280-T282 PolarHBondContact O-N 3.48Å
281P71.8Confident73.8Confident58 Ų58101.7 Ų101.738%0.37757%0.569SS.*  trans-57.1118.3176.815.3-22.1000108.5P265 A269P265-P281 HydrophobicContact CB-CB 4.15Å; P265-P281 HydrophobicContact CB-CG 4.22Å; P265-P281 WeakPolarHBondContact CG-O 3.39Å; A269-P281 HydrophobicContact CB-CG 4.03Å
282T81.6Confident75.3Confident134 Ų13495.4 Ų95.482%0.82256%0.555SS**  trans-89.4-18.6-177.752.60000112.6L280L280-T282 PolarHBondContact O-N 3.48Å
283E88.6Confident77.2Confident164 Ų16489.6 Ų89.677%0.76653%0.531SS*.SBendtrans-82.2130.5-178.8-66.7-170.4169.900111.3P265 K285P265-E283 WeakPolarHBondContact CB-O 3.5Å; E283-K285 PolarHBondContact O-N 2.94Å
284A92.6Very high79.5Confident55 Ų5585.7 Ų85.746%0.45551%0.512SS..  trans-57.1135.6176.900000111.6K262 L263 K286K262-A284 HydrophobicContact CB-CB 4.22Å; L263-A284 CarbonylContact O-C 3.51Å; L263-A284 WeakPolarHBondContact O-CA 3.19Å; A284-K286 PolarHBondContact O-N 3.26Å; A284-K286 VanDerWaalsContact O-N 3.1Å
285K95Very high81.7Confident73 Ų7382.7 Ų82.732%0.31748%0.478SS..EExtended strand (participates in β ladder)trans-69.2108173179.471.4176-172.60108.9L263 F268 E283 L287L263-K285 HydrophobicContact CB-CB 4.33Å; L263-K285 PolarHBondContact N-O 3.47Å; L263-K285 PolarHBondContact O-N 3.3Å; F268-K285 HydrophobicContact CB-CB 4.5Å; F268-K285 HydrophobicContact CB-CD 4.16Å; F268-K285 HydrophobicContact CB-CG 4.18Å; F268-K285 HydrophobicContact CD1-CD 4.35Å; F268-K285 HydrophobicContact CD1-CG 3.89Å; F268-K285 HydrophobicContact CD2-CB 3.86Å; F268-K285 HydrophobicContact CD2-CG 3.89Å; F268-K285 HydrophobicContact CE1-CG 4.26Å; F268-K285 HydrophobicContact CE2-CB 4.29Å; F268-K285 HydrophobicContact CE2-CG 4.28Å; F268-K285 HydrophobicContact CG-CB 4.12Å; F268-K285 HydrophobicContact CG-CD 4.18Å; F268-K285 HydrophobicContact CG-CG 3.7Å; F268-K285 HydrophobicContact CZ-CG 4.47Å; E283-K285 PolarHBondContact O-N 2.94Å; K285-L287 HydrophobicContact CG-CD1 4.42Å; K285-L287 HydrophobicContact CG-CG 4.14Å
286K95.6Very high84.2Confident123 Ų12377 Ų7754%0.53545%0.448SS..EExtended strand (participates in β ladder)trans-88.7125.4173.1-170.4176179.6-179.60110.5Y260 V261 A284Y260-K286 HydrophobicContact CD1-CD 4.18Å; Y260-K286 HydrophobicContact CD1-CG 3.92Å; V261-K286 WeakPolarHBondContact O-CA 3.46Å; A284-K286 PolarHBondContact O-N 3.26Å; A284-K286 VanDerWaalsContact O-N 3.1Å
287L96.7Very high86.4Confident25 Ų2574 Ų7413%0.13141%0.414CS..EExtended strand (participates in β ladder)trans-125.7142.1176.3-69.3176000110.5Y260 V261 L263 F268 K285 N353 I357Y260-L287 VanDerWaalsContact CA-O 3.26Å; Y260-L287 WeakPolarHBondContact CA-O 2.98Å; Y260-L287 WeakPolarHBondContact CD1-O 3.3Å; V261-L287 HydrophobicContact CG1-CB 4.03Å; V261-L287 PolarHBondContact N-O 3.36Å; V261-L287 PolarHBondContact O-N 2.89Å; L263-L287 HydrophobicContact CD1-CD1 3.89Å; F268-L287 HydrophobicContact CE1-CD1 4.05Å; K285-L287 HydrophobicContact CG-CD1 4.42Å; K285-L287 HydrophobicContact CG-CG 4.14Å; L287-N353 HydrophobicContact CD1-CB 4.06Å; L287-I357 HydrophobicContact CD1-CD1 3.87Å
288Q96Very high88.6Confident84 Ų8474.1 Ų74.139%0.39340%0.395SS..EExtended strand (participates in β ladder)trans-90.5132.9171.1-165.917717.200109S259 Y260 N290S259-Q288 CarbonylContact O-C 3.58Å; S259-Q288 VanDerWaalsContact O-CA 3.31Å; S259-Q288 WeakPolarHBondContact O-CA 3.31Å; S259-Q288 WeakPolarHBondContact O-CG 3.45Å; Y260-Q288 HydrophobicContact CD1-CB 3.89Å; Y260-Q288 HydrophobicContact CD1-CG 4.25Å; Y260-Q288 HydrophobicContact CE1-CB 3.52Å; Y260-Q288 HydrophobicContact CE1-CG 3.8Å; Y260-Q288 HydrophobicContact CE2-CG 4.25Å; Q288-N290 PolarHBondContact NE2-ND2 2.89Å
289L97.3Very high90.7Very high3 Ų366.5 Ų66.52%0.01636%0.361CS..  trans-120.2103.4-175.2-62.3-175.6000109.4I250 I256 S259 V261 Y296I250-L289 HydrophobicContact CD1-CD1 4.23Å; I250-L289 HydrophobicContact CG2-CD1 4.04Å; I256-L289 HydrophobicContact CD1-CD1 3.88Å; I256-L289 HydrophobicContact CG1-CD1 4.22Å; S259-L289 WeakPolarHBondContact CB-O 3.42Å; S259-L289 PolarHBondContact O-N 3.48Å; V261-L289 HydrophobicContact CB-CD1 3.94Å; V261-L289 HydrophobicContact CG1-CD1 3.69Å; V261-L289 HydrophobicContact CG1-CD2 4.4Å; V261-L289 HydrophobicContact CG1-CG 4.04Å; L289-Y296 HydrophobicContact CB-CD1 4.49Å; L289-Y296 HydrophobicContact CB-CE1 3.79Å; L289-Y296 HydrophobicContact CB-CE2 4.24Å; L289-Y296 HydrophobicContact CD1-CE2 4.39Å; L289-Y296 HydrophobicContact CD2-CD2 4.12Å; L289-Y296 HydrophobicContact CD2-CE2 3.86Å; L289-Y296 HydrophobicContact CG-CE2 4.38Å
290N95.3Very high92.4Very high7 Ų759.3 Ų59.34%0.03732%0.322CS..SBendtrans-163.3175.9172.759.942.4000110.6Q288 A292 E293 Y296Q288-N290 PolarHBondContact NE2-ND2 2.89Å; N290-A292 PolarHBondContact O-N 3.37Å; N290-A292 WeakPolarHBondContact OD1-CB 3.39Å; N290-A292 PolarHBondContact OD1-N 2.63Å; N290-E293 PolarHBondContact O-N 3.48Å; N290-Y296 WeakPolarHBondContact O-CD1 3.32Å
291S95.4Very high94Very high20 Ų2053.8 Ų53.814%0.1429%0.293CS..THydrogen-bonded Turntrans-70.77.4-177.2-51.30000115.5Y7 D148 R300Y7-S291 WeakPolarHBondContact CE1-OG 3.24Å; Y7-S291 PolarHBondContact OH-OG 3.32Å; Y7-S291 VanDerWaalsContact OH-OG 3.07Å; D148-S291 VanDerWaalsContact CG-OG 3.22Å; D148-S291 WeakPolarHBondContact OD1-CB 3.5Å; D148-S291 PolarHBondContact OD1-OG 3.21Å; D148-S291 WeakPolarHBondContact OD2-CB 3.07Å; D148-S291 PolarHBondContact OD2-N 3.05Å; D148-S291 PolarHBondContact OD2-OG 3.14Å; S291-R300 PolarHBondContact OG-NH1 3.14Å; S291-R300 PolarHBondContact OG-NH2 3.45Å
292A93.3Very high95.3Very high71 Ų7154.4 Ų54.459%0.58729%0.29SS*.THydrogen-bonded Turntrans-70.8-23.3169.300000111.7H4 N290H4-A292 HydrophobicContact CB-CB 4.17Å; N290-A292 PolarHBondContact O-N 3.37Å; N290-A292 WeakPolarHBondContact OD1-CB 3.39Å; N290-A292 PolarHBondContact OD1-N 2.63Å
293E94.4Very high96.1Very high47 Ų4748.2 Ų48.222%0.2225%0.252CS..SBendtrans-97.6111.9174-177.5172.4-150.300110N290 L295 Y296 A297 S350 H354N290-E293 PolarHBondContact O-N 3.48Å; E293-L295 PolarHBondContact O-N 3.48Å; E293-Y296 PolarHBondContact O-N 3.03Å; E293-A297 PolarHBondContact O-N 3.06Å; E293-S350 VanDerWaalsContact CD-OG 3.27Å; E293-S350 WeakPolarHBondContact CG-OG 3.2Å; E293-S350 VanDerWaalsContact OE1-CA 3.27Å; E293-S350 WeakPolarHBondContact OE1-CA 3.35Å; E293-S350 WeakPolarHBondContact OE1-CB 3.29Å; E293-S350 PolarHBondContact OE1-OG 3.02Å; E293-H354 VanDerWaalsContact CD-NE2 3.3Å; E293-H354 IonicContact OE1-CD2 2.86Å; E293-H354 IonicContact OE1-NE2 3.6Å; E293-H354 PolarHBondContact OE1-NE2 3.35Å; E293-H354 IonicContact OE2-CE1 3.66Å; E293-H354 IonicContact OE2-NE2 3.63Å; E293-H354 PolarHBondContact OE2-NE2 3.41Å; E293-H354 VanDerWaalsContact OE2-NE2 3.15Å
294E94.1Very high96.5Very high118 Ų11841.6 Ų41.655%0.55122%0.221SC*.Hα-helixtrans-57.3-45.4-173.5-173.6-166.8142.200112.8Y296 A297 E298 K314E294-Y296 PolarHBondContact O-N 3.12Å; E294-A297 PolarHBondContact O-N 3.17Å; E294-E298 PolarHBondContact O-N 3.07Å; E294-E298 VanDerWaalsContact O-N 3.11Å; E294-K314 IonicContact OE1-NZ 3.75Å; E294-K314 PolarHBondContact OE1-NZ 3.38Å
295L97.6Very high96.8Very high13 Ų1343.6 Ų43.67%0.06822%0.224CC..Hα-helixtrans-63.9-42.9-179.9179.259.2000111.3E293 E298 I299 L311 K314 S350 L351 H354E293-L295 PolarHBondContact O-N 3.48Å; L295-E298 PolarHBondContact O-N 3.24Å; L295-I299 HydrophobicContact CD1-CG2 4.16Å; L295-I299 HydrophobicContact CG-CD1 4.43Å; L295-I299 WeakPolarHBondContact O-CG1 3.41Å; L295-I299 PolarHBondContact O-N 3.44Å; L295-I299 VanDerWaalsContact O-N 3.16Å; L295-L311 HydrophobicContact CD1-CD2 4.31Å; L295-L311 HydrophobicContact CD2-CD2 4.06Å; L295-K314 HydrophobicContact CD1-CB 4.42Å; L295-K314 HydrophobicContact CD1-CD 4.38Å; L295-K314 HydrophobicContact CD1-CG 3.87Å; L295-S350 WeakPolarHBondContact CB-OG 3.41Å; L295-L351 HydrophobicContact CD2-CB 4.15Å; L295-L351 HydrophobicContact CD2-CD1 4.06Å; L295-H354 HydrophobicContact CD2-CB 4.16Å
296Y98.2Very high96.9Very high0 Ų040.4 Ų40.40%021%0.211CC..Hα-helixtrans-60.7-47.7177-177.6-112.7000111.3Y246 E247 I250 L289 N290 E293 E294 E298 I299 R300 H354Y246-Y296 HydrophobicContact CD1-CD2 4.49Å; Y246-Y296 HydrophobicContact CD1-CE2 4.21Å; Y246-Y296 HydrophobicContact CE1-CD2 4.06Å; Y246-Y296 AromaticContact CE1-CE2 3.98Å; Y246-Y296 HydrophobicContact CE1-CE2 3.98Å; E247-Y296 WeakPolarHBondContact CG-OH 3.16Å; E247-Y296 PolarHBondContact OE1-OH 2.72Å; I250-Y296 HydrophobicContact CD1-CE2 4.49Å; L289-Y296 HydrophobicContact CB-CD1 4.49Å; L289-Y296 HydrophobicContact CB-CE1 3.79Å; L289-Y296 HydrophobicContact CB-CE2 4.24Å; L289-Y296 HydrophobicContact CD1-CE2 4.39Å; L289-Y296 HydrophobicContact CD2-CD2 4.12Å; L289-Y296 HydrophobicContact CD2-CE2 3.86Å; L289-Y296 HydrophobicContact CG-CE2 4.38Å; N290-Y296 WeakPolarHBondContact O-CD1 3.32Å; E293-Y296 PolarHBondContact O-N 3.03Å; E294-Y296 PolarHBondContact O-N 3.12Å; Y296-E298 PolarHBondContact O-N 3.44Å; Y296-I299 PolarHBondContact O-N 2.91Å; Y296-I299 VanDerWaalsContact O-N 3.13Å; Y296-R300 HydrophobicContact CD1-CB 4.46Å; Y296-R300 HydrophobicContact CD2-CB 4.33Å; Y296-R300 HydrophobicContact CE1-CB 4.07Å; Y296-R300 HydrophobicContact CE2-CB 3.96Å; Y296-R300 VanDerWaalsContact O-CB 3.29Å; Y296-R300 WeakPolarHBondContact O-CB 3.45Å; Y296-R300 WeakPolarHBondContact O-CG 3.25Å; Y296-R300 PolarHBondContact O-N 2.92Å; Y296-H354 AromaticContact CD2-CE1 3.41Å; Y296-H354 VanDerWaalsContact CD2-CE1 3.41Å; Y296-H354 WeakPolarHBondContact CD2-CE1 3.33Å
297A96.8Very high97.1Very high33 Ų3334.6 Ų34.627%0.27319%0.186SC..Hα-helixtrans-56.3-33.5177.300000112.6E293 E294E293-A297 PolarHBondContact O-N 3.06Å; E294-A297 PolarHBondContact O-N 3.17Å
298E97.5Very high97.1Very high75 Ų7535.4 Ų35.435%0.3520%0.2SC..Hα-helixtrans-76.3-34.1178.4-174.9176.5164.400113.6E294 L295 Y296 K302 V310 K314E294-E298 PolarHBondContact O-N 3.07Å; E294-E298 VanDerWaalsContact O-N 3.11Å; L295-E298 PolarHBondContact O-N 3.24Å; Y296-E298 PolarHBondContact O-N 3.44Å; E298-K302 WeakPolarHBondContact O-CE 3.32Å; E298-V310 HydrophobicContact CG-CG1 4.34Å; E298-V310 WeakPolarHBondContact OE1-CG1 3.32Å; E298-K314 WeakPolarHBondContact OE2-CE 3.31Å; E298-K314 IonicContact OE2-NZ 3.16Å; E298-K314 PolarHBondContact OE2-NZ 2.9Å
299I98.6Very high97.2Very high0 Ų034.6 Ų34.60%020%0.204CC..Hα-helixtrans-102.3-22.6-17268.8-178.6000114.6Y246 L295 Y296 D301 K302 V307 V310 L311 H354Y246-I299 WeakPolarHBondContact CB-O 3.37Å; Y246-I299 HydrophobicContact CD1-CD1 3.99Å; Y246-I299 HydrophobicContact CD1-CG1 3.78Å; Y246-I299 HydrophobicContact CE1-CD1 3.67Å; Y246-I299 HydrophobicContact CE1-CG1 3.91Å; Y246-I299 HydrophobicContact CE2-CD1 4.31Å; Y246-I299 HydrophobicContact CG-CD1 4.45Å; Y246-I299 HydrophobicContact CG-CG1 4.31Å; L295-I299 HydrophobicContact CD1-CG2 4.16Å; L295-I299 HydrophobicContact CG-CD1 4.43Å; L295-I299 WeakPolarHBondContact O-CG1 3.41Å; L295-I299 PolarHBondContact O-N 3.44Å; L295-I299 VanDerWaalsContact O-N 3.16Å; Y296-I299 PolarHBondContact O-N 2.91Å; Y296-I299 VanDerWaalsContact O-N 3.13Å; I299-D301 VanDerWaalsContact C-N 3.27Å; I299-D301 PolarHBondContact O-N 3.46Å; I299-D301 VanDerWaalsContact O-N 3.17Å; I299-K302 WeakPolarHBondContact O-CB 3.39Å; I299-K302 PolarHBondContact O-N 2.88Å; I299-V307 HydrophobicContact CB-CG1 4.48Å; I299-V307 HydrophobicContact CD1-CG1 4.33Å; I299-V310 HydrophobicContact CG2-CB 4.11Å; I299-V310 HydrophobicContact CG2-CG1 3.65Å; I299-L311 HydrophobicContact CD1-CD2 4.24Å; I299-H354 HydrophobicContact CD1-CB 4.04Å
300R98.5Very high97.3Very high10 Ų1035.2 Ų35.24%0.03821%0.208CC..THydrogen-bonded Turntrans-52.8-40.2-172.562.5172.9-174.4-169.9-7.9114.5Y7 D148 E247 S291 Y296 R562Y7-R300 PolarHBondContact OH-NH2 3.31Å; Y7-R300 VanDerWaalsContact OH-NH2 3.1Å; D148-R300 IonicContact OD2-CZ 3.45Å; D148-R300 IonicContact OD2-NH1 2.68Å; D148-R300 PolarHBondContact OD2-NH1 3.3Å; D148-R300 IonicContact OD2-NH2 3.28Å; E247-R300 HydrophobicContact CB-CB 3.94Å; E247-R300 WeakPolarHBondContact CB-O 3.48Å; E247-R300 PolarHBondContact N-O 3.1Å; S291-R300 PolarHBondContact OG-NH1 3.14Å; S291-R300 PolarHBondContact OG-NH2 3.45Å; Y296-R300 HydrophobicContact CD1-CB 4.46Å; Y296-R300 HydrophobicContact CD2-CB 4.33Å; Y296-R300 HydrophobicContact CE1-CB 4.07Å; Y296-R300 HydrophobicContact CE2-CB 3.96Å; Y296-R300 VanDerWaalsContact O-CB 3.29Å; Y296-R300 WeakPolarHBondContact O-CB 3.45Å; Y296-R300 WeakPolarHBondContact O-CG 3.25Å; Y296-R300 PolarHBondContact O-N 2.92Å; R300-R562 VanDerWaalsContact NE-NH1 3.14Å; R300-R562 VanDerWaalsContact NH2-CZ 3.27Å
301D98.6Very high97.4Very high16 Ų1635.5 Ų35.59%0.08621%0.209CC..THydrogen-bonded Turntrans-92.4-4.6-173.7-56.3-50.8000111.8I299 Y487 A559 R562I299-D301 VanDerWaalsContact C-N 3.27Å; I299-D301 PolarHBondContact O-N 3.46Å; I299-D301 VanDerWaalsContact O-N 3.17Å; D301-Y487 WeakPolarHBondContact O-CE2 3.26Å; D301-Y487 PolarHBondContact O-OH 3.15Å; D301-A559 HydrophobicContact CB-CB 3.79Å; D301-A559 WeakPolarHBondContact OD1-CA 3.45Å; D301-R562 VanDerWaalsContact OD1-CD 3.3Å; D301-R562 WeakPolarHBondContact OD1-CD 3.35Å; D301-R562 IonicContact OD1-NH1 3.69Å; D301-R562 PolarHBondContact OD1-NH1 2.69Å; D301-R562 VanDerWaalsContact OD1-NH1 3.11Å; D301-R562 WeakPolarHBondContact OD2-CD 3.14Å
302K98.7Very high97.5Very high72 Ų7237.9 Ų37.931%0.31323%0.226SC..SBendtrans-78.5145.2180-65.4-173.1179.8-62.70110.5T245 Y246 E298 I299 A306 V307 V310T245-K302 CarbonylContact C-O 3.47Å; T245-K302 VanDerWaalsContact CA-O 3.22Å; T245-K302 WeakPolarHBondContact CA-O 3.43Å; Y246-K302 PolarHBondContact N-O 2.91Å; E298-K302 WeakPolarHBondContact O-CE 3.32Å; I299-K302 WeakPolarHBondContact O-CB 3.39Å; I299-K302 PolarHBondContact O-N 2.88Å; K302-A306 HydrophobicContact CB-CB 4.34Å; K302-V307 HydrophobicContact CB-CG2 4.37Å; K302-V310 HydrophobicContact CD-CG2 3.82Å
303N98.7Very high97.8Very high3 Ų341.1 Ų41.12%0.01623%0.227CC..BIsolated β-bridgetrans-58.1140.6163.4-177.7-69.6000108.9L244 N305 A306 E479 Y487 S490L244-N303 WeakPolarHBondContact O-CA 3.35Å; N303-N305 PolarHBondContact O-N 3.35Å; N303-N305 VanDerWaalsContact O-N 3.13Å; N303-N305 WeakPolarHBondContact OD1-CB 3.2Å; N303-N305 PolarHBondContact OD1-N 2.99Å; N303-A306 WeakPolarHBondContact O-CB 3.33Å; N303-A306 PolarHBondContact O-N 3.28Å; N303-E479 HydrophobicContact CB-CB 4Å; N303-E479 HydrophobicContact CB-CG 4.45Å; N303-Y487 HydrophobicContact CB-CD2 3.95Å; N303-Y487 PolarHBondContact ND2-O 3.31Å; N303-S490 PolarHBondContact ND2-OG 2.84Å
304F98.6Very high97.9Very high26 Ų2640.6 Ų40.611%0.11422%0.224CC..Hα-helixtrans-55.9-34.1-173.5-171.7-116.2000113.8L244 Y246 L249 A306 V307 A358 I361 K362L244-F304 PolarHBondContact O-N 2.92Å; Y246-F304 HydrophobicContact CD2-CD2 4.05Å; Y246-F304 HydrophobicContact CD2-CE2 4.17Å; L249-F304 HydrophobicContact CD1-CB 3.44Å; L249-F304 VanDerWaalsContact CD1-CB 3.44Å; L249-F304 HydrophobicContact CD1-CD1 4.15Å; L249-F304 HydrophobicContact CD1-CD2 4.14Å; L249-F304 HydrophobicContact CD1-CG 3.64Å; F304-A306 PolarHBondContact O-N 3.2Å; F304-A306 VanDerWaalsContact O-N 3.14Å; F304-V307 HydrophobicContact CD2-CB 4.44Å; F304-V307 HydrophobicContact CD2-CG2 4.23Å; F304-V307 WeakPolarHBondContact O-CB 3.38Å; F304-V307 PolarHBondContact O-N 3.48Å; F304-A358 HydrophobicContact CE2-CB 4.17Å; F304-A358 HydrophobicContact CZ-CB 4.37Å; F304-A358 WeakPolarHBondContact CZ-O 3.46Å; F304-I361 HydrophobicContact CD1-CG2 3.99Å; F304-I361 HydrophobicContact CD2-CB 4.49Å; F304-I361 HydrophobicContact CD2-CD1 4.31Å; F304-I361 HydrophobicContact CD2-CG2 3.86Å; F304-I361 HydrophobicContact CE1-CB 4.31Å; F304-I361 HydrophobicContact CE1-CG2 3.68Å; F304-I361 HydrophobicContact CE2-CB 3.76Å; F304-I361 HydrophobicContact CE2-CD1 3.91Å; F304-I361 HydrophobicContact CE2-CG1 4.46Å; F304-I361 HydrophobicContact CE2-CG2 3.56Å; F304-I361 HydrophobicContact CG-CG2 4.08Å; F304-I361 HydrophobicContact CZ-CB 3.66Å; F304-I361 HydrophobicContact CZ-CG2 3.47Å; F304-I361 VanDerWaalsContact CZ-CG2 3.47Å; F304-K362 HydrophobicContact CE1-CB 4.33Å; F304-K362 HydrophobicContact CZ-CB 4.33Å
305N97.8Very high98.1Very high97 Ų9736.5 Ų36.552%0.51921%0.21SC..Hα-helixtrans-64-19.5177.7-71.9-21.6000113.3N303 E479N303-N305 PolarHBondContact O-N 3.35Å; N303-N305 VanDerWaalsContact O-N 3.13Å; N303-N305 WeakPolarHBondContact OD1-CB 3.2Å; N303-N305 PolarHBondContact OD1-N 2.99Å; N305-E479 HydrophobicContact CB-CB 4.38Å; N305-E479 WeakPolarHBondContact CB-OE2 3.25Å; N305-E479 PolarHBondContact ND2-OE2 3.47Å
306A98.2Very high98.1Very high5 Ų543.5 Ų43.54%0.04124%0.24CC..Hα-helixtrans-88.9-15174.100000113.8K302 N303 F304 S309 Q480K302-A306 HydrophobicContact CB-CB 4.34Å; N303-A306 WeakPolarHBondContact O-CB 3.33Å; N303-A306 PolarHBondContact O-N 3.28Å; F304-A306 PolarHBondContact O-N 3.2Å; F304-A306 VanDerWaalsContact O-N 3.14Å; A306-S309 PolarHBondContact O-OG 2.91Å; A306-Q480 HydrophobicContact CB-CG 4.46Å
307V98.6Very high98Very high1 Ų148 Ų481%0.00626%0.263CS..Hα-helixtrans-69.5-41.8-171.6175.60000111.8Y246 I299 K302 F304 S309 V310 L311Y246-V307 HydrophobicContact CD2-CB 4.5Å; Y246-V307 HydrophobicContact CD2-CG1 3.96Å; Y246-V307 HydrophobicContact CD2-CG2 3.93Å; Y246-V307 HydrophobicContact CE2-CG1 4.24Å; Y246-V307 HydrophobicContact CG-CG2 4.15Å; I299-V307 HydrophobicContact CB-CG1 4.48Å; I299-V307 HydrophobicContact CD1-CG1 4.33Å; K302-V307 HydrophobicContact CB-CG2 4.37Å; F304-V307 HydrophobicContact CD2-CB 4.44Å; F304-V307 HydrophobicContact CD2-CG2 4.23Å; F304-V307 WeakPolarHBondContact O-CB 3.38Å; F304-V307 PolarHBondContact O-N 3.48Å; V307-S309 VanDerWaalsContact C-N 3.27Å; V307-S309 PolarHBondContact O-N 2.9Å; V307-V310 PolarHBondContact O-N 3.45Å; V307-V310 VanDerWaalsContact O-N 3.1Å; V307-L311 HydrophobicContact CG1-CD1 3.84Å; V307-L311 HydrophobicContact CG1-CG 3.99Å; V307-L311 WeakPolarHBondContact O-CG 3.49Å; V307-L311 PolarHBondContact O-N 2.97Å
308G97.9Very high97.9Very high43 Ų4347.5 Ų47.544%0.44326%0.256SS..Hα-helixtrans-59.7-35.3-176.300000113.8S312G308-S312 WeakPolarHBondContact O-CB 3.34Å; G308-S312 PolarHBondContact O-N 2.97Å; G308-S312 PolarHBondContact O-OG 3.43Å
309S97.4Very high97.8Very high66 Ų6647.3 Ų47.346%0.46226%0.262SS..Hα-helixtrans-69.5-38.6177.368.30000111.7A306 V307 S312 K313A306-S309 PolarHBondContact O-OG 2.91Å; V307-S309 VanDerWaalsContact C-N 3.27Å; V307-S309 PolarHBondContact O-N 2.9Å; S309-S312 PolarHBondContact O-N 3.04Å; S309-K313 WeakPolarHBondContact O-CB 3.31Å; S309-K313 PolarHBondContact O-N 2.96Å
310V98.1Very high97.6Very high17 Ų1750 Ų5010%0.10329%0.285CS..Hα-helixtrans-66.7-48.3176.5-178.70000111E298 I299 K302 V307 S312 K313 K314E298-V310 HydrophobicContact CG-CG1 4.34Å; E298-V310 WeakPolarHBondContact OE1-CG1 3.32Å; I299-V310 HydrophobicContact CG2-CB 4.11Å; I299-V310 HydrophobicContact CG2-CG1 3.65Å; K302-V310 HydrophobicContact CD-CG2 3.82Å; V307-V310 PolarHBondContact O-N 3.45Å; V307-V310 VanDerWaalsContact O-N 3.1Å; V310-S312 VanDerWaalsContact C-N 3.31Å; V310-S312 PolarHBondContact O-N 3.22Å; V310-K313 PolarHBondContact O-N 3.12Å; V310-K313 VanDerWaalsContact O-N 3.17Å; V310-K314 HydrophobicContact CG1-CG 4.4Å; V310-K314 WeakPolarHBondContact O-CG 3.14Å; V310-K314 PolarHBondContact O-N 3.18Å
311L98.4Very high97.3Very high13 Ų1350.8 Ų50.87%0.06829%0.294CS..Hα-helixtrans-58.7-44177-66.1179.8000111.2L295 I299 V307 K313 K314 A315 L351 H354 A358L295-L311 HydrophobicContact CD1-CD2 4.31Å; L295-L311 HydrophobicContact CD2-CD2 4.06Å; I299-L311 HydrophobicContact CD1-CD2 4.24Å; V307-L311 HydrophobicContact CG1-CD1 3.84Å; V307-L311 HydrophobicContact CG1-CG 3.99Å; V307-L311 WeakPolarHBondContact O-CG 3.49Å; V307-L311 PolarHBondContact O-N 2.97Å; L311-K313 VanDerWaalsContact C-N 3.35Å; L311-K313 PolarHBondContact O-N 2.68Å; L311-K314 PolarHBondContact O-N 3.38Å; L311-A315 WeakPolarHBondContact O-CB 3.07Å; L311-A315 PolarHBondContact O-N 3.16Å; L311-L351 HydrophobicContact CB-CD1 4.39Å; L311-L351 HydrophobicContact CD2-CD1 3.99Å; L311-H354 HydrophobicContact CD2-CB 4.08Å; L311-A358 HydrophobicContact CD1-CB 3.86Å
312S98.2Very high97Very high70 Ų7051.9 Ų51.949%0.4930%0.298SS..Hα-helixtrans-61.7-41.2176.9-62.50000112.5G308 S309 V310 K316G308-S312 WeakPolarHBondContact O-CB 3.34Å; G308-S312 PolarHBondContact O-N 2.97Å; G308-S312 PolarHBondContact O-OG 3.43Å; S309-S312 PolarHBondContact O-N 3.04Å; V310-S312 VanDerWaalsContact C-N 3.31Å; V310-S312 PolarHBondContact O-N 3.22Å; S312-K316 WeakPolarHBondContact O-CG 3.23Å; S312-K316 PolarHBondContact O-N 3.3Å
313K98Very high96.7Very high138 Ų13854 Ų5460%0.631%0.309SS*.Hα-helixtrans-65.2-46.6176.1-175.5-178.5177.6-175.20111.2S309 V310 L311 A315 K316 I317S309-K313 WeakPolarHBondContact O-CB 3.31Å; S309-K313 PolarHBondContact O-N 2.96Å; V310-K313 PolarHBondContact O-N 3.12Å; V310-K313 VanDerWaalsContact O-N 3.17Å; L311-K313 VanDerWaalsContact C-N 3.35Å; L311-K313 PolarHBondContact O-N 2.68Å; K313-A315 VanDerWaalsContact C-N 3.34Å; K313-A315 PolarHBondContact O-N 3.03Å; K313-K316 PolarHBondContact O-N 3.04Å; K313-I317 HydrophobicContact CG-CD1 4.1Å; K313-I317 WeakPolarHBondContact O-CG1 3.41Å; K313-I317 PolarHBondContact O-N 2.53Å; K313-I317 VanDerWaalsContact O-N 3.08Å
314K97.2Very high96.3Very high36 Ų3658.9 Ų58.916%0.15733%0.332CS..Hα-helixtrans-64-38178.2-72.2-79.2-175.2167.40112.1E294 L295 E298 V310 L311 K316 I317 I318 L351E294-K314 IonicContact OE1-NZ 3.75Å; E294-K314 PolarHBondContact OE1-NZ 3.38Å; L295-K314 HydrophobicContact CD1-CB 4.42Å; L295-K314 HydrophobicContact CD1-CD 4.38Å; L295-K314 HydrophobicContact CD1-CG 3.87Å; E298-K314 WeakPolarHBondContact OE2-CE 3.31Å; E298-K314 IonicContact OE2-NZ 3.16Å; E298-K314 PolarHBondContact OE2-NZ 2.9Å; V310-K314 HydrophobicContact CG1-CG 4.4Å; V310-K314 WeakPolarHBondContact O-CG 3.14Å; V310-K314 PolarHBondContact O-N 3.18Å; L311-K314 PolarHBondContact O-N 3.38Å; K314-K316 VanDerWaalsContact C-N 3.34Å; K314-K316 PolarHBondContact O-N 3.45Å; K314-I317 PolarHBondContact O-N 2.68Å; K314-I318 WeakPolarHBondContact O-CB 3.31Å; K314-I318 WeakPolarHBondContact O-CG1 3.49Å; K314-I318 PolarHBondContact O-N 3.34Å; K314-L351 HydrophobicContact CB-CD1 4.28Å
315A97.7Very high95.7Very high33 Ų3365.8 Ų65.827%0.27336%0.357SS..Hα-helixtrans-57.7-44.7173.400000112.5L311 K313 S319 L351L311-A315 WeakPolarHBondContact O-CB 3.07Å; L311-A315 PolarHBondContact O-N 3.16Å; K313-A315 VanDerWaalsContact C-N 3.34Å; K313-A315 PolarHBondContact O-N 3.03Å; A315-S319 WeakPolarHBondContact O-CB 3.33Å; A315-S319 PolarHBondContact O-N 3.36Å; A315-S319 PolarHBondContact O-OG 3.26Å; A315-L351 VanDerWaalsContact CA-CD2 3.46Å; A315-L351 HydrophobicContact CB-CD2 3.72Å
316K98Very high95.2Very high160 Ų16067.4 Ų67.470%0.69636%0.361SS*.Hα-helixtrans-64.4-44.9176.3-69.2175.7-177.51800112S312 K313 K314 S319 A320S312-K316 WeakPolarHBondContact O-CG 3.23Å; S312-K316 PolarHBondContact O-N 3.3Å; K313-K316 PolarHBondContact O-N 3.04Å; K314-K316 VanDerWaalsContact C-N 3.34Å; K314-K316 PolarHBondContact O-N 3.45Å; K316-S319 PolarHBondContact O-N 3.33Å; K316-A320 WeakPolarHBondContact O-CB 3.06Å; K316-A320 PolarHBondContact O-N 3.36Å
317I96.2Very high94.7Very high93 Ų9372.6 Ų72.648%0.47739%0.388SS..Hα-helixtrans-61.7-49.4178.7-67.6167.2000110.8K313 K314 S319 A320 A321K313-I317 HydrophobicContact CG-CD1 4.1Å; K313-I317 WeakPolarHBondContact O-CG1 3.41Å; K313-I317 PolarHBondContact O-N 2.53Å; K313-I317 VanDerWaalsContact O-N 3.08Å; K314-I317 PolarHBondContact O-N 2.68Å; I317-S319 VanDerWaalsContact C-N 3.35Å; I317-S319 PolarHBondContact O-N 3.13Å; I317-A320 PolarHBondContact O-N 3.31Å; I317-A321 PolarHBondContact O-N 3.26Å
318I95Very high94Very high24 Ų2473.6 Ų73.612%0.12340%0.397CS..Hα-helixtrans-62.1-45.5179.7-71165.1000110K314 A320 A321 F322 A347 R348 L351K314-I318 WeakPolarHBondContact O-CB 3.31Å; K314-I318 WeakPolarHBondContact O-CG1 3.49Å; K314-I318 PolarHBondContact O-N 3.34Å; I318-A320 PolarHBondContact O-N 3.34Å; I318-A321 PolarHBondContact O-N 2.85Å; I318-F322 HydrophobicContact CG2-CD2 3.84Å; I318-F322 HydrophobicContact CG2-CE2 3.8Å; I318-F322 VanDerWaalsContact O-CD2 3.31Å; I318-F322 WeakPolarHBondContact O-CD2 3.3Å; I318-F322 PolarHBondContact O-N 3.37Å; I318-A347 HydrophobicContact CD1-CB 4.06Å; I318-A347 HydrophobicContact CG1-CB 4.38Å; I318-R348 HydrophobicContact CG2-CB 4.19Å; I318-L351 HydrophobicContact CD1-CB 4.03Å; I318-L351 HydrophobicContact CD1-CD2 3.9Å
319S95Very high93.7Very high70 Ų7080.3 Ų80.349%0.4941%0.413SS..Hα-helixtrans-59.2-47178.3-56.90000111.5A315 K316 I317 A321 F322 E323A315-S319 WeakPolarHBondContact O-CB 3.33Å; A315-S319 PolarHBondContact O-N 3.36Å; A315-S319 PolarHBondContact O-OG 3.26Å; K316-S319 PolarHBondContact O-N 3.33Å; I317-S319 VanDerWaalsContact C-N 3.35Å; I317-S319 PolarHBondContact O-N 3.13Å; S319-A321 VanDerWaalsContact C-N 3.34Å; S319-A321 PolarHBondContact O-N 3.25Å; S319-F322 PolarHBondContact O-N 3.25Å; S319-F322 VanDerWaalsContact O-N 3.17Å; S319-E323 WeakPolarHBondContact O-CG 3.41Å; S319-E323 PolarHBondContact O-N 3.06Å; S319-E323 VanDerWaalsContact O-N 3.14Å
320A94.9Very high93.4Very high58 Ų5880.6 Ų80.648%0.47941%0.412SS..Hα-helixtrans-59.6-42.7176.900000112.4K316 I317 I318 F322 E323 E324K316-A320 WeakPolarHBondContact O-CB 3.06Å; K316-A320 PolarHBondContact O-N 3.36Å; I317-A320 PolarHBondContact O-N 3.31Å; I318-A320 PolarHBondContact O-N 3.34Å; A320-F322 VanDerWaalsContact C-N 3.31Å; A320-F322 PolarHBondContact O-N 2.68Å; A320-E323 PolarHBondContact O-N 3.47Å; A320-E323 VanDerWaalsContact O-N 3.14Å; A320-E324 PolarHBondContact O-N 2.85Å
321A92.9Very high93Very high26 Ų2685.8 Ų85.822%0.21544%0.444CS..Hα-helixtrans-61.8-37176.900000112.3I317 I318 S319 E324 M344I317-A321 PolarHBondContact O-N 3.26Å; I318-A321 PolarHBondContact O-N 2.85Å; S319-A321 VanDerWaalsContact C-N 3.34Å; S319-A321 PolarHBondContact O-N 3.25Å; A321-E324 WeakPolarHBondContact O-CB 3.36Å; A321-E324 PolarHBondContact O-N 3.16Å; A321-M344 HydrophobicContact CB-CE 3.81Å; A321-M344 WeakPolarHBondContact O-CE 3.37Å
