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ADP-ribosylation factor-like protein 8B

Small GTPase which cycles between active GTP-bound and inactive GDP-bound states. In its active state, binds to a variety of effector proteins playing a key role in the regulation of lysosomal positioning which is important for nutrient sensing, natural killer cell-mediated cytotoxicity and antigen presentation. Along with its effectors, orchestrates lysosomal transport and fusion. Localizes specifically to lysosomal membranes and mediates anterograde lysosomal motility by recruiting PLEKHM2, which in turn recruits the motor protein kinesin-1 on lysosomes. Required for lysosomal and cytolytic granule exocytosis. Critical factor involved in NK cell-mediated cytotoxicity. Drives the polarization of cytolytic granules and microtubule-organizing centers (MTOCs) toward the immune synapse between effector NK lymphocytes and target cells (By similarity). In neurons, mediates the anterograde axonal long-range transport of presynaptic lysosome-related vesicles required for presynaptic biogenesis and synaptic function (By similarity). Also acts as a regulator of endosome to lysosome trafficking pathways of special significance for host defense (By similarity). Recruits RUFY1 onto early endosomes regulating endosomes to trans-Golgi network proteins retrieval (By similarity). Regulates cargo trafficking to lysosomes by binding to PLEKHM1 and recruiting the HOPS subunit VPS41, resulting in functional assembly of the HOPS complex on lysosomal membranes. Plays an important role in cargo delivery to lysosomes for antigen presentation and microbial killing. Directs the intersection of CD1d with lipid antigens in lysosomes, and plays a role in intersecting phagosomes with lysosomes to generate phagolysosomes that kill microbes (By similarity). Involved in the process of MHC II presentation. Regulates the delivery of antigens to lysosomes and the formation of MHC II-peptide complexes through the recruitment of the HOPS complex to lysosomes allowing the fusion of late endosomes to lysosomes (By similarity). May play a role in chromosome segregation (By similarity).

AlphaFold DB , UniProt , Accession Q66HA6, Species RAT (Rattus norvegicus, Rat), Gene Arl8b, Length 186 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
1M68.1Low78.6Confident194 Ų194116 Ų11696%0.95658%0.584SS**  0-52.70-158.5174.2-82.700112A3 L4 I5M1-A3 PolarHBondContact O-N 2.85Å; M1-L4 WeakPolarHBondContact O-CB 3.4Å; M1-L4 PolarHBondContact O-N 3.26Å; M1-I5 HydrophobicContact CG-CD1 4.22Å; M1-I5 PolarHBondContact O-N 3.39Å; M1-I5 VanDerWaalsContact O-N 3.1Å
2L80.3Confident78.3Confident151 Ų151114 Ų11479%0.79157%0.569SS**Hα-helixtrans-53.8-43.7177.2-76.1156.8000114.3L4 I5 S6L2-L4 VanDerWaalsContact C-N 3.29Å; L2-L4 PolarHBondContact O-N 3.05Å; L2-I5 PolarHBondContact O-N 3.31Å; L2-S6 WeakPolarHBondContact O-CB 3.46Å; L2-S6 PolarHBondContact O-N 3.05Å; L2-S6 PolarHBondContact O-OG 2.8Å
3A82.6Confident77.5Confident65 Ų65116.5 Ų116.554%0.53757%0.567SS.*Hα-helixtrans-65.7-27.7177.600000114.1M1 S6 R7M1-A3 PolarHBondContact O-N 2.85Å; A3-S6 WeakPolarHBondContact CA-OG 3.45Å; A3-S6 PolarHBondContact O-OG 3.38Å; A3-S6 VanDerWaalsContact O-OG 3.05Å; A3-R7 WeakPolarHBondContact O-CB 3.29Å; A3-R7 VanDerWaalsContact O-CG 3.25Å; A3-R7 WeakPolarHBondContact O-CG 3.37Å; A3-R7 PolarHBondContact O-N 2.8Å
4L83Confident76.8Confident123 Ų123112.6 Ų112.664%0.64456%0.558SS**Hα-helixtrans-75.9-44.1176-172.473.2000109.9M1 L2 R7 L8M1-L4 WeakPolarHBondContact O-CB 3.4Å; M1-L4 PolarHBondContact O-N 3.26Å; L2-L4 VanDerWaalsContact C-N 3.29Å; L2-L4 PolarHBondContact O-N 3.05Å; L4-R7 PolarHBondContact O-N 3.29Å; L4-L8 WeakPolarHBondContact O-CB 3.25Å; L4-L8 PolarHBondContact O-N 3.4Å
5I88.9Confident76.1Confident85 Ų85112.2 Ų112.244%0.43656%0.558SS.*Hα-helixtrans-63.6-42.3176.2-64170.1000110.5M1 L2 L8 L9M1-I5 HydrophobicContact CG-CD1 4.22Å; M1-I5 PolarHBondContact O-N 3.39Å; M1-I5 VanDerWaalsContact O-N 3.1Å; L2-I5 PolarHBondContact O-N 3.31Å; I5-L8 PolarHBondContact O-N 3.1Å; I5-L9 HydrophobicContact CG2-CD1 3.83Å; I5-L9 HydrophobicContact CG2-CG 4.21Å; I5-L9 WeakPolarHBondContact O-CB 3.48Å; I5-L9 VanDerWaalsContact O-CG 3.29Å; I5-L9 WeakPolarHBondContact O-CG 3.27Å; I5-L9 PolarHBondContact O-N 3.36Å
6S76.8Confident75.5Confident52 Ų52115.7 Ų115.736%0.36457%0.569SS.*Hα-helixtrans-63.3-44.9177.268.90000111.6L2 A3 L8 L9 D10L2-S6 WeakPolarHBondContact O-CB 3.46Å; L2-S6 PolarHBondContact O-N 3.05Å; L2-S6 PolarHBondContact O-OG 2.8Å; A3-S6 WeakPolarHBondContact CA-OG 3.45Å; A3-S6 PolarHBondContact O-OG 3.38Å; A3-S6 VanDerWaalsContact O-OG 3.05Å; S6-L8 VanDerWaalsContact C-N 3.31Å; S6-L8 PolarHBondContact O-N 3.19Å; S6-L9 PolarHBondContact O-N 3.32Å; S6-D10 WeakPolarHBondContact O-CB 3.38Å; S6-D10 PolarHBondContact O-N 3.39Å
7R75.3Confident75.2Confident192 Ų192119.4 Ų119.473%0.72558%0.576SS**Hα-helixtrans-60.9-39.7174.2-76.4178.3-178.9-175.51112.4A3 L4 W11A3-R7 WeakPolarHBondContact O-CB 3.29Å; A3-R7 VanDerWaalsContact O-CG 3.25Å; A3-R7 WeakPolarHBondContact O-CG 3.37Å; A3-R7 PolarHBondContact O-N 2.8Å; L4-R7 PolarHBondContact O-N 3.29Å; R7-W11 VanDerWaalsContact O-CB 3.26Å; R7-W11 WeakPolarHBondContact O-CB 3.49Å; R7-W11 PolarHBondContact O-N 3.43Å
8L81.8Confident75.1Confident92 Ų92120.7 Ų120.748%0.48258%0.578SS.*Hα-helixtrans-68.4-41.4178.2-158.6117.2000111.1L4 I5 S6 W11 F12L4-L8 WeakPolarHBondContact O-CB 3.25Å; L4-L8 PolarHBondContact O-N 3.4Å; I5-L8 PolarHBondContact O-N 3.1Å; S6-L8 VanDerWaalsContact C-N 3.31Å; S6-L8 PolarHBondContact O-N 3.19Å; L8-W11 WeakPolarHBondContact O-CB 3.2Å; L8-W11 PolarHBondContact O-N 2.81Å; L8-F12 HydrophobicContact CD2-CD2 3.8Å; L8-F12 HydrophobicContact CD2-CE2 3.61Å; L8-F12 HydrophobicContact CG-CD2 4.16Å; L8-F12 HydrophobicContact CG-CE2 4.18Å; L8-F12 WeakPolarHBondContact O-CB 3.34Å; L8-F12 VanDerWaalsContact O-CD2 3.27Å; L8-F12 WeakPolarHBondContact O-CD2 3.2Å; L8-F12 PolarHBondContact O-N 3.41Å
9L78.4Confident75.7Confident86 Ų86116.9 Ų116.945%0.4556%0.56SS.*Hα-helixtrans-66.8-39.9174.5-74.1172.3000112.1I5 S6 W11 F12 R13I5-L9 HydrophobicContact CG2-CD1 3.83Å; I5-L9 HydrophobicContact CG2-CG 4.21Å; I5-L9 WeakPolarHBondContact O-CB 3.48Å; I5-L9 VanDerWaalsContact O-CG 3.29Å; I5-L9 WeakPolarHBondContact O-CG 3.27Å; I5-L9 PolarHBondContact O-N 3.36Å; S6-L9 PolarHBondContact O-N 3.32Å; L9-W11 VanDerWaalsContact C-N 3.33Å; L9-F12 PolarHBondContact O-N 2.91Å; L9-R13 WeakPolarHBondContact O-CB 3.37Å; L9-R13 WeakPolarHBondContact O-CG 3.43Å; L9-R13 PolarHBondContact O-N 2.89Å
10D75.5Confident76.4Confident93 Ų93117.7 Ų117.750%0.49756%0.562SS.*Hα-helixtrans-66.1-39.2175.2-71.3-25.8000110.9S6 S14S6-D10 WeakPolarHBondContact O-CB 3.38Å; S6-D10 PolarHBondContact O-N 3.39Å; D10-S14 WeakPolarHBondContact O-CB 3.49Å; D10-S14 PolarHBondContact O-N 3.48Å
11W73.8Confident77.2Confident143 Ų143112.2 Ų112.254%0.54254%0.536SS..Hα-helixtrans-62.5-49.8171.3175.378.8000111.5R7 L8 L9 R13 S14 L15R7-W11 VanDerWaalsContact O-CB 3.26Å; R7-W11 WeakPolarHBondContact O-CB 3.49Å; R7-W11 PolarHBondContact O-N 3.43Å; L8-W11 WeakPolarHBondContact O-CB 3.2Å; L8-W11 PolarHBondContact O-N 2.81Å; L9-W11 VanDerWaalsContact C-N 3.33Å; W11-R13 PolarHBondContact O-N 2.89Å; W11-S14 WeakPolarHBondContact O-CB 3.33Å; W11-S14 PolarHBondContact O-N 3.16Å; W11-S14 VanDerWaalsContact O-N 3.13Å; W11-S14 PolarHBondContact O-OG 3.28Å; W11-L15 HydrophobicContact CD2-CD1 4.23Å; W11-L15 HydrophobicContact CE3-CD1 4.2Å; W11-L15 HydrophobicContact CH2-CD1 3.75Å; W11-L15 HydrophobicContact CZ2-CD1 3.77Å; W11-L15 HydrophobicContact CZ3-CD1 3.97Å; W11-L15 PolarHBondContact O-N 3.41Å; W11-L15 VanDerWaalsContact O-N 3.16Å
12F74.6Confident78.6Confident92 Ų92104.9 Ų104.940%0.40450%0.5SS..Hα-helixtrans-59.3-46.3175.6-95.4-70.1000112.2L8 L9 S14 L15 F16L8-F12 HydrophobicContact CD2-CD2 3.8Å; L8-F12 HydrophobicContact CD2-CE2 3.61Å; L8-F12 HydrophobicContact CG-CD2 4.16Å; L8-F12 HydrophobicContact CG-CE2 4.18Å; L8-F12 WeakPolarHBondContact O-CB 3.34Å; L8-F12 VanDerWaalsContact O-CD2 3.27Å; L8-F12 WeakPolarHBondContact O-CD2 3.2Å; L8-F12 PolarHBondContact O-N 3.41Å; L9-F12 PolarHBondContact O-N 2.91Å; F12-S14 VanDerWaalsContact C-N 3.31Å; F12-S14 PolarHBondContact O-N 3.16Å; F12-L15 HydrophobicContact CD1-CD1 4.43Å; F12-L15 WeakPolarHBondContact O-CB 3.12Å; F12-L15 PolarHBondContact O-N 3.13Å; F12-L15 VanDerWaalsContact O-N 3.16Å; F12-F16 HydrophobicContact CD1-CE2 4.31Å; F12-F16 WeakPolarHBondContact O-CD2 3.26Å; F12-F16 PolarHBondContact O-N 2.84Å
13R68.4Low79.4Confident146 Ų14697.9 Ų97.955%0.55146%0.463SS*.Hα-helixtrans-56.3-48.4173.7-80174.8177.1179.5-1.4109.8L9 W11 L15 F16 W17L9-R13 WeakPolarHBondContact O-CB 3.37Å; L9-R13 WeakPolarHBondContact O-CG 3.43Å; L9-R13 PolarHBondContact O-N 2.89Å; W11-R13 PolarHBondContact O-N 2.89Å; R13-L15 PolarHBondContact O-N 3.12Å; R13-L15 VanDerWaalsContact O-N 3.12Å; R13-F16 PolarHBondContact O-N 3.45Å; R13-W17 PolarHBondContact O-N 2.76Å
14S68Low80.1Confident62 Ų6294.8 Ų94.843%0.43444%0.438SS..Hα-helixtrans-58.9-25.9-179.777.70000114D10 W11 F12D10-S14 WeakPolarHBondContact O-CB 3.49Å; D10-S14 PolarHBondContact O-N 3.48Å; W11-S14 WeakPolarHBondContact O-CB 3.33Å; W11-S14 PolarHBondContact O-N 3.16Å; W11-S14 VanDerWaalsContact O-N 3.13Å; W11-S14 PolarHBondContact O-OG 3.28Å; F12-S14 VanDerWaalsContact C-N 3.31Å; F12-S14 PolarHBondContact O-N 3.16Å
15L65.4Low80.9Confident107 Ų10789 Ų8956%0.5641%0.408SS*.Hα-helixtrans-71.7-29.6173.2-70.5167.3000113.1W11 F12 R13W11-L15 HydrophobicContact CD2-CD1 4.23Å; W11-L15 HydrophobicContact CE3-CD1 4.2Å; W11-L15 HydrophobicContact CH2-CD1 3.75Å; W11-L15 HydrophobicContact CZ2-CD1 3.77Å; W11-L15 HydrophobicContact CZ3-CD1 3.97Å; W11-L15 PolarHBondContact O-N 3.41Å; W11-L15 VanDerWaalsContact O-N 3.16Å; F12-L15 HydrophobicContact CD1-CD1 4.43Å; F12-L15 WeakPolarHBondContact O-CB 3.12Å; F12-L15 PolarHBondContact O-N 3.13Å; F12-L15 VanDerWaalsContact O-N 3.16Å; R13-L15 PolarHBondContact O-N 3.12Å; R13-L15 VanDerWaalsContact O-N 3.12Å
16F67.9Low81.3Confident168 Ų16885 Ų8574%0.73739%0.387SS*.Hα-helixtrans-98.7-24-178-65.9-70.3000113.9F12 R13F12-F16 HydrophobicContact CD1-CE2 4.31Å; F12-F16 WeakPolarHBondContact O-CD2 3.26Å; F12-F16 PolarHBondContact O-N 2.84Å; R13-F16 PolarHBondContact O-N 3.45Å
17W69.6Low82.4Confident179 Ų17982.5 Ų82.568%0.67837%0.37SS*.PPolyproline II helixtrans-82.9122.5179.6-66.2106.7000111.4R13R13-W17 PolarHBondContact O-N 2.76Å
18K74.1Confident83.5Confident143 Ų14373.9 Ų73.962%0.62234%0.338SS*.PPolyproline II helixtrans-78.3131.6165.1-65.8-178.7-179.3179.50108.7N64K18-N64 CarbonylContact C-O 3.56Å; K18-N64 WeakPolarHBondContact CA-O 3.46Å; K18-N64 WeakPolarHBondContact CB-O 3.18Å
19E85.3Confident84.2Confident49 Ų4972.4 Ų72.423%0.22933%0.328CS..EExtended strand (participates in β ladder)trans-78143172.1-66.2178.6168.800108.7N64 V65 T66 S181 K182E19-N64 PolarHBondContact N-O 2.64Å; E19-V65 HydrophobicContact CB-CG2 4.24Å; E19-V65 CarbonylContact O-C 3.6Å; E19-V65 WeakPolarHBondContact O-CA 3.4Å; E19-T66 PolarHBondContact O-N 3.16Å; E19-S181 PolarHBondContact OE2-OG 2.83Å; E19-S181 VanDerWaalsContact OE2-OG 3.11Å; E19-K182 VanDerWaalsContact OE1-CE 3.24Å; E19-K182 WeakPolarHBondContact OE1-CE 3.45Å; E19-K182 WeakPolarHBondContact OE1-CG 3.26Å; E19-K182 WeakPolarHBondContact OE2-CE 3.24Å; E19-K182 WeakPolarHBondContact OE2-CG 3.44Å
