A0A096NTD4_PAPAN Loading...

BAR/IMD domain-containing adapter protein 2

Adapter protein that links membrane-bound small G-proteins to cytoplasmic effector proteins. Necessary for CDC42-mediated reorganization of the actin cytoskeleton and for RAC1-mediated membrane ruffling. Involved in the regulation of the actin cytoskeleton by WASF family members and the Arp2/3 complex. Plays a role in neurite growth. Acts syngeristically with ENAH to promote filipodia formation. Plays a role in the reorganization of the actin cytoskeleton in response to bacterial infection. Participates in actin bundling when associated with EPS8, promoting filopodial protrusions.

AlphaFold DB (A0A2K6DLC2), UniProt , Accession A0A096NTD4, Species PAPAN (Papio anubis, Olive baboon), Gene BAIAP2, Length 552 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
1M55.9Low85.1Confident208 Ų20895.2 Ų95.2100%1.02545%0.454SS*.  0-55.30-65.8-170.2-170.500112.1T4 R5M1-T4 VanDerWaalsContact C-OG1 3.25Å; M1-T4 VanDerWaalsContact CA-OG1 3.26Å; M1-T4 WeakPolarHBondContact CA-OG1 3.45Å; M1-T4 PolarHBondContact O-OG1 3.3Å; M1-R5 PolarHBondContact O-N 3.32Å
2S66.9Low86.2Confident59 Ų5992.2 Ų92.241%0.41344%0.442SS..Hα-helixtrans-62.4-56.8179.4-151.40000113.2T4 R5 S6 E176S2-T4 VanDerWaalsContact C-N 3.3Å; S2-T4 PolarHBondContact O-N 3.07Å; S2-R5 WeakPolarHBondContact O-CA 3.31Å; S2-R5 WeakPolarHBondContact O-CB 3.44Å; S2-R5 PolarHBondContact O-N 3.11Å; S2-S6 PolarHBondContact O-N 3.42Å; S2-E176 WeakPolarHBondContact CB-OE1 3.47Å; S2-E176 PolarHBondContact OG-OE1 2.88Å; S2-E176 PolarHBondContact OG-OE2 2.76Å
3L71.5Confident87.1Confident76 Ų7685.1 Ų85.140%0.39841%0.408SS..Hα-helixtrans-52.6-42.7178.3-67.6166.7000113.6R5 S6 E7 L134 Q172L3-R5 VanDerWaalsContact C-N 3.3Å; L3-R5 PolarHBondContact O-N 2.93Å; L3-S6 WeakPolarHBondContact O-CB 3.4Å; L3-S6 PolarHBondContact O-N 3.11Å; L3-E7 PolarHBondContact O-N 3.2Å; L3-L134 HydrophobicContact CD2-CD2 4.25Å; L3-Q172 HydrophobicContact CD2-CG 4.29Å
4T80.6Confident87.9Confident98 Ų9881.4 Ų81.460%0.60139%0.39SS*.Hα-helixtrans-62.6-33176.536.30000113.5M1 S2 E8M1-T4 VanDerWaalsContact C-OG1 3.25Å; M1-T4 VanDerWaalsContact CA-OG1 3.26Å; M1-T4 WeakPolarHBondContact CA-OG1 3.45Å; M1-T4 PolarHBondContact O-OG1 3.3Å; S2-T4 VanDerWaalsContact C-N 3.3Å; S2-T4 PolarHBondContact O-N 3.07Å; T4-E8 PolarHBondContact O-N 3.24Å
5R88.4Confident88.6Confident185 Ų18580.2 Ų80.270%0.69839%0.386SS*.Hα-helixtrans-79.1-31.3175.3-171.5178.2-179.7179.70.1111.7M1 S2 L3 M9M1-R5 PolarHBondContact O-N 3.32Å; S2-R5 WeakPolarHBondContact O-CA 3.31Å; S2-R5 WeakPolarHBondContact O-CB 3.44Å; S2-R5 PolarHBondContact O-N 3.11Å; L3-R5 VanDerWaalsContact C-N 3.3Å; L3-R5 PolarHBondContact O-N 2.93Å; R5-M9 WeakPolarHBondContact O-CB 3.41Å; R5-M9 PolarHBondContact O-N 2.98Å
6S91.8Very high89.3Confident4 Ų476.1 Ų76.13%0.02837%0.368CS..Hα-helixtrans-63.5-47.3171.5-169.40000111.2S2 L3 E8 M9 H10 V179S2-S6 PolarHBondContact O-N 3.42Å; L3-S6 WeakPolarHBondContact O-CB 3.4Å; L3-S6 PolarHBondContact O-N 3.11Å; S6-E8 VanDerWaalsContact C-N 3.35Å; S6-E8 PolarHBondContact O-N 3.13Å; S6-M9 PolarHBondContact O-N 3.06Å; S6-H10 WeakPolarHBondContact O-CB 3.13Å; S6-H10 PolarHBondContact O-N 3.25Å; S6-V179 WeakPolarHBondContact O-CG1 3.25Å
7E92.4Very high89.8Confident103 Ų10372.3 Ų72.348%0.48135%0.349SS..Hα-helixtrans-62-39.3176.1-73.8-55.8129.300113.1L3 H10 R11L3-E7 PolarHBondContact O-N 3.2Å; E7-H10 PolarHBondContact O-N 3.32Å; E7-R11 PolarHBondContact O-N 3.36Å
8E95.7Very high90.3Very high106 Ų10671.9 Ų71.950%0.49535%0.345SS..Hα-helixtrans-60.6-46.6173.4-179.5173.8-152.600111.9T4 S6 R11 L12T4-E8 PolarHBondContact O-N 3.24Å; S6-E8 VanDerWaalsContact C-N 3.35Å; S6-E8 PolarHBondContact O-N 3.13Å; E8-R11 PolarHBondContact O-N 3.18Å; E8-L12 HydrophobicContact CG-CD1 4.31Å; E8-L12 WeakPolarHBondContact O-CG 3.31Å; E8-L12 PolarHBondContact O-N 3.02Å
9M96.9Very high90.7Very high40 Ų4070.7 Ų70.720%0.19734%0.343CS..Hα-helixtrans-67.6-33.8178.7-174.4160.350.600112.5R5 S6 L12 T13 V179 Y183R5-M9 WeakPolarHBondContact O-CB 3.41Å; R5-M9 PolarHBondContact O-N 2.98Å; S6-M9 PolarHBondContact O-N 3.06Å; M9-L12 PolarHBondContact O-N 3.15Å; M9-T13 PolarHBondContact O-N 2.91Å; M9-T13 PolarHBondContact O-OG1 2.94Å; M9-V179 HydrophobicContact CB-CG1 3.91Å; M9-V179 HydrophobicContact CE-CG1 4.03Å; M9-V179 HydrophobicContact CG-CG1 3.91Å; M9-Y183 HydrophobicContact CG-CD1 3.77Å; M9-Y183 HydrophobicContact CG-CG 3.75Å; M9-Y183 HydrophobicContact SD-CD1 3.94Å; M9-Y183 HydrophobicContact SD-CG 4.37Å
10H97.7Very high91.1Very high25 Ų2567.3 Ų67.312%0.11633%0.326CS..Hα-helixtrans-61.2-50.2170.717251.3000111.3S6 E7 L12 T13 E14 Y123 V179S6-H10 WeakPolarHBondContact O-CB 3.13Å; S6-H10 PolarHBondContact O-N 3.25Å; E7-H10 PolarHBondContact O-N 3.32Å; H10-L12 VanDerWaalsContact C-N 3.34Å; H10-L12 PolarHBondContact O-N 3.2Å; H10-T13 VanDerWaalsContact O-CB 3.31Å; H10-T13 WeakPolarHBondContact O-CB 3.18Å; H10-T13 PolarHBondContact O-N 2.83Å; H10-T13 VanDerWaalsContact O-N 3.1Å; H10-E14 PolarHBondContact O-N 3.12Å; H10-Y123 WeakPolarHBondContact CA-OH 3.27Å; H10-Y123 AromaticContact CE1-CE1 3.76Å; H10-Y123 AromaticContact ND1-CE1 3.35Å; H10-Y123 WeakPolarHBondContact ND1-CE1 3.47Å; H10-Y123 AromaticContact ND1-CZ 3.52Å; H10-Y123 PolarHBondContact ND1-OH 2.79Å; H10-V179 HydrophobicContact CB-CG1 4.11Å
11R98.1Very high91.4Very high143 Ų14366.3 Ų66.354%0.5432%0.322SS..Hα-helixtrans-59.6-41.9175.7-172.2-173.167.7153.6-0.3112.3E7 E8 T13 E14 N15E7-R11 PolarHBondContact O-N 3.36Å; E8-R11 PolarHBondContact O-N 3.18Å; R11-T13 VanDerWaalsContact C-N 3.31Å; R11-T13 PolarHBondContact O-N 2.85Å; R11-E14 PolarHBondContact O-N 2.9Å; R11-N15 WeakPolarHBondContact O-CB 3.27Å; R11-N15 PolarHBondContact O-N 3.49Å; R11-N15 PolarHBondContact O-OD1 3.3Å
12L98.3Very high93.4Very high59 Ų5962.7 Ų62.731%0.30930%0.302SS..Hα-helixtrans-62.5-38.3175.3-71.3172.3000111.8E8 M9 H10 N15 V16 Y183E8-L12 HydrophobicContact CG-CD1 4.31Å; E8-L12 WeakPolarHBondContact O-CG 3.31Å; E8-L12 PolarHBondContact O-N 3.02Å; M9-L12 PolarHBondContact O-N 3.15Å; H10-L12 VanDerWaalsContact C-N 3.34Å; H10-L12 PolarHBondContact O-N 3.2Å; L12-N15 PolarHBondContact O-N 3.08Å; L12-V16 WeakPolarHBondContact O-CG2 3.4Å; L12-V16 PolarHBondContact O-N 2.92Å; L12-Y183 HydrophobicContact CB-CD2 4.09Å; L12-Y183 HydrophobicContact CB-CE2 3.63Å
13T98.7Very high94.9Very high0 Ų065.4 Ų65.40%031%0.308CS..Hα-helixtrans-61.4-49175.7-53.60000111.3M9 H10 R11 N15 V16 Y17 Y123 Y183 A186M9-T13 PolarHBondContact O-N 2.91Å; M9-T13 PolarHBondContact O-OG1 2.94Å; H10-T13 VanDerWaalsContact O-CB 3.31Å; H10-T13 WeakPolarHBondContact O-CB 3.18Å; H10-T13 PolarHBondContact O-N 2.83Å; H10-T13 VanDerWaalsContact O-N 3.1Å; R11-T13 VanDerWaalsContact C-N 3.31Å; R11-T13 PolarHBondContact O-N 2.85Å; T13-N15 VanDerWaalsContact C-N 3.32Å; T13-N15 PolarHBondContact O-N 3.46Å; T13-V16 PolarHBondContact O-N 3.13Å; T13-Y17 HydrophobicContact CG2-CD2 4.35Å; T13-Y17 HydrophobicContact CG2-CE2 4.03Å; T13-Y17 VanDerWaalsContact O-CD2 3.29Å; T13-Y17 WeakPolarHBondContact O-CD2 3.44Å; T13-Y17 PolarHBondContact O-N 3.01Å; T13-Y123 HydrophobicContact CG2-CD1 3.97Å; T13-Y123 HydrophobicContact CG2-CD2 4.44Å; T13-Y123 HydrophobicContact CG2-CE1 3.51Å; T13-Y123 HydrophobicContact CG2-CE2 4.03Å; T13-Y123 HydrophobicContact CG2-CG 4.41Å; T13-Y183 VanDerWaalsContact OG1-CA 3.23Å; T13-Y183 WeakPolarHBondContact OG1-CA 3.47Å; T13-Y183 VanDerWaalsContact OG1-CB 3.27Å; T13-Y183 WeakPolarHBondContact OG1-CB 3.46Å; T13-Y183 PolarHBondContact OG1-N 3.08Å; T13-A186 HydrophobicContact CG2-CB 3.87Å
14E98.4Very high96.2Very high34 Ų3462.9 Ų62.916%0.15929%0.294CS..Hα-helixtrans-60.3-41.7175.5-64.1-155.2144.400112.7H10 R11 V16 Y17 K18 L120 Q124H10-E14 PolarHBondContact O-N 3.12Å; R11-E14 PolarHBondContact O-N 2.9Å; E14-V16 VanDerWaalsContact C-N 3.33Å; E14-V16 PolarHBondContact O-N 3.01Å; E14-Y17 PolarHBondContact O-N 2.92Å; E14-K18 WeakPolarHBondContact O-CG 3.39Å; E14-K18 PolarHBondContact O-N 3.36Å; E14-K18 IonicContact OE2-NZ 3.4Å; E14-K18 PolarHBondContact OE2-NZ 3.27Å; E14-L120 HydrophobicContact CG-CD1 4.36Å; E14-Q124 WeakPolarHBondContact OE1-CG 3.28Å; E14-Q124 PolarHBondContact OE1-NE2 2.87Å
15N98.5Very high97.1Very high63 Ų6358.7 Ų58.734%0.33727%0.268SS..Hα-helixtrans-63-38.8-178.7-73.7-5.9000111.7R11 L12 T13 K18 T19R11-N15 WeakPolarHBondContact O-CB 3.27Å; R11-N15 PolarHBondContact O-N 3.49Å; R11-N15 PolarHBondContact O-OD1 3.3Å; L12-N15 PolarHBondContact O-N 3.08Å; T13-N15 VanDerWaalsContact C-N 3.32Å; T13-N15 PolarHBondContact O-N 3.46Å; N15-K18 PolarHBondContact O-N 2.9Å; N15-T19 WeakPolarHBondContact O-CB 3.17Å; N15-T19 PolarHBondContact O-N 3.29Å; N15-T19 PolarHBondContact O-OG1 3.45Å; N15-T19 VanDerWaalsContact O-OG1 3.14Å
16V98.7Very high97.5Very high14 Ų1453 Ų539%0.08526%0.255CS..Hα-helixtrans-61-47175.11730000110.9L12 T13 E14 K18 T19 I20 Y183 A186 L187 E190L12-V16 WeakPolarHBondContact O-CG2 3.4Å; L12-V16 PolarHBondContact O-N 2.92Å; T13-V16 PolarHBondContact O-N 3.13Å; E14-V16 VanDerWaalsContact C-N 3.33Å; E14-V16 PolarHBondContact O-N 3.01Å; V16-K18 VanDerWaalsContact C-N 3.35Å; V16-K18 PolarHBondContact O-N 2.85Å; V16-T19 PolarHBondContact O-N 3.47Å; V16-I20 HydrophobicContact CG1-CD1 4.01Å; V16-I20 VanDerWaalsContact O-CG1 3.29Å; V16-I20 WeakPolarHBondContact O-CG1 3.36Å; V16-I20 PolarHBondContact O-N 3.21Å; V16-Y183 HydrophobicContact CG2-CE2 4.44Å; V16-A186 HydrophobicContact CB-CB 4.04Å; V16-A186 HydrophobicContact CG1-CB 3.92Å; V16-A186 WeakPolarHBondContact CG1-O 3.45Å; V16-L187 HydrophobicContact CG2-CD2 4.04Å; V16-E190 HydrophobicContact CG1-CB 3.93Å
17Y98.6Very high97.9Very high12 Ų1256.6 Ų56.65%0.04728%0.28CS..Hα-helixtrans-60.1-42.9175.8-76.4-72000112.4T13 E14 I20 M21 L116 A119 L120 A186T13-Y17 HydrophobicContact CG2-CD2 4.35Å; T13-Y17 HydrophobicContact CG2-CE2 4.03Å; T13-Y17 VanDerWaalsContact O-CD2 3.29Å; T13-Y17 WeakPolarHBondContact O-CD2 3.44Å; T13-Y17 PolarHBondContact O-N 3.01Å; E14-Y17 PolarHBondContact O-N 2.92Å; Y17-I20 PolarHBondContact O-N 3.22Å; Y17-M21 WeakPolarHBondContact O-CE 3.29Å; Y17-M21 WeakPolarHBondContact O-CG 3.47Å; Y17-M21 PolarHBondContact O-N 3.28Å; Y17-M21 VanDerWaalsContact O-N 3.1Å; Y17-L116 HydrophobicContact CD1-CD2 3.81Å; Y17-L116 HydrophobicContact CE1-CD2 4.07Å; Y17-A119 HydrophobicContact CE1-CB 4.06Å; Y17-L120 HydrophobicContact CD1-CB 4.33Å; Y17-L120 HydrophobicContact CD2-CB 4.37Å; Y17-L120 HydrophobicContact CD2-CD1 3.84Å; Y17-L120 HydrophobicContact CG-CB 4.06Å; Y17-L120 HydrophobicContact CG-CD1 4.11Å; Y17-A186 HydrophobicContact CD2-CB 4.14Å; Y17-A186 HydrophobicContact CE2-CB 3.7Å
18K98.2Very high98.2Very high66 Ų6652.2 Ų52.229%0.28726%0.26SS..Hα-helixtrans-62.1-49.6176-69.2167.3-168.2160.10111.3E14 N15 V16 I20 M21 E22E14-K18 WeakPolarHBondContact O-CG 3.39Å; E14-K18 PolarHBondContact O-N 3.36Å; E14-K18 IonicContact OE2-NZ 3.4Å; E14-K18 PolarHBondContact OE2-NZ 3.27Å; N15-K18 PolarHBondContact O-N 2.9Å; V16-K18 VanDerWaalsContact C-N 3.35Å; V16-K18 PolarHBondContact O-N 2.85Å; K18-I20 VanDerWaalsContact C-N 3.29Å; K18-I20 PolarHBondContact O-N 3.28Å; K18-M21 PolarHBondContact O-N 2.9Å; K18-M21 VanDerWaalsContact O-N 3.11Å; K18-E22 VanDerWaalsContact O-CB 3.27Å; K18-E22 WeakPolarHBondContact O-CB 3.16Å; K18-E22 WeakPolarHBondContact O-CG 3.36Å; K18-E22 PolarHBondContact O-N 3.17Å
19T98.6Very high98.3Very high48 Ų4852.2 Ų52.229%0.29426%0.256SS..Hα-helixtrans-55.8-41176.3-67.80000112.4N15 V16 Q23 F24N15-T19 WeakPolarHBondContact O-CB 3.17Å; N15-T19 PolarHBondContact O-N 3.29Å; N15-T19 PolarHBondContact O-OG1 3.45Å; N15-T19 VanDerWaalsContact O-OG1 3.14Å; V16-T19 PolarHBondContact O-N 3.47Å; T19-Q23 WeakPolarHBondContact O-CA 3.37Å; T19-Q23 VanDerWaalsContact O-CB 3.29Å; T19-Q23 WeakPolarHBondContact O-CB 3.5Å; T19-Q23 PolarHBondContact O-N 3.39Å; T19-F24 PolarHBondContact O-N 3.07Å
20I98.5Very high98.4Very high3 Ų355 Ų552%0.01527%0.271CS..Iπ-helixtrans-64.8-47176.6-61.5163.5000111V16 Y17 K18 F24 N25 L116 E190 R193V16-I20 HydrophobicContact CG1-CD1 4.01Å; V16-I20 VanDerWaalsContact O-CG1 3.29Å; V16-I20 WeakPolarHBondContact O-CG1 3.36Å; V16-I20 PolarHBondContact O-N 3.21Å; Y17-I20 PolarHBondContact O-N 3.22Å; K18-I20 VanDerWaalsContact C-N 3.29Å; K18-I20 PolarHBondContact O-N 3.28Å; I20-F24 HydrophobicContact CG2-CB 4.46Å; I20-F24 HydrophobicContact CG2-CD1 4.31Å; I20-F24 PolarHBondContact O-N 2.84Å; I20-N25 WeakPolarHBondContact O-CB 3.25Å; I20-N25 PolarHBondContact O-N 3.18Å; I20-L116 HydrophobicContact CB-CD1 4.24Å; I20-L116 HydrophobicContact CD1-CD2 4.36Å; I20-L116 HydrophobicContact CG2-CD1 3.42Å; I20-L116 VanDerWaalsContact CG2-CD1 3.42Å; I20-L116 HydrophobicContact CG2-CD2 4.28Å; I20-E190 HydrophobicContact CD1-CB 4.01Å; I20-E190 HydrophobicContact CG1-CB 4.36Å; I20-R193 VanDerWaalsContact CG2-CD 3.45Å
21M98.1Very high98.4Very high47 Ų4757 Ų5723%0.23228%0.28CS..Iπ-helixtrans-73.4-38-176-67.6-174.7-63.900113.6Y17 K18 P26 L116 L120Y17-M21 WeakPolarHBondContact O-CE 3.29Å; Y17-M21 WeakPolarHBondContact O-CG 3.47Å; Y17-M21 PolarHBondContact O-N 3.28Å; Y17-M21 VanDerWaalsContact O-N 3.1Å; K18-M21 PolarHBondContact O-N 2.9Å; K18-M21 VanDerWaalsContact O-N 3.11Å; M21-P26 VanDerWaalsContact O-CD 3.27Å; M21-P26 WeakPolarHBondContact O-CD 3.44Å; M21-L116 HydrophobicContact CG-CB 3.76Å; M21-L116 HydrophobicContact CG-CD1 3.75Å; M21-L116 HydrophobicContact CG-CG 4.38Å; M21-L116 HydrophobicContact SD-CB 3.71Å; M21-L120 HydrophobicContact CE-CD2 3.78Å
22E97.9Very high98.5Very high132 Ų13250.4 Ų50.462%0.61726%0.255SS*.Iπ-helixtrans-97.2-22-170.5-62.8171-167.900113.1K18K18-E22 VanDerWaalsContact O-CB 3.27Å; K18-E22 WeakPolarHBondContact O-CB 3.16Å; K18-E22 WeakPolarHBondContact O-CG 3.36Å; K18-E22 PolarHBondContact O-N 3.17Å
23Q98.1Very high98.5Very high115 Ų11549.6 Ų49.654%0.53726%0.257SS..Iπ-helixtrans-119.3-61.7-179.7-51.2-178.423.800111.5T19 N25 P26 S27T19-Q23 WeakPolarHBondContact O-CA 3.37Å; T19-Q23 VanDerWaalsContact O-CB 3.29Å; T19-Q23 WeakPolarHBondContact O-CB 3.5Å; T19-Q23 PolarHBondContact O-N 3.39Å; Q23-N25 PolarHBondContact O-N 2.89Å; Q23-P26 WeakPolarHBondContact O-CD 3.45Å; Q23-S27 WeakPolarHBondContact O-CB 3.39Å; Q23-S27 PolarHBondContact O-N 2.89Å; Q23-S27 PolarHBondContact O-OG 3.43Å; Q23-S27 VanDerWaalsContact O-OG 3.08Å
24F98.7Very high98.5Very high24 Ų2454.2 Ų54.211%0.10528%0.279CS..Iπ-helixtrans-60.3-50.1-173.7177.5-91.6000112.5T19 I20 S27 L28 R193 F194T19-F24 PolarHBondContact O-N 3.07Å; I20-F24 HydrophobicContact CG2-CB 4.46Å; I20-F24 HydrophobicContact CG2-CD1 4.31Å; I20-F24 PolarHBondContact O-N 2.84Å; F24-S27 PolarHBondContact O-N 3.44Å; F24-L28 HydrophobicContact CE1-CB 4.37Å; F24-L28 HydrophobicContact CE1-CD2 3.73Å; F24-L28 HydrophobicContact CZ-CD2 4.04Å; F24-L28 VanDerWaalsContact O-CB 3.27Å; F24-L28 WeakPolarHBondContact O-CB 3.38Å; F24-L28 PolarHBondContact O-N 3.25Å; F24-R193 HydrophobicContact CD1-CB 4.32Å; F24-R193 HydrophobicContact CE1-CB 3.66Å; F24-R193 HydrophobicContact CE1-CG 4.18Å; F24-R193 HydrophobicContact CE2-CB 4.32Å; F24-R193 HydrophobicContact CZ-CB 3.67Å; F24-F194 HydrophobicContact CD2-CD1 4.36Å; F24-F194 AromaticContact CD2-CE1 3.78Å; F24-F194 HydrophobicContact CD2-CE1 3.78Å; F24-F194 HydrophobicContact CD2-CE2 4.11Å; F24-F194 AromaticContact CD2-CZ 3.63Å; F24-F194 HydrophobicContact CD2-CZ 3.63Å; F24-F194 AromaticContact CE2-CD1 3.91Å; F24-F194 HydrophobicContact CE2-CD1 3.91Å; F24-F194 AromaticContact CE2-CE1 3.75Å; F24-F194 HydrophobicContact CE2-CE1 3.75Å; F24-F194 HydrophobicContact CE2-CE2 4.43Å; F24-F194 HydrophobicContact CE2-CG 4.33Å; F24-F194 HydrophobicContact CE2-CZ 4.03Å
25N98.3Very high98.5Very high9 Ų952.8 Ų52.85%0.04827%0.274CS..Hα-helixtrans-66-43.5-177.3-78.9-19.5000113.2I20 Q23 L28 R29 V109 D112I20-N25 WeakPolarHBondContact O-CB 3.25Å; I20-N25 PolarHBondContact O-N 3.18Å; Q23-N25 PolarHBondContact O-N 2.89Å; N25-L28 PolarHBondContact O-N 2.99Å; N25-R29 WeakPolarHBondContact O-CG 3.23Å; N25-R29 PolarHBondContact O-N 2.83Å; N25-V109 HydrophobicContact CB-CG2 3.92Å; N25-D112 PolarHBondContact ND2-OD2 2.87Å; N25-D112 PolarHBondContact OD1-OD2 2.88Å
26P98.4Very high98.5Very high66 Ų6653.6 Ų53.643%0.42928%0.275SS..Hα-helixtrans-60.3-45169.8-3038.8000113.8M21 Q23 L28 R29 N30M21-P26 VanDerWaalsContact O-CD 3.27Å; M21-P26 WeakPolarHBondContact O-CD 3.44Å; Q23-P26 WeakPolarHBondContact O-CD 3.45Å; P26-L28 VanDerWaalsContact C-N 3.3Å; P26-L28 PolarHBondContact O-N 3.38Å; P26-R29 PolarHBondContact O-N 3.34Å; P26-N30 PolarHBondContact O-N 3.25Å
27S98.7Very high98.5Very high79 Ų7957.5 Ų57.555%0.55230%0.295SS*.Hα-helixtrans-61.8-38.2175.2-65.60000112.2Q23 F24 N30 F31Q23-S27 WeakPolarHBondContact O-CB 3.39Å; Q23-S27 PolarHBondContact O-N 2.89Å; Q23-S27 PolarHBondContact O-OG 3.43Å; Q23-S27 VanDerWaalsContact O-OG 3.08Å; F24-S27 PolarHBondContact O-N 3.44Å; S27-N30 PolarHBondContact O-N 3.38Å; S27-F31 WeakPolarHBondContact O-CB 3.29Å; S27-F31 PolarHBondContact O-N 2.86Å
28L98.6Very high98.5Very high11 Ų1163.6 Ų63.66%0.05832%0.319CS..Hα-helixtrans-67.4-40176.7-175.961.4000111.9F24 N25 P26 N30 F31 I32 L105 V109 L197F24-L28 HydrophobicContact CE1-CB 4.37Å; F24-L28 HydrophobicContact CE1-CD2 3.73Å; F24-L28 HydrophobicContact CZ-CD2 4.04Å; F24-L28 VanDerWaalsContact O-CB 3.27Å; F24-L28 WeakPolarHBondContact O-CB 3.38Å; F24-L28 PolarHBondContact O-N 3.25Å; N25-L28 PolarHBondContact O-N 2.99Å; P26-L28 VanDerWaalsContact C-N 3.3Å; P26-L28 PolarHBondContact O-N 3.38Å; L28-N30 VanDerWaalsContact C-N 3.35Å; L28-F31 HydrophobicContact CD1-CD1 4.06Å; L28-F31 WeakPolarHBondContact O-CB 3.26Å; L28-F31 PolarHBondContact O-N 3.37Å; L28-I32 HydrophobicContact CG-CD1 4.16Å; L28-I32 WeakPolarHBondContact O-CD1 3.37Å; L28-I32 VanDerWaalsContact O-CG1 3.26Å; L28-I32 WeakPolarHBondContact O-CG1 3.5Å; L28-I32 PolarHBondContact O-N 3.14Å; L28-L105 HydrophobicContact CD1-CD1 4.21Å; L28-L105 HydrophobicContact CD1-CD2 4.19Å; L28-L105 HydrophobicContact CD2-CD2 4.49Å; L28-V109 HydrophobicContact CD2-CB 4.07Å; L28-V109 HydrophobicContact CD2-CG2 4.15Å; L28-L197 HydrophobicContact CD1-CD1 4.31Å
29R98.6Very high98.5Very high107 Ų10762.5 Ų62.540%0.40432%0.315SS..Hα-helixtrans-62.4-40.7173-72.8179.4-173.6-95.7-1.1111.9N25 P26 I32 A33 V109 E110N25-R29 WeakPolarHBondContact O-CG 3.23Å; N25-R29 PolarHBondContact O-N 2.83Å; P26-R29 PolarHBondContact O-N 3.34Å; R29-I32 PolarHBondContact O-N 3.37Å; R29-A33 PolarHBondContact O-N 3.29Å; R29-V109 HydrophobicContact CG-CG1 4.01Å; R29-V109 HydrophobicContact CG-CG2 3.95Å; R29-V109 PolarHBondContact NH2-O 3.02Å; R29-E110 IonicContact CZ-OE2 3.42Å; R29-E110 VanDerWaalsContact CZ-OE2 3.25Å; R29-E110 IonicContact NH1-OE2 2.6Å; R29-E110 PolarHBondContact NH1-OE2 3.38Å; R29-E110 IonicContact NH2-OE2 2.76Å; R29-E110 PolarHBondContact NH2-OE2 3.16Å
30N98.6Very high98.5Very high98 Ų9868 Ų6852%0.52434%0.335SS..Hα-helixtrans-64.6-42.8172.8-17761.7000112.1P26 S27 L28 I32 A33 M34P26-N30 PolarHBondContact O-N 3.25Å; S27-N30 PolarHBondContact O-N 3.38Å; L28-N30 VanDerWaalsContact C-N 3.35Å; N30-I32 PolarHBondContact O-N 3.13Å; N30-A33 PolarHBondContact O-N 2.92Å; N30-M34 WeakPolarHBondContact O-CG 3.46Å; N30-M34 PolarHBondContact O-N 3.34Å
31F98.8Very high98.5Very high67 Ų6770.7 Ų70.729%0.29436%0.357SS..Hα-helixtrans-58.9-44.1175.3170.4-95.3000112.1S27 L28 A33 M34 G35 L101 L105 L197 Q201S27-F31 WeakPolarHBondContact O-CB 3.29Å; S27-F31 PolarHBondContact O-N 2.86Å; L28-F31 HydrophobicContact CD1-CD1 4.06Å; L28-F31 WeakPolarHBondContact O-CB 3.26Å; L28-F31 PolarHBondContact O-N 3.37Å; F31-A33 PolarHBondContact O-N 3.36Å; F31-M34 PolarHBondContact O-N 2.84Å; F31-G35 PolarHBondContact O-N 3.37Å; F31-L101 HydrophobicContact CE1-CD2 4.05Å; F31-L101 HydrophobicContact CZ-CD2 4.39Å; F31-L105 HydrophobicContact CD1-CD1 4.19Å; F31-L105 HydrophobicContact CE1-CD1 3.76Å; F31-L197 HydrophobicContact CD1-CD1 4.35Å; F31-L197 HydrophobicContact CE1-CD1 3.98Å; F31-L197 HydrophobicContact CZ-CD1 4.48Å; F31-Q201 VanDerWaalsContact CZ-NE2 3.33Å
32I98.8Very high98.4Very high4 Ų469.7 Ų69.72%0.02135%0.353CS..Hα-helixtrans-59.5-45173.8-70.3160.5000111.1L28 R29 N30 M34 G35 K36 L105 E106 V109L28-I32 HydrophobicContact CG-CD1 4.16Å; L28-I32 WeakPolarHBondContact O-CD1 3.37Å; L28-I32 VanDerWaalsContact O-CG1 3.26Å; L28-I32 WeakPolarHBondContact O-CG1 3.5Å; L28-I32 PolarHBondContact O-N 3.14Å; R29-I32 PolarHBondContact O-N 3.37Å; N30-I32 PolarHBondContact O-N 3.13Å; I32-M34 PolarHBondContact O-N 3.05Å; I32-G35 WeakPolarHBondContact O-CA 3.24Å; I32-G35 PolarHBondContact O-N 2.93Å; I32-G35 VanDerWaalsContact O-N 3.14Å; I32-K36 PolarHBondContact O-N 3.02Å; I32-L105 HydrophobicContact CD1-CB 3.88Å; I32-L105 HydrophobicContact CG1-CB 3.99Å; I32-E106 HydrophobicContact CD1-CG 3.93Å; I32-E106 HydrophobicContact CG1-CG 4.43Å; I32-E106 HydrophobicContact CG2-CG 3.47Å; I32-E106 VanDerWaalsContact CG2-CG 3.47Å; I32-V109 HydrophobicContact CD1-CG1 3.98Å
33A98.8Very high98.3Very high42 Ų4265.8 Ų65.835%0.34734%0.343SS..Hα-helixtrans-62.2-41.3178.200000112.2R29 N30 F31 G35 K36 N37R29-A33 PolarHBondContact O-N 3.29Å; N30-A33 PolarHBondContact O-N 2.92Å; F31-A33 PolarHBondContact O-N 3.36Å; A33-G35 VanDerWaalsContact C-N 3.33Å; A33-K36 PolarHBondContact O-N 3.08Å; A33-N37 PolarHBondContact O-N 3.49Å; A33-N37 VanDerWaalsContact O-N 3.08Å
34M98.8Very high98.3Very high97 Ų9762.3 Ų62.348%0.47834%0.338SS..Hα-helixtrans-65.5-37.2172.7-66.2-54.7105.600111.9N30 F31 I32 N37 Y38N30-M34 WeakPolarHBondContact O-CG 3.46Å; N30-M34 PolarHBondContact O-N 3.34Å; F31-M34 PolarHBondContact O-N 2.84Å; I32-M34 PolarHBondContact O-N 3.05Å; M34-N37 WeakPolarHBondContact O-CB 3.5Å; M34-N37 PolarHBondContact O-N 2.93Å; M34-Y38 PolarHBondContact O-N 3.37Å
35G98.7Very high98.3Very high5 Ų565 Ų655%0.05236%0.357CS..Hα-helixtrans-59.8-45172.900000112.9F31 I32 A33 N37 Y38 E39 F97F31-G35 PolarHBondContact O-N 3.37Å; I32-G35 WeakPolarHBondContact O-CA 3.24Å; I32-G35 PolarHBondContact O-N 2.93Å; I32-G35 VanDerWaalsContact O-N 3.14Å; A33-G35 VanDerWaalsContact C-N 3.33Å; G35-N37 VanDerWaalsContact C-N 3.34Å; G35-N37 PolarHBondContact O-N 3.12Å; G35-Y38 WeakPolarHBondContact O-CB 3.38Å; G35-Y38 PolarHBondContact O-N 2.93Å; G35-Y38 VanDerWaalsContact O-N 3.17Å; G35-E39 PolarHBondContact O-N 3.24Å; G35-F97 WeakPolarHBondContact O-CE1 3.43Å
36K98.6Very high98.1Very high80 Ų8065.7 Ų65.735%0.34836%0.361SS..Hα-helixtrans-63.4-36.9174.2-72.2-178.2171.8-178.30113I32 A33 K40 L102 E106I32-K36 PolarHBondContact O-N 3.02Å; A33-K36 PolarHBondContact O-N 3.08Å; K36-K40 WeakPolarHBondContact O-CB 3.32Å; K36-K40 PolarHBondContact O-N 3.46Å; K36-L102 HydrophobicContact CG-CD1 4.15Å; K36-E106 WeakPolarHBondContact CE-OE1 3.31Å; K36-E106 VanDerWaalsContact CE-OE2 3.29Å; K36-E106 WeakPolarHBondContact CE-OE2 3.4Å; K36-E106 IonicContact NZ-OE1 2.8Å; K36-E106 PolarHBondContact NZ-OE1 2.99Å; K36-E106 IonicContact NZ-OE2 2.85Å; K36-E106 PolarHBondContact NZ-OE2 3.08Å
37N98.6Very high98Very high96 Ų9671.7 Ų71.751%0.51338%0.376SS..Hα-helixtrans-64.4-40.7172.7-71.9-21.9000111.7A33 M34 G35 K40 A41A33-N37 PolarHBondContact O-N 3.49Å; A33-N37 VanDerWaalsContact O-N 3.08Å; M34-N37 WeakPolarHBondContact O-CB 3.5Å; M34-N37 PolarHBondContact O-N 2.93Å; G35-N37 VanDerWaalsContact C-N 3.34Å; G35-N37 PolarHBondContact O-N 3.12Å; N37-K40 PolarHBondContact O-N 2.66Å; N37-A41 PolarHBondContact O-N 2.67Å; N37-A41 VanDerWaalsContact O-N 3.11Å
38Y98.6Very high98Very high139 Ų13971 Ų7155%0.54538%0.375SS..Hα-helixtrans-67.5-43.9177.1-176.8-131.2000112.2M34 G35 K40 A41 L42 F97M34-Y38 PolarHBondContact O-N 3.37Å; G35-Y38 WeakPolarHBondContact O-CB 3.38Å; G35-Y38 PolarHBondContact O-N 2.93Å; G35-Y38 VanDerWaalsContact O-N 3.17Å; Y38-K40 VanDerWaalsContact C-N 3.34Å; Y38-K40 PolarHBondContact O-N 3.43Å; Y38-A41 WeakPolarHBondContact O-CB 3.39Å; Y38-A41 PolarHBondContact O-N 2.8Å; Y38-A41 VanDerWaalsContact O-N 3.16Å; Y38-L42 HydrophobicContact CD1-CD1 4.14Å; Y38-L42 HydrophobicContact CD2-CD1 4.44Å; Y38-L42 HydrophobicContact CD2-CG 4.34Å; Y38-L42 HydrophobicContact CE1-CD1 3.75Å; Y38-L42 HydrophobicContact CE2-CD1 4.07Å; Y38-L42 HydrophobicContact CE2-CD2 4.17Å; Y38-L42 HydrophobicContact CE2-CG 4.02Å; Y38-L42 HydrophobicContact CG-CD1 4.48Å; Y38-L42 WeakPolarHBondContact O-CG 3.19Å; Y38-L42 PolarHBondContact O-N 3.47Å; Y38-F97 HydrophobicContact CD1-CE1 4.24Å; Y38-F97 HydrophobicContact CD1-CZ 4.05Å
39E98Very high98Very high43 Ų4371.3 Ų71.320%0.20138%0.379CS..Hα-helixtrans-54.5-49.6172.8-175-169.5175.300111.4G35 A41 L42 A43 L94 F97 H98 L102G35-E39 PolarHBondContact O-N 3.24Å; E39-A41 VanDerWaalsContact C-N 3.29Å; E39-A41 PolarHBondContact O-N 2.87Å; E39-L42 PolarHBondContact O-N 2.96Å; E39-A43 PolarHBondContact O-N 2.88Å; E39-L94 HydrophobicContact CB-CD1 4.39Å; E39-L94 HydrophobicContact CG-CD1 3.84Å; E39-L94 HydrophobicContact CG-CG 4.45Å; E39-F97 HydrophobicContact CB-CD1 4.33Å; E39-F97 HydrophobicContact CB-CE1 4.12Å; E39-H98 IonicContact OE1-CE1 2.82Å; E39-H98 IonicContact OE1-CG 2.73Å; E39-H98 IonicContact OE1-ND1 3.25Å; E39-H98 PolarHBondContact OE1-ND1 3.02Å; E39-H98 IonicContact OE2-CE1 3.43Å; E39-H98 IonicContact OE2-ND1 3.59Å; E39-H98 PolarHBondContact OE2-ND1 3.44Å; E39-L102 HydrophobicContact CB-CD1 4.4Å; E39-L102 WeakPolarHBondContact OE2-CD1 3.32Å
40K98Very high97.8Very high164 Ų16471.7 Ų71.771%0.71338%0.384SS*.Hα-helixtrans-59.6-38.5178.2-176.1178.9178.4-178.60112.4K36 N37 Y38 G44K36-K40 WeakPolarHBondContact O-CB 3.32Å; K36-K40 PolarHBondContact O-N 3.46Å; N37-K40 PolarHBondContact O-N 2.66Å; Y38-K40 VanDerWaalsContact C-N 3.34Å; Y38-K40 PolarHBondContact O-N 3.43Å; K40-G44 PolarHBondContact O-N 2.88Å; K40-G44 VanDerWaalsContact O-N 3.1Å
41A98.4Very high97.8Very high59 Ų5969 Ų6949%0.48838%0.379SS..Hα-helixtrans-66.4-44.9175.700000111.7N37 Y38 E39 A43 G44 V45N37-A41 PolarHBondContact O-N 2.67Å; N37-A41 VanDerWaalsContact O-N 3.11Å; Y38-A41 WeakPolarHBondContact O-CB 3.39Å; Y38-A41 PolarHBondContact O-N 2.8Å; Y38-A41 VanDerWaalsContact O-N 3.16Å; E39-A41 VanDerWaalsContact C-N 3.29Å; E39-A41 PolarHBondContact O-N 2.87Å; A41-A43 PolarHBondContact O-N 3.16Å; A41-G44 PolarHBondContact O-N 3.18Å; A41-G44 VanDerWaalsContact O-N 3.15Å; A41-V45 WeakPolarHBondContact O-CG2 3.3Å; A41-V45 PolarHBondContact O-N 3.38Å