322F92.6Very high92.7Very high38 Ų3887.5 Ų87.517%0.16747%0.465CS..Hα-helixtrans-68.6-32.6175-87.4-84.8000112.9I318 S319 A320 E324 R325 L341 M344 Q345 R348I318-F322 HydrophobicContact CG2-CD2 3.84Å; I318-F322 HydrophobicContact CG2-CE2 3.8Å; I318-F322 VanDerWaalsContact O-CD2 3.31Å; I318-F322 WeakPolarHBondContact O-CD2 3.3Å; I318-F322 PolarHBondContact O-N 3.37Å; S319-F322 PolarHBondContact O-N 3.25Å; S319-F322 VanDerWaalsContact O-N 3.17Å; A320-F322 VanDerWaalsContact C-N 3.31Å; A320-F322 PolarHBondContact O-N 2.68Å; F322-E324 VanDerWaalsContact C-N 3.28Å; F322-E324 PolarHBondContact O-N 3.49Å; F322-R325 VanDerWaalsContact O-CB 3.22Å; F322-R325 WeakPolarHBondContact O-CB 3.47Å; F322-R325 PolarHBondContact O-N 3.21Å; F322-L341 HydrophobicContact CE1-CD1 4.01Å; F322-M344 HydrophobicContact CB-CE 4.27Å; F322-M344 HydrophobicContact CD1-CE 4.02Å; F322-M344 HydrophobicContact CD2-CE 3.79Å; F322-M344 HydrophobicContact CE1-CE 4.29Å; F322-M344 HydrophobicContact CE2-CB 3.84Å; F322-M344 HydrophobicContact CE2-CE 4.06Å; F322-M344 HydrophobicContact CG-CE 3.76Å; F322-M344 HydrophobicContact CZ-CB 3.8Å; F322-M344 HydrophobicContact CZ-CE 4.31Å; F322-Q345 HydrophobicContact CZ-CG 4.44Å; F322-R348 HydrophobicContact CE2-CB 4.13Å; F322-R348 HydrophobicContact CZ-CB 4.44Å
323E91.8Very high92.4Very high116 Ų11688.1 Ų88.154%0.54246%0.46SS..Hα-helixtrans-69.2-23.6175.9-66.3-57.9135.800112.8S319 A320 R325 H326S319-E323 WeakPolarHBondContact O-CG 3.41Å; S319-E323 PolarHBondContact O-N 3.06Å; S319-E323 VanDerWaalsContact O-N 3.14Å; A320-E323 PolarHBondContact O-N 3.47Å; A320-E323 VanDerWaalsContact O-N 3.14Å; E323-R325 PolarHBondContact O-N 3.05Å; E323-H326 WeakPolarHBondContact O-CB 3.46Å; E323-H326 PolarHBondContact O-N 2.77Å; E323-H326 IonicContact OE2-CD2 3.48Å; E323-H326 PolarHBondContact OE2-CD2 3.1Å; E323-H326 IonicContact OE2-NE2 2.77Å
324E89Confident92Very high107 Ų10785.4 Ų85.450%0.545%0.451SS..G310 helixtrans-57.9-22.6173.9-65.6-175.917900112.7A320 A321 F322 H326 N327 A328A320-E324 PolarHBondContact O-N 2.85Å; A321-E324 WeakPolarHBondContact O-CB 3.36Å; A321-E324 PolarHBondContact O-N 3.16Å; F322-E324 VanDerWaalsContact C-N 3.28Å; F322-E324 PolarHBondContact O-N 3.49Å; E324-H326 PolarHBondContact O-N 2.93Å; E324-N327 WeakPolarHBondContact O-CB 3.45Å; E324-N327 PolarHBondContact O-N 3.29Å; E324-A328 PolarHBondContact O-N 3.47Å
325R87.2Confident91.8Very high170 Ų17091.6 Ų91.664%0.64248%0.478SS*.G310 helixtrans-51.3-41.2170.7-172.4-176.6173.3-174.9-1.5112.2F322 E323 N327 A328 F337F322-R325 VanDerWaalsContact O-CB 3.22Å; F322-R325 WeakPolarHBondContact O-CB 3.47Å; F322-R325 PolarHBondContact O-N 3.21Å; E323-R325 PolarHBondContact O-N 3.05Å; R325-N327 PolarHBondContact O-N 3.47Å; R325-A328 PolarHBondContact O-N 3.17Å; R325-F337 HydrophobicContact CB-CD1 4.41Å; R325-F337 HydrophobicContact CB-CD2 4.33Å; R325-F337 HydrophobicContact CB-CE1 3.83Å; R325-F337 HydrophobicContact CB-CE2 3.74Å; R325-F337 HydrophobicContact CB-CZ 3.48Å; R325-F337 VanDerWaalsContact CB-CZ 3.48Å; R325-F337 HydrophobicContact CG-CD1 4.2Å; R325-F337 HydrophobicContact CG-CE1 3.75Å; R325-F337 HydrophobicContact CG-CZ 3.94Å
326H87.7Confident91.5Very high131 Ų13195.8 Ų95.861%0.60649%0.492SS*.G310 helixtrans-72.1-18.1-177.9-65.9-65.6000112.5E323 E324E323-H326 WeakPolarHBondContact O-CB 3.46Å; E323-H326 PolarHBondContact O-N 2.77Å; E323-H326 IonicContact OE2-CD2 3.48Å; E323-H326 PolarHBondContact OE2-CD2 3.1Å; E323-H326 IonicContact OE2-NE2 2.77Å; E324-H326 PolarHBondContact O-N 2.93Å
327N87Confident91.2Very high115 Ų11589.1 Ų89.162%0.61546%0.463SS*.G310 helixtrans-89.6-18.7178.1-63.2-30.8000113.2E324 R325 K329E324-N327 WeakPolarHBondContact O-CB 3.45Å; E324-N327 PolarHBondContact O-N 3.29Å; R325-N327 PolarHBondContact O-N 3.47Å; N327-K329 PolarHBondContact O-N 3.21Å; N327-K329 VanDerWaalsContact O-N 3.14Å
328A84.8Confident91Very high22 Ų2288.8 Ų88.818%0.18247%0.465CS..  trans-72.7101.8177.600000111.1E324 R325 E333 I334E324-A328 PolarHBondContact O-N 3.47Å; R325-A328 PolarHBondContact O-N 3.17Å; A328-E333 HydrophobicContact CB-CB 3.82Å; A328-I334 HydrophobicContact CB-CG1 4.03Å
329K90.5Very high91Very high183 Ų18391.8 Ų91.880%0.79649%0.488SS*.  trans-103-30.2-175.8-68.1179.5-176.3178.10112.7N327 E333N327-K329 PolarHBondContact O-N 3.21Å; N327-K329 VanDerWaalsContact O-N 3.14Å; K329-E333 PolarHBondContact N-OE2 2.9Å
330T91.5Very high90.9Very high72 Ų7292.6 Ų92.644%0.44248%0.484SS..SBendtrans-91.6154.9179.469.70000111.4G332 E333 I334T330-G332 PolarHBondContact O-N 3.04Å; T330-E333 PolarHBondContact N-OE2 3.34Å; T330-E333 PolarHBondContact O-N 2.71Å; T330-E333 WeakPolarHBondContact OG1-CB 3.24Å; T330-E333 VanDerWaalsContact OG1-CD 3.24Å; T330-E333 WeakPolarHBondContact OG1-CG 3.32Å; T330-E333 PolarHBondContact OG1-N 2.76Å; T330-E333 VanDerWaalsContact OG1-N 3.15Å; T330-E333 PolarHBondContact OG1-OE2 2.93Å; T330-I334 VanDerWaalsContact O-CG1 3.28Å; T330-I334 WeakPolarHBondContact O-CG1 3.31Å; T330-I334 PolarHBondContact O-N 3.03Å
331V89.2Confident90.8Very high126 Ų12692.1 Ų92.176%0.76447%0.474SS*.Hα-helixtrans-57-34.4174.5179.70000111.5K335V331-K335 WeakPolarHBondContact O-CB 3.46Å; V331-K335 PolarHBondContact O-N 2.68Å
332G92.3Very high90.9Very high49 Ų4994.7 Ų94.751%0.50549%0.488SS..Hα-helixtrans-65.6-49.3176.700000112.8T330 I334 K335 Q336T330-G332 PolarHBondContact O-N 3.04Å; G332-I334 VanDerWaalsContact C-N 3.34Å; G332-I334 PolarHBondContact O-N 2.93Å; G332-K335 PolarHBondContact O-N 2.89Å; G332-Q336 PolarHBondContact O-N 3.28Å
333E91.2Very high90.9Very high84 Ų8498.8 Ų98.839%0.39351%0.507SS..Hα-helixtrans-61.8-42175.9-70160.8171.100111.4A328 K329 T330 K335 Q336 F337A328-E333 HydrophobicContact CB-CB 3.82Å; K329-E333 PolarHBondContact N-OE2 2.9Å; T330-E333 PolarHBondContact N-OE2 3.34Å; T330-E333 PolarHBondContact O-N 2.71Å; T330-E333 WeakPolarHBondContact OG1-CB 3.24Å; T330-E333 VanDerWaalsContact OG1-CD 3.24Å; T330-E333 WeakPolarHBondContact OG1-CG 3.32Å; T330-E333 PolarHBondContact OG1-N 2.76Å; T330-E333 VanDerWaalsContact OG1-N 3.15Å; T330-E333 PolarHBondContact OG1-OE2 2.93Å; E333-K335 PolarHBondContact O-N 3.08Å; E333-Q336 PolarHBondContact O-N 3.23Å; E333-F337 WeakPolarHBondContact O-CB 2.92Å; E333-F337 PolarHBondContact O-N 2.98Å
334I90.2Very high91Very high81 Ų8194.1 Ų94.142%0.41549%0.486SS..Hα-helixtrans-61.8-44.9176.7-66.6166.3000110.2A328 T330 G332 Q336 F337 V338A328-I334 HydrophobicContact CB-CG1 4.03Å; T330-I334 VanDerWaalsContact O-CG1 3.28Å; T330-I334 WeakPolarHBondContact O-CG1 3.31Å; T330-I334 PolarHBondContact O-N 3.03Å; G332-I334 VanDerWaalsContact C-N 3.34Å; G332-I334 PolarHBondContact O-N 2.93Å; I334-Q336 VanDerWaalsContact C-N 3.35Å; I334-Q336 PolarHBondContact O-N 2.94Å; I334-F337 PolarHBondContact O-N 3.03Å; I334-V338 HydrophobicContact CG2-CG2 4.3Å; I334-V338 WeakPolarHBondContact O-CB 2.79Å; I334-V338 VanDerWaalsContact O-CG2 3.23Å; I334-V338 WeakPolarHBondContact O-CG2 3.29Å; I334-V338 PolarHBondContact O-N 3.2Å
335K92.5Very high91.3Very high165 Ų16594.4 Ų94.472%0.71749%0.487SS*.Hα-helixtrans-63.1-41.2178-173.3179.5179-178.10111.7V331 G332 E333 V338 S339V331-K335 WeakPolarHBondContact O-CB 3.46Å; V331-K335 PolarHBondContact O-N 2.68Å; G332-K335 PolarHBondContact O-N 2.89Å; E333-K335 PolarHBondContact O-N 3.08Å; K335-V338 PolarHBondContact O-N 3Å; K335-S339 PolarHBondContact O-N 3.42Å
336Q91.9Very high91.6Very high121 Ų12189.3 Ų89.357%0.56548%0.481SS*.Hα-helixtrans-62.7-47.6175.8-177178.3-6.300111.1G332 E333 I334 V338 S339 Q340G332-Q336 PolarHBondContact O-N 3.28Å; E333-Q336 PolarHBondContact O-N 3.23Å; I334-Q336 VanDerWaalsContact C-N 3.35Å; I334-Q336 PolarHBondContact O-N 2.94Å; Q336-V338 PolarHBondContact O-N 3.22Å; Q336-S339 WeakPolarHBondContact O-CB 3.29Å; Q336-S339 PolarHBondContact O-N 3.18Å; Q336-S339 PolarHBondContact O-OG 3.34Å; Q336-Q340 PolarHBondContact O-N 2.94Å
337F92.2Very high92Very high20 Ų2084.4 Ų84.49%0.08846%0.464CS..Hα-helixtrans-59.2-48175.9-179.5-89.5000112R325 E333 I334 S339 Q340 L341 M344R325-F337 HydrophobicContact CB-CD1 4.41Å; R325-F337 HydrophobicContact CB-CD2 4.33Å; R325-F337 HydrophobicContact CB-CE1 3.83Å; R325-F337 HydrophobicContact CB-CE2 3.74Å; R325-F337 HydrophobicContact CB-CZ 3.48Å; R325-F337 VanDerWaalsContact CB-CZ 3.48Å; R325-F337 HydrophobicContact CG-CD1 4.2Å; R325-F337 HydrophobicContact CG-CE1 3.75Å; R325-F337 HydrophobicContact CG-CZ 3.94Å; E333-F337 WeakPolarHBondContact O-CB 2.92Å; E333-F337 PolarHBondContact O-N 2.98Å; I334-F337 PolarHBondContact O-N 3.03Å; F337-S339 PolarHBondContact O-N 2.96Å; F337-Q340 PolarHBondContact O-N 3.49Å; F337-L341 HydrophobicContact CE1-CD1 4.24Å; F337-L341 PolarHBondContact O-N 3.46Å; F337-M344 HydrophobicContact CE2-CE 3.95Å; F337-M344 HydrophobicContact CE2-SD 4.14Å; F337-M344 HydrophobicContact CZ-CE 4.1Å; F337-M344 HydrophobicContact CZ-SD 4.38Å
338V92.7Very high92.4Very high87 Ų8786.3 Ų86.353%0.52746%0.462SS..Hα-helixtrans-58.6-33.7178.1169.60000111.6I334 K335 Q336 Q340 L341I334-V338 HydrophobicContact CG2-CG2 4.3Å; I334-V338 WeakPolarHBondContact O-CB 2.79Å; I334-V338 VanDerWaalsContact O-CG2 3.23Å; I334-V338 WeakPolarHBondContact O-CG2 3.29Å; I334-V338 PolarHBondContact O-N 3.2Å; K335-V338 PolarHBondContact O-N 3Å; Q336-V338 PolarHBondContact O-N 3.22Å; V338-Q340 VanDerWaalsContact C-N 3.34Å; V338-Q340 PolarHBondContact O-N 3.15Å; V338-L341 WeakPolarHBondContact O-CB 3.46Å; V338-L341 PolarHBondContact O-N 2.98Å
339S94.3Very high93Very high86 Ų8686.9 Ų86.960%0.60147%0.47SS*.Hα-helixtrans-69.1-28.3176.777.40000114K335 Q336 F337K335-S339 PolarHBondContact O-N 3.42Å; Q336-S339 WeakPolarHBondContact O-CB 3.29Å; Q336-S339 PolarHBondContact O-N 3.18Å; Q336-S339 PolarHBondContact O-OG 3.34Å; F337-S339 PolarHBondContact O-N 2.96Å
340Q93Very high93.3Very high88 Ų8878.7 Ų78.741%0.41144%0.436SS..Hα-helixtrans-88.8-19.6178.4-66.9-178.8-1600113Q336 F337 V338 P342 H343 M344Q336-Q340 PolarHBondContact O-N 2.94Å; F337-Q340 PolarHBondContact O-N 3.49Å; V338-Q340 VanDerWaalsContact C-N 3.34Å; V338-Q340 PolarHBondContact O-N 3.15Å; Q340-P342 VanDerWaalsContact C-CD 3.42Å; Q340-P342 VanDerWaalsContact C-N 3.35Å; Q340-H343 PolarHBondContact O-N 3.36Å; Q340-M344 HydrophobicContact CB-SD 4.28Å; Q340-M344 PolarHBondContact O-N 3.09Å; Q340-M344 VanDerWaalsContact O-N 3.12Å
341L92.6Very high93.6Very high48 Ų4876.1 Ų76.125%0.25142%0.419SS..Hα-helixtrans-50.1-42.4-176.3-17663.9000114.3F322 F337 V338 H343 M344 Q345F322-L341 HydrophobicContact CE1-CD1 4.01Å; F337-L341 HydrophobicContact CE1-CD1 4.24Å; F337-L341 PolarHBondContact O-N 3.46Å; V338-L341 WeakPolarHBondContact O-CB 3.46Å; V338-L341 PolarHBondContact O-N 2.98Å; L341-H343 VanDerWaalsContact C-N 3.35Å; L341-H343 PolarHBondContact O-N 3.48Å; L341-M344 PolarHBondContact O-N 3.01Å; L341-Q345 HydrophobicContact CD1-CG 4.13Å; L341-Q345 HydrophobicContact CG-CG 4.29Å; L341-Q345 WeakPolarHBondContact O-CB 3.42Å; L341-Q345 VanDerWaalsContact O-CG 3.31Å; L341-Q345 WeakPolarHBondContact O-CG 3.49Å; L341-Q345 PolarHBondContact O-N 3.26Å
342P94.3Very high94Very high80 Ų8072.7 Ų72.752%0.51940%0.404SS..Hα-helixtrans-61.2-40.4178.1-24.135.3000113.3Q340 Q345 A346Q340-P342 VanDerWaalsContact C-CD 3.42Å; Q340-P342 VanDerWaalsContact C-N 3.35Å; P342-Q345 PolarHBondContact O-N 3.34Å; P342-A346 WeakPolarHBondContact O-CB 3.39Å; P342-A346 PolarHBondContact O-N 3.11Å
343H93.1Very high94.2Very high124 Ų12472 Ų7257%0.57439%0.389SS*.Hα-helixtrans-67.4-43.1177.517673.9000111Q340 L341 Q345 A346 A347Q340-H343 PolarHBondContact O-N 3.36Å; L341-H343 VanDerWaalsContact C-N 3.35Å; L341-H343 PolarHBondContact O-N 3.48Å; H343-Q345 VanDerWaalsContact C-N 3.34Å; H343-Q345 PolarHBondContact O-N 2.89Å; H343-A346 PolarHBondContact O-N 3.43Å; H343-A347 WeakPolarHBondContact O-CB 3.32Å; H343-A347 PolarHBondContact O-N 2.95Å
344M93.7Very high94.6Very high17 Ų1768.1 Ų68.18%0.08437%0.371CS..Hα-helixtrans-63.3-38.8176.1-63169.262.400112.5A321 F322 F337 Q340 L341 A347 R348A321-M344 HydrophobicContact CB-CE 3.81Å; A321-M344 WeakPolarHBondContact O-CE 3.37Å; F322-M344 HydrophobicContact CB-CE 4.27Å; F322-M344 HydrophobicContact CD1-CE 4.02Å; F322-M344 HydrophobicContact CD2-CE 3.79Å; F322-M344 HydrophobicContact CE1-CE 4.29Å; F322-M344 HydrophobicContact CE2-CB 3.84Å; F322-M344 HydrophobicContact CE2-CE 4.06Å; F322-M344 HydrophobicContact CG-CE 3.76Å; F322-M344 HydrophobicContact CZ-CB 3.8Å; F322-M344 HydrophobicContact CZ-CE 4.31Å; F337-M344 HydrophobicContact CE2-CE 3.95Å; F337-M344 HydrophobicContact CE2-SD 4.14Å; F337-M344 HydrophobicContact CZ-CE 4.1Å; F337-M344 HydrophobicContact CZ-SD 4.38Å; Q340-M344 HydrophobicContact CB-SD 4.28Å; Q340-M344 PolarHBondContact O-N 3.09Å; Q340-M344 VanDerWaalsContact O-N 3.12Å; L341-M344 PolarHBondContact O-N 3.01Å; M344-A347 PolarHBondContact O-N 3.46Å; M344-R348 WeakPolarHBondContact O-CB 3.39Å; M344-R348 PolarHBondContact O-N 2.9Å
345Q95.3Very high94.9Very high113 Ų11366.7 Ų66.753%0.52837%0.366SS..Hα-helixtrans-65.7-43174.9-76177.2-18.300111.8F322 L341 P342 H343 R348 G349F322-Q345 HydrophobicContact CZ-CG 4.44Å; L341-Q345 HydrophobicContact CD1-CG 4.13Å; L341-Q345 HydrophobicContact CG-CG 4.29Å; L341-Q345 WeakPolarHBondContact O-CB 3.42Å; L341-Q345 VanDerWaalsContact O-CG 3.31Å; L341-Q345 WeakPolarHBondContact O-CG 3.49Å; L341-Q345 PolarHBondContact O-N 3.26Å; P342-Q345 PolarHBondContact O-N 3.34Å; H343-Q345 VanDerWaalsContact C-N 3.34Å; H343-Q345 PolarHBondContact O-N 2.89Å; Q345-R348 PolarHBondContact O-N 2.82Å; Q345-G349 PolarHBondContact O-N 3.32Å
346A94.2Very high95.2Very high63 Ų6359.6 Ų59.652%0.52134%0.337SS..Hα-helixtrans-61-45.717400000111.3P342 H343 R348 G349 S350P342-A346 WeakPolarHBondContact O-CB 3.39Å; P342-A346 PolarHBondContact O-N 3.11Å; H343-A346 PolarHBondContact O-N 3.43Å; A346-R348 PolarHBondContact O-N 2.84Å; A346-G349 PolarHBondContact O-N 3.45Å; A346-S350 WeakPolarHBondContact O-CB 3.41Å; A346-S350 PolarHBondContact O-N 3.21Å
347A95.7Very high95.5Very high29 Ų2953.8 Ų53.824%0.2431%0.31CS..Hα-helixtrans-61.8-40176.300000112.5I318 H343 M344 S350 L351I318-A347 HydrophobicContact CD1-CB 4.06Å; I318-A347 HydrophobicContact CG1-CB 4.38Å; H343-A347 WeakPolarHBondContact O-CB 3.32Å; H343-A347 PolarHBondContact O-N 2.95Å; M344-A347 PolarHBondContact O-N 3.46Å; A347-S350 WeakPolarHBondContact O-CB 3.49Å; A347-S350 PolarHBondContact O-N 3.43Å; A347-L351 WeakPolarHBondContact O-CB 3.41Å; A347-L351 PolarHBondContact O-N 3.1Å
348R96.2Very high95.8Very high155 Ų15553.5 Ų53.559%0.58531%0.311SS*.Hα-helixtrans-65.4-41.9174.5-176177.1177.6169.70.8112.2I318 F322 M344 Q345 A346 A352I318-R348 HydrophobicContact CG2-CB 4.19Å; F322-R348 HydrophobicContact CE2-CB 4.13Å; F322-R348 HydrophobicContact CZ-CB 4.44Å; M344-R348 WeakPolarHBondContact O-CB 3.39Å; M344-R348 PolarHBondContact O-N 2.9Å; Q345-R348 PolarHBondContact O-N 2.82Å; A346-R348 PolarHBondContact O-N 2.84Å; R348-A352 WeakPolarHBondContact O-CB 3.39Å; R348-A352 PolarHBondContact O-N 3.23Å
349G96.1Very high96.1Very high34 Ų3453.6 Ų53.635%0.35131%0.306SS..Hα-helixtrans-64.8-43175.700000112.4Q345 A346 A352 N353Q345-G349 PolarHBondContact O-N 3.32Å; A346-G349 PolarHBondContact O-N 3.45Å; G349-A352 PolarHBondContact O-N 2.97Å; G349-N353 PolarHBondContact O-N 3Å; G349-N353 PolarHBondContact O-ND2 3.4Å
350S96.9Very high96.3Very high10 Ų1050 Ų507%0.0728%0.28CS..Hα-helixtrans-56.1-53.2172.6177.20000111.8E293 L295 A346 A347 A352 N353 H354E293-S350 VanDerWaalsContact CD-OG 3.27Å; E293-S350 WeakPolarHBondContact CG-OG 3.2Å; E293-S350 VanDerWaalsContact OE1-CA 3.27Å; E293-S350 WeakPolarHBondContact OE1-CA 3.35Å; E293-S350 WeakPolarHBondContact OE1-CB 3.29Å; E293-S350 PolarHBondContact OE1-OG 3.02Å; L295-S350 WeakPolarHBondContact CB-OG 3.41Å; A346-S350 WeakPolarHBondContact O-CB 3.41Å; A346-S350 PolarHBondContact O-N 3.21Å; A347-S350 WeakPolarHBondContact O-CB 3.49Å; A347-S350 PolarHBondContact O-N 3.43Å; S350-A352 VanDerWaalsContact C-N 3.3Å; S350-A352 PolarHBondContact O-N 3.28Å; S350-N353 PolarHBondContact O-N 3.41Å; S350-H354 PolarHBondContact O-CD2 3.19Å; S350-H354 VanDerWaalsContact O-CD2 3.27Å; S350-H354 PolarHBondContact O-N 3.48Å
351L98Very high96.5Very high19 Ų1945.8 Ų45.810%0.09926%0.26CS..Hα-helixtrans-57.8-42.4177.5178.968.3000112.1L295 L311 K314 A315 I318 A347 T355L295-L351 HydrophobicContact CD2-CB 4.15Å; L295-L351 HydrophobicContact CD2-CD1 4.06Å; L311-L351 HydrophobicContact CB-CD1 4.39Å; L311-L351 HydrophobicContact CD2-CD1 3.99Å; K314-L351 HydrophobicContact CB-CD1 4.28Å; A315-L351 VanDerWaalsContact CA-CD2 3.46Å; A315-L351 HydrophobicContact CB-CD2 3.72Å; I318-L351 HydrophobicContact CD1-CB 4.03Å; I318-L351 HydrophobicContact CD1-CD2 3.9Å; A347-L351 WeakPolarHBondContact O-CB 3.41Å; A347-L351 PolarHBondContact O-N 3.1Å; L351-T355 VanDerWaalsContact O-CB 3.3Å; L351-T355 WeakPolarHBondContact O-CB 3.44Å; L351-T355 PolarHBondContact O-N 3.46Å; L351-T355 PolarHBondContact O-OG1 3.31Å
352A97.1Very high96.8Very high54 Ų5449.4 Ų49.445%0.44627%0.274SS..Hα-helixtrans-61.7-48.2176.800000111.4R348 G349 S350 H354 T355 S356R348-A352 WeakPolarHBondContact O-CB 3.39Å; R348-A352 PolarHBondContact O-N 3.23Å; G349-A352 PolarHBondContact O-N 2.97Å; S350-A352 VanDerWaalsContact C-N 3.3Å; S350-A352 PolarHBondContact O-N 3.28Å; A352-H354 PolarHBondContact O-N 3.46Å; A352-T355 PolarHBondContact O-N 3.14Å; A352-S356 PolarHBondContact O-N 3.03Å; A352-S356 PolarHBondContact O-OG 2.98Å
353N97.6Very high97Very high35 Ų3550.1 Ų50.119%0.18727%0.273CS..Hα-helixtrans-58.9-49.5177.8-68.2-32000111.6F268 L287 G349 S350 T355 S356 I357F268-N353 HydrophobicContact CE1-CB 4.29Å; L287-N353 HydrophobicContact CD1-CB 4.06Å; G349-N353 PolarHBondContact O-N 3Å; G349-N353 PolarHBondContact O-ND2 3.4Å; S350-N353 PolarHBondContact O-N 3.41Å; N353-T355 VanDerWaalsContact C-N 3.33Å; N353-T355 PolarHBondContact O-N 3.45Å; N353-S356 PolarHBondContact O-N 3.04Å; N353-I357 WeakPolarHBondContact O-CG1 3.25Å; N353-I357 PolarHBondContact O-N 2.86Å
354H98.3Very high97.2Very high1 Ų146.5 Ų46.51%0.00526%0.26CS..Hα-helixtrans-70.5-27.8-178.1-74-61.8000113.7Y246 E293 L295 Y296 I299 L311 S350 A352 A358Y246-H354 AromaticContact CE1-ND1 3.72Å; Y246-H354 AromaticContact CZ-ND1 3.65Å; Y246-H354 PolarHBondContact OH-ND1 2.88Å; E293-H354 VanDerWaalsContact CD-NE2 3.3Å; E293-H354 IonicContact OE1-CD2 2.86Å; E293-H354 IonicContact OE1-NE2 3.6Å; E293-H354 PolarHBondContact OE1-NE2 3.35Å; E293-H354 IonicContact OE2-CE1 3.66Å; E293-H354 IonicContact OE2-NE2 3.63Å; E293-H354 PolarHBondContact OE2-NE2 3.41Å; E293-H354 VanDerWaalsContact OE2-NE2 3.15Å; L295-H354 HydrophobicContact CD2-CB 4.16Å; Y296-H354 AromaticContact CD2-CE1 3.41Å; Y296-H354 VanDerWaalsContact CD2-CE1 3.41Å; Y296-H354 WeakPolarHBondContact CD2-CE1 3.33Å; I299-H354 HydrophobicContact CD1-CB 4.04Å; L311-H354 HydrophobicContact CD2-CB 4.08Å; S350-H354 PolarHBondContact O-CD2 3.19Å; S350-H354 VanDerWaalsContact O-CD2 3.27Å; S350-H354 PolarHBondContact O-N 3.48Å; A352-H354 PolarHBondContact O-N 3.46Å; H354-A358 VanDerWaalsContact O-CB 3.31Å; H354-A358 WeakPolarHBondContact O-CB 3.32Å; H354-A358 PolarHBondContact O-N 3.18Å
355T98.2Very high97.4Very high51 Ų5147.1 Ų47.131%0.31327%0.265SS..Hα-helixtrans-65-47.9169.7-570000110.3L351 A352 N353 I357 A358 E359L351-T355 VanDerWaalsContact O-CB 3.3Å; L351-T355 WeakPolarHBondContact O-CB 3.44Å; L351-T355 PolarHBondContact O-N 3.46Å; L351-T355 PolarHBondContact O-OG1 3.31Å; A352-T355 PolarHBondContact O-N 3.14Å; N353-T355 VanDerWaalsContact C-N 3.33Å; N353-T355 PolarHBondContact O-N 3.45Å; T355-I357 PolarHBondContact O-N 3.19Å; T355-A358 PolarHBondContact O-N 3.14Å; T355-E359 WeakPolarHBondContact O-CG 3.34Å; T355-E359 PolarHBondContact O-N 3.49Å
356S98.1Very high97.5Very high16 Ų1646.3 Ų46.311%0.11227%0.268CS..Hα-helixtrans-61.8-40.4177-60.20000112.6K267 A352 N353 E359 L360K267-S356 WeakPolarHBondContact O-CB 3.31Å; K267-S356 PolarHBondContact O-OG 2.96Å; A352-S356 PolarHBondContact O-N 3.03Å; A352-S356 PolarHBondContact O-OG 2.98Å; N353-S356 PolarHBondContact O-N 3.04Å; S356-E359 PolarHBondContact O-N 3.06Å; S356-L360 WeakPolarHBondContact O-CG 3.21Å; S356-L360 PolarHBondContact O-N 2.96Å
357I98.5Very high97.7Very high0 Ų045.3 Ų45.30%026%0.257CS..Hα-helixtrans-63.8-45.7174-64.3166.2000110.7Y246 I250 L263 F268 L287 N353 T355 E359 L360 I361Y246-I357 HydrophobicContact CE2-CG2 4.11Å; Y246-I357 WeakPolarHBondContact OH-CB 3.49Å; Y246-I357 WeakPolarHBondContact OH-CG2 3.15Å; I250-I357 HydrophobicContact CD1-CG2 3.84Å; I250-I357 HydrophobicContact CG1-CG2 3.79Å; L263-I357 HydrophobicContact CD1-CD1 3.95Å; L263-I357 HydrophobicContact CD1-CG1 3.66Å; F268-I357 HydrophobicContact CE1-CG1 4.19Å; F268-I357 HydrophobicContact CZ-CG1 3.79Å; L287-I357 HydrophobicContact CD1-CD1 3.87Å; N353-I357 WeakPolarHBondContact O-CG1 3.25Å; N353-I357 PolarHBondContact O-N 2.86Å; T355-I357 PolarHBondContact O-N 3.19Å; I357-E359 VanDerWaalsContact C-N 3.27Å; I357-E359 PolarHBondContact O-N 3.45Å; I357-L360 WeakPolarHBondContact O-CB 3.37Å; I357-L360 PolarHBondContact O-N 3.44Å; I357-I361 HydrophobicContact CG2-CD1 3.78Å; I357-I361 HydrophobicContact CG2-CG1 4.22Å; I357-I361 WeakPolarHBondContact O-CG1 3.25Å; I357-I361 PolarHBondContact O-N 3.2Å
358A98.5Very high97.7Very high14 Ų1451.3 Ų51.312%0.11628%0.28CS..Hα-helixtrans-61-37.8177.400000111.7Y246 F304 L311 H354 T355 I361 K362Y246-A358 HydrophobicContact CE2-CB 4.5Å; F304-A358 HydrophobicContact CE2-CB 4.17Å; F304-A358 HydrophobicContact CZ-CB 4.37Å; F304-A358 WeakPolarHBondContact CZ-O 3.46Å; L311-A358 HydrophobicContact CD1-CB 3.86Å; H354-A358 VanDerWaalsContact O-CB 3.31Å; H354-A358 WeakPolarHBondContact O-CB 3.32Å; H354-A358 PolarHBondContact O-N 3.18Å; T355-A358 PolarHBondContact O-N 3.14Å; A358-I361 PolarHBondContact O-N 2.48Å; A358-K362 VanDerWaalsContact O-CB 3.24Å; A358-K362 WeakPolarHBondContact O-CB 3.43Å; A358-K362 PolarHBondContact O-N 3.06Å
359E98.1Very high97.7Very high88 Ų8847.4 Ų47.441%0.41127%0.271SS..Hα-helixtrans-64.1-40.4172.1-70.2177175.600112.1K267 T355 S356 I357 K362 D363K267-E359 HydrophobicContact CD-CB 3.92Å; K267-E359 PolarHBondContact NZ-O 3.35Å; T355-E359 WeakPolarHBondContact O-CG 3.34Å; T355-E359 PolarHBondContact O-N 3.49Å; S356-E359 PolarHBondContact O-N 3.06Å; I357-E359 VanDerWaalsContact C-N 3.27Å; I357-E359 PolarHBondContact O-N 3.45Å; E359-K362 PolarHBondContact O-N 3.31Å; E359-D363 VanDerWaalsContact O-CG 3.29Å; E359-D363 PolarHBondContact O-N 3.07Å; E359-D363 VanDerWaalsContact O-N 3.16Å
360L98.2Very high97.8Very high11 Ų1146.8 Ų46.86%0.05826%0.259CS..Hα-helixtrans-63.6-42.5175.3-78.2177.2000112.5Y254 L263 P264 K267 F268 S356 I357Y254-L360 HydrophobicContact CE2-CB 4.25Å; Y254-L360 WeakPolarHBondContact OH-CB 3.4Å; L263-L360 HydrophobicContact CB-CD1 4.3Å; L263-L360 HydrophobicContact CD2-CD1 4.1Å; P264-L360 HydrophobicContact CG-CD2 4.43Å; K267-L360 HydrophobicContact CD-CD2 3.78Å; K267-L360 HydrophobicContact CD-CG 3.9Å; K267-L360 HydrophobicContact CG-CD2 4.03Å; K267-L360 HydrophobicContact CG-CG 4.35Å; F268-L360 HydrophobicContact CE2-CD1 3.85Å; F268-L360 HydrophobicContact CZ-CD1 4.26Å; S356-L360 WeakPolarHBondContact O-CG 3.21Å; S356-L360 PolarHBondContact O-N 2.96Å; I357-L360 WeakPolarHBondContact O-CB 3.37Å; I357-L360 PolarHBondContact O-N 3.44Å
361I98.6Very high97.9Very high0 Ų052.6 Ų52.60%028%0.283CS..Hα-helixtrans-65-45.2176.4-65.4168.6000109.7Y246 L249 I250 I253 F304 I357 A358 D363 V364 T365Y246-I361 HydrophobicContact CD2-CD1 3.94Å; Y246-I361 HydrophobicContact CE2-CD1 3.8Å; L249-I361 HydrophobicContact CB-CD1 4.31Å; L249-I361 HydrophobicContact CB-CG2 3.91Å; L249-I361 HydrophobicContact CD1-CG2 3.67Å; L249-I361 HydrophobicContact CG-CG2 4.34Å; I250-I361 HydrophobicContact CG1-CD1 3.79Å; I253-I361 HydrophobicContact CD1-CB 4.4Å; I253-I361 HydrophobicContact CD1-CG1 4.28Å; I253-I361 HydrophobicContact CD1-CG2 4.18Å; F304-I361 HydrophobicContact CD1-CG2 3.99Å; F304-I361 HydrophobicContact CD2-CB 4.49Å; F304-I361 HydrophobicContact CD2-CD1 4.31Å; F304-I361 HydrophobicContact CD2-CG2 3.86Å; F304-I361 HydrophobicContact CE1-CB 4.31Å; F304-I361 HydrophobicContact CE1-CG2 3.68Å; F304-I361 HydrophobicContact CE2-CB 3.76Å; F304-I361 HydrophobicContact CE2-CD1 3.91Å; F304-I361 HydrophobicContact CE2-CG1 4.46Å; F304-I361 HydrophobicContact CE2-CG2 3.56Å; F304-I361 HydrophobicContact CG-CG2 4.08Å; F304-I361 HydrophobicContact CZ-CB 3.66Å; F304-I361 HydrophobicContact CZ-CG2 3.47Å; F304-I361 VanDerWaalsContact CZ-CG2 3.47Å; I357-I361 HydrophobicContact CG2-CD1 3.78Å; I357-I361 HydrophobicContact CG2-CG1 4.22Å; I357-I361 WeakPolarHBondContact O-CG1 3.25Å; I357-I361 PolarHBondContact O-N 3.2Å; A358-I361 PolarHBondContact O-N 2.48Å; I361-D363 VanDerWaalsContact C-N 3.29Å; I361-D363 PolarHBondContact O-N 3.29Å; I361-V364 PolarHBondContact O-N 3.29Å; I361-T365 HydrophobicContact CG2-CG2 3.72Å; I361-T365 WeakPolarHBondContact O-CG2 3.48Å; I361-T365 PolarHBondContact O-N 3.4Å; I361-T365 PolarHBondContact O-OG1 3.37Å
362K98.2Very high97.9Very high123 Ų12354.5 Ų54.554%0.53529%0.293SS..Hα-helixtrans-58.7-39.1-179.1-173.8178.4179-178.10112.7F304 A358 E359 V364 T365 T366F304-K362 HydrophobicContact CE1-CB 4.33Å; F304-K362 HydrophobicContact CZ-CB 4.33Å; A358-K362 VanDerWaalsContact O-CB 3.24Å; A358-K362 WeakPolarHBondContact O-CB 3.43Å; A358-K362 PolarHBondContact O-N 3.06Å; E359-K362 PolarHBondContact O-N 3.31Å; K362-V364 PolarHBondContact O-N 3.11Å; K362-T365 PolarHBondContact O-N 3.3Å; K362-T366 HydrophobicContact CG-CG2 3.82Å; K362-T366 WeakPolarHBondContact O-CB 3.42Å; K362-T366 WeakPolarHBondContact O-CG2 3.46Å; K362-T366 PolarHBondContact O-N 2.78Å; K362-T366 PolarHBondContact O-OG1 2.69Å
363D97.7Very high97.9Very high95 Ų9553.3 Ų53.351%0.50828%0.278SS..Hα-helixtrans-57.6-35.8176.6-68.6-5.8000111.7K267 E359 I361K267-D363 WeakPolarHBondContact CE-OD2 3.34Å; K267-D363 IonicContact NZ-OD1 2.76Å; K267-D363 PolarHBondContact NZ-OD1 2.86Å; K267-D363 IonicContact NZ-OD2 3.48Å; K267-D363 PolarHBondContact NZ-OD2 2.94Å; E359-D363 VanDerWaalsContact O-CG 3.29Å; E359-D363 PolarHBondContact O-N 3.07Å; E359-D363 VanDerWaalsContact O-N 3.16Å; I361-D363 VanDerWaalsContact C-N 3.29Å; I361-D363 PolarHBondContact O-N 3.29Å