20E89.4Confident85.1Confident131 Ų13174.3 Ų74.361%0.61233%0.33SS*.EExtended strand (participates in β ladder)trans-114.2132175-66.4-162.2150.300109.7T66E20-T66 WeakPolarHBondContact CA-O 3.35Å
21M94Very high86.1Confident3 Ų370 Ų702%0.01531%0.307CS..EExtended strand (participates in β ladder)trans-121.6140175.7-172.3-172.1-155.900109.2L23 V65 T66 I67 K68 N90 A91 L177 H180M21-L23 HydrophobicContact CE-CD2 3.35Å; M21-L23 HydrophobicContact CE-CG 4.14Å; M21-L23 HydrophobicContact CG-CD2 4.22Å; M21-L23 HydrophobicContact CG-CG 4.15Å; M21-L23 HydrophobicContact SD-CD1 3.95Å; M21-L23 HydrophobicContact SD-CD2 3.71Å; M21-L23 HydrophobicContact SD-CG 3.79Å; M21-V65 HydrophobicContact CB-CG1 4.2Å; M21-T66 PolarHBondContact N-O 2.9Å; M21-I67 CarbonylContact O-C 3.59Å; M21-I67 WeakPolarHBondContact O-CA 3.32Å; M21-I67 HydrophobicContact SD-CG2 4.43Å; M21-K68 PolarHBondContact O-N 2.91Å; M21-N90 WeakPolarHBondContact CA-OD1 3.49Å; M21-N90 HydrophobicContact CE-CB 3.67Å; M21-N90 HydrophobicContact CG-CB 3.67Å; M21-A91 HydrophobicContact CE-CB 4.27Å; M21-L177 HydrophobicContact CE-CB 4.36Å; M21-L177 HydrophobicContact CE-CD2 4.46Å; M21-L177 WeakPolarHBondContact CE-O 3.43Å; M21-L177 HydrophobicContact SD-CB 4.22Å; M21-H180 HydrophobicContact CE-CB 3.55Å
22E96.7Very high87.2Confident40 Ų4063.6 Ų63.619%0.18729%0.286CS..EExtended strand (participates in β ladder)trans-113.2130.3169.8-167.3159.3-163.700109.9K68 W70 V89 N90E22-K68 CarbonylContact C-O 3.59Å; E22-K68 WeakPolarHBondContact CA-O 3.28Å; E22-K68 HydrophobicContact CG-CB 4.46Å; E22-K68 HydrophobicContact CG-CD 4.15Å; E22-K68 HydrophobicContact CG-CG 4.46Å; E22-K68 VanDerWaalsContact OE1-CE 3.28Å; E22-K68 WeakPolarHBondContact OE1-CE 3.4Å; E22-K68 IonicContact OE1-NZ 2.72Å; E22-K68 PolarHBondContact OE1-NZ 3.03Å; E22-K68 IonicContact OE2-NZ 3.73Å; E22-W70 PolarHBondContact OE1-NE1 2.83Å; E22-V89 HydrophobicContact CG-CG1 4.2Å; E22-V89 WeakPolarHBondContact O-CB 3.47Å; E22-N90 PolarHBondContact N-OD1 2.83Å; E22-N90 WeakPolarHBondContact O-CB 3.36Å; E22-N90 PolarHBondContact O-N 2.88Å; E22-N90 PolarHBondContact O-OD1 3.16Å
23L97.5Very high88.3Confident4 Ų459.8 Ų59.82%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-130.1148.6-179-64.6176000109.7M21 I67 K68 I69 W70 A91 L177M21-L23 HydrophobicContact CE-CD2 3.35Å; M21-L23 HydrophobicContact CE-CG 4.14Å; M21-L23 HydrophobicContact CG-CD2 4.22Å; M21-L23 HydrophobicContact CG-CG 4.15Å; M21-L23 HydrophobicContact SD-CD1 3.95Å; M21-L23 HydrophobicContact SD-CD2 3.71Å; M21-L23 HydrophobicContact SD-CG 3.79Å; L23-I67 HydrophobicContact CD1-CG2 3.38Å; L23-I67 HydrophobicContact CG-CG2 3.91Å; L23-K68 PolarHBondContact N-O 3.06Å; L23-I69 WeakPolarHBondContact O-CA 3.32Å; L23-W70 PolarHBondContact O-N 2.86Å; L23-A91 WeakPolarHBondContact CA-O 3.43Å; L23-A91 HydrophobicContact CD2-CB 3.68Å; L23-A91 WeakPolarHBondContact CD2-O 3.4Å; L23-L177 HydrophobicContact CD1-CD1 3.94Å; L23-L177 HydrophobicContact CD1-CD2 3.82Å; L23-L177 HydrophobicContact CD1-CG 4.32Å; L23-L177 HydrophobicContact CD2-CD2 3.86Å
24T98.5Very high89.7Confident0 Ų053.7 Ų53.70%025%0.249CC..EExtended strand (participates in β ladder)trans-120.6127.6168.3-70.40000110V26 W70 I72 Y85 C86 V89 A91 V93T24-V26 HydrophobicContact CG2-CG1 3.82Å; T24-W70 HydrophobicContact CG2-CB 4.39Å; T24-I72 HydrophobicContact CG2-CG1 3.94Å; T24-Y85 PolarHBondContact OG1-O 3.3Å; T24-C86 VanDerWaalsContact CG2-SG 3.52Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.3Å; T24-A91 PolarHBondContact N-O 2.98Å; T24-V93 PolarHBondContact O-N 3.5Å
25L98.6Very high91.1Very high3 Ų351.4 Ų51.42%0.01623%0.232CC..EExtended strand (participates in β ladder)trans-104.3114.2-178.3-174.863.1000109.1K33 F36 V37 I69 W70 I72 V93 M95L25-K33 HydrophobicContact CD1-CG 4.25Å; L25-K33 HydrophobicContact CD2-CB 3.59Å; L25-K33 HydrophobicContact CD2-CG 4.13Å; L25-K33 WeakPolarHBondContact CD2-O 3.45Å; L25-K33 HydrophobicContact CG-CB 3.75Å; L25-K33 HydrophobicContact CG-CD 4.05Å; L25-K33 HydrophobicContact CG-CG 3.74Å; L25-F36 HydrophobicContact CD1-CD1 4.49Å; L25-F36 HydrophobicContact CD2-CD1 4.07Å; L25-V37 HydrophobicContact CD2-CG2 3.62Å; L25-I69 HydrophobicContact CB-CG2 4.28Å; L25-W70 PolarHBondContact N-O 3.45Å; L25-I72 PolarHBondContact O-N 3.27Å; L25-V93 WeakPolarHBondContact CA-O 3.34Å; L25-V93 HydrophobicContact CD1-CB 3.58Å; L25-V93 HydrophobicContact CD1-CG1 3.37Å; L25-M95 HydrophobicContact CD1-CB 4.26Å; L25-M95 HydrophobicContact CD1-CE 4.23Å
26V98.7Very high92.6Very high0 Ų046.6 Ų46.60%021%0.207CC..EExtended strand (participates in β ladder)trans-132.8169.4-173.8-75.30000110.9T24 K33 I72 W82 I92 V93 Y94 M95 L114T24-V26 HydrophobicContact CG2-CG1 3.82Å; V26-K33 VanDerWaalsContact C-CD 3.46Å; V26-K33 WeakPolarHBondContact O-CD 3.33Å; V26-I72 HydrophobicContact CG1-CB 4.23Å; V26-I72 HydrophobicContact CG1-CG1 4.18Å; V26-W82 HydrophobicContact CB-CD2 3.97Å; V26-W82 HydrophobicContact CB-CE3 4.23Å; V26-W82 HydrophobicContact CB-CG 4.23Å; V26-W82 HydrophobicContact CG1-CB 3.94Å; V26-W82 HydrophobicContact CG1-CD2 3.88Å; V26-W82 HydrophobicContact CG1-CG 3.6Å; V26-I92 HydrophobicContact CG2-CG2 3.66Å; V26-V93 PolarHBondContact N-O 3.22Å; V26-Y94 HydrophobicContact CG2-CD2 3.83Å; V26-Y94 WeakPolarHBondContact O-CA 3.32Å; V26-M95 PolarHBondContact O-N 2.83Å; V26-L114 HydrophobicContact CG2-CD2 3.89Å
27G98.7Very high93.9Very high0 Ų038.6 Ų38.60%017%0.172CC..  trans131.4168.7-172.900000111.8K33 G74 W82G27-K33 WeakPolarHBondContact O-CE 3.49Å; G27-K33 PolarHBondContact O-NZ 3.12Å; G27-G74 VanDerWaalsContact O-CA 3.23Å; G27-G74 WeakPolarHBondContact O-CA 3.18Å; G27-W82 WeakPolarHBondContact O-CZ2 3.22Å
28L98.5Very high95.2Very high10 Ų1031.4 Ų31.45%0.05215%0.147CC..SBendtrans-59.6159.1-174.3-53.4-174.5000112.8S31 K33 K103 A106 E110L28-S31 WeakPolarHBondContact O-CB 3.46Å; L28-S31 PolarHBondContact O-N 2.72Å; L28-S31 PolarHBondContact O-OG 2.7Å; L28-K33 PolarHBondContact O-NZ 3.4Å; L28-K103 HydrophobicContact CD1-CB 3.9Å; L28-K103 HydrophobicContact CD1-CD 4.29Å; L28-A106 HydrophobicContact CD1-CB 4.23Å; L28-E110 HydrophobicContact CD2-CB 4.43Å; L28-E110 HydrophobicContact CD2-CG 3.99Å
29Q96.9Very high96.2Very high61 Ų6125 Ų2529%0.28512%0.119SC..THydrogen-bonded Turntrans-58.7149.6171.859.3173.85.600110.9S31 G74 Q75Q29-S31 PolarHBondContact O-N 3.27Å; Q29-G74 PolarHBondContact N-O 2.87Å; Q29-Q75 HydrophobicContact CB-CG 4.38Å
30Y96.1Very high96.6Very high126 Ų12622.8 Ų22.849%0.49411%0.109SC..THydrogen-bonded Turntrans66.64.6-177.4-51.4-70.6000117.1G32 P51 K131Y30-G32 PolarHBondContact O-N 3.31Å; Y30-P51 HydrophobicContact CD1-CG 4.35Å; Y30-P51 HydrophobicContact CE1-CG 3.47Å; Y30-P51 VanDerWaalsContact CE1-CG 3.47Å; Y30-P51 HydrophobicContact CE2-CG 4.23Å; Y30-P51 VanDerWaalsContact OH-CG 3.26Å; Y30-P51 WeakPolarHBondContact OH-CG 3.5Å; Y30-K131 VanDerWaalsContact O-CE 3.32Å; Y30-K131 WeakPolarHBondContact O-CE 3.42Å; Y30-K131 PolarHBondContact O-NZ 2.71Å
31S97.4Very high96.8Very high2 Ų218.7 Ų18.71%0.01410%0.097CC..SBendtrans-70.1-14.6175.467.30000114.7L28 Q29 M95 N130L28-S31 WeakPolarHBondContact O-CB 3.46Å; L28-S31 PolarHBondContact O-N 2.72Å; L28-S31 PolarHBondContact O-OG 2.7Å; Q29-S31 PolarHBondContact O-N 3.27Å; S31-M95 WeakPolarHBondContact CB-O 3.44Å; S31-M95 VanDerWaalsContact O-CG 3.28Å; S31-M95 WeakPolarHBondContact O-CG 3.47Å; S31-M95 WeakPolarHBondContact OG-CG 3.5Å; S31-M95 PolarHBondContact OG-O 3.18Å; S31-N130 PolarHBondContact O-ND2 3.3Å
32G97.6Very high96.6Very high10 Ų1021.7 Ų21.710%0.10312%0.119CC..SBendtrans10021.7176.100000115.4Y30 T35 F36Y30-G32 PolarHBondContact O-N 3.31Å; G32-T35 WeakPolarHBondContact O-CB 3.35Å; G32-T35 PolarHBondContact O-N 2.8Å; G32-F36 WeakPolarHBondContact O-CB 3.23Å; G32-F36 PolarHBondContact O-N 2.83Å
33K97.7Very high96.2Very high11 Ų1121 Ų215%0.04812%0.123CC..Hα-helixtrans-54.7-59177.1-65.9-174.6-61.5-66.50113.4L25 V26 G27 L28 T35 F36 V37 D71 I72 M95L25-K33 HydrophobicContact CD1-CG 4.25Å; L25-K33 HydrophobicContact CD2-CB 3.59Å; L25-K33 HydrophobicContact CD2-CG 4.13Å; L25-K33 WeakPolarHBondContact CD2-O 3.45Å; L25-K33 HydrophobicContact CG-CB 3.75Å; L25-K33 HydrophobicContact CG-CD 4.05Å; L25-K33 HydrophobicContact CG-CG 3.74Å; V26-K33 VanDerWaalsContact C-CD 3.46Å; V26-K33 WeakPolarHBondContact O-CD 3.33Å; G27-K33 WeakPolarHBondContact O-CE 3.49Å; G27-K33 PolarHBondContact O-NZ 3.12Å; L28-K33 PolarHBondContact O-NZ 3.4Å; K33-T35 VanDerWaalsContact C-N 3.26Å; K33-T35 PolarHBondContact O-N 3.46Å; K33-F36 WeakPolarHBondContact O-CB 3.4Å; K33-F36 PolarHBondContact O-N 3.25Å; K33-F36 VanDerWaalsContact O-N 3.11Å; K33-V37 PolarHBondContact O-N 3.36Å; K33-D71 WeakPolarHBondContact CB-OD1 3.36Å; K33-I72 WeakPolarHBondContact CE-O 3.31Å; K33-M95 HydrophobicContact CD-CB 4.43Å; K33-M95 HydrophobicContact CG-CB 3.6Å; K33-M95 HydrophobicContact CG-CG 4.03Å
34T96.6Very high95.9Very high19 Ų1927.4 Ų27.412%0.11715%0.153CC..Hα-helixtrans-62.9-35.2179.5-46.90000111.9V37 N38 M49 T52 D71T34-V37 PolarHBondContact O-N 3.25Å; T34-N38 PolarHBondContact O-N 3.3Å; T34-M49 HydrophobicContact CG2-CE 3.93Å; T34-M49 HydrophobicContact CG2-SD 3.72Å; T34-T52 PolarHBondContact OG1-OG1 3.46Å; T34-D71 WeakPolarHBondContact CA-OD2 3.43Å; T34-D71 VanDerWaalsContact CB-OD2 3.31Å; T34-D71 WeakPolarHBondContact CB-OD2 3.5Å; T34-D71 PolarHBondContact OG1-OD2 3.48Å
35T97.2Very high95.4Very high14 Ų1431 Ų319%0.08617%0.169CC..Hα-helixtrans-61-46.8172.8-49.50000111.4G32 K33 V37 N38 V39 F45 C164G32-T35 WeakPolarHBondContact O-CB 3.35Å; G32-T35 PolarHBondContact O-N 2.8Å; K33-T35 VanDerWaalsContact C-N 3.26Å; K33-T35 PolarHBondContact O-N 3.46Å; T35-V37 VanDerWaalsContact C-N 3.32Å; T35-V37 PolarHBondContact O-N 2.81Å; T35-N38 WeakPolarHBondContact O-CB 3.3Å; T35-N38 PolarHBondContact O-N 2.9Å; T35-N38 VanDerWaalsContact O-N 3.14Å; T35-V39 HydrophobicContact CG2-CG2 4.41Å; T35-V39 VanDerWaalsContact O-CG2 3.3Å; T35-V39 WeakPolarHBondContact O-CG2 3.35Å; T35-V39 PolarHBondContact O-N 2.63Å; T35-F45 HydrophobicContact CG2-CD2 3.47Å; T35-F45 VanDerWaalsContact CG2-CD2 3.47Å; T35-F45 HydrophobicContact CG2-CE2 3.66Å; T35-C164 HydrophobicContact CG2-CB 3.77Å
36F97.7Very high94.8Very high5 Ų533.8 Ų33.82%0.02219%0.188CC..Hα-helixtrans-57.7-45.2175.3178.4-103.9000111.3L25 G32 K33 N38 V39 I40 M95 L128 I162 I170 T173L25-F36 HydrophobicContact CD1-CD1 4.49Å; L25-F36 HydrophobicContact CD2-CD1 4.07Å; G32-F36 WeakPolarHBondContact O-CB 3.23Å; G32-F36 PolarHBondContact O-N 2.83Å; K33-F36 WeakPolarHBondContact O-CB 3.4Å; K33-F36 PolarHBondContact O-N 3.25Å; K33-F36 VanDerWaalsContact O-N 3.11Å; F36-N38 VanDerWaalsContact C-N 3.34Å; F36-N38 PolarHBondContact O-N 3.21Å; F36-V39 PolarHBondContact O-N 3.11Å; F36-I40 HydrophobicContact CD1-CD1 4.24Å; F36-I40 HydrophobicContact CD2-CG2 4.29Å; F36-I40 HydrophobicContact CE1-CD1 3.93Å; F36-I40 HydrophobicContact CE1-CG2 4.17Å; F36-I40 HydrophobicContact CE2-CG2 3.87Å; F36-I40 HydrophobicContact CZ-CG2 3.8Å; F36-I40 WeakPolarHBondContact O-CG1 3.44Å; F36-I40 WeakPolarHBondContact O-CG2 3.44Å; F36-I40 PolarHBondContact O-N 2.96Å; F36-M95 HydrophobicContact CB-CE 3.57Å; F36-M95 HydrophobicContact CD1-CE 4.26Å; F36-M95 HydrophobicContact CD2-CE 4.14Å; F36-M95 HydrophobicContact CG-CE 3.74Å; F36-L128 HydrophobicContact CD2-CD1 4.43Å; F36-L128 HydrophobicContact CE1-CD1 4.41Å; F36-L128 HydrophobicContact CE2-CD1 4.04Å; F36-L128 HydrophobicContact CZ-CD1 4.03Å; F36-I162 HydrophobicContact CD2-CD1 3.98Å; F36-I162 HydrophobicContact CE2-CD1 4.27Å; F36-I170 HydrophobicContact CD2-CD1 4.12Å; F36-I170 HydrophobicContact CE2-CD1 4.07Å; F36-T173 HydrophobicContact CE2-CG2 3.85Å; F36-T173 HydrophobicContact CZ-CG2 3.65Å