42L96.6Very high97.8Very high27 Ų2772.5 Ų72.514%0.14139%0.392CS..Hα-helixtrans-64.1-37177.1-69.3175.5000112.8Y38 E39 V45 T46 L94Y38-L42 HydrophobicContact CD1-CD1 4.14Å; Y38-L42 HydrophobicContact CD2-CD1 4.44Å; Y38-L42 HydrophobicContact CD2-CG 4.34Å; Y38-L42 HydrophobicContact CE1-CD1 3.75Å; Y38-L42 HydrophobicContact CE2-CD1 4.07Å; Y38-L42 HydrophobicContact CE2-CD2 4.17Å; Y38-L42 HydrophobicContact CE2-CG 4.02Å; Y38-L42 HydrophobicContact CG-CD1 4.48Å; Y38-L42 WeakPolarHBondContact O-CG 3.19Å; Y38-L42 PolarHBondContact O-N 3.47Å; E39-L42 PolarHBondContact O-N 2.96Å; L42-V45 PolarHBondContact O-N 3.47Å; L42-T46 WeakPolarHBondContact O-CB 3.49Å; L42-T46 PolarHBondContact O-N 2.9Å; L42-T46 PolarHBondContact O-OG1 3.01Å; L42-L94 HydrophobicContact CB-CD1 3.82Å; L42-L94 HydrophobicContact CB-CD2 4.24Å; L42-L94 HydrophobicContact CD1-CD1 3.78Å; L42-L94 HydrophobicContact CG-CD1 4.47Å
43A96.1Very high97.7Very high50 Ų5073.5 Ų73.541%0.41340%0.396SS..Hα-helixtrans-63.2-40.5171.800000111.8E39 A41 T46 Y47 L94E39-A43 PolarHBondContact O-N 2.88Å; A41-A43 PolarHBondContact O-N 3.16Å; A43-T46 WeakPolarHBondContact O-CB 3.42Å; A43-T46 PolarHBondContact O-N 2.68Å; A43-Y47 PolarHBondContact O-N 3.33Å; A43-Y47 VanDerWaalsContact O-N 3.07Å; A43-L94 HydrophobicContact CB-CD2 4.49Å
44G97.6Very high97.7Very high41 Ų4175.5 Ų75.542%0.42340%0.401SS..Hα-helixtrans-62.5-42.8173.500000113.2K40 A41 Y47 A48K40-G44 PolarHBondContact O-N 2.88Å; K40-G44 VanDerWaalsContact O-N 3.1Å; A41-G44 PolarHBondContact O-N 3.18Å; A41-G44 VanDerWaalsContact O-N 3.15Å; G44-Y47 PolarHBondContact O-N 3.49Å; G44-A48 PolarHBondContact O-N 3.38Å
45V97.6Very high97.7Very high82 Ų8273.6 Ų73.650%0.49740%0.4SS..Hα-helixtrans-61.2-44.5173.8172.10000111A41 L42 Y47 A48 A49A41-V45 WeakPolarHBondContact O-CG2 3.3Å; A41-V45 PolarHBondContact O-N 3.38Å; L42-V45 PolarHBondContact O-N 3.47Å; V45-Y47 VanDerWaalsContact C-N 3.33Å; V45-Y47 PolarHBondContact O-N 2.91Å; V45-A48 PolarHBondContact O-N 3.21Å; V45-A49 VanDerWaalsContact O-CB 3.23Å; V45-A49 WeakPolarHBondContact O-CB 3.48Å; V45-A49 PolarHBondContact O-N 3.42Å
46T96.1Very high97.7Very high22 Ų2274.4 Ų74.414%0.13540%0.403CS..Hα-helixtrans-57.4-44.9177.9-59.70000111.9L42 A43 K50 Q87 E91L42-T46 WeakPolarHBondContact O-CB 3.49Å; L42-T46 PolarHBondContact O-N 2.9Å; L42-T46 PolarHBondContact O-OG1 3.01Å; A43-T46 WeakPolarHBondContact O-CB 3.42Å; A43-T46 PolarHBondContact O-N 2.68Å; T46-K50 PolarHBondContact O-N 3.32Å; T46-Q87 HydrophobicContact CG2-CG 4.43Å; T46-Q87 PolarHBondContact OG1-NE2 2.86Å; T46-E91 HydrophobicContact CG2-CG 4.04Å
47Y95.9Very high97.7Very high193 Ų19372.8 Ų72.876%0.75740%0.4SS*.Hα-helixtrans-64.3-46.1176.6-179.2-95.5000112.6A43 G44 V45 K50 G51A43-Y47 PolarHBondContact O-N 3.33Å; A43-Y47 VanDerWaalsContact O-N 3.07Å; G44-Y47 PolarHBondContact O-N 3.49Å; V45-Y47 VanDerWaalsContact C-N 3.33Å; V45-Y47 PolarHBondContact O-N 2.91Å; Y47-K50 PolarHBondContact O-N 3.09Å; Y47-G51 PolarHBondContact O-N 3.36Å
48A98.4Very high97.7Very high64 Ų6473.3 Ų73.353%0.52940%0.398SS..Hα-helixtrans-64.9-40.3178.600000112.3G44 V45 K50 G51 Y52G44-A48 PolarHBondContact O-N 3.38Å; V45-A48 PolarHBondContact O-N 3.21Å; A48-K50 VanDerWaalsContact C-N 3.35Å; A48-K50 PolarHBondContact O-N 2.99Å; A48-G51 PolarHBondContact O-N 2.96Å; A48-Y52 PolarHBondContact O-N 3.22Å; A48-Y52 VanDerWaalsContact O-N 3.11Å
49A97.9Very high97.7Very high17 Ų1771.9 Ų71.914%0.1440%0.398CS..Hα-helixtrans-59.5-43.9177.200000111.6V45 G51 Y52 F53V45-A49 VanDerWaalsContact O-CB 3.23Å; V45-A49 WeakPolarHBondContact O-CB 3.48Å; V45-A49 PolarHBondContact O-N 3.42Å; A49-G51 PolarHBondContact O-N 3.11Å; A49-Y52 PolarHBondContact O-N 2.82Å; A49-F53 HydrophobicContact CB-CE2 3.73Å; A49-F53 HydrophobicContact CB-CZ 3.75Å; A49-F53 WeakPolarHBondContact O-CD2 3.37Å; A49-F53 WeakPolarHBondContact O-CE2 3.47Å; A49-F53 WeakPolarHBondContact O-CG 3.37Å; A49-F53 PolarHBondContact O-N 2.95Å
50K95.4Very high97.7Very high115 Ų11569.9 Ų69.950%0.539%0.388SS..Hα-helixtrans-55.4-49.6174.8-168.6-160.5178.2-54.60111.8T46 Y47 A48 Y52 F53 D54T46-K50 PolarHBondContact O-N 3.32Å; Y47-K50 PolarHBondContact O-N 3.09Å; A48-K50 VanDerWaalsContact C-N 3.35Å; A48-K50 PolarHBondContact O-N 2.99Å; K50-Y52 VanDerWaalsContact C-N 3.29Å; K50-Y52 PolarHBondContact O-N 2.92Å; K50-F53 PolarHBondContact O-N 3.2Å; K50-D54 IonicContact NZ-OD1 2.77Å; K50-D54 PolarHBondContact NZ-OD1 3.22Å; K50-D54 IonicContact NZ-OD2 2.62Å; K50-D54 PolarHBondContact NZ-OD2 3.43Å; K50-D54 PolarHBondContact O-N 3.31Å
51G97.9Very high97.8Very high42 Ų4265.6 Ų65.643%0.43337%0.371SS..Hα-helixtrans-61.7-35.2179.500000113.4Y47 A48 A49 A55Y47-G51 PolarHBondContact O-N 3.36Å; A48-G51 PolarHBondContact O-N 2.96Å; A49-G51 PolarHBondContact O-N 3.11Å; G51-A55 WeakPolarHBondContact O-CB 3.33Å; G51-A55 PolarHBondContact O-N 2.84Å; G51-A55 VanDerWaalsContact O-N 3.16Å
52Y98.6Very high97.8Very high140 Ų14067 Ų6755%0.54937%0.37SS..Hα-helixtrans-67.6-43173.3175.3-104.2000112.3A48 A49 K50 A55 L56A48-Y52 PolarHBondContact O-N 3.22Å; A48-Y52 VanDerWaalsContact O-N 3.11Å; A49-Y52 PolarHBondContact O-N 2.82Å; K50-Y52 VanDerWaalsContact C-N 3.29Å; K50-Y52 PolarHBondContact O-N 2.92Å; Y52-A55 PolarHBondContact O-N 3.3Å; Y52-L56 PolarHBondContact O-N 2.71Å
53F98.1Very high97.9Very high25 Ų2566.4 Ų66.411%0.1137%0.369CS..Hα-helixtrans-68.4-39.7177.8-50.6-33.7000112.1A49 K50 A55 L56 V57 H83 Q87A49-F53 HydrophobicContact CB-CE2 3.73Å; A49-F53 HydrophobicContact CB-CZ 3.75Å; A49-F53 WeakPolarHBondContact O-CD2 3.37Å; A49-F53 WeakPolarHBondContact O-CE2 3.47Å; A49-F53 WeakPolarHBondContact O-CG 3.37Å; A49-F53 PolarHBondContact O-N 2.95Å; K50-F53 PolarHBondContact O-N 3.2Å; F53-A55 VanDerWaalsContact C-N 3.3Å; F53-A55 PolarHBondContact O-N 2.74Å; F53-L56 WeakPolarHBondContact O-CB 3.17Å; F53-L56 PolarHBondContact O-N 2.98Å; F53-L56 VanDerWaalsContact O-N 3.17Å; F53-V57 WeakPolarHBondContact O-CG2 3.18Å; F53-V57 PolarHBondContact O-N 3.35Å; F53-H83 HydrophobicContact CD1-CB 3.65Å; F53-H83 AromaticContact CD1-CG 3.99Å; F53-H83 HydrophobicContact CD2-CB 4.24Å; F53-H83 HydrophobicContact CE1-CB 3.37Å; F53-H83 AromaticContact CE1-CG 3.46Å; F53-H83 VanDerWaalsContact CE1-CG 3.46Å; F53-H83 AromaticContact CE1-ND1 3.79Å; F53-H83 HydrophobicContact CE2-CB 3.99Å; F53-H83 HydrophobicContact CG-CB 4.12Å; F53-H83 HydrophobicContact CZ-CB 3.57Å; F53-H83 AromaticContact CZ-CG 3.95Å; F53-Q87 HydrophobicContact CE2-CB 4.19Å; F53-Q87 HydrophobicContact CE2-CG 4.43Å
54D98.2Very high97.9Very high84 Ų8465.7 Ų65.745%0.44936%0.36SS..Hα-helixtrans-59-41.8174.1-63.9-24.2000110.8K50 V57 K58K50-D54 IonicContact NZ-OD1 2.77Å; K50-D54 PolarHBondContact NZ-OD1 3.22Å; K50-D54 IonicContact NZ-OD2 2.62Å; K50-D54 PolarHBondContact NZ-OD2 3.43Å; K50-D54 PolarHBondContact O-N 3.31Å; D54-V57 PolarHBondContact O-N 3.24Å; D54-K58 PolarHBondContact O-N 2.95Å; D54-K58 VanDerWaalsContact O-N 3.11Å
55A98.7Very high97.9Very high57 Ų5770.3 Ų70.347%0.47137%0.371SS..Hα-helixtrans-67.9-36.1175.200000113G51 Y52 F53 K58 M59G51-A55 WeakPolarHBondContact O-CB 3.33Å; G51-A55 PolarHBondContact O-N 2.84Å; G51-A55 VanDerWaalsContact O-N 3.16Å; Y52-A55 PolarHBondContact O-N 3.3Å; F53-A55 VanDerWaalsContact C-N 3.3Å; F53-A55 PolarHBondContact O-N 2.74Å; A55-K58 WeakPolarHBondContact O-CB 3.4Å; A55-K58 PolarHBondContact O-N 3.18Å; A55-M59 PolarHBondContact O-N 2.86Å
56L98.6Very high97.9Very high22 Ų2268 Ų6812%0.11536%0.358CS..Hα-helixtrans-65.5-41.5175.3-172.166.1000111.7Y52 F53 K58 M59 G60 L76 M79 A80Y52-L56 PolarHBondContact O-N 2.71Å; F53-L56 WeakPolarHBondContact O-CB 3.17Å; F53-L56 PolarHBondContact O-N 2.98Å; F53-L56 VanDerWaalsContact O-N 3.17Å; L56-K58 VanDerWaalsContact C-N 3.28Å; L56-K58 PolarHBondContact O-N 2.7Å; L56-M59 PolarHBondContact O-N 3.01Å; L56-G60 PolarHBondContact O-N 3.49Å; L56-G60 VanDerWaalsContact O-N 3.09Å; L56-L76 HydrophobicContact CD1-CD2 3.67Å; L56-L76 HydrophobicContact CG-CD2 4.41Å; L56-M79 HydrophobicContact CD2-CB 3.99Å; L56-A80 HydrophobicContact CD2-CB 4.21Å
57V98.8Very high97.8Very high47 Ų4774.5 Ų74.529%0.28539%0.387SS..Hα-helixtrans-58-42.5170.9171.70000110.3F53 D54 M59 G60 E61 F77 A80F53-V57 WeakPolarHBondContact O-CG2 3.18Å; F53-V57 PolarHBondContact O-N 3.35Å; D54-V57 PolarHBondContact O-N 3.24Å; V57-M59 VanDerWaalsContact C-N 3.28Å; V57-M59 PolarHBondContact O-N 3.44Å; V57-G60 CarbonylContact O-C 3.59Å; V57-G60 WeakPolarHBondContact O-CA 3.22Å; V57-G60 PolarHBondContact O-N 3.02Å; V57-E61 PolarHBondContact O-N 2.91Å; V57-F77 HydrophobicContact CG1-CD1 4.1Å; V57-F77 HydrophobicContact CG1-CE1 3.95Å; V57-F77 WeakPolarHBondContact O-CE1 3.35Å; V57-A80 HydrophobicContact CG2-CB 3.52Å
58K98.7Very high97.7Very high106 Ų10667.2 Ų67.246%0.46137%0.371SS..Hα-helixtrans-62.1-34.1178.6-172.354.7-177175.10113.3D54 A55 L56 G60 E61 L62D54-K58 PolarHBondContact O-N 2.95Å; D54-K58 VanDerWaalsContact O-N 3.11Å; A55-K58 WeakPolarHBondContact O-CB 3.4Å; A55-K58 PolarHBondContact O-N 3.18Å; L56-K58 VanDerWaalsContact C-N 3.28Å; L56-K58 PolarHBondContact O-N 2.7Å; K58-G60 VanDerWaalsContact C-N 3.35Å; K58-E61 WeakPolarHBondContact CD-OE2 3.47Å; K58-E61 WeakPolarHBondContact CE-OE2 2.78Å; K58-E61 IonicContact NZ-OE2 3.55Å; K58-E61 PolarHBondContact NZ-OE2 3.47Å; K58-E61 PolarHBondContact O-N 3.43Å; K58-L62 PolarHBondContact O-N 3.39Å
59M98.6Very high97.6Very high110 Ų11066.4 Ų66.454%0.54236%0.361SS..Hα-helixtrans-68.7-34.6171.3-63.1-55.2-59.900112.2A55 L56 V57 L62 A63 L76A55-M59 PolarHBondContact O-N 2.86Å; L56-M59 PolarHBondContact O-N 3.01Å; V57-M59 VanDerWaalsContact C-N 3.28Å; V57-M59 PolarHBondContact O-N 3.44Å; M59-L62 PolarHBondContact O-N 2.97Å; M59-L62 HydrophobicContact SD-CD1 4.25Å; M59-A63 PolarHBondContact O-N 2.91Å; M59-L76 HydrophobicContact CB-CD1 4.19Å
60G98.6Very high97.5Very high0 Ų071 Ų710%038%0.378CS..Hα-helixtrans-61.9-40.117300000113.4L56 V57 K58 A63 S64 G73 F77L56-G60 PolarHBondContact O-N 3.49Å; L56-G60 VanDerWaalsContact O-N 3.09Å; V57-G60 CarbonylContact O-C 3.59Å; V57-G60 WeakPolarHBondContact O-CA 3.22Å; V57-G60 PolarHBondContact O-N 3.02Å; K58-G60 VanDerWaalsContact C-N 3.35Å; G60-A63 PolarHBondContact O-N 2.7Å; G60-S64 WeakPolarHBondContact O-CB 3.32Å; G60-S64 PolarHBondContact O-N 3.37Å; G60-S64 PolarHBondContact O-OG 2.95Å; G60-G73 WeakPolarHBondContact O-CA 3.36Å; G60-F77 VanDerWaalsContact C-CZ 3.41Å
61E98.6Very high97.4Very high74 Ų7469.8 Ų69.835%0.34637%0.374SS..Hα-helixtrans-59.4-51.1173.9-65.9174.7-17300111.3V57 K58 A63 S64 E65 F77V57-E61 PolarHBondContact O-N 2.91Å; K58-E61 WeakPolarHBondContact CD-OE2 3.47Å; K58-E61 WeakPolarHBondContact CE-OE2 2.78Å; K58-E61 IonicContact NZ-OE2 3.55Å; K58-E61 PolarHBondContact NZ-OE2 3.47Å; K58-E61 PolarHBondContact O-N 3.43Å; E61-A63 VanDerWaalsContact C-N 3.31Å; E61-A63 PolarHBondContact O-N 2.89Å; E61-S64 WeakPolarHBondContact O-CB 3.44Å; E61-S64 PolarHBondContact O-N 3.48Å; E61-S64 VanDerWaalsContact O-N 3.12Å; E61-E65 WeakPolarHBondContact O-CG 3.47Å; E61-E65 PolarHBondContact O-N 3.04Å; E61-F77 HydrophobicContact CG-CE1 4.09Å; E61-F77 HydrophobicContact CG-CZ 4.12Å
62L98.6Very high97.4Very high89 Ų8970.3 Ų70.347%0.46637%0.367SS..Hα-helixtrans-60.9-38.7179.1-64.6174.4000112.5K58 M59 S66K58-L62 PolarHBondContact O-N 3.39Å; M59-L62 PolarHBondContact O-N 2.97Å; M59-L62 HydrophobicContact SD-CD1 4.25Å; L62-S66 PolarHBondContact O-N 3.19Å
63A98.1Very high97.4Very high15 Ų1563.7 Ų63.712%0.12434%0.341CS..Hα-helixtrans-67.3-40.1174.900000112M59 G60 E61 E65 S66 S69 K70 L76M59-A63 PolarHBondContact O-N 2.91Å; G60-A63 PolarHBondContact O-N 2.7Å; E61-A63 VanDerWaalsContact C-N 3.31Å; E61-A63 PolarHBondContact O-N 2.89Å; A63-E65 VanDerWaalsContact C-N 3.33Å; A63-E65 PolarHBondContact O-N 2.71Å; A63-S66 VanDerWaalsContact O-CB 3.29Å; A63-S66 WeakPolarHBondContact O-CB 3.4Å; A63-S66 PolarHBondContact O-N 3.09Å; A63-S66 PolarHBondContact O-OG 2.99Å; A63-S69 CarbonylContact O-C 3.6Å; A63-K70 WeakPolarHBondContact O-CA 3.46Å; A63-K70 PolarHBondContact O-N 3.23Å; A63-L76 HydrophobicContact CB-CD1 4.23Å
64S97.7Very high97.3Very high34 Ų3467 Ų6724%0.23836%0.36CS..Hα-helixtrans-64.6-34.6178.1-57.10000113.2G60 E61 K70 G73 F77G60-S64 WeakPolarHBondContact O-CB 3.32Å; G60-S64 PolarHBondContact O-N 3.37Å; G60-S64 PolarHBondContact O-OG 2.95Å; E61-S64 WeakPolarHBondContact O-CB 3.44Å; E61-S64 PolarHBondContact O-N 3.48Å; E61-S64 VanDerWaalsContact O-N 3.12Å; S64-K70 WeakPolarHBondContact O-CD 3.35Å; S64-K70 WeakPolarHBondContact O-CE 3.46Å; S64-K70 WeakPolarHBondContact O-CG 3.47Å; S64-G73 WeakPolarHBondContact OG-CA 3.4Å; S64-F77 VanDerWaalsContact OG-CE2 3.26Å; S64-F77 WeakPolarHBondContact OG-CE2 3.19Å
65E97.3Very high97.4Very high139 Ų13964 Ų6465%0.6534%0.344SS*.Hα-helixtrans-79.2-18.4176.2-69.5175.4-174.900113.1E61 A63E61-E65 WeakPolarHBondContact O-CG 3.47Å; E61-E65 PolarHBondContact O-N 3.04Å; A63-E65 VanDerWaalsContact C-N 3.33Å; A63-E65 PolarHBondContact O-N 2.71Å
66S96.8Very high97.3Very high32 Ų3263.1 Ų63.122%0.22433%0.331CS..SBendtrans-65.1158-178.380.90000113.5L62 A63 S69 K70L62-S66 PolarHBondContact O-N 3.19Å; A63-S66 VanDerWaalsContact O-CB 3.29Å; A63-S66 WeakPolarHBondContact O-CB 3.4Å; A63-S66 PolarHBondContact O-N 3.09Å; A63-S66 PolarHBondContact O-OG 2.99Å; S66-S69 WeakPolarHBondContact OG-CA 3.26Å; S66-S69 WeakPolarHBondContact OG-CB 3.44Å; S66-S69 PolarHBondContact OG-N 3.07Å; S66-K70 WeakPolarHBondContact O-CE 3.24Å; S66-K70 WeakPolarHBondContact O-CG 3.27Å
67Q93.9Very high97.4Very high160 Ų16065.3 Ų65.375%0.74834%0.34SS*.SBendtrans-78.1-31.2173.7-60.5-59-36.100112.6P237Q67-P237 VanDerWaalsContact O-CG 3.31Å; Q67-P237 WeakPolarHBondContact O-CG 3.43Å
68G93.8Very high97.3Very high39 Ų3966.4 Ų66.440%0.40234%0.342SS..SBendtrans-97.9-24.3-169.900000116.1
69S96.8Very high97.3Very high48 Ų4863.9 Ų63.934%0.33633%0.333SS..  trans-135.326.3-156.8-52.20000114A63 S66 E71 L72 G73A63-S69 CarbonylContact O-C 3.6Å; S66-S69 WeakPolarHBondContact OG-CA 3.26Å; S66-S69 WeakPolarHBondContact OG-CB 3.44Å; S66-S69 PolarHBondContact OG-N 3.07Å; S69-E71 VanDerWaalsContact C-N 3.31Å; S69-E71 PolarHBondContact O-N 3.38Å; S69-L72 WeakPolarHBondContact O-CB 3.42Å; S69-L72 PolarHBondContact O-N 2.74Å; S69-G73 PolarHBondContact O-N 3.05Å
70K95.4Very high97.3Very high113 Ų11358.9 Ų58.949%0.49131%0.309SS..Hα-helixtrans-55.4-43.6-176.2-60.1-160.4171.1-163.20113.6A63 S64 S66 L72 G73A63-K70 WeakPolarHBondContact O-CA 3.46Å; A63-K70 PolarHBondContact O-N 3.23Å; S64-K70 WeakPolarHBondContact O-CD 3.35Å; S64-K70 WeakPolarHBondContact O-CE 3.46Å; S64-K70 WeakPolarHBondContact O-CG 3.47Å; S66-K70 WeakPolarHBondContact O-CE 3.24Å; S66-K70 WeakPolarHBondContact O-CG 3.27Å; K70-L72 PolarHBondContact O-N 2.94Å; K70-G73 WeakPolarHBondContact O-CA 3.4Å; K70-G73 PolarHBondContact O-N 3.31Å
71E93.8Very high97.3Very high90 Ų9062.1 Ų62.142%0.42132%0.324SS..Hα-helixtrans-60.9-25.5176.460.3-171.7-164.700113.4S69 G73 V75 K235S69-E71 VanDerWaalsContact C-N 3.31Å; S69-E71 PolarHBondContact O-N 3.38Å; E71-G73 VanDerWaalsContact C-N 3.33Å; E71-V75 WeakPolarHBondContact O-CG2 3.27Å; E71-V75 PolarHBondContact O-N 3.44Å; E71-K235 IonicContact OE1-NZ 3.06Å; E71-K235 PolarHBondContact OE1-NZ 2.93Å; E71-K235 IonicContact OE2-NZ 3.7Å; E71-K235 PolarHBondContact OE2-NZ 3.49Å
72L97.6Very high97.3Very high53 Ų5358.9 Ų58.928%0.27731%0.309SS..Hα-helixtrans-76-22.7173.3-56.3-174.5000112.3S69 K70 V75 L76 A229S69-L72 WeakPolarHBondContact O-CB 3.42Å; S69-L72 PolarHBondContact O-N 2.74Å; K70-L72 PolarHBondContact O-N 2.94Å; L72-V75 PolarHBondContact O-N 2.93Å; L72-L76 VanDerWaalsContact O-CG 3.28Å; L72-L76 WeakPolarHBondContact O-CG 3.4Å; L72-L76 PolarHBondContact O-N 3.39Å; L72-A229 HydrophobicContact CD2-CB 4.08Å; L72-A229 WeakPolarHBondContact CD2-O 3.38Å
73G98Very high97.3Very high0 Ų057.5 Ų57.50%030%0.3CS..Hα-helixtrans-62-50.4170.900000111.8G60 S64 S69 K70 E71 V75 L76 F77G60-G73 WeakPolarHBondContact O-CA 3.36Å; S64-G73 WeakPolarHBondContact OG-CA 3.4Å; S69-G73 PolarHBondContact O-N 3.05Å; K70-G73 WeakPolarHBondContact O-CA 3.4Å; K70-G73 PolarHBondContact O-N 3.31Å; E71-G73 VanDerWaalsContact C-N 3.33Å; G73-V75 PolarHBondContact O-N 3.28Å; G73-L76 PolarHBondContact O-N 2.9Å; G73-L76 VanDerWaalsContact O-N 3.13Å; G73-F77 VanDerWaalsContact O-CD2 3.22Å; G73-F77 WeakPolarHBondContact O-CD2 3.46Å; G73-F77 WeakPolarHBondContact O-CG 3.27Å; G73-F77 PolarHBondContact O-N 3.32Å
74D97.7Very high97.3Very high95 Ų9563.2 Ų63.251%0.50832%0.319SS..Hα-helixtrans-60.4-32175.5-70.1-37000113Q78D74-Q78 WeakPolarHBondContact O-CB 3.35Å; D74-Q78 VanDerWaalsContact O-CG 3.25Å; D74-Q78 WeakPolarHBondContact O-CG 3.44Å; D74-Q78 PolarHBondContact O-N 2.87Å; D74-Q78 VanDerWaalsContact O-N 3.11Å; D74-Q78 PolarHBondContact O-NE2 3.14Å
75V98.4Very high97.3Very high21 Ų2164.8 Ų64.813%0.12732%0.322CS..Hα-helixtrans-67.2-49.1173.2168.20000110.9E71 L72 G73 F77 Q78 M79 W226 A229E71-V75 WeakPolarHBondContact O-CG2 3.27Å; E71-V75 PolarHBondContact O-N 3.44Å; L72-V75 PolarHBondContact O-N 2.93Å; G73-V75 PolarHBondContact O-N 3.28Å; V75-F77 PolarHBondContact O-N 3.47Å; V75-Q78 PolarHBondContact O-N 3.39Å; V75-M79 HydrophobicContact CG1-CG 4.48Å; V75-M79 HydrophobicContact CG1-SD 4.01Å; V75-M79 WeakPolarHBondContact O-CG 3.38Å; V75-M79 PolarHBondContact O-N 3Å; V75-W226 HydrophobicContact CG1-CB 4.11Å; V75-W226 HydrophobicContact CG1-CG 4.01Å; V75-A229 HydrophobicContact CG2-CB 3.67Å
76L98.6Very high97.3Very high38 Ų3859.1 Ų59.120%0.19930%0.296CS..Hα-helixtrans-62.9-39.7179.8-69.5166.3000112.1L56 M59 A63 L72 G73 M79 A80L56-L76 HydrophobicContact CD1-CD2 3.67Å; L56-L76 HydrophobicContact CG-CD2 4.41Å; M59-L76 HydrophobicContact CB-CD1 4.19Å; A63-L76 HydrophobicContact CB-CD1 4.23Å; L72-L76 VanDerWaalsContact O-CG 3.28Å; L72-L76 WeakPolarHBondContact O-CG 3.4Å; L72-L76 PolarHBondContact O-N 3.39Å; G73-L76 PolarHBondContact O-N 2.9Å; G73-L76 VanDerWaalsContact O-N 3.13Å; L76-M79 HydrophobicContact CD2-SD 4.44Å; L76-M79 PolarHBondContact O-N 2.96Å; L76-A80 PolarHBondContact O-N 2.98Å
77F98.6Very high97.4Very high69 Ų6958.6 Ų58.630%0.30329%0.29SS..Hα-helixtrans-62.4-44172.5-62.2-39.3000112.2V57 G60 E61 S64 G73 V75 M79 A80 E81V57-F77 HydrophobicContact CG1-CD1 4.1Å; V57-F77 HydrophobicContact CG1-CE1 3.95Å; V57-F77 WeakPolarHBondContact O-CE1 3.35Å; G60-F77 VanDerWaalsContact C-CZ 3.41Å; E61-F77 HydrophobicContact CG-CE1 4.09Å; E61-F77 HydrophobicContact CG-CZ 4.12Å; S64-F77 VanDerWaalsContact OG-CE2 3.26Å; S64-F77 WeakPolarHBondContact OG-CE2 3.19Å; G73-F77 VanDerWaalsContact O-CD2 3.22Å; G73-F77 WeakPolarHBondContact O-CD2 3.46Å; G73-F77 WeakPolarHBondContact O-CG 3.27Å; G73-F77 PolarHBondContact O-N 3.32Å; V75-F77 PolarHBondContact O-N 3.47Å; F77-M79 VanDerWaalsContact C-N 3.35Å; F77-M79 PolarHBondContact O-N 3.48Å; F77-A80 PolarHBondContact O-N 3.17Å; F77-E81 PolarHBondContact O-N 2.93Å
78Q98.4Very high97.5Very high70 Ų7054.2 Ų54.233%0.32727%0.272SS..Hα-helixtrans-64.5-37176.2-77.51758100112.7D74 V75 V82 W226D74-Q78 WeakPolarHBondContact O-CB 3.35Å; D74-Q78 VanDerWaalsContact O-CG 3.25Å; D74-Q78 WeakPolarHBondContact O-CG 3.44Å; D74-Q78 PolarHBondContact O-N 2.87Å; D74-Q78 VanDerWaalsContact O-N 3.11Å; D74-Q78 PolarHBondContact O-NE2 3.14Å; V75-Q78 PolarHBondContact O-N 3.39Å; Q78-V82 WeakPolarHBondContact O-CB 3.42Å; Q78-V82 WeakPolarHBondContact O-CG2 3.45Å; Q78-V82 PolarHBondContact O-N 3.38Å; Q78-W226 HydrophobicContact CB-CZ2 4.4Å
79M98.6Very high97.6Very high52 Ų5254.6 Ų54.626%0.25626%0.263SS..Hα-helixtrans-62.3-48.1174.6-70.6173.470.400111.2L56 V75 L76 F77 E81 V82 H83 W226L56-M79 HydrophobicContact CD2-CB 3.99Å; V75-M79 HydrophobicContact CG1-CG 4.48Å; V75-M79 HydrophobicContact CG1-SD 4.01Å; V75-M79 WeakPolarHBondContact O-CG 3.38Å; V75-M79 PolarHBondContact O-N 3Å; L76-M79 HydrophobicContact CD2-SD 4.44Å; L76-M79 PolarHBondContact O-N 2.96Å; F77-M79 VanDerWaalsContact C-N 3.35Å; F77-M79 PolarHBondContact O-N 3.48Å; M79-E81 PolarHBondContact O-N 3.23Å; M79-V82 PolarHBondContact O-N 3.42Å; M79-H83 WeakPolarHBondContact O-CB 3.23Å; M79-H83 PolarHBondContact O-CD2 3.49Å; M79-H83 PolarHBondContact O-N 3.06Å; M79-W226 HydrophobicContact CB-CH2 4.29Å; M79-W226 HydrophobicContact CB-CZ2 4.21Å; M79-W226 HydrophobicContact CG-CD2 3.61Å; M79-W226 HydrophobicContact CG-CE3 3.78Å; M79-W226 HydrophobicContact CG-CG 4.24Å; M79-W226 HydrophobicContact CG-CH2 3.83Å; M79-W226 HydrophobicContact CG-CZ2 3.65Å; M79-W226 HydrophobicContact CG-CZ3 3.89Å; M79-W226 HydrophobicContact SD-CD2 4.42Å
80A98.4Very high97.6Very high5 Ų553 Ų534%0.04125%0.251CS..Hα-helixtrans-61.6-41.4177.700000112.7L56 V57 L76 F77 H83 R84L56-A80 HydrophobicContact CD2-CB 4.21Å; V57-A80 HydrophobicContact CG2-CB 3.52Å; L76-A80 PolarHBondContact O-N 2.98Å; F77-A80 PolarHBondContact O-N 3.17Å; A80-H83 WeakPolarHBondContact O-CB 3.29Å; A80-H83 PolarHBondContact O-N 3.4Å; A80-R84 WeakPolarHBondContact O-CB 3.35Å; A80-R84 PolarHBondContact O-N 3.47Å
81E98.3Very high97.6Very high68 Ų6850.8 Ų50.832%0.31824%0.242SC..Hα-helixtrans-71.3-38.6178.8176.854.4-157.200112.8F77 M79 H83 R84 Q85F77-E81 PolarHBondContact O-N 2.93Å; M79-E81 PolarHBondContact O-N 3.23Å; E81-H83 VanDerWaalsContact C-N 3.31Å; E81-H83 PolarHBondContact O-N 3.1Å; E81-R84 PolarHBondContact O-N 3.4Å; E81-R84 IonicContact OE1-NH2 3.89Å; E81-R84 PolarHBondContact OE1-NH2 2.86Å; E81-R84 IonicContact OE2-CZ 2.82Å; E81-R84 VanDerWaalsContact OE2-CZ 3.25Å; E81-R84 IonicContact OE2-NE 2.69Å; E81-R84 PolarHBondContact OE2-NE 3.37Å; E81-R84 IonicContact OE2-NH2 3.09Å; E81-R84 PolarHBondContact OE2-NH2 3.49Å; E81-Q85 WeakPolarHBondContact O-CG 3.35Å; E81-Q85 PolarHBondContact O-N 3.27Å; E81-Q85 WeakPolarHBondContact OE1-CG 3.47Å; E81-Q85 PolarHBondContact OE1-NE2 2.89Å
82V98.6Very high97.7Very high6 Ų651.9 Ų51.94%0.03625%0.247CC..Hα-helixtrans-59-45.8171.1164.20000110.6Q78 M79 R84 Q85 I86 L218 L219 K222 W226Q78-V82 WeakPolarHBondContact O-CB 3.42Å; Q78-V82 WeakPolarHBondContact O-CG2 3.45Å; Q78-V82 PolarHBondContact O-N 3.38Å; M79-V82 PolarHBondContact O-N 3.42Å; V82-R84 VanDerWaalsContact C-N 3.34Å; V82-R84 PolarHBondContact O-N 3.2Å; V82-Q85 PolarHBondContact O-N 2.87Å; V82-I86 HydrophobicContact CG1-CD1 3.84Å; V82-I86 VanDerWaalsContact O-CG1 3.3Å; V82-I86 WeakPolarHBondContact O-CG1 3.34Å; V82-I86 PolarHBondContact O-N 3.29Å; V82-I86 VanDerWaalsContact O-N 3.07Å; V82-L218 HydrophobicContact CG1-CB 3.87Å; V82-L218 HydrophobicContact CG1-CD1 4.42Å; V82-L218 HydrophobicContact CG2-CB 4.45Å; V82-L219 HydrophobicContact CG1-CD2 3.96Å; V82-L219 HydrophobicContact CG1-CG 4.45Å; V82-K222 HydrophobicContact CG2-CG 4.08Å; V82-W226 HydrophobicContact CB-CH2 3.93Å; V82-W226 HydrophobicContact CB-CZ2 4.25Å; V82-W226 HydrophobicContact CG1-CH2 4.02Å; V82-W226 HydrophobicContact CG2-CH2 3.97Å; V82-W226 HydrophobicContact CG2-CZ2 3.9Å
83H98.2Very high97.6Very high61 Ų6150.3 Ų50.328%0.28224%0.239SC..Hα-helixtrans-60-41.8174.8-86.3-59000112.7F53 M79 A80 E81 I86 Q87F53-H83 HydrophobicContact CD1-CB 3.65Å; F53-H83 AromaticContact CD1-CG 3.99Å; F53-H83 HydrophobicContact CD2-CB 4.24Å; F53-H83 HydrophobicContact CE1-CB 3.37Å; F53-H83 AromaticContact CE1-CG 3.46Å; F53-H83 VanDerWaalsContact CE1-CG 3.46Å; F53-H83 AromaticContact CE1-ND1 3.79Å; F53-H83 HydrophobicContact CE2-CB 3.99Å; F53-H83 HydrophobicContact CG-CB 4.12Å; F53-H83 HydrophobicContact CZ-CB 3.57Å; F53-H83 AromaticContact CZ-CG 3.95Å; M79-H83 WeakPolarHBondContact O-CB 3.23Å; M79-H83 PolarHBondContact O-CD2 3.49Å; M79-H83 PolarHBondContact O-N 3.06Å; A80-H83 WeakPolarHBondContact O-CB 3.29Å; A80-H83 PolarHBondContact O-N 3.4Å; E81-H83 VanDerWaalsContact C-N 3.31Å; E81-H83 PolarHBondContact O-N 3.1Å; H83-I86 PolarHBondContact O-N 3.41Å; H83-Q87 WeakPolarHBondContact O-CB 3.31Å; H83-Q87 PolarHBondContact O-N 3.2Å
84R98.1Very high97.5Very high134 Ų13451.3 Ų51.351%0.50624%0.244SC..Hα-helixtrans-63.2-41.3177-162.5175.471.2114.55.2112.3A80 E81 V82 Q87 N88A80-R84 WeakPolarHBondContact O-CB 3.35Å; A80-R84 PolarHBondContact O-N 3.47Å; E81-R84 PolarHBondContact O-N 3.4Å; E81-R84 IonicContact OE1-NH2 3.89Å; E81-R84 PolarHBondContact OE1-NH2 2.86Å; E81-R84 IonicContact OE2-CZ 2.82Å; E81-R84 VanDerWaalsContact OE2-CZ 3.25Å; E81-R84 IonicContact OE2-NE 2.69Å; E81-R84 PolarHBondContact OE2-NE 3.37Å; E81-R84 IonicContact OE2-NH2 3.09Å; E81-R84 PolarHBondContact OE2-NH2 3.49Å; V82-R84 VanDerWaalsContact C-N 3.34Å; V82-R84 PolarHBondContact O-N 3.2Å; R84-Q87 PolarHBondContact O-N 3.14Å; R84-N88 PolarHBondContact O-N 2.72Å; R84-N88 PolarHBondContact O-OD1 2.73Å
85Q97.9Very high97.4Very high68 Ų6852.1 Ų52.132%0.31824%0.243SC..Hα-helixtrans-64.9-39.2175.8-70.1177.930.300112.6E81 V82 Q89 L218E81-Q85 WeakPolarHBondContact O-CG 3.35Å; E81-Q85 PolarHBondContact O-N 3.27Å; E81-Q85 WeakPolarHBondContact OE1-CG 3.47Å; E81-Q85 PolarHBondContact OE1-NE2 2.89Å; V82-Q85 PolarHBondContact O-N 2.87Å; Q85-Q89 PolarHBondContact O-N 2.95Å; Q85-L218 HydrophobicContact CB-CD1 3.75Å
86I98.1Very high97.3Very high19 Ų1951.5 Ų51.510%0.09724%0.24CC..Hα-helixtrans-65.6-41.9174.2-66.8169.9000110.6V82 H83 Q89 L90 Y211 L218 L219V82-I86 HydrophobicContact CG1-CD1 3.84Å; V82-I86 VanDerWaalsContact O-CG1 3.3Å; V82-I86 WeakPolarHBondContact O-CG1 3.34Å; V82-I86 PolarHBondContact O-N 3.29Å; V82-I86 VanDerWaalsContact O-N 3.07Å; H83-I86 PolarHBondContact O-N 3.41Å; I86-Q89 PolarHBondContact O-N 3.42Å; I86-L90 PolarHBondContact O-N 3.14Å; I86-L90 VanDerWaalsContact O-N 3.14Å; I86-Y211 HydrophobicContact CG2-CD2 4.3Å; I86-Y211 HydrophobicContact CG2-CE2 3.53Å; I86-Y211 WeakPolarHBondContact O-CD2 3.37Å; I86-Y211 WeakPolarHBondContact O-CE2 3.4Å; I86-L218 HydrophobicContact CG1-CD1 4.04Å; I86-L219 HydrophobicContact CD1-CD1 4.32Å; I86-L219 HydrophobicContact CD1-CG 4.22Å
87Q97.9Very high97.3Very high21 Ų2150.4 Ų50.410%0.09823%0.233CC..Hα-helixtrans-65-38.9177.9-173.157.356.800112.4T46 F53 H83 R84 Q89 L90 E91T46-Q87 HydrophobicContact CG2-CG 4.43Å; T46-Q87 PolarHBondContact OG1-NE2 2.86Å; F53-Q87 HydrophobicContact CE2-CB 4.19Å; F53-Q87 HydrophobicContact CE2-CG 4.43Å; H83-Q87 WeakPolarHBondContact O-CB 3.31Å; H83-Q87 PolarHBondContact O-N 3.2Å; R84-Q87 PolarHBondContact O-N 3.14Å; Q87-Q89 VanDerWaalsContact C-N 3.31Å; Q87-Q89 PolarHBondContact O-N 3.38Å; Q87-L90 WeakPolarHBondContact O-CB 3.3Å; Q87-L90 PolarHBondContact O-N 3.36Å; Q87-L90 VanDerWaalsContact O-N 3.11Å; Q87-E91 PolarHBondContact O-N 3.36Å