364V98Very high98Very high48 Ų4852.8 Ų52.829%0.29128%0.275SS..Hα-helixtrans-80.2-49.9176.9-179.30000110.9I253 I361 K362 T366 S367 F370I253-V364 HydrophobicContact CD1-CB 3.89Å; I253-V364 HydrophobicContact CD1-CG1 4.07Å; I253-V364 HydrophobicContact CD1-CG2 4.08Å; I253-V364 HydrophobicContact CG1-CG1 4.25Å; I253-V364 HydrophobicContact CG2-CG2 4.01Å; I361-V364 PolarHBondContact O-N 3.29Å; K362-V364 PolarHBondContact O-N 3.11Å; V364-T366 PolarHBondContact O-N 2.84Å; V364-S367 WeakPolarHBondContact O-CB 3.41Å; V364-S367 PolarHBondContact O-N 3.4Å; V364-S367 PolarHBondContact O-OG 3.27Å; V364-F370 HydrophobicContact CG1-CD2 4.06Å; V364-F370 WeakPolarHBondContact O-CB 3.35Å
365T98.1Very high98Very high31 Ų3154.7 Ų54.719%0.1929%0.287CS..Hα-helixtrans-72.5-11.7-17264.40000114.2L249 I361 K362 F370L249-T365 HydrophobicContact CD1-CG2 4.04Å; L249-T365 HydrophobicContact CD2-CG2 4.09Å; I361-T365 HydrophobicContact CG2-CG2 3.72Å; I361-T365 WeakPolarHBondContact O-CG2 3.48Å; I361-T365 PolarHBondContact O-N 3.4Å; I361-T365 PolarHBondContact O-OG1 3.37Å; K362-T365 PolarHBondContact O-N 3.3Å; T365-F370 HydrophobicContact CG2-CD1 4.49Å; T365-F370 HydrophobicContact CG2-CE1 4.03Å; T365-F370 HydrophobicContact CG2-CE2 4.12Å; T365-F370 HydrophobicContact CG2-CZ 3.84Å
366T97.5Very high98Very high96 Ų9652.8 Ų52.859%0.58928%0.275SS*.THydrogen-bonded Turntrans-99.30.1173.558.70000113.2K362 V364K362-T366 HydrophobicContact CG-CG2 3.82Å; K362-T366 WeakPolarHBondContact O-CB 3.42Å; K362-T366 WeakPolarHBondContact O-CG2 3.46Å; K362-T366 PolarHBondContact O-N 2.78Å; K362-T366 PolarHBondContact O-OG1 2.69Å; V364-T366 PolarHBondContact O-N 2.84Å
367S97.9Very high98Very high42 Ų4252.1 Ų52.129%0.29427%0.27SS..SBendtrans-74.7149.1174.671.70000111.7V364 D369 F370 F371V364-S367 WeakPolarHBondContact O-CB 3.41Å; V364-S367 PolarHBondContact O-N 3.4Å; V364-S367 PolarHBondContact O-OG 3.27Å; S367-D369 VanDerWaalsContact C-N 3.32Å; S367-D369 PolarHBondContact O-N 3.15Å; S367-F370 PolarHBondContact O-N 3.15Å; S367-F370 WeakPolarHBondContact OG-CB 3.44Å; S367-F370 PolarHBondContact OG-N 3.39Å; S367-F371 PolarHBondContact O-N 2.96Å; S367-F371 VanDerWaalsContact O-N 3.16Å
368E97.2Very high98Very high155 Ų15554.4 Ų54.472%0.72428%0.281SS*.Hα-helixtrans-59.3-42.8173.8-173.3174.4-167.600111.1F370 F371 D372E368-F370 VanDerWaalsContact C-N 3.32Å; E368-F370 PolarHBondContact O-N 3.08Å; E368-F371 PolarHBondContact O-N 3.25Å; E368-F371 VanDerWaalsContact O-N 3.1Å; E368-D372 PolarHBondContact O-N 2.96Å
369D96.1Very high97.9Very high72 Ų7256.9 Ų56.939%0.38529%0.29SS..Hα-helixtrans-57.6-42.6178.8-171.469.1000113S367 K373 Y392 H401 K405S367-D369 VanDerWaalsContact C-N 3.32Å; S367-D369 PolarHBondContact O-N 3.15Å; D369-K373 VanDerWaalsContact O-CB 3.31Å; D369-K373 WeakPolarHBondContact O-CB 3.35Å; D369-K373 PolarHBondContact O-N 3.33Å; D369-Y392 PolarHBondContact O-OH 2.98Å; D369-H401 IonicContact OD1-CE1 3.27Å; D369-H401 PolarHBondContact OD1-CE1 3.47Å; D369-H401 IonicContact OD1-ND1 2.78Å; D369-K405 IonicContact OD1-NZ 2.93Å; D369-K405 PolarHBondContact OD1-NZ 3.43Å; D369-K405 IonicContact OD2-NZ 3.55Å; D369-K405 PolarHBondContact OD2-NZ 2.96Å
370F98Very high97.9Very high22 Ų2252.7 Ų52.710%0.09627%0.27CS..Hα-helixtrans-66.7-44.4176.9-178.6-87.9000111.4T242 L244 L249 V364 T365 S367 E368 L374T242-F370 HydrophobicContact CG2-CE2 3.86Å; T242-F370 HydrophobicContact CG2-CZ 4.06Å; L244-F370 HydrophobicContact CD2-CZ 3.97Å; L249-F370 HydrophobicContact CD2-CE2 4.18Å; L249-F370 HydrophobicContact CD2-CZ 4.09Å; V364-F370 HydrophobicContact CG1-CD2 4.06Å; V364-F370 WeakPolarHBondContact O-CB 3.35Å; T365-F370 HydrophobicContact CG2-CD1 4.49Å; T365-F370 HydrophobicContact CG2-CE1 4.03Å; T365-F370 HydrophobicContact CG2-CE2 4.12Å; T365-F370 HydrophobicContact CG2-CZ 3.84Å; S367-F370 PolarHBondContact O-N 3.15Å; S367-F370 WeakPolarHBondContact OG-CB 3.44Å; S367-F370 PolarHBondContact OG-N 3.39Å; E368-F370 VanDerWaalsContact C-N 3.32Å; E368-F370 PolarHBondContact O-N 3.08Å; F370-L374 HydrophobicContact CE1-CD2 3.87Å; F370-L374 HydrophobicContact CZ-CD2 4.45Å; F370-L374 VanDerWaalsContact O-CB 3.29Å; F370-L374 WeakPolarHBondContact O-CB 2.76Å; F370-L374 PolarHBondContact O-N 3.28Å
371F97.6Very high97.9Very high131 Ų13152.3 Ų52.358%0.57527%0.268SS*.Hα-helixtrans-64.8-46.3-177.7-177.4-94.3000112.4S367 E368 L374 T375S367-F371 PolarHBondContact O-N 2.96Å; S367-F371 VanDerWaalsContact O-N 3.16Å; E368-F371 PolarHBondContact O-N 3.25Å; E368-F371 VanDerWaalsContact O-N 3.1Å; F371-L374 PolarHBondContact O-N 3.25Å; F371-T375 WeakPolarHBondContact O-CB 3.49Å; F371-T375 PolarHBondContact O-N 3.32Å; F371-T375 PolarHBondContact O-OG1 3.43Å
372D98.2Very high97.8Very high60 Ų6053 Ų5332%0.32127%0.273SS..Hα-helixtrans-63.9-45179.3-69.2-14.1000111E368 L374 T375 V376 Y392E368-D372 PolarHBondContact O-N 2.96Å; D372-L374 PolarHBondContact O-N 2.8Å; D372-T375 PolarHBondContact O-N 2.89Å; D372-V376 WeakPolarHBondContact O-CG2 3.41Å; D372-V376 PolarHBondContact O-N 3.39Å; D372-V376 VanDerWaalsContact O-N 3.13Å; D372-Y392 HydrophobicContact CB-CD2 4.12Å; D372-Y392 HydrophobicContact CB-CE2 3.54Å
373K98.2Very high97.6Very high28 Ų2848.9 Ų48.912%0.12227%0.265CS..Hα-helixtrans-58.2-49.9175.5-168.1-162.871.4158.30111T242 D369 T375 V376 E377 Y392 K405 L409T242-K373 VanDerWaalsContact OG1-CE 3.23Å; T242-K373 WeakPolarHBondContact OG1-CE 3.38Å; T242-K373 PolarHBondContact OG1-NZ 3.48Å; D369-K373 VanDerWaalsContact O-CB 3.31Å; D369-K373 WeakPolarHBondContact O-CB 3.35Å; D369-K373 PolarHBondContact O-N 3.33Å; K373-T375 VanDerWaalsContact C-N 3.3Å; K373-T375 PolarHBondContact O-N 3.44Å; K373-V376 PolarHBondContact O-N 3.5Å; K373-E377 WeakPolarHBondContact CD-OE1 3.38Å; K373-E377 WeakPolarHBondContact CE-OE1 3.43Å; K373-E377 IonicContact NZ-OE1 3.77Å; K373-E377 PolarHBondContact NZ-OE1 2.87Å; K373-E377 WeakPolarHBondContact O-CG 2.94Å; K373-E377 PolarHBondContact O-N 3.04Å; K373-Y392 HydrophobicContact CB-CE1 4.29Å; K373-Y392 WeakPolarHBondContact CB-OH 3.37Å; K373-Y392 HydrophobicContact CG-CE1 4.46Å; K373-Y392 PolarHBondContact N-OH 3.21Å; K373-K405 HydrophobicContact CD-CG 4.34Å; K373-L409 HydrophobicContact CG-CD1 4.43Å; K373-L409 HydrophobicContact CG-CD2 4.15Å
374L98.2Very high97.5Very high24 Ų2448.3 Ų48.313%0.12626%0.261CS..Hα-helixtrans-62.9-38.6-177.2-179.561.2000111.7L244 F370 F371 D372 E377 Q378L244-L374 HydrophobicContact CD1-CD1 4.21Å; L244-L374 HydrophobicContact CD1-CD2 4.2Å; L244-L374 HydrophobicContact CD2-CD1 4.21Å; L244-L374 HydrophobicContact CD2-CD2 4.15Å; F370-L374 HydrophobicContact CE1-CD2 3.87Å; F370-L374 HydrophobicContact CZ-CD2 4.45Å; F370-L374 VanDerWaalsContact O-CB 3.29Å; F370-L374 WeakPolarHBondContact O-CB 2.76Å; F370-L374 PolarHBondContact O-N 3.28Å; F371-L374 PolarHBondContact O-N 3.25Å; D372-L374 PolarHBondContact O-N 2.8Å; L374-E377 PolarHBondContact O-N 3.44Å; L374-Q378 HydrophobicContact CD1-CG 4.33Å; L374-Q378 WeakPolarHBondContact O-CB 3.33Å; L374-Q378 WeakPolarHBondContact O-CG 3.14Å; L374-Q378 PolarHBondContact O-N 2.85Å
375T98.1Very high97.3Very high42 Ų4250.7 Ų50.726%0.25827%0.273SS..Hα-helixtrans-61.3-48.8177.3-64.40000110.7F371 D372 K373 E377 Q378 E379F371-T375 WeakPolarHBondContact O-CB 3.49Å; F371-T375 PolarHBondContact O-N 3.32Å; F371-T375 PolarHBondContact O-OG1 3.43Å; D372-T375 PolarHBondContact O-N 2.89Å; K373-T375 VanDerWaalsContact C-N 3.3Å; K373-T375 PolarHBondContact O-N 3.44Å; T375-E377 VanDerWaalsContact C-N 3.33Å; T375-E377 PolarHBondContact O-N 2.7Å; T375-Q378 PolarHBondContact O-N 3.17Å; T375-E379 HydrophobicContact CG2-CG 4.5Å; T375-E379 WeakPolarHBondContact O-CG 3.44Å; T375-E379 PolarHBondContact O-N 3Å
376V98.5Very high97.2Very high10 Ų1049.8 Ų49.86%0.06127%0.267CS..Hα-helixtrans-61.7-40.7176.6173.20000111.7D372 K373 Q378 E379 F380 Y392 L409D372-V376 WeakPolarHBondContact O-CG2 3.41Å; D372-V376 PolarHBondContact O-N 3.39Å; D372-V376 VanDerWaalsContact O-N 3.13Å; K373-V376 PolarHBondContact O-N 3.5Å; V376-Q378 VanDerWaalsContact C-N 3.34Å; V376-Q378 PolarHBondContact O-N 3.25Å; V376-E379 PolarHBondContact O-N 3.36Å; V376-F380 HydrophobicContact CG1-CD2 4.02Å; V376-F380 HydrophobicContact CG1-CE1 4.34Å; V376-F380 HydrophobicContact CG1-CE2 3.41Å; V376-F380 VanDerWaalsContact CG1-CE2 3.41Å; V376-F380 HydrophobicContact CG1-CZ 3.61Å; V376-F380 WeakPolarHBondContact O-CD2 3.28Å; V376-F380 WeakPolarHBondContact O-CG 3.3Å; V376-F380 PolarHBondContact O-N 2.98Å; V376-F380 VanDerWaalsContact O-N 3.07Å; V376-Y392 HydrophobicContact CB-CD1 4.34Å; V376-Y392 HydrophobicContact CG2-CD1 3.85Å; V376-Y392 HydrophobicContact CG2-CG 3.95Å; V376-L409 HydrophobicContact CG1-CD2 4.28Å
377E98.5Very high97.1Very high3 Ų347.6 Ų47.61%0.01425%0.252CS..Hα-helixtrans-59.2-45.9175.2-69.8177.7-171.100111.5T242 K373 L374 T375 F380 M381 L409 L412T242-E377 VanDerWaalsContact CB-OE2 3.25Å; T242-E377 WeakPolarHBondContact CB-OE2 3.35Å; T242-E377 PolarHBondContact N-OE2 3.13Å; T242-E377 VanDerWaalsContact OG1-CD 3.25Å; T242-E377 PolarHBondContact OG1-OE1 3.41Å; T242-E377 VanDerWaalsContact OG1-OE1 3.04Å; T242-E377 PolarHBondContact OG1-OE2 3.15Å; K373-E377 WeakPolarHBondContact CD-OE1 3.38Å; K373-E377 WeakPolarHBondContact CE-OE1 3.43Å; K373-E377 IonicContact NZ-OE1 3.77Å; K373-E377 PolarHBondContact NZ-OE1 2.87Å; K373-E377 WeakPolarHBondContact O-CG 2.94Å; K373-E377 PolarHBondContact O-N 3.04Å; L374-E377 PolarHBondContact O-N 3.44Å; T375-E377 VanDerWaalsContact C-N 3.33Å; T375-E377 PolarHBondContact O-N 2.7Å; E377-F380 PolarHBondContact O-N 2.97Å; E377-M381 HydrophobicContact CB-CE 4.3Å; E377-M381 WeakPolarHBondContact O-CB 3.29Å; E377-M381 WeakPolarHBondContact O-CE 3.44Å; E377-M381 VanDerWaalsContact O-CG 3.3Å; E377-M381 WeakPolarHBondContact O-CG 3.46Å; E377-M381 PolarHBondContact O-N 3.1Å; E377-L409 HydrophobicContact CG-CD2 3.74Å; E377-L412 HydrophobicContact CB-CD2 3.69Å; E377-L412 HydrophobicContact CG-CD2 3.71Å
378Q97.8Very high97Very high48 Ų4851.6 Ų51.622%0.22426%0.264CS..Hα-helixtrans-68-38.9179.6-76.7179.8-15.300113.2L374 T375 V376 M381 S382 W473L374-Q378 HydrophobicContact CD1-CG 4.33Å; L374-Q378 WeakPolarHBondContact O-CB 3.33Å; L374-Q378 WeakPolarHBondContact O-CG 3.14Å; L374-Q378 PolarHBondContact O-N 2.85Å; T375-Q378 PolarHBondContact O-N 3.17Å; V376-Q378 VanDerWaalsContact C-N 3.34Å; V376-Q378 PolarHBondContact O-N 3.25Å; Q378-M381 HydrophobicContact CG-CE 4.1Å; Q378-M381 PolarHBondContact O-N 3.23Å; Q378-S382 WeakPolarHBondContact O-CB 2.98Å; Q378-S382 PolarHBondContact O-N 3.16Å; Q378-S382 PolarHBondContact O-OG 3.11Å; Q378-S382 VanDerWaalsContact O-OG 3.08Å; Q378-W473 HydrophobicContact CB-CH2 3.85Å; Q378-W473 HydrophobicContact CG-CH2 4.09Å
379E97.8Very high97.1Very high66 Ų6646.1 Ų46.131%0.30824%0.241SC..Hα-helixtrans-59-48.8172.5-74.8175.1164.500111T375 V376 M381 S382 G383 I384T375-E379 HydrophobicContact CG2-CG 4.5Å; T375-E379 WeakPolarHBondContact O-CG 3.44Å; T375-E379 PolarHBondContact O-N 3Å; V376-E379 PolarHBondContact O-N 3.36Å; E379-M381 PolarHBondContact O-N 3.17Å; E379-S382 PolarHBondContact O-N 3.21Å; E379-S382 PolarHBondContact O-OG 3.07Å; E379-G383 PolarHBondContact O-N 3.06Å; E379-I384 HydrophobicContact CB-CB 4.16Å; E379-I384 HydrophobicContact CB-CG2 4.49Å; E379-I384 WeakPolarHBondContact O-CB 3.22Å; E379-I384 PolarHBondContact O-N 2.88Å
380F98.2Very high97.2Very high0 Ų043.7 Ų43.70%023%0.228CC..Hα-helixtrans-62.2-45.2176.5-64.8-25.1000112.5V376 E377 S382 G383 T386 N390 I393 L412 Q413 C416V376-F380 HydrophobicContact CG1-CD2 4.02Å; V376-F380 HydrophobicContact CG1-CE1 4.34Å; V376-F380 HydrophobicContact CG1-CE2 3.41Å; V376-F380 VanDerWaalsContact CG1-CE2 3.41Å; V376-F380 HydrophobicContact CG1-CZ 3.61Å; V376-F380 WeakPolarHBondContact O-CD2 3.28Å; V376-F380 WeakPolarHBondContact O-CG 3.3Å; V376-F380 PolarHBondContact O-N 2.98Å; V376-F380 VanDerWaalsContact O-N 3.07Å; E377-F380 PolarHBondContact O-N 2.97Å; F380-S382 VanDerWaalsContact C-N 3.3Å; F380-S382 PolarHBondContact O-N 3.14Å; F380-G383 WeakPolarHBondContact O-CA 3.48Å; F380-G383 PolarHBondContact O-N 2.89Å; F380-T386 HydrophobicContact CB-CG2 4.27Å; F380-T386 HydrophobicContact CD1-CG2 3.96Å; F380-T386 HydrophobicContact CG-CG2 4.47Å; F380-N390 HydrophobicContact CE1-CB 4.41Å; F380-N390 HydrophobicContact CZ-CB 3.85Å; F380-I393 HydrophobicContact CE2-CD1 3.99Å; F380-I393 HydrophobicContact CZ-CD1 4.07Å; F380-L412 HydrophobicContact CB-CD2 4.35Å; F380-L412 HydrophobicContact CB-CG 4.41Å; F380-L412 HydrophobicContact CD2-CD2 4.2Å; F380-L412 HydrophobicContact CD2-CG 4.46Å; F380-Q413 HydrophobicContact CD1-CB 4.47Å; F380-Q413 HydrophobicContact CD1-CG 4.12Å; F380-Q413 HydrophobicContact CD2-CB 3.88Å; F380-Q413 HydrophobicContact CD2-CG 4.38Å; F380-Q413 HydrophobicContact CE1-CB 4.29Å; F380-Q413 HydrophobicContact CE1-CG 3.78Å; F380-Q413 HydrophobicContact CE2-CB 3.67Å; F380-Q413 HydrophobicContact CE2-CG 4.08Å; F380-Q413 HydrophobicContact CG-CB 4.28Å; F380-Q413 HydrophobicContact CG-CG 4.4Å; F380-Q413 HydrophobicContact CZ-CB 3.88Å; F380-Q413 HydrophobicContact CZ-CG 3.76Å; F380-C416 VanDerWaalsContact C-SG 3.53Å; F380-C416 HydrophobicContact CB-CB 4.48Å; F380-C416 WeakPolarHBondContact O-CB 3.39Å; F380-C416 PolarHBondContact O-SG 3.05Å
381M97.5Very high97.2Very high2 Ų248 Ų481%0.0125%0.252CS..Hα-helixtrans-63.2-34178.5-73.2-172.2-69.800112.8L237 A241 E377 Q378 E379 G383 L412 Y463 R467 W473 Y492L237-M381 HydrophobicContact CD1-CG 4.35Å; L237-M381 HydrophobicContact CD2-CG 4.34Å; L237-M381 HydrophobicContact CG-CG 4.46Å; A241-M381 HydrophobicContact CB-CE 4.04Å; A241-M381 HydrophobicContact CB-SD 3.67Å; E377-M381 HydrophobicContact CB-CE 4.3Å; E377-M381 WeakPolarHBondContact O-CB 3.29Å; E377-M381 WeakPolarHBondContact O-CE 3.44Å; E377-M381 VanDerWaalsContact O-CG 3.3Å; E377-M381 WeakPolarHBondContact O-CG 3.46Å; E377-M381 PolarHBondContact O-N 3.1Å; Q378-M381 HydrophobicContact CG-CE 4.1Å; Q378-M381 PolarHBondContact O-N 3.23Å; E379-M381 PolarHBondContact O-N 3.17Å; M381-G383 VanDerWaalsContact C-N 3.28Å; M381-L412 HydrophobicContact CG-CD1 4.37Å; M381-Y463 VanDerWaalsContact O-CE1 3.3Å; M381-Y463 WeakPolarHBondContact O-CE1 3.32Å; M381-Y463 PolarHBondContact O-OH 3.41Å; M381-R467 WeakPolarHBondContact O-CD 3.39Å; M381-W473 HydrophobicContact CB-CE3 4.26Å; M381-W473 HydrophobicContact CB-CZ3 3.88Å; M381-Y492 HydrophobicContact CB-CD2 4.46Å; M381-Y492 HydrophobicContact SD-CD1 4.05Å; M381-Y492 HydrophobicContact SD-CD2 4.24Å; M381-Y492 HydrophobicContact SD-CG 3.78Å
382S96.2Very high97.2Very high16 Ų1643.6 Ų43.611%0.11223%0.232CC..Hα-helixtrans-76.6-16.9173.166.60000112.9Q378 E379 F380 I384 R467Q378-S382 WeakPolarHBondContact O-CB 2.98Å; Q378-S382 PolarHBondContact O-N 3.16Å; Q378-S382 PolarHBondContact O-OG 3.11Å; Q378-S382 VanDerWaalsContact O-OG 3.08Å; E379-S382 PolarHBondContact O-N 3.21Å; E379-S382 PolarHBondContact O-OG 3.07Å; F380-S382 VanDerWaalsContact C-N 3.3Å; F380-S382 PolarHBondContact O-N 3.14Å; S382-I384 WeakPolarHBondContact OG-CD1 3.36Å; S382-I384 WeakPolarHBondContact OG-CG1 3.43Å; S382-R467 PolarHBondContact O-NE 3.13Å; S382-R467 VanDerWaalsContact O-NE 3.16Å; S382-R467 PolarHBondContact O-NH2 3.2Å
383G94.9Very high97.3Very high35 Ų3540.7 Ų40.736%0.36122%0.216SC..THydrogen-bonded Turntrans97.522.4175.900000114.3E379 F380 M381E379-G383 PolarHBondContact O-N 3.06Å; F380-G383 WeakPolarHBondContact O-CA 3.48Å; F380-G383 PolarHBondContact O-N 2.89Å; M381-G383 VanDerWaalsContact C-N 3.28Å
384I96Very high97.3Very high83 Ų8342.4 Ų42.443%0.42623%0.225SC..SBendtrans-90.4136.3179.5-60171.9000109.5E379 S382 T386E379-I384 HydrophobicContact CB-CB 4.16Å; E379-I384 HydrophobicContact CB-CG2 4.49Å; E379-I384 WeakPolarHBondContact O-CB 3.22Å; E379-I384 PolarHBondContact O-N 2.88Å; S382-I384 WeakPolarHBondContact OG-CD1 3.36Å; S382-I384 WeakPolarHBondContact OG-CG1 3.43Å; I384-T386 VanDerWaalsContact C-N 3.25Å; I384-T386 WeakPolarHBondContact O-CG2 3.41Å; I384-T386 PolarHBondContact O-N 3.03Å
385D93.7Very high97.3Very high99 Ų9945 Ų4553%0.52924%0.239SC..SBendtrans46.938.7172.7-67.9-32.2000116.3Q413D385-Q413 PolarHBondContact O-NE2 2.95Å
386T95.3Very high97.3Very high11 Ų1143.1 Ų43.17%0.06723%0.227CC..THydrogen-bonded Turntrans-84.7-5.4-177.861.20000114.6F380 I384 C416 N417F380-T386 HydrophobicContact CB-CG2 4.27Å; F380-T386 HydrophobicContact CD1-CG2 3.96Å; F380-T386 HydrophobicContact CG-CG2 4.47Å; I384-T386 VanDerWaalsContact C-N 3.25Å; I384-T386 WeakPolarHBondContact O-CG2 3.41Å; I384-T386 PolarHBondContact O-N 3.03Å; T386-C416 HydrophobicContact CG2-CB 3.91Å; T386-N417 PolarHBondContact OG1-OD1 2.93Å
387D94.6Very high97.3Very high51 Ų5142.9 Ų42.927%0.27323%0.225SC..THydrogen-bonded Turntrans-108.31.8-168.284.2-49.6000115.7K421D387-K421 IonicContact OD2-NZ 3.56Å; D387-K421 PolarHBondContact OD2-NZ 2.63Å
388K97Very high97.3Very high126 Ų12646.5 Ų46.555%0.54826%0.256SS..SBendtrans-131.1168.2-177.6-65.7170.7-166.3163.30111.1N390 Q413K388-N390 PolarHBondContact O-N 3.1Å; K388-Q413 PolarHBondContact O-NE2 3.44Å
389V98.2Very high97.3Very high40 Ų4050.5 Ų50.524%0.24228%0.275CS..  trans-60.5132.1168.11780000108.4E394 V424 Y427 Y428V389-E394 HydrophobicContact CG1-CB 4.45Å; V389-V424 HydrophobicContact CG2-CG1 3.98Å; V389-V424 HydrophobicContact CG2-CG2 4.48Å; V389-Y427 HydrophobicContact CB-CD1 4.33Å; V389-Y427 HydrophobicContact CG1-CD1 3.78Å; V389-Y427 HydrophobicContact CG1-CE1 3.63Å; V389-Y427 HydrophobicContact CG2-CD1 3.53Å; V389-Y427 HydrophobicContact CG2-CE1 4.15Å; V389-Y427 HydrophobicContact CG2-CG 3.82Å; V389-Y428 HydrophobicContact CG1-CE1 3.95Å
390N98.4Very high97.3Very high20 Ų2054.1 Ų54.111%0.10729%0.29CS..  trans-94128.1177.3175.3-76.2000109.3F380 K388 Y392 I393 E394 Y428F380-N390 HydrophobicContact CE1-CB 4.41Å; F380-N390 HydrophobicContact CZ-CB 3.85Å; K388-N390 PolarHBondContact O-N 3.1Å; N390-Y392 VanDerWaalsContact C-N 3.34Å; N390-Y392 PolarHBondContact O-N 3.48Å; N390-Y392 WeakPolarHBondContact OD1-CA 3.49Å; N390-Y392 VanDerWaalsContact OD1-CB 3.32Å; N390-Y392 WeakPolarHBondContact OD1-CB 3.48Å; N390-Y392 PolarHBondContact OD1-N 2.9Å; N390-I393 HydrophobicContact CB-CB 4.38Å; N390-I393 HydrophobicContact CB-CD1 4.03Å; N390-I393 HydrophobicContact CB-CG1 4.11Å; N390-I393 PolarHBondContact O-N 3.13Å; N390-I393 PolarHBondContact OD1-N 2.99Å; N390-I393 VanDerWaalsContact OD1-N 3.1Å; N390-E394 PolarHBondContact O-N 2.88Å; N390-Y428 PolarHBondContact N-OH 3.44Å
391N98.2Very high97.3Very high114 Ų11456.5 Ų56.561%0.6130%0.3SS*.Hα-helixtrans-62.8-38.4-174.7-63.8-10.1000112.4I393 E394 D395N391-I393 VanDerWaalsContact C-N 3.34Å; N391-I393 PolarHBondContact O-N 3.31Å; N391-E394 WeakPolarHBondContact O-CB 3.4Å; N391-E394 PolarHBondContact O-N 2.85Å; N391-D395 WeakPolarHBondContact O-CB 3.42Å; N391-D395 PolarHBondContact O-N 3.31Å
392Y98.5Very high97.3Very high37 Ų3759.7 Ų59.715%0.14532%0.323CS..Hα-helixtrans-64.4-39178.1174.8-97.9000112D369 D372 K373 V376 N390 D395 C396 K405 L409D369-Y392 PolarHBondContact O-OH 2.98Å; D372-Y392 HydrophobicContact CB-CD2 4.12Å; D372-Y392 HydrophobicContact CB-CE2 3.54Å; K373-Y392 HydrophobicContact CB-CE1 4.29Å; K373-Y392 WeakPolarHBondContact CB-OH 3.37Å; K373-Y392 HydrophobicContact CG-CE1 4.46Å; K373-Y392 PolarHBondContact N-OH 3.21Å; V376-Y392 HydrophobicContact CB-CD1 4.34Å; V376-Y392 HydrophobicContact CG2-CD1 3.85Å; V376-Y392 HydrophobicContact CG2-CG 3.95Å; N390-Y392 VanDerWaalsContact C-N 3.34Å; N390-Y392 PolarHBondContact O-N 3.48Å; N390-Y392 WeakPolarHBondContact OD1-CA 3.49Å; N390-Y392 VanDerWaalsContact OD1-CB 3.32Å; N390-Y392 WeakPolarHBondContact OD1-CB 3.48Å; N390-Y392 PolarHBondContact OD1-N 2.9Å; Y392-D395 PolarHBondContact O-N 3.11Å; Y392-C396 VanDerWaalsContact CE1-SG 3.55Å; Y392-C396 WeakPolarHBondContact O-CB 3.29Å; Y392-C396 PolarHBondContact O-N 3.31Å; Y392-C396 PolarHBondContact O-SG 3.31Å; Y392-K405 WeakPolarHBondContact OH-CE 3.37Å; Y392-K405 PolarHBondContact OH-NZ 3.08Å; Y392-L409 HydrophobicContact CD1-CD1 4.14Å; Y392-L409 HydrophobicContact CE1-CD1 3.77Å
393I98.6Very high97.4Very high0 Ų059.7 Ų59.70%032%0.322CS..Hα-helixtrans-64.9-43.8174.2-62.5179.8000110.5F380 N390 N391 C396 I397 V406 L409 V410 Y428F380-I393 HydrophobicContact CE2-CD1 3.99Å; F380-I393 HydrophobicContact CZ-CD1 4.07Å; N390-I393 HydrophobicContact CB-CB 4.38Å; N390-I393 HydrophobicContact CB-CD1 4.03Å; N390-I393 HydrophobicContact CB-CG1 4.11Å; N390-I393 PolarHBondContact O-N 3.13Å; N390-I393 PolarHBondContact OD1-N 2.99Å; N390-I393 VanDerWaalsContact OD1-N 3.1Å; N391-I393 VanDerWaalsContact C-N 3.34Å; N391-I393 PolarHBondContact O-N 3.31Å; I393-C396 WeakPolarHBondContact O-CB 3.37Å; I393-C396 PolarHBondContact O-N 2.71Å; I393-I397 HydrophobicContact CG2-CD1 4.06Å; I393-I397 WeakPolarHBondContact O-CG1 3.24Å; I393-I397 PolarHBondContact O-N 3.11Å; I393-V406 HydrophobicContact CG2-CG1 4.36Å; I393-L409 HydrophobicContact CD1-CB 3.73Å; I393-L409 HydrophobicContact CG1-CB 3.89Å; I393-L409 HydrophobicContact CG1-CD1 4.21Å; I393-V410 HydrophobicContact CD1-CG2 4.08Å; I393-V410 HydrophobicContact CG2-CG2 3.59Å; I393-Y428 HydrophobicContact CB-CE1 4.14Å; I393-Y428 HydrophobicContact CG2-CD1 4.14Å; I393-Y428 HydrophobicContact CG2-CE1 3.59Å
394E98.4Very high97.5Very high63 Ų6359.1 Ų59.129%0.29431%0.31SS..Hα-helixtrans-58-47175.6178.6174.3-93.900111.4V389 N390 N391 C396 I397 A398 Y427V389-E394 HydrophobicContact CG1-CB 4.45Å; N390-E394 PolarHBondContact O-N 2.88Å; N391-E394 WeakPolarHBondContact O-CB 3.4Å; N391-E394 PolarHBondContact O-N 2.85Å; E394-C396 PolarHBondContact O-N 3.03Å; E394-I397 PolarHBondContact O-N 3.46Å; E394-I397 VanDerWaalsContact O-N 3.17Å; E394-A398 WeakPolarHBondContact O-CB 3.45Å; E394-A398 PolarHBondContact O-N 2.84Å; E394-Y427 WeakPolarHBondContact OE1-CE1 3.38Å; E394-Y427 PolarHBondContact OE1-OH 3.44Å
395D98.4Very high97.7Very high80 Ų8056.4 Ų56.443%0.42830%0.295SS..Hα-helixtrans-62.1-42.5176-72-30.1000112N391 Y392 I397 A398 Q399N391-D395 WeakPolarHBondContact O-CB 3.42Å; N391-D395 PolarHBondContact O-N 3.31Å; Y392-D395 PolarHBondContact O-N 3.11Å; D395-I397 VanDerWaalsContact C-N 3.28Å; D395-I397 PolarHBondContact O-N 2.86Å; D395-A398 PolarHBondContact O-N 2.76Å; D395-Q399 VanDerWaalsContact O-CB 3.32Å; D395-Q399 WeakPolarHBondContact O-CB 3.29Å; D395-Q399 WeakPolarHBondContact O-CG 3.13Å; D395-Q399 PolarHBondContact O-N 2.83Å
396C98.6Very high97.9Very high2 Ų251.7 Ų51.71%0.01427%0.27CS..Hα-helixtrans-58.8-40.3174.6-75.10000111.8Y392 I393 E394 K400 H401 V406 Y436Y392-C396 VanDerWaalsContact CE1-SG 3.55Å; Y392-C396 WeakPolarHBondContact O-CB 3.29Å; Y392-C396 PolarHBondContact O-N 3.31Å; Y392-C396 PolarHBondContact O-SG 3.31Å; I393-C396 WeakPolarHBondContact O-CB 3.37Å; I393-C396 PolarHBondContact O-N 2.71Å; E394-C396 PolarHBondContact O-N 3.03Å; C396-K400 PolarHBondContact O-N 2.81Å; C396-H401 HydrophobicContact CB-CB 4.16Å; C396-H401 WeakPolarHBondContact O-CB 3.25Å; C396-H401 PolarHBondContact O-N 3.1Å; C396-V406 HydrophobicContact CB-CG2 4.08Å; C396-Y436 PolarHBondContact O-OH 3.27Å
397I98.7Very high98.1Very high4 Ų451.2 Ų51.22%0.02127%0.267CS..Hα-helixtrans-67.5-51.6175.4-64.6163.9000109.7I393 E394 D395 Q399 K400 V406 Y428 E431 I432 T435 Y436I393-I397 HydrophobicContact CG2-CD1 4.06Å; I393-I397 WeakPolarHBondContact O-CG1 3.24Å; I393-I397 PolarHBondContact O-N 3.11Å; E394-I397 PolarHBondContact O-N 3.46Å; E394-I397 VanDerWaalsContact O-N 3.17Å; D395-I397 VanDerWaalsContact C-N 3.28Å; D395-I397 PolarHBondContact O-N 2.86Å; I397-Q399 VanDerWaalsContact C-N 3.26Å; I397-Q399 PolarHBondContact O-N 2.77Å; I397-K400 WeakPolarHBondContact O-CA 3.38Å; I397-K400 PolarHBondContact O-N 3.2Å; I397-V406 HydrophobicContact CD1-CG1 3.86Å; I397-V406 HydrophobicContact CG1-CB 4.44Å; I397-V406 HydrophobicContact CG1-CG1 3.59Å; I397-V406 HydrophobicContact CG1-CG2 3.94Å; I397-Y428 HydrophobicContact CD1-CD1 4.3Å; I397-E431 HydrophobicContact CD1-CB 4.22Å; I397-E431 HydrophobicContact CG2-CB 3.94Å; I397-I432 HydrophobicContact CD1-CG1 4.08Å; I397-T435 HydrophobicContact CG2-CG2 4.23Å; I397-T435 WeakPolarHBondContact CG2-OG1 3.35Å; I397-T435 WeakPolarHBondContact O-CG2 3.49Å; I397-Y436 HydrophobicContact CG1-CE2 4.39Å; I397-Y436 HydrophobicContact CG2-CE2 4.15Å
398A98.2Very high98.2Very high80 Ų8049.3 Ų49.366%0.66126%0.256SS*.Hα-helixtrans-59.1-35.8-177.900000113.1E394 D395 K400E394-A398 WeakPolarHBondContact O-CB 3.45Å; E394-A398 PolarHBondContact O-N 2.84Å; D395-A398 PolarHBondContact O-N 2.76Å; A398-K400 VanDerWaalsContact C-N 3.3Å
399Q98.1Very high98.3Very high132 Ų13243.4 Ų43.462%0.61723%0.23SC*.THydrogen-bonded Turntrans-85.51.1176.2-65.7177.328.700113.7D395 I397 H401D395-Q399 VanDerWaalsContact O-CB 3.32Å; D395-Q399 WeakPolarHBondContact O-CB 3.29Å; D395-Q399 WeakPolarHBondContact O-CG 3.13Å; D395-Q399 PolarHBondContact O-N 2.83Å; I397-Q399 VanDerWaalsContact C-N 3.26Å; I397-Q399 PolarHBondContact O-N 2.77Å; Q399-H401 PolarHBondContact O-N 2.95Å; Q399-H401 PolarHBondContact OE1-NE2 3.39Å
400K97.8Very high98.4Very high142 Ų14241.5 Ų41.562%0.61722%0.219SC*.THydrogen-bonded Turntrans54.648.2179.7-160.4178.5-175.7174.10113C396 I397 A398 T435 Y436C396-K400 PolarHBondContact O-N 2.81Å; I397-K400 WeakPolarHBondContact O-CA 3.38Å; I397-K400 PolarHBondContact O-N 3.2Å; A398-K400 VanDerWaalsContact C-N 3.3Å; K400-T435 HydrophobicContact CB-CG2 4.27Å; K400-T435 HydrophobicContact CG-CG2 4.07Å; K400-Y436 HydrophobicContact CG-CE1 4.05Å
401H98.2Very high98.4Very high49 Ų4940.5 Ų40.523%0.22721%0.214CC..  trans-60.3175.8168.2-80.4-122.9000110.9D369 C396 Q399 L403 K405 Y436D369-H401 IonicContact OD1-CE1 3.27Å; D369-H401 PolarHBondContact OD1-CE1 3.47Å; D369-H401 IonicContact OD1-ND1 2.78Å; C396-H401 HydrophobicContact CB-CB 4.16Å; C396-H401 WeakPolarHBondContact O-CB 3.25Å; C396-H401 PolarHBondContact O-N 3.1Å; Q399-H401 PolarHBondContact O-N 2.95Å; Q399-H401 PolarHBondContact OE1-NE2 3.39Å; H401-L403 PolarHBondContact O-N 3.34Å; H401-K405 HydrophobicContact CB-CD 4.42Å; H401-K405 PolarHBondContact ND1-NZ 2.92Å; H401-Y436 PolarHBondContact N-OH 2.99Å; H401-Y436 WeakPolarHBondContact O-CE1 3.48Å; H401-Y436 PolarHBondContact O-OH 3.5Å