37V96.1Very high93.8Very high1 Ų140.8 Ų40.81%0.00622%0.221CC..Hα-helixtrans-60.2-41.5175.9-179.30000112L25 K33 T34 T35 I40 A41 R58 I69 D71L25-V37 HydrophobicContact CD2-CG2 3.62Å; K33-V37 PolarHBondContact O-N 3.36Å; T34-V37 PolarHBondContact O-N 3.25Å; T35-V37 VanDerWaalsContact C-N 3.32Å; T35-V37 PolarHBondContact O-N 2.81Å; V37-I40 VanDerWaalsContact O-CG1 3.29Å; V37-I40 WeakPolarHBondContact O-CG1 3.31Å; V37-A41 WeakPolarHBondContact O-CB 3.45Å; V37-A41 PolarHBondContact O-N 3.05Å; V37-R58 HydrophobicContact CG1-CB 4.1Å; V37-R58 HydrophobicContact CG1-CG 4.25Å; V37-I69 HydrophobicContact CG2-CG2 3.99Å; V37-D71 HydrophobicContact CG2-CB 4.32Å
38N95.1Very high93Very high28 Ų2847.9 Ų47.915%0.1526%0.259CS..Hα-helixtrans-64.4-45.2175.8-70.7-14000111.8T34 T35 F36 I40 A41 S42 G43 M49 R58T34-N38 PolarHBondContact O-N 3.3Å; T35-N38 WeakPolarHBondContact O-CB 3.3Å; T35-N38 PolarHBondContact O-N 2.9Å; T35-N38 VanDerWaalsContact O-N 3.14Å; F36-N38 VanDerWaalsContact C-N 3.34Å; F36-N38 PolarHBondContact O-N 3.21Å; N38-I40 PolarHBondContact O-N 3.34Å; N38-A41 PolarHBondContact O-N 3.35Å; N38-S42 PolarHBondContact O-N 3.26Å; N38-S42 PolarHBondContact O-OG 3.15Å; N38-G43 PolarHBondContact O-N 3.03Å; N38-M49 WeakPolarHBondContact ND2-CE 3.32Å; N38-R58 PolarHBondContact OD1-NH1 2.9Å
39V95.8Very high92.3Very high8 Ų850.1 Ų50.15%0.04827%0.269CS..Hα-helixtrans-63.4-44.6-178.8170.20000110.9T35 F36 A41 G43 C164 K167 I170T35-V39 HydrophobicContact CG2-CG2 4.41Å; T35-V39 VanDerWaalsContact O-CG2 3.3Å; T35-V39 WeakPolarHBondContact O-CG2 3.35Å; T35-V39 PolarHBondContact O-N 2.63Å; F36-V39 PolarHBondContact O-N 3.11Å; V39-A41 VanDerWaalsContact C-N 3.34Å; V39-G43 WeakPolarHBondContact O-CA 3.44Å; V39-G43 PolarHBondContact O-N 3.25Å; V39-C164 HydrophobicContact CG2-CB 4.16Å; V39-C164 WeakPolarHBondContact CG2-O 3.46Å; V39-K167 HydrophobicContact CG1-CG 4.3Å; V39-I170 HydrophobicContact CG1-CD1 4.46Å; V39-I170 HydrophobicContact CG1-CG1 4.28Å; V39-I170 HydrophobicContact CG1-CG2 4.32Å
40I94.2Very high91.8Very high2 Ų253.9 Ų53.91%0.0129%0.29CS..Hα-helixtrans-70.9-31.8175.868.5-176.6000111.6F36 V37 N38 V60 K62 I69 I170 L174F36-I40 HydrophobicContact CD1-CD1 4.24Å; F36-I40 HydrophobicContact CD2-CG2 4.29Å; F36-I40 HydrophobicContact CE1-CD1 3.93Å; F36-I40 HydrophobicContact CE1-CG2 4.17Å; F36-I40 HydrophobicContact CE2-CG2 3.87Å; F36-I40 HydrophobicContact CZ-CG2 3.8Å; F36-I40 WeakPolarHBondContact O-CG1 3.44Å; F36-I40 WeakPolarHBondContact O-CG2 3.44Å; F36-I40 PolarHBondContact O-N 2.96Å; V37-I40 VanDerWaalsContact O-CG1 3.29Å; V37-I40 WeakPolarHBondContact O-CG1 3.31Å; N38-I40 PolarHBondContact O-N 3.34Å; I40-V60 HydrophobicContact CG1-CG1 4.4Å; I40-V60 HydrophobicContact CG1-CG2 4.29Å; I40-V60 WeakPolarHBondContact O-CG1 3.23Å; I40-K62 WeakPolarHBondContact O-CE 3.34Å; I40-K62 PolarHBondContact O-NZ 3.06Å; I40-I69 HydrophobicContact CD1-CD1 3.27Å; I40-I69 HydrophobicContact CG1-CD1 4.44Å; I40-I170 HydrophobicContact CG2-CG2 4.14Å; I40-L174 HydrophobicContact CB-CD2 4.29Å; I40-L174 HydrophobicContact CG2-CD1 4.38Å; I40-L174 HydrophobicContact CG2-CD2 3.98Å; I40-L174 HydrophobicContact CG2-CG 4.34Å
41A92.3Very high91.3Very high45 Ų4549.4 Ų49.437%0.37228%0.277SS..Hα-helixtrans-73.8-52.6-178.500000112.9V37 N38 V39 V60V37-A41 WeakPolarHBondContact O-CB 3.45Å; V37-A41 PolarHBondContact O-N 3.05Å; N38-A41 PolarHBondContact O-N 3.35Å; V39-A41 VanDerWaalsContact C-N 3.34Å; A41-V60 HydrophobicContact CB-CG2 3.77Å
42S90.4Very high90.8Very high66 Ų6650.8 Ų50.846%0.46229%0.285SS..Hα-helixtrans-124.9-3.3-17161.70000113.9N38 Q44N38-S42 PolarHBondContact O-N 3.26Å; N38-S42 PolarHBondContact O-OG 3.15Å; S42-Q44 PolarHBondContact O-N 3.16Å; S42-Q44 WeakPolarHBondContact OG-CB 3.29Å; S42-Q44 PolarHBondContact OG-N 3.46Å; S42-Q44 PolarHBondContact OG-OE1 3.23Å
43G89.5Confident90.3Very high27 Ų2755.3 Ų55.328%0.27831%0.311SS..SBendtrans69.67.6-172.700000113.5N38 V39 K167N38-G43 PolarHBondContact O-N 3.03Å; V39-G43 WeakPolarHBondContact O-CA 3.44Å; V39-G43 PolarHBondContact O-N 3.25Å; G43-K167 WeakPolarHBondContact O-CE 3.48Å; G43-K167 PolarHBondContact O-NZ 2.72Å
44Q89.6Confident90Very high137 Ų13755.5 Ų55.564%0.6432%0.315SS*.  trans-93.1135.5-178.4-65.7174.3-25.400110.7S42S42-Q44 PolarHBondContact O-N 3.16Å; S42-Q44 WeakPolarHBondContact OG-CB 3.29Å; S42-Q44 PolarHBondContact OG-N 3.46Å; S42-Q44 PolarHBondContact OG-OE1 3.23Å
45F89Confident89.9Confident77 Ų7759.1 Ų59.134%0.33833%0.329SS..  trans-107.9143.6169.9173.5-99.8000108.8T35 E47 K165T35-F45 HydrophobicContact CG2-CD2 3.47Å; T35-F45 VanDerWaalsContact CG2-CD2 3.47Å; T35-F45 HydrophobicContact CG2-CE2 3.66Å; F45-E47 HydrophobicContact CD1-CG 4.33Å; F45-E47 HydrophobicContact CE1-CB 4.41Å; F45-E47 HydrophobicContact CE1-CG 3.43Å; F45-E47 VanDerWaalsContact CE1-CG 3.43Å; F45-E47 HydrophobicContact CZ-CG 4.08Å; F45-K165 HydrophobicContact CD1-CG 4.17Å; F45-K165 HydrophobicContact CD2-CB 4.19Å; F45-K165 HydrophobicContact CE1-CB 4.25Å; F45-K165 HydrophobicContact CE1-CD 4.28Å; F45-K165 HydrophobicContact CE1-CG 3.78Å; F45-K165 HydrophobicContact CE2-CB 3.85Å; F45-K165 HydrophobicContact CE2-CG 4.3Å; F45-K165 HydrophobicContact CZ-CB 3.89Å; F45-K165 HydrophobicContact CZ-CD 4.27Å; F45-K165 HydrophobicContact CZ-CG 3.87Å
46S86.6Confident89.7Confident61 Ų6161.3 Ų61.343%0.42734%0.341SS..  trans-134.7128.9174.6177.50000107.5
47E77.7Confident89.6Confident147 Ų14764.7 Ų64.769%0.68736%0.357SS*.SBendtrans-69-44.4-176.2-73.5-177.9170.500111.6F45 M49F45-E47 HydrophobicContact CD1-CG 4.33Å; F45-E47 HydrophobicContact CE1-CB 4.41Å; F45-E47 HydrophobicContact CE1-CG 3.43Å; F45-E47 VanDerWaalsContact CE1-CG 3.43Å; F45-E47 HydrophobicContact CZ-CG 4.08Å; E47-M49 PolarHBondContact O-N 3.45Å; E47-M49 VanDerWaalsContact O-N 3.1Å
48D80.2Confident89.6Confident148 Ų14869 Ų6979%0.79137%0.374SS*.  trans-90.766.8-171.8-63.5-45.1000113.4
49M85.6Confident89.6Confident57 Ų5773.6 Ų73.628%0.28139%0.392SS..PPolyproline II helixtrans-82.8123176.7-167.967.371.500112.7T34 N38 E47T34-M49 HydrophobicContact CG2-CE 3.93Å; T34-M49 HydrophobicContact CG2-SD 3.72Å; N38-M49 WeakPolarHBondContact ND2-CE 3.32Å; E47-M49 PolarHBondContact O-N 3.45Å; E47-M49 VanDerWaalsContact O-N 3.1Å
50I85.7Confident89.4Confident140 Ų14073.5 Ų73.572%0.71839%0.392SS*.PPolyproline II helixtrans-81.9140.4174.1-59.4172.5000110T52I50-T52 PolarHBondContact O-N 3.22Å
51P85.6Confident89.2Confident33 Ų3377 Ų7721%0.21441%0.414CS..PPolyproline II helixtrans-55.7130.1175.8-28.636.5000113.9Y30 V53 Q75Y30-P51 HydrophobicContact CD1-CG 4.35Å; Y30-P51 HydrophobicContact CE1-CG 3.47Å; Y30-P51 VanDerWaalsContact CE1-CG 3.47Å; Y30-P51 HydrophobicContact CE2-CG 4.23Å; Y30-P51 VanDerWaalsContact OH-CG 3.26Å; Y30-P51 WeakPolarHBondContact OH-CG 3.5Å; P51-V53 PolarHBondContact O-N 2.93Å; P51-Q75 VanDerWaalsContact CB-NE2 3.33Å
52T87.1Confident88.9Confident30 Ų3078.1 Ų78.118%0.18441%0.41CS..PPolyproline II helixtrans-61.6129.9177.3-51.50000112.1T34 I50T34-T52 PolarHBondContact OG1-OG1 3.46Å; I50-T52 PolarHBondContact O-N 3.22Å
53V86.6Confident88.6Confident106 Ų10678.6 Ų78.664%0.64243%0.425SS*.PPolyproline II helixtrans-91.8118.1172.8176.70000108.3P51 F55 F78P51-V53 PolarHBondContact O-N 2.93Å; V53-F55 PolarHBondContact O-N 3.09Å; V53-F78 HydrophobicContact CB-CZ 4.34Å; V53-F78 HydrophobicContact CG1-CZ 3.85Å
54G92.4Very high88.3Confident14 Ų1481 Ų8114%0.14443%0.432CS..SBendtrans75.2-112.917900000112.8G73 F78G54-G73 PolarHBondContact O-N 3.12Å; G54-F78 VanDerWaalsContact N-CZ 3.26Å
55F93.3Very high88.3Confident95 Ų9574.5 Ų74.542%0.41740%0.401SS..EExtended strand (participates in β ladder)trans-147.7156.7-178.864.3-87.1000110.9V53 W70 D71 I72 Y85V53-F55 PolarHBondContact O-N 3.09Å; F55-W70 AromaticContact CD2-CE3 3.92Å; F55-W70 HydrophobicContact CD2-CE3 3.92Å; F55-W70 AromaticContact CD2-CZ3 3.72Å; F55-W70 HydrophobicContact CD2-CZ3 3.72Å; F55-W70 HydrophobicContact CE2-CE3 4.44Å; F55-W70 AromaticContact CE2-CZ3 3.78Å; F55-W70 HydrophobicContact CE2-CZ3 3.78Å; F55-D71 CarbonylContact C-O 3.5Å; F55-D71 VanDerWaalsContact CA-O 3.32Å; F55-D71 WeakPolarHBondContact CA-O 3.41Å; F55-I72 HydrophobicContact CB-CD1 3.48Å; F55-I72 VanDerWaalsContact CB-CD1 3.48Å; F55-Y85 HydrophobicContact CD1-CE2 4.16Å; F55-Y85 AromaticContact CD1-CZ 3.74Å; F55-Y85 VanDerWaalsContact CD1-OH 3.23Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.49Å; F55-Y85 AromaticContact CD2-CE1 3.99Å; F55-Y85 HydrophobicContact CD2-CE1 3.99Å; F55-Y85 AromaticContact CE1-CZ 3.93Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.48Å; F55-Y85 HydrophobicContact CE2-CE1 4.24Å; F55-Y85 HydrophobicContact CG-CE1 4.15Å; F55-Y85 HydrophobicContact CG-CE2 4.36Å; F55-Y85 AromaticContact CG-CZ 3.81Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.35Å
56N94.4Very high88.5Confident61 Ų6171.8 Ų71.833%0.32639%0.391SS..EExtended strand (participates in β ladder)trans-136.2139172.6-178.954.7000110.5R58 D71N56-R58 VanDerWaalsContact ND2-CG 3.32Å; N56-R58 WeakPolarHBondContact ND2-CG 2.97Å; N56-R58 PolarHBondContact ND2-NE 3.07Å; N56-D71 PolarHBondContact N-O 3.3Å; N56-D71 PolarHBondContact O-N 2.89Å
57M95.4Very high88.9Confident75 Ų7568.9 Ų68.937%0.36937%0.371SS..EExtended strand (participates in β ladder)trans-103.6130.5174.9-170.5-142.962.800109.7K59 K68 I69 W70M57-K59 HydrophobicContact CE-CG 4.48Å; M57-K68 HydrophobicContact CG-CG 4.05Å; M57-K68 HydrophobicContact SD-CD 4.31Å; M57-K68 HydrophobicContact SD-CG 4.09Å; M57-I69 WeakPolarHBondContact CA-O 3.14Å; M57-W70 HydrophobicContact CB-CD2 4.35Å; M57-W70 HydrophobicContact CB-CE3 3.75Å; M57-W70 HydrophobicContact CB-CH2 4.05Å; M57-W70 HydrophobicContact CB-CZ3 3.59Å; M57-W70 HydrophobicContact CG-CD2 4.22Å; M57-W70 HydrophobicContact CG-CE3 4.11Å; M57-W70 HydrophobicContact CG-CH2 4.08Å; M57-W70 HydrophobicContact CG-CZ2 4.19Å; M57-W70 HydrophobicContact CG-CZ3 4.04Å
58R95Very high89.8Confident92 Ų9264.5 Ų64.535%0.34735%0.35SS..EExtended strand (participates in β ladder)trans-130147.8169.4-65-160.8-176.7171.23.1111.7V37 N38 N56 I69V37-R58 HydrophobicContact CG1-CB 4.1Å; V37-R58 HydrophobicContact CG1-CG 4.25Å; N38-R58 PolarHBondContact OD1-NH1 2.9Å; N56-R58 VanDerWaalsContact ND2-CG 3.32Å; N56-R58 WeakPolarHBondContact ND2-CG 2.97Å; N56-R58 PolarHBondContact ND2-NE 3.07Å; R58-I69 PolarHBondContact N-O 3.28Å; R58-I69 PolarHBondContact O-N 2.64Å
59K94.7Very high90.6Very high124 Ų12457.7 Ų57.754%0.53931%0.313SS..EExtended strand (participates in β ladder)trans-107129.8169.1-69.1-171.1176.8-167.70108.9M57 T66 I67 K68M57-K59 HydrophobicContact CE-CG 4.48Å; K59-T66 HydrophobicContact CB-CG2 4.31Å; K59-T66 HydrophobicContact CD-CG2 4.3Å; K59-I67 CarbonylContact C-O 3.46Å; K59-I67 VanDerWaalsContact CA-O 3.32Å; K59-I67 WeakPolarHBondContact CA-O 3.42Å; K59-K68 HydrophobicContact CG-CB 4.46Å
60V93Very high91.2Very high6 Ų657.1 Ų57.14%0.03631%0.308CS..EExtended strand (participates in β ladder)trans-125.5123.3177.2179.40000108.1I40 A41 K62 I67 I69I40-V60 HydrophobicContact CG1-CG1 4.4Å; I40-V60 HydrophobicContact CG1-CG2 4.29Å; I40-V60 WeakPolarHBondContact O-CG1 3.23Å; A41-V60 HydrophobicContact CB-CG2 3.77Å; V60-K62 HydrophobicContact CG1-CG 4.26Å; V60-I67 PolarHBondContact N-O 3.25Å; V60-I67 PolarHBondContact O-N 2.78Å; V60-I69 HydrophobicContact CG2-CD1 4.25Å