88N96.3Very high97.3Very high68 Ų6850.3 Ų50.336%0.36423%0.234SC..Hα-helixtrans-59.8-40.1174.8-67.8-11.9000111.9R84 E91 E92R84-N88 PolarHBondContact O-N 2.72Å; R84-N88 PolarHBondContact O-OD1 2.73Å; N88-E91 WeakPolarHBondContact O-CB 3.46Å; N88-E91 PolarHBondContact O-N 3.37Å; N88-E92 PolarHBondContact O-N 3.36Å; N88-E92 VanDerWaalsContact O-N 3.08Å
89Q96.4Very high97.2Very high48 Ų4851.6 Ų51.622%0.22424%0.243CC..Hα-helixtrans-67.9-33.5174.7-73.9-65.7-67.500112.9Q85 I86 Q87 E91 E92 M93 Y211 K214Q85-Q89 PolarHBondContact O-N 2.95Å; I86-Q89 PolarHBondContact O-N 3.42Å; Q87-Q89 VanDerWaalsContact C-N 3.31Å; Q87-Q89 PolarHBondContact O-N 3.38Å; Q89-E91 VanDerWaalsContact C-N 3.34Å; Q89-E92 PolarHBondContact NE2-OE2 3.45Å; Q89-E92 PolarHBondContact O-N 2.88Å; Q89-M93 PolarHBondContact O-N 3.06Å; Q89-M93 VanDerWaalsContact O-N 3.08Å; Q89-Y211 HydrophobicContact CB-CD2 4.04Å; Q89-K214 HydrophobicContact CG-CB 4.18Å; Q89-K214 HydrophobicContact CG-CG 4.08Å
90L96.5Very high97.1Very high15 Ų1552.8 Ų52.88%0.07925%0.248CC..Hα-helixtrans-65.4-38.3172.1-179.955.5000111.4I86 Q87 M93 L94 Y211I86-L90 PolarHBondContact O-N 3.14Å; I86-L90 VanDerWaalsContact O-N 3.14Å; Q87-L90 WeakPolarHBondContact O-CB 3.3Å; Q87-L90 PolarHBondContact O-N 3.36Å; Q87-L90 VanDerWaalsContact O-N 3.11Å; L90-M93 HydrophobicContact CD1-CE 3.68Å; L90-M93 HydrophobicContact CD1-SD 4.37Å; L90-M93 WeakPolarHBondContact O-CB 3.38Å; L90-M93 PolarHBondContact O-N 3.38Å; L90-L94 WeakPolarHBondContact O-CB 3.32Å; L90-L94 PolarHBondContact O-N 3.4Å; L90-Y211 HydrophobicContact CB-CD2 3.91Å; L90-Y211 HydrophobicContact CB-CE2 3.69Å; L90-Y211 HydrophobicContact CG-CE2 4.49Å
91E96.1Very high97.1Very high65 Ų6552.5 Ų52.530%0.30425%0.246SC..Hα-helixtrans-65.9-38.1174.2-72.2-173.3-158.400113.4T46 Q87 N88 Q89 L94 K95T46-E91 HydrophobicContact CG2-CG 4.04Å; Q87-E91 PolarHBondContact O-N 3.36Å; N88-E91 WeakPolarHBondContact O-CB 3.46Å; N88-E91 PolarHBondContact O-N 3.37Å; Q89-E91 VanDerWaalsContact C-N 3.34Å; E91-L94 PolarHBondContact O-N 3.37Å; E91-K95 WeakPolarHBondContact O-CB 3.48Å; E91-K95 WeakPolarHBondContact O-CD 3.48Å; E91-K95 WeakPolarHBondContact O-CG 3.34Å; E91-K95 PolarHBondContact O-N 3.29Å; E91-K95 IonicContact OE2-NZ 2.72Å; E91-K95 PolarHBondContact OE2-NZ 3.42Å; E91-K95 VanDerWaalsContact OE2-NZ 3.09Å
92E94.6Very high97.1Very high113 Ų11349.3 Ų49.353%0.52823%0.231SC..Hα-helixtrans-63.2-43.4174.1-73.2179.6175.600111.3N88 Q89 L94 K95 S96N88-E92 PolarHBondContact O-N 3.36Å; N88-E92 VanDerWaalsContact O-N 3.08Å; Q89-E92 PolarHBondContact NE2-OE2 3.45Å; Q89-E92 PolarHBondContact O-N 2.88Å; E92-L94 VanDerWaalsContact C-N 3.34Å; E92-L94 PolarHBondContact O-N 3.13Å; E92-K95 PolarHBondContact O-N 3.42Å; E92-S96 PolarHBondContact O-N 2.72Å
93M95.6Very high97.1Very high20 Ų2050.9 Ų50.910%0.09924%0.24CC..Hα-helixtrans-58.4-44.5171.7-169.5-154.6-40.200111.8Q89 L90 S96 F97 N207 S208 Y211Q89-M93 PolarHBondContact O-N 3.06Å; Q89-M93 VanDerWaalsContact O-N 3.08Å; L90-M93 HydrophobicContact CD1-CE 3.68Å; L90-M93 HydrophobicContact CD1-SD 4.37Å; L90-M93 WeakPolarHBondContact O-CB 3.38Å; L90-M93 PolarHBondContact O-N 3.38Å; M93-S96 PolarHBondContact O-N 3.32Å; M93-F97 WeakPolarHBondContact O-CB 3.39Å; M93-F97 PolarHBondContact O-N 2.98Å; M93-N207 HydrophobicContact CB-CB 4.31Å; M93-N207 HydrophobicContact CG-CB 4.08Å; M93-S208 PolarHBondContact SD-OG 2.9Å; M93-Y211 HydrophobicContact CE-CD1 3.44Å; M93-Y211 VanDerWaalsContact CE-CD1 3.44Å; M93-Y211 HydrophobicContact CE-CD2 4.32Å; M93-Y211 HydrophobicContact CE-CE1 4.21Å; M93-Y211 HydrophobicContact CE-CG 3.51Å
94L96.9Very high97.1Very high22 Ų2250.9 Ų50.912%0.11524%0.241CC..Hα-helixtrans-66-41.1-179.6-170.262.7000112.1E39 L42 A43 L90 E91 E92 S96 F97 H98E39-L94 HydrophobicContact CB-CD1 4.39Å; E39-L94 HydrophobicContact CG-CD1 3.84Å; E39-L94 HydrophobicContact CG-CG 4.45Å; L42-L94 HydrophobicContact CB-CD1 3.82Å; L42-L94 HydrophobicContact CB-CD2 4.24Å; L42-L94 HydrophobicContact CD1-CD1 3.78Å; L42-L94 HydrophobicContact CG-CD1 4.47Å; A43-L94 HydrophobicContact CB-CD2 4.49Å; L90-L94 WeakPolarHBondContact O-CB 3.32Å; L90-L94 PolarHBondContact O-N 3.4Å; E91-L94 PolarHBondContact O-N 3.37Å; E92-L94 VanDerWaalsContact C-N 3.34Å; E92-L94 PolarHBondContact O-N 3.13Å; L94-S96 VanDerWaalsContact C-N 3.34Å; L94-S96 PolarHBondContact O-N 2.97Å; L94-F97 PolarHBondContact O-N 3.28Å; L94-H98 PolarHBondContact O-N 2.68Å
95K95.9Very high97.1Very high112 Ų11244.6 Ų44.649%0.48722%0.217SC..Hα-helixtrans-61.5-41.4174.3-72.7159.6-169.1156.20111.4E91 E92 N99E91-K95 WeakPolarHBondContact O-CB 3.48Å; E91-K95 WeakPolarHBondContact O-CD 3.48Å; E91-K95 WeakPolarHBondContact O-CG 3.34Å; E91-K95 PolarHBondContact O-N 3.29Å; E91-K95 IonicContact OE2-NZ 2.72Å; E91-K95 PolarHBondContact OE2-NZ 3.42Å; E91-K95 VanDerWaalsContact OE2-NZ 3.09Å; E92-K95 PolarHBondContact O-N 3.42Å; K95-N99 WeakPolarHBondContact O-CB 3.42Å; K95-N99 PolarHBondContact O-N 2.72Å; K95-N99 PolarHBondContact O-ND2 3.43Å
96S95.8Very high97.1Very high7 Ų745 Ų455%0.04922%0.219CC..Hα-helixtrans-66.4-45.2173.91770000111.9E92 M93 L94 H98 N99 E100 N207E92-S96 PolarHBondContact O-N 2.72Å; M93-S96 PolarHBondContact O-N 3.32Å; L94-S96 VanDerWaalsContact C-N 3.34Å; L94-S96 PolarHBondContact O-N 2.97Å; S96-H98 VanDerWaalsContact C-N 3.31Å; S96-H98 PolarHBondContact O-N 3.1Å; S96-N99 PolarHBondContact O-N 3.18Å; S96-E100 VanDerWaalsContact CB-OE1 3.27Å; S96-E100 WeakPolarHBondContact CB-OE1 3.47Å; S96-E100 WeakPolarHBondContact O-CA 3.43Å; S96-E100 VanDerWaalsContact O-CB 3.3Å; S96-E100 WeakPolarHBondContact O-CB 3.29Å; S96-E100 PolarHBondContact O-N 3.16Å; S96-E100 PolarHBondContact OG-OE1 3.4Å; S96-N207 VanDerWaalsContact CB-ND2 3.25Å; S96-N207 WeakPolarHBondContact CB-ND2 3.17Å; S96-N207 PolarHBondContact OG-ND2 3.11Å
97F98.4Very high97.1Very high16 Ų1649.8 Ų49.87%0.0724%0.241CC..Iπ-helixtrans-56.4-42.8176.4179.7-107.7000112.6G35 Y38 E39 M93 L94 L101 L102 V204G35-F97 WeakPolarHBondContact O-CE1 3.43Å; Y38-F97 HydrophobicContact CD1-CE1 4.24Å; Y38-F97 HydrophobicContact CD1-CZ 4.05Å; E39-F97 HydrophobicContact CB-CD1 4.33Å; E39-F97 HydrophobicContact CB-CE1 4.12Å; M93-F97 WeakPolarHBondContact O-CB 3.39Å; M93-F97 PolarHBondContact O-N 2.98Å; L94-F97 PolarHBondContact O-N 3.28Å; F97-L101 HydrophobicContact CD2-CD1 4.27Å; F97-L101 HydrophobicContact CD2-CD2 4.28Å; F97-L101 HydrophobicContact CE2-CD1 4.21Å; F97-L101 HydrophobicContact CE2-CD2 3.89Å; F97-L101 HydrophobicContact CZ-CD2 4.49Å; F97-L101 WeakPolarHBondContact O-CB 3.39Å; F97-L101 PolarHBondContact O-N 2.93Å; F97-L102 HydrophobicContact CD1-CD1 3.98Å; F97-L102 HydrophobicContact CD1-CG 4.39Å; F97-L102 HydrophobicContact CE1-CD1 3.65Å; F97-L102 HydrophobicContact CE1-CD2 4.37Å; F97-L102 HydrophobicContact CE1-CG 4.09Å; F97-L102 HydrophobicContact CZ-CD1 4.28Å; F97-L102 HydrophobicContact CZ-CD2 4.18Å; F97-L102 HydrophobicContact CZ-CG 4.3Å; F97-L102 PolarHBondContact O-N 3.19Å; F97-V204 HydrophobicContact CB-CG1 4.45Å; F97-V204 HydrophobicContact CB-CG2 4.33Å; F97-V204 HydrophobicContact CD2-CG1 3.97Å; F97-V204 HydrophobicContact CD2-CG2 4.01Å
98H98.4Very high97Very high67 Ų6753.8 Ų53.831%0.3126%0.258SS..Iπ-helixtrans-65.1-63173-170.497.9000111.7E39 L94 S96 L102 T103E39-H98 IonicContact OE1-CE1 2.82Å; E39-H98 IonicContact OE1-CG 2.73Å; E39-H98 IonicContact OE1-ND1 3.25Å; E39-H98 PolarHBondContact OE1-ND1 3.02Å; E39-H98 IonicContact OE2-CE1 3.43Å; E39-H98 IonicContact OE2-ND1 3.59Å; E39-H98 PolarHBondContact OE2-ND1 3.44Å; L94-H98 PolarHBondContact O-N 2.68Å; S96-H98 VanDerWaalsContact C-N 3.31Å; S96-H98 PolarHBondContact O-N 3.1Å; H98-L102 PolarHBondContact O-N 3.35Å; H98-T103 PolarHBondContact O-N 3Å; H98-T103 PolarHBondContact O-OG1 2.82Å
99N96.4Very high97.1Very high97 Ų9750.7 Ų50.752%0.51924%0.241SC..Iπ-helixtrans-72.6-35.2-166.5-66.8-44.7000114.2K95 S96K95-N99 WeakPolarHBondContact O-CB 3.42Å; K95-N99 PolarHBondContact O-N 2.72Å; K95-N99 PolarHBondContact O-ND2 3.43Å; S96-N99 PolarHBondContact O-N 3.18Å
100E96.1Very high97.1Very high76 Ų7653.2 Ų53.236%0.35525%0.253SS..Iπ-helixtrans-98.2-31.3-173.1-61.7178.6-111.700113.3S96 Q104S96-E100 VanDerWaalsContact CB-OE1 3.27Å; S96-E100 WeakPolarHBondContact CB-OE1 3.47Å; S96-E100 WeakPolarHBondContact O-CA 3.43Å; S96-E100 VanDerWaalsContact O-CB 3.3Å; S96-E100 WeakPolarHBondContact O-CB 3.29Å; S96-E100 PolarHBondContact O-N 3.16Å; S96-E100 PolarHBondContact OG-OE1 3.4Å; E100-Q104 WeakPolarHBondContact O-CB 3.49Å; E100-Q104 VanDerWaalsContact O-CD 3.25Å; E100-Q104 VanDerWaalsContact O-CG 3.32Å; E100-Q104 WeakPolarHBondContact O-CG 3.23Å
101L98.4Very high97Very high0 Ų058.7 Ų58.70%028%0.282CS..Iπ-helixtrans-100.3-65.1178.7-175.8155.4000111.3F31 F97 L105 K200 Q201 V204F31-L101 HydrophobicContact CE1-CD2 4.05Å; F31-L101 HydrophobicContact CZ-CD2 4.39Å; F97-L101 HydrophobicContact CD2-CD1 4.27Å; F97-L101 HydrophobicContact CD2-CD2 4.28Å; F97-L101 HydrophobicContact CE2-CD1 4.21Å; F97-L101 HydrophobicContact CE2-CD2 3.89Å; F97-L101 HydrophobicContact CZ-CD2 4.49Å; F97-L101 WeakPolarHBondContact O-CB 3.39Å; F97-L101 PolarHBondContact O-N 2.93Å; L101-L105 HydrophobicContact CD2-CD1 3.77Å; L101-L105 HydrophobicContact CG-CD1 3.92Å; L101-L105 WeakPolarHBondContact O-CB 3.38Å; L101-L105 WeakPolarHBondContact O-CG 3.37Å; L101-L105 PolarHBondContact O-N 3.37Å; L101-K200 HydrophobicContact CB-CB 4.13Å; L101-K200 HydrophobicContact CD1-CB 4.24Å; L101-K200 HydrophobicContact CG-CB 4.04Å; L101-Q201 HydrophobicContact CD1-CG 4.23Å; L101-V204 HydrophobicContact CB-CG2 3.94Å; L101-V204 HydrophobicContact CD1-CG2 3.81Å
102L98.6Very high97Very high1 Ų156.5 Ų56.51%0.00527%0.272CS..Iπ-helixtrans-64.7-52.5-171.8-63.2177.3000112.2K36 E39 F97 H98 Q104 L105 E106K36-L102 HydrophobicContact CG-CD1 4.15Å; E39-L102 HydrophobicContact CB-CD1 4.4Å; E39-L102 WeakPolarHBondContact OE2-CD1 3.32Å; F97-L102 HydrophobicContact CD1-CD1 3.98Å; F97-L102 HydrophobicContact CD1-CG 4.39Å; F97-L102 HydrophobicContact CE1-CD1 3.65Å; F97-L102 HydrophobicContact CE1-CD2 4.37Å; F97-L102 HydrophobicContact CE1-CG 4.09Å; F97-L102 HydrophobicContact CZ-CD1 4.28Å; F97-L102 HydrophobicContact CZ-CD2 4.18Å; F97-L102 HydrophobicContact CZ-CG 4.3Å; F97-L102 PolarHBondContact O-N 3.19Å; H98-L102 PolarHBondContact O-N 3.35Å; L102-Q104 VanDerWaalsContact C-N 3.34Å; L102-Q104 PolarHBondContact O-N 3.45Å; L102-L105 PolarHBondContact O-N 3.3Å; L102-E106 PolarHBondContact O-N 3.34Å
103T98.5Very high96.7Very high39 Ų3954.2 Ų54.224%0.23927%0.268CS..Hα-helixtrans-60.3-41.8-179.2-500000112.1H98 E106 Q107H98-T103 PolarHBondContact O-N 3Å; H98-T103 PolarHBondContact O-OG1 2.82Å; T103-E106 PolarHBondContact O-N 2.76Å; T103-Q107 VanDerWaalsContact O-CG 3.29Å; T103-Q107 WeakPolarHBondContact O-CG 3.39Å; T103-Q107 PolarHBondContact O-N 3.26Å
104Q98.4Very high96.6Very high61 Ų6162.7 Ų62.729%0.28530%0.299SS..Hα-helixtrans-73-35.5-178.4-60.5-167.22600112.8E100 L102 K108 F196E100-Q104 WeakPolarHBondContact O-CB 3.49Å; E100-Q104 VanDerWaalsContact O-CD 3.25Å; E100-Q104 VanDerWaalsContact O-CG 3.32Å; E100-Q104 WeakPolarHBondContact O-CG 3.23Å; L102-Q104 VanDerWaalsContact C-N 3.34Å; L102-Q104 PolarHBondContact O-N 3.45Å; Q104-K108 WeakPolarHBondContact O-CB 3.43Å; Q104-K108 PolarHBondContact O-N 3.38Å; Q104-F196 HydrophobicContact CB-CE1 4.39Å; Q104-F196 HydrophobicContact CB-CZ 4.06Å
105L98.4Very high96.7Very high2 Ų267 Ų671%0.0132%0.315CS..Hα-helixtrans-68.9-38.8174.4-67.9174.5000111.3L28 F31 I32 L101 L102 K108 V109 F196 L197L28-L105 HydrophobicContact CD1-CD1 4.21Å; L28-L105 HydrophobicContact CD1-CD2 4.19Å; L28-L105 HydrophobicContact CD2-CD2 4.49Å; F31-L105 HydrophobicContact CD1-CD1 4.19Å; F31-L105 HydrophobicContact CE1-CD1 3.76Å; I32-L105 HydrophobicContact CD1-CB 3.88Å; I32-L105 HydrophobicContact CG1-CB 3.99Å; L101-L105 HydrophobicContact CD2-CD1 3.77Å; L101-L105 HydrophobicContact CG-CD1 3.92Å; L101-L105 WeakPolarHBondContact O-CB 3.38Å; L101-L105 WeakPolarHBondContact O-CG 3.37Å; L101-L105 PolarHBondContact O-N 3.37Å; L102-L105 PolarHBondContact O-N 3.3Å; L105-K108 PolarHBondContact O-N 3.33Å; L105-V109 WeakPolarHBondContact O-CB 3.33Å; L105-V109 WeakPolarHBondContact O-CG1 3.4Å; L105-V109 PolarHBondContact O-N 3.33Å; L105-F196 HydrophobicContact CD2-CD1 3.81Å; L105-F196 HydrophobicContact CD2-CE1 3.87Å; L105-L197 HydrophobicContact CD1-CD1 3.9Å; L105-L197 HydrophobicContact CD2-CD1 4.33Å
106E98.2Very high96.8Very high76 Ų7661.7 Ų61.736%0.35529%0.292SS..Hα-helixtrans-62-49.3173-78.2-166.1131.100112.5I32 K36 L102 T103 K108 V109 E110I32-E106 HydrophobicContact CD1-CG 3.93Å; I32-E106 HydrophobicContact CG1-CG 4.43Å; I32-E106 HydrophobicContact CG2-CG 3.47Å; I32-E106 VanDerWaalsContact CG2-CG 3.47Å; K36-E106 WeakPolarHBondContact CE-OE1 3.31Å; K36-E106 VanDerWaalsContact CE-OE2 3.29Å; K36-E106 WeakPolarHBondContact CE-OE2 3.4Å; K36-E106 IonicContact NZ-OE1 2.8Å; K36-E106 PolarHBondContact NZ-OE1 2.99Å; K36-E106 IonicContact NZ-OE2 2.85Å; K36-E106 PolarHBondContact NZ-OE2 3.08Å; L102-E106 PolarHBondContact O-N 3.34Å; T103-E106 PolarHBondContact O-N 2.76Å; E106-K108 VanDerWaalsContact C-N 3.31Å; E106-K108 PolarHBondContact O-N 3.07Å; E106-V109 PolarHBondContact O-N 3.28Å; E106-E110 WeakPolarHBondContact O-CB 3.29Å; E106-E110 PolarHBondContact O-N 3.31Å; E106-E110 VanDerWaalsContact O-N 3.16Å
107Q97.4Very high96.8Very high120 Ų12064.4 Ų64.456%0.56131%0.311SS*.Hα-helixtrans-59.2-42177.1-73.5174.63.200112T103 L111T103-Q107 VanDerWaalsContact O-CG 3.29Å; T103-Q107 WeakPolarHBondContact O-CG 3.39Å; T103-Q107 PolarHBondContact O-N 3.26Å; Q107-L111 WeakPolarHBondContact O-CG 3.38Å; Q107-L111 PolarHBondContact O-N 3.33Å
108K96.5Very high96.8Very high105 Ų10566.6 Ų66.646%0.45733%0.332SS..Hα-helixtrans-64.4-55.3176.5-82-142.8-177.3-65.60112Q104 L105 E106 E110 L111 D112 F196Q104-K108 WeakPolarHBondContact O-CB 3.43Å; Q104-K108 PolarHBondContact O-N 3.38Å; L105-K108 PolarHBondContact O-N 3.33Å; E106-K108 VanDerWaalsContact C-N 3.31Å; E106-K108 PolarHBondContact O-N 3.07Å; K108-E110 PolarHBondContact O-N 3.3Å; K108-E110 VanDerWaalsContact O-N 3.16Å; K108-L111 PolarHBondContact O-N 3.33Å; K108-D112 WeakPolarHBondContact O-CB 3.45Å; K108-D112 PolarHBondContact O-N 3.01Å; K108-F196 HydrophobicContact CB-CE1 4.48Å; K108-F196 HydrophobicContact CD-CD1 3.65Å; K108-F196 HydrophobicContact CD-CD2 4.39Å; K108-F196 HydrophobicContact CD-CE1 3.53Å; K108-F196 HydrophobicContact CD-CE2 4.29Å; K108-F196 HydrophobicContact CD-CG 4.08Å; K108-F196 HydrophobicContact CD-CZ 3.87Å; K108-F196 VanDerWaalsContact CE-CE2 3.4Å; K108-F196 VanDerWaalsContact CE-CZ 3.41Å; K108-F196 HydrophobicContact CG-CD1 4.39Å; K108-F196 HydrophobicContact CG-CE1 3.82Å; K108-F196 HydrophobicContact CG-CZ 4.12Å
109V97.4Very high96.8Very high3 Ų364.5 Ų64.52%0.01833%0.326CS..Hα-helixtrans-64.4-22.5-172.777.40000113.4N25 L28 R29 I32 L105 E106N25-V109 HydrophobicContact CB-CG2 3.92Å; L28-V109 HydrophobicContact CD2-CB 4.07Å; L28-V109 HydrophobicContact CD2-CG2 4.15Å; R29-V109 HydrophobicContact CG-CG1 4.01Å; R29-V109 HydrophobicContact CG-CG2 3.95Å; R29-V109 PolarHBondContact NH2-O 3.02Å; I32-V109 HydrophobicContact CD1-CG1 3.98Å; L105-V109 WeakPolarHBondContact O-CB 3.33Å; L105-V109 WeakPolarHBondContact O-CG1 3.4Å; L105-V109 PolarHBondContact O-N 3.33Å; E106-V109 PolarHBondContact O-N 3.28Å
110E95.6Very high96.9Very high101 Ų10160.7 Ų60.747%0.47231%0.306SS..Hα-helixtrans-78.3-43175.5-161.855.8-144.200112.8R29 E106 K108 D112R29-E110 IonicContact CZ-OE2 3.42Å; R29-E110 VanDerWaalsContact CZ-OE2 3.25Å; R29-E110 IonicContact NH1-OE2 2.6Å; R29-E110 PolarHBondContact NH1-OE2 3.38Å; R29-E110 IonicContact NH2-OE2 2.76Å; R29-E110 PolarHBondContact NH2-OE2 3.16Å; E106-E110 WeakPolarHBondContact O-CB 3.29Å; E106-E110 PolarHBondContact O-N 3.31Å; E106-E110 VanDerWaalsContact O-N 3.16Å; K108-E110 PolarHBondContact O-N 3.3Å; K108-E110 VanDerWaalsContact O-N 3.16Å; E110-D112 VanDerWaalsContact C-N 3.32Å
111L95.8Very high97Very high129 Ų12964 Ų6468%0.67532%0.319SS*.Hα-helixtrans-68.5-33.3173.5-66.1173.6000112.1Q107 K108 S113 R114 Y115Q107-L111 WeakPolarHBondContact O-CG 3.38Å; Q107-L111 PolarHBondContact O-N 3.33Å; K108-L111 PolarHBondContact O-N 3.33Å; L111-S113 VanDerWaalsContact C-N 3.33Å; L111-S113 PolarHBondContact O-N 3.47Å; L111-R114 PolarHBondContact O-N 3.08Å; L111-Y115 PolarHBondContact O-N 3.36Å
112D95.5Very high97Very high20 Ų2070 Ų7011%0.10735%0.345CS..Hα-helixtrans-61.4-38.2-172-136.939.9000113.7N25 K108 E110 R114 Y115 L116 R193N25-D112 PolarHBondContact ND2-OD2 2.87Å; N25-D112 PolarHBondContact OD1-OD2 2.88Å; K108-D112 WeakPolarHBondContact O-CB 3.45Å; K108-D112 PolarHBondContact O-N 3.01Å; E110-D112 VanDerWaalsContact C-N 3.32Å; D112-R114 VanDerWaalsContact C-N 3.3Å; D112-R114 PolarHBondContact O-N 3.35Å; D112-Y115 PolarHBondContact O-N 3.32Å; D112-L116 HydrophobicContact CB-CD1 4.39Å; D112-L116 WeakPolarHBondContact O-CB 3.25Å; D112-L116 WeakPolarHBondContact O-CG 3.48Å; D112-L116 PolarHBondContact O-N 2.99Å; D112-L116 VanDerWaalsContact OD2-CD1 3.23Å; D112-L116 WeakPolarHBondContact OD2-CD1 3.47Å; D112-R193 IonicContact OD1-CZ 3.45Å; D112-R193 IonicContact OD1-NE 3.4Å; D112-R193 PolarHBondContact OD1-NE 3.02Å; D112-R193 IonicContact OD1-NH2 2.72Å; D112-R193 PolarHBondContact OD1-NH2 3.19Å; D112-R193 IonicContact OD2-CZ 2.7Å; D112-R193 IonicContact OD2-NE 3.46Å; D112-R193 PolarHBondContact OD2-NE 3.41Å; D112-R193 IonicContact OD2-NH2 3.2Å; D112-R193 PolarHBondContact OD2-NH2 3.02Å
113S88.5Confident97Very high64 Ų6470.4 Ų70.445%0.44835%0.346SS..Hα-helixtrans-55.8-44.1179.8178.30000112.2L111 S117L111-S113 VanDerWaalsContact C-N 3.33Å; L111-S113 PolarHBondContact O-N 3.47Å; S113-S117 WeakPolarHBondContact O-CB 3.29Å; S113-S117 PolarHBondContact O-N 3.09Å; S113-S117 PolarHBondContact O-OG 3.22Å
114R94.3Very high97Very high199 Ų19971.1 Ų71.175%0.75135%0.347SS*.Hα-helixtrans-75.1-42.9178.5-56.9-174.6-169.1-165.13.2111.5L111 D112 A118L111-R114 PolarHBondContact O-N 3.08Å; D112-R114 VanDerWaalsContact C-N 3.3Å; D112-R114 PolarHBondContact O-N 3.35Å; R114-A118 WeakPolarHBondContact O-CB 3.42Å; R114-A118 PolarHBondContact O-N 3.09Å; R114-A118 VanDerWaalsContact O-N 3.14Å
115Y97.8Very high97Very high113 Ų11372.3 Ų72.344%0.44336%0.359SS..Hα-helixtrans-63-50.6-178.7170.7-101.3000112.5L111 D112 S117 A118 A119 E189L111-Y115 PolarHBondContact O-N 3.36Å; D112-Y115 PolarHBondContact O-N 3.32Å; Y115-S117 PolarHBondContact O-N 3.43Å; Y115-A118 PolarHBondContact O-N 3.11Å; Y115-A119 WeakPolarHBondContact O-CB 3.49Å; Y115-A119 PolarHBondContact O-N 3.49Å; Y115-E189 WeakPolarHBondContact CE1-OE2 3.48Å
116L97.9Very high97Very high0 Ų075.7 Ų75.70%037%0.374CS..Hα-helixtrans-63.7-42.5-179-72.5165.9000112.1Y17 I20 M21 D112 A118 A119 L120Y17-L116 HydrophobicContact CD1-CD2 3.81Å; Y17-L116 HydrophobicContact CE1-CD2 4.07Å; I20-L116 HydrophobicContact CB-CD1 4.24Å; I20-L116 HydrophobicContact CD1-CD2 4.36Å; I20-L116 HydrophobicContact CG2-CD1 3.42Å; I20-L116 VanDerWaalsContact CG2-CD1 3.42Å; I20-L116 HydrophobicContact CG2-CD2 4.28Å; M21-L116 HydrophobicContact CG-CB 3.76Å; M21-L116 HydrophobicContact CG-CD1 3.75Å; M21-L116 HydrophobicContact CG-CG 4.38Å; M21-L116 HydrophobicContact SD-CB 3.71Å; D112-L116 HydrophobicContact CB-CD1 4.39Å; D112-L116 WeakPolarHBondContact O-CB 3.25Å; D112-L116 WeakPolarHBondContact O-CG 3.48Å; D112-L116 PolarHBondContact O-N 2.99Å; D112-L116 VanDerWaalsContact OD2-CD1 3.23Å; D112-L116 WeakPolarHBondContact OD2-CD1 3.47Å; L116-A118 VanDerWaalsContact C-N 3.32Å; L116-A118 PolarHBondContact O-N 3.28Å; L116-A119 PolarHBondContact O-N 3.29Å; L116-L120 WeakPolarHBondContact O-CB 3.29Å; L116-L120 PolarHBondContact O-N 2.92Å
117S96.9Very high97Very high63 Ų6373 Ų7344%0.44136%0.362SS..Hα-helixtrans-58.7-43.3175.8-61.20000111.9S113 Y115 K121S113-S117 WeakPolarHBondContact O-CB 3.29Å; S113-S117 PolarHBondContact O-N 3.09Å; S113-S117 PolarHBondContact O-OG 3.22Å; Y115-S117 PolarHBondContact O-N 3.43Å; S117-K121 VanDerWaalsContact O-CB 3.3Å; S117-K121 WeakPolarHBondContact O-CB 3.4Å; S117-K121 PolarHBondContact O-N 3.44Å; S117-K121 VanDerWaalsContact O-N 3.14Å
118A98.3Very high97Very high63 Ų6375 Ų7552%0.52136%0.364SS..Hα-helixtrans-69.6-42177.100000112.5R114 Y115 L116 K121 K122R114-A118 WeakPolarHBondContact O-CB 3.42Å; R114-A118 PolarHBondContact O-N 3.09Å; R114-A118 VanDerWaalsContact O-N 3.14Å; Y115-A118 PolarHBondContact O-N 3.11Å; L116-A118 VanDerWaalsContact C-N 3.32Å; L116-A118 PolarHBondContact O-N 3.28Å; A118-K121 PolarHBondContact O-N 3.14Å; A118-K122 WeakPolarHBondContact O-CB 3.43Å; A118-K122 PolarHBondContact O-N 2.82Å
119A98.3Very high97.1Very high23 Ų2373.7 Ų73.719%0.1937%0.368CS..Hα-helixtrans-63.3-47.7178.800000112.1Y17 Y115 L116 K122 Y123Y17-A119 HydrophobicContact CE1-CB 4.06Å; Y115-A119 WeakPolarHBondContact O-CB 3.49Å; Y115-A119 PolarHBondContact O-N 3.49Å; L116-A119 PolarHBondContact O-N 3.29Å; A119-K122 PolarHBondContact O-N 2.87Å; A119-Y123 PolarHBondContact O-N 2.58Å
120L98.3Very high97.1Very high16 Ų1676 Ų768%0.08438%0.378CS..Hα-helixtrans-61.4-47.4176.2175.660.1000111.2E14 Y17 M21 L116 K122 Y123 Q124E14-L120 HydrophobicContact CG-CD1 4.36Å; Y17-L120 HydrophobicContact CD1-CB 4.33Å; Y17-L120 HydrophobicContact CD2-CB 4.37Å; Y17-L120 HydrophobicContact CD2-CD1 3.84Å; Y17-L120 HydrophobicContact CG-CB 4.06Å; Y17-L120 HydrophobicContact CG-CD1 4.11Å; M21-L120 HydrophobicContact CE-CD2 3.78Å; L116-L120 WeakPolarHBondContact O-CB 3.29Å; L116-L120 PolarHBondContact O-N 2.92Å; L120-K122 VanDerWaalsContact C-N 3.31Å; L120-K122 PolarHBondContact O-N 3.11Å; L120-Y123 PolarHBondContact O-N 3.43Å; L120-Q124 HydrophobicContact CD1-CG 4.02Å; L120-Q124 HydrophobicContact CG-CG 4.41Å; L120-Q124 WeakPolarHBondContact O-CG 3.36Å; L120-Q124 PolarHBondContact O-N 2.96Å
121K98.5Very high97.2Very high145 Ų14571.9 Ų71.963%0.6336%0.363SS*.Hα-helixtrans-61.8-39.3179.3-175.2176-179.1178.90112.1S117 A118 T125S117-K121 VanDerWaalsContact O-CB 3.3Å; S117-K121 WeakPolarHBondContact O-CB 3.4Å; S117-K121 PolarHBondContact O-N 3.44Å; S117-K121 VanDerWaalsContact O-N 3.14Å; A118-K121 PolarHBondContact O-N 3.14Å; K121-T125 WeakPolarHBondContact O-CB 3.3Å; K121-T125 PolarHBondContact O-N 3.46Å; K121-T125 VanDerWaalsContact O-N 3.07Å; K121-T125 PolarHBondContact O-OG1 3.37Å
122K98.4Very high97.3Very high128 Ų12870.4 Ų70.456%0.55736%0.356SS*.Hα-helixtrans-61.1-51.8174.3-177.9-176.8175.3-175.30110.6A118 A119 L120 Q124 T125 E126A118-K122 WeakPolarHBondContact O-CB 3.43Å; A118-K122 PolarHBondContact O-N 2.82Å; A119-K122 PolarHBondContact O-N 2.87Å; L120-K122 VanDerWaalsContact C-N 3.31Å; L120-K122 PolarHBondContact O-N 3.11Å; K122-Q124 PolarHBondContact O-N 3.02Å; K122-T125 PolarHBondContact O-N 2.83Å; K122-E126 WeakPolarHBondContact CE-OE1 3.27Å; K122-E126 WeakPolarHBondContact CG-OE1 3.48Å; K122-E126 IonicContact NZ-OE1 2.66Å; K122-E126 PolarHBondContact O-N 3.02Å
123Y98.6Very high97.4Very high8 Ų871.2 Ų71.23%0.03137%0.365CS..Hα-helixtrans-55.2-49.6178170.5-105.2000112.5H10 T13 A119 L120 T125 E126 Q127 Y178H10-Y123 WeakPolarHBondContact CA-OH 3.27Å; H10-Y123 AromaticContact CE1-CE1 3.76Å; H10-Y123 AromaticContact ND1-CE1 3.35Å; H10-Y123 WeakPolarHBondContact ND1-CE1 3.47Å; H10-Y123 AromaticContact ND1-CZ 3.52Å; H10-Y123 PolarHBondContact ND1-OH 2.79Å; T13-Y123 HydrophobicContact CG2-CD1 3.97Å; T13-Y123 HydrophobicContact CG2-CD2 4.44Å; T13-Y123 HydrophobicContact CG2-CE1 3.51Å; T13-Y123 HydrophobicContact CG2-CE2 4.03Å; T13-Y123 HydrophobicContact CG2-CG 4.41Å; A119-Y123 PolarHBondContact O-N 2.58Å; L120-Y123 PolarHBondContact O-N 3.43Å; Y123-T125 VanDerWaalsContact C-N 3.33Å; Y123-T125 PolarHBondContact O-N 3.28Å; Y123-E126 PolarHBondContact O-N 3.04Å; Y123-Q127 VanDerWaalsContact O-CB 3.24Å; Y123-Q127 WeakPolarHBondContact O-CB 3.42Å; Y123-Q127 PolarHBondContact O-N 2.99Å; Y123-Y178 AromaticContact CD2-CE1 3.65Å; Y123-Y178 HydrophobicContact CD2-CE1 3.65Å; Y123-Y178 HydrophobicContact CE2-CD1 4.3Å; Y123-Y178 AromaticContact CE2-CE1 3.79Å; Y123-Y178 HydrophobicContact CE2-CE1 3.79Å
124Q98.4Very high97.8Very high54 Ų5468.3 Ų68.325%0.25234%0.344SS..Hα-helixtrans-60.2-39.6178-72.5172.6-3400112.9E14 L120 K122 R128E14-Q124 WeakPolarHBondContact OE1-CG 3.28Å; E14-Q124 PolarHBondContact OE1-NE2 2.87Å; L120-Q124 HydrophobicContact CD1-CG 4.02Å; L120-Q124 HydrophobicContact CG-CG 4.41Å; L120-Q124 WeakPolarHBondContact O-CG 3.36Å; L120-Q124 PolarHBondContact O-N 2.96Å; K122-Q124 PolarHBondContact O-N 3.02Å; Q124-R128 VanDerWaalsContact O-CB 3.27Å; Q124-R128 WeakPolarHBondContact O-CB 3.2Å; Q124-R128 PolarHBondContact O-N 3.21Å; Q124-R128 VanDerWaalsContact O-N 3.09Å
125T98.5Very high97.9Very high86 Ų8663.5 Ų63.553%0.52833%0.333SS..Hα-helixtrans-70.5-44.8-177.5-55.60000111.1K121 K122 Y123 S129K121-T125 WeakPolarHBondContact O-CB 3.3Å; K121-T125 PolarHBondContact O-N 3.46Å; K121-T125 VanDerWaalsContact O-N 3.07Å; K121-T125 PolarHBondContact O-OG1 3.37Å; K122-T125 PolarHBondContact O-N 2.83Å; Y123-T125 VanDerWaalsContact C-N 3.33Å; Y123-T125 PolarHBondContact O-N 3.28Å; T125-S129 WeakPolarHBondContact O-CB 3.36Å; T125-S129 PolarHBondContact O-N 3.33Å
126E98.2Very high97.9Very high73 Ų7365.4 Ų65.434%0.34134%0.344SS..Hα-helixtrans-71.7-39.4178.5-75.9172.7-159.700112.6K122 Y123 S129 K130 Y178K122-E126 WeakPolarHBondContact CE-OE1 3.27Å; K122-E126 WeakPolarHBondContact CG-OE1 3.48Å; K122-E126 IonicContact NZ-OE1 2.66Å; K122-E126 PolarHBondContact O-N 3.02Å; Y123-E126 PolarHBondContact O-N 3.04Å; E126-S129 PolarHBondContact O-N 3.35Å; E126-K130 PolarHBondContact O-N 3.37Å; E126-Y178 HydrophobicContact CB-CE1 3.98Å; E126-Y178 HydrophobicContact CB-CE2 4.1Å; E126-Y178 WeakPolarHBondContact CB-OH 3.35Å; E126-Y178 WeakPolarHBondContact OE2-CE2 3.12Å; E126-Y178 VanDerWaalsContact OE2-CZ 3.28Å; E126-Y178 PolarHBondContact OE2-OH 3.17Å
127Q98Very high97.8Very high19 Ų1966 Ų669%0.08935%0.348CS..Hα-helixtrans-60.4-48174.3-174.6-83.7-10.400110.7Y123 S129 K130 G131 L175 Y178 V179Y123-Q127 VanDerWaalsContact O-CB 3.24Å; Y123-Q127 WeakPolarHBondContact O-CB 3.42Å; Y123-Q127 PolarHBondContact O-N 2.99Å; Q127-S129 PolarHBondContact O-N 3Å; Q127-K130 PolarHBondContact O-N 2.98Å; Q127-G131 PolarHBondContact O-N 2.92Å; Q127-L175 HydrophobicContact CG-CD1 4.3Å; Q127-Y178 HydrophobicContact CB-CD1 4.22Å; Q127-Y178 HydrophobicContact CB-CE1 3.97Å; Q127-V179 HydrophobicContact CG-CG2 3.93Å