402S97.5Very high98.4Very high69 Ų6935.1 Ų35.148%0.48319%0.185SC..  trans-55.1130.1175.8175.30000111.6I404 K405 V406S402-I404 PolarHBondContact O-N 3.36Å; S402-I404 PolarHBondContact OG-N 2.93Å; S402-K405 WeakPolarHBondContact O-CB 3.27Å; S402-K405 PolarHBondContact O-N 3.41Å; S402-V406 PolarHBondContact O-N 2.86Å
403L98.2Very high98.4Very high16 Ų1633.4 Ų33.48%0.08418%0.178CC..Hα-helixtrans-56-37.6175.7176.359.2000111.3H401 K405 V406 L407 I432 Y436 H440 M592H401-L403 PolarHBondContact O-N 3.34Å; L403-K405 VanDerWaalsContact C-N 3.31Å; L403-K405 PolarHBondContact O-N 3.47Å; L403-V406 PolarHBondContact O-N 2.93Å; L403-L407 HydrophobicContact CD1-CD1 4.05Å; L403-L407 HydrophobicContact CD1-CD2 4.17Å; L403-L407 HydrophobicContact CD1-CG 3.81Å; L403-L407 HydrophobicContact CD2-CD1 4.31Å; L403-L407 HydrophobicContact CG-CD1 3.8Å; L403-L407 HydrophobicContact CG-CG 4.04Å; L403-L407 WeakPolarHBondContact O-CB 3.48Å; L403-L407 VanDerWaalsContact O-CG 3.29Å; L403-L407 WeakPolarHBondContact O-CG 3.47Å; L403-L407 PolarHBondContact O-N 2.74Å; L403-I432 HydrophobicContact CD1-CG2 3.76Å; L403-Y436 HydrophobicContact CB-CD1 3.79Å; L403-Y436 HydrophobicContact CB-CE1 3.99Å; L403-Y436 HydrophobicContact CB-CG 4.2Å; L403-Y436 HydrophobicContact CD1-CD1 4.28Å; L403-Y436 HydrophobicContact CD1-CD2 3.76Å; L403-Y436 HydrophobicContact CD1-CE2 4.16Å; L403-Y436 HydrophobicContact CD1-CG 3.83Å; L403-Y436 HydrophobicContact CD2-CG 4.45Å; L403-Y436 HydrophobicContact CG-CD1 4.45Å; L403-Y436 HydrophobicContact CG-CG 4.37Å; L403-H440 VanDerWaalsContact CD2-CE1 3.45Å; L403-H440 WeakPolarHBondContact CD2-CE1 3.32Å; L403-H440 WeakPolarHBondContact CD2-NE2 3.15Å; L403-M592 HydrophobicContact CD2-CE 3.95Å
404I98.1Very high98.4Very high24 Ų2433.4 Ų33.412%0.12318%0.178CC..Hα-helixtrans-62.7-40179.2-64.1160.7000110.9S402 L407 R408 T585 I588 E589 M592S402-I404 PolarHBondContact O-N 3.36Å; S402-I404 PolarHBondContact OG-N 2.93Å; I404-L407 PolarHBondContact O-N 2.9Å; I404-R408 HydrophobicContact CG2-CG 4.32Å; I404-R408 WeakPolarHBondContact O-CB 3.32Å; I404-R408 VanDerWaalsContact O-CG 3.28Å; I404-R408 WeakPolarHBondContact O-CG 3.24Å; I404-R408 PolarHBondContact O-N 2.96Å; I404-T585 HydrophobicContact CD1-CG2 4.29Å; I404-T585 HydrophobicContact CG2-CG2 4.07Å; I404-I588 HydrophobicContact CG1-CG2 4.44Å; I404-I588 HydrophobicContact CG2-CB 4.19Å; I404-I588 HydrophobicContact CG2-CG2 4.14Å; I404-E589 HydrophobicContact CD1-CG 3.45Å; I404-E589 VanDerWaalsContact CD1-CG 3.45Å; I404-E589 VanDerWaalsContact CD1-OE1 3.3Å; I404-E589 WeakPolarHBondContact CD1-OE1 3.45Å; I404-E589 HydrophobicContact CG1-CG 4.24Å; I404-M592 HydrophobicContact CG1-SD 3.9Å
405K98.2Very high98.3Very high26 Ų2631.7 Ų31.711%0.11317%0.172CC..Hα-helixtrans-59.8-48.4174.8176.3-179.7174.8-179.30110.7D369 K373 Y392 H401 S402 L403 R408 L409D369-K405 IonicContact OD1-NZ 2.93Å; D369-K405 PolarHBondContact OD1-NZ 3.43Å; D369-K405 IonicContact OD2-NZ 3.55Å; D369-K405 PolarHBondContact OD2-NZ 2.96Å; K373-K405 HydrophobicContact CD-CG 4.34Å; Y392-K405 WeakPolarHBondContact OH-CE 3.37Å; Y392-K405 PolarHBondContact OH-NZ 3.08Å; H401-K405 HydrophobicContact CB-CD 4.42Å; H401-K405 PolarHBondContact ND1-NZ 2.92Å; S402-K405 WeakPolarHBondContact O-CB 3.27Å; S402-K405 PolarHBondContact O-N 3.41Å; L403-K405 VanDerWaalsContact C-N 3.31Å; L403-K405 PolarHBondContact O-N 3.47Å; K405-R408 PolarHBondContact O-N 3.35Å; K405-L409 HydrophobicContact CG-CD1 4.21Å; K405-L409 WeakPolarHBondContact O-CG 3.4Å; K405-L409 PolarHBondContact O-N 2.85Å; K405-L409 VanDerWaalsContact O-N 3.14Å
406V98.7Very high98.3Very high0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-60.3-48.8177.6173.50000111.1I393 C396 I397 S402 L403 R408 L409 V410 I432 Y436I393-V406 HydrophobicContact CG2-CG1 4.36Å; C396-V406 HydrophobicContact CB-CG2 4.08Å; I397-V406 HydrophobicContact CD1-CG1 3.86Å; I397-V406 HydrophobicContact CG1-CB 4.44Å; I397-V406 HydrophobicContact CG1-CG1 3.59Å; I397-V406 HydrophobicContact CG1-CG2 3.94Å; S402-V406 PolarHBondContact O-N 2.86Å; L403-V406 PolarHBondContact O-N 2.93Å; V406-R408 PolarHBondContact O-N 3.11Å; V406-L409 PolarHBondContact O-N 3.3Å; V406-V410 HydrophobicContact CG1-CG2 4.28Å; V406-V410 WeakPolarHBondContact O-CG2 3.37Å; V406-V410 PolarHBondContact O-N 2.87Å; V406-I432 HydrophobicContact CG1-CD1 4.04Å; V406-I432 HydrophobicContact CG1-CG1 4.02Å; V406-Y436 HydrophobicContact CG2-CE2 4.48Å
407L98.7Very high98.1Very high0 Ų028.4 Ų28.40%015%0.154CC..Hα-helixtrans-62.3-42.6-179.5-68177.7000111.6L403 I404 L409 V410 C411 I432 T443 L444 L447 I588L403-L407 HydrophobicContact CD1-CD1 4.05Å; L403-L407 HydrophobicContact CD1-CD2 4.17Å; L403-L407 HydrophobicContact CD1-CG 3.81Å; L403-L407 HydrophobicContact CD2-CD1 4.31Å; L403-L407 HydrophobicContact CG-CD1 3.8Å; L403-L407 HydrophobicContact CG-CG 4.04Å; L403-L407 WeakPolarHBondContact O-CB 3.48Å; L403-L407 VanDerWaalsContact O-CG 3.29Å; L403-L407 WeakPolarHBondContact O-CG 3.47Å; L403-L407 PolarHBondContact O-N 2.74Å; I404-L407 PolarHBondContact O-N 2.9Å; L407-L409 PolarHBondContact O-N 3.13Å; L407-V410 PolarHBondContact O-N 3.42Å; L407-C411 WeakPolarHBondContact O-CB 3.35Å; L407-C411 PolarHBondContact O-N 3.23Å; L407-C411 PolarHBondContact O-SG 3.28Å; L407-I432 HydrophobicContact CD2-CD1 4.1Å; L407-T443 HydrophobicContact CD1-CG2 3.92Å; L407-L444 HydrophobicContact CD2-CD2 3.93Å; L407-L447 HydrophobicContact CB-CD1 4.39Å; L407-L447 HydrophobicContact CD1-CD1 4.16Å; L407-L447 HydrophobicContact CD2-CD1 3.74Å; L407-L447 HydrophobicContact CG-CD1 4.3Å; L407-I588 HydrophobicContact CB-CG2 3.97Å; L407-I588 HydrophobicContact CD1-CG2 3.93Å
408R98.5Very high98Very high12 Ų1229.9 Ų29.95%0.04517%0.165CC..Hα-helixtrans-56.5-49.1175-76.217668.3166.71.2111.4L240 E252 I404 K405 V406 C411 L412 T585 I588L240-R408 PolarHBondContact O-NE 2.95Å; L240-R408 PolarHBondContact O-NH2 3.16Å; E252-R408 IonicContact OE1-NH2 2.72Å; E252-R408 IonicContact OE2-CZ 3.51Å; E252-R408 IonicContact OE2-NH1 2.8Å; E252-R408 PolarHBondContact OE2-NH1 3.37Å; E252-R408 IonicContact OE2-NH2 3.87Å; E252-R408 PolarHBondContact OE2-NH2 3.5Å; I404-R408 HydrophobicContact CG2-CG 4.32Å; I404-R408 WeakPolarHBondContact O-CB 3.32Å; I404-R408 VanDerWaalsContact O-CG 3.28Å; I404-R408 WeakPolarHBondContact O-CG 3.24Å; I404-R408 PolarHBondContact O-N 2.96Å; K405-R408 PolarHBondContact O-N 3.35Å; V406-R408 PolarHBondContact O-N 3.11Å; R408-C411 PolarHBondContact O-N 2.84Å; R408-L412 VanDerWaalsContact O-CB 3.29Å; R408-L412 WeakPolarHBondContact O-CB 3.43Å; R408-L412 PolarHBondContact O-N 3.21Å; R408-T585 PolarHBondContact NH1-OG1 3.29Å; R408-I588 HydrophobicContact CG-CG1 3.75Å
409L98.7Very high97.9Very high1 Ų126.1 Ų26.11%0.00513%0.134CC..Hα-helixtrans-65.3-45.4-178.6-69167.9000112.5K373 V376 E377 Y392 I393 K405 V406 L407 L412 Q413K373-L409 HydrophobicContact CG-CD1 4.43Å; K373-L409 HydrophobicContact CG-CD2 4.15Å; V376-L409 HydrophobicContact CG1-CD2 4.28Å; E377-L409 HydrophobicContact CG-CD2 3.74Å; Y392-L409 HydrophobicContact CD1-CD1 4.14Å; Y392-L409 HydrophobicContact CE1-CD1 3.77Å; I393-L409 HydrophobicContact CD1-CB 3.73Å; I393-L409 HydrophobicContact CG1-CB 3.89Å; I393-L409 HydrophobicContact CG1-CD1 4.21Å; K405-L409 HydrophobicContact CG-CD1 4.21Å; K405-L409 WeakPolarHBondContact O-CG 3.4Å; K405-L409 PolarHBondContact O-N 2.85Å; K405-L409 VanDerWaalsContact O-N 3.14Å; V406-L409 PolarHBondContact O-N 3.3Å; L407-L409 PolarHBondContact O-N 3.13Å; L409-L412 PolarHBondContact O-N 3.32Å; L409-Q413 WeakPolarHBondContact O-CB 3.47Å; L409-Q413 PolarHBondContact O-N 3.31Å
410V98.7Very high97.9Very high0 Ų019.8 Ų19.80%010%0.104CC..Hα-helixtrans-66.4-39.6179.2173.20000111.2I393 V406 L407 S414 L420 Y428 L453I393-V410 HydrophobicContact CD1-CG2 4.08Å; I393-V410 HydrophobicContact CG2-CG2 3.59Å; V406-V410 HydrophobicContact CG1-CG2 4.28Å; V406-V410 WeakPolarHBondContact O-CG2 3.37Å; V406-V410 PolarHBondContact O-N 2.87Å; L407-V410 PolarHBondContact O-N 3.42Å; V410-S414 VanDerWaalsContact O-CB 3.29Å; V410-S414 WeakPolarHBondContact O-CB 3.5Å; V410-S414 PolarHBondContact O-N 3.35Å; V410-L420 HydrophobicContact CG1-CD1 4.28Å; V410-Y428 HydrophobicContact CG1-CD2 3.79Å; V410-Y428 HydrophobicContact CG1-CE2 4.26Å; V410-Y428 HydrophobicContact CG1-CG 4.2Å; V410-Y428 HydrophobicContact CG2-CD1 4.12Å; V410-Y428 HydrophobicContact CG2-CD2 4.17Å; V410-Y428 HydrophobicContact CG2-CE1 4.27Å; V410-Y428 HydrophobicContact CG2-CE2 4.28Å; V410-Y428 HydrophobicContact CG2-CG 4.07Å; V410-L453 HydrophobicContact CG1-CD1 3.47Å; V410-L453 VanDerWaalsContact CG1-CD1 3.47Å; V410-L453 HydrophobicContact CG1-CD2 3.89Å; V410-L453 HydrophobicContact CG1-CG 4.29Å
411C98.8Very high97.8Very high0 Ų017.4 Ų17.40%09%0.094CC..Hα-helixtrans-64.8-41.7172.8-71.30000111.6L240 L407 R408 Q413 S414 V415 L452L240-C411 HydrophobicContact CD1-CB 3.91Å; L240-C411 HydrophobicContact CD2-CB 3.99Å; L407-C411 WeakPolarHBondContact O-CB 3.35Å; L407-C411 PolarHBondContact O-N 3.23Å; L407-C411 PolarHBondContact O-SG 3.28Å; R408-C411 PolarHBondContact O-N 2.84Å; C411-Q413 PolarHBondContact O-N 3.41Å; C411-S414 PolarHBondContact O-N 3.09Å; C411-V415 VanDerWaalsContact O-CG2 3.3Å; C411-V415 WeakPolarHBondContact O-CG2 3.49Å; C411-V415 PolarHBondContact O-N 2.79Å; C411-L452 HydrophobicContact CB-CB 4.11Å
412L98.6Very high97.7Very high1 Ų119.9 Ų19.91%0.00511%0.106CC..Hα-helixtrans-61.1-48.3178.4-171.376000110.4L237 L240 E377 F380 M381 R408 L409 S414 V415 C416L237-L412 HydrophobicContact CD1-CD1 3.37Å; L237-L412 HydrophobicContact CD1-CG 4.27Å; L237-L412 HydrophobicContact CG-CD1 4.28Å; L240-L412 HydrophobicContact CB-CB 4.3Å; L240-L412 HydrophobicContact CB-CD1 3.65Å; L240-L412 HydrophobicContact CD1-CB 4.28Å; L240-L412 HydrophobicContact CD1-CD1 4.28Å; E377-L412 HydrophobicContact CB-CD2 3.69Å; E377-L412 HydrophobicContact CG-CD2 3.71Å; F380-L412 HydrophobicContact CB-CD2 4.35Å; F380-L412 HydrophobicContact CB-CG 4.41Å; F380-L412 HydrophobicContact CD2-CD2 4.2Å; F380-L412 HydrophobicContact CD2-CG 4.46Å; M381-L412 HydrophobicContact CG-CD1 4.37Å; R408-L412 VanDerWaalsContact O-CB 3.29Å; R408-L412 WeakPolarHBondContact O-CB 3.43Å; R408-L412 PolarHBondContact O-N 3.21Å; L409-L412 PolarHBondContact O-N 3.32Å; L412-S414 VanDerWaalsContact C-N 3.35Å; L412-S414 PolarHBondContact O-N 2.78Å; L412-V415 PolarHBondContact O-N 2.9Å; L412-C416 WeakPolarHBondContact O-CB 3.45Å; L412-C416 PolarHBondContact O-N 2.99Å; L412-C416 PolarHBondContact O-SG 3.43Å; L412-C416 VanDerWaalsContact O-SG 3.37Å
413Q98.5Very high97.7Very high0 Ų025.4 Ų25.40%012%0.121CC..Hα-helixtrans-56.4-48.8175.1-167.5-177.426.900111.7F380 D385 K388 L409 C411 C416 N417 L420 Y428F380-Q413 HydrophobicContact CD1-CB 4.47Å; F380-Q413 HydrophobicContact CD1-CG 4.12Å; F380-Q413 HydrophobicContact CD2-CB 3.88Å; F380-Q413 HydrophobicContact CD2-CG 4.38Å; F380-Q413 HydrophobicContact CE1-CB 4.29Å; F380-Q413 HydrophobicContact CE1-CG 3.78Å; F380-Q413 HydrophobicContact CE2-CB 3.67Å; F380-Q413 HydrophobicContact CE2-CG 4.08Å; F380-Q413 HydrophobicContact CG-CB 4.28Å; F380-Q413 HydrophobicContact CG-CG 4.4Å; F380-Q413 HydrophobicContact CZ-CB 3.88Å; F380-Q413 HydrophobicContact CZ-CG 3.76Å; D385-Q413 PolarHBondContact O-NE2 2.95Å; K388-Q413 PolarHBondContact O-NE2 3.44Å; L409-Q413 WeakPolarHBondContact O-CB 3.47Å; L409-Q413 PolarHBondContact O-N 3.31Å; C411-Q413 PolarHBondContact O-N 3.41Å; Q413-C416 PolarHBondContact O-N 3.4Å; Q413-N417 WeakPolarHBondContact O-CB 3.37Å; Q413-N417 PolarHBondContact O-N 3.27Å; Q413-N417 VanDerWaalsContact O-N 3.1Å; Q413-L420 HydrophobicContact CG-CD2 4.07Å; Q413-Y428 PolarHBondContact OE1-OH 3.23Å
414S98.2Very high97.7Very high0 Ų025.3 Ų25.30%012%0.121CC..Hα-helixtrans-59.7-47.3178.6167.20000111.9V410 C411 L412 N417 S418 G419 L452 K454V410-S414 VanDerWaalsContact O-CB 3.29Å; V410-S414 WeakPolarHBondContact O-CB 3.5Å; V410-S414 PolarHBondContact O-N 3.35Å; C411-S414 PolarHBondContact O-N 3.09Å; L412-S414 VanDerWaalsContact C-N 3.35Å; L412-S414 PolarHBondContact O-N 2.78Å; S414-N417 CarbonylContact O-C 3.54Å; S414-N417 PolarHBondContact O-N 3Å; S414-S418 PolarHBondContact O-N 3.11Å; S414-S418 VanDerWaalsContact O-N 3.07Å; S414-G419 PolarHBondContact O-N 2.94Å; S414-L452 WeakPolarHBondContact CB-O 3.41Å; S414-L452 PolarHBondContact OG-O 2.96Å; S414-K454 PolarHBondContact OG-N 3.12Å
415V97.4Very high97.7Very high28 Ų2824.2 Ų24.217%0.1712%0.115CC..Hα-helixtrans-63.2-44.6179.3172.70000111.3L236 L237 L240 C411 L412 N417 S418 L452L236-V415 HydrophobicContact CB-CG1 4.28Å; L236-V415 HydrophobicContact CB-CG2 4.11Å; L237-V415 HydrophobicContact CB-CG1 4.07Å; L237-V415 HydrophobicContact CD1-CB 4.46Å; L237-V415 HydrophobicContact CD1-CG1 4.06Å; L240-V415 HydrophobicContact CD1-CG2 4.19Å; C411-V415 VanDerWaalsContact O-CG2 3.3Å; C411-V415 WeakPolarHBondContact O-CG2 3.49Å; C411-V415 PolarHBondContact O-N 2.79Å; L412-V415 PolarHBondContact O-N 2.9Å; V415-N417 PolarHBondContact O-N 2.94Å; V415-S418 PolarHBondContact O-N 2.95Å; V415-L452 HydrophobicContact CG2-CD2 4.17Å
416C96.9Very high97.7Very high1 Ų126.4 Ų26.41%0.00713%0.128CC..Hα-helixtrans-63.2-23.1176.1-71.50000113.8L237 F380 T386 L412 Q413 N461 Y463L237-C416 WeakPolarHBondContact CD1-SG 3.39Å; F380-C416 VanDerWaalsContact C-SG 3.53Å; F380-C416 HydrophobicContact CB-CB 4.48Å; F380-C416 WeakPolarHBondContact O-CB 3.39Å; F380-C416 PolarHBondContact O-SG 3.05Å; T386-C416 HydrophobicContact CG2-CB 3.91Å; L412-C416 WeakPolarHBondContact O-CB 3.45Å; L412-C416 PolarHBondContact O-N 2.99Å; L412-C416 PolarHBondContact O-SG 3.43Å; L412-C416 VanDerWaalsContact O-SG 3.37Å; Q413-C416 PolarHBondContact O-N 3.4Å; C416-N461 PolarHBondContact O-ND2 3.25Å; C416-N461 VanDerWaalsContact O-ND2 3.14Å; C416-Y463 HydrophobicContact CB-CD1 4.18Å; C416-Y463 HydrophobicContact CB-CE1 4.23Å; C416-Y463 WeakPolarHBondContact O-CB 3.3Å; C416-Y463 VanDerWaalsContact O-CD1 3.3Å; C416-Y463 WeakPolarHBondContact O-CD1 3.43Å
417N96.3Very high97.7Very high11 Ų1129 Ų296%0.05914%0.139CC..Hα-helixtrans-103.73.4179.7-160.542.3000114.9T386 Q413 S414 V415 G419 N461T386-N417 PolarHBondContact OG1-OD1 2.93Å; Q413-N417 WeakPolarHBondContact O-CB 3.37Å; Q413-N417 PolarHBondContact O-N 3.27Å; Q413-N417 VanDerWaalsContact O-N 3.1Å; S414-N417 CarbonylContact O-C 3.54Å; S414-N417 PolarHBondContact O-N 3Å; V415-N417 PolarHBondContact O-N 2.94Å; N417-G419 WeakPolarHBondContact CB-O 3.5Å; N417-G419 PolarHBondContact ND2-O 3.25Å; N417-G419 PolarHBondContact O-N 2.96Å; N417-N461 WeakPolarHBondContact CA-ND2 3.27Å; N417-N461 PolarHBondContact OD1-ND2 3.14Å
418S95.3Very high97.7Very high36 Ų3629 Ų2925%0.25214%0.139SC..THydrogen-bonded Turntrans5736.8-170.1-56.10000113.3S414 V415 N461S414-S418 PolarHBondContact O-N 3.11Å; S414-S418 VanDerWaalsContact O-N 3.07Å; V415-S418 PolarHBondContact O-N 2.95Å; S418-N461 PolarHBondContact OG-OD1 3Å
419G97.1Very high97.7Very high0 Ų030.6 Ų30.60%015%0.146CC..SBendtrans106.3165-174.500000113S414 N417 K454S414-G419 PolarHBondContact O-N 2.94Å; N417-G419 WeakPolarHBondContact CB-O 3.5Å; N417-G419 PolarHBondContact ND2-O 3.25Å; N417-G419 PolarHBondContact O-N 2.96Å; G419-K454 CarbonylContact C-O 3.35Å; G419-K454 WeakPolarHBondContact CA-O 3.39Å
420L97.4Very high97.7Very high0 Ų035.4 Ų35.40%016%0.164CC..BIsolated β-bridgetrans-102.6147.7179.4-60.4178.2000111.1V410 Q413 V424 L425 Y428 L453 K454 P455 Q456V410-L420 HydrophobicContact CG1-CD1 4.28Å; Q413-L420 HydrophobicContact CG-CD2 4.07Å; L420-V424 HydrophobicContact CB-CB 4.47Å; L420-V424 HydrophobicContact CB-CG1 4.47Å; L420-V424 HydrophobicContact CD1-CG1 4.28Å; L420-L425 HydrophobicContact CB-CB 4.22Å; L420-Y428 HydrophobicContact CD1-CD2 3.76Å; L420-Y428 HydrophobicContact CD1-CE2 3.89Å; L420-L453 HydrophobicContact CD1-CD1 3.77Å; L420-K454 PolarHBondContact N-O 3.27Å; L420-P455 CarbonylContact O-C 3.52Å; L420-P455 WeakPolarHBondContact O-CA 3.47Å; L420-Q456 PolarHBondContact O-N 2.94Å
421K96.5Very high97.7Very high91 Ų9137.3 Ų37.340%0.39617%0.173SC..  trans-57.3141.7169.6-69.3171-177.11600109.1D387 K423 V424 L425D387-K421 IonicContact OD2-NZ 3.56Å; D387-K421 PolarHBondContact OD2-NZ 2.63Å; K421-K423 PolarHBondContact O-N 3.08Å; K421-K423 VanDerWaalsContact O-N 3.08Å; K421-V424 HydrophobicContact CB-CG2 4.31Å; K421-V424 WeakPolarHBondContact O-CA 3.35Å; K421-V424 WeakPolarHBondContact O-CB 3.33Å; K421-V424 PolarHBondContact O-N 3.23Å; K421-L425 PolarHBondContact O-N 3.46Å
422Q96.3Very high97.7Very high102 Ų10237.4 Ų37.448%0.47717%0.173SC..Hα-helixtrans-49-44.7-174.6-169.163.348.300113V424 L425 D426Q422-V424 VanDerWaalsContact C-N 3.35Å; Q422-V424 PolarHBondContact O-N 2.73Å; Q422-L425 PolarHBondContact O-N 2.85Å; Q422-D426 PolarHBondContact NE2-OD1 3.43Å; Q422-D426 PolarHBondContact NE2-OD2 3.43Å; Q422-D426 WeakPolarHBondContact O-CB 3.46Å; Q422-D426 PolarHBondContact O-N 2.89Å
423K97.5Very high97.7Very high184 Ų18438.5 Ų38.580%0.818%0.179SC*.Hα-helixtrans-60.4-39.1178-174.4178.3178.3-177.90113.7K421 Y427K421-K423 PolarHBondContact O-N 3.08Å; K421-K423 VanDerWaalsContact O-N 3.08Å; K423-Y427 WeakPolarHBondContact O-CB 3.39Å; K423-Y427 PolarHBondContact O-N 2.78Å; K423-Y427 VanDerWaalsContact O-N 3.11Å
424V98.2Very high97.7Very high14 Ų1443.9 Ų43.99%0.08520%0.204CC..Hα-helixtrans-73.2-41.7178.6179.40000109.9V389 L420 K421 Q422 Y427 Y428V389-V424 HydrophobicContact CG2-CG1 3.98Å; V389-V424 HydrophobicContact CG2-CG2 4.48Å; L420-V424 HydrophobicContact CB-CB 4.47Å; L420-V424 HydrophobicContact CB-CG1 4.47Å; L420-V424 HydrophobicContact CD1-CG1 4.28Å; K421-V424 HydrophobicContact CB-CG2 4.31Å; K421-V424 WeakPolarHBondContact O-CA 3.35Å; K421-V424 WeakPolarHBondContact O-CB 3.33Å; K421-V424 PolarHBondContact O-N 3.23Å; Q422-V424 VanDerWaalsContact C-N 3.35Å; Q422-V424 PolarHBondContact O-N 2.73Å; V424-Y427 WeakPolarHBondContact O-CB 3.46Å; V424-Y427 PolarHBondContact O-N 3.28Å; V424-Y428 HydrophobicContact CG1-CD2 4.03Å; V424-Y428 HydrophobicContact CG1-CE2 3.66Å; V424-Y428 WeakPolarHBondContact O-CD2 3.29Å; V424-Y428 PolarHBondContact O-N 2.83Å
425L98.1Very high97.7Very high1 Ų145.9 Ų45.91%0.00522%0.216CC..Hα-helixtrans-60.8-49.7175.9-176.462000111.7L420 K421 Q422 Y427 Y428 K429 L453 P455L420-L425 HydrophobicContact CB-CB 4.22Å; K421-L425 PolarHBondContact O-N 3.46Å; Q422-L425 PolarHBondContact O-N 2.85Å; L425-Y427 PolarHBondContact O-N 3.33Å; L425-Y428 PolarHBondContact O-N 3.07Å; L425-K429 HydrophobicContact CD1-CD 4.37Å; L425-K429 HydrophobicContact CD1-CG 4.36Å; L425-K429 HydrophobicContact CG-CD 4.15Å; L425-K429 HydrophobicContact CG-CG 4.48Å; L425-K429 WeakPolarHBondContact O-CB 3.13Å; L425-K429 WeakPolarHBondContact O-CG 3.3Å; L425-K429 PolarHBondContact O-N 2.96Å; L425-L453 HydrophobicContact CD1-CD1 3.45Å; L425-L453 VanDerWaalsContact CD1-CD1 3.45Å; L425-L453 HydrophobicContact CD1-CD2 4.4Å; L425-L453 HydrophobicContact CD1-CG 3.71Å; L425-P455 HydrophobicContact CD2-CB 4.02Å; L425-P455 HydrophobicContact CD2-CG 4.48Å
426D98.3Very high97.7Very high72 Ų7246 Ų4639%0.38521%0.214SC..Hα-helixtrans-63.3-33.6178.6-66.8-19.8000111.8Q422 R430Q422-D426 PolarHBondContact NE2-OD1 3.43Å; Q422-D426 PolarHBondContact NE2-OD2 3.43Å; Q422-D426 WeakPolarHBondContact O-CB 3.46Å; Q422-D426 PolarHBondContact O-N 2.89Å; D426-R430 VanDerWaalsContact O-CB 3.27Å; D426-R430 WeakPolarHBondContact O-CB 3.46Å; D426-R430 PolarHBondContact O-N 3.43Å
427Y98.7Very high97.7Very high56 Ų5646.8 Ų46.822%0.2222%0.222CC..Hα-helixtrans-59.9-61.1172.8-173.9-90.9000110.7V389 E394 K423 V424 L425 K429 R430 E431V389-Y427 HydrophobicContact CB-CD1 4.33Å; V389-Y427 HydrophobicContact CG1-CD1 3.78Å; V389-Y427 HydrophobicContact CG1-CE1 3.63Å; V389-Y427 HydrophobicContact CG2-CD1 3.53Å; V389-Y427 HydrophobicContact CG2-CE1 4.15Å; V389-Y427 HydrophobicContact CG2-CG 3.82Å; E394-Y427 WeakPolarHBondContact OE1-CE1 3.38Å; E394-Y427 PolarHBondContact OE1-OH 3.44Å; K423-Y427 WeakPolarHBondContact O-CB 3.39Å; K423-Y427 PolarHBondContact O-N 2.78Å; K423-Y427 VanDerWaalsContact O-N 3.11Å; V424-Y427 WeakPolarHBondContact O-CB 3.46Å; V424-Y427 PolarHBondContact O-N 3.28Å; L425-Y427 PolarHBondContact O-N 3.33Å; Y427-K429 VanDerWaalsContact C-N 3.34Å; Y427-K429 PolarHBondContact O-N 3.27Å; Y427-R430 VanDerWaalsContact CE2-NH2 3.26Å; Y427-R430 PolarHBondContact O-N 3.08Å; Y427-R430 VanDerWaalsContact O-N 3.12Å; Y427-E431 HydrophobicContact CD1-CG 4.03Å; Y427-E431 HydrophobicContact CE1-CG 3.6Å; Y427-E431 HydrophobicContact CE2-CG 4.17Å; Y427-E431 HydrophobicContact CG-CG 4.49Å; Y427-E431 WeakPolarHBondContact O-CG 3.38Å; Y427-E431 PolarHBondContact O-N 3.2Å
428Y98.7Very high97.7Very high0 Ų053.5 Ų53.50%025%0.248CC..Hα-helixtrans-59-43.3-179.6-70.2-47.4000112.7V389 N390 I393 I397 V410 Q413 L420 V424 L425 R430 E431 I432V389-Y428 HydrophobicContact CG1-CE1 3.95Å; N390-Y428 PolarHBondContact N-OH 3.44Å; I393-Y428 HydrophobicContact CB-CE1 4.14Å; I393-Y428 HydrophobicContact CG2-CD1 4.14Å; I393-Y428 HydrophobicContact CG2-CE1 3.59Å; I397-Y428 HydrophobicContact CD1-CD1 4.3Å; V410-Y428 HydrophobicContact CG1-CD2 3.79Å; V410-Y428 HydrophobicContact CG1-CE2 4.26Å; V410-Y428 HydrophobicContact CG1-CG 4.2Å; V410-Y428 HydrophobicContact CG2-CD1 4.12Å; V410-Y428 HydrophobicContact CG2-CD2 4.17Å; V410-Y428 HydrophobicContact CG2-CE1 4.27Å; V410-Y428 HydrophobicContact CG2-CE2 4.28Å; V410-Y428 HydrophobicContact CG2-CG 4.07Å; Q413-Y428 PolarHBondContact OE1-OH 3.23Å; L420-Y428 HydrophobicContact CD1-CD2 3.76Å; L420-Y428 HydrophobicContact CD1-CE2 3.89Å; V424-Y428 HydrophobicContact CG1-CD2 4.03Å; V424-Y428 HydrophobicContact CG1-CE2 3.66Å; V424-Y428 WeakPolarHBondContact O-CD2 3.29Å; V424-Y428 PolarHBondContact O-N 2.83Å; L425-Y428 PolarHBondContact O-N 3.07Å; Y428-R430 VanDerWaalsContact C-N 3.3Å; Y428-R430 PolarHBondContact O-N 3.01Å; Y428-E431 PolarHBondContact O-N 2.92Å; Y428-I432 VanDerWaalsContact O-CB 3.28Å; Y428-I432 WeakPolarHBondContact O-CB 3.44Å; Y428-I432 WeakPolarHBondContact O-CD1 3.48Å; Y428-I432 WeakPolarHBondContact O-CG1 3.26Å; Y428-I432 PolarHBondContact O-N 2.78Å
429K98.6Very high97.7Very high44 Ų4456.8 Ų56.819%0.19126%0.259CS..Hα-helixtrans-57.4-44.4177.3-73.3-175.4173.2-179.10111.1L425 Y427 L433 L444 E448L425-K429 HydrophobicContact CD1-CD 4.37Å; L425-K429 HydrophobicContact CD1-CG 4.36Å; L425-K429 HydrophobicContact CG-CD 4.15Å; L425-K429 HydrophobicContact CG-CG 4.48Å; L425-K429 WeakPolarHBondContact O-CB 3.13Å; L425-K429 WeakPolarHBondContact O-CG 3.3Å; L425-K429 PolarHBondContact O-N 2.96Å; Y427-K429 VanDerWaalsContact C-N 3.34Å; Y427-K429 PolarHBondContact O-N 3.27Å; K429-L433 WeakPolarHBondContact O-CB 3.16Å; K429-L433 WeakPolarHBondContact O-CD1 3.47Å; K429-L433 WeakPolarHBondContact O-CG 3.49Å; K429-L433 PolarHBondContact O-N 3.4Å; K429-L433 VanDerWaalsContact O-N 3.08Å; K429-L444 HydrophobicContact CB-CD1 4.27Å; K429-L444 HydrophobicContact CG-CD1 4.14Å; K429-E448 IonicContact NZ-OE2 2.73Å; K429-E448 PolarHBondContact NZ-OE2 3.47Å
430R98.6Very high97.6Very high102 Ų10257.9 Ų57.939%0.38526%0.264SS..Hα-helixtrans-65.5-51.1178.7-176-177.464-104.6-10.7111.9D426 Y427 Y428 I432 L433 Q434D426-R430 VanDerWaalsContact O-CB 3.27Å; D426-R430 WeakPolarHBondContact O-CB 3.46Å; D426-R430 PolarHBondContact O-N 3.43Å; Y427-R430 VanDerWaalsContact CE2-NH2 3.26Å; Y427-R430 PolarHBondContact O-N 3.08Å; Y427-R430 VanDerWaalsContact O-N 3.12Å; Y428-R430 VanDerWaalsContact C-N 3.3Å; Y428-R430 PolarHBondContact O-N 3.01Å; R430-I432 VanDerWaalsContact C-N 3.31Å; R430-I432 PolarHBondContact O-N 2.99Å; R430-L433 PolarHBondContact O-N 3.28Å; R430-Q434 HydrophobicContact CG-CG 4.34Å; R430-Q434 WeakPolarHBondContact O-CB 3.39Å; R430-Q434 WeakPolarHBondContact O-CG 3.49Å; R430-Q434 PolarHBondContact O-N 3.44Å
431E98.7Very high97.6Very high41 Ų4162.8 Ų62.819%0.19229%0.289CS..Hα-helixtrans-63.3-38.8-177.4-59.1-47.2123.300111.6I397 Y427 Y428 T435I397-E431 HydrophobicContact CD1-CB 4.22Å; I397-E431 HydrophobicContact CG2-CB 3.94Å; Y427-E431 HydrophobicContact CD1-CG 4.03Å; Y427-E431 HydrophobicContact CE1-CG 3.6Å; Y427-E431 HydrophobicContact CE2-CG 4.17Å; Y427-E431 HydrophobicContact CG-CG 4.49Å; Y427-E431 WeakPolarHBondContact O-CG 3.38Å; Y427-E431 PolarHBondContact O-N 3.2Å; Y428-E431 PolarHBondContact O-N 2.92Å; E431-T435 VanDerWaalsContact O-CB 3.27Å; E431-T435 WeakPolarHBondContact O-CB 3.46Å; E431-T435 PolarHBondContact O-N 2.7Å; E431-T435 VanDerWaalsContact O-N 3.11Å; E431-T435 PolarHBondContact O-OG1 2.86Å
432I98.5Very high97.6Very high1 Ų162.1 Ų62.11%0.00529%0.289CS..Hα-helixtrans-62.8-51.7175.3-70.6166.5000110.8I397 L403 V406 L407 Y428 R430 Q434 T435 Y436 L444I397-I432 HydrophobicContact CD1-CG1 4.08Å; L403-I432 HydrophobicContact CD1-CG2 3.76Å; V406-I432 HydrophobicContact CG1-CD1 4.04Å; V406-I432 HydrophobicContact CG1-CG1 4.02Å; L407-I432 HydrophobicContact CD2-CD1 4.1Å; Y428-I432 VanDerWaalsContact O-CB 3.28Å; Y428-I432 WeakPolarHBondContact O-CB 3.44Å; Y428-I432 WeakPolarHBondContact O-CD1 3.48Å; Y428-I432 WeakPolarHBondContact O-CG1 3.26Å; Y428-I432 PolarHBondContact O-N 2.78Å; R430-I432 VanDerWaalsContact C-N 3.31Å; R430-I432 PolarHBondContact O-N 2.99Å; I432-Q434 VanDerWaalsContact C-N 3.35Å; I432-Q434 PolarHBondContact O-N 3.37Å; I432-T435 PolarHBondContact O-N 3.32Å; I432-Y436 HydrophobicContact CB-CD2 4.49Å; I432-Y436 HydrophobicContact CG2-CD2 4.14Å; I432-Y436 WeakPolarHBondContact O-CB 3.2Å; I432-Y436 WeakPolarHBondContact O-CD2 3.33Å; I432-Y436 PolarHBondContact O-N 3.43Å; I432-L444 HydrophobicContact CD1-CD2 4.23Å; I432-L444 HydrophobicContact CG2-CD1 4.39Å; I432-L444 HydrophobicContact CG2-CD2 4.45Å
433L98.2Very high97.6Very high24 Ų2457.3 Ų57.313%0.12627%0.267CS..Hα-helixtrans-65.5-38-176.7-67.8170.6000112.3K429 R430 T435 G437 Y438 H440 I441 L444K429-L433 WeakPolarHBondContact O-CB 3.16Å; K429-L433 WeakPolarHBondContact O-CD1 3.47Å; K429-L433 WeakPolarHBondContact O-CG 3.49Å; K429-L433 PolarHBondContact O-N 3.4Å; K429-L433 VanDerWaalsContact O-N 3.08Å; R430-L433 PolarHBondContact O-N 3.28Å; L433-T435 VanDerWaalsContact C-N 3.35Å; L433-G437 CarbonylContact O-C 3.51Å; L433-G437 VanDerWaalsContact O-C 3.3Å; L433-G437 WeakPolarHBondContact O-CA 3.5Å; L433-G437 PolarHBondContact O-N 2.99Å; L433-G437 VanDerWaalsContact O-N 3.09Å; L433-Y438 HydrophobicContact CB-CD1 4.21Å; L433-Y438 HydrophobicContact CB-CE1 4.28Å; L433-H440 HydrophobicContact CD2-CB 4.28Å; L433-I441 HydrophobicContact CD2-CB 4.19Å; L433-L444 HydrophobicContact CD1-CD1 4.18Å; L433-L444 HydrophobicContact CD2-CD1 3.87Å; L433-L444 HydrophobicContact CG-CD1 3.83Å