61T90.3Very high91.8Very high77 Ų7750.6 Ų50.647%0.47227%0.274SS..EExtended strand (participates in β ladder)trans-97.4124176.2-58.20000109.8V65 T66T61-V65 CarbonylContact C-O 3.52Å; T61-V65 WeakPolarHBondContact CA-O 3.38Å; T61-T66 PolarHBondContact OG1-OG1 3.3Å
62K85.1Confident92.3Very high67 Ų6749 Ų4929%0.29126%0.264SS..EExtended strand (participates in β ladder)trans-125.7112.8173.4-68.2-62.9-175.6-172.80108.6I40 V60 N64 V65 L174 I178I40-K62 WeakPolarHBondContact O-CE 3.34Å; I40-K62 PolarHBondContact O-NZ 3.06Å; V60-K62 HydrophobicContact CG1-CG 4.26Å; K62-N64 PolarHBondContact O-N 2.76Å; K62-V65 PolarHBondContact N-O 2.78Å; K62-V65 PolarHBondContact O-N 2.85Å; K62-L174 HydrophobicContact CD-CD1 4.42Å; K62-L174 HydrophobicContact CG-CD1 4.45Å; K62-L174 HydrophobicContact CG-CD2 4.49Å; K62-I178 HydrophobicContact CB-CD1 4.3Å
63G83.7Confident92.8Very high76 Ų7647.6 Ų47.678%0.78426%0.256SS*.THydrogen-bonded Turntrans59.4-125.2-173.100000111.5
64N84.1Confident93.2Very high79 Ų7942.8 Ų42.842%0.42223%0.227SC..THydrogen-bonded Turntrans-90.33.1176.968.4-32.6000113.8K18 E19 K62K18-N64 CarbonylContact C-O 3.56Å; K18-N64 WeakPolarHBondContact CA-O 3.46Å; K18-N64 WeakPolarHBondContact CB-O 3.18Å; E19-N64 PolarHBondContact N-O 2.64Å; K62-N64 PolarHBondContact O-N 2.76Å
65V88.4Confident93.4Very high0 Ų043.5 Ų43.50%023%0.227CC..EExtended strand (participates in β ladder)trans-105127.7-178.7-170.80000110.6E19 M21 T61 K62 I67 I178E19-V65 HydrophobicContact CB-CG2 4.24Å; E19-V65 CarbonylContact O-C 3.6Å; E19-V65 WeakPolarHBondContact O-CA 3.4Å; M21-V65 HydrophobicContact CB-CG1 4.2Å; T61-V65 CarbonylContact C-O 3.52Å; T61-V65 WeakPolarHBondContact CA-O 3.38Å; K62-V65 PolarHBondContact N-O 2.78Å; K62-V65 PolarHBondContact O-N 2.85Å; V65-I67 HydrophobicContact CG1-CG1 4.01Å; V65-I178 HydrophobicContact CB-CG1 4.49Å; V65-I178 HydrophobicContact CG2-CG1 4.27Å; V65-I178 HydrophobicContact CG2-CG2 3.96Å
66T92.9Very high93.6Very high19 Ų1943.2 Ų43.212%0.11724%0.235CC..EExtended strand (participates in β ladder)trans-100.2115.6167.2-60.40000109.4E19 E20 M21 K59 T61E19-T66 PolarHBondContact O-N 3.16Å; E20-T66 WeakPolarHBondContact CA-O 3.35Å; M21-T66 PolarHBondContact N-O 2.9Å; K59-T66 HydrophobicContact CB-CG2 4.31Å; K59-T66 HydrophobicContact CD-CG2 4.3Å; T61-T66 PolarHBondContact OG1-OG1 3.3Å
67I95.3Very high93.7Very high1 Ų148 Ų481%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-99.8112.6-176.7-48.5175.8000108.4M21 L23 K59 V60 V65 I69 L174M21-I67 CarbonylContact O-C 3.59Å; M21-I67 WeakPolarHBondContact O-CA 3.32Å; M21-I67 HydrophobicContact SD-CG2 4.43Å; L23-I67 HydrophobicContact CD1-CG2 3.38Å; L23-I67 HydrophobicContact CG-CG2 3.91Å; K59-I67 CarbonylContact C-O 3.46Å; K59-I67 VanDerWaalsContact CA-O 3.32Å; K59-I67 WeakPolarHBondContact CA-O 3.42Å; V60-I67 PolarHBondContact N-O 3.25Å; V60-I67 PolarHBondContact O-N 2.78Å; V65-I67 HydrophobicContact CG1-CG1 4.01Å; I67-I69 HydrophobicContact CB-CG1 4.4Å; I67-I69 HydrophobicContact CG2-CD1 3.98Å; I67-I69 HydrophobicContact CG2-CG1 3.61Å; I67-L174 HydrophobicContact CD1-CD2 4.42Å
68K96.2Very high93.7Very high55 Ų5545.5 Ų45.524%0.23924%0.235CC..EExtended strand (participates in β ladder)trans-87118.5169.5-177.4-174.5174.1-158.50108.7M21 E22 L23 M57 K59M21-K68 PolarHBondContact O-N 2.91Å; E22-K68 CarbonylContact C-O 3.59Å; E22-K68 WeakPolarHBondContact CA-O 3.28Å; E22-K68 HydrophobicContact CG-CB 4.46Å; E22-K68 HydrophobicContact CG-CD 4.15Å; E22-K68 HydrophobicContact CG-CG 4.46Å; E22-K68 VanDerWaalsContact OE1-CE 3.28Å; E22-K68 WeakPolarHBondContact OE1-CE 3.4Å; E22-K68 IonicContact OE1-NZ 2.72Å; E22-K68 PolarHBondContact OE1-NZ 3.03Å; E22-K68 IonicContact OE2-NZ 3.73Å; L23-K68 PolarHBondContact N-O 3.06Å; M57-K68 HydrophobicContact CG-CG 4.05Å; M57-K68 HydrophobicContact SD-CD 4.31Å; M57-K68 HydrophobicContact SD-CG 4.09Å; K59-K68 HydrophobicContact CG-CB 4.46Å
69I98.2Very high93.8Very high5 Ų543.3 Ų43.33%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-118.6123.5-173.1-53.1175.1000109L23 L25 V37 I40 M57 R58 V60 I67L23-I69 WeakPolarHBondContact O-CA 3.32Å; L25-I69 HydrophobicContact CB-CG2 4.28Å; V37-I69 HydrophobicContact CG2-CG2 3.99Å; I40-I69 HydrophobicContact CD1-CD1 3.27Å; I40-I69 HydrophobicContact CG1-CD1 4.44Å; M57-I69 WeakPolarHBondContact CA-O 3.14Å; R58-I69 PolarHBondContact N-O 3.28Å; R58-I69 PolarHBondContact O-N 2.64Å; V60-I69 HydrophobicContact CG2-CD1 4.25Å; I67-I69 HydrophobicContact CB-CG1 4.4Å; I67-I69 HydrophobicContact CG2-CD1 3.98Å; I67-I69 HydrophobicContact CG2-CG1 3.61Å
70W98.1Very high93.8Very high44 Ų4442.4 Ų42.417%0.16724%0.236CC..EExtended strand (participates in β ladder)trans-92.3106.8166.4-63.4103000109.7E22 L23 T24 L25 F55 M57 I72 Y85E22-W70 PolarHBondContact OE1-NE1 2.83Å; L23-W70 PolarHBondContact O-N 2.86Å; T24-W70 HydrophobicContact CG2-CB 4.39Å; L25-W70 PolarHBondContact N-O 3.45Å; F55-W70 AromaticContact CD2-CE3 3.92Å; F55-W70 HydrophobicContact CD2-CE3 3.92Å; F55-W70 AromaticContact CD2-CZ3 3.72Å; F55-W70 HydrophobicContact CD2-CZ3 3.72Å; F55-W70 HydrophobicContact CE2-CE3 4.44Å; F55-W70 AromaticContact CE2-CZ3 3.78Å; F55-W70 HydrophobicContact CE2-CZ3 3.78Å; M57-W70 HydrophobicContact CB-CD2 4.35Å; M57-W70 HydrophobicContact CB-CE3 3.75Å; M57-W70 HydrophobicContact CB-CH2 4.05Å; M57-W70 HydrophobicContact CB-CZ3 3.59Å; M57-W70 HydrophobicContact CG-CD2 4.22Å; M57-W70 HydrophobicContact CG-CE3 4.11Å; M57-W70 HydrophobicContact CG-CH2 4.08Å; M57-W70 HydrophobicContact CG-CZ2 4.19Å; M57-W70 HydrophobicContact CG-CZ3 4.04Å; W70-I72 HydrophobicContact CB-CD1 3.94Å; W70-Y85 HydrophobicContact CB-CD1 4.37Å; W70-Y85 AromaticContact CD2-CD1 3.76Å; W70-Y85 HydrophobicContact CD2-CD1 3.76Å; W70-Y85 HydrophobicContact CD2-CE1 4.13Å; W70-Y85 AromaticContact CE3-CD1 3.77Å; W70-Y85 HydrophobicContact CE3-CD1 3.77Å; W70-Y85 AromaticContact CE3-CE1 3.7Å; W70-Y85 HydrophobicContact CE3-CE1 3.7Å; W70-Y85 HydrophobicContact CG-CD1 4.04Å; W70-Y85 HydrophobicContact CH2-CE1 4.33Å; W70-Y85 HydrophobicContact CZ3-CD1 4.3Å; W70-Y85 AromaticContact CZ3-CE1 3.81Å; W70-Y85 HydrophobicContact CZ3-CE1 3.81Å
71D97.7Very high93.9Very high3 Ų344.3 Ų44.32%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-89.6110.2172.9179.221.8000109.2K33 T34 V37 F55 N56K33-D71 WeakPolarHBondContact CB-OD1 3.36Å; T34-D71 WeakPolarHBondContact CA-OD2 3.43Å; T34-D71 VanDerWaalsContact CB-OD2 3.31Å; T34-D71 WeakPolarHBondContact CB-OD2 3.5Å; T34-D71 PolarHBondContact OG1-OD2 3.48Å; V37-D71 HydrophobicContact CG2-CB 4.32Å; F55-D71 CarbonylContact C-O 3.5Å; F55-D71 VanDerWaalsContact CA-O 3.32Å; F55-D71 WeakPolarHBondContact CA-O 3.41Å; N56-D71 PolarHBondContact N-O 3.3Å; N56-D71 PolarHBondContact O-N 2.89Å
72I97.3Very high94.3Very high0 Ų040.8 Ų40.80%022%0.223CC..EExtended strand (participates in β ladder)trans-104.8140.3-173.9-43.9-60.2000111T24 L25 V26 K33 F55 W70 G74 Y85T24-I72 HydrophobicContact CG2-CG1 3.94Å; L25-I72 PolarHBondContact O-N 3.27Å; V26-I72 HydrophobicContact CG1-CB 4.23Å; V26-I72 HydrophobicContact CG1-CG1 4.18Å; K33-I72 WeakPolarHBondContact CE-O 3.31Å; F55-I72 HydrophobicContact CB-CD1 3.48Å; F55-I72 VanDerWaalsContact CB-CD1 3.48Å; W70-I72 HydrophobicContact CB-CD1 3.94Å; I72-G74 PolarHBondContact O-N 2.88Å; I72-Y85 HydrophobicContact CD1-CD1 4.03Å; I72-Y85 HydrophobicContact CD1-CD2 3.9Å; I72-Y85 HydrophobicContact CD1-CG 3.64Å
73G96Very high94.9Very high1 Ų139.6 Ų39.61%0.0122%0.219CC..  trans-56.1136.4175.400000112.8G54 W82G54-G73 PolarHBondContact O-N 3.12Å; G73-W82 PolarHBondContact O-NE1 2.85Å; G73-W82 VanDerWaalsContact O-NE1 3.1Å
74G96.9Very high95.5Very high4 Ų444.1 Ų44.14%0.04121%0.212CC..  trans-96-0.5-179.400000115.4G27 Q29 I72 R79G27-G74 VanDerWaalsContact O-CA 3.23Å; G27-G74 WeakPolarHBondContact O-CA 3.18Å; Q29-G74 PolarHBondContact N-O 2.87Å; I72-G74 PolarHBondContact O-N 2.88Å; G74-R79 PolarHBondContact O-NE 2.95Å; G74-R79 PolarHBondContact O-NH2 3.28Å; G74-R79 VanDerWaalsContact O-NH2 3.08Å
75Q96.2Very high96.2Very high30 Ų3041.7 Ų41.714%0.1420%0.197CC..SBendtrans-67.3146.1173.7-73.6166.451.200110Q29 P51 R77 F78 R79Q29-Q75 HydrophobicContact CB-CG 4.38Å; P51-Q75 VanDerWaalsContact CB-NE2 3.33Å; Q75-R77 HydrophobicContact CB-CG 4.2Å; Q75-R77 PolarHBondContact O-N 3.02Å; Q75-R77 VanDerWaalsContact O-N 3.09Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.3Å; Q75-F78 HydrophobicContact CB-CD2 3.87Å; Q75-F78 HydrophobicContact CB-CE2 4.23Å; Q75-F78 PolarHBondContact O-N 3.38Å; Q75-R79 WeakPolarHBondContact O-CG 3.43Å
76P96.4Very high96.6Very high89 Ų8941.7 Ų41.758%0.57820%0.197SC*.Hα-helixtrans-47.3-43.7-178.7-30.836000114.3F78 R79P76-F78 PolarHBondContact O-N 2.91Å; P76-R79 PolarHBondContact O-N 3.35Å
77R95.9Very high96.8Very high160 Ų16046.8 Ų46.860%0.60421%0.214SC*.Hα-helixtrans-59.8-16.717964.6175.7170.4171.90.1115.6Q75Q75-R77 HydrophobicContact CB-CG 4.2Å; Q75-R77 PolarHBondContact O-N 3.02Å; Q75-R77 VanDerWaalsContact O-N 3.09Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.3Å
78F96.2Very high96.7Very high24 Ų2449.4 Ų49.411%0.10524%0.241CC..Hα-helixtrans-107.7-9.8-178.8-58.4-49.1000113.7V53 G54 Q75 P76 S80 M81V53-F78 HydrophobicContact CB-CZ 4.34Å; V53-F78 HydrophobicContact CG1-CZ 3.85Å; G54-F78 VanDerWaalsContact N-CZ 3.26Å; Q75-F78 HydrophobicContact CB-CD2 3.87Å; Q75-F78 HydrophobicContact CB-CE2 4.23Å; Q75-F78 PolarHBondContact O-N 3.38Å; P76-F78 PolarHBondContact O-N 2.91Å; F78-S80 VanDerWaalsContact C-N 3.3Å; F78-S80 PolarHBondContact O-N 3.08Å; F78-M81 HydrophobicContact CB-CE 3.67Å; F78-M81 HydrophobicContact CD1-CE 3.6Å; F78-M81 HydrophobicContact CG-CE 3.99Å; F78-M81 WeakPolarHBondContact O-CB 3.32Å; F78-M81 PolarHBondContact O-N 2.93Å; F78-M81 VanDerWaalsContact O-N 3.09Å
79R97.3Very high96.7Very high46 Ų4647.2 Ų47.217%0.17423%0.233CC..Hα-helixtrans-68.3-28.7-173.9-57.4-170.6-171.8153.43.9113.4G74 Q75 P76 M81 W82 E110G74-R79 PolarHBondContact O-NE 2.95Å; G74-R79 PolarHBondContact O-NH2 3.28Å; G74-R79 VanDerWaalsContact O-NH2 3.08Å; Q75-R79 WeakPolarHBondContact O-CG 3.43Å; P76-R79 PolarHBondContact O-N 3.35Å; R79-M81 PolarHBondContact O-N 3.34Å; R79-M81 VanDerWaalsContact O-N 3.12Å; R79-W82 HydrophobicContact CB-CD2 4.19Å; R79-W82 HydrophobicContact CB-CZ2 4.23Å; R79-W82 HydrophobicContact CG-CD2 4.45Å; R79-W82 HydrophobicContact CG-CH2 4.06Å; R79-W82 HydrophobicContact CG-CZ2 3.6Å; R79-W82 VanDerWaalsContact O-CB 3.31Å; R79-W82 WeakPolarHBondContact O-CB 3.38Å; R79-W82 VanDerWaalsContact O-CG 3.26Å; R79-W82 PolarHBondContact O-N 3.42Å; R79-E110 VanDerWaalsContact CD-CD 3.44Å; R79-E110 VanDerWaalsContact CD-OE1 3.22Å; R79-E110 WeakPolarHBondContact CD-OE1 3.33Å; R79-E110 IonicContact CZ-OE1 3.8Å; R79-E110 IonicContact NE-OE1 2.7Å; R79-E110 IonicContact NH1-OE1 3.63Å; R79-E110 PolarHBondContact NH1-OE1 2.97Å
80S94.9Very high96.6Very high105 Ų10547.5 Ų47.573%0.73423%0.234SC*.THydrogen-bonded Turntrans-60.6-2017355.70000113.6F78F78-S80 VanDerWaalsContact C-N 3.3Å; F78-S80 PolarHBondContact O-N 3.08Å