128R97.6Very high97.8Very high164 Ų16466.2 Ų66.262%0.61934%0.342SS*.Hα-helixtrans-61.2-46.4177-172.4-175.7-56.7177.92.5111.6Q124 K130 G131 D132Q124-R128 VanDerWaalsContact O-CB 3.27Å; Q124-R128 WeakPolarHBondContact O-CB 3.2Å; Q124-R128 PolarHBondContact O-N 3.21Å; Q124-R128 VanDerWaalsContact O-N 3.09Å; R128-K130 VanDerWaalsContact C-N 3.3Å; R128-K130 PolarHBondContact O-N 3.02Å; R128-G131 WeakPolarHBondContact O-CA 3.42Å; R128-G131 PolarHBondContact O-N 3.42Å; R128-G131 VanDerWaalsContact O-N 3.09Å; R128-D132 VanDerWaalsContact O-CG 3.3Å; R128-D132 PolarHBondContact O-N 3.49Å
129S98.3Very high97.7Very high76 Ų7665.2 Ų65.253%0.53133%0.334SS..Hα-helixtrans-59.2-39.2179.2-176.60000112.7T125 E126 Q127 A133T125-S129 WeakPolarHBondContact O-CB 3.36Å; T125-S129 PolarHBondContact O-N 3.33Å; E126-S129 PolarHBondContact O-N 3.35Å; Q127-S129 PolarHBondContact O-N 3Å; S129-A133 VanDerWaalsContact O-CB 3.3Å; S129-A133 WeakPolarHBondContact O-CB 3.49Å; S129-A133 PolarHBondContact O-N 3.44Å; S129-A133 VanDerWaalsContact O-N 3.11Å
130K97.6Very high97.6Very high52 Ų5267.1 Ų67.123%0.22634%0.339CS..Hα-helixtrans-68-41.1173.4-77.4171.6168.3-78.80112.2E126 Q127 R128 A133 L134 E174 L175 Y178E126-K130 PolarHBondContact O-N 3.37Å; Q127-K130 PolarHBondContact O-N 2.98Å; R128-K130 VanDerWaalsContact C-N 3.3Å; R128-K130 PolarHBondContact O-N 3.02Å; K130-A133 PolarHBondContact O-N 3.01Å; K130-L134 PolarHBondContact O-N 2.8Å; K130-L134 VanDerWaalsContact O-N 3.08Å; K130-E174 PolarHBondContact NZ-O 3.36Å; K130-E174 VanDerWaalsContact NZ-O 3.14Å; K130-E174 IonicContact NZ-OE2 3.13Å; K130-E174 PolarHBondContact NZ-OE2 2.95Å; K130-E174 VanDerWaalsContact NZ-OE2 3.13Å; K130-L175 HydrophobicContact CB-CB 4.43Å; K130-L175 HydrophobicContact CB-CD1 3.85Å; K130-Y178 HydrophobicContact CD-CD1 4.14Å; K130-Y178 HydrophobicContact CD-CD2 4.16Å; K130-Y178 HydrophobicContact CD-CG 3.71Å
131G97.1Very high97.5Very high15 Ų1567 Ų6716%0.15534%0.338CS..Hα-helixtrans-58.7-54.817300000112.6Q127 R128 A133 L134 D135Q127-G131 PolarHBondContact O-N 2.92Å; R128-G131 WeakPolarHBondContact O-CA 3.42Å; R128-G131 PolarHBondContact O-N 3.42Å; R128-G131 VanDerWaalsContact O-N 3.09Å; G131-A133 PolarHBondContact O-N 3.16Å; G131-L134 WeakPolarHBondContact O-CB 3.27Å; G131-L134 PolarHBondContact O-N 2.96Å; G131-D135 PolarHBondContact O-N 2.95Å
132D97.8Very high97.4Very high98 Ų9868 Ų6852%0.52434%0.343SS..Hα-helixtrans-55.8-39.1177.7-66.2-27.3000111.9R128 K136R128-D132 VanDerWaalsContact O-CG 3.3Å; R128-D132 PolarHBondContact O-N 3.49Å; D132-K136 WeakPolarHBondContact O-CB 3.25Å; D132-K136 PolarHBondContact O-N 3.29Å
133A97.4Very high97.2Very high37 Ų3767.1 Ų67.131%0.30634%0.338SS..Hα-helixtrans-69.6-31.8178.500000113.4S129 K130 G131 C137 K171S129-A133 VanDerWaalsContact O-CB 3.3Å; S129-A133 WeakPolarHBondContact O-CB 3.49Å; S129-A133 PolarHBondContact O-N 3.44Å; S129-A133 VanDerWaalsContact O-N 3.11Å; K130-A133 PolarHBondContact O-N 3.01Å; G131-A133 PolarHBondContact O-N 3.16Å; A133-C137 PolarHBondContact O-N 2.73Å; A133-K171 WeakPolarHBondContact O-CD 3.49Å; A133-K171 PolarHBondContact O-NZ 3.44Å
134L97.1Very high96.9Very high2 Ų267.6 Ų67.61%0.0134%0.341CS..Hα-helixtrans-72.9-52.1173.6175.660.9000110.6L3 K130 G131 K136 C137 Q138 I168 K171 Q172 L175L3-L134 HydrophobicContact CD2-CD2 4.25Å; K130-L134 PolarHBondContact O-N 2.8Å; K130-L134 VanDerWaalsContact O-N 3.08Å; G131-L134 WeakPolarHBondContact O-CB 3.27Å; G131-L134 PolarHBondContact O-N 2.96Å; L134-K136 VanDerWaalsContact C-N 3.33Å; L134-K136 PolarHBondContact O-N 3.46Å; L134-C137 WeakPolarHBondContact O-CA 3.49Å; L134-C137 VanDerWaalsContact O-CB 3.24Å; L134-C137 WeakPolarHBondContact O-CB 3.49Å; L134-C137 PolarHBondContact O-N 2.69Å; L134-Q138 HydrophobicContact CD1-CG 4.37Å; L134-Q138 WeakPolarHBondContact O-CG 3.48Å; L134-Q138 PolarHBondContact O-N 3.31Å; L134-I168 HydrophobicContact CD1-CG2 3.99Å; L134-K171 HydrophobicContact CB-CB 4.35Å; L134-K171 HydrophobicContact CD1-CB 3.92Å; L134-Q172 HydrophobicContact CD1-CB 4.1Å; L134-Q172 HydrophobicContact CD2-CB 4.19Å; L134-Q172 HydrophobicContact CD2-CG 4.36Å; L134-L175 HydrophobicContact CD2-CD2 3.85Å
135D96.7Very high96.6Very high98 Ų9870.6 Ų70.652%0.52435%0.35SS..Hα-helixtrans-59.5-42-179.8-79.2-7.5000112G131 C137 Q138 A139G131-D135 PolarHBondContact O-N 2.95Å; D135-C137 VanDerWaalsContact C-N 3.26Å; D135-C137 PolarHBondContact O-N 2.82Å; D135-Q138 PolarHBondContact O-N 3.49Å; D135-A139 WeakPolarHBondContact O-CB 3.42Å; D135-A139 PolarHBondContact O-N 2.89Å
136K97.8Very high96.2Very high154 Ų15475 Ų7567%0.6736%0.363SS*.Hα-helixtrans-58.5-38.3172.2-175.9175-178.71770112.1D132 L134 E140D132-K136 WeakPolarHBondContact O-CB 3.25Å; D132-K136 PolarHBondContact O-N 3.29Å; L134-K136 VanDerWaalsContact C-N 3.33Å; L134-K136 PolarHBondContact O-N 3.46Å; K136-E140 PolarHBondContact O-N 3.04Å; K136-E140 VanDerWaalsContact O-N 3.12Å
137C96.4Very high95.7Very high12 Ų1278.3 Ų78.38%0.08138%0.376CS..Hα-helixtrans-70.2-43.5178.3-130.70000111.6A133 L134 D135 A139 E140 L141 I168 K171A133-C137 PolarHBondContact O-N 2.73Å; L134-C137 WeakPolarHBondContact O-CA 3.49Å; L134-C137 VanDerWaalsContact O-CB 3.24Å; L134-C137 WeakPolarHBondContact O-CB 3.49Å; L134-C137 PolarHBondContact O-N 2.69Å; D135-C137 VanDerWaalsContact C-N 3.26Å; D135-C137 PolarHBondContact O-N 2.82Å; C137-A139 VanDerWaalsContact C-N 3.34Å; C137-A139 PolarHBondContact O-N 3.46Å; C137-E140 PolarHBondContact O-N 3.4Å; C137-L141 PolarHBondContact O-N 2.9Å; C137-I168 HydrophobicContact CB-CG1 3.86Å; C137-K171 HydrophobicContact CB-CD 4.03Å; C137-K171 PolarHBondContact SG-NZ 3.02Å
138Q96.6Very high95.1Very high68 Ų6878.8 Ų78.832%0.31838%0.381SS..Hα-helixtrans-62.6-40174.2-64.5-176.617.300112.1L134 D135 L141 K142 I168L134-Q138 HydrophobicContact CD1-CG 4.37Å; L134-Q138 WeakPolarHBondContact O-CG 3.48Å; L134-Q138 PolarHBondContact O-N 3.31Å; D135-Q138 PolarHBondContact O-N 3.49Å; Q138-L141 PolarHBondContact O-N 2.72Å; Q138-K142 WeakPolarHBondContact O-CB 3.5Å; Q138-K142 PolarHBondContact O-N 2.87Å; Q138-I168 HydrophobicContact CB-CD1 4.43Å; Q138-I168 HydrophobicContact CG-CD1 4.05Å; Q138-I168 HydrophobicContact CG-CG1 4.09Å; Q138-I168 HydrophobicContact CG-CG2 4.13Å
139A97.3Very high94.3Very high41 Ų4179 Ų7934%0.33939%0.389SS..Hα-helixtrans-63.6-41.6176.600000112.3D135 C137 K142 K143D135-A139 WeakPolarHBondContact O-CB 3.42Å; D135-A139 PolarHBondContact O-N 2.89Å; C137-A139 VanDerWaalsContact C-N 3.34Å; C137-A139 PolarHBondContact O-N 3.46Å; A139-K142 PolarHBondContact O-N 3.33Å; A139-K143 VanDerWaalsContact O-CG 3.31Å; A139-K143 WeakPolarHBondContact O-CG 3.44Å; A139-K143 PolarHBondContact O-N 2.89Å
140E96.1Very high93.1Very high64 Ų6479.5 Ų79.530%0.29941%0.406SS..Hα-helixtrans-68.1-38.9175.1-69.4-50.9130.500112.8K136 C137 K142 K143 L144 Y164K136-E140 PolarHBondContact O-N 3.04Å; K136-E140 VanDerWaalsContact O-N 3.12Å; C137-E140 PolarHBondContact O-N 3.4Å; E140-K142 VanDerWaalsContact C-N 3.33Å; E140-K142 PolarHBondContact O-N 2.96Å; E140-K143 PolarHBondContact O-N 3.15Å; E140-K143 WeakPolarHBondContact OE1-CD 3.44Å; E140-K143 WeakPolarHBondContact OE1-CE 3.27Å; E140-K143 IonicContact OE1-NZ 2.69Å; E140-K143 PolarHBondContact OE1-NZ 3.37Å; E140-L144 WeakPolarHBondContact O-CB 3.49Å; E140-L144 PolarHBondContact O-N 3.22Å; E140-Y164 HydrophobicContact CB-CD1 4.45Å; E140-Y164 HydrophobicContact CB-CE1 3.77Å
141L96Very high92.3Very high13 Ų1378.5 Ų78.57%0.06841%0.406CS..Hα-helixtrans-60.3-43.3171.1178.556.6000111.6C137 Q138 K143 L144 R145 E161 Y164 I165 I168C137-L141 PolarHBondContact O-N 2.9Å; Q138-L141 PolarHBondContact O-N 2.72Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 3.08Å; L141-L144 PolarHBondContact O-N 3.41Å; L141-R145 HydrophobicContact CD1-CG 4.27Å; L141-R145 PolarHBondContact O-N 3.41Å; L141-E161 HydrophobicContact CD1-CB 4.13Å; L141-E161 HydrophobicContact CD1-CG 3.97Å; L141-Y164 HydrophobicContact CB-CG 4.43Å; L141-I165 HydrophobicContact CD2-CG1 3.87Å; L141-I168 HydrophobicContact CB-CD1 3.86Å; L141-I168 HydrophobicContact CD2-CD1 3.52Å; L141-I168 HydrophobicContact CG-CD1 4.33Å
142K95.6Very high91.4Very high167 Ų16788 Ų8873%0.72644%0.443SS*.Hα-helixtrans-63.6-38.6177.5-168.2175.8-177.1176.20111.8Q138 A139 E140 K146Q138-K142 WeakPolarHBondContact O-CB 3.5Å; Q138-K142 PolarHBondContact O-N 2.87Å; A139-K142 PolarHBondContact O-N 3.33Å; E140-K142 VanDerWaalsContact C-N 3.33Å; E140-K142 PolarHBondContact O-N 2.96Å; K142-K146 PolarHBondContact O-N 3.36Å
143K94.8Very high90.2Very high108 Ų10887.8 Ų87.847%0.4744%0.441SS..Hα-helixtrans-66-41.3171.9-72.2170.2-170.8173.20111.9A139 E140 L141 K146 K147A139-K143 VanDerWaalsContact O-CG 3.31Å; A139-K143 WeakPolarHBondContact O-CG 3.44Å; A139-K143 PolarHBondContact O-N 2.89Å; E140-K143 PolarHBondContact O-N 3.15Å; E140-K143 WeakPolarHBondContact OE1-CD 3.44Å; E140-K143 WeakPolarHBondContact OE1-CE 3.27Å; E140-K143 IonicContact OE1-NZ 2.69Å; E140-K143 PolarHBondContact OE1-NZ 3.37Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 3.08Å; K143-K146 PolarHBondContact O-N 2.88Å; K143-K147 WeakPolarHBondContact O-CG 3.34Å; K143-K147 PolarHBondContact O-N 2.8Å
144L92.2Very high89.1Confident18 Ų1890 Ų909%0.09445%0.453CS..Hα-helixtrans-63.2-48.4178.6-177.563.4000111.2E140 L141 K146 K147 S148 Y157 K160 E161 Y164E140-L144 WeakPolarHBondContact O-CB 3.49Å; E140-L144 PolarHBondContact O-N 3.22Å; L141-L144 PolarHBondContact O-N 3.41Å; L144-K146 VanDerWaalsContact C-N 3.26Å; L144-K146 PolarHBondContact O-N 3.35Å; L144-K147 CarbonylContact O-C 3.53Å; L144-K147 WeakPolarHBondContact O-CA 3.42Å; L144-K147 WeakPolarHBondContact O-CB 3.5Å; L144-K147 PolarHBondContact O-N 3.41Å; L144-S148 PolarHBondContact O-N 2.94Å; L144-S148 PolarHBondContact O-OG 3.08Å; L144-Y157 HydrophobicContact CD1-CD1 3.7Å; L144-Y157 HydrophobicContact CD1-CE1 4.13Å; L144-K160 HydrophobicContact CD1-CD 4.37Å; L144-K160 HydrophobicContact CD2-CB 3.93Å; L144-K160 HydrophobicContact CD2-CD 4.29Å; L144-K160 HydrophobicContact CD2-CG 3.84Å; L144-E161 HydrophobicContact CD2-CB 4.28Å; L144-E161 HydrophobicContact CD2-CG 3.51Å; L144-E161 HydrophobicContact CG-CG 3.9Å; L144-Y164 HydrophobicContact CD2-CD2 3.62Å; L144-Y164 HydrophobicContact CD2-CE2 3.84Å
145R91Very high88.1Confident117 Ų11796.5 Ų96.544%0.44248%0.483SS..Hα-helixtrans-58.2-34.2175.7-79.2175.3173.2170.30.1113.8L141 K147 S148 Q149 E161L141-R145 HydrophobicContact CD1-CG 4.27Å; L141-R145 PolarHBondContact O-N 3.41Å; R145-K147 VanDerWaalsContact C-N 3.31Å; R145-S148 WeakPolarHBondContact CA-OG 3.44Å; R145-S148 PolarHBondContact O-OG 3.03Å; R145-S148 VanDerWaalsContact O-OG 3.13Å; R145-Q149 WeakPolarHBondContact O-CG 3.38Å; R145-E161 VanDerWaalsContact CG-CD 3.41Å; R145-E161 HydrophobicContact CG-CG 4.31Å; R145-E161 WeakPolarHBondContact CG-OE1 3.36Å; R145-E161 WeakPolarHBondContact CG-OE2 3.39Å; R145-E161 IonicContact CZ-OE2 3.96Å; R145-E161 IonicContact NE-OE2 3.01Å; R145-E161 PolarHBondContact NE-OE2 3.36Å
146K90.8Very high87.3Confident180 Ų18099 Ų9978%0.78349%0.489SS*.Hα-helixtrans-74.2-21.3174.1-166.6166.8-177.4176.50113.1K142 K143 L144K142-K146 PolarHBondContact O-N 3.36Å; K143-K146 PolarHBondContact O-N 2.88Å; L144-K146 VanDerWaalsContact C-N 3.26Å; L144-K146 PolarHBondContact O-N 3.35Å
147K87.8Confident86.7Confident142 Ų14295.1 Ų95.162%0.61747%0.471SS*.Hα-helixtrans-92.6-20.2175.6-69.1173.8179.7-178.70113.6K143 L144 R145 Y157K143-K147 WeakPolarHBondContact O-CG 3.34Å; K143-K147 PolarHBondContact O-N 2.8Å; L144-K147 CarbonylContact O-C 3.53Å; L144-K147 WeakPolarHBondContact O-CA 3.42Å; L144-K147 WeakPolarHBondContact O-CB 3.5Å; L144-K147 PolarHBondContact O-N 3.41Å; R145-K147 VanDerWaalsContact C-N 3.31Å; K147-Y157 HydrophobicContact CB-CE1 4.32Å
148S85.6Confident86.2Confident29 Ų2998.2 Ų98.220%0.20349%0.493CS..Hα-helixtrans-80.1-29.7177.155.40000112.6L144 R145 G150 S151 E161L144-S148 PolarHBondContact O-N 2.94Å; L144-S148 PolarHBondContact O-OG 3.08Å; R145-S148 WeakPolarHBondContact CA-OG 3.44Å; R145-S148 PolarHBondContact O-OG 3.03Å; R145-S148 VanDerWaalsContact O-OG 3.13Å; S148-G150 PolarHBondContact O-N 3.08Å; S148-G150 VanDerWaalsContact O-N 3.12Å; S148-S151 VanDerWaalsContact O-CB 3.28Å; S148-S151 WeakPolarHBondContact O-CB 3.22Å; S148-S151 PolarHBondContact O-N 3.28Å; S148-E161 PolarHBondContact OG-OE1 3.09Å
149Q80.1Confident85.8Confident169 Ų16999.8 Ų99.879%0.7950%0.503SS*.THydrogen-bonded Turntrans-53.4111.5169.8-71.7-87.6-32.500111.3R145R145-Q149 WeakPolarHBondContact O-CG 3.38Å
150G73.5Confident85.5Confident85 Ų85102.6 Ų102.688%0.87651%0.508SS*.THydrogen-bonded Turntrans87.95.7-178.900000115.9S148S148-G150 PolarHBondContact O-N 3.08Å; S148-G150 VanDerWaalsContact O-N 3.12Å
151S80.4Confident85.4Confident32 Ų32101.2 Ų101.222%0.22450%0.501CS..  trans-69.6136.7177.1178.20000112.9S148 N153 Y157S148-S151 VanDerWaalsContact O-CB 3.28Å; S148-S151 WeakPolarHBondContact O-CB 3.22Å; S148-S151 PolarHBondContact O-N 3.28Å; S151-N153 PolarHBondContact O-N 3.39Å; S151-N153 PolarHBondContact OG-N 3.45Å; S151-Y157 WeakPolarHBondContact OG-CE2 3.41Å
152K77.9Confident85.3Confident214 Ų214106.1 Ų106.193%0.9353%0.527SS*.SBendtrans-73.6-4.2172.6-67.3-173.1177.7-176.70114.3
153N73.5Confident85.2Confident93 Ų93104.5 Ų104.550%0.49752%0.522SS..  trans-136.877.2-174.4-161.8-17000111.4S151 Y157S151-N153 PolarHBondContact O-N 3.39Å; S151-N153 PolarHBondContact OG-N 3.45Å; N153-Y157 WeakPolarHBondContact O-CD2 3.45Å
154P73.4Confident85.3Confident84 Ų84102.1 Ų102.155%0.54551%0.51SS..Hα-helixtrans-66.7-43.5-166.9-23.736.1000114.9K156 Y157 S158P154-K156 VanDerWaalsContact C-N 3.31Å; P154-K156 PolarHBondContact O-N 2.89Å; P154-Y157 PolarHBondContact O-N 3.3Å; P154-S158 PolarHBondContact O-N 3.49Å; P154-S158 VanDerWaalsContact O-N 3.11Å
155Q77.5Confident85.5Confident139 Ų139104.7 Ų104.765%0.6552%0.524SS*.Hα-helixtrans-49.8-48.9-179.3-92.479-7.900112.5Y157 S158 D159Q155-Y157 PolarHBondContact O-N 3.3Å; Q155-Y157 VanDerWaalsContact O-N 3.13Å; Q155-S158 WeakPolarHBondContact O-CA 3.26Å; Q155-S158 VanDerWaalsContact O-CB 3.31Å; Q155-S158 WeakPolarHBondContact O-CB 3.42Å; Q155-S158 PolarHBondContact O-N 2.98Å; Q155-D159 PolarHBondContact O-N 2.93Å; Q155-D159 VanDerWaalsContact O-N 3.11Å
156K78.9Confident85.7Confident149 Ų149104.5 Ų104.565%0.64853%0.531SS*.Hα-helixtrans-62.1-25.6-176.7-173.3173.2-178.4175.30113.9P154P154-K156 VanDerWaalsContact C-N 3.31Å; P154-K156 PolarHBondContact O-N 2.89Å
157Y84.6Confident86Confident73 Ų7397.6 Ų97.629%0.28651%0.508SS..Hα-helixtrans-83.9-34.4173-73.2-101.1000111.2L144 K147 S151 N153 P154 Q155 K160 E161L144-Y157 HydrophobicContact CD1-CD1 3.7Å; L144-Y157 HydrophobicContact CD1-CE1 4.13Å; K147-Y157 HydrophobicContact CB-CE1 4.32Å; S151-Y157 WeakPolarHBondContact OG-CE2 3.41Å; N153-Y157 WeakPolarHBondContact O-CD2 3.45Å; P154-Y157 PolarHBondContact O-N 3.3Å; Q155-Y157 PolarHBondContact O-N 3.3Å; Q155-Y157 VanDerWaalsContact O-N 3.13Å; Y157-K160 PolarHBondContact O-N 3.44Å; Y157-E161 WeakPolarHBondContact O-CB 3.43Å; Y157-E161 WeakPolarHBondContact O-CG 3.14Å; Y157-E161 PolarHBondContact O-N 3.28Å
158S86.6Confident86.4Confident77 Ų7791.9 Ų91.954%0.53848%0.484SS..Hα-helixtrans-60.1-48.5177.2-167.50000112.4P154 Q155 K160 E161 L162P154-S158 PolarHBondContact O-N 3.49Å; P154-S158 VanDerWaalsContact O-N 3.11Å; Q155-S158 WeakPolarHBondContact O-CA 3.26Å; Q155-S158 VanDerWaalsContact O-CB 3.31Å; Q155-S158 WeakPolarHBondContact O-CB 3.42Å; Q155-S158 PolarHBondContact O-N 2.98Å; S158-K160 VanDerWaalsContact C-N 3.27Å; S158-K160 PolarHBondContact O-N 3.26Å; S158-E161 PolarHBondContact O-N 2.96Å; S158-L162 PolarHBondContact O-N 3.06Å
159D88.8Confident87Confident101 Ų10194.2 Ų94.254%0.5450%0.5SS..Hα-helixtrans-58.4-41.2177.8-59.8-34.5000111.8Q155 L162 Q163Q155-D159 PolarHBondContact O-N 2.93Å; Q155-D159 VanDerWaalsContact O-N 3.11Å; D159-L162 PolarHBondContact O-N 2.89Å; D159-Q163 WeakPolarHBondContact O-CG 3.5Å; D159-Q163 PolarHBondContact O-N 3.45Å; D159-Q163 VanDerWaalsContact O-N 3.07Å
160K91Very high87.8Confident101 Ų10190.6 Ų90.644%0.43949%0.486SS..Hα-helixtrans-75.3-33.8-179.5-163.7173.5-174.9169.80112.3L144 Y157 S158 L162 Y164L144-K160 HydrophobicContact CD1-CD 4.37Å; L144-K160 HydrophobicContact CD2-CB 3.93Å; L144-K160 HydrophobicContact CD2-CD 4.29Å; L144-K160 HydrophobicContact CD2-CG 3.84Å; Y157-K160 PolarHBondContact O-N 3.44Å; S158-K160 VanDerWaalsContact C-N 3.27Å; S158-K160 PolarHBondContact O-N 3.26Å; K160-L162 VanDerWaalsContact C-N 3.35Å; K160-Y164 HydrophobicContact CD-CE2 4.43Å; K160-Y164 HydrophobicContact CG-CD2 4.28Å; K160-Y164 HydrophobicContact CG-CE2 4.02Å; K160-Y164 WeakPolarHBondContact O-CD2 3.29Å; K160-Y164 PolarHBondContact O-N 3.5Å
161E92.7Very high88.9Confident34 Ų3489.5 Ų89.516%0.15946%0.457CS..Hα-helixtrans-64.4-40.9170.5-77.2-168.5-149.100110.8L141 L144 R145 S148 Y157 S158 Y164 I165L141-E161 HydrophobicContact CD1-CB 4.13Å; L141-E161 HydrophobicContact CD1-CG 3.97Å; L144-E161 HydrophobicContact CD2-CB 4.28Å; L144-E161 HydrophobicContact CD2-CG 3.51Å; L144-E161 HydrophobicContact CG-CG 3.9Å; R145-E161 VanDerWaalsContact CG-CD 3.41Å; R145-E161 HydrophobicContact CG-CG 4.31Å; R145-E161 WeakPolarHBondContact CG-OE1 3.36Å; R145-E161 WeakPolarHBondContact CG-OE2 3.39Å; R145-E161 IonicContact CZ-OE2 3.96Å; R145-E161 IonicContact NE-OE2 3.01Å; R145-E161 PolarHBondContact NE-OE2 3.36Å; S148-E161 PolarHBondContact OG-OE1 3.09Å; Y157-E161 WeakPolarHBondContact O-CB 3.43Å; Y157-E161 WeakPolarHBondContact O-CG 3.14Å; Y157-E161 PolarHBondContact O-N 3.28Å; S158-E161 PolarHBondContact O-N 2.96Å; E161-Y164 PolarHBondContact O-N 3.41Å; E161-I165 VanDerWaalsContact O-CG1 3.27Å; E161-I165 WeakPolarHBondContact O-CG1 3.3Å; E161-I165 PolarHBondContact O-N 3.02Å
162L93.9Very high89.7Confident116 Ų11690.4 Ų90.461%0.60746%0.458SS*.Hα-helixtrans-61.6-45.7176.2-172.764.2000112S158 D159 K160 Y164 I165 D166S158-L162 PolarHBondContact O-N 3.06Å; D159-L162 PolarHBondContact O-N 2.89Å; K160-L162 VanDerWaalsContact C-N 3.35Å; L162-Y164 VanDerWaalsContact C-N 3.31Å; L162-Y164 PolarHBondContact O-N 3.15Å; L162-I165 PolarHBondContact O-N 2.74Å; L162-I165 VanDerWaalsContact O-N 3.15Å; L162-D166 PolarHBondContact O-N 2.69Å
163Q94.4Very high90.5Very high133 Ų13381.4 Ų81.462%0.62143%0.426SS*.Hα-helixtrans-57.3-40.7174-73.7175.8300112.8D159 A167D159-Q163 WeakPolarHBondContact O-CG 3.5Å; D159-Q163 PolarHBondContact O-N 3.45Å; D159-Q163 VanDerWaalsContact O-N 3.07Å; Q163-A167 VanDerWaalsContact O-CB 3.31Å; Q163-A167 WeakPolarHBondContact O-CB 3.31Å; Q163-A167 PolarHBondContact O-N 2.63Å
164Y95.9Very high91.7Very high58 Ų5881.1 Ų81.123%0.22742%0.422CS..Hα-helixtrans-71.4-35176.2-81.5-63.1000112.9E140 L141 L144 K160 E161 L162 I168E140-Y164 HydrophobicContact CB-CD1 4.45Å; E140-Y164 HydrophobicContact CB-CE1 3.77Å; L141-Y164 HydrophobicContact CB-CG 4.43Å; L144-Y164 HydrophobicContact CD2-CD2 3.62Å; L144-Y164 HydrophobicContact CD2-CE2 3.84Å; K160-Y164 HydrophobicContact CD-CE2 4.43Å; K160-Y164 HydrophobicContact CG-CD2 4.28Å; K160-Y164 HydrophobicContact CG-CE2 4.02Å; K160-Y164 WeakPolarHBondContact O-CD2 3.29Å; K160-Y164 PolarHBondContact O-N 3.5Å; E161-Y164 PolarHBondContact O-N 3.41Å; L162-Y164 VanDerWaalsContact C-N 3.31Å; L162-Y164 PolarHBondContact O-N 3.15Å; Y164-I168 WeakPolarHBondContact O-CB 3.28Å; Y164-I168 VanDerWaalsContact O-CD1 3.29Å; Y164-I168 WeakPolarHBondContact O-CD1 3.41Å; Y164-I168 WeakPolarHBondContact O-CG1 3.42Å; Y164-I168 PolarHBondContact O-N 3.36Å
165I96.2Very high92.8Very high73 Ų7377.5 Ų77.537%0.37440%0.398SS..Hα-helixtrans-62.8-46.9175.4-70.1162.7000110.1L141 E161 L162 I168 S169L141-I165 HydrophobicContact CD2-CG1 3.87Å; E161-I165 VanDerWaalsContact O-CG1 3.27Å; E161-I165 WeakPolarHBondContact O-CG1 3.3Å; E161-I165 PolarHBondContact O-N 3.02Å; L162-I165 PolarHBondContact O-N 2.74Å; L162-I165 VanDerWaalsContact O-N 3.15Å; I165-I168 PolarHBondContact O-N 3.21Å; I165-S169 WeakPolarHBondContact O-CB 3.49Å; I165-S169 PolarHBondContact O-N 3.49Å
166D96.4Very high93.7Very high112 Ų11273.1 Ų73.160%0.59938%0.377SS*.Hα-helixtrans-62.3-47.1176.8-174.653.6000111.8L162 I168 S169 N170L162-D166 PolarHBondContact O-N 2.69Å; D166-I168 VanDerWaalsContact C-N 3.29Å; D166-I168 PolarHBondContact O-N 3.04Å; D166-S169 WeakPolarHBondContact O-CB 3.41Å; D166-S169 PolarHBondContact O-N 3.39Å; D166-S169 VanDerWaalsContact O-N 3.08Å; D166-N170 PolarHBondContact O-N 2.97Å
167A96.9Very high94.6Very high35 Ų3571.1 Ų71.129%0.28937%0.373SS..Hα-helixtrans-62.2-32.1176.100000113.8Q163 K171Q163-A167 VanDerWaalsContact O-CB 3.31Å; Q163-A167 WeakPolarHBondContact O-CB 3.31Å; Q163-A167 PolarHBondContact O-N 2.63Å; A167-K171 WeakPolarHBondContact O-CB 3.43Å; A167-K171 WeakPolarHBondContact O-CD 3.41Å; A167-K171 VanDerWaalsContact O-CG 3.25Å; A167-K171 WeakPolarHBondContact O-CG 3.4Å; A167-K171 PolarHBondContact O-N 3.46Å; A167-K171 VanDerWaalsContact O-N 3.17Å
168I97.1Very high95.2Very high22 Ų2269.8 Ų69.811%0.11337%0.368CS..Hα-helixtrans-70.4-45.1171.9-73.7161000110.3L134 C137 Q138 L141 Y164 I165 D166 N170 K171 Q172L134-I168 HydrophobicContact CD1-CG2 3.99Å; C137-I168 HydrophobicContact CB-CG1 3.86Å; Q138-I168 HydrophobicContact CB-CD1 4.43Å; Q138-I168 HydrophobicContact CG-CD1 4.05Å; Q138-I168 HydrophobicContact CG-CG1 4.09Å; Q138-I168 HydrophobicContact CG-CG2 4.13Å; L141-I168 HydrophobicContact CB-CD1 3.86Å; L141-I168 HydrophobicContact CD2-CD1 3.52Å; L141-I168 HydrophobicContact CG-CD1 4.33Å; Y164-I168 WeakPolarHBondContact O-CB 3.28Å; Y164-I168 VanDerWaalsContact O-CD1 3.29Å; Y164-I168 WeakPolarHBondContact O-CD1 3.41Å; Y164-I168 WeakPolarHBondContact O-CG1 3.42Å; Y164-I168 PolarHBondContact O-N 3.36Å; I165-I168 PolarHBondContact O-N 3.21Å; D166-I168 VanDerWaalsContact C-N 3.29Å; D166-I168 PolarHBondContact O-N 3.04Å; I168-N170 PolarHBondContact O-N 3.12Å; I168-K171 PolarHBondContact O-N 3.43Å; I168-Q172 VanDerWaalsContact O-CB 3.29Å; I168-Q172 WeakPolarHBondContact O-CB 3.46Å; I168-Q172 PolarHBondContact O-N 3.25Å
169S96.4Very high95.8Very high78 Ų7866.1 Ų66.155%0.54534%0.343SS..Hα-helixtrans-58.2-49178.1-170.30000111.2I165 D166 Q172 G173I165-S169 WeakPolarHBondContact O-CB 3.49Å; I165-S169 PolarHBondContact O-N 3.49Å; D166-S169 WeakPolarHBondContact O-CB 3.41Å; D166-S169 PolarHBondContact O-N 3.39Å; D166-S169 VanDerWaalsContact O-N 3.08Å; S169-Q172 PolarHBondContact O-N 2.91Å; S169-G173 PolarHBondContact O-N 3Å
170N97.3Very high96.2Very high94 Ų9464 Ų6450%0.50334%0.336SS..Hα-helixtrans-61.2-48.8176.8-179.571.9000112D166 I168 Q172 G173 E174D166-N170 PolarHBondContact O-N 2.97Å; I168-N170 PolarHBondContact O-N 3.12Å; N170-Q172 VanDerWaalsContact C-N 3.32Å; N170-Q172 PolarHBondContact O-N 3.38Å; N170-G173 PolarHBondContact O-N 2.85Å; N170-E174 PolarHBondContact ND2-OE1 2.88Å; N170-E174 WeakPolarHBondContact O-CB 3.41Å; N170-E174 PolarHBondContact O-N 2.94Å
171K96.9Very high96.6Very high62 Ų6263.7 Ų63.727%0.2734%0.339SS..Hα-helixtrans-64.3-34.1179-76.4175.3175.1-179.30113.6A133 L134 C137 A167 I168 L175A133-K171 WeakPolarHBondContact O-CD 3.49Å; A133-K171 PolarHBondContact O-NZ 3.44Å; L134-K171 HydrophobicContact CB-CB 4.35Å; L134-K171 HydrophobicContact CD1-CB 3.92Å; C137-K171 HydrophobicContact CB-CD 4.03Å; C137-K171 PolarHBondContact SG-NZ 3.02Å; A167-K171 WeakPolarHBondContact O-CB 3.43Å; A167-K171 WeakPolarHBondContact O-CD 3.41Å; A167-K171 VanDerWaalsContact O-CG 3.25Å; A167-K171 WeakPolarHBondContact O-CG 3.4Å; A167-K171 PolarHBondContact O-N 3.46Å; A167-K171 VanDerWaalsContact O-N 3.17Å; I168-K171 PolarHBondContact O-N 3.43Å; K171-L175 WeakPolarHBondContact O-CB 3.42Å; K171-L175 PolarHBondContact O-N 2.96Å
172Q96.8Very high96.8Very high51 Ų5162.5 Ų62.524%0.23834%0.336CS..Hα-helixtrans-67.7-46175.2-172.9-178.7-30.300110.3L3 L134 I168 S169 N170 E174 L175 E176L3-Q172 HydrophobicContact CD2-CG 4.29Å; L134-Q172 HydrophobicContact CD1-CB 4.1Å; L134-Q172 HydrophobicContact CD2-CB 4.19Å; L134-Q172 HydrophobicContact CD2-CG 4.36Å; I168-Q172 VanDerWaalsContact O-CB 3.29Å; I168-Q172 WeakPolarHBondContact O-CB 3.46Å; I168-Q172 PolarHBondContact O-N 3.25Å; S169-Q172 PolarHBondContact O-N 2.91Å; N170-Q172 VanDerWaalsContact C-N 3.32Å; N170-Q172 PolarHBondContact O-N 3.38Å; Q172-E174 VanDerWaalsContact C-N 3.33Å; Q172-E174 PolarHBondContact O-N 3.3Å; Q172-L175 PolarHBondContact O-N 3.45Å; Q172-L175 VanDerWaalsContact O-N 3.16Å; Q172-E176 HydrophobicContact CG-CG 4.37Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.48Å; Q172-E176 PolarHBondContact NE2-OE1 3.42Å; Q172-E176 WeakPolarHBondContact O-CB 3.41Å; Q172-E176 WeakPolarHBondContact O-CG 3.29Å; Q172-E176 PolarHBondContact O-N 3.28Å
173G96.1Very high97.1Very high25 Ų2560 Ų6026%0.25832%0.319SS..Hα-helixtrans-59.7-41.5173.300000112.7S169 N170 L175 E176 N177S169-G173 PolarHBondContact O-N 3Å; N170-G173 PolarHBondContact O-N 2.85Å; G173-L175 VanDerWaalsContact C-N 3.31Å; G173-L175 PolarHBondContact O-N 3.07Å; G173-E176 PolarHBondContact O-N 3.32Å; G173-N177 VanDerWaalsContact O-CB 3.23Å; G173-N177 WeakPolarHBondContact O-CB 3.45Å; G173-N177 PolarHBondContact O-N 3.33Å; G173-N177 PolarHBondContact O-ND2 2.85Å
174E96.9Very high97.3Very high87 Ų8760.1 Ų60.141%0.40732%0.317SS..Hα-helixtrans-61.8-31.9174.1-87.5-169.3-12800114.7K130 N170 Q172 Y178K130-E174 PolarHBondContact NZ-O 3.36Å; K130-E174 VanDerWaalsContact NZ-O 3.14Å; K130-E174 IonicContact NZ-OE2 3.13Å; K130-E174 PolarHBondContact NZ-OE2 2.95Å; K130-E174 VanDerWaalsContact NZ-OE2 3.13Å; N170-E174 PolarHBondContact ND2-OE1 2.88Å; N170-E174 WeakPolarHBondContact O-CB 3.41Å; N170-E174 PolarHBondContact O-N 2.94Å; Q172-E174 VanDerWaalsContact C-N 3.33Å; Q172-E174 PolarHBondContact O-N 3.3Å; E174-Y178 VanDerWaalsContact O-CB 3.26Å; E174-Y178 WeakPolarHBondContact O-CB 3.48Å; E174-Y178 PolarHBondContact O-N 3.39Å
175L97.1Very high97.4Very high7 Ų760.7 Ų60.74%0.03733%0.327CS..Hα-helixtrans-78.8-48.1175.7175.462.6000110.5Q127 K130 L134 K171 Q172 G173 N177 Y178 V179Q127-L175 HydrophobicContact CG-CD1 4.3Å; K130-L175 HydrophobicContact CB-CB 4.43Å; K130-L175 HydrophobicContact CB-CD1 3.85Å; L134-L175 HydrophobicContact CD2-CD2 3.85Å; K171-L175 WeakPolarHBondContact O-CB 3.42Å; K171-L175 PolarHBondContact O-N 2.96Å; Q172-L175 PolarHBondContact O-N 3.45Å; Q172-L175 VanDerWaalsContact O-N 3.16Å; G173-L175 VanDerWaalsContact C-N 3.31Å; G173-L175 PolarHBondContact O-N 3.07Å; L175-N177 PolarHBondContact O-N 3.25Å; L175-Y178 PolarHBondContact O-N 3.37Å; L175-V179 HydrophobicContact CD1-CG2 4.04Å; L175-V179 WeakPolarHBondContact O-CG2 3.45Å; L175-V179 PolarHBondContact O-N 3.46Å