434Q98.3Very high97.7Very high113 Ų11348.8 Ų48.853%0.52823%0.23SC..Hα-helixtrans-69-32.3178.3-72.7-179.9-5.900112.8R430 I432R430-Q434 HydrophobicContact CG-CG 4.34Å; R430-Q434 WeakPolarHBondContact O-CB 3.39Å; R430-Q434 WeakPolarHBondContact O-CG 3.49Å; R430-Q434 PolarHBondContact O-N 3.44Å; I432-Q434 VanDerWaalsContact C-N 3.35Å; I432-Q434 PolarHBondContact O-N 3.37Å
435T98.4Very high97.6Very high43 Ų4353.1 Ų53.126%0.26425%0.25SC..Hα-helixtrans-89.6-41.3-176.5-56.80000113.1I397 K400 E431 I432 L433I397-T435 HydrophobicContact CG2-CG2 4.23Å; I397-T435 WeakPolarHBondContact CG2-OG1 3.35Å; I397-T435 WeakPolarHBondContact O-CG2 3.49Å; K400-T435 HydrophobicContact CB-CG2 4.27Å; K400-T435 HydrophobicContact CG-CG2 4.07Å; E431-T435 VanDerWaalsContact O-CB 3.27Å; E431-T435 WeakPolarHBondContact O-CB 3.46Å; E431-T435 PolarHBondContact O-N 2.7Å; E431-T435 VanDerWaalsContact O-N 3.11Å; E431-T435 PolarHBondContact O-OG1 2.86Å; I432-T435 PolarHBondContact O-N 3.32Å; L433-T435 VanDerWaalsContact C-N 3.35Å
436Y97.5Very high97.6Very high30 Ų3054.1 Ų54.112%0.11826%0.255CS..Hα-helixtrans-104-17.8-170.7-63-80000114.1C396 I397 K400 H401 L403 V406 I432C396-Y436 PolarHBondContact O-OH 3.27Å; I397-Y436 HydrophobicContact CG1-CE2 4.39Å; I397-Y436 HydrophobicContact CG2-CE2 4.15Å; K400-Y436 HydrophobicContact CG-CE1 4.05Å; H401-Y436 PolarHBondContact N-OH 2.99Å; H401-Y436 WeakPolarHBondContact O-CE1 3.48Å; H401-Y436 PolarHBondContact O-OH 3.5Å; L403-Y436 HydrophobicContact CB-CD1 3.79Å; L403-Y436 HydrophobicContact CB-CE1 3.99Å; L403-Y436 HydrophobicContact CB-CG 4.2Å; L403-Y436 HydrophobicContact CD1-CD1 4.28Å; L403-Y436 HydrophobicContact CD1-CD2 3.76Å; L403-Y436 HydrophobicContact CD1-CE2 4.16Å; L403-Y436 HydrophobicContact CD1-CG 3.83Å; L403-Y436 HydrophobicContact CD2-CG 4.45Å; L403-Y436 HydrophobicContact CG-CD1 4.45Å; L403-Y436 HydrophobicContact CG-CG 4.37Å; V406-Y436 HydrophobicContact CG2-CE2 4.48Å; I432-Y436 HydrophobicContact CB-CD2 4.49Å; I432-Y436 HydrophobicContact CG2-CD2 4.14Å; I432-Y436 WeakPolarHBondContact O-CB 3.2Å; I432-Y436 WeakPolarHBondContact O-CD2 3.33Å; I432-Y436 PolarHBondContact O-N 3.43Å
437G96.5Very high97.6Very high17 Ų1750.7 Ų50.718%0.17524%0.237CC..  trans119.4149.3179.100000113.5L433 E439 H440L433-G437 CarbonylContact O-C 3.51Å; L433-G437 VanDerWaalsContact O-C 3.3Å; L433-G437 WeakPolarHBondContact O-CA 3.5Å; L433-G437 PolarHBondContact O-N 2.99Å; L433-G437 VanDerWaalsContact O-N 3.09Å; G437-E439 VanDerWaalsContact C-N 3.3Å; G437-E439 WeakPolarHBondContact CA-OE2 3.2Å; G437-E439 PolarHBondContact O-N 2.83Å; G437-H440 PolarHBondContact O-N 2.77Å
438Y96Very high97.5Very high153 Ų15351.1 Ų51.160%0.624%0.241SC*.G310 helixtrans-75.5-18.1-177.2-75.5-85.2000113.3L433 H440 I441L433-Y438 HydrophobicContact CB-CD1 4.21Å; L433-Y438 HydrophobicContact CB-CE1 4.28Å; Y438-H440 PolarHBondContact O-N 2.92Å; Y438-H440 VanDerWaalsContact O-N 3.15Å; Y438-I441 WeakPolarHBondContact O-CB 3.21Å; Y438-I441 WeakPolarHBondContact O-CG2 3.44Å; Y438-I441 PolarHBondContact O-N 3.44Å; Y438-I441 VanDerWaalsContact O-N 3.08Å
439E94.8Very high97.4Very high104 Ų10457 Ų5749%0.48627%0.266SS..G310 helixtrans-55-27171.360.1-91.7-141.500112.4G437 I441 P595G437-E439 VanDerWaalsContact C-N 3.3Å; G437-E439 WeakPolarHBondContact CA-OE2 3.2Å; G437-E439 PolarHBondContact O-N 2.83Å; E439-I441 PolarHBondContact O-N 2.93Å; E439-P595 HydrophobicContact CG-CB 4.49Å
440H96.7Very high97.3Very high24 Ų2455.1 Ų55.111%0.11126%0.259CS..G310 helixtrans-772.7178.7-65.9-59000114.4L403 L433 G437 Y438 L442 T443 L444L403-H440 VanDerWaalsContact CD2-CE1 3.45Å; L403-H440 WeakPolarHBondContact CD2-CE1 3.32Å; L403-H440 WeakPolarHBondContact CD2-NE2 3.15Å; L433-H440 HydrophobicContact CD2-CB 4.28Å; G437-H440 PolarHBondContact O-N 2.77Å; Y438-H440 PolarHBondContact O-N 2.92Å; Y438-H440 VanDerWaalsContact O-N 3.15Å; H440-L442 PolarHBondContact O-N 3.01Å; H440-T443 WeakPolarHBondContact O-CB 3.34Å; H440-T443 PolarHBondContact O-N 3.22Å; H440-T443 VanDerWaalsContact O-N 3.09Å; H440-L444 WeakPolarHBondContact O-CG 3.21Å; H440-L444 PolarHBondContact O-N 3.04Å
441I96.8Very high97.2Very high102 Ų10251 Ų5152%0.52325%0.248SC..Hα-helixtrans-58.5-38.5174.1-165168.8000112.1L433 Y438 E439 L444 H445L433-I441 HydrophobicContact CD2-CB 4.19Å; Y438-I441 WeakPolarHBondContact O-CB 3.21Å; Y438-I441 WeakPolarHBondContact O-CG2 3.44Å; Y438-I441 PolarHBondContact O-N 3.44Å; Y438-I441 VanDerWaalsContact O-N 3.08Å; E439-I441 PolarHBondContact O-N 2.93Å; I441-L444 PolarHBondContact O-N 3.14Å; I441-H445 WeakPolarHBondContact O-CB 3.41Å; I441-H445 PolarHBondContact O-N 3.39Å
442L95.8Very high97.1Very high77 Ų7749 Ų4940%0.40324%0.239SC..Hα-helixtrans-70.8-35.2176-64.3-179.2000111.6H440 H445 N446 E593H440-L442 PolarHBondContact O-N 3.01Å; L442-H445 PolarHBondContact O-N 2.89Å; L442-N446 WeakPolarHBondContact O-CB 3.43Å; L442-N446 PolarHBondContact O-N 3.27Å; L442-N446 PolarHBondContact O-OD1 2.79Å; L442-E593 HydrophobicContact CB-CB 4Å; L442-E593 HydrophobicContact CB-CG 4.29Å; L442-E593 HydrophobicContact CD1-CG 4.14Å
443T97.5Very high97.1Very high1 Ų149 Ų491%0.00624%0.238CC..Hα-helixtrans-60.6-48.3172.6-64.80000110.8L407 H440 H445 N446 L447 M592 E593L407-T443 HydrophobicContact CD1-CG2 3.92Å; H440-T443 WeakPolarHBondContact O-CB 3.34Å; H440-T443 PolarHBondContact O-N 3.22Å; H440-T443 VanDerWaalsContact O-N 3.09Å; T443-H445 VanDerWaalsContact C-N 3.31Å; T443-H445 PolarHBondContact O-N 3.41Å; T443-N446 WeakPolarHBondContact O-CB 3.43Å; T443-N446 PolarHBondContact O-N 3.37Å; T443-L447 HydrophobicContact CG2-CD1 4.35Å; T443-L447 WeakPolarHBondContact O-CG 3.06Å; T443-L447 PolarHBondContact O-N 2.87Å; T443-M592 HydrophobicContact CG2-CB 4.29Å; T443-M592 HydrophobicContact CG2-CG 3.7Å; T443-E593 PolarHBondContact OG1-N 3Å
444L98.2Very high97Very high6 Ų651.9 Ų51.93%0.03125%0.25CC..Hα-helixtrans-64.1-37.2178-65.5172.3000111.9L407 K429 I432 L433 H440 I441 L447 E448 L453L407-L444 HydrophobicContact CD2-CD2 3.93Å; K429-L444 HydrophobicContact CB-CD1 4.27Å; K429-L444 HydrophobicContact CG-CD1 4.14Å; I432-L444 HydrophobicContact CD1-CD2 4.23Å; I432-L444 HydrophobicContact CG2-CD1 4.39Å; I432-L444 HydrophobicContact CG2-CD2 4.45Å; L433-L444 HydrophobicContact CD1-CD1 4.18Å; L433-L444 HydrophobicContact CD2-CD1 3.87Å; L433-L444 HydrophobicContact CG-CD1 3.83Å; H440-L444 WeakPolarHBondContact O-CG 3.21Å; H440-L444 PolarHBondContact O-N 3.04Å; I441-L444 PolarHBondContact O-N 3.14Å; L444-L447 PolarHBondContact O-N 3.08Å; L444-E448 PolarHBondContact O-N 2.87Å; L444-L453 HydrophobicContact CD2-CD2 3.95Å
445H96.9Very high96.9Very high105 Ų10548 Ų4849%0.48624%0.235SC..Hα-helixtrans-63.9-42.8173.5-178.567.6000112.3I441 L442 T443 L447 E448 K449I441-H445 WeakPolarHBondContact O-CB 3.41Å; I441-H445 PolarHBondContact O-N 3.39Å; L442-H445 PolarHBondContact O-N 2.89Å; T443-H445 VanDerWaalsContact C-N 3.31Å; T443-H445 PolarHBondContact O-N 3.41Å; H445-L447 PolarHBondContact O-N 2.82Å; H445-E448 WeakPolarHBondContact O-CB 3.5Å; H445-E448 PolarHBondContact O-N 3.27Å; H445-K449 WeakPolarHBondContact O-CB 3.23Å; H445-K449 PolarHBondContact O-N 2.97Å
446N97.6Very high96.6Very high21 Ų2149.4 Ų49.411%0.11224%0.238CC..Hα-helixtrans-60.7-45175.8-73.4-9.6000111.1L165 L442 T443 E448 K449 A450 L591L165-N446 HydrophobicContact CD1-CB 3.77Å; L165-N446 VanDerWaalsContact CD2-O 3.32Å; L165-N446 WeakPolarHBondContact CD2-O 3.48Å; L442-N446 WeakPolarHBondContact O-CB 3.43Å; L442-N446 PolarHBondContact O-N 3.27Å; L442-N446 PolarHBondContact O-OD1 2.79Å; T443-N446 WeakPolarHBondContact O-CB 3.43Å; T443-N446 PolarHBondContact O-N 3.37Å; N446-E448 VanDerWaalsContact C-N 3.3Å; N446-E448 PolarHBondContact O-N 2.92Å; N446-K449 PolarHBondContact O-N 2.67Å; N446-A450 WeakPolarHBondContact O-CB 3.33Å; N446-A450 PolarHBondContact O-N 3Å; N446-L591 WeakPolarHBondContact CB-O 3.35Å; N446-L591 PolarHBondContact ND2-O 3.44Å
447L98.3Very high96Very high1 Ų153.2 Ų53.21%0.00527%0.265CS..Hα-helixtrans-63.4-35.5176.8-66172.7000112.6L407 T443 L444 H445 G451 L452 L453 I588 L591L407-L447 HydrophobicContact CB-CD1 4.39Å; L407-L447 HydrophobicContact CD1-CD1 4.16Å; L407-L447 HydrophobicContact CD2-CD1 3.74Å; L407-L447 HydrophobicContact CG-CD1 4.3Å; T443-L447 HydrophobicContact CG2-CD1 4.35Å; T443-L447 WeakPolarHBondContact O-CG 3.06Å; T443-L447 PolarHBondContact O-N 2.87Å; L444-L447 PolarHBondContact O-N 3.08Å; H445-L447 PolarHBondContact O-N 2.82Å; L447-G451 PolarHBondContact O-N 3.18Å; L447-L452 HydrophobicContact CD2-CB 4.39Å; L447-L452 HydrophobicContact CD2-CD1 3.8Å; L447-L452 PolarHBondContact O-N 2.69Å; L447-L453 HydrophobicContact CB-CB 3.94Å; L447-L453 PolarHBondContact O-N 3.3Å; L447-I588 HydrophobicContact CD2-CD1 3.85Å; L447-L591 HydrophobicContact CD2-CB 4.25Å; L447-L591 HydrophobicContact CD2-CD1 3.96Å
448E97.3Very high95Very high65 Ų6557 Ų5730%0.30430%0.303SS..Hα-helixtrans-66.6-47.4174.1-176.1169.8167.200111.8K429 L444 H445 N446 A450 G451 L453 K454K429-E448 IonicContact NZ-OE2 2.73Å; K429-E448 PolarHBondContact NZ-OE2 3.47Å; L444-E448 PolarHBondContact O-N 2.87Å; H445-E448 WeakPolarHBondContact O-CB 3.5Å; H445-E448 PolarHBondContact O-N 3.27Å; N446-E448 VanDerWaalsContact C-N 3.3Å; N446-E448 PolarHBondContact O-N 2.92Å; E448-A450 VanDerWaalsContact C-N 3.33Å; E448-A450 PolarHBondContact O-N 2.9Å; E448-G451 WeakPolarHBondContact O-CA 3.35Å; E448-G451 PolarHBondContact O-N 2.93Å; E448-L453 WeakPolarHBondContact CA-O 3.33Å; E448-L453 VanDerWaalsContact CB-O 3.25Å; E448-L453 WeakPolarHBondContact CB-O 3.35Å; E448-K454 HydrophobicContact CG-CB 4.47Å
449K96.2Very high94.1Very high124 Ų12452 Ų5254%0.53930%0.299SS..Hα-helixtrans-64.1-36.4177.9-172.9178.8-176-178.30112.4L165 H445 N446 G451L165-K449 HydrophobicContact CD2-CB 3.68Å; L165-K449 HydrophobicContact CD2-CD 3.9Å; L165-K449 HydrophobicContact CD2-CG 3.77Å; L165-K449 VanDerWaalsContact O-CE 3.28Å; L165-K449 WeakPolarHBondContact O-CE 3.42Å; L165-K449 PolarHBondContact O-NZ 2.87Å; H445-K449 WeakPolarHBondContact O-CB 3.23Å; H445-K449 PolarHBondContact O-N 2.97Å; N446-K449 PolarHBondContact O-N 2.67Å; K449-G451 PolarHBondContact O-N 3.13Å
450A96.6Very high93.7Very high4 Ų456.3 Ų56.33%0.03331%0.311CS..THydrogen-bonded Turntrans-70.6-7.8172.300000113.5F160 L165 N446 E448 L452F160-A450 HydrophobicContact CE1-CB 4.11Å; L165-A450 HydrophobicContact CD2-CB 3.99Å; N446-A450 WeakPolarHBondContact O-CB 3.33Å; N446-A450 PolarHBondContact O-N 3Å; E448-A450 VanDerWaalsContact C-N 3.33Å; E448-A450 PolarHBondContact O-N 2.9Å; A450-L452 VanDerWaalsContact C-N 3.29Å; A450-L452 HydrophobicContact CB-CD1 4.21Å; A450-L452 HydrophobicContact CB-CG 4.36Å; A450-L452 PolarHBondContact O-N 2.53Å
451G96.1Very high93.5Very high15 Ų1556.6 Ų56.616%0.15531%0.313CS..THydrogen-bonded Turntrans79.45.7-179.800000115.1L447 E448 K449L447-G451 PolarHBondContact O-N 3.18Å; E448-G451 WeakPolarHBondContact O-CA 3.35Å; E448-G451 PolarHBondContact O-N 2.93Å; K449-G451 PolarHBondContact O-N 3.13Å
452L98Very high93.3Very high0 Ų054.5 Ų54.50%030%0.303CS..SBendtrans-78.2-42.2-179.4-71.8168.1000112.2L236 L240 C411 S414 V415 L447 A450 W587 I588 L591L236-L452 HydrophobicContact CB-CD2 4Å; L236-L452 HydrophobicContact CD1-CD2 4.2Å; L236-L452 HydrophobicContact CD2-CD2 4.24Å; L236-L452 HydrophobicContact CG-CD2 4.39Å; L240-L452 HydrophobicContact CD1-CD2 4.05Å; C411-L452 HydrophobicContact CB-CB 4.11Å; S414-L452 WeakPolarHBondContact CB-O 3.41Å; S414-L452 PolarHBondContact OG-O 2.96Å; V415-L452 HydrophobicContact CG2-CD2 4.17Å; L447-L452 HydrophobicContact CD2-CB 4.39Å; L447-L452 HydrophobicContact CD2-CD1 3.8Å; L447-L452 PolarHBondContact O-N 2.69Å; A450-L452 VanDerWaalsContact C-N 3.29Å; A450-L452 HydrophobicContact CB-CD1 4.21Å; A450-L452 HydrophobicContact CB-CG 4.36Å; A450-L452 PolarHBondContact O-N 2.53Å; L452-W587 HydrophobicContact CD1-CH2 4.28Å; L452-W587 HydrophobicContact CD1-CZ2 4.16Å; L452-W587 HydrophobicContact CD2-CH2 3.6Å; L452-W587 HydrophobicContact CD2-CZ2 4.21Å; L452-W587 HydrophobicContact CD2-CZ3 4.01Å; L452-W587 HydrophobicContact CG-CH2 4.42Å; L452-I588 HydrophobicContact CD1-CD1 4.43Å; L452-L591 HydrophobicContact CD1-CD1 3.4Å; L452-L591 VanDerWaalsContact CD1-CD1 3.4Å
453L97.8Very high93.3Very high0 Ų051.4 Ų51.40%029%0.286CS..SBendtrans-12885.1-179.7-178.551.6000110.7V410 L420 L425 L444 L447 E448V410-L453 HydrophobicContact CG1-CD1 3.47Å; V410-L453 VanDerWaalsContact CG1-CD1 3.47Å; V410-L453 HydrophobicContact CG1-CD2 3.89Å; V410-L453 HydrophobicContact CG1-CG 4.29Å; L420-L453 HydrophobicContact CD1-CD1 3.77Å; L425-L453 HydrophobicContact CD1-CD1 3.45Å; L425-L453 VanDerWaalsContact CD1-CD1 3.45Å; L425-L453 HydrophobicContact CD1-CD2 4.4Å; L425-L453 HydrophobicContact CD1-CG 3.71Å; L444-L453 HydrophobicContact CD2-CD2 3.95Å; L447-L453 HydrophobicContact CB-CB 3.94Å; L447-L453 PolarHBondContact O-N 3.3Å; E448-L453 WeakPolarHBondContact CA-O 3.33Å; E448-L453 VanDerWaalsContact CB-O 3.25Å; E448-L453 WeakPolarHBondContact CB-O 3.35Å
454K95.8Very high93.3Very high84 Ų8454.2 Ų54.237%0.36530%0.304SS..  trans-125.4156.1-170.768-178.7179-170.70112.7S414 G419 L420 E448S414-K454 PolarHBondContact OG-N 3.12Å; G419-K454 CarbonylContact C-O 3.35Å; G419-K454 WeakPolarHBondContact CA-O 3.39Å; L420-K454 PolarHBondContact N-O 3.27Å; E448-K454 HydrophobicContact CG-CB 4.47Å
455P96.4Very high93.2Very high33 Ų3356.1 Ų56.121%0.21432%0.316CS..BIsolated β-bridgetrans-64.6144168.328.1-34.6000110.2L420 L425 T457L420-P455 CarbonylContact O-C 3.52Å; L420-P455 WeakPolarHBondContact O-CA 3.47Å; L425-P455 HydrophobicContact CD2-CB 4.02Å; L425-P455 HydrophobicContact CD2-CG 4.48Å; P455-T457 PolarHBondContact O-N 3.3Å
456Q93Very high93.3Very high71 Ų7151.9 Ų51.933%0.33230%0.297SS..  trans-65114.9167.4-175.5171.361.500108.4L420L420-Q456 PolarHBondContact O-N 2.94Å
457T84.1Confident93.3Very high110 Ų11054.2 Ų54.268%0.67530%0.304SS*.  trans-77.6150.9166.559.70000107.7P455 G459P455-T457 PolarHBondContact O-N 3.3Å; T457-G459 PolarHBondContact O-N 3.39Å
458G75.3Confident93.2Very high96 Ų9662.4 Ų62.499%0.9934%0.34SS*.SBendtrans-59.914.3-172.700000117.2
459G77.4Confident93.2Very high49 Ų4962.8 Ų62.851%0.50535%0.347SS..SBendtrans-75.8163.9168.300000113.3T457T457-G459 PolarHBondContact O-N 3.39Å
460R85.5Confident93.3Very high194 Ų19457 Ų5773%0.73232%0.322SS*.  trans-70.4137176.3-176.3178.4179.3175.40.7110.3N462R460-N462 PolarHBondContact O-N 3.38Å; R460-N462 VanDerWaalsContact O-N 3.1Å
461N92Very high93.4Very high31 Ų3165.9 Ų65.917%0.16635%0.354CS..  trans-62.9112.3165.8179.88.1000109.2C416 N417 S418 Y463C416-N461 PolarHBondContact O-ND2 3.25Å; C416-N461 VanDerWaalsContact O-ND2 3.14Å; N417-N461 WeakPolarHBondContact CA-ND2 3.27Å; N417-N461 PolarHBondContact OD1-ND2 3.14Å; S418-N461 PolarHBondContact OG-OD1 3Å; N461-Y463 WeakPolarHBondContact OD1-CB 3.48Å; N461-Y463 PolarHBondContact OD1-N 3.37Å
462N93.8Very high93.5Very high57 Ų5765.1 Ų65.131%0.30535%0.347SS..  trans-89.1-12.3-176.8-73.6-38.4000113.4R460 T465 I466 I517R460-N462 PolarHBondContact O-N 3.38Å; R460-N462 VanDerWaalsContact O-N 3.1Å; N462-T465 WeakPolarHBondContact O-CB 3.49Å; N462-T465 PolarHBondContact O-N 2.83Å; N462-I466 HydrophobicContact CB-CD1 4.28Å; N462-I466 WeakPolarHBondContact O-CG1 3.39Å; N462-I466 PolarHBondContact O-N 2.91Å; N462-I517 HydrophobicContact CB-CG2 3.49Å; N462-I517 VanDerWaalsContact CB-CG2 3.49Å
463Y96.2Very high93.5Very high13 Ų1367.3 Ų67.35%0.05136%0.355CS..Hα-helixtrans-55.3-43.2-177.5-179.9-113.9000113.4L237 M381 C416 N461 T465 I466 R467L237-Y463 HydrophobicContact CD2-CE2 3.58Å; L237-Y463 VanDerWaalsContact CD2-OH 3.29Å; L237-Y463 WeakPolarHBondContact CD2-OH 3.18Å; M381-Y463 VanDerWaalsContact O-CE1 3.3Å; M381-Y463 WeakPolarHBondContact O-CE1 3.32Å; M381-Y463 PolarHBondContact O-OH 3.41Å; C416-Y463 HydrophobicContact CB-CD1 4.18Å; C416-Y463 HydrophobicContact CB-CE1 4.23Å; C416-Y463 WeakPolarHBondContact O-CB 3.3Å; C416-Y463 VanDerWaalsContact O-CD1 3.3Å; C416-Y463 WeakPolarHBondContact O-CD1 3.43Å; N461-Y463 WeakPolarHBondContact OD1-CB 3.48Å; N461-Y463 PolarHBondContact OD1-N 3.37Å; Y463-T465 VanDerWaalsContact C-N 3.28Å; Y463-T465 PolarHBondContact O-N 2.95Å; Y463-I466 PolarHBondContact O-N 3.34Å; Y463-I466 VanDerWaalsContact O-N 3.17Å; Y463-R467 HydrophobicContact CE2-CB 4.39Å; Y463-R467 VanDerWaalsContact O-CB 3.3Å; Y463-R467 WeakPolarHBondContact O-CB 3.4Å; Y463-R467 PolarHBondContact O-N 2.98Å
464P96.7Very high93.4Very high60 Ų6070 Ų7039%0.3937%0.368SS..Hα-helixtrans-58.6-38175.4-26.135.7000113.5K468P464-K468 VanDerWaalsContact O-CB 3.32Å; P464-K468 WeakPolarHBondContact O-CB 3.45Å; P464-K468 PolarHBondContact O-N 2.9Å
465T96.5Very high93.3Very high45 Ų4572.5 Ų72.528%0.27639%0.385SS..Hα-helixtrans-67.8-45.1176.5-56.60000111N462 Y463 T469 I517N462-T465 WeakPolarHBondContact O-CB 3.49Å; N462-T465 PolarHBondContact O-N 2.83Å; Y463-T465 VanDerWaalsContact C-N 3.28Å; Y463-T465 PolarHBondContact O-N 2.95Å; T465-T469 VanDerWaalsContact O-CB 3.26Å; T465-T469 WeakPolarHBondContact O-CB 3.37Å; T465-T469 PolarHBondContact O-N 2.96Å; T465-T469 PolarHBondContact O-OG1 3.17Å; T465-I517 HydrophobicContact CG2-CD1 4.22Å
466I97.9Very high93Very high17 Ų1778.3 Ų78.39%0.08742%0.415CS..Hα-helixtrans-61.5-52.7177.9-65.2165.2000109.7N462 Y463 K468 T469 L470 L472 L495 V514 I517 L518N462-I466 HydrophobicContact CB-CD1 4.28Å; N462-I466 WeakPolarHBondContact O-CG1 3.39Å; N462-I466 PolarHBondContact O-N 2.91Å; Y463-I466 PolarHBondContact O-N 3.34Å; Y463-I466 VanDerWaalsContact O-N 3.17Å; I466-K468 VanDerWaalsContact C-N 3.33Å; I466-K468 PolarHBondContact O-N 3.2Å; I466-T469 PolarHBondContact O-N 3.01Å; I466-L470 HydrophobicContact CG2-CD1 3.84Å; I466-L470 WeakPolarHBondContact O-CB 3.49Å; I466-L470 PolarHBondContact O-N 2.79Å; I466-L472 HydrophobicContact CG2-CD1 3.93Å; I466-L495 HydrophobicContact CG2-CD1 3.72Å; I466-V514 HydrophobicContact CB-CG2 4.31Å; I466-V514 HydrophobicContact CG1-CG2 3.95Å; I466-V514 HydrophobicContact CG2-CG2 4.33Å; I466-I517 HydrophobicContact CD1-CG2 3.91Å; I466-I517 HydrophobicContact CG1-CG2 4.03Å; I466-L518 HydrophobicContact CD1-CD2 3.95Å; I466-L518 HydrophobicContact CG1-CD2 4.49Å; I466-L518 HydrophobicContact CG2-CD2 4.29Å
467R97.7Very high93.2Very high70 Ų7076.5 Ų76.526%0.26441%0.408SS..Hα-helixtrans-54.7-46.4179.3-177.9175.568.185.7-8.7112M381 S382 Y463 R471 L472 W473M381-R467 WeakPolarHBondContact O-CD 3.39Å; S382-R467 PolarHBondContact O-NE 3.13Å; S382-R467 VanDerWaalsContact O-NE 3.16Å; S382-R467 PolarHBondContact O-NH2 3.2Å; Y463-R467 HydrophobicContact CE2-CB 4.39Å; Y463-R467 VanDerWaalsContact O-CB 3.3Å; Y463-R467 WeakPolarHBondContact O-CB 3.4Å; Y463-R467 PolarHBondContact O-N 2.98Å; R467-R471 VanDerWaalsContact O-CA 3.32Å; R467-R471 WeakPolarHBondContact O-CA 3.29Å; R467-R471 PolarHBondContact O-N 2.86Å; R467-L472 HydrophobicContact CG-CB 4.21Å; R467-L472 PolarHBondContact O-N 2.9Å; R467-W473 HydrophobicContact CG-CB 4.04Å
468K97.5Very high93.8Very high173 Ų17375.2 Ų75.275%0.75240%0.398SS*.Hα-helixtrans-68.1-49.5178.8-176.2177.7179177.60112.2P464 I466 L470 R471P464-K468 VanDerWaalsContact O-CB 3.32Å; P464-K468 WeakPolarHBondContact O-CB 3.45Å; P464-K468 PolarHBondContact O-N 2.9Å; I466-K468 VanDerWaalsContact C-N 3.33Å; I466-K468 PolarHBondContact O-N 3.2Å; K468-L470 PolarHBondContact O-N 2.81Å; K468-R471 PolarHBondContact O-N 3.37Å
469T97.6Very high94.7Very high73 Ų7373 Ų7345%0.44836%0.361SS..Hα-helixtrans-65.2-42-175-55.50000111.6T465 I466 V514T465-T469 VanDerWaalsContact O-CB 3.26Å; T465-T469 WeakPolarHBondContact O-CB 3.37Å; T465-T469 PolarHBondContact O-N 2.96Å; T465-T469 PolarHBondContact O-OG1 3.17Å; I466-T469 PolarHBondContact O-N 3.01Å; T469-V514 HydrophobicContact CG2-CB 4.06Å; T469-V514 HydrophobicContact CG2-CG1 3.86Å
470L98Very high95.6Very high3 Ų376 Ų762%0.01636%0.362CS..THydrogen-bonded Turntrans-90.40.7-179.5-61.3-178.1000113.1I466 K468 L472 L495 R498 L499 L502 I511 V514I466-L470 HydrophobicContact CG2-CD1 3.84Å; I466-L470 WeakPolarHBondContact O-CB 3.49Å; I466-L470 PolarHBondContact O-N 2.79Å; K468-L470 PolarHBondContact O-N 2.81Å; L470-L472 VanDerWaalsContact C-N 3.33Å; L470-L472 HydrophobicContact CB-CD1 4.43Å; L470-L472 HydrophobicContact CB-CD2 3.6Å; L470-L472 HydrophobicContact CB-CG 3.8Å; L470-L472 HydrophobicContact CD1-CD2 4.43Å; L470-L472 PolarHBondContact O-N 2.88Å; L470-L495 HydrophobicContact CD1-CD2 4.36Å; L470-L495 HydrophobicContact CD1-CG 4.01Å; L470-R498 HydrophobicContact CB-CG 4.13Å; L470-R498 VanDerWaalsContact O-CD 3.31Å; L470-R498 WeakPolarHBondContact O-CD 3.12Å; L470-R498 VanDerWaalsContact O-CG 3.25Å; L470-R498 WeakPolarHBondContact O-CG 3.31Å; L470-R498 PolarHBondContact O-NE 3.1Å; L470-L499 HydrophobicContact CD1-CD2 4.19Å; L470-L499 HydrophobicContact CD2-CD2 4.4Å; L470-L502 HydrophobicContact CD2-CD1 3.66Å; L470-I511 HydrophobicContact CD2-CD1 4.14Å; L470-I511 HydrophobicContact CD2-CG2 4.44Å; L470-V514 HydrophobicContact CD1-CG2 4.16Å; L470-V514 HydrophobicContact CD2-CG1 3.75Å; L470-V514 HydrophobicContact CD2-CG2 4.5Å; L470-V514 HydrophobicContact CG-CG1 4.24Å; L470-V514 HydrophobicContact CG-CG2 4.09Å
471R97.7Very high96.1Very high189 Ų18972 Ų7271%0.71336%0.355SS*.THydrogen-bonded Turntrans49.253.6-176.7-56.1-177.6-178.1-168.8-0.5111.7R467 K468 W473 R498R467-R471 VanDerWaalsContact O-CA 3.32Å; R467-R471 WeakPolarHBondContact O-CA 3.29Å; R467-R471 PolarHBondContact O-N 2.86Å; K468-R471 PolarHBondContact O-N 3.37Å; R471-W473 VanDerWaalsContact C-N 3.26Å; R471-W473 PolarHBondContact O-N 3.19Å; R471-R498 PolarHBondContact O-NH2 3.43Å
472L98.3Very high96.3Very high0 Ų072.1 Ų72.10%036%0.358CS..  trans-79.5-8.7-177.5-54.8-177.9000113.3I466 R467 L470 Y492 A493 L495 R498I466-L472 HydrophobicContact CG2-CD1 3.93Å; R467-L472 HydrophobicContact CG-CB 4.21Å; R467-L472 PolarHBondContact O-N 2.9Å; L470-L472 VanDerWaalsContact C-N 3.33Å; L470-L472 HydrophobicContact CB-CD1 4.43Å; L470-L472 HydrophobicContact CB-CD2 3.6Å; L470-L472 HydrophobicContact CB-CG 3.8Å; L470-L472 HydrophobicContact CD1-CD2 4.43Å; L470-L472 PolarHBondContact O-N 2.88Å; L472-Y492 HydrophobicContact CB-CD2 4.25Å; L472-Y492 HydrophobicContact CB-CE2 3.82Å; L472-Y492 HydrophobicContact CD1-CE2 4.31Å; L472-Y492 CarbonylContact O-C 3.52Å; L472-Y492 VanDerWaalsContact O-CA 3.3Å; L472-Y492 WeakPolarHBondContact O-CA 3.11Å; L472-Y492 WeakPolarHBondContact O-CD2 3.2Å; L472-A493 WeakPolarHBondContact CD2-O 3.43Å; L472-A493 PolarHBondContact O-N 3.18Å; L472-L495 HydrophobicContact CD1-CB 3.94Å; L472-L495 HydrophobicContact CD1-CD1 3.84Å; L472-L495 HydrophobicContact CD1-CG 3.94Å; L472-L495 HydrophobicContact CD2-CB 4.15Å; L472-L495 HydrophobicContact CD2-CG 4.4Å; L472-R498 HydrophobicContact CD2-CB 4.02Å; L472-R498 HydrophobicContact CD2-CG 4.13Å
473W97.8Very high96.4Very high45 Ų4575.1 Ų75.117%0.1738%0.378CS..BIsolated β-bridgetrans-128.7137.1179.6-172.8-93.4000110.6Q378 M381 R467 R471 D475 G491Q378-W473 HydrophobicContact CB-CH2 3.85Å; Q378-W473 HydrophobicContact CG-CH2 4.09Å; M381-W473 HydrophobicContact CB-CE3 4.26Å; M381-W473 HydrophobicContact CB-CZ3 3.88Å; R467-W473 HydrophobicContact CG-CB 4.04Å; R471-W473 VanDerWaalsContact C-N 3.26Å; R471-W473 PolarHBondContact O-N 3.19Å; W473-D475 PolarHBondContact NE1-OD1 3.46Å; W473-G491 CarbonylContact C-O 3.55Å; W473-G491 WeakPolarHBondContact CA-O 3.42Å
474M96.3Very high96.4Very high57 Ų5775.4 Ų75.428%0.28138%0.381SS..  trans-134.9127.4174.4-71.5-172.356.500109.4V477 D484 S486 G491M474-V477 HydrophobicContact CB-CG2 3.84Å; M474-D484 HydrophobicContact CE-CB 4.29Å; M474-D484 HydrophobicContact SD-CB 3.51Å; M474-D484 VanDerWaalsContact SD-CB 3.51Å; M474-S486 PolarHBondContact SD-OG 2.84Å; M474-S486 VanDerWaalsContact SD-OG 3.33Å; M474-G491 PolarHBondContact N-O 3Å; M474-G491 VanDerWaalsContact O-CA 3.27Å; M474-G491 WeakPolarHBondContact O-CA 3.41Å
475D92.7Very high96.4Very high136 Ų13672.6 Ų72.673%0.72736%0.363SS*.SBendtrans-78.6-40.9-179.2-57.2-62.6000111.9W473 V477W473-D475 PolarHBondContact NE1-OD1 3.46Å; D475-V477 PolarHBondContact O-N 3.08Å
476D92Very high96.5Very high155 Ų15570.5 Ų70.583%0.82935%0.35SS*.SBendtrans-100.470.4-174.4-61.7-49.1000112.6
477V95.7Very high96.5Very high33 Ų3370.1 Ų70.120%0.235%0.347CS..  trans-88.3122.5178.7176.50000111.5M474 D475 E479M474-V477 HydrophobicContact CB-CG2 3.84Å; D475-V477 PolarHBondContact O-N 3.08Å; V477-E479 HydrophobicContact CG1-CG 4.32Å; V477-E479 PolarHBondContact O-N 2.87Å
478N96.3Very high96.6Very high84 Ų8466.8 Ų66.845%0.44934%0.335SS..  trans-87.998.7168.7-172.8-24.4000110.5Q480 N481 P482N478-Q480 VanDerWaalsContact C-N 3.29Å; N478-Q480 PolarHBondContact O-N 2.99Å; N478-Q480 PolarHBondContact OD1-N 3.43Å; N478-Q480 VanDerWaalsContact OD1-N 3.14Å; N478-N481 CarbonylContact O-C 3.56Å; N478-N481 PolarHBondContact O-N 3.49Å; N478-N481 PolarHBondContact OD1-N 3.35Å; N478-P482 WeakPolarHBondContact O-CA 3.41Å
479E96.1Very high96.6Very high49 Ų4958.6 Ų58.623%0.22930%0.299CS..SBendtrans-68-25.9-177-63.5166.7153.300113.9N303 N305 V477 S490N303-E479 HydrophobicContact CB-CB 4Å; N303-E479 HydrophobicContact CB-CG 4.45Å; N305-E479 HydrophobicContact CB-CB 4.38Å; N305-E479 WeakPolarHBondContact CB-OE2 3.25Å; N305-E479 PolarHBondContact ND2-OE2 3.47Å; V477-E479 HydrophobicContact CG1-CG 4.32Å; V477-E479 PolarHBondContact O-N 2.87Å; E479-S490 WeakPolarHBondContact OE1-CB 3.24Å; E479-S490 PolarHBondContact OE1-OG 3.37Å
480Q95.4Very high96.6Very high111 Ų11156.2 Ų56.252%0.51929%0.286SS..SBendtrans-79.2-36.8178.3-65.3-165.814.700112.3A306 N478A306-Q480 HydrophobicContact CB-CG 4.46Å; N478-Q480 VanDerWaalsContact C-N 3.29Å; N478-Q480 PolarHBondContact O-N 2.99Å; N478-Q480 PolarHBondContact OD1-N 3.43Å; N478-Q480 VanDerWaalsContact OD1-N 3.14Å