81M95.1Very high96.7Very high46 Ų4645.4 Ų45.423%0.22723%0.226CC..THydrogen-bonded Turntrans-83.2-17.9176.4-61.1-174.3-61.500113.1F78 R79 E83 R84 Y85F78-M81 HydrophobicContact CB-CE 3.67Å; F78-M81 HydrophobicContact CD1-CE 3.6Å; F78-M81 HydrophobicContact CG-CE 3.99Å; F78-M81 WeakPolarHBondContact O-CB 3.32Å; F78-M81 PolarHBondContact O-N 2.93Å; F78-M81 VanDerWaalsContact O-N 3.09Å; R79-M81 PolarHBondContact O-N 3.34Å; R79-M81 VanDerWaalsContact O-N 3.12Å; M81-E83 VanDerWaalsContact C-N 3.32Å; M81-E83 PolarHBondContact O-N 2.86Å; M81-R84 WeakPolarHBondContact O-CB 3.46Å; M81-R84 PolarHBondContact O-N 3.4Å; M81-Y85 HydrophobicContact CB-CD2 4.19Å; M81-Y85 HydrophobicContact CB-CE2 4.19Å; M81-Y85 WeakPolarHBondContact O-CD2 3.49Å; M81-Y85 PolarHBondContact O-N 2.99Å
82W98.2Very high96.7Very high3 Ų345.3 Ų45.31%0.01123%0.226CC..Hα-helixtrans-54.6-47.9-172.9-68.51.7000112V26 G27 G73 R79 R84 Y85 C86 Y94 E110 L114V26-W82 HydrophobicContact CB-CD2 3.97Å; V26-W82 HydrophobicContact CB-CE3 4.23Å; V26-W82 HydrophobicContact CB-CG 4.23Å; V26-W82 HydrophobicContact CG1-CB 3.94Å; V26-W82 HydrophobicContact CG1-CD2 3.88Å; V26-W82 HydrophobicContact CG1-CG 3.6Å; G27-W82 WeakPolarHBondContact O-CZ2 3.22Å; G73-W82 PolarHBondContact O-NE1 2.85Å; G73-W82 VanDerWaalsContact O-NE1 3.1Å; R79-W82 HydrophobicContact CB-CD2 4.19Å; R79-W82 HydrophobicContact CB-CZ2 4.23Å; R79-W82 HydrophobicContact CG-CD2 4.45Å; R79-W82 HydrophobicContact CG-CH2 4.06Å; R79-W82 HydrophobicContact CG-CZ2 3.6Å; R79-W82 VanDerWaalsContact O-CB 3.31Å; R79-W82 WeakPolarHBondContact O-CB 3.38Å; R79-W82 VanDerWaalsContact O-CG 3.26Å; R79-W82 PolarHBondContact O-N 3.42Å; W82-R84 VanDerWaalsContact C-N 3.31Å; W82-R84 PolarHBondContact O-N 2.84Å; W82-Y85 PolarHBondContact O-N 3.3Å; W82-Y85 VanDerWaalsContact O-N 3.16Å; W82-C86 WeakPolarHBondContact O-CB 3Å; W82-C86 PolarHBondContact O-N 3.12Å; W82-C86 PolarHBondContact O-SG 3.41Å; W82-Y94 HydrophobicContact CH2-CE2 4.35Å; W82-Y94 AromaticContact CZ3-CE2 3.91Å; W82-Y94 HydrophobicContact CZ3-CE2 3.91Å; W82-E110 HydrophobicContact CH2-CB 4.24Å; W82-E110 HydrophobicContact CZ3-CB 3.89Å; W82-L114 HydrophobicContact CB-CD1 3.83Å; W82-L114 HydrophobicContact CE3-CD2 4.17Å
83E97.8Very high96.8Very high41 Ų4145.4 Ų45.419%0.19223%0.226CC..Hα-helixtrans-54.7-46.9178.3-174.5-166.6138.600111.9M81 Y85 C86 R87 L114 K117 Q119M81-E83 VanDerWaalsContact C-N 3.32Å; M81-E83 PolarHBondContact O-N 2.86Å; E83-Y85 VanDerWaalsContact C-N 3.3Å; E83-Y85 PolarHBondContact O-N 3.01Å; E83-C86 PolarHBondContact O-N 3.13Å; E83-R87 WeakPolarHBondContact O-CG 3.25Å; E83-R87 PolarHBondContact O-N 3.42Å; E83-R87 IonicContact OE1-CZ 3.61Å; E83-R87 IonicContact OE1-NE 3.13Å; E83-R87 IonicContact OE1-NH2 2.7Å; E83-R87 PolarHBondContact OE1-NH2 2.84Å; E83-L114 HydrophobicContact CB-CD1 4.4Å; E83-K117 HydrophobicContact CB-CG 4.39Å; E83-K117 HydrophobicContact CG-CB 4Å; E83-K117 HydrophobicContact CG-CG 3.85Å; E83-K117 WeakPolarHBondContact OE2-CD 3.36Å; E83-Q119 PolarHBondContact OE1-OE1 3.11Å
84R97.1Very high96.9Very high172 Ų17245.4 Ų45.465%0.64923%0.226SC*.Hα-helixtrans-58.1-41.9-178.9177.5-176.8173.5-176.2-0.9112M81 W82M81-R84 WeakPolarHBondContact O-CB 3.46Å; M81-R84 PolarHBondContact O-N 3.4Å; W82-R84 VanDerWaalsContact C-N 3.31Å; W82-R84 PolarHBondContact O-N 2.84Å
85Y97.6Very high97Very high27 Ų2745.2 Ų45.211%0.10622%0.224CC..Hα-helixtrans-85.7-18.6-177.4-72.5-87.2000113.1T24 F55 W70 I72 M81 W82 E83 R87 V89T24-Y85 PolarHBondContact OG1-O 3.3Å; F55-Y85 HydrophobicContact CD1-CE2 4.16Å; F55-Y85 AromaticContact CD1-CZ 3.74Å; F55-Y85 VanDerWaalsContact CD1-OH 3.23Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.49Å; F55-Y85 AromaticContact CD2-CE1 3.99Å; F55-Y85 HydrophobicContact CD2-CE1 3.99Å; F55-Y85 AromaticContact CE1-CZ 3.93Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.48Å; F55-Y85 HydrophobicContact CE2-CE1 4.24Å; F55-Y85 HydrophobicContact CG-CE1 4.15Å; F55-Y85 HydrophobicContact CG-CE2 4.36Å; F55-Y85 AromaticContact CG-CZ 3.81Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.35Å; W70-Y85 HydrophobicContact CB-CD1 4.37Å; W70-Y85 AromaticContact CD2-CD1 3.76Å; W70-Y85 HydrophobicContact CD2-CD1 3.76Å; W70-Y85 HydrophobicContact CD2-CE1 4.13Å; W70-Y85 AromaticContact CE3-CD1 3.77Å; W70-Y85 HydrophobicContact CE3-CD1 3.77Å; W70-Y85 AromaticContact CE3-CE1 3.7Å; W70-Y85 HydrophobicContact CE3-CE1 3.7Å; W70-Y85 HydrophobicContact CG-CD1 4.04Å; W70-Y85 HydrophobicContact CH2-CE1 4.33Å; W70-Y85 HydrophobicContact CZ3-CD1 4.3Å; W70-Y85 AromaticContact CZ3-CE1 3.81Å; W70-Y85 HydrophobicContact CZ3-CE1 3.81Å; I72-Y85 HydrophobicContact CD1-CD1 4.03Å; I72-Y85 HydrophobicContact CD1-CD2 3.9Å; I72-Y85 HydrophobicContact CD1-CG 3.64Å; M81-Y85 HydrophobicContact CB-CD2 4.19Å; M81-Y85 HydrophobicContact CB-CE2 4.19Å; M81-Y85 WeakPolarHBondContact O-CD2 3.49Å; M81-Y85 PolarHBondContact O-N 2.99Å; W82-Y85 PolarHBondContact O-N 3.3Å; W82-Y85 VanDerWaalsContact O-N 3.16Å; E83-Y85 VanDerWaalsContact C-N 3.3Å; E83-Y85 PolarHBondContact O-N 3.01Å; Y85-R87 VanDerWaalsContact C-N 3.33Å; Y85-V89 WeakPolarHBondContact O-CG1 3.48Å
86C98.4Very high97.1Very high0 Ų043.9 Ų43.90%022%0.218CC..Hα-helixtrans-79.8-12.7174-70.60000113.3T24 W82 E83 G88 V89 I92 L120 I123T24-C86 VanDerWaalsContact CG2-SG 3.52Å; W82-C86 WeakPolarHBondContact O-CB 3Å; W82-C86 PolarHBondContact O-N 3.12Å; W82-C86 PolarHBondContact O-SG 3.41Å; E83-C86 PolarHBondContact O-N 3.13Å; C86-G88 PolarHBondContact O-N 3.21Å; C86-V89 VanDerWaalsContact O-CG2 3.31Å; C86-V89 WeakPolarHBondContact O-CG2 3.31Å; C86-I92 HydrophobicContact CB-CD1 3.77Å; C86-I92 HydrophobicContact CB-CG1 3.99Å; C86-L120 VanDerWaalsContact C-CD2 3.49Å; C86-L120 HydrophobicContact CB-CD1 3.67Å; C86-L120 HydrophobicContact CB-CD2 3.57Å; C86-L120 HydrophobicContact CB-CG 4.29Å; C86-I123 VanDerWaalsContact O-CD1 3.23Å; C86-I123 WeakPolarHBondContact O-CD1 3.37Å
87R96.2Very high97.2Very high127 Ų12740.6 Ų40.648%0.47920%0.196SC..THydrogen-bonded Turntrans-66.8129.3-179.3-72.6170.2-170.1179.21.5111.6E83 Y85 V89 Q119 L120E83-R87 WeakPolarHBondContact O-CG 3.25Å; E83-R87 PolarHBondContact O-N 3.42Å; E83-R87 IonicContact OE1-CZ 3.61Å; E83-R87 IonicContact OE1-NE 3.13Å; E83-R87 IonicContact OE1-NH2 2.7Å; E83-R87 PolarHBondContact OE1-NH2 2.84Å; Y85-R87 VanDerWaalsContact C-N 3.33Å; R87-V89 PolarHBondContact O-N 3.36Å; R87-Q119 HydrophobicContact CG-CB 4.13Å; R87-L120 HydrophobicContact CG-CD2 3.91Å
88G92.4Very high97.4Very high55 Ų5533 Ų3357%0.56717%0.167SC*.THydrogen-bonded Turntrans70.59.9171.600000115.5C86C86-G88 PolarHBondContact O-N 3.21Å
89V96.9Very high97.5Very high10 Ų1033.1 Ų33.16%0.06117%0.172CC..  trans-74.5156.9173.6-54.20000110.7E22 T24 Y85 C86 R87 A91 I92 I123E22-V89 HydrophobicContact CG-CG1 4.2Å; E22-V89 WeakPolarHBondContact O-CB 3.47Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.3Å; Y85-V89 WeakPolarHBondContact O-CG1 3.48Å; C86-V89 VanDerWaalsContact O-CG2 3.31Å; C86-V89 WeakPolarHBondContact O-CG2 3.31Å; R87-V89 PolarHBondContact O-N 3.36Å; V89-A91 VanDerWaalsContact CG2-O 3.3Å; V89-A91 WeakPolarHBondContact CG2-O 3.32Å; V89-I92 HydrophobicContact CG2-CG1 3.94Å; V89-I123 HydrophobicContact CG2-CG2 3.87Å
90N96.9Very high97.5Very high11 Ų1132.5 Ų32.56%0.05917%0.172CC..SBendtrans-69.2-35.5175.5-67.889.1000112.2M21 E22 P124 H180M21-N90 WeakPolarHBondContact CA-OD1 3.49Å; M21-N90 HydrophobicContact CE-CB 3.67Å; M21-N90 HydrophobicContact CG-CB 3.67Å; E22-N90 PolarHBondContact N-OD1 2.83Å; E22-N90 WeakPolarHBondContact O-CB 3.36Å; E22-N90 PolarHBondContact O-N 2.88Å; E22-N90 PolarHBondContact O-OD1 3.16Å; N90-P124 WeakPolarHBondContact O-CD 3.32Å; N90-H180 PolarHBondContact ND2-O 3.26Å
91A98.4Very high97.6Very high0 Ų033.4 Ų33.40%016%0.16CC..EExtended strand (participates in β ladder)trans-156.1151.3173.500000111.4M21 L23 T24 V89 P124 W176M21-A91 HydrophobicContact CE-CB 4.27Å; L23-A91 WeakPolarHBondContact CA-O 3.43Å; L23-A91 HydrophobicContact CD2-CB 3.68Å; L23-A91 WeakPolarHBondContact CD2-O 3.4Å; T24-A91 PolarHBondContact N-O 2.98Å; V89-A91 VanDerWaalsContact CG2-O 3.3Å; V89-A91 WeakPolarHBondContact CG2-O 3.32Å; A91-P124 CarbonylContact C-O 3.54Å; A91-P124 WeakPolarHBondContact CA-O 3.31Å; A91-P124 HydrophobicContact CB-CB 4.31Å; A91-W176 HydrophobicContact CB-CH2 4.18Å; A91-W176 HydrophobicContact CB-CZ3 3.89Å
92I98.7Very high97.7Very high0 Ų040.1 Ų40.10%019%0.19CC..EExtended strand (participates in β ladder)trans-95.8127.8169.9-61.1167.7000107.6V26 C86 V89 L115 L120 I123 P124 V125 L126V26-I92 HydrophobicContact CG2-CG2 3.66Å; C86-I92 HydrophobicContact CB-CD1 3.77Å; C86-I92 HydrophobicContact CB-CG1 3.99Å; V89-I92 HydrophobicContact CG2-CG1 3.94Å; I92-L115 HydrophobicContact CD1-CD2 4.3Å; I92-L120 HydrophobicContact CD1-CD1 4.15Å; I92-I123 HydrophobicContact CD1-CB 4.39Å; I92-I123 HydrophobicContact CD1-CG2 4.1Å; I92-I123 HydrophobicContact CG1-CG2 3.88Å; I92-P124 PolarHBondContact N-O 2.93Å; I92-V125 HydrophobicContact CB-CG2 4.36Å; I92-V125 CarbonylContact O-C 3.56Å; I92-V125 WeakPolarHBondContact O-CA 3.37Å; I92-L126 PolarHBondContact O-N 2.83Å
93V98.9Very high97.7Very high3 Ų344 Ų442%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-101.9116.3171.3-174.50000108.3T24 L25 V26 L126 L128 L177T24-V93 PolarHBondContact O-N 3.5Å; L25-V93 WeakPolarHBondContact CA-O 3.34Å; L25-V93 HydrophobicContact CD1-CB 3.58Å; L25-V93 HydrophobicContact CD1-CG1 3.37Å; V26-V93 PolarHBondContact N-O 3.22Å; V93-L126 CarbonylContact C-O 3.43Å; V93-L126 WeakPolarHBondContact CA-O 2.84Å; V93-L126 HydrophobicContact CG2-CB 4.49Å; V93-L128 HydrophobicContact CG1-CD1 3.46Å; V93-L128 VanDerWaalsContact CG1-CD1 3.46Å; V93-L128 HydrophobicContact CG1-CG 3.96Å; V93-L177 HydrophobicContact CG2-CD2 3.83Å
94Y98.9Very high97.8Very high0 Ų042.5 Ų42.50%020%0.201CC..EExtended strand (participates in β ladder)trans-105.1110.3179.2-165.2-92.4000110.7V26 W82 I96 S107 E110 L111 L126 V127 L128 M147V26-Y94 HydrophobicContact CG2-CD2 3.83Å; V26-Y94 WeakPolarHBondContact O-CA 3.32Å; W82-Y94 HydrophobicContact CH2-CE2 4.35Å; W82-Y94 AromaticContact CZ3-CE2 3.91Å; W82-Y94 HydrophobicContact CZ3-CE2 3.91Å; Y94-I96 HydrophobicContact CD1-CD1 4.36Å; Y94-I96 HydrophobicContact CD1-CG1 3.86Å; Y94-I96 HydrophobicContact CE1-CG1 3.94Å; Y94-S107 WeakPolarHBondContact CE1-OG 3.31Å; Y94-S107 PolarHBondContact OH-O 3.19Å; Y94-S107 PolarHBondContact OH-OG 3.16Å; Y94-E110 WeakPolarHBondContact OH-CB 3.39Å; Y94-L111 HydrophobicContact CD1-CB 4.26Å; Y94-L111 HydrophobicContact CD1-CD1 4.1Å; Y94-L111 HydrophobicContact CD1-CD2 4.3Å; Y94-L111 HydrophobicContact CD1-CG 4.46Å; Y94-L111 HydrophobicContact CD2-CB 4.34Å; Y94-L111 HydrophobicContact CD2-CD1 3.67Å; Y94-L111 HydrophobicContact CE1-CB 3.85Å; Y94-L111 HydrophobicContact CE2-CB 3.99Å; Y94-L111 HydrophobicContact CE2-CD1 4.16Å; Y94-L111 HydrophobicContact CG-CB 4.49Å; Y94-L111 HydrophobicContact CG-CD1 3.66Å; Y94-L111 HydrophobicContact CG-CG 4.48Å; Y94-L111 PolarHBondContact OH-N 3.1Å; Y94-L126 PolarHBondContact N-O 2.72Å; Y94-V127 WeakPolarHBondContact O-CA 3.31Å; Y94-L128 PolarHBondContact O-N 3.45Å; Y94-M147 HydrophobicContact CE1-CE 4.01Å