176E96.6Very high97.5Very high47 Ų4757.2 Ų57.222%0.2231%0.309CS..Hα-helixtrans-61.8-43-179.7-71.2177.8179.200111.5S2 Q172 G173 V179 S180S2-E176 WeakPolarHBondContact CB-OE1 3.47Å; S2-E176 PolarHBondContact OG-OE1 2.88Å; S2-E176 PolarHBondContact OG-OE2 2.76Å; Q172-E176 HydrophobicContact CG-CG 4.37Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.48Å; Q172-E176 PolarHBondContact NE2-OE1 3.42Å; Q172-E176 WeakPolarHBondContact O-CB 3.41Å; Q172-E176 WeakPolarHBondContact O-CG 3.29Å; Q172-E176 PolarHBondContact O-N 3.28Å; G173-E176 PolarHBondContact O-N 3.32Å; E176-V179 PolarHBondContact O-N 3.14Å; E176-S180 WeakPolarHBondContact O-CB 3.42Å; E176-S180 PolarHBondContact O-N 3.11Å
177N97.3Very high97.6Very high107 Ų10754.8 Ų54.857%0.57230%0.296SS*.Hα-helixtrans-61.4-48.1172.8-71-20.1000111.3G173 L175 V179 S180 D181G173-N177 VanDerWaalsContact O-CB 3.23Å; G173-N177 WeakPolarHBondContact O-CB 3.45Å; G173-N177 PolarHBondContact O-N 3.33Å; G173-N177 PolarHBondContact O-ND2 2.85Å; L175-N177 PolarHBondContact O-N 3.25Å; N177-V179 VanDerWaalsContact C-N 3.33Å; N177-V179 PolarHBondContact O-N 2.91Å; N177-S180 PolarHBondContact O-N 2.97Å; N177-D181 PolarHBondContact O-N 2.85Å
178Y98.3Very high97.7Very high45 Ų4555.9 Ų55.918%0.17630%0.299CS..Hα-helixtrans-61.1-40.4179.9-175.3-94000112.7Y123 E126 Q127 K130 E174 L175 G182Y123-Y178 AromaticContact CD2-CE1 3.65Å; Y123-Y178 HydrophobicContact CD2-CE1 3.65Å; Y123-Y178 HydrophobicContact CE2-CD1 4.3Å; Y123-Y178 AromaticContact CE2-CE1 3.79Å; Y123-Y178 HydrophobicContact CE2-CE1 3.79Å; E126-Y178 HydrophobicContact CB-CE1 3.98Å; E126-Y178 HydrophobicContact CB-CE2 4.1Å; E126-Y178 WeakPolarHBondContact CB-OH 3.35Å; E126-Y178 WeakPolarHBondContact OE2-CE2 3.12Å; E126-Y178 VanDerWaalsContact OE2-CZ 3.28Å; E126-Y178 PolarHBondContact OE2-OH 3.17Å; Q127-Y178 HydrophobicContact CB-CD1 4.22Å; Q127-Y178 HydrophobicContact CB-CE1 3.97Å; K130-Y178 HydrophobicContact CD-CD1 4.14Å; K130-Y178 HydrophobicContact CD-CD2 4.16Å; K130-Y178 HydrophobicContact CD-CG 3.71Å; E174-Y178 VanDerWaalsContact O-CB 3.26Å; E174-Y178 WeakPolarHBondContact O-CB 3.48Å; E174-Y178 PolarHBondContact O-N 3.39Å; L175-Y178 PolarHBondContact O-N 3.37Å; Y178-G182 PolarHBondContact O-N 2.9Å
179V98.3Very high97.8Very high0 Ų055.3 Ų55.30%030%0.296CS..Hα-helixtrans-68.5-39.3176.3173.10000111.2S6 M9 H10 Q127 L175 E176 N177 G182 Y183S6-V179 WeakPolarHBondContact O-CG1 3.25Å; M9-V179 HydrophobicContact CB-CG1 3.91Å; M9-V179 HydrophobicContact CE-CG1 4.03Å; M9-V179 HydrophobicContact CG-CG1 3.91Å; H10-V179 HydrophobicContact CB-CG1 4.11Å; Q127-V179 HydrophobicContact CG-CG2 3.93Å; L175-V179 HydrophobicContact CD1-CG2 4.04Å; L175-V179 WeakPolarHBondContact O-CG2 3.45Å; L175-V179 PolarHBondContact O-N 3.46Å; E176-V179 PolarHBondContact O-N 3.14Å; N177-V179 VanDerWaalsContact C-N 3.33Å; N177-V179 PolarHBondContact O-N 2.91Å; V179-G182 PolarHBondContact O-N 2.93Å; V179-Y183 PolarHBondContact O-N 3.47Å
180S97.9Very high97.9Very high58 Ų5854.2 Ų54.241%0.40628%0.282SS..Hα-helixtrans-66.8-46.7177.5-165.30000112.7E176 N177 G182 Y183 K184E176-S180 WeakPolarHBondContact O-CB 3.42Å; E176-S180 PolarHBondContact O-N 3.11Å; N177-S180 PolarHBondContact O-N 2.97Å; S180-G182 VanDerWaalsContact C-N 3.34Å; S180-Y183 PolarHBondContact O-N 3.14Å; S180-K184 WeakPolarHBondContact O-CB 3.49Å; S180-K184 PolarHBondContact O-N 3.31Å
181D98.4Very high97.9Very high93 Ų9358.2 Ų58.250%0.49729%0.29SS..Hα-helixtrans-66.2-36.5175.6-77.5-34.5000111.8N177 T185N177-D181 PolarHBondContact O-N 2.85Å; D181-T185 VanDerWaalsContact O-CB 3.27Å; D181-T185 WeakPolarHBondContact O-CB 3.47Å; D181-T185 PolarHBondContact O-N 3.49Å; D181-T185 PolarHBondContact O-OG1 3.04Å
182G98.6Very high98Very high9 Ų962.4 Ų62.49%0.09330%0.304CS..Hα-helixtrans-59.5-47.7171.800000112.4Y178 V179 S180 T185 A186Y178-G182 PolarHBondContact O-N 2.9Å; V179-G182 PolarHBondContact O-N 2.93Å; S180-G182 VanDerWaalsContact C-N 3.34Å; G182-T185 WeakPolarHBondContact O-CB 3.16Å; G182-T185 PolarHBondContact O-N 3.18Å; G182-A186 PolarHBondContact O-N 3.26Å
183Y98.7Very high98.1Very high65 Ų6561.1 Ų61.126%0.25530%0.297SS..Hα-helixtrans-64-46.1178-175.8-130.8000112.3M9 L12 T13 V16 V179 S180 T185 A186 L187M9-Y183 HydrophobicContact CG-CD1 3.77Å; M9-Y183 HydrophobicContact CG-CG 3.75Å; M9-Y183 HydrophobicContact SD-CD1 3.94Å; M9-Y183 HydrophobicContact SD-CG 4.37Å; L12-Y183 HydrophobicContact CB-CD2 4.09Å; L12-Y183 HydrophobicContact CB-CE2 3.63Å; T13-Y183 VanDerWaalsContact OG1-CA 3.23Å; T13-Y183 WeakPolarHBondContact OG1-CA 3.47Å; T13-Y183 VanDerWaalsContact OG1-CB 3.27Å; T13-Y183 WeakPolarHBondContact OG1-CB 3.46Å; T13-Y183 PolarHBondContact OG1-N 3.08Å; V16-Y183 HydrophobicContact CG2-CE2 4.44Å; V179-Y183 PolarHBondContact O-N 3.47Å; S180-Y183 PolarHBondContact O-N 3.14Å; Y183-T185 VanDerWaalsContact C-N 3.26Å; Y183-T185 PolarHBondContact O-N 3.04Å; Y183-A186 PolarHBondContact O-N 2.91Å; Y183-L187 HydrophobicContact CD1-CD1 4.2Å; Y183-L187 HydrophobicContact CD2-CD1 4.48Å; Y183-L187 HydrophobicContact CD2-CG 4.31Å; Y183-L187 HydrophobicContact CE1-CD1 3.73Å; Y183-L187 HydrophobicContact CE2-CD1 4.02Å; Y183-L187 HydrophobicContact CE2-CD2 4.08Å; Y183-L187 HydrophobicContact CE2-CG 3.92Å; Y183-L187 WeakPolarHBondContact O-CG 3.47Å; Y183-L187 PolarHBondContact O-N 2.87Å
184K98.7Very high98.2Very high135 Ų13564.8 Ų64.859%0.58731%0.306SS*.Hα-helixtrans-58.5-39174.1-179-178.8175.2-173.60112S180 T188S180-K184 WeakPolarHBondContact O-CB 3.49Å; S180-K184 PolarHBondContact O-N 3.31Å; K184-T188 WeakPolarHBondContact O-CB 3.35Å; K184-T188 PolarHBondContact O-N 2.94Å; K184-T188 PolarHBondContact O-OG1 3.15Å
185T98.7Very high98.3Very high69 Ų6963.6 Ų63.642%0.42331%0.307SS..Hα-helixtrans-66.4-46.7176.3-60.50000111.1D181 G182 Y183 L187 T188 E189D181-T185 VanDerWaalsContact O-CB 3.27Å; D181-T185 WeakPolarHBondContact O-CB 3.47Å; D181-T185 PolarHBondContact O-N 3.49Å; D181-T185 PolarHBondContact O-OG1 3.04Å; G182-T185 WeakPolarHBondContact O-CB 3.16Å; G182-T185 PolarHBondContact O-N 3.18Å; Y183-T185 VanDerWaalsContact C-N 3.26Å; Y183-T185 PolarHBondContact O-N 3.04Å; T185-L187 PolarHBondContact O-N 3.42Å; T185-T188 WeakPolarHBondContact O-CB 3.49Å; T185-T188 PolarHBondContact O-N 2.91Å; T185-T188 VanDerWaalsContact O-N 3.14Å; T185-E189 WeakPolarHBondContact O-CG 3.47Å; T185-E189 PolarHBondContact O-N 3.31Å
186A98.7Very high98.4Very high0 Ų064.9 Ų64.90%031%0.312CS..Hα-helixtrans-61-45.717800000112.5T13 V16 Y17 G182 Y183 T188 E189 E190T13-A186 HydrophobicContact CG2-CB 3.87Å; V16-A186 HydrophobicContact CB-CB 4.04Å; V16-A186 HydrophobicContact CG1-CB 3.92Å; V16-A186 WeakPolarHBondContact CG1-O 3.45Å; Y17-A186 HydrophobicContact CD2-CB 4.14Å; Y17-A186 HydrophobicContact CE2-CB 3.7Å; G182-A186 PolarHBondContact O-N 3.26Å; Y183-A186 PolarHBondContact O-N 2.91Å; A186-T188 VanDerWaalsContact C-N 3.29Å; A186-T188 PolarHBondContact O-N 3.21Å; A186-E189 WeakPolarHBondContact O-CB 3.49Å; A186-E189 PolarHBondContact O-N 3.02Å; A186-E190 PolarHBondContact O-N 3.02Å
187L98.8Very high98.5Very high62 Ų6264.5 Ų64.533%0.32531%0.311SS..Hα-helixtrans-62-35.3173.7-68.9177.5000112.7V16 Y183 T185 R191V16-L187 HydrophobicContact CG2-CD2 4.04Å; Y183-L187 HydrophobicContact CD1-CD1 4.2Å; Y183-L187 HydrophobicContact CD2-CD1 4.48Å; Y183-L187 HydrophobicContact CD2-CG 4.31Å; Y183-L187 HydrophobicContact CE1-CD1 3.73Å; Y183-L187 HydrophobicContact CE2-CD1 4.02Å; Y183-L187 HydrophobicContact CE2-CD2 4.08Å; Y183-L187 HydrophobicContact CE2-CG 3.92Å; Y183-L187 WeakPolarHBondContact O-CG 3.47Å; Y183-L187 PolarHBondContact O-N 2.87Å; T185-L187 PolarHBondContact O-N 3.42Å; L187-R191 WeakPolarHBondContact O-CB 3.2Å; L187-R191 PolarHBondContact O-N 2.96Å
188T98.7Very high98.6Very high57 Ų5763.6 Ų63.635%0.3531%0.31SS..Hα-helixtrans-67.6-39.6175.2-59.60000111K184 T185 A186 R191 R192K184-T188 WeakPolarHBondContact O-CB 3.35Å; K184-T188 PolarHBondContact O-N 2.94Å; K184-T188 PolarHBondContact O-OG1 3.15Å; T185-T188 WeakPolarHBondContact O-CB 3.49Å; T185-T188 PolarHBondContact O-N 2.91Å; T185-T188 VanDerWaalsContact O-N 3.14Å; A186-T188 VanDerWaalsContact C-N 3.29Å; A186-T188 PolarHBondContact O-N 3.21Å; T188-R191 PolarHBondContact O-N 3.12Å; T188-R192 HydrophobicContact CG2-CG 4.44Å; T188-R192 WeakPolarHBondContact O-CB 3.46Å; T188-R192 WeakPolarHBondContact O-CG 3.35Å; T188-R192 PolarHBondContact O-N 3.47Å
189E98.1Very high98.6Very high10 Ų1066.5 Ų66.55%0.04733%0.325CS..Hα-helixtrans-64.4-44.9174.9-76.9-58.6124.200112Y115 T185 A186 R192 R193Y115-E189 WeakPolarHBondContact CE1-OE2 3.48Å; T185-E189 WeakPolarHBondContact O-CG 3.47Å; T185-E189 PolarHBondContact O-N 3.31Å; A186-E189 WeakPolarHBondContact O-CB 3.49Å; A186-E189 PolarHBondContact O-N 3.02Å; E189-R192 PolarHBondContact O-N 3.36Å; E189-R192 IonicContact OE1-CZ 3.86Å; E189-R192 IonicContact OE1-NH1 3.73Å; E189-R192 PolarHBondContact OE1-NH1 3.45Å; E189-R193 PolarHBondContact O-N 3.19Å; E189-R193 PolarHBondContact O-NH1 2.96Å; E189-R193 IonicContact OE2-CZ 2.63Å; E189-R193 IonicContact OE2-NH1 2.88Å; E189-R193 PolarHBondContact OE2-NH1 3.44Å; E189-R193 IonicContact OE2-NH2 3.25Å; E189-R193 PolarHBondContact OE2-NH2 3Å
190E98.4Very high98.6Very high56 Ų5667.4 Ų67.426%0.26233%0.329SS..Hα-helixtrans-57-53.9171.9-177.3178.4-126.800111.2V16 I20 A186 R192 R193 F194V16-E190 HydrophobicContact CG1-CB 3.93Å; I20-E190 HydrophobicContact CD1-CB 4.01Å; I20-E190 HydrophobicContact CG1-CB 4.36Å; A186-E190 PolarHBondContact O-N 3.02Å; E190-R192 VanDerWaalsContact C-N 3.33Å; E190-R192 PolarHBondContact O-N 3.47Å; E190-R193 PolarHBondContact O-N 2.89Å; E190-R193 VanDerWaalsContact O-N 3.13Å; E190-F194 HydrophobicContact CG-CD2 4.15Å; E190-F194 HydrophobicContact CG-CE2 3.95Å; E190-F194 WeakPolarHBondContact O-CD2 3.46Å; E190-F194 PolarHBondContact O-N 2.83Å
191R98.8Very high98.6Very high177 Ų17768.2 Ų68.267%0.66833%0.326SS*.Hα-helixtrans-58.8-41.7-178.8-174.9175.9-178.983.51.8112.6L187 T188 R193 F194 C195L187-R191 WeakPolarHBondContact O-CB 3.2Å; L187-R191 PolarHBondContact O-N 2.96Å; T188-R191 PolarHBondContact O-N 3.12Å; R191-R193 PolarHBondContact O-N 3.46Å; R191-F194 PolarHBondContact O-N 3.33Å; R191-C195 WeakPolarHBondContact O-CB 3.33Å; R191-C195 PolarHBondContact O-N 2.94Å; R191-C195 PolarHBondContact O-SG 2.9Å; R191-C195 VanDerWaalsContact O-SG 3.36Å
192R98.6Very high98.5Very high150 Ų15067.6 Ų67.657%0.56633%0.328SS*.Hα-helixtrans-55.5-39177.7-83.2168174.1176.4-2.2112.3T188 E189 E190 F196T188-R192 HydrophobicContact CG2-CG 4.44Å; T188-R192 WeakPolarHBondContact O-CB 3.46Å; T188-R192 WeakPolarHBondContact O-CG 3.35Å; T188-R192 PolarHBondContact O-N 3.47Å; E189-R192 PolarHBondContact O-N 3.36Å; E189-R192 IonicContact OE1-CZ 3.86Å; E189-R192 IonicContact OE1-NH1 3.73Å; E189-R192 PolarHBondContact OE1-NH1 3.45Å; E190-R192 VanDerWaalsContact C-N 3.33Å; E190-R192 PolarHBondContact O-N 3.47Å; R192-F196 WeakPolarHBondContact O-CB 3.5Å; R192-F196 PolarHBondContact O-N 3.37Å
193R98.5Very high98.5Very high25 Ų2568.4 Ų68.49%0.09433%0.334CS..Hα-helixtrans-70.9-45.5-178-71.9167.7177.268.57.6112I20 F24 D112 E189 E190 R191 F196 L197I20-R193 VanDerWaalsContact CG2-CD 3.45Å; F24-R193 HydrophobicContact CD1-CB 4.32Å; F24-R193 HydrophobicContact CE1-CB 3.66Å; F24-R193 HydrophobicContact CE1-CG 4.18Å; F24-R193 HydrophobicContact CE2-CB 4.32Å; F24-R193 HydrophobicContact CZ-CB 3.67Å; D112-R193 IonicContact OD1-CZ 3.45Å; D112-R193 IonicContact OD1-NE 3.4Å; D112-R193 PolarHBondContact OD1-NE 3.02Å; D112-R193 IonicContact OD1-NH2 2.72Å; D112-R193 PolarHBondContact OD1-NH2 3.19Å; D112-R193 IonicContact OD2-CZ 2.7Å; D112-R193 IonicContact OD2-NE 3.46Å; D112-R193 PolarHBondContact OD2-NE 3.41Å; D112-R193 IonicContact OD2-NH2 3.2Å; D112-R193 PolarHBondContact OD2-NH2 3.02Å; E189-R193 PolarHBondContact O-N 3.19Å; E189-R193 PolarHBondContact O-NH1 2.96Å; E189-R193 IonicContact OE2-CZ 2.63Å; E189-R193 IonicContact OE2-NH1 2.88Å; E189-R193 PolarHBondContact OE2-NH1 3.44Å; E189-R193 IonicContact OE2-NH2 3.25Å; E189-R193 PolarHBondContact OE2-NH2 3Å; E190-R193 PolarHBondContact O-N 2.89Å; E190-R193 VanDerWaalsContact O-N 3.13Å; R191-R193 PolarHBondContact O-N 3.46Å; R193-F196 PolarHBondContact O-N 3.18Å; R193-L197 PolarHBondContact O-N 2.96Å; R193-L197 VanDerWaalsContact O-N 3.09Å
194F98.8Very high98.4Very high102 Ų10265.9 Ų65.945%0.44733%0.325SS..Hα-helixtrans-64.5-42.7172.8-73.8-71.5000112.4F24 E190 R191 F196 L197 V198F24-F194 HydrophobicContact CD2-CD1 4.36Å; F24-F194 AromaticContact CD2-CE1 3.78Å; F24-F194 HydrophobicContact CD2-CE1 3.78Å; F24-F194 HydrophobicContact CD2-CE2 4.11Å; F24-F194 AromaticContact CD2-CZ 3.63Å; F24-F194 HydrophobicContact CD2-CZ 3.63Å; F24-F194 AromaticContact CE2-CD1 3.91Å; F24-F194 HydrophobicContact CE2-CD1 3.91Å; F24-F194 AromaticContact CE2-CE1 3.75Å; F24-F194 HydrophobicContact CE2-CE1 3.75Å; F24-F194 HydrophobicContact CE2-CE2 4.43Å; F24-F194 HydrophobicContact CE2-CG 4.33Å; F24-F194 HydrophobicContact CE2-CZ 4.03Å; E190-F194 HydrophobicContact CG-CD2 4.15Å; E190-F194 HydrophobicContact CG-CE2 3.95Å; E190-F194 WeakPolarHBondContact O-CD2 3.46Å; E190-F194 PolarHBondContact O-N 2.83Å; R191-F194 PolarHBondContact O-N 3.33Å; F194-F196 VanDerWaalsContact C-N 3.33Å; F194-F196 PolarHBondContact O-N 2.98Å; F194-L197 PolarHBondContact O-N 3.15Å; F194-V198 WeakPolarHBondContact O-CG2 3.24Å; F194-V198 PolarHBondContact O-N 3.34Å
195C98.7Very high98.3Very high62 Ų6262.1 Ų62.142%0.41932%0.319SS..Hα-helixtrans-59.4-42.1175.2-74.90000112.1R191 V198 E199R191-C195 WeakPolarHBondContact O-CB 3.33Å; R191-C195 PolarHBondContact O-N 2.94Å; R191-C195 PolarHBondContact O-SG 2.9Å; R191-C195 VanDerWaalsContact O-SG 3.36Å; C195-V198 PolarHBondContact O-N 3.47Å; C195-E199 WeakPolarHBondContact O-CB 3.47Å; C195-E199 PolarHBondContact O-N 3.11Å
196F98.6Very high98.2Very high33 Ų3366.4 Ų66.415%0.14533%0.332CS..Hα-helixtrans-63.7-42.8176.7-171.9-103.9000112.3Q104 L105 K108 R192 R193 F194 V198 E199 K200Q104-F196 HydrophobicContact CB-CE1 4.39Å; Q104-F196 HydrophobicContact CB-CZ 4.06Å; L105-F196 HydrophobicContact CD2-CD1 3.81Å; L105-F196 HydrophobicContact CD2-CE1 3.87Å; K108-F196 HydrophobicContact CB-CE1 4.48Å; K108-F196 HydrophobicContact CD-CD1 3.65Å; K108-F196 HydrophobicContact CD-CD2 4.39Å; K108-F196 HydrophobicContact CD-CE1 3.53Å; K108-F196 HydrophobicContact CD-CE2 4.29Å; K108-F196 HydrophobicContact CD-CG 4.08Å; K108-F196 HydrophobicContact CD-CZ 3.87Å; K108-F196 VanDerWaalsContact CE-CE2 3.4Å; K108-F196 VanDerWaalsContact CE-CZ 3.41Å; K108-F196 HydrophobicContact CG-CD1 4.39Å; K108-F196 HydrophobicContact CG-CE1 3.82Å; K108-F196 HydrophobicContact CG-CZ 4.12Å; R192-F196 WeakPolarHBondContact O-CB 3.5Å; R192-F196 PolarHBondContact O-N 3.37Å; R193-F196 PolarHBondContact O-N 3.18Å; F194-F196 VanDerWaalsContact C-N 3.33Å; F194-F196 PolarHBondContact O-N 2.98Å; F196-V198 PolarHBondContact O-N 3.16Å; F196-E199 WeakPolarHBondContact O-CB 3.34Å; F196-E199 PolarHBondContact O-N 3.43Å; F196-K200 HydrophobicContact CE1-CG 4.27Å; F196-K200 HydrophobicContact CZ-CD 4.45Å; F196-K200 HydrophobicContact CZ-CG 4.37Å; F196-K200 WeakPolarHBondContact O-CG 3.36Å; F196-K200 PolarHBondContact O-N 3.49Å; F196-K200 VanDerWaalsContact O-N 3.11Å
197L98.7Very high98.1Very high39 Ų3968.8 Ų68.820%0.20435%0.345CS..Hα-helixtrans-60.2-45.1174.9176.861.3000111.9L28 F31 L105 R193 F194 K200 Q201L28-L197 HydrophobicContact CD1-CD1 4.31Å; F31-L197 HydrophobicContact CD1-CD1 4.35Å; F31-L197 HydrophobicContact CE1-CD1 3.98Å; F31-L197 HydrophobicContact CZ-CD1 4.48Å; L105-L197 HydrophobicContact CD1-CD1 3.9Å; L105-L197 HydrophobicContact CD2-CD1 4.33Å; R193-L197 PolarHBondContact O-N 2.96Å; R193-L197 VanDerWaalsContact O-N 3.09Å; F194-L197 PolarHBondContact O-N 3.15Å; L197-K200 PolarHBondContact O-N 3.38Å; L197-Q201 PolarHBondContact O-N 3.18Å; L197-Q201 VanDerWaalsContact O-N 3.09Å
198V98.8Very high98Very high89 Ų8967.2 Ų67.254%0.53934%0.339SS..Hα-helixtrans-64.3-43.8177.2172.50000111.2F194 C195 F196 K200 Q201 C202F194-V198 WeakPolarHBondContact O-CG2 3.24Å; F194-V198 PolarHBondContact O-N 3.34Å; C195-V198 PolarHBondContact O-N 3.47Å; F196-V198 PolarHBondContact O-N 3.16Å; V198-K200 VanDerWaalsContact C-N 3.32Å; V198-K200 PolarHBondContact O-N 3.07Å; V198-Q201 PolarHBondContact O-N 3.1Å; V198-C202 PolarHBondContact O-N 2.9Å; V198-C202 PolarHBondContact O-SG 3.29Å; V198-C202 VanDerWaalsContact O-SG 3.33Å
199E98.4Very high98Very high105 Ų10567 Ų6749%0.49134%0.343SS..Hα-helixtrans-54.3-46.6176.2-174.5-159.1125.200111.6C195 F196 C202 A203C195-E199 WeakPolarHBondContact O-CB 3.47Å; C195-E199 PolarHBondContact O-N 3.11Å; F196-E199 WeakPolarHBondContact O-CB 3.34Å; F196-E199 PolarHBondContact O-N 3.43Å; E199-C202 PolarHBondContact O-N 2.82Å; E199-A203 PolarHBondContact O-N 3.28Å; E199-A203 VanDerWaalsContact O-N 3.08Å
200K98.4Very high97.9Very high19 Ų1968.6 Ų68.68%0.08336%0.358CS..Hα-helixtrans-70.3-36.4179.6-58.2-38.2177.8-174.90112.8L101 F196 L197 V198 A203 V204L101-K200 HydrophobicContact CB-CB 4.13Å; L101-K200 HydrophobicContact CD1-CB 4.24Å; L101-K200 HydrophobicContact CG-CB 4.04Å; F196-K200 HydrophobicContact CE1-CG 4.27Å; F196-K200 HydrophobicContact CZ-CD 4.45Å; F196-K200 HydrophobicContact CZ-CG 4.37Å; F196-K200 WeakPolarHBondContact O-CG 3.36Å; F196-K200 PolarHBondContact O-N 3.49Å; F196-K200 VanDerWaalsContact O-N 3.11Å; L197-K200 PolarHBondContact O-N 3.38Å; V198-K200 VanDerWaalsContact C-N 3.32Å; V198-K200 PolarHBondContact O-N 3.07Å; K200-A203 PolarHBondContact O-N 3.05Å; K200-V204 WeakPolarHBondContact O-CG2 3.22Å; K200-V204 PolarHBondContact O-N 3.36Å; K200-V204 VanDerWaalsContact O-N 3.16Å
201Q97.8Very high97.9Very high76 Ų7668.4 Ų68.436%0.35536%0.355SS..Hα-helixtrans-63.7-39.8171.8-76.5-70.35.100112.3F31 L101 L197 V198 A203 V204 A205F31-Q201 VanDerWaalsContact CZ-NE2 3.33Å; L101-Q201 HydrophobicContact CD1-CG 4.23Å; L197-Q201 PolarHBondContact O-N 3.18Å; L197-Q201 VanDerWaalsContact O-N 3.09Å; V198-Q201 PolarHBondContact O-N 3.1Å; Q201-A203 VanDerWaalsContact C-N 3.35Å; Q201-A203 PolarHBondContact O-N 3.39Å; Q201-V204 PolarHBondContact O-N 3.02Å; Q201-A205 VanDerWaalsContact O-CB 3.29Å; Q201-A205 WeakPolarHBondContact O-CB 3.33Å; Q201-A205 PolarHBondContact O-N 2.88Å
202C98Very high97.9Very high79 Ų7965.9 Ų65.953%0.53435%0.35SS..Hα-helixtrans-63.6-37.9175.1-70.80000112.7V198 E199 K206V198-C202 PolarHBondContact O-N 2.9Å; V198-C202 PolarHBondContact O-SG 3.29Å; V198-C202 VanDerWaalsContact O-SG 3.33Å; E199-C202 PolarHBondContact O-N 2.82Å; C202-K206 WeakPolarHBondContact O-CB 3.26Å; C202-K206 PolarHBondContact O-N 3.5Å
203A96.9Very high97.9Very high26 Ų2662.3 Ų62.322%0.21535%0.349CS..Hα-helixtrans-62-48.2174.900000111.7E199 K200 Q201 K206 N207E199-A203 PolarHBondContact O-N 3.28Å; E199-A203 VanDerWaalsContact O-N 3.08Å; K200-A203 PolarHBondContact O-N 3.05Å; Q201-A203 VanDerWaalsContact C-N 3.35Å; Q201-A203 PolarHBondContact O-N 3.39Å; A203-K206 WeakPolarHBondContact O-CB 3.41Å; A203-K206 PolarHBondContact O-N 3.02Å; A203-N207 PolarHBondContact O-N 3.38Å
204V97.1Very high97.8Very high13 Ų1364.2 Ų64.28%0.07936%0.357CS..Hα-helixtrans-62.9-46.4176.7174.80000111.1F97 L101 K200 Q201 K206 N207 S208F97-V204 HydrophobicContact CB-CG1 4.45Å; F97-V204 HydrophobicContact CB-CG2 4.33Å; F97-V204 HydrophobicContact CD2-CG1 3.97Å; F97-V204 HydrophobicContact CD2-CG2 4.01Å; L101-V204 HydrophobicContact CB-CG2 3.94Å; L101-V204 HydrophobicContact CD1-CG2 3.81Å; K200-V204 WeakPolarHBondContact O-CG2 3.22Å; K200-V204 PolarHBondContact O-N 3.36Å; K200-V204 VanDerWaalsContact O-N 3.16Å; Q201-V204 PolarHBondContact O-N 3.02Å; V204-K206 VanDerWaalsContact C-N 3.27Å; V204-K206 PolarHBondContact O-N 3.35Å; V204-N207 WeakPolarHBondContact O-CA 3.42Å; V204-N207 PolarHBondContact O-N 3.18Å; V204-S208 PolarHBondContact O-N 3.44Å; V204-S208 PolarHBondContact O-OG 3.28Å
205A97.6Very high97.8Very high55 Ų5559.8 Ų59.846%0.45534%0.341SS..Hα-helixtrans-60.9-33.3179.100000113.1Q201 S208 A209Q201-A205 VanDerWaalsContact O-CB 3.29Å; Q201-A205 WeakPolarHBondContact O-CB 3.33Å; Q201-A205 PolarHBondContact O-N 2.88Å; A205-S208 PolarHBondContact O-N 2.95Å; A205-A209 WeakPolarHBondContact O-CB 3.48Å; A205-A209 PolarHBondContact O-N 3.39Å
206K96.9Very high97.8Very high159 Ų15964.8 Ų64.869%0.69136%0.355SS*.Hα-helixtrans-62.8-41.7172.5-176.5-175.1174.7-171.90111.5C202 A203 V204 A209 A210C202-K206 WeakPolarHBondContact O-CB 3.26Å; C202-K206 PolarHBondContact O-N 3.5Å; A203-K206 WeakPolarHBondContact O-CB 3.41Å; A203-K206 PolarHBondContact O-N 3.02Å; V204-K206 VanDerWaalsContact C-N 3.27Å; V204-K206 PolarHBondContact O-N 3.35Å; K206-A209 WeakPolarHBondContact O-CB 3.23Å; K206-A209 PolarHBondContact O-N 3.38Å; K206-A210 PolarHBondContact O-N 3.07Å; K206-A210 VanDerWaalsContact O-N 3.07Å
207N95.6Very high97.8Very high51 Ų5167.4 Ų67.427%0.27337%0.368SS..Hα-helixtrans-71.8-34.8176.9-64.7-26000111.5M93 S96 A203 V204 A209 A210 Y211M93-N207 HydrophobicContact CB-CB 4.31Å; M93-N207 HydrophobicContact CG-CB 4.08Å; S96-N207 VanDerWaalsContact CB-ND2 3.25Å; S96-N207 WeakPolarHBondContact CB-ND2 3.17Å; S96-N207 PolarHBondContact OG-ND2 3.11Å; A203-N207 PolarHBondContact O-N 3.38Å; V204-N207 WeakPolarHBondContact O-CA 3.42Å; V204-N207 PolarHBondContact O-N 3.18Å; N207-A209 VanDerWaalsContact C-N 3.34Å; N207-A209 PolarHBondContact O-N 3.05Å; N207-A210 PolarHBondContact O-N 3.48Å; N207-Y211 PolarHBondContact O-N 3.17Å
208S96.4Very high97.8Very high28 Ų2866.3 Ų66.320%0.19636%0.362CS..Hα-helixtrans-60.6-41.4168.5-49.30000112.4M93 V204 A205 Y211 H212M93-S208 PolarHBondContact SD-OG 2.9Å; V204-S208 PolarHBondContact O-N 3.44Å; V204-S208 PolarHBondContact O-OG 3.28Å; A205-S208 PolarHBondContact O-N 2.95Å; S208-Y211 PolarHBondContact O-N 3.41Å; S208-H212 PolarHBondContact O-CD2 3.02Å; S208-H212 PolarHBondContact O-N 3.13Å
209A98.1Very high97.8Very high53 Ų5365.1 Ų65.144%0.43835%0.353SS..Hα-helixtrans-64.6-38.3176.300000112.5A205 K206 N207 S213A205-A209 WeakPolarHBondContact O-CB 3.48Å; A205-A209 PolarHBondContact O-N 3.39Å; K206-A209 WeakPolarHBondContact O-CB 3.23Å; K206-A209 PolarHBondContact O-N 3.38Å; N207-A209 VanDerWaalsContact C-N 3.34Å; N207-A209 PolarHBondContact O-N 3.05Å; A209-S213 VanDerWaalsContact O-CB 3.25Å; A209-S213 WeakPolarHBondContact O-CB 3.49Å; A209-S213 PolarHBondContact O-N 3.36Å; A209-S213 PolarHBondContact O-OG 3.41Å
210A97.2Very high97.8Very high43 Ų4363.5 Ų63.536%0.35536%0.357SS..Hα-helixtrans-62.8-49.7173.600000111.7K206 N207 H212 S213 K214K206-A210 PolarHBondContact O-N 3.07Å; K206-A210 VanDerWaalsContact O-N 3.07Å; N207-A210 PolarHBondContact O-N 3.48Å; A210-H212 PolarHBondContact O-N 2.93Å; A210-S213 PolarHBondContact O-N 2.95Å; A210-K214 PolarHBondContact O-N 3.11Å
211Y98Very high97.8Very high52 Ų5268 Ų6820%0.20438%0.379CS..Hα-helixtrans-53.6-52.3174.4161.4-104.5000112.8I86 Q89 L90 M93 N207 S208 S213 K214 G215I86-Y211 HydrophobicContact CG2-CD2 4.3Å; I86-Y211 HydrophobicContact CG2-CE2 3.53Å; I86-Y211 WeakPolarHBondContact O-CD2 3.37Å; I86-Y211 WeakPolarHBondContact O-CE2 3.4Å; Q89-Y211 HydrophobicContact CB-CD2 4.04Å; L90-Y211 HydrophobicContact CB-CD2 3.91Å; L90-Y211 HydrophobicContact CB-CE2 3.69Å; L90-Y211 HydrophobicContact CG-CE2 4.49Å; M93-Y211 HydrophobicContact CE-CD1 3.44Å; M93-Y211 VanDerWaalsContact CE-CD1 3.44Å; M93-Y211 HydrophobicContact CE-CD2 4.32Å; M93-Y211 HydrophobicContact CE-CE1 4.21Å; M93-Y211 HydrophobicContact CE-CG 3.51Å; N207-Y211 PolarHBondContact O-N 3.17Å; S208-Y211 PolarHBondContact O-N 3.41Å; Y211-S213 VanDerWaalsContact C-N 3.34Å; Y211-S213 PolarHBondContact O-N 3.18Å; Y211-K214 PolarHBondContact O-N 3.25Å; Y211-G215 PolarHBondContact O-N 3.46Å
212H98.4Very high97.8Very high124 Ų12467.4 Ų67.457%0.57438%0.375SS*.Hα-helixtrans-64.8-38.1179.5-70.5-53.9000112.5S208 A210 G215 K216S208-H212 PolarHBondContact O-CD2 3.02Å; S208-H212 PolarHBondContact O-N 3.13Å; A210-H212 PolarHBondContact O-N 2.93Å; H212-G215 PolarHBondContact O-N 3.18Å; H212-K216 WeakPolarHBondContact O-CB 3.12Å; H212-K216 PolarHBondContact O-N 3.26Å
213S98.4Very high97.8Very high76 Ų7667.4 Ų67.453%0.53137%0.369SS..Hα-helixtrans-64.1-42.3176.3-59.80000111.3A209 A210 Y211 K216 E217A209-S213 VanDerWaalsContact O-CB 3.25Å; A209-S213 WeakPolarHBondContact O-CB 3.49Å; A209-S213 PolarHBondContact O-N 3.36Å; A209-S213 PolarHBondContact O-OG 3.41Å; A210-S213 PolarHBondContact O-N 2.95Å; Y211-S213 VanDerWaalsContact C-N 3.34Å; Y211-S213 PolarHBondContact O-N 3.18Å; S213-K216 PolarHBondContact O-N 3.4Å; S213-E217 WeakPolarHBondContact O-CB 3.49Å; S213-E217 PolarHBondContact O-N 2.6Å
214K98.1Very high97.9Very high64 Ų6469.6 Ų69.628%0.27838%0.381SS..Hα-helixtrans-65.3-42.6177.3-168.468.5-169.8163.30112.2Q89 A210 Y211 E217 L218Q89-K214 HydrophobicContact CG-CB 4.18Å; Q89-K214 HydrophobicContact CG-CG 4.08Å; A210-K214 PolarHBondContact O-N 3.11Å; Y211-K214 PolarHBondContact O-N 3.25Å; K214-E217 IonicContact NZ-OE2 2.9Å; K214-E217 PolarHBondContact NZ-OE2 3.41Å; K214-E217 PolarHBondContact O-N 2.9Å; K214-L218 HydrophobicContact CD-CD1 4.47Å; K214-L218 HydrophobicContact CD-CG 4.5Å; K214-L218 HydrophobicContact CG-CD1 4.07Å; K214-L218 HydrophobicContact CG-CG 4.47Å; K214-L218 WeakPolarHBondContact O-CG 3.49Å; K214-L218 PolarHBondContact O-N 3.41Å
215G98.4Very high97.9Very high10 Ų1074 Ų7410%0.10340%0.404CS..Hα-helixtrans-60.6-46174.400000112.7Y211 H212 L219Y211-G215 PolarHBondContact O-N 3.46Å; H212-G215 PolarHBondContact O-N 3.18Å; G215-L219 VanDerWaalsContact O-CB 3.31Å; G215-L219 WeakPolarHBondContact O-CB 3.37Å; G215-L219 WeakPolarHBondContact O-CD1 3.28Å; G215-L219 VanDerWaalsContact O-CG 3.28Å; G215-L219 WeakPolarHBondContact O-CG 3.45Å; G215-L219 PolarHBondContact O-N 2.83Å; G215-L219 VanDerWaalsContact O-N 3.12Å
216K98.6Very high98Very high166 Ų16672.4 Ų72.472%0.72239%0.386SS*.Hα-helixtrans-59.1-48.7174.7-179.8-178.2175.4-177.90111.8H212 S213 A220H212-K216 WeakPolarHBondContact O-CB 3.12Å; H212-K216 PolarHBondContact O-N 3.26Å; S213-K216 PolarHBondContact O-N 3.4Å; K216-A220 WeakPolarHBondContact O-CB 3.4Å; K216-A220 PolarHBondContact O-N 3.11Å