481N95.4Very high96.6Very high110 Ų11056.1 Ų56.159%0.58829%0.285SS*.SBendtrans-134.273.4-179.2-58.9-75.2000109.2N478N478-N481 CarbonylContact O-C 3.56Å; N478-N481 PolarHBondContact O-N 3.49Å; N478-N481 PolarHBondContact OD1-N 3.35Å
482P96.7Very high96.6Very high35 Ų3547.1 Ų47.123%0.22725%0.251CS..  trans-71.8144-173.529-35.7000112.1N478 Y487 F563N478-P482 WeakPolarHBondContact O-CA 3.41Å; P482-Y487 HydrophobicContact CB-CD1 3.78Å; P482-Y487 HydrophobicContact CB-CD2 4.08Å; P482-Y487 HydrophobicContact CB-CG 3.46Å; P482-Y487 VanDerWaalsContact CB-CG 3.46Å; P482-Y487 HydrophobicContact CG-CD1 4.06Å; P482-Y487 HydrophobicContact CG-CD2 3.9Å; P482-Y487 HydrophobicContact CG-CE1 4.46Å; P482-Y487 HydrophobicContact CG-CE2 4.36Å; P482-Y487 HydrophobicContact CG-CG 3.76Å; P482-F563 HydrophobicContact CB-CE2 4.35Å; P482-F563 HydrophobicContact CG-CD2 4.47Å; P482-F563 HydrophobicContact CG-CE2 3.91Å; P482-F563 WeakPolarHBondContact O-CZ 3.46Å
483T95.1Very high96.7Very high119 Ų11947.1 Ų47.173%0.7325%0.251SS*.SBendtrans-111.4-7.8177.454.90000113
484D96.8Very high96.7Very high20 Ų2045 Ų4511%0.10724%0.243CC..SBendtrans-145.8157179.7-17775.6000109.4M474 S486 Y487 R498M474-D484 HydrophobicContact CE-CB 4.29Å; M474-D484 HydrophobicContact SD-CB 3.51Å; M474-D484 VanDerWaalsContact SD-CB 3.51Å; D484-S486 PolarHBondContact O-N 2.59Å; D484-S486 VanDerWaalsContact O-N 3.1Å; D484-S486 WeakPolarHBondContact OD2-CB 3.25Å; D484-S486 PolarHBondContact OD2-N 3.05Å; D484-S486 PolarHBondContact OD2-OG 2.99Å; D484-Y487 VanDerWaalsContact O-CD1 3.27Å; D484-Y487 WeakPolarHBondContact O-CD1 3.19Å; D484-Y487 PolarHBondContact O-N 3.36Å; D484-R498 VanDerWaalsContact CG-NH2 3.33Å; D484-R498 IonicContact OD1-CZ 2.76Å; D484-R498 IonicContact OD1-NH1 2.82Å; D484-R498 PolarHBondContact OD1-NH1 3.13Å; D484-R498 IonicContact OD1-NH2 3.55Å; D484-R498 PolarHBondContact OD1-NH2 3.27Å; D484-R498 IonicContact OD2-CZ 3.76Å; D484-R498 IonicContact OD2-NH2 3.2Å; D484-R498 PolarHBondContact OD2-NH2 2.78Å
485I97.9Very high96.8Very high0 Ų042.7 Ų42.70%023%0.232CC..G310 helixtrans-61.6-12.7178.453.8170.5000114.3Y487 V488 A493 V497 R498 A560 F563 L564I485-Y487 PolarHBondContact O-N 3.45Å; I485-Y487 VanDerWaalsContact O-N 3.11Å; I485-V488 WeakPolarHBondContact O-CG2 3.42Å; I485-V488 PolarHBondContact O-N 2.86Å; I485-A493 HydrophobicContact CD1-CB 4.07Å; I485-A493 HydrophobicContact CG1-CB 3.79Å; I485-V497 HydrophobicContact CD1-CB 4.08Å; I485-V497 HydrophobicContact CD1-CG1 3.82Å; I485-V497 HydrophobicContact CG2-CG1 4.37Å; I485-R498 HydrophobicContact CD1-CB 4.28Å; I485-A560 HydrophobicContact CB-CB 3.95Å; I485-A560 HydrophobicContact CG2-CB 3.91Å; I485-F563 HydrophobicContact CG2-CD1 3.78Å; I485-F563 HydrophobicContact CG2-CE1 4.4Å; I485-L564 HydrophobicContact CG2-CD1 4.14Å; I485-L564 HydrophobicContact CG2-CD2 3.67Å; I485-L564 HydrophobicContact CG2-CG 3.63Å
486S98.2Very high97.1Very high2 Ų236.3 Ų36.31%0.01420%0.198CC..G310 helixtrans-58.5-17.8174.855.60000115.1M474 D484 V488 Y489 S490 G491 Y492M474-S486 PolarHBondContact SD-OG 2.84Å; M474-S486 VanDerWaalsContact SD-OG 3.33Å; D484-S486 PolarHBondContact O-N 2.59Å; D484-S486 VanDerWaalsContact O-N 3.1Å; D484-S486 WeakPolarHBondContact OD2-CB 3.25Å; D484-S486 PolarHBondContact OD2-N 3.05Å; D484-S486 PolarHBondContact OD2-OG 2.99Å; S486-V488 PolarHBondContact O-N 2.75Å; S486-Y489 PolarHBondContact O-N 3.05Å; S486-S490 PolarHBondContact O-N 3.18Å; S486-S490 VanDerWaalsContact O-N 3.12Å; S486-G491 WeakPolarHBondContact CB-O 3.47Å; S486-G491 PolarHBondContact O-N 2.55Å; S486-Y492 WeakPolarHBondContact CA-O 3.1Å
487Y98.5Very high97.4Very high8 Ų829 Ų293%0.03116%0.159CC..G310 helixtrans-62.6-24.6179.286.4-81.2000114.8T245 D301 N303 P482 D484 I485 Y489 S490 F563T245-Y487 HydrophobicContact CG2-CE2 4.48Å; D301-Y487 WeakPolarHBondContact O-CE2 3.26Å; D301-Y487 PolarHBondContact O-OH 3.15Å; N303-Y487 HydrophobicContact CB-CD2 3.95Å; N303-Y487 PolarHBondContact ND2-O 3.31Å; P482-Y487 HydrophobicContact CB-CD1 3.78Å; P482-Y487 HydrophobicContact CB-CD2 4.08Å; P482-Y487 HydrophobicContact CB-CG 3.46Å; P482-Y487 VanDerWaalsContact CB-CG 3.46Å; P482-Y487 HydrophobicContact CG-CD1 4.06Å; P482-Y487 HydrophobicContact CG-CD2 3.9Å; P482-Y487 HydrophobicContact CG-CE1 4.46Å; P482-Y487 HydrophobicContact CG-CE2 4.36Å; P482-Y487 HydrophobicContact CG-CG 3.76Å; D484-Y487 VanDerWaalsContact O-CD1 3.27Å; D484-Y487 WeakPolarHBondContact O-CD1 3.19Å; D484-Y487 PolarHBondContact O-N 3.36Å; I485-Y487 PolarHBondContact O-N 3.45Å; I485-Y487 VanDerWaalsContact O-N 3.11Å; Y487-Y489 PolarHBondContact O-N 3.45Å; Y487-S490 PolarHBondContact O-N 3.07Å; Y487-F563 HydrophobicContact CE1-CB 3.94Å; Y487-F563 HydrophobicContact CE1-CD1 4.28Å; Y487-F563 AromaticContact CE1-CD2 3.91Å; Y487-F563 HydrophobicContact CE1-CD2 3.91Å; Y487-F563 AromaticContact CE1-CG 3.77Å; Y487-F563 HydrophobicContact CE1-CG 3.77Å
488V98.6Very high97.5Very high0 Ų028.2 Ų28.20%015%0.152CC..G310 helixtrans-69.1-17.9-178.6-60.80000113.1L244 T245 I485 S486 P494 A556 A559 A560L244-V488 WeakPolarHBondContact CB-O 3.28Å; L244-V488 PolarHBondContact N-O 3.36Å; T245-V488 HydrophobicContact CG2-CB 3.79Å; T245-V488 HydrophobicContact CG2-CG1 3.69Å; I485-V488 WeakPolarHBondContact O-CG2 3.42Å; I485-V488 PolarHBondContact O-N 2.86Å; S486-V488 PolarHBondContact O-N 2.75Å; V488-P494 HydrophobicContact CG2-CG 3.76Å; V488-A556 HydrophobicContact CB-CB 4.14Å; V488-A556 HydrophobicContact CG2-CB 4.33Å; V488-A559 HydrophobicContact CG1-CB 4.22Å; V488-A560 HydrophobicContact CG1-CB 4.08Å; V488-A560 HydrophobicContact CG2-CB 4.32Å
489Y98.4Very high97.6Very high2 Ų224.2 Ų24.21%0.00813%0.131CC..G310 helixtrans-129.118.2173.5-65.9-84.6000112.3T238 A241 T242 Q243 S486 Y487 G491 Y492 P494 A556T238-Y489 HydrophobicContact CG2-CE2 3.92Å; T238-Y489 VanDerWaalsContact CG2-OH 3.32Å; T238-Y489 WeakPolarHBondContact CG2-OH 3.49Å; T238-Y489 PolarHBondContact O-OH 3.38Å; T238-Y489 VanDerWaalsContact O-OH 3.08Å; A241-Y489 HydrophobicContact CB-CD1 3.79Å; A241-Y489 HydrophobicContact CB-CE1 3.64Å; T242-Y489 WeakPolarHBondContact O-CD1 3.16Å; T242-Y489 WeakPolarHBondContact O-CE1 3.42Å; Q243-Y489 HydrophobicContact CG-CE1 4.25Å; S486-Y489 PolarHBondContact O-N 3.05Å; Y487-Y489 PolarHBondContact O-N 3.45Å; Y489-G491 VanDerWaalsContact C-N 3.26Å; Y489-G491 PolarHBondContact O-N 2.97Å; Y489-Y492 HydrophobicContact CD2-CD1 4.07Å; Y489-Y492 HydrophobicContact CG-CD1 4.31Å; Y489-P494 HydrophobicContact CD2-CG 3.96Å; Y489-P494 HydrophobicContact CE2-CG 3.68Å; Y489-A556 HydrophobicContact CE1-CB 4.43Å; Y489-A556 HydrophobicContact CE2-CB 3.6Å; Y489-A556 WeakPolarHBondContact OH-CB 3.4Å
490S97.6Very high97.7Very high23 Ų2321.9 Ų21.916%0.16112%0.12CC..THydrogen-bonded Turntrans5042.9179.2-59.10000114.1L244 N303 E479 S486 Y487L244-S490 WeakPolarHBondContact CD1-OG 3.43Å; N303-S490 PolarHBondContact ND2-OG 2.84Å; E479-S490 WeakPolarHBondContact OE1-CB 3.24Å; E479-S490 PolarHBondContact OE1-OG 3.37Å; S486-S490 PolarHBondContact O-N 3.18Å; S486-S490 VanDerWaalsContact O-N 3.12Å; Y487-S490 PolarHBondContact O-N 3.07Å
491G97.4Very high97.8Very high0 Ų018.9 Ų18.90%011%0.106CC..THydrogen-bonded Turntrans150-38.1177.400000112.9W473 M474 S486 Y489W473-G491 CarbonylContact C-O 3.55Å; W473-G491 WeakPolarHBondContact CA-O 3.42Å; M474-G491 PolarHBondContact N-O 3Å; M474-G491 VanDerWaalsContact O-CA 3.27Å; M474-G491 WeakPolarHBondContact O-CA 3.41Å; S486-G491 WeakPolarHBondContact CB-O 3.47Å; S486-G491 PolarHBondContact O-N 2.55Å; Y489-G491 VanDerWaalsContact C-N 3.26Å; Y489-G491 PolarHBondContact O-N 2.97Å
492Y98.5Very high97.9Very high0 Ų015 Ų150%09%0.085CC..BIsolated β-bridgetrans-92.7122.5-179.3178.9-101.3000112.7L237 T238 M381 L472 S486 Y489 L495L237-Y492 HydrophobicContact CD2-CD2 4.37Å; L237-Y492 HydrophobicContact CD2-CE2 3.53Å; T238-Y492 WeakPolarHBondContact OG1-CE1 3.42Å; T238-Y492 PolarHBondContact OG1-OH 3.3Å; M381-Y492 HydrophobicContact CB-CD2 4.46Å; M381-Y492 HydrophobicContact SD-CD1 4.05Å; M381-Y492 HydrophobicContact SD-CD2 4.24Å; M381-Y492 HydrophobicContact SD-CG 3.78Å; L472-Y492 HydrophobicContact CB-CD2 4.25Å; L472-Y492 HydrophobicContact CB-CE2 3.82Å; L472-Y492 HydrophobicContact CD1-CE2 4.31Å; L472-Y492 CarbonylContact O-C 3.52Å; L472-Y492 VanDerWaalsContact O-CA 3.3Å; L472-Y492 WeakPolarHBondContact O-CA 3.11Å; L472-Y492 WeakPolarHBondContact O-CD2 3.2Å; S486-Y492 WeakPolarHBondContact CA-O 3.1Å; Y489-Y492 HydrophobicContact CD2-CD1 4.07Å; Y489-Y492 HydrophobicContact CG-CD1 4.31Å; Y492-L495 PolarHBondContact OH-N 3.37Å
493A98.6Very high97.8Very high0 Ų014.3 Ų14.30%08%0.079CC..PPolyproline II helixtrans-87.8122.1170.700000109.7L472 I485 L495L472-A493 WeakPolarHBondContact CD2-O 3.43Å; L472-A493 PolarHBondContact O-N 3.18Å; I485-A493 HydrophobicContact CD1-CB 4.07Å; I485-A493 HydrophobicContact CG1-CB 3.79Å; A493-L495 PolarHBondContact O-N 3.04Å
494P98.7Very high97.7Very high0 Ų010.5 Ų10.50%06%0.058CC..PPolyproline II helixtrans-53.4123.8179.3-30.438.9000112.1T238 V488 Y489 S496 V497 R498 E557T238-P494 HydrophobicContact CG2-CB 3.86Å; T238-P494 HydrophobicContact CG2-CG 4.17Å; V488-P494 HydrophobicContact CG2-CG 3.76Å; Y489-P494 HydrophobicContact CD2-CG 3.96Å; Y489-P494 HydrophobicContact CE2-CG 3.68Å; P494-S496 VanDerWaalsContact C-N 3.3Å; P494-S496 PolarHBondContact O-N 3Å; P494-V497 HydrophobicContact CB-CB 4.01Å; P494-V497 HydrophobicContact CB-CG2 3.81Å; P494-V497 HydrophobicContact CG-CG2 4.44Å; P494-V497 PolarHBondContact O-N 3.49Å; P494-V497 VanDerWaalsContact O-N 3.17Å; P494-R498 WeakPolarHBondContact O-CB 3.09Å; P494-R498 PolarHBondContact O-N 3.24Å; P494-E557 HydrophobicContact CB-CG 3.99Å; P494-E557 HydrophobicContact CG-CG 4.4Å
495L98.7Very high97.3Very high9 Ų918 Ų185%0.0478%0.084CC..Hα-helixtrans-58.1-46.9-176.5-174.3165.5000110.5V234 D235 I466 L470 L472 Y492 A493 V497 R498 L499 L518V234-L495 HydrophobicContact CG1-CD2 4.18Å; D235-L495 HydrophobicContact CB-CB 4.02Å; D235-L495 HydrophobicContact CB-CD2 4.12Å; D235-L495 HydrophobicContact CB-CG 4.47Å; D235-L495 WeakPolarHBondContact OD2-CB 3.44Å; D235-L495 PolarHBondContact OD2-N 2.99Å; I466-L495 HydrophobicContact CG2-CD1 3.72Å; L470-L495 HydrophobicContact CD1-CD2 4.36Å; L470-L495 HydrophobicContact CD1-CG 4.01Å; L472-L495 HydrophobicContact CD1-CB 3.94Å; L472-L495 HydrophobicContact CD1-CD1 3.84Å; L472-L495 HydrophobicContact CD1-CG 3.94Å; L472-L495 HydrophobicContact CD2-CB 4.15Å; L472-L495 HydrophobicContact CD2-CG 4.4Å; Y492-L495 PolarHBondContact OH-N 3.37Å; A493-L495 PolarHBondContact O-N 3.04Å; L495-V497 VanDerWaalsContact C-N 3.31Å; L495-V497 PolarHBondContact O-N 3.5Å; L495-R498 PolarHBondContact O-N 3.17Å; L495-L499 HydrophobicContact CD2-CD1 3.58Å; L495-L499 HydrophobicContact CD2-CG 3.84Å; L495-L499 WeakPolarHBondContact O-CG 3.35Å; L495-L499 PolarHBondContact O-N 3Å; L495-L518 HydrophobicContact CD1-CD2 3.9Å; L495-L518 HydrophobicContact CD2-CD1 4.1Å; L495-L518 HydrophobicContact CD2-CD2 4.18Å
496S98.6Very high97.1Very high3 Ų322.8 Ų22.82%0.02112%0.115CC..Hα-helixtrans-54.8-43.9177.865.30000112.9D235 P494 L499 A500 E557D235-S496 PolarHBondContact OD2-N 2.88Å; P494-S496 VanDerWaalsContact C-N 3.3Å; P494-S496 PolarHBondContact O-N 3Å; S496-L499 WeakPolarHBondContact O-CB 3.47Å; S496-L499 PolarHBondContact O-N 3.07Å; S496-A500 PolarHBondContact O-N 3.07Å; S496-A500 VanDerWaalsContact O-N 3.17Å; S496-E557 WeakPolarHBondContact CB-OE1 3.4Å; S496-E557 PolarHBondContact OG-OE1 3.41Å
497V98.6Very high96.9Very high0 Ų023.6 Ų23.60%012%0.124CC..Hα-helixtrans-73.9-36.8-179.7-177.50000110.9I485 P494 L495 L499 A500 Q501 E557 A560 L561 L564I485-V497 HydrophobicContact CD1-CB 4.08Å; I485-V497 HydrophobicContact CD1-CG1 3.82Å; I485-V497 HydrophobicContact CG2-CG1 4.37Å; P494-V497 HydrophobicContact CB-CB 4.01Å; P494-V497 HydrophobicContact CB-CG2 3.81Å; P494-V497 HydrophobicContact CG-CG2 4.44Å; P494-V497 PolarHBondContact O-N 3.49Å; P494-V497 VanDerWaalsContact O-N 3.17Å; L495-V497 VanDerWaalsContact C-N 3.31Å; L495-V497 PolarHBondContact O-N 3.5Å; V497-L499 VanDerWaalsContact C-N 3.3Å; V497-L499 PolarHBondContact O-N 2.96Å; V497-A500 WeakPolarHBondContact O-CB 3.39Å; V497-A500 PolarHBondContact O-N 3.49Å; V497-A500 VanDerWaalsContact O-N 3.16Å; V497-Q501 PolarHBondContact O-N 3.42Å; V497-E557 HydrophobicContact CG2-CB 3.89Å; V497-E557 HydrophobicContact CG2-CG 3.99Å; V497-A560 HydrophobicContact CB-CB 4.33Å; V497-A560 HydrophobicContact CG1-CB 3.81Å; V497-A560 HydrophobicContact CG2-CB 4.14Å; V497-L561 HydrophobicContact CG1-CD2 3.83Å; V497-L561 HydrophobicContact CG1-CG 3.98Å; V497-L561 HydrophobicContact CG2-CG 4.1Å; V497-L564 HydrophobicContact CG1-CD1 3.66Å
498R98.4Very high96.8Very high18 Ų1824.2 Ų24.27%0.06813%0.126CC..Hα-helixtrans-61.8-38.6172.2-177.269.576.1-169.6-0.7111.6L470 R471 L472 D484 I485 P494 L495 A500 Q501 L502L470-R498 HydrophobicContact CB-CG 4.13Å; L470-R498 VanDerWaalsContact O-CD 3.31Å; L470-R498 WeakPolarHBondContact O-CD 3.12Å; L470-R498 VanDerWaalsContact O-CG 3.25Å; L470-R498 WeakPolarHBondContact O-CG 3.31Å; L470-R498 PolarHBondContact O-NE 3.1Å; R471-R498 PolarHBondContact O-NH2 3.43Å; L472-R498 HydrophobicContact CD2-CB 4.02Å; L472-R498 HydrophobicContact CD2-CG 4.13Å; D484-R498 VanDerWaalsContact CG-NH2 3.33Å; D484-R498 IonicContact OD1-CZ 2.76Å; D484-R498 IonicContact OD1-NH1 2.82Å; D484-R498 PolarHBondContact OD1-NH1 3.13Å; D484-R498 IonicContact OD1-NH2 3.55Å; D484-R498 PolarHBondContact OD1-NH2 3.27Å; D484-R498 IonicContact OD2-CZ 3.76Å; D484-R498 IonicContact OD2-NH2 3.2Å; D484-R498 PolarHBondContact OD2-NH2 2.78Å; I485-R498 HydrophobicContact CD1-CB 4.28Å; P494-R498 WeakPolarHBondContact O-CB 3.09Å; P494-R498 PolarHBondContact O-N 3.24Å; L495-R498 PolarHBondContact O-N 3.17Å; R498-A500 VanDerWaalsContact C-N 3.34Å; R498-Q501 PolarHBondContact O-N 3.01Å; R498-L502 HydrophobicContact CG-CD1 3.84Å; R498-L502 HydrophobicContact CG-CG 4.38Å; R498-L502 WeakPolarHBondContact O-CB 3.39Å; R498-L502 VanDerWaalsContact O-CG 3.28Å; R498-L502 WeakPolarHBondContact O-CG 3.5Å; R498-L502 PolarHBondContact O-N 2.98Å
499L98.5Very high96.7Very high0 Ų034.4 Ų34.40%017%0.165CC..Hα-helixtrans-62.7-41.2173.5-68179.5000111.7K195 V234 L470 L495 S496 V497 L502 L503 W508 I511 L515 L518K195-L499 HydrophobicContact CG-CD1 4.49Å; V234-L499 HydrophobicContact CG1-CD1 3.73Å; L470-L499 HydrophobicContact CD1-CD2 4.19Å; L470-L499 HydrophobicContact CD2-CD2 4.4Å; L495-L499 HydrophobicContact CD2-CD1 3.58Å; L495-L499 HydrophobicContact CD2-CG 3.84Å; L495-L499 WeakPolarHBondContact O-CG 3.35Å; L495-L499 PolarHBondContact O-N 3Å; S496-L499 WeakPolarHBondContact O-CB 3.47Å; S496-L499 PolarHBondContact O-N 3.07Å; V497-L499 VanDerWaalsContact C-N 3.3Å; V497-L499 PolarHBondContact O-N 2.96Å; L499-L502 PolarHBondContact O-N 3.41Å; L499-L503 WeakPolarHBondContact O-CB 3.46Å; L499-L503 PolarHBondContact O-N 3.35Å; L499-W508 HydrophobicContact CB-CZ2 4.39Å; L499-W508 PolarHBondContact O-NE1 3.1Å; L499-I511 HydrophobicContact CD2-CD1 3.98Å; L499-L515 HydrophobicContact CD2-CD2 3.89Å; L499-L518 HydrophobicContact CD1-CD1 4.08Å; L499-L518 HydrophobicContact CD2-CD1 4.12Å
500A97.9Very high96.6Very high0 Ų037.6 Ų37.60%019%0.188CC..Hα-helixtrans-64.5-41.5175.300000112.4L228 S496 V497 R498 L503 S504 I547 L561 Y574L228-A500 HydrophobicContact CD2-CB 3.78Å; S496-A500 PolarHBondContact O-N 3.07Å; S496-A500 VanDerWaalsContact O-N 3.17Å; V497-A500 WeakPolarHBondContact O-CB 3.39Å; V497-A500 PolarHBondContact O-N 3.49Å; V497-A500 VanDerWaalsContact O-N 3.16Å; R498-A500 VanDerWaalsContact C-N 3.34Å; A500-L503 PolarHBondContact O-N 3.23Å; A500-S504 PolarHBondContact O-N 2.87Å; A500-I547 HydrophobicContact CB-CD1 3.57Å; A500-L561 HydrophobicContact CB-CD2 4.11Å; A500-Y574 HydrophobicContact CB-CE1 4.39Å; A500-Y574 PolarHBondContact O-OH 2.93Å
501Q96.8Very high96.5Very high47 Ų4737.2 Ų37.222%0.2218%0.184CC..Hα-helixtrans-59.8-49.8174.6-171.1-173.92600111.2V497 R498 L503 S504 R505 L564V497-Q501 PolarHBondContact O-N 3.42Å; R498-Q501 PolarHBondContact O-N 3.01Å; Q501-L503 VanDerWaalsContact C-N 3.29Å; Q501-L503 PolarHBondContact O-N 2.94Å; Q501-S504 PolarHBondContact O-N 3.44Å; Q501-R505 PolarHBondContact O-N 2.66Å; Q501-L564 HydrophobicContact CB-CD1 3.78Å; Q501-L564 HydrophobicContact CG-CD1 4.12Å; Q501-L564 HydrophobicContact CG-CD2 3.96Å
502L96.5Very high96.5Very high30 Ų3041.1 Ų41.116%0.15720%0.202CC..Hα-helixtrans-70.8-23.7-177.4-68.9170.7000112.9L470 R498 L499 R505 G507 I511L470-L502 HydrophobicContact CD2-CD1 3.66Å; R498-L502 HydrophobicContact CG-CD1 3.84Å; R498-L502 HydrophobicContact CG-CG 4.38Å; R498-L502 WeakPolarHBondContact O-CB 3.39Å; R498-L502 VanDerWaalsContact O-CG 3.28Å; R498-L502 WeakPolarHBondContact O-CG 3.5Å; R498-L502 PolarHBondContact O-N 2.98Å; L499-L502 PolarHBondContact O-N 3.41Å; L502-R505 WeakPolarHBondContact CA-O 3.38Å; L502-R505 CarbonylContact O-C 3.51Å; L502-G507 CarbonylContact O-C 3.18Å; L502-G507 VanDerWaalsContact O-C 3.3Å; L502-G507 WeakPolarHBondContact O-CA 3.45Å; L502-G507 PolarHBondContact O-N 3.14Å; L502-I511 HydrophobicContact CB-CD1 3.99Å; L502-I511 HydrophobicContact CD1-CD1 3.94Å; L502-I511 HydrophobicContact CD1-CG2 4.17Å
503L96.1Very high96.4Very high19 Ų1947 Ų4710%0.09923%0.23CC..Hα-helixtrans-64.5-47.3169.7-178.762.9000111F193 L228 L499 A500 Q501 G507 W508F193-L503 HydrophobicContact CB-CD1 4.31Å; F193-L503 HydrophobicContact CB-CD2 3.87Å; F193-L503 HydrophobicContact CD1-CD1 3.6Å; F193-L503 HydrophobicContact CD1-CD2 4.48Å; F193-L503 HydrophobicContact CD2-CD1 4.24Å; F193-L503 HydrophobicContact CD2-CD2 3.83Å; F193-L503 HydrophobicContact CD2-CG 4.48Å; F193-L503 HydrophobicContact CE1-CD1 3.87Å; F193-L503 HydrophobicContact CE2-CD1 4.48Å; F193-L503 HydrophobicContact CG-CD1 3.78Å; F193-L503 HydrophobicContact CG-CD2 3.8Å; F193-L503 HydrophobicContact CG-CG 4.38Å; F193-L503 HydrophobicContact CZ-CD1 4.31Å; L228-L503 HydrophobicContact CB-CD2 4.12Å; L228-L503 HydrophobicContact CD1-CD2 3.98Å; L228-L503 HydrophobicContact CD2-CD2 3.85Å; L228-L503 HydrophobicContact CG-CD2 4.18Å; L499-L503 WeakPolarHBondContact O-CB 3.46Å; L499-L503 PolarHBondContact O-N 3.35Å; A500-L503 PolarHBondContact O-N 3.23Å; Q501-L503 VanDerWaalsContact C-N 3.29Å; Q501-L503 PolarHBondContact O-N 2.94Å; L503-G507 WeakPolarHBondContact O-CA 3.04Å; L503-W508 HydrophobicContact CB-CG 4.45Å; L503-W508 HydrophobicContact CD1-CB 4.39Å; L503-W508 HydrophobicContact CD1-CD2 3.81Å; L503-W508 HydrophobicContact CD1-CE3 4.3Å; L503-W508 HydrophobicContact CD1-CG 3.81Å
504S92.8Very high96.3Very high40 Ų4047.2 Ų47.228%0.2823%0.231SC..Hα-helixtrans-67.1-43.3-179.8-650000111.8A500 Q501 T572 Y574A500-S504 PolarHBondContact O-N 2.87Å; Q501-S504 PolarHBondContact O-N 3.44Å; S504-T572 WeakPolarHBondContact CB-OG1 3.4Å; S504-T572 PolarHBondContact OG-OG1 2.95Å; S504-Y574 PolarHBondContact OG-OH 3.4Å
505R88.5Confident96.3Very high177 Ų17747.3 Ų47.367%0.66823%0.231SC*.THydrogen-bonded Turntrans-154.2126.3176.1-169.9174.5179.1-175.7-2.4110.9Q501 L502Q501-R505 PolarHBondContact O-N 2.66Å; L502-R505 WeakPolarHBondContact CA-O 3.38Å; L502-R505 CarbonylContact O-C 3.51Å
506P92.1Very high96.2Very high100 Ų10054.1 Ų54.165%0.64926%0.256SS*.THydrogen-bonded Turncis-91.55.35.237.4-36.3000114.5S510P506-S510 WeakPolarHBondContact CG-OG 3.36Å
507G94.1Very high96.1Very high19 Ų1956.4 Ų56.420%0.19627%0.267CS..  trans107.3149.2-175.100000112.6L502 L503 R509 S510L502-G507 CarbonylContact O-C 3.18Å; L502-G507 VanDerWaalsContact O-C 3.3Å; L502-G507 WeakPolarHBondContact O-CA 3.45Å; L502-G507 PolarHBondContact O-N 3.14Å; L503-G507 WeakPolarHBondContact O-CA 3.04Å; G507-R509 PolarHBondContact O-N 3.42Å; G507-R509 VanDerWaalsContact O-N 3.11Å; G507-S510 WeakPolarHBondContact O-CB 3.27Å; G507-S510 PolarHBondContact O-N 3.4Å; G507-S510 PolarHBondContact O-OG 3.4Å
508W97.3Very high96Very high21 Ų2156.8 Ų56.88%0.0827%0.269CS..G310 helixtrans-62.4-19.7-174.5-844.9000115.8F193 G194 K195 L228 L230 L499 L503 S510 I511 E512 L515 H522F193-W508 HydrophobicContact CB-CZ3 4.34Å; G194-W508 WeakPolarHBondContact O-CZ3 3.27Å; K195-W508 HydrophobicContact CB-CH2 3.73Å; K195-W508 HydrophobicContact CB-CZ3 4.27Å; L228-W508 HydrophobicContact CD1-CH2 3.46Å; L228-W508 VanDerWaalsContact CD1-CH2 3.46Å; L228-W508 HydrophobicContact CD1-CZ2 3.68Å; L228-W508 HydrophobicContact CD1-CZ3 4.48Å; L230-W508 HydrophobicContact CD2-CH2 4.43Å; L230-W508 HydrophobicContact CD2-CZ2 4.45Å; L499-W508 HydrophobicContact CB-CZ2 4.39Å; L499-W508 PolarHBondContact O-NE1 3.1Å; L503-W508 HydrophobicContact CB-CG 4.45Å; L503-W508 HydrophobicContact CD1-CB 4.39Å; L503-W508 HydrophobicContact CD1-CD2 3.81Å; L503-W508 HydrophobicContact CD1-CE3 4.3Å; L503-W508 HydrophobicContact CD1-CG 3.81Å; W508-S510 PolarHBondContact O-N 3.35Å; W508-S510 VanDerWaalsContact O-N 3.15Å; W508-I511 CarbonylContact O-C 3.51Å; W508-I511 WeakPolarHBondContact O-CG1 3.41Å; W508-I511 PolarHBondContact O-N 2.84Å; W508-E512 PolarHBondContact O-N 3.16Å; W508-L515 HydrophobicContact CB-CD1 3.65Å; W508-L515 HydrophobicContact CD2-CD1 3.91Å; W508-L515 HydrophobicContact CD2-CD2 4.37Å; W508-L515 HydrophobicContact CE3-CD1 4.14Å; W508-L515 HydrophobicContact CG-CD1 3.73Å; W508-H522 HydrophobicContact CE3-CB 4.34Å; W508-H522 HydrophobicContact CZ3-CB 4.22Å
509R95.8Very high95.9Very high214 Ų21458.5 Ų58.581%0.80828%0.283SS*.G310 helixtrans-57.8-26.9171.6-64.1-175.8-174.6179.61.4112.7G507 I511G507-R509 PolarHBondContact O-N 3.42Å; G507-R509 VanDerWaalsContact O-N 3.11Å; R509-I511 VanDerWaalsContact C-N 3.27Å; R509-I511 PolarHBondContact O-N 3.17Å
510S96.3Very high95.8Very high70 Ų7060 Ų6049%0.4930%0.298SS..G310 helixtrans-73.2-16.1177.266.60000114.3P506 G507 W508P506-S510 WeakPolarHBondContact CG-OG 3.36Å; G507-S510 WeakPolarHBondContact O-CB 3.27Å; G507-S510 PolarHBondContact O-N 3.4Å; G507-S510 PolarHBondContact O-OG 3.4Å; W508-S510 PolarHBondContact O-N 3.35Å; W508-S510 VanDerWaalsContact O-N 3.15Å
511I96.8Very high95.8Very high15 Ų1561.9 Ų61.98%0.07731%0.311CS..G310 helixtrans-130.225.2-174.158.6159.8000112.1L470 L499 L502 W508 R509 E513 V514 L515L470-I511 HydrophobicContact CD2-CD1 4.14Å; L470-I511 HydrophobicContact CD2-CG2 4.44Å; L499-I511 HydrophobicContact CD2-CD1 3.98Å; L502-I511 HydrophobicContact CB-CD1 3.99Å; L502-I511 HydrophobicContact CD1-CD1 3.94Å; L502-I511 HydrophobicContact CD1-CG2 4.17Å; W508-I511 CarbonylContact O-C 3.51Å; W508-I511 WeakPolarHBondContact O-CG1 3.41Å; W508-I511 PolarHBondContact O-N 2.84Å; R509-I511 VanDerWaalsContact C-N 3.27Å; R509-I511 PolarHBondContact O-N 3.17Å; I511-E513 VanDerWaalsContact C-N 3.26Å; I511-E513 PolarHBondContact O-N 3.35Å; I511-V514 HydrophobicContact CB-CG1 3.7Å; I511-V514 HydrophobicContact CG2-CG1 4.4Å; I511-V514 WeakPolarHBondContact O-CG1 3.25Å; I511-V514 PolarHBondContact O-N 2.89Å; I511-L515 HydrophobicContact CD1-CD1 4.25Å; I511-L515 HydrophobicContact CD1-CD2 4.27Å; I511-L515 HydrophobicContact CD1-CG 4.11Å; I511-L515 HydrophobicContact CG1-CD1 3.99Å; I511-L515 HydrophobicContact CG1-CG 4.14Å; I511-L515 WeakPolarHBondContact O-CG 3.23Å; I511-L515 PolarHBondContact O-N 3.02Å
512E96.5Very high95.9Very high81 Ų8162.5 Ų62.538%0.37931%0.313SS..Hα-helixtrans-56.7-39.1-173.8-166.8-178.4165.900112.8W508 L515 R516W508-E512 PolarHBondContact O-N 3.16Å; E512-L515 WeakPolarHBondContact O-CB 3.13Å; E512-L515 PolarHBondContact O-N 3.33Å; E512-R516 WeakPolarHBondContact O-CG 3.39Å; E512-R516 PolarHBondContact O-N 2.98Å; E512-R516 VanDerWaalsContact O-N 3.07Å; E512-R516 IonicContact OE1-CZ 3.5Å; E512-R516 IonicContact OE1-NE 3.61Å; E512-R516 IonicContact OE1-NH2 2.69Å; E512-R516 PolarHBondContact OE1-NH2 2.99Å
513E96.5Very high96Very high125 Ų12561.6 Ų61.658%0.58431%0.308SS*.Hα-helixtrans-64.2-46.5-179.2-17559.4-165.300112.2I511 L515 R516 I517I511-E513 VanDerWaalsContact C-N 3.26Å; I511-E513 PolarHBondContact O-N 3.35Å; E513-L515 VanDerWaalsContact C-N 3.3Å; E513-L515 PolarHBondContact O-N 3.48Å; E513-R516 WeakPolarHBondContact O-CB 3.44Å; E513-R516 PolarHBondContact O-N 3.28Å; E513-R516 VanDerWaalsContact O-N 3.12Å; E513-I517 WeakPolarHBondContact O-CG1 3.23Å; E513-I517 PolarHBondContact O-N 3.11Å
514V97.4Very high96Very high4 Ų465.4 Ų65.42%0.02433%0.325CS..Hα-helixtrans-69.9-30.2177.364.30000111.6I466 T469 L470 I511 R516 I517 L518I466-V514 HydrophobicContact CB-CG2 4.31Å; I466-V514 HydrophobicContact CG1-CG2 3.95Å; I466-V514 HydrophobicContact CG2-CG2 4.33Å; T469-V514 HydrophobicContact CG2-CB 4.06Å; T469-V514 HydrophobicContact CG2-CG1 3.86Å; L470-V514 HydrophobicContact CD1-CG2 4.16Å; L470-V514 HydrophobicContact CD2-CG1 3.75Å; L470-V514 HydrophobicContact CD2-CG2 4.5Å; L470-V514 HydrophobicContact CG-CG1 4.24Å; L470-V514 HydrophobicContact CG-CG2 4.09Å; I511-V514 HydrophobicContact CB-CG1 3.7Å; I511-V514 HydrophobicContact CG2-CG1 4.4Å; I511-V514 WeakPolarHBondContact O-CG1 3.25Å; I511-V514 PolarHBondContact O-N 2.89Å; V514-R516 PolarHBondContact O-N 2.76Å; V514-I517 PolarHBondContact O-N 3.42Å; V514-L518 WeakPolarHBondContact O-CG 3.29Å; V514-L518 PolarHBondContact O-N 3.1Å; V514-L518 VanDerWaalsContact O-N 3.11Å
515L98.2Very high96.2Very high1 Ų166.8 Ų66.81%0.00533%0.327CS..Hα-helixtrans-64-27.3171.3-70.4171.9000112.8K195 L499 W508 I511 E512 E513 H522K195-L515 HydrophobicContact CD-CD2 4.36Å; K195-L515 PolarHBondContact NZ-O 3.17Å; L499-L515 HydrophobicContact CD2-CD2 3.89Å; W508-L515 HydrophobicContact CB-CD1 3.65Å; W508-L515 HydrophobicContact CD2-CD1 3.91Å; W508-L515 HydrophobicContact CD2-CD2 4.37Å; W508-L515 HydrophobicContact CE3-CD1 4.14Å; W508-L515 HydrophobicContact CG-CD1 3.73Å; I511-L515 HydrophobicContact CD1-CD1 4.25Å; I511-L515 HydrophobicContact CD1-CD2 4.27Å; I511-L515 HydrophobicContact CD1-CG 4.11Å; I511-L515 HydrophobicContact CG1-CD1 3.99Å; I511-L515 HydrophobicContact CG1-CG 4.14Å; I511-L515 WeakPolarHBondContact O-CG 3.23Å; I511-L515 PolarHBondContact O-N 3.02Å; E512-L515 WeakPolarHBondContact O-CB 3.13Å; E512-L515 PolarHBondContact O-N 3.33Å; E513-L515 VanDerWaalsContact C-N 3.3Å; E513-L515 PolarHBondContact O-N 3.48Å; L515-H522 HydrophobicContact CB-CB 4.36Å; L515-H522 HydrophobicContact CD1-CB 4.4Å