95M98.9Very high97.8Very high0 Ų040 Ų400%020%0.196CC..EExtended strand (participates in β ladder)trans-95.7123.8-173.8-172.968.572.300111.8L25 V26 S31 K33 F36 L128 N130 I162L25-M95 HydrophobicContact CD1-CB 4.26Å; L25-M95 HydrophobicContact CD1-CE 4.23Å; V26-M95 PolarHBondContact O-N 2.83Å; S31-M95 WeakPolarHBondContact CB-O 3.44Å; S31-M95 VanDerWaalsContact O-CG 3.28Å; S31-M95 WeakPolarHBondContact O-CG 3.47Å; S31-M95 WeakPolarHBondContact OG-CG 3.5Å; S31-M95 PolarHBondContact OG-O 3.18Å; K33-M95 HydrophobicContact CD-CB 4.43Å; K33-M95 HydrophobicContact CG-CB 3.6Å; K33-M95 HydrophobicContact CG-CG 4.03Å; F36-M95 HydrophobicContact CB-CE 3.57Å; F36-M95 HydrophobicContact CD1-CE 4.26Å; F36-M95 HydrophobicContact CD2-CE 4.14Å; F36-M95 HydrophobicContact CG-CE 3.74Å; M95-L128 HydrophobicContact CE-CB 4.09Å; M95-L128 HydrophobicContact CE-CD1 3.84Å; M95-L128 HydrophobicContact SD-CB 3.75Å; M95-N130 HydrophobicContact CG-CB 4.45Å; M95-N130 HydrophobicContact SD-CB 3.41Å; M95-N130 WeakPolarHBondContact SD-CB 3.35Å; M95-I162 HydrophobicContact CE-CD1 4.24Å; M95-I162 HydrophobicContact SD-CD1 4.42Å
96I98.8Very high97.9Very high2 Ų240.8 Ų40.81%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-113.2140.6178.3-54.3167.9000108.5Y94 A98 I104 V127 L128 N130 L143 M147Y94-I96 HydrophobicContact CD1-CD1 4.36Å; Y94-I96 HydrophobicContact CD1-CG1 3.86Å; Y94-I96 HydrophobicContact CE1-CG1 3.94Å; I96-A98 PolarHBondContact O-N 3.19Å; I96-I104 HydrophobicContact CG2-CD1 3.58Å; I96-V127 HydrophobicContact CD1-CG1 3.36Å; I96-V127 HydrophobicContact CG1-CG1 4.24Å; I96-L128 PolarHBondContact N-O 2.95Å; I96-N130 PolarHBondContact O-N 3.14Å; I96-L143 HydrophobicContact CD1-CD2 4.18Å; I96-L143 HydrophobicContact CG2-CD2 4.17Å; I96-M147 HydrophobicContact CD1-CE 3.57Å; I96-M147 HydrophobicContact CD1-CG 3.62Å; I96-M147 HydrophobicContact CD1-SD 3.67Å; I96-M147 HydrophobicContact CG1-CE 4.2Å
97D98.5Very high97.9Very high21 Ų2141 Ų4111%0.11221%0.21CC..EExtended strand (participates in β ladder)trans-79.2106.6162.2-173.4-24.6000108A99 D100 K131D97-A99 PolarHBondContact O-N 3.11Å; D97-A99 PolarHBondContact OD1-N 2.93Å; D97-D100 HydrophobicContact CB-CB 3.83Å; D97-D100 PolarHBondContact O-N 3.02Å; D97-D100 PolarHBondContact OD1-N 3.49Å; D97-D100 VanDerWaalsContact OD1-N 3.11Å; D97-K131 VanDerWaalsContact OD2-CE 3.27Å; D97-K131 WeakPolarHBondContact OD2-CE 3.33Å; D97-K131 IonicContact OD2-NZ 2.94Å; D97-K131 PolarHBondContact OD2-NZ 3.26Å
98A98.7Very high98Very high0 Ų038.4 Ų38.40%020%0.2CC..SBendtrans-70-20.6-177.100000112.5I96 N130 A137 L138 L143I96-A98 PolarHBondContact O-N 3.19Å; A98-N130 VanDerWaalsContact CB-O 3.26Å; A98-N130 WeakPolarHBondContact CB-O 3.43Å; A98-N130 PolarHBondContact N-O 3.09Å; A98-A137 HydrophobicContact CB-CB 4.19Å; A98-A137 CarbonylContact O-C 3.55Å; A98-A137 WeakPolarHBondContact O-CA 3.34Å; A98-L138 HydrophobicContact CB-CB 4.48Å; A98-L138 PolarHBondContact O-N 2.98Å; A98-L143 HydrophobicContact CB-CD1 4.49Å
99A98.3Very high98.3Very high26 Ų2639.2 Ų39.222%0.21519%0.191CC..SBendtrans-89.3-23179.700000112.8D97 R101 L134 A137D97-A99 PolarHBondContact O-N 3.11Å; D97-A99 PolarHBondContact OD1-N 2.93Å; A99-R101 PolarHBondContact O-N 3.32Å; A99-R101 VanDerWaalsContact O-N 3.11Å; A99-L134 HydrophobicContact CB-CB 3.77Å; A99-L134 HydrophobicContact CB-CD1 3.91Å; A99-L134 HydrophobicContact CB-CG 4.46Å; A99-A137 HydrophobicContact CB-CB 4.4Å
100D97.7Very high98.4Very high34 Ų3441 Ų4118%0.18220%0.199CC..  trans-84.977.3176.7-169.2-15000111.7D97 E102 K103D97-D100 HydrophobicContact CB-CB 3.83Å; D97-D100 PolarHBondContact O-N 3.02Å; D97-D100 PolarHBondContact OD1-N 3.49Å; D97-D100 VanDerWaalsContact OD1-N 3.11Å; D100-E102 PolarHBondContact O-N 2.89Å; D100-E102 PolarHBondContact OD1-N 2.8Å; D100-K103 PolarHBondContact O-N 3.15Å; D100-K103 PolarHBondContact OD1-N 3.47Å; D100-K103 WeakPolarHBondContact OD2-CD 3.48Å; D100-K103 WeakPolarHBondContact OD2-CE 3.44Å; D100-K103 WeakPolarHBondContact OD2-CG 3.19Å; D100-K103 IonicContact OD2-NZ 3.48Å; D100-K103 PolarHBondContact OD2-NZ 2.86Å
101R97.6Very high98.5Very high123 Ų12340.5 Ų40.546%0.46420%0.196SC..G310 helixtrans-61.4-28.8-178.5-66.7-173.8177.8-160.4-2.3113.5A99 K103 I104 N136 L138A99-R101 PolarHBondContact O-N 3.32Å; A99-R101 VanDerWaalsContact O-N 3.11Å; R101-K103 VanDerWaalsContact C-N 3.27Å; R101-K103 PolarHBondContact O-N 3.4Å; R101-I104 PolarHBondContact O-N 3.5Å; R101-N136 PolarHBondContact NE-O 3.23Å; R101-N136 PolarHBondContact NH2-O 2.88Å; R101-L138 HydrophobicContact CG-CD2 4.48Å
102E97.9Very high98.5Very high187 Ų18742.2 Ų42.287%0.87421%0.205SC*.G310 helixtrans-67.2-30.2-179.3-62.5-177.4174.900111.8D100D100-E102 PolarHBondContact O-N 2.89Å; D100-E102 PolarHBondContact OD1-N 2.8Å
103K97.7Very high98.5Very high85 Ų8546.4 Ų46.437%0.3723%0.227SC..G310 helixtrans-92.7-1.7-179-66.7-164.9-169.4111.30114.9L28 D100 R101 E105 A106 S107L28-K103 HydrophobicContact CD1-CB 3.9Å; L28-K103 HydrophobicContact CD1-CD 4.29Å; D100-K103 PolarHBondContact O-N 3.15Å; D100-K103 PolarHBondContact OD1-N 3.47Å; D100-K103 WeakPolarHBondContact OD2-CD 3.48Å; D100-K103 WeakPolarHBondContact OD2-CE 3.44Å; D100-K103 WeakPolarHBondContact OD2-CG 3.19Å; D100-K103 IonicContact OD2-NZ 3.48Å; D100-K103 PolarHBondContact OD2-NZ 2.86Å; R101-K103 VanDerWaalsContact C-N 3.27Å; R101-K103 PolarHBondContact O-N 3.4Å; K103-E105 VanDerWaalsContact C-N 3.34Å; K103-E105 PolarHBondContact O-N 3.34Å; K103-A106 PolarHBondContact O-N 3.28Å; K103-S107 VanDerWaalsContact O-CB 3.31Å; K103-S107 WeakPolarHBondContact O-CB 3.49Å; K103-S107 PolarHBondContact O-N 3.36Å
104I98.5Very high98.5Very high10 Ų1046.6 Ų46.65%0.05123%0.228CC..Hα-helixtrans-61.4-42.3-176.2-65.3-65.3000111.9I96 R101 S107 R108 L138 L143 K146 M147I96-I104 HydrophobicContact CG2-CD1 3.58Å; R101-I104 PolarHBondContact O-N 3.5Å; I104-S107 WeakPolarHBondContact O-CB 2.95Å; I104-S107 PolarHBondContact O-N 3.01Å; I104-R108 WeakPolarHBondContact O-CB 3.34Å; I104-R108 PolarHBondContact O-N 3.41Å; I104-L138 HydrophobicContact CD1-CD1 3.69Å; I104-L138 HydrophobicContact CG1-CD1 3.8Å; I104-L143 HydrophobicContact CD1-CD2 4.43Å; I104-K146 HydrophobicContact CG2-CB 3.75Å; I104-K146 HydrophobicContact CG2-CD 4.26Å; I104-M147 HydrophobicContact CG2-SD 4.06Å
105E98.6Very high98.5Very high118 Ų11847.1 Ų47.155%0.55123%0.23SC*.Hα-helixtrans-64.6-45.9177.6171.7158.7-134.300112.2K103 S107 R108 N109K103-E105 VanDerWaalsContact C-N 3.34Å; K103-E105 PolarHBondContact O-N 3.34Å; E105-S107 VanDerWaalsContact C-N 3.25Å; E105-S107 PolarHBondContact O-N 3.29Å; E105-R108 WeakPolarHBondContact O-CB 3.32Å; E105-R108 PolarHBondContact O-N 2.66Å; E105-R108 IonicContact OE1-NH2 3.82Å; E105-R108 PolarHBondContact OE1-NH2 2.9Å; E105-N109 PolarHBondContact O-N 3.09Å; E105-N109 PolarHBondContact O-OD1 3.48Å
106A98.6Very high98.4Very high45 Ų4552.7 Ų52.737%0.37226%0.26SS..Hα-helixtrans-60.4-39.9175.100000111.2L28 K103 N109 E110L28-A106 HydrophobicContact CD1-CB 4.23Å; K103-A106 PolarHBondContact O-N 3.28Å; A106-N109 PolarHBondContact O-N 3.18Å; A106-E110 VanDerWaalsContact O-CG 3.24Å; A106-E110 WeakPolarHBondContact O-CG 3.29Å; A106-E110 PolarHBondContact O-N 3.1Å; A106-E110 VanDerWaalsContact O-N 3.09Å
107S98.8Very high98.4Very high3 Ų356.3 Ų56.32%0.02128%0.276CS..Hα-helixtrans-64.9-42177.4-164.50000111.7Y94 K103 I104 E105 L111Y94-S107 WeakPolarHBondContact CE1-OG 3.31Å; Y94-S107 PolarHBondContact OH-O 3.19Å; Y94-S107 PolarHBondContact OH-OG 3.16Å; K103-S107 VanDerWaalsContact O-CB 3.31Å; K103-S107 WeakPolarHBondContact O-CB 3.49Å; K103-S107 PolarHBondContact O-N 3.36Å; I104-S107 WeakPolarHBondContact O-CB 2.95Å; I104-S107 PolarHBondContact O-N 3.01Å; E105-S107 VanDerWaalsContact C-N 3.25Å; E105-S107 PolarHBondContact O-N 3.29Å; S107-L111 PolarHBondContact O-N 2.61Å
108R98.9Very high98.2Very high73 Ų7359.6 Ų59.628%0.27530%0.299SS..Hα-helixtrans-59-52.6174177.6-171.567.8-157.7-1.5110.7I104 E105 E110 L111 H112 K146 M147I104-R108 WeakPolarHBondContact O-CB 3.34Å; I104-R108 PolarHBondContact O-N 3.41Å; E105-R108 WeakPolarHBondContact O-CB 3.32Å; E105-R108 PolarHBondContact O-N 2.66Å; E105-R108 IonicContact OE1-NH2 3.82Å; E105-R108 PolarHBondContact OE1-NH2 2.9Å; R108-E110 VanDerWaalsContact C-N 3.27Å; R108-E110 PolarHBondContact O-N 2.95Å; R108-L111 WeakPolarHBondContact O-CB 3.1Å; R108-L111 PolarHBondContact O-N 2.95Å; R108-L111 VanDerWaalsContact O-N 3.11Å; R108-H112 PolarHBondContact O-CD2 3.04Å; R108-H112 VanDerWaalsContact O-CD2 3.26Å; R108-H112 PolarHBondContact O-N 3.14Å; R108-K146 WeakPolarHBondContact CD-O 3.37Å; R108-M147 VanDerWaalsContact CA-CE 3.45Å; R108-M147 HydrophobicContact CB-CE 4.11Å; R108-M147 HydrophobicContact CB-SD 4.04Å
109N98.8Very high98.1Very high72 Ų7264.6 Ų64.639%0.38532%0.322SS..Hα-helixtrans-60.5-40.7-175.8-62.9-10.1000111E105 A106 N113E105-N109 PolarHBondContact O-N 3.09Å; E105-N109 PolarHBondContact O-OD1 3.48Å; A106-N109 PolarHBondContact O-N 3.18Å; N109-N113 WeakPolarHBondContact O-CB 3.41Å; N109-N113 PolarHBondContact O-N 3.45Å; N109-N113 PolarHBondContact O-ND2 3.17Å; N109-N113 VanDerWaalsContact O-ND2 3.14Å
110E98.7Very high98.1Very high48 Ų4863.3 Ų63.322%0.22431%0.311CS..Hα-helixtrans-67.5-36.5176.1-68.1-72.9-175.400113.4L28 R79 W82 Y94 A106 R108 L114L28-E110 HydrophobicContact CD2-CB 4.43Å; L28-E110 HydrophobicContact CD2-CG 3.99Å; R79-E110 VanDerWaalsContact CD-CD 3.44Å; R79-E110 VanDerWaalsContact CD-OE1 3.22Å; R79-E110 WeakPolarHBondContact CD-OE1 3.33Å; R79-E110 IonicContact CZ-OE1 3.8Å; R79-E110 IonicContact NE-OE1 2.7Å; R79-E110 IonicContact NH1-OE1 3.63Å; R79-E110 PolarHBondContact NH1-OE1 2.97Å; W82-E110 HydrophobicContact CH2-CB 4.24Å; W82-E110 HydrophobicContact CZ3-CB 3.89Å; Y94-E110 WeakPolarHBondContact OH-CB 3.39Å; A106-E110 VanDerWaalsContact O-CG 3.24Å; A106-E110 WeakPolarHBondContact O-CG 3.29Å; A106-E110 PolarHBondContact O-N 3.1Å; A106-E110 VanDerWaalsContact O-N 3.09Å; R108-E110 VanDerWaalsContact C-N 3.27Å; R108-E110 PolarHBondContact O-N 2.95Å; E110-L114 VanDerWaalsContact O-CB 3.32Å; E110-L114 WeakPolarHBondContact O-CB 3.22Å; E110-L114 PolarHBondContact O-N 2.89Å; E110-L114 VanDerWaalsContact O-N 3.1Å
111L98.9Very high98Very high0 Ų068.2 Ų68.20%033%0.333CS..Hα-helixtrans-62.6-54.2173.5175.360.8000110.8Y94 S107 R108 N113 L114 L115 V125 V127 M147 L149 I152Y94-L111 HydrophobicContact CD1-CB 4.26Å; Y94-L111 HydrophobicContact CD1-CD1 4.1Å; Y94-L111 HydrophobicContact CD1-CD2 4.3Å; Y94-L111 HydrophobicContact CD1-CG 4.46Å; Y94-L111 HydrophobicContact CD2-CB 4.34Å; Y94-L111 HydrophobicContact CD2-CD1 3.67Å; Y94-L111 HydrophobicContact CE1-CB 3.85Å; Y94-L111 HydrophobicContact CE2-CB 3.99Å; Y94-L111 HydrophobicContact CE2-CD1 4.16Å; Y94-L111 HydrophobicContact CG-CB 4.49Å; Y94-L111 HydrophobicContact CG-CD1 3.66Å; Y94-L111 HydrophobicContact CG-CG 4.48Å; Y94-L111 PolarHBondContact OH-N 3.1Å; S107-L111 PolarHBondContact O-N 2.61Å; R108-L111 WeakPolarHBondContact O-CB 3.1Å; R108-L111 PolarHBondContact O-N 2.95Å; R108-L111 VanDerWaalsContact O-N 3.11Å; L111-N113 PolarHBondContact O-N 2.85Å; L111-L114 WeakPolarHBondContact O-CB 3.32Å; L111-L114 PolarHBondContact O-N 3.24Å; L111-L114 VanDerWaalsContact O-N 3.16Å; L111-L115 HydrophobicContact CD1-CD1 3.66Å; L111-L115 HydrophobicContact CD1-CD2 4.46Å; L111-L115 HydrophobicContact CD1-CG 3.92Å; L111-L115 HydrophobicContact CG-CD1 4.05Å; L111-L115 HydrophobicContact CG-CG 4.48Å; L111-L115 WeakPolarHBondContact O-CG 3.23Å; L111-L115 PolarHBondContact O-N 3.23Å; L111-V125 HydrophobicContact CD1-CG1 4.48Å; L111-V127 HydrophobicContact CD2-CG2 4.32Å; L111-M147 HydrophobicContact CB-CE 4.22Å; L111-M147 HydrophobicContact CD2-CE 3.87Å; L111-L149 HydrophobicContact CD2-CD2 3.68Å; L111-I152 HydrophobicContact CD2-CD1 4.43Å