217E98.5Very high98Very high88 Ų8870.3 Ų70.341%0.41138%0.378SS..Hα-helixtrans-58.1-55.9-179-177.3-166.5-162.500111.7S213 K214 L219 A220 Q221S213-E217 WeakPolarHBondContact O-CB 3.49Å; S213-E217 PolarHBondContact O-N 2.6Å; K214-E217 IonicContact NZ-OE2 2.9Å; K214-E217 PolarHBondContact NZ-OE2 3.41Å; K214-E217 PolarHBondContact O-N 2.9Å; E217-L219 PolarHBondContact O-N 2.89Å; E217-A220 PolarHBondContact O-N 3.35Å; E217-Q221 WeakPolarHBondContact O-CG 3.46Å; E217-Q221 PolarHBondContact O-N 3.05Å
218L98.6Very high98.1Very high16 Ų1674.5 Ų74.58%0.08440%0.397CS..Hα-helixtrans-63.7-44.8-175.6-68.5174.1000112.1V82 Q85 I86 K214 Q221 K222V82-L218 HydrophobicContact CG1-CB 3.87Å; V82-L218 HydrophobicContact CG1-CD1 4.42Å; V82-L218 HydrophobicContact CG2-CB 4.45Å; Q85-L218 HydrophobicContact CB-CD1 3.75Å; I86-L218 HydrophobicContact CG1-CD1 4.04Å; K214-L218 HydrophobicContact CD-CD1 4.47Å; K214-L218 HydrophobicContact CD-CG 4.5Å; K214-L218 HydrophobicContact CG-CD1 4.07Å; K214-L218 HydrophobicContact CG-CG 4.47Å; K214-L218 WeakPolarHBondContact O-CG 3.49Å; K214-L218 PolarHBondContact O-N 3.41Å; L218-Q221 PolarHBondContact O-N 3.05Å; L218-K222 WeakPolarHBondContact O-CB 3.37Å; L218-K222 WeakPolarHBondContact O-CG 3.48Å; L218-K222 PolarHBondContact O-N 2.84Å; L218-K222 VanDerWaalsContact O-N 3.15Å
219L98.6Very high98.1Very high65 Ų6574.7 Ų74.734%0.3440%0.4SS..Hα-helixtrans-68.6-39.7-179.8-67.6171.2000111.9V82 I86 G215 E217 Q221 K222 L223 W226V82-L219 HydrophobicContact CG1-CD2 3.96Å; V82-L219 HydrophobicContact CG1-CG 4.45Å; I86-L219 HydrophobicContact CD1-CD1 4.32Å; I86-L219 HydrophobicContact CD1-CG 4.22Å; G215-L219 VanDerWaalsContact O-CB 3.31Å; G215-L219 WeakPolarHBondContact O-CB 3.37Å; G215-L219 WeakPolarHBondContact O-CD1 3.28Å; G215-L219 VanDerWaalsContact O-CG 3.28Å; G215-L219 WeakPolarHBondContact O-CG 3.45Å; G215-L219 PolarHBondContact O-N 2.83Å; G215-L219 VanDerWaalsContact O-N 3.12Å; E217-L219 PolarHBondContact O-N 2.89Å; L219-Q221 VanDerWaalsContact C-N 3.28Å; L219-Q221 PolarHBondContact O-N 3.4Å; L219-K222 PolarHBondContact O-N 3.44Å; L219-L223 WeakPolarHBondContact O-CB 3.47Å; L219-L223 PolarHBondContact O-N 2.88Å; L219-W226 HydrophobicContact CD2-CH2 4.28Å; L219-W226 HydrophobicContact CD2-CZ3 4Å
220A98.4Very high97.9Very high70 Ų7076 Ų7658%0.57940%0.404SS*.Hα-helixtrans-63.2-34.9178.300000112.5K216 E217K216-A220 WeakPolarHBondContact O-CB 3.4Å; K216-A220 PolarHBondContact O-N 3.11Å; E217-A220 PolarHBondContact O-N 3.35Å
221Q98.1Very high97.9Very high114 Ų11477 Ų7753%0.53341%0.413SS..Hα-helixtrans-75.3-34.9177.4-69.2174.217.600113.2E217 L218 L219E217-Q221 WeakPolarHBondContact O-CG 3.46Å; E217-Q221 PolarHBondContact O-N 3.05Å; L218-Q221 PolarHBondContact O-N 3.05Å; L219-Q221 VanDerWaalsContact C-N 3.28Å; L219-Q221 PolarHBondContact O-N 3.4Å
222K98.3Very high97.8Very high63 Ų6378.4 Ų78.427%0.27442%0.424SS..Hα-helixtrans-101-32.9-169.3-68.7-66.5-169.5173.70115V82 L218 L219 P224 L225 W226V82-K222 HydrophobicContact CG2-CG 4.08Å; L218-K222 WeakPolarHBondContact O-CB 3.37Å; L218-K222 WeakPolarHBondContact O-CG 3.48Å; L218-K222 PolarHBondContact O-N 2.84Å; L218-K222 VanDerWaalsContact O-N 3.15Å; L219-K222 PolarHBondContact O-N 3.44Å; K222-P224 VanDerWaalsContact C-CD 3.5Å; K222-L225 WeakPolarHBondContact O-CB 3.46Å; K222-L225 PolarHBondContact O-N 2.9Å; K222-L225 VanDerWaalsContact O-N 3.12Å; K222-W226 HydrophobicContact CB-CD2 4.22Å; K222-W226 HydrophobicContact CB-CH2 3.92Å; K222-W226 HydrophobicContact CB-CZ2 3.51Å; K222-W226 HydrophobicContact CB-CZ3 4.42Å; K222-W226 HydrophobicContact CG-CZ2 4.18Å; K222-W226 PolarHBondContact O-N 2.88Å
223L98.3Very high97.6Very high80 Ų8078.5 Ų78.542%0.41944%0.436SS..Hα-helixtrans-56.1-42-174.4-177.763.3000114.3L219 L225 W226 Q227L219-L223 WeakPolarHBondContact O-CB 3.47Å; L219-L223 PolarHBondContact O-N 2.88Å; L223-L225 VanDerWaalsContact C-N 3.3Å; L223-L225 PolarHBondContact O-N 3.25Å; L223-W226 HydrophobicContact CD1-CE3 4.2Å; L223-W226 PolarHBondContact O-N 3.32Å; L223-Q227 HydrophobicContact CD1-CG 4.32Å; L223-Q227 HydrophobicContact CG-CG 4.48Å; L223-Q227 WeakPolarHBondContact O-CG 3.4Å; L223-Q227 PolarHBondContact O-N 3.38Å
224P98.4Very high97.4Very high71 Ų7179.2 Ų79.246%0.46144%0.441SS..Hα-helixtrans-63-35.3178.5-22.934.9000113.1K222 Q227 Q228K222-P224 VanDerWaalsContact C-CD 3.5Å; P224-Q227 PolarHBondContact O-N 3.03Å; P224-Q228 WeakPolarHBondContact O-CB 3.28Å; P224-Q228 PolarHBondContact O-N 3.11Å
225L98.2Very high97.1Very high106 Ų10681.3 Ų81.356%0.55545%0.45SS*.Hα-helixtrans-68.9-40.9178.6-57.5176.3000111.1K222 L223 Q228 A229K222-L225 WeakPolarHBondContact O-CB 3.46Å; K222-L225 PolarHBondContact O-N 2.9Å; K222-L225 VanDerWaalsContact O-N 3.12Å; L223-L225 VanDerWaalsContact C-N 3.3Å; L223-L225 PolarHBondContact O-N 3.25Å; L225-Q228 PolarHBondContact O-N 3.12Å; L225-A229 WeakPolarHBondContact O-CB 3.35Å; L225-A229 PolarHBondContact O-N 2.89Å
226W98.3Very high96.8Very high21 Ų2185.5 Ų85.58%0.0847%0.469CS..Hα-helixtrans-65.3-40.9176.5-58.2-22.5000112V75 Q78 M79 V82 L219 K222 L223 A229 C230V75-W226 HydrophobicContact CG1-CB 4.11Å; V75-W226 HydrophobicContact CG1-CG 4.01Å; Q78-W226 HydrophobicContact CB-CZ2 4.4Å; M79-W226 HydrophobicContact CB-CH2 4.29Å; M79-W226 HydrophobicContact CB-CZ2 4.21Å; M79-W226 HydrophobicContact CG-CD2 3.61Å; M79-W226 HydrophobicContact CG-CE3 3.78Å; M79-W226 HydrophobicContact CG-CG 4.24Å; M79-W226 HydrophobicContact CG-CH2 3.83Å; M79-W226 HydrophobicContact CG-CZ2 3.65Å; M79-W226 HydrophobicContact CG-CZ3 3.89Å; M79-W226 HydrophobicContact SD-CD2 4.42Å; V82-W226 HydrophobicContact CB-CH2 3.93Å; V82-W226 HydrophobicContact CB-CZ2 4.25Å; V82-W226 HydrophobicContact CG1-CH2 4.02Å; V82-W226 HydrophobicContact CG2-CH2 3.97Å; V82-W226 HydrophobicContact CG2-CZ2 3.9Å; L219-W226 HydrophobicContact CD2-CH2 4.28Å; L219-W226 HydrophobicContact CD2-CZ3 4Å; K222-W226 HydrophobicContact CB-CD2 4.22Å; K222-W226 HydrophobicContact CB-CH2 3.92Å; K222-W226 HydrophobicContact CB-CZ2 3.51Å; K222-W226 HydrophobicContact CB-CZ3 4.42Å; K222-W226 HydrophobicContact CG-CZ2 4.18Å; K222-W226 PolarHBondContact O-N 2.88Å; L223-W226 HydrophobicContact CD1-CE3 4.2Å; L223-W226 PolarHBondContact O-N 3.32Å; W226-A229 PolarHBondContact O-N 3.48Å; W226-C230 PolarHBondContact O-SG 3.42Å
227Q97.9Very high96.4Very high115 Ų11579.5 Ų79.554%0.53745%0.447SS..Hα-helixtrans-63-42.3174.7-72171.6-3300112L223 P224 A229 A231L223-Q227 HydrophobicContact CD1-CG 4.32Å; L223-Q227 HydrophobicContact CG-CG 4.48Å; L223-Q227 WeakPolarHBondContact O-CG 3.4Å; L223-Q227 PolarHBondContact O-N 3.38Å; P224-Q227 PolarHBondContact O-N 3.03Å; Q227-A229 VanDerWaalsContact C-N 3.35Å; Q227-A231 PolarHBondContact O-N 3.42Å
228Q97.4Very high95.9Very high140 Ų14082.8 Ų82.865%0.65446%0.462SS*.Hα-helixtrans-67.9-33.8178.7-175.856.368.300112.7P224 L225 C230 A231P224-Q228 WeakPolarHBondContact O-CB 3.28Å; P224-Q228 PolarHBondContact O-N 3.11Å; L225-Q228 PolarHBondContact O-N 3.12Å; Q228-C230 VanDerWaalsContact C-N 3.32Å; Q228-C230 PolarHBondContact O-N 3.44Å; Q228-A231 WeakPolarHBondContact O-CB 3.5Å; Q228-A231 PolarHBondContact O-N 3.41Å
229A95.8Very high95.5Very high32 Ų3291.1 Ų91.126%0.26449%0.493SS..Hα-helixtrans-65.5-31.8-178.500000113.5L72 V75 L225 W226 Q227L72-A229 HydrophobicContact CD2-CB 4.08Å; L72-A229 WeakPolarHBondContact CD2-O 3.38Å; V75-A229 HydrophobicContact CG2-CB 3.67Å; L225-A229 WeakPolarHBondContact O-CB 3.35Å; L225-A229 PolarHBondContact O-N 2.89Å; W226-A229 PolarHBondContact O-N 3.48Å; Q227-A229 VanDerWaalsContact C-N 3.35Å
230C94.5Very high95Very high79 Ų7989.9 Ų89.953%0.53449%0.491SS..THydrogen-bonded Turntrans-10010.5177.561.30000114.4W226 Q228 D232W226-C230 PolarHBondContact O-SG 3.42Å; Q228-C230 VanDerWaalsContact C-N 3.32Å; Q228-C230 PolarHBondContact O-N 3.44Å; C230-D232 VanDerWaalsContact C-N 3.34Å; C230-D232 PolarHBondContact O-N 2.84Å
231A96.9Very high94.7Very high65 Ų6588.9 Ų88.954%0.53748%0.478SS..SBendtrans-70.9-22.6-174.600000114.7Q227 Q228Q227-A231 PolarHBondContact O-N 3.42Å; Q228-A231 WeakPolarHBondContact O-CB 3.5Å; Q228-A231 PolarHBondContact O-N 3.41Å
232D95.1Very high94.4Very high81 Ų8188.1 Ų88.143%0.43348%0.475SS..  trans-12292.3172.5179.38.1000111C230 S234 K235C230-D232 VanDerWaalsContact C-N 3.34Å; C230-D232 PolarHBondContact O-N 2.84Å; D232-S234 PolarHBondContact O-N 2.87Å; D232-S234 WeakPolarHBondContact OD1-CA 3.47Å; D232-S234 WeakPolarHBondContact OD1-CB 2.92Å; D232-S234 PolarHBondContact OD1-N 2.85Å; D232-S234 PolarHBondContact OD1-OG 2.87Å; D232-K235 HydrophobicContact CB-CB 4.3Å; D232-K235 WeakPolarHBondContact O-CB 3.47Å; D232-K235 PolarHBondContact O-N 3.28Å; D232-K235 PolarHBondContact OD1-N 2.89Å
233P94.8Very high94.1Very high127 Ų12790.1 Ų90.183%0.82549%0.488SS*.THydrogen-bonded Turntrans-68.3-9.2175.8-20.533.8000114.3
234S94.3Very high93.6Very high90 Ų9091.9 Ų91.963%0.62950%0.495SS*.THydrogen-bonded Turntrans-100.8-2.7-177.868.40000113.9D232 I236D232-S234 PolarHBondContact O-N 2.87Å; D232-S234 WeakPolarHBondContact OD1-CA 3.47Å; D232-S234 WeakPolarHBondContact OD1-CB 2.92Å; D232-S234 PolarHBondContact OD1-N 2.85Å; D232-S234 PolarHBondContact OD1-OG 2.87Å; S234-I236 PolarHBondContact O-N 2.69Å; S234-I236 VanDerWaalsContact O-N 3.17Å
235K92.9Very high93.3Very high109 Ų10994.4 Ų94.447%0.47450%0.501SS..  trans-54.6115.6-178.9-174.4-179.6173-169.80111.8E71 D232E71-K235 IonicContact OE1-NZ 3.06Å; E71-K235 PolarHBondContact OE1-NZ 2.93Å; E71-K235 IonicContact OE2-NZ 3.7Å; E71-K235 PolarHBondContact OE2-NZ 3.49Å; D232-K235 HydrophobicContact CB-CB 4.3Å; D232-K235 WeakPolarHBondContact O-CB 3.47Å; D232-K235 PolarHBondContact O-N 3.28Å; D232-K235 PolarHBondContact OD1-N 2.89Å
236I90.5Very high92.8Very high97 Ų9794.3 Ų94.350%0.49750%0.498SS..  trans-92.5129.2174.6-53.8-56.4000109.4S234 A240 V241 M244S234-I236 PolarHBondContact O-N 2.69Å; S234-I236 VanDerWaalsContact O-N 3.17Å; I236-A240 HydrophobicContact CG2-CB 3.83Å; I236-V241 HydrophobicContact CB-CG2 4.11Å; I236-V241 HydrophobicContact CG2-CG2 3.83Å; I236-M244 HydrophobicContact CG2-CE 4.02Å
237P90.6Very high92.1Very high41 Ų4196.8 Ų96.827%0.26652%0.523SS..  trans-58.6139.9177-22.129.8000112.5Q67 R239 A240 V241Q67-P237 VanDerWaalsContact O-CG 3.31Å; Q67-P237 WeakPolarHBondContact O-CG 3.43Å; P237-R239 PolarHBondContact O-N 3.02Å; P237-R239 VanDerWaalsContact O-N 3.09Å; P237-A240 WeakPolarHBondContact O-CA 3.42Å; P237-A240 WeakPolarHBondContact O-CB 3.17Å; P237-A240 PolarHBondContact O-N 3.24Å; P237-V241 PolarHBondContact O-N 2.94Å; P237-V241 VanDerWaalsContact O-N 3.08Å
238E89.1Confident91.2Very high156 Ų15695.1 Ų95.173%0.72953%0.528SS*.Hα-helixtrans-52.5-37.7-178.8-65.4-178.9179.300113.2A240 V241 Q242E238-A240 VanDerWaalsContact C-N 3.32Å; E238-A240 PolarHBondContact O-N 3.29Å; E238-V241 WeakPolarHBondContact O-CB 3.39Å; E238-V241 PolarHBondContact O-N 3.47Å; E238-Q242 WeakPolarHBondContact O-CB 3.5Å; E238-Q242 VanDerWaalsContact O-CG 3.29Å; E238-Q242 WeakPolarHBondContact O-CG 3.07Å; E238-Q242 PolarHBondContact O-N 3.45Å
239R88.5Confident89.8Confident192 Ų19291.9 Ų91.973%0.72552%0.521SS*.Hα-helixtrans-61.2-38.4175.8-174.6176.3-176.8153.62.4112.8P237 L243P237-R239 PolarHBondContact O-N 3.02Å; P237-R239 VanDerWaalsContact O-N 3.09Å; R239-L243 HydrophobicContact CG-CD1 4.46Å; R239-L243 VanDerWaalsContact O-CG 3.31Å; R239-L243 WeakPolarHBondContact O-CG 3.29Å; R239-L243 PolarHBondContact O-N 2.7Å
240A89.8Confident88.1Confident38 Ų3896.9 Ų96.931%0.31454%0.543SS..Hα-helixtrans-71.7-39.3175.800000110.8I236 P237 E238 Q242 L243 M244I236-A240 HydrophobicContact CG2-CB 3.83Å; P237-A240 WeakPolarHBondContact O-CA 3.42Å; P237-A240 WeakPolarHBondContact O-CB 3.17Å; P237-A240 PolarHBondContact O-N 3.24Å; E238-A240 VanDerWaalsContact C-N 3.32Å; E238-A240 PolarHBondContact O-N 3.29Å; A240-Q242 PolarHBondContact O-N 3.18Å; A240-L243 PolarHBondContact O-N 3.12Å; A240-M244 WeakPolarHBondContact O-CG 3.33Å; A240-M244 PolarHBondContact O-N 2.92Å
241V91.4Very high86.2Confident49 Ų4996 Ų9630%0.29755%0.547SS..Hα-helixtrans-58.8-45.8172.7-179.40000111.3I236 P237 E238 M244 Q245I236-V241 HydrophobicContact CB-CG2 4.11Å; I236-V241 HydrophobicContact CG2-CG2 3.83Å; P237-V241 PolarHBondContact O-N 2.94Å; P237-V241 VanDerWaalsContact O-N 3.08Å; E238-V241 WeakPolarHBondContact O-CB 3.39Å; E238-V241 PolarHBondContact O-N 3.47Å; V241-M244 HydrophobicContact CG2-CE 4.35Å; V241-M244 PolarHBondContact O-N 2.64Å; V241-Q245 WeakPolarHBondContact O-CG 3.34Å; V241-Q245 PolarHBondContact O-N 2.94Å
242Q92Very high83.9Confident99 Ų9996.9 Ų96.946%0.46356%0.555SS.*Hα-helixtrans-62.3-42.7176.7-71.9168.911.900112.3E238 A240 Q245 Q246E238-Q242 WeakPolarHBondContact O-CB 3.5Å; E238-Q242 VanDerWaalsContact O-CG 3.29Å; E238-Q242 WeakPolarHBondContact O-CG 3.07Å; E238-Q242 PolarHBondContact O-N 3.45Å; A240-Q242 PolarHBondContact O-N 3.18Å; Q242-Q245 PolarHBondContact O-N 3.49Å; Q242-Q246 WeakPolarHBondContact O-CB 3.5Å; Q242-Q246 VanDerWaalsContact O-CG 3.29Å; Q242-Q246 WeakPolarHBondContact O-CG 3.43Å; Q242-Q246 PolarHBondContact O-N 3.09Å
243L91.2Very high81.6Confident105 Ų10599.1 Ų99.155%0.5557%0.572SS.*Hα-helixtrans-63.9-40.8176.2-73.4167.6000112.2R239 A240 Q246 A247R239-L243 HydrophobicContact CG-CD1 4.46Å; R239-L243 VanDerWaalsContact O-CG 3.31Å; R239-L243 WeakPolarHBondContact O-CG 3.29Å; R239-L243 PolarHBondContact O-N 2.7Å; A240-L243 PolarHBondContact O-N 3.12Å; L243-Q246 PolarHBondContact O-N 3.04Å; L243-A247 WeakPolarHBondContact O-CB 3.48Å; L243-A247 PolarHBondContact O-N 2.99Å
244M89.2Confident79.1Confident116 Ų116101 Ų10157%0.57157%0.574SS**Hα-helixtrans-64.5-40.7175-69.4-174.8-63.800111.9I236 A240 V241 A247 A248I236-M244 HydrophobicContact CG2-CE 4.02Å; A240-M244 WeakPolarHBondContact O-CG 3.33Å; A240-M244 PolarHBondContact O-N 2.92Å; V241-M244 HydrophobicContact CG2-CE 4.35Å; V241-M244 PolarHBondContact O-N 2.64Å; M244-A247 PolarHBondContact O-N 3.4Å; M244-A248 PolarHBondContact O-N 3.42Å; M244-A248 VanDerWaalsContact O-N 3.08Å
245Q90.4Very high76.8Confident124 Ų124102.5 Ų102.558%0.57958%0.581SS**Hα-helixtrans-65.6-41.5175.8-73173.4-0.300112.3V241 Q242 A248 S249V241-Q245 WeakPolarHBondContact O-CG 3.34Å; V241-Q245 PolarHBondContact O-N 2.94Å; Q242-Q245 PolarHBondContact O-N 3.49Å; Q245-A248 PolarHBondContact O-N 3.3Å; Q245-S249 PolarHBondContact O-N 3.43Å; Q245-S249 PolarHBondContact O-OG 3.37Å
246Q87.6Confident74.1Confident105 Ų105103 Ų10349%0.49160%0.598SS.*Hα-helixtrans-65.3-38.5176.2-73.2172.115.600112.4Q242 L243 A248 S249 N250Q242-Q246 WeakPolarHBondContact O-CB 3.5Å; Q242-Q246 VanDerWaalsContact O-CG 3.29Å; Q242-Q246 WeakPolarHBondContact O-CG 3.43Å; Q242-Q246 PolarHBondContact O-N 3.09Å; L243-Q246 PolarHBondContact O-N 3.04Å; Q246-A248 VanDerWaalsContact C-N 3.32Å; Q246-A248 PolarHBondContact O-N 3.2Å; Q246-S249 WeakPolarHBondContact CA-OG 3.33Å; Q246-S249 PolarHBondContact O-N 3.21Å; Q246-S249 PolarHBondContact O-OG 2.62Å; Q246-S249 VanDerWaalsContact O-OG 3.05Å; Q246-N250 WeakPolarHBondContact O-CB 3.37Å; Q246-N250 PolarHBondContact O-N 3.16Å; Q246-N250 PolarHBondContact O-ND2 3.06Å
247A84.7Confident71.9Confident73 Ų73102.4 Ų102.460%0.60361%0.608SS**Hα-helixtrans-63.5-38.5173.500000111.8L243 M244L243-A247 WeakPolarHBondContact O-CB 3.48Å; L243-A247 PolarHBondContact O-N 2.99Å; M244-A247 PolarHBondContact O-N 3.4Å
248A79.2Confident69.5Low79 Ų79108.3 Ų108.365%0.65364%0.637SS**Hα-helixtrans-70.3-40175.600000112.9M244 Q245 Q246 G251M244-A248 PolarHBondContact O-N 3.42Å; M244-A248 VanDerWaalsContact O-N 3.08Å; Q245-A248 PolarHBondContact O-N 3.3Å; Q246-A248 VanDerWaalsContact C-N 3.32Å; Q246-A248 PolarHBondContact O-N 3.2Å; A248-G251 PolarHBondContact O-N 3.18Å
249S68.4Low67.1Low72 Ų72105.3 Ų105.350%0.50363%0.633SS.*Hα-helixtrans-70.2-32.7179.1620000113.1Q245 Q246 G251 A252Q245-S249 PolarHBondContact O-N 3.43Å; Q245-S249 PolarHBondContact O-OG 3.37Å; Q246-S249 WeakPolarHBondContact CA-OG 3.33Å; Q246-S249 PolarHBondContact O-N 3.21Å; Q246-S249 PolarHBondContact O-OG 2.62Å; Q246-S249 VanDerWaalsContact O-OG 3.05Å; S249-G251 PolarHBondContact O-N 2.96Å; S249-A252 WeakPolarHBondContact O-CB 3.32Å; S249-A252 PolarHBondContact O-N 3.36Å
250N59.4Low65.1Low137 Ų137101.5 Ų101.573%0.73364%0.643SS**THydrogen-bonded Turntrans-76.3-3.3179.8-67.6-7.8000113.6Q246 A252Q246-N250 WeakPolarHBondContact O-CB 3.37Å; Q246-N250 PolarHBondContact O-N 3.16Å; Q246-N250 PolarHBondContact O-ND2 3.06Å; N250-A252 VanDerWaalsContact C-N 3.33Å
251G54.5Low62.6Low60 Ų60104.4 Ų104.462%0.61966%0.661SS**THydrogen-bonded Turntrans-82.7-2172.700000115A248 S249 T253A248-G251 PolarHBondContact O-N 3.18Å; S249-G251 PolarHBondContact O-N 2.96Å; G251-T253 VanDerWaalsContact C-N 3.31Å; G251-T253 PolarHBondContact O-N 3.36Å
252A48.7Very low60.4Low84 Ų84111.6 Ų111.669%0.69469%0.688SS**  trans-82.651.1-167.900000115.5S249 N250S249-A252 WeakPolarHBondContact O-CB 3.32Å; S249-A252 PolarHBondContact O-N 3.36Å; N250-A252 VanDerWaalsContact C-N 3.33Å
253T46.7Very low57.6Low129 Ų129111.8 Ų111.879%0.79170%0.7SS**SBendtrans-139.143.8168.163.80000114.6G251G251-T253 VanDerWaalsContact C-N 3.31Å; G251-T253 PolarHBondContact O-N 3.36Å
254L42.8Very low55Low166 Ų166113.4 Ų113.487%0.86971%0.71SS**SBendtrans-144.4139.9159.1-78-177.9000111.1
255P45.7Very low52.6Low121 Ų121115.7 Ų115.779%0.78672%0.723SS**  trans-91137.7-17933.9-32.7000114
256S36.8Very low50.2Low119 Ų119115.5 Ų115.583%0.83273%0.73SS**  trans81.7131.9150.4-1470000120.6
257A43.9Very low47.9Very low85 Ų85118.2 Ų118.270%0.70275%0.746SS**  trans51.4110.8154.400000119.5
258L39.4Very low45.7Very low165 Ų165119.9 Ų119.986%0.86475%0.754SS**  -169.9141110.3-97.8162.1000112.3
259S38.4Very low44.1Very low94 Ų94123.2 Ų123.266%0.65776%0.761SS**  trans45.2104.6158.6-60.70000120.6S261S259-S261 VanDerWaalsContact C-N 3.34Å; S259-S261 PolarHBondContact O-N 2.85Å
260A47.1Very low42.7Very low112 Ų112125.4 Ų125.493%0.92677%0.773SS**  trans-68.888152.400000110.8
261S36.4Very low41.9Very low99 Ų99125.6 Ų125.669%0.69277%0.772SS**  trans-92.8110.2170-72.90000110.5S259 S263S259-S261 VanDerWaalsContact C-N 3.34Å; S259-S261 PolarHBondContact O-N 2.85Å; S261-S263 PolarHBondContact O-N 2.96Å
262K45.5Very low41.2Very low199 Ų199129 Ų12987%0.86578%0.783SS**  trans-6893.4169.3-71.2179.9176.8178.50109.8N264K262-N264 VanDerWaalsContact C-N 3.29Å; K262-N264 PolarHBondContact O-N 2.91Å
263S34Very low41.4Very low103 Ų103128.8 Ų128.872%0.7279%0.79SS**  trans-76.780.2169.459.60000110.5S261 L265S261-S263 PolarHBondContact O-N 2.96Å; S263-L265 VanDerWaalsContact C-N 3.35Å; S263-L265 PolarHBondContact O-N 2.88Å
264N36.6Very low41.2Very low140 Ų140126.5 Ų126.575%0.74978%0.784SS**  trans-66.198.8156.5-81.9-32.8000107.5K262 V266K262-N264 VanDerWaalsContact C-N 3.29Å; K262-N264 PolarHBondContact O-N 2.91Å; N264-V266 PolarHBondContact O-N 3.45Å
265L37.6Very low41.4Very low164 Ų164128 Ų12886%0.85978%0.784SS**  trans-75.971.5165.3-70.4177.2000109.1S263S263-L265 VanDerWaalsContact C-N 3.35Å; S263-L265 PolarHBondContact O-N 2.88Å
266V41.9Very low41.3Very low119 Ų119128.2 Ų128.272%0.72179%0.785SS**PPolyproline II helixtrans-63.6132.9153.2176.90000106.4N264 S268N264-V266 PolarHBondContact O-N 3.45Å; V266-S268 PolarHBondContact O-N 2.88Å; V266-S268 VanDerWaalsContact O-N 3.15Å
267I38.8Very low41.9Very low163 Ų163130 Ų13084%0.83678%0.784SS**PPolyproline II helixtrans-57.4118.2177.1-64.6166.2000108.1
268S37.7Very low42.1Very low108 Ų108131.8 Ų131.876%0.75579%0.789SS**PPolyproline II helixtrans-61.1144.5-176.6-51.40000112.6V266V266-S268 PolarHBondContact O-N 2.88Å; V266-S268 VanDerWaalsContact O-N 3.15Å
269D45Very low42.6Very low149 Ų149129.1 Ų129.180%0.79778%0.779SS**PPolyproline II helixtrans-51.9151.4166.1-69.8-65000112.5
270P40.3Very low43.4Very low117 Ų117128.7 Ų128.776%0.7677%0.774SS**PPolyproline II helixtrans-66.9139.4178.728.2-34.6000111.9P272P270-P272 WeakPolarHBondContact O-CD 3.36Å
271I42.5Very low43.8Very low141 Ų141129.2 Ų129.272%0.72377%0.768SS**PPolyproline II helixtrans-57.4123.3-179.2-58.7169000110.7G273I271-G273 PolarHBondContact O-N 3.21Å; I271-G273 VanDerWaalsContact O-N 3.15Å
272P39Very low44.7Very low131 Ų131133 Ų13385%0.85177%0.774SS**THydrogen-bonded Turntrans-61.1116.9172.9-23.334.2000111.3P270P270-P272 WeakPolarHBondContact O-CD 3.36Å
273G52.6Low45.1Very low81 Ų81128.8 Ų128.884%0.83576%0.761SS**THydrogen-bonded Turntrans115.8-5171.800000116.8I271 K275I271-G273 PolarHBondContact O-N 3.21Å; I271-G273 VanDerWaalsContact O-N 3.15Å; G273-K275 PolarHBondContact O-N 3.44Å
274A43.4Very low46.1Very low81 Ų81127.6 Ų127.667%0.66976%0.757SS**PPolyproline II helixtrans-73.3120.5171.700000111
275K46.6Very low46.7Very low198 Ų198125.7 Ų125.786%0.86175%0.753SS**PPolyproline II helixtrans-70.9130.5172.4-73.6-177.7177.5178.20109.9G273G273-K275 PolarHBondContact O-N 3.44Å
276P43.3Very low47.4Very low124 Ų124126.7 Ų126.781%0.80575%0.75SS**PPolyproline II helixtrans-61.3141.7173-21.833000111.7
277L49.6Very low47.8Very low157 Ų157127.2 Ų127.282%0.82275%0.753SS**PPolyproline II helixtrans-69.3146.3165.7-75.9166.6000109.8V279L277-V279 PolarHBondContact O-N 3.41Å
278P48Very low48.1Very low123 Ų123122.9 Ų122.980%0.79975%0.749SS**PPolyproline II helixtrans-65126.4179.6-17.931.1000111.2
279V50.1Low48.4Very low109 Ų109129 Ų12966%0.66176%0.756SS**PPolyproline II helixtrans-78.6136.6173.3-169.50000108.9L277 L283L277-V279 PolarHBondContact O-N 3.41Å; V279-L283 HydrophobicContact CG1-CB 4.28Å
280P54.9Low48Very low85 Ų85130.8 Ų130.855%0.55276%0.761SS**PPolyproline II helixtrans-57.4147.1174.3-26.235.4000112.6E282 L283P280-E282 PolarHBondContact O-N 2.92Å; P280-L283 PolarHBondContact O-N 2.87Å
281P55.6Low47.9Very low122 Ų122131 Ų13179%0.79277%0.766SS**G310 helixtrans-58.4-21.7-171.7-27.335.6000116.2L283P281-L283 VanDerWaalsContact C-N 3.34Å; P281-L283 PolarHBondContact O-N 3.27Å
282E56.7Low47.4Very low178 Ų178129.2 Ų129.283%0.83277%0.772SS**G310 helixtrans-78.5-10.9-171.9-58.1-166138.300114.7P280P280-E282 PolarHBondContact O-N 2.92Å
283L53.8Low47Very low112 Ų112132 Ų13259%0.58677%0.774SS**G310 helixtrans-109-2.5-175.9-63.5178.7000115V279 P280 P281V279-L283 HydrophobicContact CG1-CB 4.28Å; P280-L283 PolarHBondContact O-N 2.87Å; P281-L283 VanDerWaalsContact C-N 3.34Å; P281-L283 PolarHBondContact O-N 3.27Å
284A53.8Low45.8Very low77 Ų77135.7 Ų135.764%0.63677%0.774SS**G310 helixtrans-57.6-34.8-179.500000116.1F286A284-F286 PolarHBondContact O-N 2.98Å
285P50Low45.1Very low101 Ų101137.3 Ų137.366%0.65678%0.78SS**G310 helixtrans-71.5-19.5-173.5-22.334.7000116.2
286F52.2Low44.2Very low184 Ų184134.2 Ų134.281%0.80778%0.778SS**G310 helixtrans-97.3-10.1-165.5-85.7-85.5000115.7A284A284-F286 PolarHBondContact O-N 2.98Å
287V49.8Very low44Very low130 Ų130133.3 Ų133.379%0.78877%0.772SS**SBendtrans-86.5-18.2-175.2-172.80000112.8R289V287-R289 PolarHBondContact O-N 2.83Å
288G46Very low43Very low72 Ų72133.5 Ų133.574%0.74277%0.773SS**SBendtrans-92.117.7-16600000118.3
289R43.4Very low42.1Very low238 Ų238135.3 Ų135.390%0.89877%0.773SS**SBendtrans-133.730.4-171.6-75.1-166.4179.5-117.62.9116.8V287V287-R289 PolarHBondContact O-N 2.83Å
290M36.7Very low40.9Very low185 Ų185137.1 Ų137.191%0.91178%0.779SS**SBendtrans-131.740.1173.8-66.1-16574.300114.7
291S37.3Very low39.6Very low123 Ų123136.4 Ų136.486%0.8679%0.787SS**  trans-158.998.2164.44.80000111.4
292A32.6Very low38.2Very low103 Ų103137.8 Ų137.885%0.85179%0.793SS**  trans169.494153.300000111.6
293Q31.3Very low36.9Very low190 Ų190133.9 Ų133.989%0.88879%0.79SS**  trans-118.7111.9138.4-81-162.6-91.600106.5
294D27.8Very low35.5Very low158 Ų158131.9 Ų131.985%0.84580%0.797SS**  trans-174143.1131.3-96.8-27.6000112.2
295S27Very low35.3Very low114 Ų114133.6 Ų133.680%0.79780%0.801SS**  trans45.9112.7160.558.80000121.5
296T28.1Very low34.3Very low133 Ų133136.4 Ų136.482%0.81681%0.811SS**  trans-86.8154.5154.457.70000110.4
297P39Very low33.1Very low105 Ų105131.4 Ų131.468%0.68281%0.811SS**  -155.4157.474.138.8-17.8000119.8
298I29.4Very low32.1Very low161 Ų161134.1 Ų134.183%0.82682%0.815SS**  trans73.7149.4152.9-74.1164.9000115.9
299M28.1Very low31.2Very low162 Ų162137.6 Ų137.680%0.79882%0.817SS**  cis-145.1-168.711.5-149.2165.6174.500114.1
300N26.4Very low30.4Very low147 Ų147135.7 Ų135.779%0.78681%0.811SS**  trans-41.8162.2164.8-61.9-11.2000117.3
301G26.6Very low30.2Very low70 Ų70132.2 Ų132.272%0.72281%0.805SS**  cis156169.2-5.500000114.3
302V26.3Very low30.4Very low151 Ų151130.2 Ų130.292%0.91579%0.789SS**  trans74.51391601630000121.7
303A28.9Very low30.2Very low95 Ų95137 Ų13779%0.78579%0.793SS**  trans78.8131.8158.600000122.2
304G24.4Very low30.1Very low70 Ų70131.5 Ų131.572%0.72278%0.78SS**  trans-115.5-153.2144.700000108.5
305P50.3Low30.2Very low113 Ų113130.9 Ų130.973%0.73478%0.777SS**  cis-132.5-149.8-3.838.2-16.1000112.7
306D28.1Very low30.3Very low161 Ų161137.3 Ų137.386%0.86178%0.783SS**  trans83.3147.1161.9-56.7-24.6000121.1
307G28.1Very low30.2Very low78 Ų78140.4 Ų140.480%0.80479%0.786SS**  trans142.8107.5168.700000114.7
308E28.1Very low29.6Very low187 Ų187140.1 Ų140.187%0.87479%0.792SS**  trans-87.9169-177-64.4172.5117.300114.5
309D27Very low29.6Very low146 Ų146137.3 Ų137.378%0.78179%0.793SS**  trans58129.3148.7-89.7-5.6000121.6
310Y26Very low29.7Very low197 Ų197136.8 Ų136.877%0.77379%0.788SS**  177.4149.791.8-152.3-119.5000111.3P312Y310-P312 HydrophobicContact CD1-CG 4.15Å; Y310-P312 HydrophobicContact CE1-CG 3.91Å
311S34.5Very low30.2Very low112 Ų112136.1 Ų136.178%0.78379%0.792SS**  trans-146135.2169.3-74.50000110
312P41.4Very low30.4Very low82 Ų82141.3 Ų141.353%0.53280%0.795SS.*  trans-147133.8151.532.5-14.1000116.2Y310Y310-P312 HydrophobicContact CD1-CG 4.15Å; Y310-P312 HydrophobicContact CE1-CG 3.91Å
313W27.2Very low30.3Very low245 Ų245139.6 Ų139.693%0.92879%0.789SS**  trans49.1152.3132.9-79.2-60.4000122.3
314A29.5Very low30.4Very low75 Ų75142.3 Ų142.362%0.6279%0.79SS**  cis-160.7165-1.100000112.8
315D28.9Very low30.6Very low144 Ų144144.1 Ų144.177%0.7779%0.791SS**  trans40.6125.4146.8-81.4-69000124
316R29.2Very low30Very low249 Ų249144.5 Ų144.594%0.9479%0.794SS**  -162.9137.9113.6-112.9176.6172-147.2-3.5114.5
317K26.6Very low30.1Very low199 Ų199143 Ų14387%0.86579%0.793SS**  trans-78.3153.6171.2-72.5-177.3174.81790112.5
318A27Very low30.2Very low98 Ų98148.1 Ų148.181%0.8180%0.796SS**  172161.7103.100000115.3
319A28.8Very low30.4Very low103 Ų103145 Ų14585%0.85179%0.792SS**  trans82115.1161.100000120.8