516R97.1Very high96.5Very high153 Ų15367.5 Ų67.558%0.57733%0.33SS*.Hα-helixtrans-77.8-27.5174-68.2171.6-176-177-0.6113E512 E513 V514E512-R516 WeakPolarHBondContact O-CG 3.39Å; E512-R516 PolarHBondContact O-N 2.98Å; E512-R516 VanDerWaalsContact O-N 3.07Å; E512-R516 IonicContact OE1-CZ 3.5Å; E512-R516 IonicContact OE1-NE 3.61Å; E512-R516 IonicContact OE1-NH2 2.69Å; E512-R516 PolarHBondContact OE1-NH2 2.99Å; E513-R516 WeakPolarHBondContact O-CB 3.44Å; E513-R516 PolarHBondContact O-N 3.28Å; E513-R516 VanDerWaalsContact O-N 3.12Å; V514-R516 PolarHBondContact O-N 2.76Å
517I95.3Very high96.6Very high50 Ų5063.1 Ų63.126%0.25630%0.301SS..Hα-helixtrans-74.3-38.2176.9-65.1173.4000111.2N462 T465 I466 E513 V514N462-I517 HydrophobicContact CB-CG2 3.49Å; N462-I517 VanDerWaalsContact CB-CG2 3.49Å; T465-I517 HydrophobicContact CG2-CD1 4.22Å; I466-I517 HydrophobicContact CD1-CG2 3.91Å; I466-I517 HydrophobicContact CG1-CG2 4.03Å; E513-I517 WeakPolarHBondContact O-CG1 3.23Å; E513-I517 PolarHBondContact O-N 3.11Å; V514-I517 PolarHBondContact O-N 3.42Å
518L97.2Very high96.4Very high8 Ų867.6 Ų67.64%0.04233%0.327CS..SBendtrans-66.5149.9177.1-68.9169.6000111.3K195 V234 I466 L495 L499 V514K195-L518 VanDerWaalsContact CE-CB 3.42Å; K195-L518 PolarHBondContact NZ-O 2.98Å; V234-L518 HydrophobicContact CG1-CB 4.42Å; V234-L518 HydrophobicContact CG1-CD1 4.26Å; I466-L518 HydrophobicContact CD1-CD2 3.95Å; I466-L518 HydrophobicContact CG1-CD2 4.49Å; I466-L518 HydrophobicContact CG2-CD2 4.29Å; L495-L518 HydrophobicContact CD1-CD2 3.9Å; L495-L518 HydrophobicContact CD2-CD1 4.1Å; L495-L518 HydrophobicContact CD2-CD2 4.18Å; L499-L518 HydrophobicContact CD1-CD1 4.08Å; L499-L518 HydrophobicContact CD2-CD1 4.12Å; V514-L518 WeakPolarHBondContact O-CG 3.29Å; V514-L518 PolarHBondContact O-N 3.1Å; V514-L518 VanDerWaalsContact O-N 3.11Å
519P95.5Very high95.9Very high54 Ų5468.3 Ų68.335%0.35133%0.332SS..SBendtrans-67.5149.4-174.927.2-33.5000113.2K195 N233K195-P519 WeakPolarHBondContact CE-O 3.3Å; K195-P519 PolarHBondContact NZ-O 2.97Å; K195-P519 VanDerWaalsContact NZ-O 3.07Å; N233-P519 WeakPolarHBondContact O-CG 3.43Å
520G97.2Very high95.5Very high31 Ų3160.6 Ų60.632%0.3231%0.309SS..SBendtrans71.6171.4-179.900000114.9K195K195-G520 PolarHBondContact NZ-O 3.4Å
521P98.1Very high94.8Very high41 Ų4163.2 Ų63.227%0.26632%0.323SS..  trans-72.7154.1-179.830.3-37.6000111.7K195 G196 E197 R200K195-P521 CarbonylContact C-O 3.54Å; K195-P521 WeakPolarHBondContact CA-O 3.45Å; G196-P521 PolarHBondContact N-O 3.36Å; E197-P521 VanDerWaalsContact CD-CD 3.49Å; E197-P521 WeakPolarHBondContact OE1-CD 3.36Å; R200-P521 HydrophobicContact CB-CG 4.17Å
522H98.3Very high94.3Very high59 Ų5965.4 Ų65.427%0.27335%0.349SS..EExtended strand (participates in β ladder)trans-106.8146.8158.264-83.9000109.2G194 K195 W508 L515G194-H522 CarbonylContact O-C 3.54Å; G194-H522 VanDerWaalsContact O-CA 3.24Å; G194-H522 WeakPolarHBondContact O-CA 3.36Å; K195-H522 HydrophobicContact CD-CB 3.93Å; W508-H522 HydrophobicContact CE3-CB 4.34Å; W508-H522 HydrophobicContact CZ3-CB 4.22Å; L515-H522 HydrophobicContact CB-CB 4.36Å; L515-H522 HydrophobicContact CD1-CB 4.4Å
523F98.2Very high93.8Very high12 Ų1262.4 Ų62.45%0.05334%0.336CS..EExtended strand (participates in β ladder)trans-156163.3-177.464.7-92.6000114.5I192 F193 G194 A199 R200 A203 E525I192-F523 HydrophobicContact CG2-CE2 4.27Å; F193-F523 WeakPolarHBondContact CA-O 3.47Å; G194-F523 PolarHBondContact N-O 2.89Å; G194-F523 VanDerWaalsContact N-O 3.08Å; G194-F523 WeakPolarHBondContact O-CD1 3.38Å; G194-F523 PolarHBondContact O-N 2.87Å; A199-F523 HydrophobicContact CB-CE1 4.2Å; A199-F523 HydrophobicContact CB-CZ 4.44Å; R200-F523 HydrophobicContact CB-CD1 4.42Å; R200-F523 HydrophobicContact CB-CE1 3.86Å; R200-F523 HydrophobicContact CB-CZ 4.48Å; R200-F523 VanDerWaalsContact CZ-CB 3.5Å; A203-F523 HydrophobicContact CB-CE2 3.78Å; A203-F523 HydrophobicContact CB-CZ 3.76Å; F523-E525 HydrophobicContact CD2-CG 3.95Å; F523-E525 HydrophobicContact CE2-CG 4.3Å
524E97.7Very high93.2Very high98 Ų9861.6 Ų61.646%0.45833%0.332SS..EExtended strand (participates in β ladder)trans-134128173.4178.2177.9177.500108.3Q191 I192 F193Q191-E524 PolarHBondContact NE2-OE1 3.37Å; I192-E524 CarbonylContact O-C 3.58Å; I192-E524 WeakPolarHBondContact O-CA 3.42Å; F193-E524 HydrophobicContact CD1-CB 3.96Å; F193-E524 HydrophobicContact CD1-CG 3.94Å; F193-E524 HydrophobicContact CE1-CB 3.97Å; F193-E524 HydrophobicContact CE1-CG 3.5Å; F193-E524 HydrophobicContact CZ-CG 4.18Å
525E96.5Very high92.2Very high69 Ų6966.2 Ų66.232%0.32235%0.352SS..EExtended strand (participates in β ladder)trans-127.8142176-62.6-67.8163.500109.3I192 R200 I207 F523I192-E525 HydrophobicContact CB-CB 4.25Å; I192-E525 HydrophobicContact CD1-CB 4.46Å; I192-E525 PolarHBondContact N-O 2.85Å; I192-E525 PolarHBondContact O-N 3.31Å; R200-E525 IonicContact CZ-OE1 3.71Å; R200-E525 IonicContact NH1-OE1 3.31Å; R200-E525 PolarHBondContact NH1-OE1 3.21Å; I207-E525 HydrophobicContact CD1-CB 4.46Å; I207-E525 HydrophobicContact CD1-CG 4.5Å; F523-E525 HydrophobicContact CD2-CG 3.95Å; F523-E525 HydrophobicContact CE2-CG 4.3Å
526R95.6Very high91Very high193 Ų19375.7 Ų75.773%0.72839%0.393SS*.EExtended strand (participates in β ladder)trans-113.2124.4176.6-173.5176.6-179.8-173.90.6110.2
527Q93.5Very high89.7Confident8 Ų871.7 Ų71.74%0.03738%0.378CS..  trans-84137.4172.8-65.3-166.171.800110.9T188 I189 P190 I192 K210T188-Q527 HydrophobicContact CG2-CB 3.85Å; I189-Q527 PolarHBondContact O-NE2 2.8Å; P190-Q527 PolarHBondContact O-N 3.28Å; I192-Q527 HydrophobicContact CD1-CG 3.72Å; I192-Q527 HydrophobicContact CG1-CG 4.39Å; K210-Q527 VanDerWaalsContact CD-OE1 3.31Å
528P89.3Confident88.7Confident112 Ų11276.7 Ų76.773%0.72740%0.4SS*.  trans-66.9137.8173.228.5-33.5000110.1
529L88.1Confident87.4Confident36 Ų3682.8 Ų82.819%0.18844%0.44CS..  trans-118.1141172-62.1175.9000109.4T188 P190 P222 Q534T188-L529 HydrophobicContact CG2-CD2 3.54Å; P190-L529 HydrophobicContact CB-CD1 3.98Å; P190-L529 HydrophobicContact CG-CD1 3.85Å; P222-L529 HydrophobicContact CG-CD1 4.21Å; P222-L529 HydrophobicContact CG-CD2 4.13Å; L529-Q534 HydrophobicContact CB-CG 4.41Å
530P86.2Confident86.3Confident52 Ų5284 Ų8434%0.33846%0.462SS..  trans-52.2143.4166.1-24.433.5000111.3G532 L533P530-G532 PolarHBondContact O-N 2.68Å; P530-G532 VanDerWaalsContact O-N 3.09Å; P530-L533 HydrophobicContact CB-CD1 4.39Å; P530-L533 HydrophobicContact CB-CG 4.43Å; P530-L533 HydrophobicContact CG-CD1 4.05Å; P530-L533 PolarHBondContact O-N 2.84Å
531T82.8Confident85.5Confident125 Ų12585.4 Ų85.477%0.76746%0.461SS*.G310 helixtrans-53.5-36-176.2-46.40000112.8L533T531-L533 VanDerWaalsContact C-N 3.26Å; T531-L533 PolarHBondContact O-N 2.86Å
532G85.7Confident84.8Confident62 Ų6285.7 Ų85.764%0.63946%0.46SS*.G310 helixtrans-71.8-11.9178.300000115.5F221 P530F221-G532 VanDerWaalsContact CE1-O 3.27Å; F221-G532 WeakPolarHBondContact CE1-O 3.22Å; F221-G532 WeakPolarHBondContact CZ-O 3.29Å; P530-G532 PolarHBondContact O-N 2.68Å; P530-G532 VanDerWaalsContact O-N 3.09Å
533L86.3Confident84.5Confident18 Ų1888.8 Ų88.89%0.09447%0.469CS..G310 helixtrans-107.45.1-178.3-61.8-179.3000113.2N218 F221 P530 T531 K535N218-L533 WeakPolarHBondContact O-CD1 3.38Å; F221-L533 HydrophobicContact CD1-CD2 3.9Å; F221-L533 HydrophobicContact CD2-CD2 4.08Å; F221-L533 HydrophobicContact CE1-CD2 3.94Å; F221-L533 HydrophobicContact CE2-CD2 4.12Å; F221-L533 HydrophobicContact CG-CD2 3.97Å; F221-L533 HydrophobicContact CZ-CD2 4.05Å; P530-L533 HydrophobicContact CB-CD1 4.39Å; P530-L533 HydrophobicContact CB-CG 4.43Å; P530-L533 HydrophobicContact CG-CD1 4.05Å; P530-L533 PolarHBondContact O-N 2.84Å; T531-L533 VanDerWaalsContact C-N 3.26Å; T531-L533 PolarHBondContact O-N 2.86Å; L533-K535 PolarHBondContact O-N 2.87Å; L533-K535 VanDerWaalsContact O-N 3.15Å
534Q82.4Confident84.4Confident107 Ų10788.4 Ų88.450%0.547%0.468SS..  trans-75.9101.9173.4-64.4-1758.800109.6L529 K536L529-Q534 HydrophobicContact CB-CG 4.41Å; Q534-K536 PolarHBondContact O-N 3.22Å
535K76.4Confident84.4Confident101 Ų10183.8 Ų83.844%0.43945%0.446SS..PPolyproline II helixtrans-69.3118.8179.8-170.7175.2175.6-177.20110.6L533 R537 E541L533-K535 PolarHBondContact O-N 2.87Å; L533-K535 VanDerWaalsContact O-N 3.15Å; K535-R537 HydrophobicContact CG-CG 4.42Å; K535-E541 WeakPolarHBondContact CE-OE1 3.38Å; K535-E541 IonicContact NZ-OE1 2.95Å; K535-E541 PolarHBondContact NZ-OE1 3.43Å; K535-E541 IonicContact NZ-OE2 3.33Å
536K74.2Confident84.5Confident200 Ų20080.5 Ų80.587%0.8743%0.431SS*.PPolyproline II helixtrans-79117.1164.1-71.8-174.4179.6179.90108.3Q534Q534-K536 PolarHBondContact O-N 3.22Å
537R69.4Low84.6Confident69 Ų6971.3 Ų71.326%0.2640%0.396SS..PPolyproline II helixtrans-90.1144-177.8-59.1-163.176.2159.72.3111.9D225 K535 E541 N542 R543D225-R537 IonicContact OD1-CZ 3.37Å; D225-R537 IonicContact OD1-NH1 2.63Å; D225-R537 PolarHBondContact OD1-NH1 3.22Å; D225-R537 IonicContact OD2-CZ 2.74Å; D225-R537 IonicContact OD2-NH1 2.7Å; D225-R537 PolarHBondContact OD2-NH1 3.25Å; D225-R537 IonicContact OD2-NH2 2.62Å; K535-R537 HydrophobicContact CG-CG 4.42Å; R537-E541 IonicContact CZ-OE2 2.96Å; R537-E541 IonicContact NE-OE2 3.93Å; R537-E541 PolarHBondContact NE-OE2 3.09Å; R537-E541 PolarHBondContact NH2-O 3.16Å; R537-E541 IonicContact NH2-OE1 3Å; R537-E541 IonicContact NH2-OE2 2.77Å; R537-N542 PolarHBondContact NH2-O 3.31Å; R537-R543 VanDerWaalsContact NH1-CA 3.32Å; R537-R543 VanDerWaalsContact NH1-CG 3.31Å
538Q73.7Confident84.9Confident155 Ų15570.9 Ų70.972%0.72439%0.394SS*.PPolyproline II helixtrans-82.8145.7172.2-62.7-17711.300109.7G540 E541Q538-G540 PolarHBondContact O-N 2.88Å; Q538-E541 WeakPolarHBondContact O-CB 3.27Å; Q538-E541 PolarHBondContact O-N 3.35Å
539P70.7Confident85.3Confident137 Ų13765.6 Ų65.689%0.8936%0.36SS*.THydrogen-bonded Turntrans-52.5132.5168.9-23.533.5000110.8
540G72.5Confident85.8Confident79 Ų7964 Ų6481%0.81435%0.351SS*.THydrogen-bonded Turntrans89.7-3.7-179.800000115.9Q538 N542Q538-G540 PolarHBondContact O-N 2.88Å; G540-N542 PolarHBondContact O-N 2.87Å
541E79.1Confident86.4Confident61 Ų6161.8 Ų61.829%0.28534%0.338SS..  trans-79.1114.7176.6-166.7-167.2-17600111.8K535 R537 Q538 R543K535-E541 WeakPolarHBondContact CE-OE1 3.38Å; K535-E541 IonicContact NZ-OE1 2.95Å; K535-E541 PolarHBondContact NZ-OE1 3.43Å; K535-E541 IonicContact NZ-OE2 3.33Å; R537-E541 IonicContact CZ-OE2 2.96Å; R537-E541 IonicContact NE-OE2 3.93Å; R537-E541 PolarHBondContact NE-OE2 3.09Å; R537-E541 PolarHBondContact NH2-O 3.16Å; R537-E541 IonicContact NH2-OE1 3Å; R537-E541 IonicContact NH2-OE2 2.77Å; Q538-E541 WeakPolarHBondContact O-CB 3.27Å; Q538-E541 PolarHBondContact O-N 3.35Å; E541-R543 PolarHBondContact O-N 2.86Å
542N85.3Confident87.1Confident46 Ų4655.9 Ų55.925%0.24630%0.302CS..PPolyproline II helixtrans-59.1135.3178.3-63.2-5.7000113.2R9 R537 G540 G571R9-N542 PolarHBondContact NH1-O 2.8Å; R537-N542 PolarHBondContact NH2-O 3.31Å; G540-N542 PolarHBondContact O-N 2.87Å; N542-G571 CarbonylContact C-O 3.3Å; N542-G571 VanDerWaalsContact CA-O 3.23Å; N542-G571 WeakPolarHBondContact CA-O 3.37Å; N542-G571 WeakPolarHBondContact OD1-CA 3.34Å
543R91.7Very high87.7Confident124 Ų12452.9 Ų52.947%0.46827%0.271SS..EExtended strand (participates in β ladder)trans-72.2146.1172.8-48.7-156.8170.4177.1-1.3111.4D225 R537 E541 G571 T572 E573D225-R543 HydrophobicContact CB-CB 4.35Å; D225-R543 VanDerWaalsContact OD2-CA 3.25Å; D225-R543 WeakPolarHBondContact OD2-CA 3.46Å; R537-R543 VanDerWaalsContact NH1-CA 3.32Å; R537-R543 VanDerWaalsContact NH1-CG 3.31Å; E541-R543 PolarHBondContact O-N 2.86Å; R543-G571 PolarHBondContact N-O 3.2Å; R543-T572 HydrophobicContact CB-CG2 4.49Å; R543-T572 CarbonylContact O-C 3.51Å; R543-T572 VanDerWaalsContact O-CA 3.23Å; R543-T572 WeakPolarHBondContact O-CA 3.44Å; R543-E573 PolarHBondContact O-N 2.82Å
544V95.1Very high88.3Confident4 Ų452 Ų522%0.02427%0.267CS..EExtended strand (participates in β ladder)trans-103.3116.9171.2-1710000108.3R9 V10 F224 D225 N226 E573 V575R9-V544 HydrophobicContact CB-CG2 3.92Å; R9-V544 HydrophobicContact CG-CG2 4.41Å; V10-V544 HydrophobicContact CG2-CG1 3.82Å; F224-V544 HydrophobicContact CD1-CG1 3.74Å; F224-V544 HydrophobicContact CE1-CG1 4.1Å; D225-V544 PolarHBondContact N-O 3.17Å; D225-V544 PolarHBondContact OD2-N 3.35Å; N226-V544 PolarHBondContact N-O 2.92Å; V544-E573 WeakPolarHBondContact CA-O 3.46Å; V544-V575 HydrophobicContact CG1-CG2 4.17Å
545T97.3Very high89.1Confident1 Ų147.3 Ų47.31%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-110.6119.1178.7-61.70000109.5N226 L228 I547 T572 E573 Y574 V575N226-T545 HydrophobicContact CB-CG2 3.97Å; N226-T545 PolarHBondContact ND2-OG1 3.17Å; N226-T545 VanDerWaalsContact ND2-OG1 3.09Å; N226-T545 WeakPolarHBondContact O-CA 3.36Å; L228-T545 HydrophobicContact CB-CG2 4.3Å; T545-I547 HydrophobicContact CG2-CG1 4.03Å; T545-T572 WeakPolarHBondContact OG1-CG2 3.42Å; T545-E573 PolarHBondContact N-O 3Å; T545-Y574 HydrophobicContact CG2-CD1 4.13Å; T545-Y574 HydrophobicContact CG2-CE1 4.19Å; T545-Y574 WeakPolarHBondContact O-CA 3.5Å; T545-V575 PolarHBondContact O-N 3.02Å
546L98.6Very high90.2Very high0 Ų042.5 Ų42.50%022%0.224CC..EExtended strand (participates in β ladder)trans-81.4116.8167.2178.660.9000108.5L179 L182 I189 F224 N226 L227 L228 V575 A577L179-L546 HydrophobicContact CD2-CD2 3.8Å; L182-L546 HydrophobicContact CD1-CD2 3.61Å; I189-L546 HydrophobicContact CD1-CB 4.48Å; I189-L546 HydrophobicContact CD1-CD2 3.83Å; F224-L546 HydrophobicContact CD1-CB 3.71Å; F224-L546 HydrophobicContact CE1-CB 3.92Å; F224-L546 HydrophobicContact CE1-CD1 4.34Å; F224-L546 HydrophobicContact CG-CB 4.23Å; N226-L546 PolarHBondContact O-N 3.36Å; L227-L546 CarbonylContact C-O 3.57Å; L227-L546 WeakPolarHBondContact CA-O 3.35Å; L227-L546 HydrophobicContact CD1-CB 4.28Å; L227-L546 HydrophobicContact CD1-CD2 4.01Å; L227-L546 HydrophobicContact CD1-CG 4Å; L228-L546 PolarHBondContact N-O 2.75Å; L546-V575 CarbonylContact C-O 3.46Å; L546-V575 WeakPolarHBondContact CA-O 3.33Å; L546-V575 HydrophobicContact CD1-CB 4.21Å; L546-V575 HydrophobicContact CD1-CG1 3.96Å; L546-A577 HydrophobicContact CD1-CB 4.01Å
547I98.8Very high91.4Very high0 Ų033 Ų330%018%0.182CC..EExtended strand (participates in β ladder)trans-100.1126.9171.6-54.6178.9000108.1L228 L230 A500 T545 F549 L561 Y574 V575 I576 A577L228-I547 HydrophobicContact CB-CG1 4.28Å; L228-I547 HydrophobicContact CD2-CD1 4.39Å; L228-I547 HydrophobicContact CD2-CG1 4.26Å; L228-I547 HydrophobicContact CD2-CG2 4.39Å; L228-I547 HydrophobicContact CG-CG2 4.35Å; L228-I547 CarbonylContact O-C 3.55Å; L228-I547 WeakPolarHBondContact O-CA 3.27Å; L230-I547 HydrophobicContact CD1-CG2 4.01Å; L230-I547 HydrophobicContact CG-CG2 4.47Å; A500-I547 HydrophobicContact CB-CD1 3.57Å; T545-I547 HydrophobicContact CG2-CG1 4.03Å; I547-F549 HydrophobicContact CB-CE2 4.25Å; I547-F549 HydrophobicContact CG2-CD2 3.83Å; I547-F549 HydrophobicContact CG2-CE2 3.47Å; I547-F549 VanDerWaalsContact CG2-CE2 3.47Å; I547-F549 HydrophobicContact CG2-CZ 4.06Å; I547-L561 HydrophobicContact CD1-CD1 3.92Å; I547-L561 HydrophobicContact CD1-CD2 3.41Å; I547-L561 VanDerWaalsContact CD1-CD2 3.41Å; I547-L561 HydrophobicContact CD1-CG 4.33Å; I547-Y574 HydrophobicContact CD1-CD1 3.44Å; I547-Y574 VanDerWaalsContact CD1-CD1 3.44Å; I547-Y574 HydrophobicContact CD1-CE1 3.88Å; I547-Y574 HydrophobicContact CD1-CG 4.17Å; I547-Y574 HydrophobicContact CG1-CD1 3.94Å; I547-V575 PolarHBondContact N-O 3.2Å; I547-I576 CarbonylContact O-C 3.46Å; I547-A577 PolarHBondContact O-N 3.3Å
548F98.9Very high92.8Very high0 Ų029.7 Ų29.70%017%0.17CC..EExtended strand (participates in β ladder)trans-110.2111.9172.7-152.9-56.2000110.1L144 M154 A175 L179 L227 L228 L229 L230 L550 A577 T579L144-F548 HydrophobicContact CD1-CE2 4.43Å; L144-F548 HydrophobicContact CD2-CE2 4.01Å; L144-F548 HydrophobicContact CD2-CZ 4.08Å; M154-F548 HydrophobicContact CG-CZ 3.98Å; M154-F548 HydrophobicContact SD-CE1 4.08Å; M154-F548 HydrophobicContact SD-CZ 3.64Å; A175-F548 HydrophobicContact CB-CE1 4.08Å; A175-F548 HydrophobicContact CB-CE2 4.25Å; A175-F548 HydrophobicContact CB-CZ 3.74Å; L179-F548 HydrophobicContact CD1-CD2 4.22Å; L179-F548 HydrophobicContact CD2-CD2 3.92Å; L179-F548 HydrophobicContact CD2-CE2 4.5Å; L179-F548 HydrophobicContact CG-CD2 4Å; L179-F548 HydrophobicContact CG-CE2 4.22Å; L227-F548 HydrophobicContact CD1-CB 4.45Å; L228-F548 PolarHBondContact O-N 2.85Å; L229-F548 HydrophobicContact CD2-CB 3.61Å; L229-F548 HydrophobicContact CD2-CG 4.37Å; L230-F548 PolarHBondContact N-O 2.9Å; F548-L550 HydrophobicContact CD1-CD2 3.61Å; F548-L550 HydrophobicContact CD1-CG 4.2Å; F548-L550 HydrophobicContact CE1-CD2 3.75Å; F548-L550 HydrophobicContact CG-CD2 4.48Å; F548-A577 CarbonylContact C-O 3.55Å; F548-A577 VanDerWaalsContact CA-O 3.27Å; F548-A577 WeakPolarHBondContact CA-O 3.31Å; F548-A577 HydrophobicContact CB-CB 4.34Å; F548-A577 HydrophobicContact CD1-CB 4.45Å; F548-A577 HydrophobicContact CD2-CB 3.47Å; F548-A577 VanDerWaalsContact CD2-CB 3.47Å; F548-A577 HydrophobicContact CE2-CB 3.78Å; F548-A577 HydrophobicContact CG-CB 3.85Å; F548-A577 HydrophobicContact CZ-CB 4.37Å; F548-T579 HydrophobicContact CE1-CG2 4.2Å
549F98.9Very high93.9Very high1 Ų122.3 Ų22.30%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-83.9112.6172.1-71.1-97.2000110.5L230 I547 V553 L561 I576 A577 T578 T579L230-F549 HydrophobicContact CD1-CE1 4.25Å; L230-F549 HydrophobicContact CD1-CZ 4.4Å; I547-F549 HydrophobicContact CB-CE2 4.25Å; I547-F549 HydrophobicContact CG2-CD2 3.83Å; I547-F549 HydrophobicContact CG2-CE2 3.47Å; I547-F549 VanDerWaalsContact CG2-CE2 3.47Å; I547-F549 HydrophobicContact CG2-CZ 4.06Å; F549-V553 HydrophobicContact CB-CB 3.94Å; F549-V553 HydrophobicContact CD1-CB 4.12Å; F549-V553 HydrophobicContact CD1-CG2 3.93Å; F549-V553 HydrophobicContact CD2-CB 3.95Å; F549-V553 HydrophobicContact CD2-CG2 3.73Å; F549-V553 HydrophobicContact CE1-CG2 3.93Å; F549-V553 HydrophobicContact CE2-CB 4.48Å; F549-V553 HydrophobicContact CE2-CG2 3.75Å; F549-V553 HydrophobicContact CG-CB 3.76Å; F549-V553 HydrophobicContact CG-CG2 3.82Å; F549-V553 HydrophobicContact CZ-CG2 3.85Å; F549-L561 HydrophobicContact CE2-CD1 3.78Å; F549-L561 HydrophobicContact CZ-CD1 3.98Å; F549-I576 HydrophobicContact CD2-CG2 3.98Å; F549-I576 HydrophobicContact CE2-CG2 4.11Å; F549-A577 PolarHBondContact N-O 3.47Å; F549-T578 WeakPolarHBondContact O-CA 3.42Å; F549-T578 PolarHBondContact O-OG1 3.38Å; F549-T579 PolarHBondContact O-N 3.32Å; F549-T579 VanDerWaalsContact O-N 3.09Å
550L98.6Very high95.3Very high2 Ų215.8 Ų15.81%0.019%0.093CC..EExtended strand (participates in β ladder)trans-93.2108179.3-62.4172.1000109.5L172 A175 C198 A199 V202 L229 L230 R232 F548 T579L172-L550 HydrophobicContact CD2-CD2 4.28Å; A175-L550 HydrophobicContact CB-CD2 3.91Å; C198-L550 HydrophobicContact CB-CB 4.33Å; C198-L550 HydrophobicContact CB-CD1 3.99Å; A199-L550 VanDerWaalsContact CA-CD1 3.43Å; A199-L550 HydrophobicContact CB-CD1 4.08Å; A199-L550 VanDerWaalsContact N-CD1 3.32Å; V202-L550 HydrophobicContact CB-CD1 4.29Å; V202-L550 HydrophobicContact CG2-CD1 3.85Å; V202-L550 HydrophobicContact CG2-CD2 3.97Å; L229-L550 HydrophobicContact CB-CD1 4.5Å; L230-L550 PolarHBondContact O-N 3Å; R232-L550 WeakPolarHBondContact CB-O 3.34Å; R232-L550 PolarHBondContact N-O 3.16Å; F548-L550 HydrophobicContact CD1-CD2 3.61Å; F548-L550 HydrophobicContact CD1-CG 4.2Å; F548-L550 HydrophobicContact CE1-CD2 3.75Å; F548-L550 HydrophobicContact CG-CD2 4.48Å; L550-T579 HydrophobicContact CD2-CG2 4.36Å
551G97.7Very high96.5Very high6 Ų612.1 Ų12.16%0.0626%0.055CC..SBendtrans113-24.1-174.800000112.4T579 M582G551-T579 VanDerWaalsContact CA-OG1 3.29Å; G551-T579 WeakPolarHBondContact CA-OG1 3.35Å; G551-T579 PolarHBondContact N-OG1 2.89Å; G551-M582 WeakPolarHBondContact O-CE 3.4Å
552G98.1Very high97.3Very high0 Ų09.6 Ų9.60%04%0.042CC..  trans133.2168.1166.800000114.6R232 T578 T579 K580 M582R232-G552 WeakPolarHBondContact CD-O 3.45Å; R232-G552 PolarHBondContact NH1-O 3.22Å; R232-G552 VanDerWaalsContact NH1-O 3.11Å; G552-T578 VanDerWaalsContact CA-OG1 3.31Å; G552-T578 WeakPolarHBondContact CA-OG1 3.25Å; G552-T579 PolarHBondContact N-OG1 2.94Å; G552-K580 CarbonylContact C-O 3.56Å; G552-K580 WeakPolarHBondContact CA-O 3.28Å; G552-M582 VanDerWaalsContact CA-CE 3.5Å
553V98.8Very high97.9Very high0 Ų08.6 Ų8.60%04%0.036CC..BIsolated β-bridgetrans-139.4149.5-17771.80000111.2F549 E557 I558 I576 T578 K580 L581 M582F549-V553 HydrophobicContact CB-CB 3.94Å; F549-V553 HydrophobicContact CD1-CB 4.12Å; F549-V553 HydrophobicContact CD1-CG2 3.93Å; F549-V553 HydrophobicContact CD2-CB 3.95Å; F549-V553 HydrophobicContact CD2-CG2 3.73Å; F549-V553 HydrophobicContact CE1-CG2 3.93Å; F549-V553 HydrophobicContact CE2-CB 4.48Å; F549-V553 HydrophobicContact CE2-CG2 3.75Å; F549-V553 HydrophobicContact CG-CB 3.76Å; F549-V553 HydrophobicContact CG-CG2 3.82Å; F549-V553 HydrophobicContact CZ-CG2 3.85Å; V553-E557 HydrophobicContact CG2-CB 3.62Å; V553-E557 HydrophobicContact CG2-CG 4.43Å; V553-I558 HydrophobicContact CG1-CD1 3.99Å; V553-I558 HydrophobicContact CG1-CG1 4.23Å; V553-I558 HydrophobicContact CG2-CG1 4.23Å; V553-I576 HydrophobicContact CG1-CG2 4.42Å; V553-T578 HydrophobicContact CG1-CG2 3.73Å; V553-T578 PolarHBondContact N-OG1 2.93Å; V553-K580 PolarHBondContact N-O 3.45Å; V553-L581 HydrophobicContact CG1-CD2 3.88Å; V553-M582 PolarHBondContact O-N 3.35Å
554T98.8Very high98.1Very high0 Ų03 Ų30%02%0.016CC..  trans-92.4159.3175.363.40000112.7P239 A556 E557 I558 M582P239-T554 HydrophobicContact CB-CG2 3.97Å; P239-T554 HydrophobicContact CG-CG2 4.45Å; T554-A556 VanDerWaalsContact C-N 3.28Å; T554-A556 PolarHBondContact O-N 2.92Å; T554-E557 PolarHBondContact N-OE2 3.27Å; T554-E557 PolarHBondContact O-N 3.08Å; T554-E557 WeakPolarHBondContact OG1-CB 3.2Å; T554-E557 VanDerWaalsContact OG1-CG 3.24Å; T554-E557 WeakPolarHBondContact OG1-CG 3.5Å; T554-E557 PolarHBondContact OG1-N 2.78Å; T554-E557 VanDerWaalsContact OG1-N 3.11Å; T554-E557 PolarHBondContact OG1-OE2 3.02Å; T554-I558 WeakPolarHBondContact O-CG1 3.4Å; T554-I558 PolarHBondContact O-N 3.11Å; T554-I558 VanDerWaalsContact O-N 3.11Å; T554-M582 WeakPolarHBondContact CA-O 3.16Å
555F98.8Very high98.1Very high8 Ų84.2 Ų4.24%0.0352%0.024CC..Hα-helixtrans-66-30.8172.5-72.1-74.1000112.5E247 D251 I256 I558 A559 L581E247-F555 HydrophobicContact CG-CB 3.98Å; E247-F555 HydrophobicContact CG-CD1 3.54Å; E247-F555 HydrophobicContact CG-CD2 4.38Å; E247-F555 HydrophobicContact CG-CE1 4.04Å; E247-F555 HydrophobicContact CG-CG 3.72Å; E247-F555 VanDerWaalsContact OE2-CD1 3.28Å; E247-F555 WeakPolarHBondContact OE2-CD1 3.46Å; D251-F555 HydrophobicContact CB-CD2 3.73Å; D251-F555 HydrophobicContact CB-CE2 3.99Å; I256-F555 HydrophobicContact CB-CE2 3.94Å; I256-F555 HydrophobicContact CB-CZ 4.08Å; I256-F555 HydrophobicContact CD1-CD2 4.44Å; I256-F555 HydrophobicContact CD1-CE2 3.97Å; I256-F555 HydrophobicContact CD1-CZ 4.11Å; I256-F555 HydrophobicContact CG1-CE2 4.43Å; I256-F555 HydrophobicContact CG2-CE2 4.34Å; I256-F555 HydrophobicContact CG2-CZ 3.95Å; F555-I558 HydrophobicContact CD1-CD1 4.2Å; F555-I558 PolarHBondContact O-N 2.69Å; F555-A559 WeakPolarHBondContact O-CB 3.49Å; F555-A559 PolarHBondContact O-N 2.61Å; F555-L581 HydrophobicContact CE1-CD1 4.35Å; F555-L581 HydrophobicContact CE1-CD2 4.49Å; F555-L581 HydrophobicContact CZ-CD1 4.09Å
556A98.8Very high97.8Very high0 Ų011 Ų110%06%0.055CC..Hα-helixtrans-64.7-40.2172.300000112.7Q243 V488 Y489 T554 I558 A559 A560Q243-A556 HydrophobicContact CB-CB 3.98Å; Q243-A556 HydrophobicContact CG-CB 3.73Å; V488-A556 HydrophobicContact CB-CB 4.14Å; V488-A556 HydrophobicContact CG2-CB 4.33Å; Y489-A556 HydrophobicContact CE1-CB 4.43Å; Y489-A556 HydrophobicContact CE2-CB 3.6Å; Y489-A556 WeakPolarHBondContact OH-CB 3.4Å; T554-A556 VanDerWaalsContact C-N 3.28Å; T554-A556 PolarHBondContact O-N 2.92Å; A556-I558 VanDerWaalsContact C-N 3.34Å; A556-A559 PolarHBondContact O-N 2.69Å; A556-A560 WeakPolarHBondContact O-CB 3.34Å; A556-A560 PolarHBondContact O-N 2.72Å
557E98.9Very high97.3Very high0 Ų013.9 Ų13.90%07%0.071CC..Hα-helixtrans-63.7-40.5172.5-75.3168.4118.100111.7R232 T238 P494 S496 V497 V553 T554 A560 L561R232-E557 IonicContact CZ-OE1 3.15Å; R232-E557 VanDerWaalsContact CZ-OE1 3.27Å; R232-E557 VanDerWaalsContact NH1-CD 3.25Å; R232-E557 IonicContact NH1-OE1 3.98Å; R232-E557 PolarHBondContact NH1-OE1 3.4Å; R232-E557 IonicContact NH1-OE2 3.76Å; R232-E557 PolarHBondContact NH1-OE2 3.17Å; R232-E557 IonicContact NH2-OE1 3Å; R232-E557 PolarHBondContact NH2-OE1 3.14Å; T238-E557 HydrophobicContact CG2-CG 3.54Å; P494-E557 HydrophobicContact CB-CG 3.99Å; P494-E557 HydrophobicContact CG-CG 4.4Å; S496-E557 WeakPolarHBondContact CB-OE1 3.4Å; S496-E557 PolarHBondContact OG-OE1 3.41Å; V497-E557 HydrophobicContact CG2-CB 3.89Å; V497-E557 HydrophobicContact CG2-CG 3.99Å; V553-E557 HydrophobicContact CG2-CB 3.62Å; V553-E557 HydrophobicContact CG2-CG 4.43Å; T554-E557 PolarHBondContact N-OE2 3.27Å; T554-E557 PolarHBondContact O-N 3.08Å; T554-E557 WeakPolarHBondContact OG1-CB 3.2Å; T554-E557 VanDerWaalsContact OG1-CG 3.24Å; T554-E557 WeakPolarHBondContact OG1-CG 3.5Å; T554-E557 PolarHBondContact OG1-N 2.78Å; T554-E557 VanDerWaalsContact OG1-N 3.11Å; T554-E557 PolarHBondContact OG1-OE2 3.02Å; E557-A560 PolarHBondContact O-N 2.82Å; E557-L561 WeakPolarHBondContact O-CG 3.48Å; E557-L561 PolarHBondContact O-N 3.37Å
558I98.8Very high95.9Very high0 Ų023.1 Ų23.10%011%0.114CC..Hα-helixtrans-62.8-47.3175.4-66.9163.8000110.6L151 V553 T554 F555 A556 A560 L561 R562 I576 L581L151-I558 HydrophobicContact CD1-CD1 3.78Å; L151-I558 HydrophobicContact CD1-CG1 4.35Å; L151-I558 HydrophobicContact CD2-CD1 3.97Å; V553-I558 HydrophobicContact CG1-CD1 3.99Å; V553-I558 HydrophobicContact CG1-CG1 4.23Å; V553-I558 HydrophobicContact CG2-CG1 4.23Å; T554-I558 WeakPolarHBondContact O-CG1 3.4Å; T554-I558 PolarHBondContact O-N 3.11Å; T554-I558 VanDerWaalsContact O-N 3.11Å; F555-I558 HydrophobicContact CD1-CD1 4.2Å; F555-I558 PolarHBondContact O-N 2.69Å; A556-I558 VanDerWaalsContact C-N 3.34Å; I558-A560 VanDerWaalsContact C-N 3.29Å; I558-A560 PolarHBondContact O-N 3.1Å; I558-L561 PolarHBondContact O-N 2.93Å; I558-L561 VanDerWaalsContact O-N 3.14Å; I558-R562 HydrophobicContact CG2-CG 4.5Å; I558-R562 WeakPolarHBondContact O-CG 3.42Å; I558-R562 PolarHBondContact O-N 2.78Å; I558-I576 HydrophobicContact CG1-CG2 4.45Å; I558-I576 HydrophobicContact CG2-CD1 4.48Å; I558-L581 HydrophobicContact CD1-CD2 3.46Å; I558-L581 VanDerWaalsContact CD1-CD2 3.46Å