112H98.8Very high98Very high37 Ų3764.4 Ų64.417%0.17133%0.332CS..Hα-helixtrans-63.5-43.7-178.3-75.2-89.1000111.4R108 L114 L115 D116 M147 N148R108-H112 PolarHBondContact O-CD2 3.04Å; R108-H112 VanDerWaalsContact O-CD2 3.26Å; R108-H112 PolarHBondContact O-N 3.14Å; H112-L114 PolarHBondContact O-N 3.49Å; H112-L115 PolarHBondContact O-N 3.4Å; H112-L115 VanDerWaalsContact O-N 3.08Å; H112-D116 WeakPolarHBondContact O-CB 3.49Å; H112-D116 VanDerWaalsContact O-CG 3.24Å; H112-D116 PolarHBondContact O-N 2.7Å; H112-M147 PolarHBondContact NE2-O 3.31Å; H112-N148 PolarHBondContact CE1-O 2.96Å; H112-N148 PolarHBondContact NE2-O 3.19Å
113N98.6Very high97.9Very high87 Ų8756.3 Ų56.347%0.46530%0.295SS..Hα-helixtrans-58.1-33.5174.7-74-19.3000113.6N109 L111 K117N109-N113 WeakPolarHBondContact O-CB 3.41Å; N109-N113 PolarHBondContact O-N 3.45Å; N109-N113 PolarHBondContact O-ND2 3.17Å; N109-N113 VanDerWaalsContact O-ND2 3.14Å; L111-N113 PolarHBondContact O-N 2.85Å; N113-K117 VanDerWaalsContact O-CE 3.31Å; N113-K117 WeakPolarHBondContact O-CE 3.37Å
114L98.7Very high98Very high8 Ų853.4 Ų53.44%0.04228%0.284CS..Hα-helixtrans-73.8-44.2175.1177.966.5000111.1V26 W82 E83 E110 L111 H112 D116 K117 L120V26-L114 HydrophobicContact CG2-CD2 3.89Å; W82-L114 HydrophobicContact CB-CD1 3.83Å; W82-L114 HydrophobicContact CE3-CD2 4.17Å; E83-L114 HydrophobicContact CB-CD1 4.4Å; E110-L114 VanDerWaalsContact O-CB 3.32Å; E110-L114 WeakPolarHBondContact O-CB 3.22Å; E110-L114 PolarHBondContact O-N 2.89Å; E110-L114 VanDerWaalsContact O-N 3.1Å; L111-L114 WeakPolarHBondContact O-CB 3.32Å; L111-L114 PolarHBondContact O-N 3.24Å; L111-L114 VanDerWaalsContact O-N 3.16Å; H112-L114 PolarHBondContact O-N 3.49Å; L114-D116 VanDerWaalsContact C-N 3.32Å; L114-D116 PolarHBondContact O-N 3.49Å; L114-K117 WeakPolarHBondContact O-CB 3.5Å; L114-K117 WeakPolarHBondContact O-CG 3.19Å; L114-K117 PolarHBondContact O-N 2.89Å; L114-L120 HydrophobicContact CD1-CD1 3.59Å; L114-L120 HydrophobicContact CG-CD1 3.91Å; L114-L120 WeakPolarHBondContact O-CD1 3.46Å
115L98.5Very high98Very high10 Ų1053 Ų535%0.05228%0.282CS..Hα-helixtrans-75.3-21.6-175.9-61.3-175.7000113.4I92 L111 H112 K117 V125 I152 R155I92-L115 HydrophobicContact CD1-CD2 4.3Å; L111-L115 HydrophobicContact CD1-CD1 3.66Å; L111-L115 HydrophobicContact CD1-CD2 4.46Å; L111-L115 HydrophobicContact CD1-CG 3.92Å; L111-L115 HydrophobicContact CG-CD1 4.05Å; L111-L115 HydrophobicContact CG-CG 4.48Å; L111-L115 WeakPolarHBondContact O-CG 3.23Å; L111-L115 PolarHBondContact O-N 3.23Å; H112-L115 PolarHBondContact O-N 3.4Å; H112-L115 VanDerWaalsContact O-N 3.08Å; L115-K117 PolarHBondContact O-N 3.02Å; L115-K117 VanDerWaalsContact O-N 3.16Å; L115-V125 HydrophobicContact CD1-CG2 4.08Å; L115-V125 HydrophobicContact CD2-CG2 3.61Å; L115-I152 HydrophobicContact CD1-CD1 3.5Å; L115-I152 HydrophobicContact CD1-CG1 4.12Å; L115-I152 HydrophobicContact CD1-CG2 4.24Å; L115-R155 PolarHBondContact O-NH2 3.16Å; L115-R155 VanDerWaalsContact O-NH2 3.15Å
116D97.1Very high98Very high117 Ų11747.3 Ų47.363%0.62626%0.256SS*.THydrogen-bonded Turntrans-65.7-9.6170.8-75.2-13.4000113.4H112 L114 P118H112-D116 WeakPolarHBondContact O-CB 3.49Å; H112-D116 VanDerWaalsContact O-CG 3.24Å; H112-D116 PolarHBondContact O-N 2.7Å; L114-D116 VanDerWaalsContact C-N 3.32Å; L114-D116 PolarHBondContact O-N 3.49Å; D116-P118 VanDerWaalsContact O-CD 3.29Å; D116-P118 WeakPolarHBondContact O-CD 3.49Å
117K97.7Very high98Very high79 Ų7945.2 Ų45.234%0.34324%0.238SC..  trans-73118179.3-58-53.7-178.7-155.40110.2E83 N113 L114 L115 Q119 L120E83-K117 HydrophobicContact CB-CG 4.39Å; E83-K117 HydrophobicContact CG-CB 4Å; E83-K117 HydrophobicContact CG-CG 3.85Å; E83-K117 WeakPolarHBondContact OE2-CD 3.36Å; N113-K117 VanDerWaalsContact O-CE 3.31Å; N113-K117 WeakPolarHBondContact O-CE 3.37Å; L114-K117 WeakPolarHBondContact O-CB 3.5Å; L114-K117 WeakPolarHBondContact O-CG 3.19Å; L114-K117 PolarHBondContact O-N 2.89Å; L115-K117 PolarHBondContact O-N 3.02Å; L115-K117 VanDerWaalsContact O-N 3.16Å; K117-Q119 PolarHBondContact O-N 3.08Å; K117-L120 HydrophobicContact CB-CD1 4.22Å; K117-L120 HydrophobicContact CB-CG 4.05Å; K117-L120 PolarHBondContact O-N 2.81Å
118P96Very high98Very high90 Ų9045 Ų4558%0.58424%0.237SC*.G310 helixtrans-58.2-29.6-176.5-25.934.8000113.6D116 L120 Q121D116-P118 VanDerWaalsContact O-CD 3.29Å; D116-P118 WeakPolarHBondContact O-CD 3.49Å; P118-L120 PolarHBondContact O-N 2.8Å; P118-Q121 WeakPolarHBondContact O-CB 3.24Å; P118-Q121 PolarHBondContact O-N 3.21Å
119Q95.9Very high98Very high104 Ų10441.6 Ų41.649%0.48622%0.224SC..G310 helixtrans-70-12.3179.3-6173.439.200113.2E83 R87 K117E83-Q119 PolarHBondContact OE1-OE1 3.11Å; R87-Q119 HydrophobicContact CG-CB 4.13Å; K117-Q119 PolarHBondContact O-N 3.08Å
120L97.9Very high98Very high0 Ų038.4 Ų38.40%021%0.207CC..G310 helixtrans-104.93178.2-52.6-171000112.4C86 R87 I92 L114 K117 P118 G122 I123 R155C86-L120 VanDerWaalsContact C-CD2 3.49Å; C86-L120 HydrophobicContact CB-CD1 3.67Å; C86-L120 HydrophobicContact CB-CD2 3.57Å; C86-L120 HydrophobicContact CB-CG 4.29Å; R87-L120 HydrophobicContact CG-CD2 3.91Å; I92-L120 HydrophobicContact CD1-CD1 4.15Å; L114-L120 HydrophobicContact CD1-CD1 3.59Å; L114-L120 HydrophobicContact CG-CD1 3.91Å; L114-L120 WeakPolarHBondContact O-CD1 3.46Å; K117-L120 HydrophobicContact CB-CD1 4.22Å; K117-L120 HydrophobicContact CB-CG 4.05Å; K117-L120 PolarHBondContact O-N 2.81Å; P118-L120 PolarHBondContact O-N 2.8Å; L120-G122 PolarHBondContact O-N 3.11Å; L120-I123 HydrophobicContact CB-CD1 4.37Å; L120-I123 HydrophobicContact CD2-CD1 4.15Å; L120-I123 WeakPolarHBondContact O-CB 3.41Å; L120-I123 WeakPolarHBondContact O-CG1 3.46Å; L120-I123 PolarHBondContact O-N 3.4Å; L120-R155 PolarHBondContact O-NH1 3.27Å; L120-R155 PolarHBondContact O-NH2 3.48Å
121Q96.4Very high98Very high137 Ų13738.5 Ų38.564%0.6421%0.207SC*.THydrogen-bonded Turntrans-54136.4-177.6-172.1178.1400111.5P118 I123P118-Q121 WeakPolarHBondContact O-CB 3.24Å; P118-Q121 PolarHBondContact O-N 3.21Å; Q121-I123 PolarHBondContact O-N 3.03Å; Q121-I123 VanDerWaalsContact O-N 3.12Å
122G96.2Very high97.9Very high42 Ų4243.5 Ų43.543%0.43323%0.225SC..THydrogen-bonded Turntrans73.7-8.5177.400000115.9L120 P124 D154L120-G122 PolarHBondContact O-N 3.11Å; G122-P124 WeakPolarHBondContact O-CD 3.2Å; G122-D154 WeakPolarHBondContact CA-O 3.5Å
123I97.6Very high97.9Very high18 Ų1844.2 Ų44.29%0.09223%0.231CC..  trans-68.1122.8176-58.3180000108.9C86 V89 I92 L120 Q121 R155C86-I123 VanDerWaalsContact O-CD1 3.23Å; C86-I123 WeakPolarHBondContact O-CD1 3.37Å; V89-I123 HydrophobicContact CG2-CG2 3.87Å; I92-I123 HydrophobicContact CD1-CB 4.39Å; I92-I123 HydrophobicContact CD1-CG2 4.1Å; I92-I123 HydrophobicContact CG1-CG2 3.88Å; L120-I123 HydrophobicContact CB-CD1 4.37Å; L120-I123 HydrophobicContact CD2-CD1 4.15Å; L120-I123 WeakPolarHBondContact O-CB 3.41Å; L120-I123 WeakPolarHBondContact O-CG1 3.46Å; L120-I123 PolarHBondContact O-N 3.4Å; Q121-I123 PolarHBondContact O-N 3.03Å; Q121-I123 VanDerWaalsContact O-N 3.12Å; I123-R155 WeakPolarHBondContact O-CD 3.28Å; I123-R155 PolarHBondContact O-NH1 3.04Å
124P98.5Very high97.9Very high24 Ų2443.5 Ų43.516%0.15623%0.227CC..  trans-56.7143.7177.9-26.535.2000112.9N90 A91 I92 G122 E156 W176N90-P124 WeakPolarHBondContact O-CD 3.32Å; A91-P124 CarbonylContact C-O 3.54Å; A91-P124 WeakPolarHBondContact CA-O 3.31Å; A91-P124 HydrophobicContact CB-CB 4.31Å; I92-P124 PolarHBondContact N-O 2.93Å; G122-P124 WeakPolarHBondContact O-CD 3.2Å; P124-E156 WeakPolarHBondContact CA-O 3.42Å; P124-E156 HydrophobicContact CB-CB 4.35Å; P124-W176 HydrophobicContact CB-CH2 3.9Å; P124-W176 HydrophobicContact CB-CZ2 4.42Å
125V98.8Very high97.7Very high0 Ų048 Ų480%026%0.256CS..EExtended strand (participates in β ladder)trans-121.6124.8-179.1179.70000110.6I92 L111 L115 V127 E156 I157 C158I92-V125 HydrophobicContact CB-CG2 4.36Å; I92-V125 CarbonylContact O-C 3.56Å; I92-V125 WeakPolarHBondContact O-CA 3.37Å; L111-V125 HydrophobicContact CD1-CG1 4.48Å; L115-V125 HydrophobicContact CD1-CG2 4.08Å; L115-V125 HydrophobicContact CD2-CG2 3.61Å; V125-V127 HydrophobicContact CG1-CG2 4.03Å; V125-E156 PolarHBondContact N-O 2.94Å; V125-I157 HydrophobicContact CB-CD1 4.32Å; V125-I157 HydrophobicContact CB-CG1 4.18Å; V125-I157 HydrophobicContact CG1-CD1 4.25Å; V125-I157 HydrophobicContact CG1-CG1 4.36Å; V125-I157 VanDerWaalsContact O-CA 3.31Å; V125-I157 WeakPolarHBondContact O-CA 3.29Å; V125-C158 PolarHBondContact O-N 2.83Å
126L98.9Very high97.4Very high0 Ų053 Ų530%028%0.283CS..EExtended strand (participates in β ladder)trans-105.1112.4168.3-176.762000109.8I92 V93 Y94 L128 C158 Y160 T173 W176 L177I92-L126 PolarHBondContact O-N 2.83Å; V93-L126 CarbonylContact C-O 3.43Å; V93-L126 WeakPolarHBondContact CA-O 2.84Å; V93-L126 HydrophobicContact CG2-CB 4.49Å; Y94-L126 PolarHBondContact N-O 2.72Å; L126-L128 HydrophobicContact CD1-CD2 4.23Å; L126-L128 HydrophobicContact CD2-CD1 4.48Å; L126-L128 HydrophobicContact CD2-CD2 3.95Å; L126-L128 HydrophobicContact CD2-CG 4.34Å; L126-L128 HydrophobicContact CG-CD2 3.82Å; L126-L128 HydrophobicContact CG-CG 4.14Å; L126-C158 HydrophobicContact CD1-CB 3.86Å; L126-Y160 HydrophobicContact CD1-CD2 3.91Å; L126-Y160 HydrophobicContact CD1-CE2 4.1Å; L126-T173 HydrophobicContact CD2-CG2 3.9Å; L126-W176 HydrophobicContact CB-CE3 3.92Å; L126-W176 HydrophobicContact CB-CH2 3.97Å; L126-W176 HydrophobicContact CB-CZ3 3.59Å; L126-W176 HydrophobicContact CD1-CD2 4.08Å; L126-W176 HydrophobicContact CD1-CE3 4.14Å; L126-W176 HydrophobicContact CD1-CG 4.46Å; L126-W176 HydrophobicContact CD2-CD2 4.38Å; L126-W176 HydrophobicContact CD2-CE3 3.74Å; L126-W176 HydrophobicContact CD2-CZ3 4.22Å; L126-W176 HydrophobicContact CG-CE3 4.15Å; L126-W176 HydrophobicContact CG-CZ3 4.34Å; L126-L177 HydrophobicContact CD2-CD2 3.89Å; L126-L177 HydrophobicContact CD2-CG 4.04Å
127V98.9Very high97.5Very high0 Ų048.5 Ų48.50%026%0.262CS..EExtended strand (participates in β ladder)trans-88.7124.7173.8-178.50000109.1Y94 I96 L111 V125 L149 I157 C158 C159 Y160Y94-V127 WeakPolarHBondContact O-CA 3.31Å; I96-V127 HydrophobicContact CD1-CG1 3.36Å; I96-V127 HydrophobicContact CG1-CG1 4.24Å; L111-V127 HydrophobicContact CD2-CG2 4.32Å; V125-V127 HydrophobicContact CG1-CG2 4.03Å; V127-L149 HydrophobicContact CB-CD1 4.14Å; V127-L149 HydrophobicContact CG1-CD1 4.32Å; V127-L149 HydrophobicContact CG2-CD1 3.93Å; V127-L149 HydrophobicContact CG2-CD2 4.04Å; V127-I157 HydrophobicContact CG2-CD1 4.17Å; V127-I157 HydrophobicContact CG2-CG1 4.34Å; V127-C158 PolarHBondContact N-O 3.44Å; V127-C159 HydrophobicContact CB-CB 4.3Å; V127-C159 VanDerWaalsContact O-CA 3.29Å; V127-C159 WeakPolarHBondContact O-CA 3.24Å; V127-Y160 PolarHBondContact O-N 2.68Å
128L98.9Very high97.5Very high0 Ų044.8 Ų44.80%025%0.246CC..EExtended strand (participates in β ladder)trans-115.7112.9178.2-61.9179.9000109.8F36 V93 Y94 M95 I96 L126 N130 Y160 I162 T173F36-L128 HydrophobicContact CD2-CD1 4.43Å; F36-L128 HydrophobicContact CE1-CD1 4.41Å; F36-L128 HydrophobicContact CE2-CD1 4.04Å; F36-L128 HydrophobicContact CZ-CD1 4.03Å; V93-L128 HydrophobicContact CG1-CD1 3.46Å; V93-L128 VanDerWaalsContact CG1-CD1 3.46Å; V93-L128 HydrophobicContact CG1-CG 3.96Å; Y94-L128 PolarHBondContact O-N 3.45Å; M95-L128 HydrophobicContact CE-CB 4.09Å; M95-L128 HydrophobicContact CE-CD1 3.84Å; M95-L128 HydrophobicContact SD-CB 3.75Å; I96-L128 PolarHBondContact N-O 2.95Å; L126-L128 HydrophobicContact CD1-CD2 4.23Å; L126-L128 HydrophobicContact CD2-CD1 4.48Å; L126-L128 HydrophobicContact CD2-CD2 3.95Å; L126-L128 HydrophobicContact CD2-CG 4.34Å; L126-L128 HydrophobicContact CG-CD2 3.82Å; L126-L128 HydrophobicContact CG-CG 4.14Å; L128-N130 PolarHBondContact O-N 2.82Å; L128-Y160 WeakPolarHBondContact CA-O 3.36Å; L128-Y160 HydrophobicContact CD2-CD2 4.43Å; L128-I162 HydrophobicContact CB-CD1 4.14Å; L128-I162 HydrophobicContact CB-CG1 4.48Å; L128-I162 HydrophobicContact CD1-CD1 4.06Å; L128-I162 HydrophobicContact CD2-CG2 4.14Å; L128-I162 HydrophobicContact CG-CD1 4.5Å; L128-T173 HydrophobicContact CD1-CG2 3.89Å; L128-T173 HydrophobicContact CD2-CG2 3.93Å