320Q29.9Very low30.4Very low150 Ų150147.3 Ų147.370%0.70180%0.798SS**  trans-108165.5150.8-80.5-142.5-43.900109.1K322Q320-K322 VanDerWaalsContact OE1-CE 3.3Å
321P37.3Very low30.8Very low133 Ų133143.1 Ų143.186%0.86480%0.798SS**  -135.1170.5109.533.8-21.4000114.3
322K30.4Very low30.5Very low180 Ų180146.8 Ų146.878%0.78380%0.799SS**  trans-117147.9-174.6-63.6177.5178.2176.20113.6Q320Q320-K322 VanDerWaalsContact OE1-CE 3.3Å
323S25.7Very low30Very low114 Ų114150.3 Ų150.380%0.79781%0.813SS**  trans-164160142.852.50000107.2
324L29.7Very low30.2Very low153 Ų153143.9 Ų143.980%0.80181%0.805SS**  cis-178.2116-40.6-115.4167.1000104.9
325S28.1Very low30.2Very low107 Ų107148 Ų14875%0.74882%0.817SS**  trans77.9165.5159.6-42.20000117.7
326P38.6Very low30.3Very low121 Ų121146.6 Ų146.679%0.78682%0.819SS**  -136.5172.3-91.636.5-16.5000115.4
327P30.8Very low30.5Very low129 Ų129146.3 Ų146.384%0.83882%0.819SS**  trans-131.8153.315735.7-22.1000116.2
328Q30.6Very low30.8Very low186 Ų186141.4 Ų141.487%0.86981%0.81SS**PPolyproline II helixtrans-72.4167.2169.5-102.1177.9-55.400112.6
329P30.6Very low31.2Very low123 Ų123143.2 Ų143.280%0.79981%0.806SS**PPolyproline II helixtrans-80.1132.2-166.731.6-35000113.6
330Q28.5Very low31.7Very low194 Ų194145.5 Ų145.591%0.90781%0.81SS**PPolyproline II helixtrans-100.7134.2159.6-82.5-172.2-45.700110.7
331S32.6Very low32.2Very low109 Ų109144.9 Ų144.976%0.76281%0.81SS**PPolyproline II helixtrans-66141.9169.456.60000111.9
332K28.5Very low32.1Very low188 Ų188144.7 Ų144.782%0.81781%0.809SS**  trans-171.6129132.7-103.9167-173.5-176.30112
333L31.6Very low32.4Very low156 Ų156142.3 Ų142.382%0.81781%0.809SS**  40.9106.2128.5-59171.6000119.2
334S30.7Very low33Very low110 Ų110148.4 Ų148.477%0.76982%0.815SS**  175.1125.7112.557.10000110.1
335D29.6Very low33.2Very low161 Ų161150.4 Ų150.486%0.86182%0.817SS**  trans-163.3141.4140.6-105.7-30.9000111.4
336S31.8Very low33.2Very low116 Ų116151.1 Ų151.181%0.81182%0.822SS**  trans-79.3133.4-170.8-65.10000112.2S338S336-S338 PolarHBondContact O-N 3.2Å
337Y32.5Very low33Very low243 Ų243151.5 Ų151.595%0.95382%0.822SS**  trans-72116.8174.9-89.7-88.4000111.5
338S33.2Very low33Very low96 Ų96151.4 Ų151.467%0.67182%0.819SS**  trans-113.3127.6178.5-170.90000111.2S336S336-S338 PolarHBondContact O-N 3.2Å
339N35.4Very low33.2Very low136 Ų136148.5 Ų148.573%0.72782%0.816SS**  trans41.2117.4154.2-63.9-73.3000120.5L341N339-L341 VanDerWaalsContact C-N 3.33Å; N339-L341 PolarHBondContact O-N 3.41Å
340T39.3Very low33.2Very low150 Ų150152.6 Ų152.692%0.9282%0.822SS**  trans-8068.6171.453.90000112.9
341L41.6Very low33.1Very low137 Ų137150.8 Ų150.872%0.71782%0.818SS**  trans-117.9137.9167.3-68.8178000110.8N339 V343N339-L341 VanDerWaalsContact C-N 3.33Å; N339-L341 PolarHBondContact O-N 3.41Å; L341-V343 PolarHBondContact O-N 3.09Å
342P34.6Very low32.9Very low130 Ų130150.1 Ų150.184%0.84481%0.813SS**  trans-74.698.1-179.929.2-33.6000111.8
343V36.4Very low32.9Very low129 Ų129151.7 Ų151.778%0.78282%0.816SS**PPolyproline II helixtrans-77121.9174.5176.70000110.9L341L341-V343 PolarHBondContact O-N 3.09Å
344R38.8Very low32.8Very low242 Ų242148.5 Ų148.591%0.91381%0.812SS**PPolyproline II helixtrans-73.3127.3164.9-91.5-174.3170.7-179.5-2.4109.9S346R344-S346 PolarHBondContact O-N 2.85Å
345K34.3Very low32.6Very low196 Ų196147.4 Ų147.485%0.85281%0.81SS**PPolyproline II helixtrans-69.6126.7169.1-65.5-178.3178.3-178.80110
346S27.8Very low32.7Very low121 Ų121147 Ų14785%0.84681%0.813SS**PPolyproline II helixtrans-78134.1170.246.10000110.4R344R344-S346 PolarHBondContact O-N 2.85Å
347V33.4Very low32.6Very low130 Ų130149.6 Ų149.679%0.78881%0.813SS**  trans-119.7129.1171.2-179.40000108.1
348T32.2Very low32.5Very low126 Ų126143.5 Ų143.577%0.77380%0.796SS**PPolyproline II helixtrans-72.1129.4-179.949.30000111.9
349P33.6Very low32.6Very low125 Ų125147.4 Ų147.481%0.81280%0.801SS**PPolyproline II helixtrans-84.9129.516832.1-30.1000111
350K30.2Very low32.6Very low210 Ų210147.3 Ų147.391%0.91381%0.806SS**PPolyproline II helixtrans-85.7144.6159.7-86.1-176.1175.3179.10109.1
351N27.7Very low32.2Very low156 Ų156148 Ų14883%0.83480%0.803SS**PPolyproline II helixtrans-89.7146.4-175.2-157.313.6000111.4
352S28.2Very low31.8Very low94 Ų94146.9 Ų146.966%0.65780%0.804SS**  145.8144.5126.666.10000117.7
353Y28.8Very low31.8Very low221 Ų221152.1 Ų152.187%0.86781%0.807SS**  trans71.597.3161.4-68.4-73.2000123.8
354A28.8Very low31.6Very low89 Ų89151.6 Ų151.674%0.73681%0.809SS**  76.2124.5114.400000124.2
355A27.2Very low31.4Very low88 Ų88145 Ų14573%0.72780%0.8SS**  trans69.3113.2139.400000121.7
356T31.4Very low31.6Very low151 Ų151141.2 Ų141.293%0.92680%0.798SS**  164.8168.9113.539.70000111.2
357E30Very low32Very low172 Ų172143.9 Ų143.980%0.80480%0.799SS**  trans-93.6163.8-159.9-60177.581.400117.5
358N30.1Very low32.5Very low114 Ų114142.4 Ų142.461%0.6180%0.801SS**  trans87.9111.5144.2-79.8-54.6000122.1
359K35.5Very low32.9Very low178 Ų178141.3 Ų141.377%0.77480%0.804SS**  trans61.4109.1138.1-61.3174.3-176.5173.60119.6
360T34.2Very low33.2Very low135 Ų135139.2 Ų139.283%0.82881%0.806SS**  178.8153103.529.50000113
361L31.2Very low33.3Very low163 Ų163136.9 Ų136.985%0.85380%0.802SS**SBendtrans70.7162171.1-58.7170.2000116.5
362P33.8Very low33.9Very low115 Ų115137.3 Ų137.375%0.74780%0.799SS**  -107.5152.8-91.53.818.7000113.8S364P362-S364 PolarHBondContact O-N 3.08Å
363R34.6Very low34.5Very low240 Ų240143.1 Ų143.191%0.90681%0.807SS**  trans-60.6119.2178.5-75.7175.6162.183.2-1.5111.6S365R363-S365 PolarHBondContact O-N 3.13Å
364S32.9Very low35.2Very low117 Ų117140.4 Ų140.482%0.81881%0.808SS**  trans-64.9119.7159.6-64.50000108.9P362 S366P362-S364 PolarHBondContact O-N 3.08Å; S364-S366 PolarHBondContact O-N 3.07Å
365S34Very low36.4Very low104 Ų104139.7 Ų139.773%0.72781%0.809SS**  trans-73.698.2-176.5-54.80000111.7R363 M367R363-S365 PolarHBondContact O-N 3.13Å; S365-M367 PolarHBondContact O-N 2.95Å; S365-M367 VanDerWaalsContact O-N 3.13Å
366S37.3Very low38.3Very low117 Ų117142.9 Ų142.982%0.81880%0.802SS**  trans-61.7108.5158.4-63.60000109.4S364S364-S366 PolarHBondContact O-N 3.07Å
367M37.8Very low40.9Very low176 Ų176140.2 Ų140.287%0.86778%0.78SS**  trans-107.476.9167.7-76.1-64.8-166.400109.4S365S365-M367 PolarHBondContact O-N 2.95Å; S365-M367 VanDerWaalsContact O-N 3.13Å
368A42.7Very low43.9Very low99 Ų99136 Ų13682%0.81876%0.757SS**  trans-14059.1175.800000110.9
369A41.7Very low47Very low103 Ų103130.6 Ų130.685%0.85173%0.728SS**SBendtrans-166129.3160.500000109.3
370G39.3Very low49.9Very low82 Ų82126.7 Ų126.785%0.84571%0.711SS**  trans98.851.4163.100000118.6
371L32.3Very low52.8Low160 Ų160120.4 Ų120.484%0.83867%0.672SS**  trans-148.586.8144.9-169.161.3000110.3
372E39.6Very low56Low165 Ų165114.9 Ų114.977%0.77164%0.644SS**  trans-63.8143.9169.8-81.1-63.2127.300111
373R41.2Very low58.9Low216 Ų216114.8 Ų114.882%0.81563%0.631SS**SBendtrans36.4102.2164.5-75.2178.7157.3-137.3-1.5117.8
374N43.4Very low61.8Low165 Ų165106.7 Ų106.788%0.88261%0.612SS**SBendtrans151-0.2132.2-74.2-2.5000115.1
375G55.1Low64.8Low73 Ų73102.5 Ų102.575%0.75358%0.579SS**  trans-103.15.2-168.800000119.2
376R67.1Low67.7Low156 Ų156101.8 Ų101.859%0.58958%0.58SS**  trans-96.5127.9-176.7-64.4-171.9-177.4173.22.3112R378 T403R376-R378 PolarHBondContact O-N 3.33Å; R376-T403 HydrophobicContact CB-CG2 3.54Å; R376-T403 HydrophobicContact CG-CG2 4.18Å
377M84.9Confident70Confident94 Ų9496.8 Ų96.846%0.46355%0.545SS..  trans-58.2128.9173.4-68.3171.467.800110L404 P407M377-L404 HydrophobicContact CB-CB 4.4Å; M377-L404 HydrophobicContact CB-CD1 4.09Å; M377-L404 HydrophobicContact CE-CD1 4.46Å; M377-L404 WeakPolarHBondContact O-CB 3.2Å; M377-L404 PolarHBondContact O-N 3.07Å; M377-P407 HydrophobicContact SD-CB 4.21Å
378R93.1Very high72.3Confident83 Ų8391.8 Ų91.831%0.31354%0.538SS..EExtended strand (participates in β ladder)trans-107143.1175.6-70.1-177.3-70.5172.3-0.9109.7R376 I402 E419 L435 S437R376-R378 PolarHBondContact O-N 3.33Å; R378-I402 WeakPolarHBondContact CA-O 3.44Å; R378-E419 WeakPolarHBondContact CD-OE1 3.45Å; R378-L435 PolarHBondContact O-N 3.33Å; R378-S437 PolarHBondContact NH2-OG 3.41Å
379V95.2Very high74.4Confident2 Ų294.9 Ų94.91%0.01254%0.541CS..EExtended strand (participates in β ladder)trans-125.4146.9173.4-56.30000109.3I402 L404 F427 T432 R433 V434V379-I402 HydrophobicContact CG2-CB 3.88Å; V379-I402 HydrophobicContact CG2-CG2 4.45Å; V379-I402 PolarHBondContact N-O 3.23Å; V379-I402 PolarHBondContact O-N 3.35Å; V379-L404 HydrophobicContact CG1-CD1 3.83Å; V379-L404 HydrophobicContact CG1-CD2 4.19Å; V379-L404 HydrophobicContact CG1-CG 3.95Å; V379-L404 HydrophobicContact CG2-CD2 4.1Å; V379-L404 HydrophobicContact CG2-CG 4.49Å; V379-F427 HydrophobicContact CG2-CE2 4.38Å; V379-F427 HydrophobicContact CG2-CZ 4.21Å; V379-T432 HydrophobicContact CG2-CG2 3.92Å; V379-R433 CarbonylContact C-O 3.49Å; V379-R433 WeakPolarHBondContact CA-O 3.49Å; V379-R433 WeakPolarHBondContact CB-O 3.36Å; V379-V434 HydrophobicContact CG1-CG2 4.38Å
380K96.3Very high76.6Confident96 Ų9693.1 Ų93.142%0.41752%0.517SS..EExtended strand (participates in β ladder)trans-104.8133.8173.1-176.6174179.5178.90109.4I382 G399 L401 T432 R433 L435K380-I382 PolarHBondContact O-N 3.05Å; K380-G399 WeakPolarHBondContact CE-O 3.48Å; K380-L401 HydrophobicContact CB-CD2 3.87Å; K380-L401 HydrophobicContact CD-CD2 4.44Å; K380-L401 HydrophobicContact CG-CD2 4.06Å; K380-T432 CarbonylContact O-C 3.44Å; K380-T432 VanDerWaalsContact O-CA 3.28Å; K380-T432 WeakPolarHBondContact O-CA 3.19Å; K380-R433 PolarHBondContact N-O 2.98Å; K380-R433 PolarHBondContact O-N 3.49Å; K380-L435 HydrophobicContact CB-CD1 4.28Å
381A96.1Very high78.9Confident2 Ų294.5 Ų94.52%0.01752%0.515CS..EExtended strand (participates in β ladder)trans-64.2128.7173.400000111.1F396 K397 G399 D400 Y431A381-F396 HydrophobicContact CB-CD2 3.42Å; A381-F396 VanDerWaalsContact CB-CD2 3.42Å; A381-F396 HydrophobicContact CB-CE2 3.63Å; A381-F396 HydrophobicContact CB-CG 4.49Å; A381-K397 WeakPolarHBondContact CB-O 3.31Å; A381-G399 PolarHBondContact O-N 3.17Å; A381-D400 PolarHBondContact N-O 3Å; A381-Y431 WeakPolarHBondContact CA-O 3.34Å
382I96.9Very high81.7Confident48 Ų4890.7 Ų90.725%0.24650%0.498CS..SBendtrans-104.5-9.6172.457.9166.4000112.5K380 Y431 R433K380-I382 PolarHBondContact O-N 3.05Å; I382-Y431 WeakPolarHBondContact CG1-O 3.36Å; I382-Y431 PolarHBondContact N-O 2.95Å; I382-R433 HydrophobicContact CG2-CB 4.02Å
383F96.2Very high84.4Confident112 Ų11285 Ų8549%0.49147%0.472SS..SBendtrans-140.5160.7169.7-62.1-65000109.4F396 Y431F383-F396 WeakPolarHBondContact O-CE2 3.26Å; F383-Y431 HydrophobicContact CB-CD2 3.7Å; F383-Y431 HydrophobicContact CB-CE2 4.08Å; F383-Y431 HydrophobicContact CB-CG 4.11Å; F383-Y431 PolarHBondContact N-O 3.24Å
384S95.6Very high87Confident70 Ų7074.8 Ų74.849%0.4943%0.434SS..  trans-85.5143.7175.2-58.90000111.4E398 Y431S384-E398 PolarHBondContact OG-N 2.97Å; S384-Y431 WeakPolarHBondContact O-CE2 3.41Å
385H95.1Very high89.4Confident30 Ų3069.6 Ų69.614%0.13941%0.41CS..BIsolated β-bridgetrans-130.5130.5176.8-177-104.9000110.4L394 S395 F396 Y431H385-L394 PolarHBondContact ND1-O 2.87Å; H385-S395 WeakPolarHBondContact O-CA 3.41Å; H385-F396 HydrophobicContact CB-CD1 4.19Å; H385-F396 HydrophobicContact CB-CD2 4.32Å; H385-F396 HydrophobicContact CB-CE1 3.7Å; H385-F396 HydrophobicContact CB-CE2 3.86Å; H385-F396 HydrophobicContact CB-CG 4.49Å; H385-F396 HydrophobicContact CB-CZ 3.53Å; H385-F396 PolarHBondContact N-O 2.95Å; H385-F396 PolarHBondContact O-N 2.77Å; H385-Y431 HydrophobicContact CB-CD2 4.05Å; H385-Y431 HydrophobicContact CB-CE2 4.41Å
386A93.9Very high91.4Very high89 Ų8966.5 Ų66.574%0.73638%0.376SS*.  trans-120115.2179.800000109.9G388A386-G388 VanDerWaalsContact C-N 3.28Å; A386-G388 PolarHBondContact O-N 2.84Å
387A86.7Confident92.8Very high12 Ų1265.8 Ų65.810%0.09938%0.378CS..  trans-74.9-12.7-178.300000114.5D389 N390 L393 S395A387-D389 PolarHBondContact O-N 3.18Å; A387-N390 WeakPolarHBondContact O-CB 3.49Å; A387-N390 PolarHBondContact O-N 3.44Å; A387-N390 VanDerWaalsContact O-N 3.14Å; A387-L393 HydrophobicContact CB-CB 3.57Å; A387-L393 WeakPolarHBondContact CB-O 3.29Å; A387-S395 VanDerWaalsContact CB-OG 3.24Å; A387-S395 WeakPolarHBondContact CB-OG 3.41Å; A387-S395 PolarHBondContact N-OG 2.8Å
388G86.4Confident93.3Very high70 Ų7067.5 Ų67.572%0.72239%0.385SS*.THydrogen-bonded Turntrans62.5-127.3-168.900000111.2A386A386-G388 VanDerWaalsContact C-N 3.28Å; A386-G388 PolarHBondContact O-N 2.84Å
389D86.4Confident93.4Very high164 Ų16465.1 Ų65.188%0.87739%0.386SS*.THydrogen-bonded Turntrans-88.9-3.5175.360.8-22.2000113.7A387 S391A387-D389 PolarHBondContact O-N 3.18Å; D389-S391 PolarHBondContact O-N 3.32Å; D389-S391 VanDerWaalsContact O-N 3.12Å
390N87.9Confident93.4Very high66 Ų6666.1 Ų66.135%0.35339%0.391SS..  trans-77.7101-175.2-170.4-27.6000112.4A387 T392 L393A387-N390 WeakPolarHBondContact O-CB 3.49Å; A387-N390 PolarHBondContact O-N 3.44Å; A387-N390 VanDerWaalsContact O-N 3.14Å; N390-T392 PolarHBondContact O-N 3.43Å; N390-T392 VanDerWaalsContact O-N 3.11Å; N390-T392 WeakPolarHBondContact OD1-CB 3.47Å; N390-T392 PolarHBondContact OD1-N 3.43Å; N390-T392 PolarHBondContact OD1-OG1 2.79Å; N390-L393 HydrophobicContact CB-CB 4.4Å; N390-L393 HydrophobicContact CB-CD1 4.12Å; N390-L393 HydrophobicContact CB-CG 4.21Å; N390-L393 PolarHBondContact O-N 2.91Å; N390-L393 VanDerWaalsContact O-N 3.11Å
391S86.8Confident93.4Very high112 Ų11263.9 Ų63.978%0.78338%0.383SS*.THydrogen-bonded Turntrans-64.8-10.4179.261.90000115.6D389D389-S391 PolarHBondContact O-N 3.32Å; D389-S391 VanDerWaalsContact O-N 3.12Å
392T92.6Very high93.4Very high80 Ų8063.8 Ų63.849%0.49138%0.383SS..THydrogen-bonded Turntrans-88.3-15.8174.972.40000113.1N390 G425 W426N390-T392 PolarHBondContact O-N 3.43Å; N390-T392 VanDerWaalsContact O-N 3.11Å; N390-T392 WeakPolarHBondContact OD1-CB 3.47Å; N390-T392 PolarHBondContact OD1-N 3.43Å; N390-T392 PolarHBondContact OD1-OG1 2.79Å; T392-G425 CarbonylContact O-C 3.55Å; T392-G425 VanDerWaalsContact O-CA 3.29Å; T392-G425 WeakPolarHBondContact O-CA 3.29Å; T392-W426 PolarHBondContact O-N 3.46Å
393L95Very high93.4Very high44 Ų4462.6 Ų62.623%0.2338%0.377CS..BIsolated β-bridgetrans-101.2145-177.8-64.8-176.3000111.4A387 N390 W413 W426A387-L393 HydrophobicContact CB-CB 3.57Å; A387-L393 WeakPolarHBondContact CB-O 3.29Å; N390-L393 HydrophobicContact CB-CB 4.4Å; N390-L393 HydrophobicContact CB-CD1 4.12Å; N390-L393 HydrophobicContact CB-CG 4.21Å; N390-L393 PolarHBondContact O-N 2.91Å; N390-L393 VanDerWaalsContact O-N 3.11Å; L393-W413 HydrophobicContact CD2-CE3 4.42Å; L393-W413 HydrophobicContact CD2-CH2 4.27Å; L393-W413 HydrophobicContact CD2-CZ3 3.75Å; L393-W426 CarbonylContact C-O 3.49Å; L393-W426 WeakPolarHBondContact CA-O 3.46Å; L393-W426 HydrophobicContact CD2-CB 4.02Å
394L95.8Very high93.3Very high3 Ų357.6 Ų57.62%0.01636%0.356CS..PPolyproline II helixtrans-93.8120.6179.6-173.561.1000111.3H385 F396 I402 M423 W426 F427H385-L394 PolarHBondContact ND1-O 2.87Å; L394-F396 HydrophobicContact CD2-CD1 4.39Å; L394-F396 HydrophobicContact CG-CD1 4.14Å; L394-F396 WeakPolarHBondContact O-CD1 3.46Å; L394-I402 HydrophobicContact CD2-CD1 4.16Å; L394-I402 HydrophobicContact CD2-CG1 4.4Å; L394-I402 HydrophobicContact CD2-CG2 3.92Å; L394-M423 HydrophobicContact CD1-CB 3.93Å; L394-M423 WeakPolarHBondContact CD1-O 3.37Å; L394-W426 PolarHBondContact N-O 3.28Å; L394-F427 HydrophobicContact CB-CD1 4.21Å; L394-F427 HydrophobicContact CD2-CD1 3.92Å; L394-F427 HydrophobicContact CD2-CE1 4.18Å
395S94.9Very high93.2Very high55 Ų5556.8 Ų56.839%0.38535%0.346SS..PPolyproline II helixtrans-84.7136.1169.3-66.80000112H385 A387H385-S395 WeakPolarHBondContact O-CA 3.41Å; A387-S395 VanDerWaalsContact CB-OG 3.24Å; A387-S395 WeakPolarHBondContact CB-OG 3.41Å; A387-S395 PolarHBondContact N-OG 2.8Å
396F96.3Very high92.9Very high8 Ų857.6 Ų57.64%0.03535%0.353CS..BIsolated β-bridgetrans-158.1160.7174.453.9-92.2000111.5A381 F383 H385 L394 D400 I402 F427 T432A381-F396 HydrophobicContact CB-CD2 3.42Å; A381-F396 VanDerWaalsContact CB-CD2 3.42Å; A381-F396 HydrophobicContact CB-CE2 3.63Å; A381-F396 HydrophobicContact CB-CG 4.49Å; F383-F396 WeakPolarHBondContact O-CE2 3.26Å; H385-F396 HydrophobicContact CB-CD1 4.19Å; H385-F396 HydrophobicContact CB-CD2 4.32Å; H385-F396 HydrophobicContact CB-CE1 3.7Å; H385-F396 HydrophobicContact CB-CE2 3.86Å; H385-F396 HydrophobicContact CB-CG 4.49Å; H385-F396 HydrophobicContact CB-CZ 3.53Å; H385-F396 PolarHBondContact N-O 2.95Å; H385-F396 PolarHBondContact O-N 2.77Å; L394-F396 HydrophobicContact CD2-CD1 4.39Å; L394-F396 HydrophobicContact CG-CD1 4.14Å; L394-F396 WeakPolarHBondContact O-CD1 3.46Å; F396-D400 HydrophobicContact CB-CB 4.14Å; F396-I402 HydrophobicContact CB-CD1 4.42Å; F396-I402 HydrophobicContact CD1-CD1 3.58Å; F396-I402 HydrophobicContact CD2-CD1 4.19Å; F396-I402 HydrophobicContact CE1-CD1 3.74Å; F396-I402 HydrophobicContact CE2-CD1 4.31Å; F396-I402 HydrophobicContact CG-CD1 3.81Å; F396-I402 HydrophobicContact CZ-CD1 4.1Å; F396-F427 HydrophobicContact CE1-CB 3.5Å; F396-F427 VanDerWaalsContact CE1-CB 3.5Å; F396-F427 HydrophobicContact CE1-CD1 4.45Å; F396-F427 HydrophobicContact CE1-CD2 4.15Å; F396-F427 AromaticContact CE1-CG 3.8Å; F396-F427 HydrophobicContact CE1-CG 3.8Å; F396-F427 HydrophobicContact CZ-CB 4Å; F396-F427 HydrophobicContact CZ-CD2 4.15Å; F396-F427 HydrophobicContact CZ-CG 4.24Å; F396-T432 HydrophobicContact CE2-CG2 4.47Å; F396-T432 HydrophobicContact CZ-CG2 4.3Å
397K96.6Very high92.3Very high142 Ų14257.5 Ų57.562%0.61734%0.344SS*.  trans-100.6158.6172.1-62.6-167.3178-170.20110.8A381 G399 D400A381-K397 WeakPolarHBondContact CB-O 3.31Å; K397-G399 PolarHBondContact O-N 2.75Å; K397-D400 PolarHBondContact N-OD2 3.18Å; K397-D400 VanDerWaalsContact O-CB 3.32Å; K397-D400 WeakPolarHBondContact O-CB 3.31Å; K397-D400 PolarHBondContact O-N 2.72Å
398E95.9Very high92.2Very high130 Ų13064.3 Ų64.361%0.60737%0.374SS*.THydrogen-bonded Turntrans-50133.2168.6-176.6-179.7162.200110.2S384S384-E398 PolarHBondContact OG-N 2.97Å
399G93.9Very high92.2Very high33 Ų3362.9 Ų62.934%0.3436%0.355SS..THydrogen-bonded Turntrans89.4-16.8-176.100000116.1K380 A381 K397K380-G399 WeakPolarHBondContact CE-O 3.48Å; A381-G399 PolarHBondContact O-N 3.17Å; K397-G399 PolarHBondContact O-N 2.75Å
400D95.7Very high92.3Very high22 Ų2263.7 Ų63.712%0.11835%0.346CS..  trans-64145.9177-73.2-23.6000111.2A381 F396 K397 K420A381-D400 PolarHBondContact N-O 3Å; F396-D400 HydrophobicContact CB-CB 4.14Å; K397-D400 PolarHBondContact N-OD2 3.18Å; K397-D400 VanDerWaalsContact O-CB 3.32Å; K397-D400 WeakPolarHBondContact O-CB 3.31Å; K397-D400 PolarHBondContact O-N 2.72Å; D400-K420 WeakPolarHBondContact OD1-CD 3.46Å; D400-K420 IonicContact OD1-NZ 2.74Å; D400-K420 PolarHBondContact OD1-NZ 3.14Å; D400-K420 IonicContact OD2-NZ 3.52Å
401L96.4Very high92.3Very high50 Ų5068.4 Ų68.426%0.26237%0.372SS..EExtended strand (participates in β ladder)trans-93.6137.4176.3-64.7-179.5000111.2K380 E419 L435K380-L401 HydrophobicContact CB-CD2 3.87Å; K380-L401 HydrophobicContact CD-CD2 4.44Å; K380-L401 HydrophobicContact CG-CD2 4.06Å; L401-E419 HydrophobicContact CB-CB 4.28Å; L401-E419 HydrophobicContact CB-CG 4.15Å; L401-E419 PolarHBondContact O-N 3.17Å; L401-L435 HydrophobicContact CD2-CD2 3.93Å
402I96.4Very high92.6Very high0 Ų065 Ų650%035%0.354CS..EExtended strand (participates in β ladder)trans-129.7127.6-179.3-54.3171.2000108.3R378 V379 L394 F396 E417 F427 T432R378-I402 WeakPolarHBondContact CA-O 3.44Å; V379-I402 HydrophobicContact CG2-CB 3.88Å; V379-I402 HydrophobicContact CG2-CG2 4.45Å; V379-I402 PolarHBondContact N-O 3.23Å; V379-I402 PolarHBondContact O-N 3.35Å; L394-I402 HydrophobicContact CD2-CD1 4.16Å; L394-I402 HydrophobicContact CD2-CG1 4.4Å; L394-I402 HydrophobicContact CD2-CG2 3.92Å; F396-I402 HydrophobicContact CB-CD1 4.42Å; F396-I402 HydrophobicContact CD1-CD1 3.58Å; F396-I402 HydrophobicContact CD2-CD1 4.19Å; F396-I402 HydrophobicContact CE1-CD1 3.74Å; F396-I402 HydrophobicContact CE2-CD1 4.31Å; F396-I402 HydrophobicContact CG-CD1 3.81Å; F396-I402 HydrophobicContact CZ-CD1 4.1Å; I402-E417 CarbonylContact C-O 3.53Å; I402-E417 WeakPolarHBondContact CA-O 3.41Å; I402-E417 WeakPolarHBondContact CG2-O 3.4Å; I402-F427 HydrophobicContact CD1-CE1 4.33Å; I402-F427 HydrophobicContact CD1-CE2 4.36Å; I402-F427 HydrophobicContact CD1-CZ 4.22Å; I402-F427 HydrophobicContact CG2-CE1 3.7Å; I402-F427 HydrophobicContact CG2-CZ 3.83Å; I402-T432 HydrophobicContact CD1-CG2 4.14Å
403T96.2Very high92.7Very high22 Ų2266 Ų6614%0.13535%0.349CS..EExtended strand (participates in β ladder)trans-87123.3171.7-68.20000109R376 G416 E417 E419R376-T403 HydrophobicContact CB-CG2 3.54Å; R376-T403 HydrophobicContact CG-CG2 4.18Å; T403-G416 CarbonylContact O-C 3.58Å; T403-G416 WeakPolarHBondContact O-CA 3.25Å; T403-E417 PolarHBondContact N-O 2.63Å; T403-E417 PolarHBondContact O-N 3.48Å; T403-E419 PolarHBondContact OG1-OE1 3Å
404L95Very high92.8Very high8 Ų864.4 Ų64.44%0.04234%0.341CS..EExtended strand (participates in β ladder)trans-69.9132.7175.8-64.6-177000110.5M377 V379 H414 F427M377-L404 HydrophobicContact CB-CB 4.4Å; M377-L404 HydrophobicContact CB-CD1 4.09Å; M377-L404 HydrophobicContact CE-CD1 4.46Å; M377-L404 WeakPolarHBondContact O-CB 3.2Å; M377-L404 PolarHBondContact O-N 3.07Å; V379-L404 HydrophobicContact CG1-CD1 3.83Å; V379-L404 HydrophobicContact CG1-CD2 4.19Å; V379-L404 HydrophobicContact CG1-CG 3.95Å; V379-L404 HydrophobicContact CG2-CD2 4.1Å; V379-L404 HydrophobicContact CG2-CG 4.49Å; L404-H414 HydrophobicContact CD2-CB 4Å; L404-F427 HydrophobicContact CD2-CZ 3.8Å
405L92.6Very high92.8Very high53 Ų5367.6 Ų67.628%0.27735%0.353SS..SBendtrans-100.2-23.4172.7-62.6178.9000111.3Y415 E417 R424L405-Y415 HydrophobicContact CB-CD1 3.97Å; L405-Y415 HydrophobicContact CB-CE1 4.45Å; L405-Y415 HydrophobicContact CD1-CD1 4.11Å; L405-Y415 HydrophobicContact CD1-CE1 3.83Å; L405-Y415 PolarHBondContact N-O 3.33Å; L405-E417 HydrophobicContact CD1-CB 4.33Å; L405-R424 HydrophobicContact CD1-CG 3.94Å
406V89.7Confident92.8Very high46 Ų4665 Ų6528%0.27934%0.335SS..SBendtrans-119.1120168.7-177.20000107.6E408 Y415V406-E408 WeakPolarHBondContact CG1-O 3.34Å; V406-E408 PolarHBondContact O-N 3.43Å; V406-Y415 HydrophobicContact CG2-CD1 4.4Å; V406-Y415 PolarHBondContact N-O 2.86Å
407P80.5Confident92.8Very high87 Ų8766.1 Ų66.157%0.56534%0.34SS*.SBendtrans-61.7-37.6-173.1-26.435.1000114.6M377M377-P407 HydrophobicContact SD-CB 4.21Å
408E84.5Confident92.7Very high156 Ų15659.4 Ų59.473%0.72931%0.311SS*.SBendtrans-106.3142.2-176-67.3171.8173.800110.9V406V406-E408 WeakPolarHBondContact CG1-O 3.34Å; V406-E408 PolarHBondContact O-N 3.43Å
409A87.2Confident92.6Very high39 Ų3956.1 Ų56.132%0.32230%0.295SS..  trans-72.3143.6172.100000110.5W413 H414 F429A409-W413 CarbonylContact C-O 3.52Å; A409-W413 VanDerWaalsContact CA-O 3.24Å; A409-W413 WeakPolarHBondContact CA-O 3.26Å; A409-H414 PolarHBondContact N-CE1 3.11Å; A409-F429 HydrophobicContact CB-CB 4.04Å; A409-F429 HydrophobicContact CB-CG 4.24Å
410R88.1Confident92.5Very high181 Ų18161 Ų6168%0.68331%0.307SS*.BIsolated β-bridgetrans-115.5127.6171.4-67.1-173.5177.2-170.9-2109G412 W413R410-G412 PolarHBondContact O-N 2.83Å; R410-W413 PolarHBondContact N-O 3.43Å; R410-W413 PolarHBondContact O-N 2.9Å
411D89.1Confident92.2Very high166 Ų16663.5 Ų63.589%0.88832%0.323SS*.THydrogen-bonded Turntrans49.934.7179.7-52.2-32.3000114.1W413D411-W413 VanDerWaalsContact O-CD1 3.32Å
412G91.6Very high92.1Very high41 Ų4167.2 Ų67.242%0.42334%0.337SS..THydrogen-bonded Turntrans85.73.8-178.400000115.7R410 F429R410-G412 PolarHBondContact O-N 2.83Å; G412-F429 WeakPolarHBondContact O-CB 3.44Å; G412-F429 PolarHBondContact O-N 3.43Å
413W96.1Very high91.9Very high101 Ų10173.1 Ų73.138%0.38337%0.366SS..EExtended strand (participates in β ladder)trans-114.2137.5-179.3-63.684.6000112.7L393 A409 R410 D411 W426 F427 P428L393-W413 HydrophobicContact CD2-CE3 4.42Å; L393-W413 HydrophobicContact CD2-CH2 4.27Å; L393-W413 HydrophobicContact CD2-CZ3 3.75Å; A409-W413 CarbonylContact C-O 3.52Å; A409-W413 VanDerWaalsContact CA-O 3.24Å; A409-W413 WeakPolarHBondContact CA-O 3.26Å; R410-W413 PolarHBondContact N-O 3.43Å; R410-W413 PolarHBondContact O-N 2.9Å; D411-W413 VanDerWaalsContact O-CD1 3.32Å; W413-W426 HydrophobicContact CB-CE3 3.87Å; W413-W426 HydrophobicContact CB-CZ3 4.41Å; W413-W426 HydrophobicContact CE3-CB 4.09Å; W413-F427 WeakPolarHBondContact CA-O 3.35Å; W413-P428 HydrophobicContact CE3-CG 4.43Å; W413-P428 HydrophobicContact CH2-CG 4.1Å; W413-P428 HydrophobicContact CZ3-CG 3.93Å
414H95.8Very high91.8Very high10 Ų1078.4 Ų78.45%0.04638%0.384CS..EExtended strand (participates in β ladder)trans-102.5155.3166.7-89.5-56.6000111.2L404 A409 W426 F427 F429L404-H414 HydrophobicContact CD2-CB 4Å; A409-H414 PolarHBondContact N-CE1 3.11Å; H414-W426 CarbonylContact O-C 3.55Å; H414-W426 VanDerWaalsContact O-CA 3.26Å; H414-W426 WeakPolarHBondContact O-CA 3.29Å; H414-F427 HydrophobicContact CB-CD1 4.5Å; H414-F427 HydrophobicContact CB-CD2 4.2Å; H414-F427 HydrophobicContact CB-CE1 3.95Å; H414-F427 HydrophobicContact CB-CE2 3.6Å; H414-F427 HydrophobicContact CB-CZ 3.47Å; H414-F427 VanDerWaalsContact CB-CZ 3.47Å; H414-F427 PolarHBondContact N-O 2.89Å; H414-F427 PolarHBondContact O-N 3.43Å; H414-F429 AromaticContact CD2-CD2 3.51Å; H414-F429 AromaticContact NE2-CD2 3.33Å; H414-F429 VanDerWaalsContact NE2-CD2 3.33Å; H414-F429 WeakPolarHBondContact NE2-CD2 3.46Å; H414-F429 AromaticContact NE2-CE2 3.86Å
415Y95.9Very high91.9Very high70 Ų7078 Ų7828%0.27538%0.382SS..EExtended strand (participates in β ladder)trans-117.2126169.4-169-106.2000110.1L405 V406 G425 W426L405-Y415 HydrophobicContact CB-CD1 3.97Å; L405-Y415 HydrophobicContact CB-CE1 4.45Å; L405-Y415 HydrophobicContact CD1-CD1 4.11Å; L405-Y415 HydrophobicContact CD1-CE1 3.83Å; L405-Y415 PolarHBondContact N-O 3.33Å; V406-Y415 HydrophobicContact CG2-CD1 4.4Å; V406-Y415 PolarHBondContact N-O 2.86Å; Y415-G425 VanDerWaalsContact CD2-C 3.42Å; Y415-G425 WeakPolarHBondContact CD2-O 3.34Å; Y415-W426 AromaticContact CD2-CD1 3.74Å; Y415-W426 AromaticContact CD2-CD2 3.69Å; Y415-W426 HydrophobicContact CD2-CD2 3.69Å; Y415-W426 AromaticContact CD2-CE2 3.57Å; Y415-W426 HydrophobicContact CD2-CE3 4.36Å; Y415-W426 AromaticContact CD2-CG 3.8Å; Y415-W426 HydrophobicContact CD2-CG 3.8Å; Y415-W426 HydrophobicContact CD2-CZ2 4.14Å; Y415-W426 AromaticContact CD2-NE1 3.58Å; Y415-W426 AromaticContact CE2-NE1 3.93Å; Y415-W426 HydrophobicContact CG-CD2 4.28Å; Y415-W426 HydrophobicContact CG-CZ2 4.27Å