559A98.8Very high94.6Very high0 Ų029.8 Ų29.80%015%0.149CC..Hα-helixtrans-58.2-42.2176.700000111.7T245 D301 V488 F555 A556 R562 F563T245-A559 HydrophobicContact CG2-CB 3.87Å; D301-A559 HydrophobicContact CB-CB 3.79Å; D301-A559 WeakPolarHBondContact OD1-CA 3.45Å; V488-A559 HydrophobicContact CG1-CB 4.22Å; F555-A559 WeakPolarHBondContact O-CB 3.49Å; F555-A559 PolarHBondContact O-N 2.61Å; A556-A559 PolarHBondContact O-N 2.69Å; A559-R562 PolarHBondContact O-N 2.8Å; A559-F563 WeakPolarHBondContact O-CB 3.3Å; A559-F563 PolarHBondContact O-N 3.48Å
560A98.6Very high93.1Very high0 Ų031.1 Ų31.10%016%0.163CC..Hα-helixtrans-64.2-39.8175.700000112.7I485 V488 V497 A556 E557 I558 F563 L564I485-A560 HydrophobicContact CB-CB 3.95Å; I485-A560 HydrophobicContact CG2-CB 3.91Å; V488-A560 HydrophobicContact CG1-CB 4.08Å; V488-A560 HydrophobicContact CG2-CB 4.32Å; V497-A560 HydrophobicContact CB-CB 4.33Å; V497-A560 HydrophobicContact CG1-CB 3.81Å; V497-A560 HydrophobicContact CG2-CB 4.14Å; A556-A560 WeakPolarHBondContact O-CB 3.34Å; A556-A560 PolarHBondContact O-N 2.72Å; E557-A560 PolarHBondContact O-N 2.82Å; I558-A560 VanDerWaalsContact C-N 3.29Å; I558-A560 PolarHBondContact O-N 3.1Å; A560-F563 WeakPolarHBondContact O-CB 3.3Å; A560-F563 PolarHBondContact O-N 2.79Å; A560-L564 WeakPolarHBondContact O-CG 3.32Å; A560-L564 PolarHBondContact O-N 3Å
561L98.2Very high92.4Very high1 Ų132.4 Ų32.41%0.00518%0.177CC..Hα-helixtrans-68.3-37175.1-74168.6000112.8V497 A500 I547 F549 E557 I558 L564 S565 Y574 I576V497-L561 HydrophobicContact CG1-CD2 3.83Å; V497-L561 HydrophobicContact CG1-CG 3.98Å; V497-L561 HydrophobicContact CG2-CG 4.1Å; A500-L561 HydrophobicContact CB-CD2 4.11Å; I547-L561 HydrophobicContact CD1-CD1 3.92Å; I547-L561 HydrophobicContact CD1-CD2 3.41Å; I547-L561 VanDerWaalsContact CD1-CD2 3.41Å; I547-L561 HydrophobicContact CD1-CG 4.33Å; F549-L561 HydrophobicContact CE2-CD1 3.78Å; F549-L561 HydrophobicContact CZ-CD1 3.98Å; E557-L561 WeakPolarHBondContact O-CG 3.48Å; E557-L561 PolarHBondContact O-N 3.37Å; I558-L561 PolarHBondContact O-N 2.93Å; I558-L561 VanDerWaalsContact O-N 3.14Å; L561-L564 PolarHBondContact O-N 2.7Å; L561-S565 PolarHBondContact O-N 3.4Å; L561-S565 PolarHBondContact O-OG 3.34Å; L561-Y574 HydrophobicContact CD2-CD1 4.22Å; L561-Y574 HydrophobicContact CD2-CD2 4.09Å; L561-Y574 HydrophobicContact CD2-CE2 4.45Å; L561-Y574 HydrophobicContact CD2-CG 3.95Å; L561-I576 HydrophobicContact CB-CD1 4.32Å; L561-I576 HydrophobicContact CB-CG1 4.48Å; L561-I576 HydrophobicContact CD1-CD1 4.35Å; L561-I576 HydrophobicContact CD1-CG1 3.63Å
562R97Very high92.2Very high8 Ų832.4 Ų32.43%0.0318%0.176CC..Hα-helixtrans-65.3-42.4172.3-73.8173.5176.31511.7111.3D150 E247 R300 D301 I558 A559 L564 S565 Q566D150-R562 IonicContact OD1-CZ 2.82Å; D150-R562 IonicContact OD1-NE 3.3Å; D150-R562 IonicContact OD1-NH2 3.9Å; D150-R562 PolarHBondContact OD1-NH2 3.48Å; D150-R562 WeakPolarHBondContact OD2-CG 3.09Å; D150-R562 IonicContact OD2-CZ 2.67Å; D150-R562 IonicContact OD2-NE 3.69Å; D150-R562 PolarHBondContact OD2-NE 3.34Å; D150-R562 IonicContact OD2-NH2 3.68Å; E247-R562 IonicContact OE2-NH1 3.51Å; R300-R562 VanDerWaalsContact NE-NH1 3.14Å; R300-R562 VanDerWaalsContact NH2-CZ 3.27Å; D301-R562 VanDerWaalsContact OD1-CD 3.3Å; D301-R562 WeakPolarHBondContact OD1-CD 3.35Å; D301-R562 IonicContact OD1-NH1 3.69Å; D301-R562 PolarHBondContact OD1-NH1 2.69Å; D301-R562 VanDerWaalsContact OD1-NH1 3.11Å; D301-R562 WeakPolarHBondContact OD2-CD 3.14Å; I558-R562 HydrophobicContact CG2-CG 4.5Å; I558-R562 WeakPolarHBondContact O-CG 3.42Å; I558-R562 PolarHBondContact O-N 2.78Å; A559-R562 PolarHBondContact O-N 2.8Å; R562-L564 PolarHBondContact O-N 3.22Å; R562-S565 WeakPolarHBondContact O-CB 3.41Å; R562-S565 PolarHBondContact O-N 3.26Å; R562-S565 VanDerWaalsContact O-N 3.16Å; R562-Q566 WeakPolarHBondContact O-CG 3.37Å; R562-Q566 PolarHBondContact O-N 2.74Å; R562-Q566 VanDerWaalsContact O-N 3.17Å
563F96.9Very high92Very high26 Ų2634.3 Ų34.311%0.11419%0.185CC..Hα-helixtrans-57-48.2172.7175.2-95.3000111.3P482 I485 Y487 A559 A560 S565 Q566 L567P482-F563 HydrophobicContact CB-CE2 4.35Å; P482-F563 HydrophobicContact CG-CD2 4.47Å; P482-F563 HydrophobicContact CG-CE2 3.91Å; P482-F563 WeakPolarHBondContact O-CZ 3.46Å; I485-F563 HydrophobicContact CG2-CD1 3.78Å; I485-F563 HydrophobicContact CG2-CE1 4.4Å; Y487-F563 HydrophobicContact CE1-CB 3.94Å; Y487-F563 HydrophobicContact CE1-CD1 4.28Å; Y487-F563 AromaticContact CE1-CD2 3.91Å; Y487-F563 HydrophobicContact CE1-CD2 3.91Å; Y487-F563 AromaticContact CE1-CG 3.77Å; Y487-F563 HydrophobicContact CE1-CG 3.77Å; A559-F563 WeakPolarHBondContact O-CB 3.3Å; A559-F563 PolarHBondContact O-N 3.48Å; A560-F563 WeakPolarHBondContact O-CB 3.3Å; A560-F563 PolarHBondContact O-N 2.79Å; F563-S565 VanDerWaalsContact C-N 3.29Å; F563-S565 PolarHBondContact O-N 2.65Å; F563-Q566 PolarHBondContact O-N 2.74Å; F563-Q566 VanDerWaalsContact O-N 3.1Å; F563-L567 HydrophobicContact CE1-CD1 4.19Å; F563-L567 HydrophobicContact CE1-CD2 4.07Å; F563-L567 HydrophobicContact CE1-CG 4.36Å; F563-L567 HydrophobicContact CZ-CD2 3.98Å; F563-L567 PolarHBondContact O-N 3.27Å
564L96Very high91.9Very high7 Ų734.8 Ų34.84%0.03719%0.187CC..Hα-helixtrans-61.4-36.2176.3-68.5177.7000113I485 V497 Q501 A560 L561 R562 Q566 L567 Y574I485-L564 HydrophobicContact CG2-CD1 4.14Å; I485-L564 HydrophobicContact CG2-CD2 3.67Å; I485-L564 HydrophobicContact CG2-CG 3.63Å; V497-L564 HydrophobicContact CG1-CD1 3.66Å; Q501-L564 HydrophobicContact CB-CD1 3.78Å; Q501-L564 HydrophobicContact CG-CD1 4.12Å; Q501-L564 HydrophobicContact CG-CD2 3.96Å; A560-L564 WeakPolarHBondContact O-CG 3.32Å; A560-L564 PolarHBondContact O-N 3Å; L561-L564 PolarHBondContact O-N 2.7Å; R562-L564 PolarHBondContact O-N 3.22Å; L564-Q566 PolarHBondContact O-N 3.15Å; L564-L567 HydrophobicContact CD2-CD1 3.85Å; L564-L567 PolarHBondContact O-N 3.34Å; L564-Y574 HydrophobicContact CB-CD2 4.2Å; L564-Y574 HydrophobicContact CB-CE2 3.75Å; L564-Y574 HydrophobicContact CD1-CE2 4.23Å
565S94.6Very high91.8Very high29 Ų2934.9 Ų34.920%0.20319%0.188CC..Hα-helixtrans-67-22.6177.5-58.10000113.2L561 R562 F563 T572 Y574L561-S565 PolarHBondContact O-N 3.4Å; L561-S565 PolarHBondContact O-OG 3.34Å; R562-S565 WeakPolarHBondContact O-CB 3.41Å; R562-S565 PolarHBondContact O-N 3.26Å; R562-S565 VanDerWaalsContact O-N 3.16Å; F563-S565 VanDerWaalsContact C-N 3.29Å; F563-S565 PolarHBondContact O-N 2.65Å; S565-T572 WeakPolarHBondContact CA-O 3.24Å; S565-Y574 WeakPolarHBondContact OG-CD2 3.37Å; S565-Y574 PolarHBondContact OG-N 2.9Å
566Q92.4Very high91.8Very high142 Ų14234.5 Ų34.566%0.66419%0.186SC*.Hα-helixtrans-89.9-12.4179.7-68.6171.213.500113.3R562 F563 L564 E568R562-Q566 WeakPolarHBondContact O-CG 3.37Å; R562-Q566 PolarHBondContact O-N 2.74Å; R562-Q566 VanDerWaalsContact O-N 3.17Å; F563-Q566 PolarHBondContact O-N 2.74Å; F563-Q566 VanDerWaalsContact O-N 3.1Å; L564-Q566 PolarHBondContact O-N 3.15Å; Q566-E568 PolarHBondContact O-N 3.31Å
567L87.4Confident91.8Very high62 Ų6234.5 Ų34.533%0.32519%0.186SC..  trans-68.6125.4178.5-65.3178.1000110.5F563 L564 D569 G570F563-L567 HydrophobicContact CE1-CD1 4.19Å; F563-L567 HydrophobicContact CE1-CD2 4.07Å; F563-L567 HydrophobicContact CE1-CG 4.36Å; F563-L567 HydrophobicContact CZ-CD2 3.98Å; F563-L567 PolarHBondContact O-N 3.27Å; L564-L567 HydrophobicContact CD2-CD1 3.85Å; L564-L567 PolarHBondContact O-N 3.34Å; L567-D569 PolarHBondContact O-N 2.89Å; L567-G570 PolarHBondContact O-N 3.09Å
568E69.5Low91.8Very high194 Ų19434.5 Ų34.591%0.90719%0.186SC*.THydrogen-bonded Turntrans-55.5-38.7-179.6-63.8-177.3165.800112.2Q566Q566-E568 PolarHBondContact O-N 3.31Å
569D71.7Confident91.8Very high139 Ų13934.6 Ų34.674%0.74319%0.186SC*.THydrogen-bonded Turntrans-85.9-3.6178.4-71.7-32.4000114.5L567 G571L567-D569 PolarHBondContact O-N 2.89Å; D569-G571 VanDerWaalsContact C-N 3.35Å; D569-G571 PolarHBondContact O-N 2.8Å
570G67.7Low91.7Very high29 Ų2936.1 Ų36.130%0.29919%0.193SC..THydrogen-bonded Turntrans-69.6-31.7-172.800000113.2L567 T572L567-G570 PolarHBondContact O-N 3.09Å; G570-T572 PolarHBondContact O-N 2.96Å; G570-T572 PolarHBondContact O-OG1 2.95Å
571G83.8Confident91.7Very high29 Ų2937 Ų3730%0.29920%0.198SC..  trans56.912.9176.400000114.6N542 R543 D569N542-G571 CarbonylContact C-O 3.3Å; N542-G571 VanDerWaalsContact CA-O 3.23Å; N542-G571 WeakPolarHBondContact CA-O 3.37Å; N542-G571 WeakPolarHBondContact OD1-CA 3.34Å; R543-G571 PolarHBondContact N-O 3.2Å; D569-G571 VanDerWaalsContact C-N 3.35Å; D569-G571 PolarHBondContact O-N 2.8Å
572T91.9Very high91.7Very high7 Ų737.5 Ų37.54%0.04320%0.2CC..EExtended strand (participates in β ladder)trans-144.1130.7-174.3-50.20000109.9S504 R543 T545 S565 G570 Y574S504-T572 WeakPolarHBondContact CB-OG1 3.4Å; S504-T572 PolarHBondContact OG-OG1 2.95Å; R543-T572 HydrophobicContact CB-CG2 4.49Å; R543-T572 CarbonylContact O-C 3.51Å; R543-T572 VanDerWaalsContact O-CA 3.23Å; R543-T572 WeakPolarHBondContact O-CA 3.44Å; T545-T572 WeakPolarHBondContact OG1-CG2 3.42Å; S565-T572 WeakPolarHBondContact CA-O 3.24Å; G570-T572 PolarHBondContact O-N 2.96Å; G570-T572 PolarHBondContact O-OG1 2.95Å; T572-Y574 HydrophobicContact CG2-CD1 4.18Å; T572-Y574 HydrophobicContact CG2-CE1 3.76Å; T572-Y574 HydrophobicContact CG2-CE2 4.19Å
573E93.9Very high91.7Very high40 Ų4037.6 Ų37.619%0.18720%0.201CC..EExtended strand (participates in β ladder)trans-103.5132.6168.7-176.2177.2157.100108.3R9 R543 V544 T545R9-E573 WeakPolarHBondContact CD-OE2 3.23Å; R9-E573 WeakPolarHBondContact CG-OE2 3.36Å; R9-E573 PolarHBondContact N-OE1 2.96Å; R9-E573 IonicContact NE-OE2 3.7Å; R9-E573 PolarHBondContact NE-OE2 3.46Å; R543-E573 PolarHBondContact O-N 2.82Å; V544-E573 WeakPolarHBondContact CA-O 3.46Å; T545-E573 PolarHBondContact N-O 3Å
574Y96.6Very high91.7Very high10 Ų1036.3 Ų36.34%0.03920%0.196CC..EExtended strand (participates in β ladder)trans-103.8130-178.3-63.2-75.3000110.9A500 S504 T545 I547 L561 L564 S565 T572A500-Y574 HydrophobicContact CB-CE1 4.39Å; A500-Y574 PolarHBondContact O-OH 2.93Å; S504-Y574 PolarHBondContact OG-OH 3.4Å; T545-Y574 HydrophobicContact CG2-CD1 4.13Å; T545-Y574 HydrophobicContact CG2-CE1 4.19Å; T545-Y574 WeakPolarHBondContact O-CA 3.5Å; I547-Y574 HydrophobicContact CD1-CD1 3.44Å; I547-Y574 VanDerWaalsContact CD1-CD1 3.44Å; I547-Y574 HydrophobicContact CD1-CE1 3.88Å; I547-Y574 HydrophobicContact CD1-CG 4.17Å; I547-Y574 HydrophobicContact CG1-CD1 3.94Å; L561-Y574 HydrophobicContact CD2-CD1 4.22Å; L561-Y574 HydrophobicContact CD2-CD2 4.09Å; L561-Y574 HydrophobicContact CD2-CE2 4.45Å; L561-Y574 HydrophobicContact CD2-CG 3.95Å; L564-Y574 HydrophobicContact CB-CD2 4.2Å; L564-Y574 HydrophobicContact CB-CE2 3.75Å; L564-Y574 HydrophobicContact CD1-CE2 4.23Å; S565-Y574 WeakPolarHBondContact OG-CD2 3.37Å; S565-Y574 PolarHBondContact OG-N 2.9Å; T572-Y574 HydrophobicContact CG2-CD1 4.18Å; T572-Y574 HydrophobicContact CG2-CE1 3.76Å; T572-Y574 HydrophobicContact CG2-CE2 4.19Å
575V97.9Very high91.8Very high2 Ų237.9 Ų37.91%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-109.4132.9164.4178.40000107V10 L12 F224 V544 T545 L546 I547V10-V575 HydrophobicContact CB-CG2 4.32Å; V10-V575 HydrophobicContact CG2-CG2 3.79Å; L12-V575 HydrophobicContact CD1-CG1 4.49Å; F224-V575 HydrophobicContact CE1-CB 3.87Å; F224-V575 HydrophobicContact CE1-CG1 4.15Å; F224-V575 HydrophobicContact CE1-CG2 3.93Å; F224-V575 HydrophobicContact CZ-CG1 4.46Å; V544-V575 HydrophobicContact CG1-CG2 4.17Å; T545-V575 PolarHBondContact O-N 3.02Å; L546-V575 CarbonylContact C-O 3.46Å; L546-V575 WeakPolarHBondContact CA-O 3.33Å; L546-V575 HydrophobicContact CD1-CB 4.21Å; L546-V575 HydrophobicContact CD1-CG1 3.96Å; I547-V575 PolarHBondContact N-O 3.2Å
576I98.7Very high91.9Very high0 Ų038.5 Ų38.50%021%0.21CC..EExtended strand (participates in β ladder)trans-105.4128.7-173.4-56.492000109D150 L151 L152 I547 F549 V553 I558 L561D150-I576 PolarHBondContact O-N 3.41Å; L151-I576 CarbonylContact C-O 3.21Å; L151-I576 WeakPolarHBondContact CA-O 3.49Å; L151-I576 HydrophobicContact CD1-CB 3.89Å; L151-I576 HydrophobicContact CD1-CG2 3.89Å; L152-I576 PolarHBondContact N-O 3.11Å; I547-I576 CarbonylContact O-C 3.46Å; F549-I576 HydrophobicContact CD2-CG2 3.98Å; F549-I576 HydrophobicContact CE2-CG2 4.11Å; V553-I576 HydrophobicContact CG1-CG2 4.42Å; I558-I576 HydrophobicContact CG1-CG2 4.45Å; I558-I576 HydrophobicContact CG2-CD1 4.48Å; L561-I576 HydrophobicContact CB-CD1 4.32Å; L561-I576 HydrophobicContact CB-CG1 4.48Å; L561-I576 HydrophobicContact CD1-CD1 4.35Å; L561-I576 HydrophobicContact CD1-CG1 3.63Å
577A98.8Very high92.1Very high0 Ų032 Ų320%018%0.179CC..EExtended strand (participates in β ladder)trans-116.3149.5162.200000109.1L152 L546 I547 F548 F549L152-A577 HydrophobicContact CB-CB 4.14Å; L152-A577 CarbonylContact O-C 3.54Å; L152-A577 VanDerWaalsContact O-CA 3.3Å; L152-A577 WeakPolarHBondContact O-CA 3.34Å; L546-A577 HydrophobicContact CD1-CB 4.01Å; I547-A577 PolarHBondContact O-N 3.3Å; F548-A577 CarbonylContact C-O 3.55Å; F548-A577 VanDerWaalsContact CA-O 3.27Å; F548-A577 WeakPolarHBondContact CA-O 3.31Å; F548-A577 HydrophobicContact CB-CB 4.34Å; F548-A577 HydrophobicContact CD1-CB 4.45Å; F548-A577 HydrophobicContact CD2-CB 3.47Å; F548-A577 VanDerWaalsContact CD2-CB 3.47Å; F548-A577 HydrophobicContact CE2-CB 3.78Å; F548-A577 HydrophobicContact CG-CB 3.85Å; F548-A577 HydrophobicContact CZ-CB 4.37Å; F549-A577 PolarHBondContact N-O 3.47Å
578T98.8Very high92.6Very high0 Ų029 Ų290%016%0.164CC..EExtended strand (participates in β ladder)trans-151.2156.1178.9-168.80000111.5L152 S153 M154 F549 G552 V553 K580 L581L152-T578 PolarHBondContact O-N 3.31Å; L152-T578 VanDerWaalsContact O-N 3.08Å; S153-T578 CarbonylContact C-O 3.3Å; S153-T578 WeakPolarHBondContact CA-O 3.32Å; M154-T578 PolarHBondContact N-O 3.47Å; F549-T578 WeakPolarHBondContact O-CA 3.42Å; F549-T578 PolarHBondContact O-OG1 3.38Å; G552-T578 VanDerWaalsContact CA-OG1 3.31Å; G552-T578 WeakPolarHBondContact CA-OG1 3.25Å; V553-T578 HydrophobicContact CG1-CG2 3.73Å; V553-T578 PolarHBondContact N-OG1 2.93Å; T578-K580 VanDerWaalsContact C-N 3.33Å; T578-K580 PolarHBondContact OG1-N 2.81Å; T578-K580 PolarHBondContact OG1-O 3.06Å; T578-L581 HydrophobicContact CG2-CD2 4.3Å; T578-L581 HydrophobicContact CG2-CG 4.38Å
579T98.4Very high93.9Very high1 Ų124.8 Ų24.81%0.00614%0.144CC..SBendtrans-66.4-39.416854.40000111.2M154 E155 S156 A159 F548 F549 L550 G551 G552M154-T579 HydrophobicContact SD-CG2 3.83Å; E155-T579 PolarHBondContact N-O 3.31Å; S156-T579 PolarHBondContact N-O 3.02Å; A159-T579 HydrophobicContact CB-CG2 3.88Å; F548-T579 HydrophobicContact CE1-CG2 4.2Å; F549-T579 PolarHBondContact O-N 3.32Å; F549-T579 VanDerWaalsContact O-N 3.09Å; L550-T579 HydrophobicContact CD2-CG2 4.36Å; G551-T579 VanDerWaalsContact CA-OG1 3.29Å; G551-T579 WeakPolarHBondContact CA-OG1 3.35Å; G551-T579 PolarHBondContact N-OG1 2.89Å; G552-T579 PolarHBondContact N-OG1 2.94Å
580K97.7Very high95Very high33 Ų3320 Ų2014%0.14312%0.124CC..  trans-158.5139-179-175.458.2-170.2161.20111.8E155 E157 G552 V553 T578E155-K580 VanDerWaalsContact CD-NZ 3.28Å; E155-K580 IonicContact OE1-NZ 2.71Å; E155-K580 PolarHBondContact OE1-NZ 2.9Å; E155-K580 IonicContact OE2-NZ 3.83Å; E155-K580 PolarHBondContact OE2-NZ 3.5Å; E157-K580 HydrophobicContact CG-CD 4.25Å; G552-K580 CarbonylContact C-O 3.56Å; G552-K580 WeakPolarHBondContact CA-O 3.28Å; V553-K580 PolarHBondContact N-O 3.45Å; T578-K580 VanDerWaalsContact C-N 3.33Å; T578-K580 PolarHBondContact OG1-N 2.81Å; T578-K580 PolarHBondContact OG1-O 3.06Å
581L98.2Very high96.3Very high18 Ų1818.7 Ų18.79%0.09411%0.11CC..BIsolated β-bridgetrans-73.7124.6163.2-67.1169.9000109F147 L151 V553 F555 I558 T578F147-L581 HydrophobicContact CD1-CD1 3.66Å; F147-L581 HydrophobicContact CE1-CD1 3.59Å; F147-L581 HydrophobicContact CG-CD1 4.31Å; F147-L581 HydrophobicContact CZ-CD1 4.24Å; L151-L581 HydrophobicContact CD1-CD2 4.25Å; L151-L581 HydrophobicContact CD2-CD1 4.23Å; L151-L581 HydrophobicContact CD2-CD2 4.15Å; V553-L581 HydrophobicContact CG1-CD2 3.88Å; F555-L581 HydrophobicContact CE1-CD1 4.35Å; F555-L581 HydrophobicContact CE1-CD2 4.49Å; F555-L581 HydrophobicContact CZ-CD1 4.09Å; I558-L581 HydrophobicContact CD1-CD2 3.46Å; I558-L581 VanDerWaalsContact CD1-CD2 3.46Å; T578-L581 HydrophobicContact CG2-CD2 4.3Å; T578-L581 HydrophobicContact CG2-CG 4.38Å
582M96.9Very high96.9Very high11 Ų1119.1 Ų19.15%0.05410%0.104CC..  trans-139.3164.8-173.866.5156.57600112.5P239 G551 G552 V553 T554 W587P239-M582 HydrophobicContact CB-SD 4.12Å; P239-M582 HydrophobicContact CG-SD 4.41Å; G551-M582 WeakPolarHBondContact O-CE 3.4Å; G552-M582 VanDerWaalsContact CA-CE 3.5Å; V553-M582 PolarHBondContact O-N 3.35Å; T554-M582 WeakPolarHBondContact CA-O 3.16Å; M582-W587 HydrophobicContact CE-CG 4.25Å; M582-W587 HydrophobicContact SD-CB 3.9Å; M582-W587 HydrophobicContact SD-CD2 4.22Å; M582-W587 HydrophobicContact SD-CG 3.86Å
583N97.9Very high96.7Very high10 Ų1022 Ų225%0.05312%0.117CC..  trans-134175.816259.448.1000110.3D251 T585 S586 W587D251-N583 PolarHBondContact O-ND2 3.39Å; D251-N583 PolarHBondContact OD1-ND2 3.34Å; D251-N583 VanDerWaalsContact OD2-CB 3.31Å; D251-N583 WeakPolarHBondContact OD2-CB 3.47Å; D251-N583 PolarHBondContact OD2-ND2 3.3Å; N583-T585 PolarHBondContact O-N 2.98Å; N583-T585 WeakPolarHBondContact OD1-CA 3.32Å; N583-T585 WeakPolarHBondContact OD1-CB 3.26Å; N583-T585 PolarHBondContact OD1-N 2.73Å; N583-S586 PolarHBondContact N-OG 2.8Å; N583-S586 PolarHBondContact O-N 3.35Å; N583-S586 PolarHBondContact O-OG 3.43Å; N583-S586 PolarHBondContact OD1-N 2.93Å; N583-S586 PolarHBondContact OD1-OG 3.21Å; N583-W587 WeakPolarHBondContact O-CB 3.3Å; N583-W587 PolarHBondContact O-N 3.07Å
584G97.6Very high95.7Very high0 Ų028.7 Ų28.70%015%0.146CC..Hα-helixtrans-59-32-178.100000114.2P239 I588P239-G584 WeakPolarHBondContact O-CA 3.17Å; P239-G584 PolarHBondContact O-N 3.04Å; G584-I588 WeakPolarHBondContact O-CB 3.39Å; G584-I588 VanDerWaalsContact O-CG1 3.24Å; G584-I588 WeakPolarHBondContact O-CG1 3.41Å; G584-I588 PolarHBondContact O-N 3.24Å; G584-I588 VanDerWaalsContact O-N 3.15Å
585T97.8Very high94Very high40 Ų4032.4 Ų32.425%0.24517%0.171CC..Hα-helixtrans-68.6-58.7176.8-59.70000110.6I404 R408 N583 W587 I588 E589I404-T585 HydrophobicContact CD1-CG2 4.29Å; I404-T585 HydrophobicContact CG2-CG2 4.07Å; R408-T585 PolarHBondContact NH1-OG1 3.29Å; N583-T585 PolarHBondContact O-N 2.98Å; N583-T585 WeakPolarHBondContact OD1-CA 3.32Å; N583-T585 WeakPolarHBondContact OD1-CB 3.26Å; N583-T585 PolarHBondContact OD1-N 2.73Å; T585-W587 PolarHBondContact O-N 3.27Å; T585-I588 PolarHBondContact O-N 3.02Å; T585-E589 WeakPolarHBondContact O-CB 3.46Å; T585-E589 WeakPolarHBondContact O-CG 3.41Å; T585-E589 PolarHBondContact O-N 3.18Å
586S96.4Very high91.7Very high41 Ų4144.7 Ų44.729%0.28723%0.225SC..Hα-helixtrans-58-33.5179.962.40000113N583 A590N583-S586 PolarHBondContact N-OG 2.8Å; N583-S586 PolarHBondContact O-N 3.35Å; N583-S586 PolarHBondContact O-OG 3.43Å; N583-S586 PolarHBondContact OD1-N 2.93Å; N583-S586 PolarHBondContact OD1-OG 3.21Å; S586-A590 WeakPolarHBondContact O-CB 3.37Å; S586-A590 PolarHBondContact O-N 3.12Å
587W97.2Very high91.4Very high5 Ų547 Ų472%0.01924%0.236CC..Hα-helixtrans-73.5-45179.4-175.235.2000112.4F160 R232 L236 P239 L240 L452 M582 N583 T585 A590 L591F160-W587 HydrophobicContact CD1-CZ2 4.49Å; F160-W587 AromaticContact CD1-NE1 3.28Å; F160-W587 VanDerWaalsContact CD1-NE1 3.28Å; F160-W587 HydrophobicContact CD2-CZ2 4.21Å; F160-W587 AromaticContact CD2-NE1 3.73Å; F160-W587 AromaticContact CE1-CZ2 3.97Å; F160-W587 HydrophobicContact CE1-CZ2 3.97Å; F160-W587 AromaticContact CE1-NE1 3.56Å; F160-W587 AromaticContact CE2-CZ2 3.66Å; F160-W587 HydrophobicContact CE2-CZ2 3.66Å; F160-W587 AromaticContact CE2-NE1 4Å; F160-W587 AromaticContact CG-NE1 3.38Å; F160-W587 AromaticContact CZ-CZ2 3.54Å; F160-W587 HydrophobicContact CZ-CZ2 3.54Å; F160-W587 AromaticContact CZ-NE1 3.93Å; R232-W587 HydrophobicContact CG-CZ2 4.31Å; L236-W587 HydrophobicContact CB-CH2 4.1Å; L236-W587 HydrophobicContact CD2-CH2 3.54Å; L236-W587 HydrophobicContact CD2-CZ2 3.67Å; L236-W587 HydrophobicContact CG-CH2 4.43Å; P239-W587 HydrophobicContact CB-CD2 4.49Å; P239-W587 HydrophobicContact CB-CE3 3.65Å; P239-W587 HydrophobicContact CB-CZ3 3.75Å; P239-W587 HydrophobicContact CG-CE3 4.19Å; P239-W587 HydrophobicContact CG-CH2 4.39Å; P239-W587 HydrophobicContact CG-CZ3 3.87Å; L240-W587 HydrophobicContact CD2-CE3 4.2Å; L240-W587 HydrophobicContact CD2-CZ3 4.01Å; L240-W587 HydrophobicContact CG-CE3 4.5Å; L240-W587 HydrophobicContact CG-CZ3 3.93Å; L452-W587 HydrophobicContact CD1-CH2 4.28Å; L452-W587 HydrophobicContact CD1-CZ2 4.16Å; L452-W587 HydrophobicContact CD2-CH2 3.6Å; L452-W587 HydrophobicContact CD2-CZ2 4.21Å; L452-W587 HydrophobicContact CD2-CZ3 4.01Å; L452-W587 HydrophobicContact CG-CH2 4.42Å; M582-W587 HydrophobicContact CE-CG 4.25Å; M582-W587 HydrophobicContact SD-CB 3.9Å; M582-W587 HydrophobicContact SD-CD2 4.22Å; M582-W587 HydrophobicContact SD-CG 3.86Å; N583-W587 WeakPolarHBondContact O-CB 3.3Å; N583-W587 PolarHBondContact O-N 3.07Å; T585-W587 PolarHBondContact O-N 3.27Å; W587-A590 PolarHBondContact O-N 3.11Å; W587-L591 WeakPolarHBondContact O-CG 3.48Å; W587-L591 PolarHBondContact O-N 3.26Å
588I97.7Very high91Very high1 Ų149.4 Ų49.41%0.00525%0.249CC..Hα-helixtrans-63.6-43.7174.1-67.4-62.4000110.2L240 I404 L407 R408 L447 L452 G584 T585 A590 L591 M592L240-I588 HydrophobicContact CD2-CD1 4.12Å; L240-I588 HydrophobicContact CD2-CG1 4.47Å; I404-I588 HydrophobicContact CG1-CG2 4.44Å; I404-I588 HydrophobicContact CG2-CB 4.19Å; I404-I588 HydrophobicContact CG2-CG2 4.14Å; L407-I588 HydrophobicContact CB-CG2 3.97Å; L407-I588 HydrophobicContact CD1-CG2 3.93Å; R408-I588 HydrophobicContact CG-CG1 3.75Å; L447-I588 HydrophobicContact CD2-CD1 3.85Å; L452-I588 HydrophobicContact CD1-CD1 4.43Å; G584-I588 WeakPolarHBondContact O-CB 3.39Å; G584-I588 VanDerWaalsContact O-CG1 3.24Å; G584-I588 WeakPolarHBondContact O-CG1 3.41Å; G584-I588 PolarHBondContact O-N 3.24Å; G584-I588 VanDerWaalsContact O-N 3.15Å; T585-I588 PolarHBondContact O-N 3.02Å; I588-A590 VanDerWaalsContact C-N 3.3Å; I588-A590 PolarHBondContact O-N 3.4Å; I588-L591 PolarHBondContact O-N 3.25Å; I588-M592 HydrophobicContact CG2-CG 4.39Å; I588-M592 HydrophobicContact CG2-SD 4.31Å; I588-M592 WeakPolarHBondContact O-CG 3.39Å; I588-M592 PolarHBondContact O-N 3.37Å
589E96.1Very high90.5Very high104 Ų10452.2 Ų52.249%0.48626%0.262SS..Hα-helixtrans-56.2-42.2175.2-75.1177.2167.600112.5I404 T585 L591 M592I404-E589 HydrophobicContact CD1-CG 3.45Å; I404-E589 VanDerWaalsContact CD1-CG 3.45Å; I404-E589 VanDerWaalsContact CD1-OE1 3.3Å; I404-E589 WeakPolarHBondContact CD1-OE1 3.45Å; I404-E589 HydrophobicContact CG1-CG 4.24Å; T585-E589 WeakPolarHBondContact O-CB 3.46Å; T585-E589 WeakPolarHBondContact O-CG 3.41Å; T585-E589 PolarHBondContact O-N 3.18Å; E589-L591 PolarHBondContact O-N 2.66Å; E589-M592 WeakPolarHBondContact O-CB 3.45Å; E589-M592 PolarHBondContact O-N 3.04Å
590A95Very high90.1Very high39 Ų3955.2 Ų55.232%0.32228%0.278SS..Hα-helixtrans-64.1-25.3177.100000113.2K161 S586 W587 I588K161-A590 WeakPolarHBondContact CD-O 3.45Å; S586-A590 WeakPolarHBondContact O-CB 3.37Å; S586-A590 PolarHBondContact O-N 3.12Å; W587-A590 PolarHBondContact O-N 3.11Å; I588-A590 VanDerWaalsContact C-N 3.3Å; I588-A590 PolarHBondContact O-N 3.4Å
591L95.8Very high89.6Confident1 Ų156.6 Ų56.61%0.00529%0.286CS..Hα-helixtrans-90.7-14.8177.9-63.6173.7000113.3F160 K161 L165 N446 L447 L452 W587 I588 E589F160-L591 HydrophobicContact CD1-CD2 3.89Å; F160-L591 HydrophobicContact CE1-CD1 4.34Å; F160-L591 HydrophobicContact CE1-CD2 4.05Å; K161-L591 HydrophobicContact CB-CD2 4.43Å; L165-L591 HydrophobicContact CD1-CD2 3.52Å; L165-L591 HydrophobicContact CG-CD2 4.26Å; N446-L591 WeakPolarHBondContact CB-O 3.35Å; N446-L591 PolarHBondContact ND2-O 3.44Å; L447-L591 HydrophobicContact CD2-CB 4.25Å; L447-L591 HydrophobicContact CD2-CD1 3.96Å; L452-L591 HydrophobicContact CD1-CD1 3.4Å; L452-L591 VanDerWaalsContact CD1-CD1 3.4Å; W587-L591 WeakPolarHBondContact O-CG 3.48Å; W587-L591 PolarHBondContact O-N 3.26Å; I588-L591 PolarHBondContact O-N 3.25Å; E589-L591 PolarHBondContact O-N 2.66Å
592M94.9Very high89Confident38 Ų3859.1 Ų59.119%0.18730%0.299CS..SBendtrans-70.6138.8176-70.4175.869.700110.5L403 I404 T443 I588 E589L403-M592 HydrophobicContact CD2-CE 3.95Å; I404-M592 HydrophobicContact CG1-SD 3.9Å; T443-M592 HydrophobicContact CG2-CB 4.29Å; T443-M592 HydrophobicContact CG2-CG 3.7Å; I588-M592 HydrophobicContact CG2-CG 4.39Å; I588-M592 HydrophobicContact CG2-SD 4.31Å; I588-M592 WeakPolarHBondContact O-CG 3.39Å; I588-M592 PolarHBondContact O-N 3.37Å; E589-M592 WeakPolarHBondContact O-CB 3.45Å; E589-M592 PolarHBondContact O-N 3.04Å
593E87.4Confident88.5Confident68 Ų6862.6 Ų62.632%0.31832%0.316SS..PPolyproline II helixtrans-84.9125.6168.9-158.459.4-149.700107.9K161 L442 T443K161-E593 IonicContact NZ-OE2 3.58Å; K161-E593 PolarHBondContact NZ-OE2 3.15Å; L442-E593 HydrophobicContact CB-CB 4Å; L442-E593 HydrophobicContact CB-CG 4.29Å; L442-E593 HydrophobicContact CD1-CG 4.14Å; T443-E593 PolarHBondContact OG1-N 3Å
594K74.6Confident87.7Confident181 Ų18166.6 Ų66.679%0.78734%0.336SS*.PPolyproline II helixtrans-69.7133.8175.2-67.6-176.7-179.6-179.90107.8F596K594-F596 PolarHBondContact O-N 2.69Å
595P60.3Low86.9Confident88 Ų8872.2 Ų72.257%0.57136%0.364SS*.PPolyproline II helixtrans-55.6139.1171.721.9-29.2000109.2E439E439-P595 HydrophobicContact CG-CB 4.49Å
596F49.6Very low85.9Confident260 Ų26075.1 Ų75.1100%1.1438%0.375SS*.  trans-55.10179.8-73.3-80.1000113.1K594K594-F596 PolarHBondContact O-N 2.69Å

Retrieved 596 of 596 residues in 5079.8 ms (Link to these results)