416G95.6Very high92.1Very high0 Ų079.8 Ų79.80%039%0.385CS..EExtended strand (participates in β ladder)trans-156.1177.5-173.700000113.6T403 R424 G425T403-G416 CarbonylContact O-C 3.58Å; T403-G416 WeakPolarHBondContact O-CA 3.25Å; G416-R424 VanDerWaalsContact O-CA 3.31Å; G416-R424 WeakPolarHBondContact O-CA 3.32Å; G416-G425 PolarHBondContact N-O 3.36Å; G416-G425 PolarHBondContact O-N 2.95Å
417E95.9Very high92.4Very high32 Ų3277.6 Ų77.615%0.1537%0.372CS..EExtended strand (participates in β ladder)trans-115.9126.1176.7-171.5-179.4111.700109.7I402 T403 L405 E419 M423 R424I402-E417 CarbonylContact C-O 3.53Å; I402-E417 WeakPolarHBondContact CA-O 3.41Å; I402-E417 WeakPolarHBondContact CG2-O 3.4Å; T403-E417 PolarHBondContact N-O 2.63Å; T403-E417 PolarHBondContact O-N 3.48Å; L405-E417 HydrophobicContact CD1-CB 4.33Å; E417-E419 PolarHBondContact O-N 3.28Å; E417-M423 WeakPolarHBondContact CA-O 3.46Å; E417-R424 HydrophobicContact CB-CG 3.93Å; E417-R424 HydrophobicContact CG-CG 3.88Å; E417-R424 IonicContact OE2-CZ 3.17Å; E417-R424 IonicContact OE2-NE 2.75Å; E417-R424 PolarHBondContact OE2-NE 3.32Å; E417-R424 IonicContact OE2-NH2 2.72Å; E417-R424 PolarHBondContact OE2-NH2 2.97Å
418S94Very high93.1Very high0 Ų074.3 Ų74.30%035%0.35CS..EExtended strand (participates in β ladder)trans-69.5125.3172.9171.40000109.8K420 T421 K422 M423S418-K420 PolarHBondContact O-N 2.91Å; S418-K420 PolarHBondContact OG-N 3.4Å; S418-T421 WeakPolarHBondContact CB-OG1 3.2Å; S418-T421 PolarHBondContact OG-N 2.65Å; S418-T421 PolarHBondContact OG-OG1 2.99Å; S418-K422 VanDerWaalsContact O-CA 3.25Å; S418-K422 WeakPolarHBondContact O-CA 3.39Å; S418-K422 PolarHBondContact O-N 3.31Å; S418-M423 PolarHBondContact N-O 3.05Å
419E93.9Very high93.6Very high61 Ų6172 Ų7229%0.28534%0.338SS..THydrogen-bonded Turntrans-63.9-25.2179.8-71.5-169.8-167.400112.4R378 L401 T403 E417 K422R378-E419 WeakPolarHBondContact CD-OE1 3.45Å; L401-E419 HydrophobicContact CB-CB 4.28Å; L401-E419 HydrophobicContact CB-CG 4.15Å; L401-E419 PolarHBondContact O-N 3.17Å; T403-E419 PolarHBondContact OG1-OE1 3Å; E417-E419 PolarHBondContact O-N 3.28Å; E419-K422 VanDerWaalsContact O-CE 3.26Å; E419-K422 WeakPolarHBondContact O-CE 3.31Å; E419-K422 PolarHBondContact O-NZ 3.05Å
420K91.4Very high94Very high136 Ų13673.8 Ų73.859%0.59135%0.348SS*.THydrogen-bonded Turntrans-86.3-43.9-174.5-178.4-179.7-173.1177.20113.8D400 S418D400-K420 WeakPolarHBondContact OD1-CD 3.46Å; D400-K420 IonicContact OD1-NZ 2.74Å; D400-K420 PolarHBondContact OD1-NZ 3.14Å; D400-K420 IonicContact OD2-NZ 3.52Å; S418-K420 PolarHBondContact O-N 2.91Å; S418-K420 PolarHBondContact OG-N 3.4Å
421T90.5Very high94.4Very high74 Ų7469.1 Ų69.145%0.45433%0.331SS..THydrogen-bonded Turntrans-102.2-11.5-177.760.30000113.3S418 M423S418-T421 WeakPolarHBondContact CB-OG1 3.2Å; S418-T421 PolarHBondContact OG-N 2.65Å; S418-T421 PolarHBondContact OG-OG1 2.99Å; T421-M423 PolarHBondContact O-N 3.11Å
422K93.5Very high94.7Very high128 Ų12861.8 Ų61.856%0.55729%0.293SS*.  trans56.78.8-171.5-54.7-50.9-170.4-164.10115S418 E419S418-K422 VanDerWaalsContact O-CA 3.25Å; S418-K422 WeakPolarHBondContact O-CA 3.39Å; S418-K422 PolarHBondContact O-N 3.31Å; E419-K422 VanDerWaalsContact O-CE 3.26Å; E419-K422 WeakPolarHBondContact O-CE 3.31Å; E419-K422 PolarHBondContact O-NZ 3.05Å
423M92.1Very high94.9Very high124 Ų12467.3 Ų67.361%0.61130%0.301SS*.  trans-72.6148.5172.5-62-57-70.700110.1L394 E417 S418 T421L394-M423 HydrophobicContact CD1-CB 3.93Å; L394-M423 WeakPolarHBondContact CD1-O 3.37Å; E417-M423 WeakPolarHBondContact CA-O 3.46Å; S418-M423 PolarHBondContact N-O 3.05Å; T421-M423 PolarHBondContact O-N 3.11Å
424R95.3Very high94.7Very high134 Ų13466 Ų6651%0.50630%0.304SS..EExtended strand (participates in β ladder)trans-116.4143.6177-64.3177.2179.4157.57.1109.7L405 G416 E417L405-R424 HydrophobicContact CD1-CG 3.94Å; G416-R424 VanDerWaalsContact O-CA 3.31Å; G416-R424 WeakPolarHBondContact O-CA 3.32Å; E417-R424 HydrophobicContact CB-CG 3.93Å; E417-R424 HydrophobicContact CG-CG 3.88Å; E417-R424 IonicContact OE2-CZ 3.17Å; E417-R424 IonicContact OE2-NE 2.75Å; E417-R424 PolarHBondContact OE2-NE 3.32Å; E417-R424 IonicContact OE2-NH2 2.72Å; E417-R424 PolarHBondContact OE2-NH2 2.97Å
425G95.7Very high94.1Very high0 Ų068.8 Ų68.80%032%0.318CS..EExtended strand (participates in β ladder)trans178.7173.9179.500000112.8T392 Y415 G416T392-G425 CarbonylContact O-C 3.55Å; T392-G425 VanDerWaalsContact O-CA 3.29Å; T392-G425 WeakPolarHBondContact O-CA 3.29Å; Y415-G425 VanDerWaalsContact CD2-C 3.42Å; Y415-G425 WeakPolarHBondContact CD2-O 3.34Å; G416-G425 PolarHBondContact N-O 3.36Å; G416-G425 PolarHBondContact O-N 2.95Å
426W96.7Very high92.8Very high89 Ų8972.4 Ų72.434%0.33734%0.342SS..EExtended strand (participates in β ladder)trans-82.4145.9173.4-65.195.4000111.4T392 L393 L394 W413 H414 Y415T392-W426 PolarHBondContact O-N 3.46Å; L393-W426 CarbonylContact C-O 3.49Å; L393-W426 WeakPolarHBondContact CA-O 3.46Å; L393-W426 HydrophobicContact CD2-CB 4.02Å; L394-W426 PolarHBondContact N-O 3.28Å; W413-W426 HydrophobicContact CB-CE3 3.87Å; W413-W426 HydrophobicContact CB-CZ3 4.41Å; W413-W426 HydrophobicContact CE3-CB 4.09Å; H414-W426 CarbonylContact O-C 3.55Å; H414-W426 VanDerWaalsContact O-CA 3.26Å; H414-W426 WeakPolarHBondContact O-CA 3.29Å; Y415-W426 AromaticContact CD2-CD1 3.74Å; Y415-W426 AromaticContact CD2-CD2 3.69Å; Y415-W426 HydrophobicContact CD2-CD2 3.69Å; Y415-W426 AromaticContact CD2-CE2 3.57Å; Y415-W426 HydrophobicContact CD2-CE3 4.36Å; Y415-W426 AromaticContact CD2-CG 3.8Å; Y415-W426 HydrophobicContact CD2-CG 3.8Å; Y415-W426 HydrophobicContact CD2-CZ2 4.14Å; Y415-W426 AromaticContact CD2-NE1 3.58Å; Y415-W426 AromaticContact CE2-NE1 3.93Å; Y415-W426 HydrophobicContact CG-CD2 4.28Å; Y415-W426 HydrophobicContact CG-CZ2 4.27Å
427F96.4Very high91Very high0 Ų076.6 Ų76.60%037%0.372CS..EExtended strand (participates in β ladder)trans-150.5156.6174.359.5-88.7000112.3V379 L394 F396 I402 L404 W413 H414 F429 T432V379-F427 HydrophobicContact CG2-CE2 4.38Å; V379-F427 HydrophobicContact CG2-CZ 4.21Å; L394-F427 HydrophobicContact CB-CD1 4.21Å; L394-F427 HydrophobicContact CD2-CD1 3.92Å; L394-F427 HydrophobicContact CD2-CE1 4.18Å; F396-F427 HydrophobicContact CE1-CB 3.5Å; F396-F427 VanDerWaalsContact CE1-CB 3.5Å; F396-F427 HydrophobicContact CE1-CD1 4.45Å; F396-F427 HydrophobicContact CE1-CD2 4.15Å; F396-F427 AromaticContact CE1-CG 3.8Å; F396-F427 HydrophobicContact CE1-CG 3.8Å; F396-F427 HydrophobicContact CZ-CB 4Å; F396-F427 HydrophobicContact CZ-CD2 4.15Å; F396-F427 HydrophobicContact CZ-CG 4.24Å; I402-F427 HydrophobicContact CD1-CE1 4.33Å; I402-F427 HydrophobicContact CD1-CE2 4.36Å; I402-F427 HydrophobicContact CD1-CZ 4.22Å; I402-F427 HydrophobicContact CG2-CE1 3.7Å; I402-F427 HydrophobicContact CG2-CZ 3.83Å; L404-F427 HydrophobicContact CD2-CZ 3.8Å; W413-F427 WeakPolarHBondContact CA-O 3.35Å; H414-F427 HydrophobicContact CB-CD1 4.5Å; H414-F427 HydrophobicContact CB-CD2 4.2Å; H414-F427 HydrophobicContact CB-CE1 3.95Å; H414-F427 HydrophobicContact CB-CE2 3.6Å; H414-F427 HydrophobicContact CB-CZ 3.47Å; H414-F427 VanDerWaalsContact CB-CZ 3.47Å; H414-F427 PolarHBondContact N-O 2.89Å; H414-F427 PolarHBondContact O-N 3.43Å; F427-F429 PolarHBondContact O-N 3.24Å; F427-T432 HydrophobicContact CD2-CG2 3.81Å; F427-T432 HydrophobicContact CE2-CG2 3.45Å; F427-T432 VanDerWaalsContact CE2-CG2 3.45Å; F427-T432 HydrophobicContact CZ-CG2 4.41Å
428P96.5Very high88.5Confident18 Ų1882.7 Ų82.712%0.11741%0.405CS..EExtended strand (participates in β ladder)trans-65.6130.6179.8-19.332.3000111.5W413 S430 Y431W413-P428 HydrophobicContact CE3-CG 4.43Å; W413-P428 HydrophobicContact CH2-CG 4.1Å; W413-P428 HydrophobicContact CZ3-CG 3.93Å; P428-S430 VanDerWaalsContact C-N 3.26Å; P428-S430 PolarHBondContact O-N 3.08Å; P428-Y431 HydrophobicContact CB-CD1 3.66Å; P428-Y431 HydrophobicContact CB-CE1 4.13Å; P428-Y431 HydrophobicContact CB-CG 4.21Å; P428-Y431 HydrophobicContact CG-CD1 4.06Å; P428-Y431 HydrophobicContact CG-CE1 4.24Å; P428-Y431 HydrophobicContact CG-CG 4.37Å; P428-Y431 WeakPolarHBondContact O-CB 3.24Å; P428-Y431 PolarHBondContact O-N 3.5Å; P428-Y431 VanDerWaalsContact O-N 3.11Å
429F94.8Very high86.2Confident108 Ų10886.2 Ų86.247%0.47444%0.442SS..G310 helixtrans-54.5-43.1177.9163.8-123.4000112.2A409 G412 H414 F427 Y431 T432A409-F429 HydrophobicContact CB-CB 4.04Å; A409-F429 HydrophobicContact CB-CG 4.24Å; G412-F429 WeakPolarHBondContact O-CB 3.44Å; G412-F429 PolarHBondContact O-N 3.43Å; H414-F429 AromaticContact CD2-CD2 3.51Å; H414-F429 AromaticContact NE2-CD2 3.33Å; H414-F429 VanDerWaalsContact NE2-CD2 3.33Å; H414-F429 WeakPolarHBondContact NE2-CD2 3.46Å; H414-F429 AromaticContact NE2-CE2 3.86Å; F427-F429 PolarHBondContact O-N 3.24Å; F429-Y431 PolarHBondContact O-N 3.45Å; F429-T432 PolarHBondContact O-N 3.12Å; F429-T432 VanDerWaalsContact O-N 3.12Å; F429-T432 PolarHBondContact O-OG1 3.4Å
430S95.6Very high83.3Confident77 Ų7788.9 Ų88.954%0.53847%0.467SS..G310 helixtrans-62.5-10.4-179.652.20000115P428P428-S430 VanDerWaalsContact C-N 3.26Å; P428-S430 PolarHBondContact O-N 3.08Å
431Y96.9Very high81.1Confident83 Ų8390.2 Ų90.233%0.32548%0.481SS..G310 helixtrans-90.3-1.5178.7-7948.7000112.6A381 I382 F383 S384 H385 P428 F429A381-Y431 WeakPolarHBondContact CA-O 3.34Å; I382-Y431 WeakPolarHBondContact CG1-O 3.36Å; I382-Y431 PolarHBondContact N-O 2.95Å; F383-Y431 HydrophobicContact CB-CD2 3.7Å; F383-Y431 HydrophobicContact CB-CE2 4.08Å; F383-Y431 HydrophobicContact CB-CG 4.11Å; F383-Y431 PolarHBondContact N-O 3.24Å; S384-Y431 WeakPolarHBondContact O-CE2 3.41Å; H385-Y431 HydrophobicContact CB-CD2 4.05Å; H385-Y431 HydrophobicContact CB-CE2 4.41Å; P428-Y431 HydrophobicContact CB-CD1 3.66Å; P428-Y431 HydrophobicContact CB-CE1 4.13Å; P428-Y431 HydrophobicContact CB-CG 4.21Å; P428-Y431 HydrophobicContact CG-CD1 4.06Å; P428-Y431 HydrophobicContact CG-CE1 4.24Å; P428-Y431 HydrophobicContact CG-CG 4.37Å; P428-Y431 WeakPolarHBondContact O-CB 3.24Å; P428-Y431 PolarHBondContact O-N 3.5Å; P428-Y431 VanDerWaalsContact O-N 3.11Å; F429-Y431 PolarHBondContact O-N 3.45Å
432T95.6Very high78.4Confident12 Ų1297.5 Ų97.57%0.07450%0.5CS..EExtended strand (participates in β ladder)trans-135.3161.7-176.367.70000112.9V379 K380 F396 I402 F427 F429V379-T432 HydrophobicContact CG2-CG2 3.92Å; K380-T432 CarbonylContact O-C 3.44Å; K380-T432 VanDerWaalsContact O-CA 3.28Å; K380-T432 WeakPolarHBondContact O-CA 3.19Å; F396-T432 HydrophobicContact CE2-CG2 4.47Å; F396-T432 HydrophobicContact CZ-CG2 4.3Å; I402-T432 HydrophobicContact CD1-CG2 4.14Å; F427-T432 HydrophobicContact CD2-CG2 3.81Å; F427-T432 HydrophobicContact CE2-CG2 3.45Å; F427-T432 VanDerWaalsContact CE2-CG2 3.45Å; F427-T432 HydrophobicContact CZ-CG2 4.41Å; F429-T432 PolarHBondContact O-N 3.12Å; F429-T432 VanDerWaalsContact O-N 3.12Å; F429-T432 PolarHBondContact O-OG1 3.4Å
433R94.8Very high75.6Confident157 Ų15799 Ų9959%0.59251%0.514SS*.EExtended strand (participates in β ladder)trans-132.6138.8174.9-172.2-179.2-63.5169.51.8109.8V379 K380 I382V379-R433 CarbonylContact C-O 3.49Å; V379-R433 WeakPolarHBondContact CA-O 3.49Å; V379-R433 WeakPolarHBondContact CB-O 3.36Å; K380-R433 PolarHBondContact N-O 2.98Å; K380-R433 PolarHBondContact O-N 3.49Å; I382-R433 HydrophobicContact CG2-CB 4.02Å
434V91.4Very high72.9Confident73 Ų7399.5 Ų99.544%0.44251%0.514SS..EExtended strand (participates in β ladder)trans-58.3138.8175.9-177.20000110.4V379V379-V434 HydrophobicContact CG1-CG2 4.38Å
435L84.8Confident70Confident68 Ų68101.9 Ų101.936%0.35653%0.533SS..EExtended strand (participates in β ladder)trans-113.7100.1177.4-157.281.6000108.8R378 K380 L401R378-L435 PolarHBondContact O-N 3.33Å; K380-L435 HydrophobicContact CB-CD1 4.28Å; L401-L435 HydrophobicContact CD2-CD2 3.93Å
436D68.2Low66.7Low146 Ų146105.1 Ų105.178%0.78156%0.556SS**  trans-65.7137.1176.6-68.6-41.5000110.5
437S57.5Low63.7Low88 Ų88108.5 Ų108.562%0.61558%0.579SS**  trans-112.744-168.1-170.50000112.3R378R378-S437 PolarHBondContact NH2-OG 3.41Å
438D42.3Very low60.5Low160 Ų160116 Ų11686%0.85662%0.615SS**  trans-148.2145.2160.7-149.7-4.3000112.4
439G46.6Very low57.6Low75 Ų75124.4 Ų124.477%0.77365%0.652SS**  trans-97.3101.8-17200000112.8
440S33.6Very low54.4Low116 Ų116122 Ų12281%0.81166%0.659SS**  trans-144.9126157.773.60000111.5R442S440-R442 PolarHBondContact O-N 3.41Å
441D44.1Very low51.7Low165 Ų165128.3 Ų128.388%0.88268%0.676SS**  trans-71.8119.2176.9-85.5-51.9000111.4
442R33.8Very low48.4Very low227 Ų227130.2 Ų130.286%0.85770%0.702SS**  trans-170.3109.6143.5-109.8160.4172.3-174.9-4.5113.5S440S440-R442 PolarHBondContact O-N 3.41Å
443L35.3Very low45.3Very low160 Ų160135.4 Ų135.484%0.83874%0.739SS**  trans37.8133.4140.5-50.9172000119.5
444H35.6Very low42.3Very low133 Ų133133 Ų13362%0.61675%0.746SS**  cis-173.3108.3-10.2172-87.3000107.1
445M33Very low39.6Very low184 Ų184136.6 Ų136.691%0.90677%0.768SS**  trans-134.862.5162.2-92-64.6107.800109.6L447M445-L447 PolarHBondContact O-N 2.99Å; M445-L447 VanDerWaalsContact O-N 3.15Å
446S28.4Very low37.1Very low69 Ų69136.3 Ų136.348%0.48378%0.782SS.*  trans-74.798.8175.1-164.90000109.8Q448S446-Q448 PolarHBondContact O-N 2.99Å; S446-Q448 VanDerWaalsContact OG-CG 3.29Å; S446-Q448 WeakPolarHBondContact OG-CG 3.44Å
447L33.5Very low35.7Very low159 Ų159136.9 Ų136.983%0.83278%0.784SS**  trans-73.278.3158.2-174.169.5000107.7M445 Q449M445-L447 PolarHBondContact O-N 2.99Å; M445-L447 VanDerWaalsContact O-N 3.15Å; L447-Q449 PolarHBondContact O-N 3.06Å
448Q28.3Very low34.6Very low159 Ų159140.8 Ų140.874%0.74380%0.798SS**  trans-62.7131171.2-71.3-169-39.300109.5S446 G450S446-Q448 PolarHBondContact O-N 2.99Å; S446-Q448 VanDerWaalsContact OG-CG 3.29Å; S446-Q448 WeakPolarHBondContact OG-CG 3.44Å; Q448-G450 PolarHBondContact O-N 2.91Å
449Q36.3Very low34.6Very low193 Ų193140.3 Ų140.390%0.90279%0.794SS**  trans-66.887160.4-76.8172.3-5200108.8L447 K451L447-Q449 PolarHBondContact O-N 3.06Å; Q449-K451 PolarHBondContact O-N 3.15Å
450G27.2Very low33.9Very low59 Ų59144.6 Ų144.661%0.60880%0.8SS**  trans-67.396.3167.900000110Q448 S452Q448-G450 PolarHBondContact O-N 2.91Å; G450-S452 VanDerWaalsContact C-N 3.33Å; G450-S452 PolarHBondContact O-N 3.45Å
451K38.5Very low34.1Very low209 Ų209147.6 Ų147.691%0.90980%0.798SS**  trans-61.595.4164.1-69179.4179.8178.20108.5Q449Q449-K451 PolarHBondContact O-N 3.15Å
452S28Very low33.6Very low123 Ų123146.2 Ų146.286%0.8679%0.79SS**  trans-96.794.4172.9-63.20000109.4G450G450-S452 VanDerWaalsContact C-N 3.33Å; G450-S452 PolarHBondContact O-N 3.45Å
453S30.8Very low33.8Very low121 Ų121142.6 Ų142.685%0.84679%0.788SS**  trans-111.3110.4161.8-179.60000107.5
454S30.9Very low33.8Very low106 Ų106143.2 Ų143.274%0.74179%0.791SS**  trans176.4110.4145.5-174.50000110.1
455T34.9Very low34Very low149 Ų149142 Ų14291%0.91480%0.804SS**  trans-124.777.7149.752.70000106.4
456G32.7Very low34.3Very low62 Ų62140.6 Ų140.664%0.63980%0.799SS**  trans-73147.5171.400000111L458G456-L458 PolarHBondContact O-N 2.99Å
457N37.7Very low34.9Very low157 Ų157142.5 Ų142.584%0.8481%0.81SS**  trans-52135.5179-84.9-12.1000112.6L459N457-L459 PolarHBondContact O-N 2.99Å
458L35.8Very low35.4Very low171 Ų171140.4 Ų140.490%0.89581%0.806SS**  trans-96.873.5162.3-16874.1000109.7G456G456-L458 PolarHBondContact O-N 2.99Å
459L41.5Very low35.9Very low149 Ų149138.3 Ų138.378%0.7881%0.806SS**  trans-136.986.4159.4-78.1178.7000106.7N457N457-L459 PolarHBondContact O-N 2.99Å
460D32.7Very low35.9Very low166 Ų166137 Ų13789%0.88881%0.805SS**  trans-162.3163.4134.6-107.9-38.9000111.8
461K38Very low36.6Very low178 Ų178145.4 Ų145.477%0.77482%0.82SS**  trans-101.2145.6-161.7-152.4-173.7173.2-160.40110.5
462D33.4Very low36.3Very low136 Ų136139.1 Ų139.173%0.72782%0.815SS**  159.5164.5123.5-80.6-19.6000113.7
463D37.2Very low36.7Very low151 Ų151138.4 Ų138.481%0.80782%0.817SS**  trans-73.4134.7-154.7-65-69.2000117.1
464L34.8Very low36.7Very low173 Ų173137.5 Ų137.591%0.90682%0.816SS**  trans-139.6116.4146.6-76.7179.8000110.1
465A40.8Very low37Very low107 Ų107138.1 Ų138.188%0.88482%0.82SS**  trans-78.8133.6-174.700000113
466I39.1Very low37Very low155 Ų155143.2 Ų143.280%0.79582%0.823SS**  trans-129.5131169.2-56.8177.8000107.1
467P41.3Very low36.9Very low110 Ų110145 Ų14571%0.71483%0.832SS**PPolyproline II helixtrans-71.8151.7-177.429.6-35.2000112.4
468P44.1Very low36.8Very low115 Ų115147.1 Ų147.175%0.74783%0.834SS**PPolyproline II helixtrans-75151.8-177.631.6-35.6000112.5
469P37.8Very low37Very low115 Ų115144.9 Ų144.975%0.74783%0.83SS**PPolyproline II helixtrans-83129.2176.232-33.1000112.4Y471P469-Y471 PolarHBondContact O-N 3.33Å
470D37.3Very low36.5Very low166 Ų166142 Ų14289%0.88883%0.827SS**PPolyproline II helixtrans-72.1120.7175-76.6-42.5000112.4
471Y40.6Very low36.4Very low234 Ų234142.5 Ų142.592%0.91882%0.824SS**  trans-110.4108.6160.8-98.3-87.9000109.3P469P469-Y471 PolarHBondContact O-N 3.33Å
472G33.3Very low36Very low78 Ų78139.8 Ų139.880%0.80482%0.823SS**  trans-131.8102.3178.500000111.8
473A35.4Very low35.8Very low108 Ų108139.1 Ų139.189%0.89382%0.824SS**  trans-88.6135.1171.800000110.8
474A32.2Very low35.5Very low102 Ų102137.8 Ų137.884%0.84383%0.826SS**  trans-148.5126.4164.900000111.3
475S35.7Very low35.3Very low118 Ų118133.5 Ų133.583%0.82582%0.824SS**  trans-130115.2169-67.50000108.8
476R34.8Very low34.8Very low256 Ų256137.9 Ų137.997%0.96682%0.823SS**  trans178155.6142.3-106.4169.5176.7166.60115.3
477A30.9Very low34.5Very low100 Ų100139.4 Ų139.483%0.82682%0.824SS**  trans85.1117.1155.400000119.5
478F35.9Very low34Very low201 Ų201143 Ų14388%0.88283%0.832SS**  trans-88.2163.8160.1-69.7-88.5000110
479P40.4Very low33.4Very low125 Ų125148.6 Ų148.681%0.81284%0.838SS**  -146.7154.69436.4-19.3000117.8
480A31Very low33.6Very low88 Ų88148.4 Ų148.473%0.72784%0.836SS**  trans60.9119.4142.700000124.7
481Q31.4Very low33.3Very low177 Ų177151.3 Ų151.383%0.82784%0.837SS**  trans69.6108.3131.8-77.6-171-7.700122.8
482T28.7Very low32.9Very low120 Ų120146.1 Ų146.174%0.73683%0.834SS**  153.1146.6104.4470000115.5
483T29.5Very low32.9Very low123 Ų123149 Ų14976%0.75584%0.836SS**  trans57.8117.2156.453.60000123.5
484S30.4Very low32.6Very low122 Ų122148.7 Ų148.785%0.85383%0.833SS**  trans57.5123.3135.964.10000122.1
485G31.5Very low32.5Very low83 Ų83150.3 Ų150.386%0.85683%0.832SS**  trans-179.985.7167.200000114.7
486F29.2Very low33.2Very low200 Ų200150.3 Ų150.388%0.87783%0.83SS**  trans-74.6126.7-178.1-133.6-97.9000112.3
487K33.3Very low32.8Very low187 Ų187143 Ų14381%0.81382%0.824SS**  155.1122.6125.2-83.9170.3-174173.40115
488Q30.7Very low32.7Very low186 Ų186148 Ų14887%0.86983%0.828SS**  trans-110.3144.9151.4-89.8-95-7.300107.6
489R32.1Very low32.5Very low232 Ų232142.8 Ų142.888%0.87582%0.816SS**  trans-155.9155.9171.7-101.7-147.2173-174.6-1.1111.7
490P42.3Very low32Very low111 Ų111146.3 Ų146.372%0.72182%0.822SS**  -136.7-174.6-121.939.9-21.1000115.1
491Y30.6Very low31.8Very low227 Ų227145.6 Ų145.689%0.8982%0.824SS**  trans-57.1149.7156.6-84.9-98.2000112.2
492S30.9Very low31.8Very low124 Ų124145 Ų14587%0.86783%0.825SS**  trans-163.8154.1141.3-131.30000113.2
493V34.4Very low31.9Very low138 Ų138146.8 Ų146.884%0.83683%0.83SS**  trans-105.7150.1179.3-75.20000111.4
494A29.4Very low32Very low102 Ų102147.3 Ų147.384%0.84383%0.828SS**  trans-161149.9163.800000112.8
495V28.4Very low32.1Very low136 Ų136152.1 Ų152.182%0.82483%0.829SS**  trans-154.2167.9-176.5-166.70000106.3
496P51.6Low32Very low119 Ų119151.6 Ų151.677%0.77382%0.823SS**  -117.2-178.6-56.238.8-25.3000113.1
497A26.6Very low32.2Very low103 Ų103147.2 Ų147.285%0.85182%0.824SS**  trans-150.6149.3157.400000114.3
498F29.1Very low32.4Very low203 Ų203150.3 Ų150.389%0.8983%0.831SS**  trans-65.5148.8-170.6-98.2-104.7000119.2
499S31.1Very low32.4Very low92 Ų92147.3 Ų147.364%0.64383%0.83SS**  140.8125.2113.9-86.10000119.7
500Q30.1Very low32.5Very low199 Ų199145.3 Ų145.393%0.9383%0.833SS**  trans69147.3140.1-68.1-179-67.100124.6
501G27.4Very low32.1Very low74 Ų74146.2 Ų146.276%0.76384%0.842SS**  trans103.595.1176.700000112.1
502L29.5Very low32.5Very low163 Ų163145.6 Ų145.685%0.85384%0.838SS**  5994.852.3-16278.3000113.7
503D32.3Very low33.4Very low159 Ų159145.5 Ų145.585%0.8583%0.828SS**  -167.4166.5115.8-99.3-31.1000112.6
504D31.2Very low34Very low133 Ų133144.3 Ų144.371%0.71182%0.823SS**  trans-94.2156.9-162.7-174.929.3000114.5
505Y32.7Very low34.6Very low224 Ų224147.4 Ų147.488%0.87882%0.818SS**  trans170.8122.6132-110.5-89.5000110.4
506G29.2Very low35.4Very low71 Ų71144.4 Ų144.473%0.73281%0.808SS**  trans-104.1175.2-171.400000116.6
507A33.4Very low35.1Very low108 Ų108146.6 Ų146.689%0.89381%0.807SS**  trans-146138.616100000110.8
508R36.4Very low35.7Very low253 Ų253147.1 Ų147.196%0.95580%0.799SS**  trans-88.2146.1179.2-67.5173.1171.7170.1-3.3111.3
509S32Very low36.2Very low123 Ų123146.5 Ų146.586%0.8680%0.799SS**  trans-155.9138.3132.9-167.80000110.8
510M33.8Very low36.7Very low189 Ų189149.8 Ų149.893%0.93181%0.809SS**  trans-110.8142.8172.3-64.8-163-169.100109.5
511S34.2Very low37.3Very low131 Ų131149.6 Ų149.692%0.91681%0.805SS**  trans-127.9133.2158.7-173.10000109.4
512R39Very low38Very low213 Ų213152 Ų15280%0.80481%0.807SS**  trans-111.3129.3-163.9-177.7-180177.7-171.3-0.5110.2
513N48.7Very low38.4Very low123 Ų123150.5 Ų150.566%0.65881%0.805SS**  trans-73.7126.5-177.6-162.4-7.7000111.1F515N513-F515 VanDerWaalsContact C-N 3.35Å; N513-F515 PolarHBondContact O-N 3.15Å
514P48.5Very low38.6Very low112 Ų112149 Ų14973%0.72780%0.801SS**THydrogen-bonded Turntrans-78.9-2.1-16829-36.2000116.5
515F42Very low38.9Very low168 Ų168148.4 Ų148.474%0.73780%0.803SS**THydrogen-bonded Turntrans-97.918.6-175-66.9-75.6000115.4N513 H517N513-F515 VanDerWaalsContact C-N 3.35Å; N513-F515 PolarHBondContact O-N 3.15Å; F515-H517 PolarHBondContact O-N 3.41Å; F515-H517 VanDerWaalsContact O-N 3.08Å
516A44.6Very low38.9Very low73 Ų73145.1 Ų145.160%0.60380%0.8SS**  trans-70.3-2.5-171.700000116.4
517H44.7Very low39.1Very low164 Ų164149.4 Ų149.476%0.75981%0.806SS**  trans-137.273.8-178.5-68.5-71.4000113.1F515F515-H517 PolarHBondContact O-N 3.41Å; F515-H517 VanDerWaalsContact O-N 3.08Å
518V39.8Very low39.1Very low114 Ų114154.7 Ų154.769%0.69180%0.803SS**  trans-126.8101.8158.4-177.60000108.1
519Q39.6Very low39Very low190 Ų190148.1 Ų148.189%0.88879%0.794SS**  trans-90.4115.6172.8-72.8-176.6-500109.6
520L42.1Very low39Very low161 Ų161148.7 Ų148.784%0.84379%0.788SS**PPolyproline II helixtrans-92131.9166.3-66.4173.8000109.2
521K42.4Very low39Very low196 Ų196147.2 Ų147.285%0.85278%0.783SS**PPolyproline II helixtrans-74.4143.7177.8-71.9-177.7176.6179.20110.6
522P42.8Very low38.9Very low125 Ų125146.9 Ų146.981%0.81278%0.781SS**PPolyproline II helixtrans-66.5135.7173.1-17.731.2000111.8
523T36.7Very low38.6Very low131 Ų131142.8 Ų142.880%0.80478%0.78SS**PPolyproline II helixtrans-85.5129.6167.5-46.70000109.2
524V36.7Very low37.9Very low126 Ų126146.3 Ų146.376%0.76479%0.792SS**PPolyproline II helixtrans-90128.5175.8177.20000109.3
525T36.8Very low37.1Very low122 Ų122144.1 Ų144.175%0.74879%0.79SS**  trans-111.6125.9166.147.20000109.2
526N33.9Very low37.5Very low155 Ų155141.6 Ų141.683%0.82979%0.79SS**  trans-77.8121177.6-97.4-14.8000110.5
527D33.9Very low37Very low160 Ų160146.6 Ų146.686%0.85680%0.801SS**  trans-89.1128.5156.9-71.9-45.8000109.2
528R33.2Very low36.5Very low220 Ų220142.5 Ų142.583%0.8380%0.804SS**  trans-144.3110.7164.4-171.1170.1179.51523.6110.5D530R528-D530 IonicContact NE-OD2 2.68Å
529C33.4Very low36.2Very low114 Ų114147 Ų14777%0.7781%0.808SS**  trans-70.9149.1163.9-52.60000109.8
530D32.6Very low36Very low135 Ų135144.9 Ų144.972%0.72280%0.798SS**  trans-144.4132.2148.8-95.2-48.5000109R528R528-D530 IonicContact NE-OD2 2.68Å
531L33.3Very low35.7Very low158 Ų158146.2 Ų146.283%0.82780%0.8SS**  trans-85.3143.3165.7-78.481.2000108.2
532S31.9Very low35.4Very low124 Ų124140.1 Ų140.187%0.86779%0.793SS**  trans-154.6141.7138.248.50000113.3
533T33.7Very low35.1Very low128 Ų128142.6 Ų142.679%0.78580%0.8SS**  trans-85.1144.7-175-34.30000111.3
534Q32.9Very low35Very low196 Ų196139.2 Ų139.292%0.91679%0.791SS**  trans-176.9136132.8-101.9161.529.700112.5
535G31.4Very low35.1Very low66 Ų66138.9 Ų138.968%0.6879%0.794SS**  trans-91.4-158.915800000110.6
536P51.5Low35.2Very low116 Ų116137.7 Ų137.775%0.75380%0.797SS**  cis-147.1-175.730.144.3-24.7000117.8
537E34.3Very low35.7Very low177 Ų177138.8 Ų138.883%0.82780%0.796SS**  trans69.8134.9149.1-80.3-176.7143.700123.4
538G32.8Very low36.2Very low79 Ų79138.2 Ų138.281%0.81479%0.792SS**  trans159.288.2174.500000114.2
539R33.9Very low36.9Very low207 Ų207135 Ų13578%0.78179%0.79SS**  trans-50.2166165.6-72.5173.3-128.3167.21.6113
540E35.8Very low37.4Very low147 Ų147133.8 Ų133.869%0.68779%0.788SS**  cis-165.7162.527.8-139.1148.5-137.800113.9
541H36.2Very low38Very low188 Ų188131.1 Ų131.187%0.8779%0.792SS**  trans13.1150.7159.2-72.4-54.8000127.5
542G35.9Very low38.8Very low69 Ų69139 Ų13971%0.71181%0.811SS**  trans123.285.4153.800000113.6
543D35.5Very low39.1Very low177 Ų177139.8 Ų139.895%0.94781%0.809SS**  63.5139.873.1-16121.6000115.2
544G34.7Very low39.4Very low60 Ų60140.4 Ų140.462%0.61981%0.81SS**  trans126.778.6168.500000119
545S39Very low39.8Very low118 Ų118137.3 Ų137.383%0.82580%0.804SS**  trans61.4111.5139.1-58.10000121.9
546A39.9Very low40.3Very low98 Ų98141.5 Ų141.581%0.8181%0.811SS**  trans-75.7149151.200000111.3
547H44.7Very low39.6Very low178 Ų178143.1 Ų143.182%0.82482%0.815SS**  trans-119.3123.2167.4-116.2-72.8000111
548I44.6Very low39.9Very low148 Ų148140.9 Ų140.976%0.75981%0.814SS**  trans-105.6134.2169.3-67.6176.1000108
549L46.9Very low40.4Very low152 Ų152145.3 Ų145.380%0.79681%0.814SS**  trans-172.7111.2154.9-96.1140.2000105.2
550A45.1Very low40.9Very low88 Ų88140.5 Ų140.573%0.72782%0.817SS**  72.19653.900000114.1
551G45.2Very low41.4Very low79 Ų79140 Ų14081%0.81483%0.827SS**  trans84.5100.4137.600000119.8
552R48.8Very low41.8Very low325 Ų325135.6 Ų135.6100%1.22682%0.823SS**  -155.80117.8-114.5-177.9-172.6-155.21.6111.6

Retrieved 552 of 552 residues in 125.3 ms (Link to these results)

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