129G98.8Very high97.6Very high0 Ų043.7 Ų43.70%024%0.235CC..EExtended strand (participates in β ladder)trans-82.997.2167.200000110.1Y160 S161 I162G129-Y160 PolarHBondContact N-O 2.83Å; G129-S161 CarbonylContact O-C 3.54Å; G129-S161 WeakPolarHBondContact O-CA 3.21Å; G129-I162 PolarHBondContact O-N 3.5Å
130N98.7Very high97.7Very high6 Ų641 Ų413%0.03222%0.223CC..EExtended strand (participates in β ladder)trans-88.7164.5-177.7-179.744.9000112.4S31 M95 I96 A98 L128 I162 C164S31-N130 PolarHBondContact O-ND2 3.3Å; M95-N130 HydrophobicContact CG-CB 4.45Å; M95-N130 HydrophobicContact SD-CB 3.41Å; M95-N130 WeakPolarHBondContact SD-CB 3.35Å; I96-N130 PolarHBondContact O-N 3.14Å; A98-N130 VanDerWaalsContact CB-O 3.26Å; A98-N130 WeakPolarHBondContact CB-O 3.43Å; A98-N130 PolarHBondContact N-O 3.09Å; L128-N130 PolarHBondContact O-N 2.82Å; N130-I162 CarbonylContact C-O 3.53Å; N130-I162 WeakPolarHBondContact CA-O 3.11Å; N130-I162 HydrophobicContact CB-CD1 4.31Å; N130-I162 HydrophobicContact CB-CG1 3.96Å; N130-C164 PolarHBondContact OD1-N 3.39Å; N130-C164 PolarHBondContact OD1-SG 3.43Å
131K98Very high97.8Very high49 Ų4948.7 Ų48.721%0.21326%0.256CS..  trans69.735.7-177.3-43.8-173-168.2171.10113.3Y30 D97 D133 L134 A137 I162Y30-K131 VanDerWaalsContact O-CE 3.32Å; Y30-K131 WeakPolarHBondContact O-CE 3.42Å; Y30-K131 PolarHBondContact O-NZ 2.71Å; D97-K131 VanDerWaalsContact OD2-CE 3.27Å; D97-K131 WeakPolarHBondContact OD2-CE 3.33Å; D97-K131 IonicContact OD2-NZ 2.94Å; D97-K131 PolarHBondContact OD2-NZ 3.26Å; K131-D133 WeakPolarHBondContact CA-OD1 3.36Å; K131-D133 PolarHBondContact O-N 3.44Å; K131-L134 HydrophobicContact CB-CD1 3.8Å; K131-L134 HydrophobicContact CB-CG 4.06Å; K131-L134 HydrophobicContact CD-CD1 3.83Å; K131-L134 HydrophobicContact CG-CD1 4.41Å; K131-L134 WeakPolarHBondContact O-CB 3.21Å; K131-L134 PolarHBondContact O-N 2.97Å; K131-A137 WeakPolarHBondContact O-CB 3.26Å; K131-I162 PolarHBondContact N-O 3.35Å; K131-I162 VanDerWaalsContact N-O 3.15Å
132R98Very high97.9Very high105 Ų10545.3 Ų45.340%0.39624%0.24SC..THydrogen-bonded Turntrans-55.1-27.2172.7-178.2-179.6-178.3137.45.9113.3L134 E140 S161 I162R132-L134 PolarHBondContact O-N 2.83Å; R132-E140 IonicContact NH1-OE1 2.67Å; R132-E140 PolarHBondContact NH1-OE1 3.37Å; R132-E140 VanDerWaalsContact NH1-OE1 3.13Å; R132-E140 IonicContact NH1-OE2 2.64Å; R132-E140 PolarHBondContact NH1-OE2 3.4Å; R132-S161 WeakPolarHBondContact CD-OG 3.3Å; R132-I162 VanDerWaalsContact CB-O 3.3Å; R132-I162 WeakPolarHBondContact CB-O 3.5Å; R132-I162 PolarHBondContact N-O 3.46Å
133D97.6Very high98Very high53 Ų5343.3 Ų43.328%0.28322%0.219SC..THydrogen-bonded Turntrans-65.5-19.1176.656.8-74000113.7K131 S163 E166K131-D133 WeakPolarHBondContact CA-OD1 3.36Å; K131-D133 PolarHBondContact O-N 3.44Å; D133-S163 VanDerWaalsContact CG-OG 3.3Å; D133-S163 WeakPolarHBondContact OD1-CB 3.26Å; D133-S163 PolarHBondContact OD1-OG 3.26Å; D133-E166 HydrophobicContact CB-CG 3.74Å
134L97.8Very high98Very high72 Ų7245.9 Ų45.938%0.37723%0.232SC..SBendtrans-84148.9-179.3-63.6-176.4000112.3A99 K131 R132 A137A99-L134 HydrophobicContact CB-CB 3.77Å; A99-L134 HydrophobicContact CB-CD1 3.91Å; A99-L134 HydrophobicContact CB-CG 4.46Å; K131-L134 HydrophobicContact CB-CD1 3.8Å; K131-L134 HydrophobicContact CB-CG 4.06Å; K131-L134 HydrophobicContact CD-CD1 3.83Å; K131-L134 HydrophobicContact CG-CD1 4.41Å; K131-L134 WeakPolarHBondContact O-CB 3.21Å; K131-L134 PolarHBondContact O-N 2.97Å; R132-L134 PolarHBondContact O-N 2.83Å; L134-A137 WeakPolarHBondContact O-CB 3.14Å; L134-A137 PolarHBondContact O-N 3.39Å
135P94.9Very high98.1Very high102 Ų10251.5 Ų51.566%0.66226%0.257SS*.THydrogen-bonded Turntrans-60.5145174.127-34.9000110.7A137P135-A137 PolarHBondContact O-N 2.89Å
136N92.9Very high98.1Very high116 Ų11656.2 Ų56.262%0.6228%0.277SS*.THydrogen-bonded Turntrans67.37.6-178.9-50.3-56.6000116R101 L138R101-N136 PolarHBondContact NE-O 3.23Å; R101-N136 PolarHBondContact NH2-O 2.88Å; N136-L138 PolarHBondContact O-N 2.99Å
137A98.3Very high98Very high22 Ų2256.2 Ų56.218%0.18228%0.277CS..  trans-54.5134.6171.600000111.1A98 A99 K131 L134 P135A98-A137 HydrophobicContact CB-CB 4.19Å; A98-A137 CarbonylContact O-C 3.55Å; A98-A137 WeakPolarHBondContact O-CA 3.34Å; A99-A137 HydrophobicContact CB-CB 4.4Å; K131-A137 WeakPolarHBondContact O-CB 3.26Å; L134-A137 WeakPolarHBondContact O-CB 3.14Å; L134-A137 PolarHBondContact O-N 3.39Å; P135-A137 PolarHBondContact O-N 2.89Å
138L98.6Very high98Very high1 Ų159.7 Ų59.71%0.00530%0.296CS..  trans-71.6135.2175.5-60.9174.3000110.3A98 R101 I104 N136 Q142 L143 K146A98-L138 HydrophobicContact CB-CB 4.48Å; A98-L138 PolarHBondContact O-N 2.98Å; R101-L138 HydrophobicContact CG-CD2 4.48Å; I104-L138 HydrophobicContact CD1-CD1 3.69Å; I104-L138 HydrophobicContact CG1-CD1 3.8Å; N136-L138 PolarHBondContact O-N 2.99Å; L138-Q142 HydrophobicContact CB-CB 4.07Å; L138-Q142 HydrophobicContact CD2-CB 3.98Å; L138-L143 HydrophobicContact CB-CD2 3.99Å; L138-L143 HydrophobicContact CB-CG 3.85Å; L138-L143 HydrophobicContact CD1-CD2 3.98Å; L138-K146 HydrophobicContact CD1-CD 3.76Å; L138-K146 HydrophobicContact CD2-CD 4.19Å
139D98.1Very high98Very high66 Ų6660 Ų6035%0.35330%0.297SS..  trans-76.4174.4169.669.624.9000111.8K141 Q142 L143D139-K141 VanDerWaalsContact C-N 3.27Å; D139-K141 PolarHBondContact O-N 2.74Å; D139-K141 WeakPolarHBondContact OD1-CB 3.11Å; D139-K141 PolarHBondContact OD1-N 2.84Å; D139-Q142 VanDerWaalsContact N-OE1 3.17Å; D139-Q142 PolarHBondContact O-N 3.06Å; D139-Q142 WeakPolarHBondContact OD1-CB 3.12Å; D139-Q142 VanDerWaalsContact OD1-CG 3.3Å; D139-Q142 WeakPolarHBondContact OD1-CG 3.48Å; D139-Q142 PolarHBondContact OD1-N 3.35Å; D139-L143 WeakPolarHBondContact O-CB 3.37Å; D139-L143 VanDerWaalsContact O-CG 3.3Å; D139-L143 WeakPolarHBondContact O-CG 3.49Å; D139-L143 PolarHBondContact O-N 3.41Å
140E98.4Very high98Very high49 Ų4964.1 Ų64.123%0.22933%0.326CS..Hα-helixtrans-56.7-40.4-180-67.884.8170.800112.5R132 L143 I144 S161R132-E140 IonicContact NH1-OE1 2.67Å; R132-E140 PolarHBondContact NH1-OE1 3.37Å; R132-E140 VanDerWaalsContact NH1-OE1 3.13Å; R132-E140 IonicContact NH1-OE2 2.64Å; R132-E140 PolarHBondContact NH1-OE2 3.4Å; E140-L143 PolarHBondContact O-N 3.04Å; E140-I144 WeakPolarHBondContact O-CB 3.45Å; E140-I144 WeakPolarHBondContact O-CD1 3.33Å; E140-I144 WeakPolarHBondContact O-CG1 3.3Å; E140-I144 PolarHBondContact O-N 3.4Å; E140-S161 WeakPolarHBondContact OE1-CA 3.48Å; E140-S161 WeakPolarHBondContact OE1-CB 3.35Å; E140-S161 PolarHBondContact OE1-N 3.48Å
141K98.5Very high97.9Very high161 Ų16166.4 Ų66.470%0.735%0.346SS*.Hα-helixtrans-66.2-46.4-178.2-177.9-177.6176.3-175.90110.7D139 L143 I144 E145D139-K141 VanDerWaalsContact C-N 3.27Å; D139-K141 PolarHBondContact O-N 2.74Å; D139-K141 WeakPolarHBondContact OD1-CB 3.11Å; D139-K141 PolarHBondContact OD1-N 2.84Å; K141-L143 VanDerWaalsContact C-N 3.33Å; K141-I144 PolarHBondContact O-N 2.89Å; K141-E145 PolarHBondContact O-N 3.35Å; K141-E145 VanDerWaalsContact O-N 3.08Å
142Q98.7Very high97.9Very high65 Ų6564.9 Ų64.930%0.30434%0.34SS..Hα-helixtrans-65.4-37.2177.5-68.5175.9-42.700111.9L138 D139 K146L138-Q142 HydrophobicContact CB-CB 4.07Å; L138-Q142 HydrophobicContact CD2-CB 3.98Å; D139-Q142 VanDerWaalsContact N-OE1 3.17Å; D139-Q142 PolarHBondContact O-N 3.06Å; D139-Q142 WeakPolarHBondContact OD1-CB 3.12Å; D139-Q142 VanDerWaalsContact OD1-CG 3.3Å; D139-Q142 WeakPolarHBondContact OD1-CG 3.48Å; D139-Q142 PolarHBondContact OD1-N 3.35Å; Q142-K146 VanDerWaalsContact O-CB 3.26Å; Q142-K146 WeakPolarHBondContact O-CB 3.38Å; Q142-K146 WeakPolarHBondContact O-CG 3.48Å; Q142-K146 PolarHBondContact O-N 3.38Å
143L98.8Very high97.9Very high0 Ų068.2 Ų68.20%036%0.36CS..Hα-helixtrans-65.8-47.2174.5-73.4165.9000111.4I96 A98 I104 L138 D139 E140 K141 E145 K146 M147I96-L143 HydrophobicContact CD1-CD2 4.18Å; I96-L143 HydrophobicContact CG2-CD2 4.17Å; A98-L143 HydrophobicContact CB-CD1 4.49Å; I104-L143 HydrophobicContact CD1-CD2 4.43Å; L138-L143 HydrophobicContact CB-CD2 3.99Å; L138-L143 HydrophobicContact CB-CG 3.85Å; L138-L143 HydrophobicContact CD1-CD2 3.98Å; D139-L143 WeakPolarHBondContact O-CB 3.37Å; D139-L143 VanDerWaalsContact O-CG 3.3Å; D139-L143 WeakPolarHBondContact O-CG 3.49Å; D139-L143 PolarHBondContact O-N 3.41Å; E140-L143 PolarHBondContact O-N 3.04Å; K141-L143 VanDerWaalsContact C-N 3.33Å; L143-E145 VanDerWaalsContact C-N 3.28Å; L143-E145 PolarHBondContact O-N 3.23Å; L143-K146 PolarHBondContact O-N 3.08Å; L143-M147 WeakPolarHBondContact O-CB 3.08Å; L143-M147 WeakPolarHBondContact O-CG 3.47Å; L143-M147 PolarHBondContact O-N 3.35Å
144I98.7Very high97.8Very high72 Ų7269.1 Ų69.137%0.36937%0.365SS..Hα-helixtrans-54.9-46.5177-74160.1000110.9E140 K141 N148 L149 C159E140-I144 WeakPolarHBondContact O-CB 3.45Å; E140-I144 WeakPolarHBondContact O-CD1 3.33Å; E140-I144 WeakPolarHBondContact O-CG1 3.3Å; E140-I144 PolarHBondContact O-N 3.4Å; K141-I144 PolarHBondContact O-N 2.89Å; I144-N148 PolarHBondContact O-N 2.97Å; I144-L149 HydrophobicContact CG1-CD1 4.04Å; I144-L149 HydrophobicContact CG2-CB 4.48Å; I144-L149 PolarHBondContact O-N 3.45Å; I144-C159 HydrophobicContact CD1-CB 4.29Å; I144-C159 HydrophobicContact CG1-CB 3.91Å
145E98.7Very high97.8Very high142 Ų14266.9 Ų66.966%0.66435%0.351SS*.Hα-helixtrans-66.9-55.5178.7-175.8-178.5-17900111.8K141 L143 M147 N148K141-E145 PolarHBondContact O-N 3.35Å; K141-E145 VanDerWaalsContact O-N 3.08Å; L143-E145 VanDerWaalsContact C-N 3.28Å; L143-E145 PolarHBondContact O-N 3.23Å; E145-M147 VanDerWaalsContact C-N 3.35Å; E145-M147 PolarHBondContact O-N 3.32Å; E145-N148 PolarHBondContact O-N 3.01Å
146K98.7Very high97.9Very high100 Ų10066.7 Ų66.744%0.43534%0.342SS..Hα-helixtrans-68.7-32.6-173.8-73-177.6173.8-65.90113.4I104 R108 L138 Q142 L143I104-K146 HydrophobicContact CG2-CB 3.75Å; I104-K146 HydrophobicContact CG2-CD 4.26Å; R108-K146 WeakPolarHBondContact CD-O 3.37Å; L138-K146 HydrophobicContact CD1-CD 3.76Å; L138-K146 HydrophobicContact CD2-CD 4.19Å; Q142-K146 VanDerWaalsContact O-CB 3.26Å; Q142-K146 WeakPolarHBondContact O-CB 3.38Å; Q142-K146 WeakPolarHBondContact O-CG 3.48Å; Q142-K146 PolarHBondContact O-N 3.38Å; L143-K146 PolarHBondContact O-N 3.08Å
147M98.7Very high98.2Very high0 Ų063.4 Ų63.40%032%0.324CS..THydrogen-bonded Turntrans-83.1-3.2175.1-60.6-63.9-62.600112.4Y94 I96 I104 R108 L111 H112 L143 E145 L149Y94-M147 HydrophobicContact CE1-CE 4.01Å; I96-M147 HydrophobicContact CD1-CE 3.57Å; I96-M147 HydrophobicContact CD1-CG 3.62Å; I96-M147 HydrophobicContact CD1-SD 3.67Å; I96-M147 HydrophobicContact CG1-CE 4.2Å; I104-M147 HydrophobicContact CG2-SD 4.06Å; R108-M147 VanDerWaalsContact CA-CE 3.45Å; R108-M147 HydrophobicContact CB-CE 4.11Å; R108-M147 HydrophobicContact CB-SD 4.04Å; L111-M147 HydrophobicContact CB-CE 4.22Å; L111-M147 HydrophobicContact CD2-CE 3.87Å; H112-M147 PolarHBondContact NE2-O 3.31Å; L143-M147 WeakPolarHBondContact O-CB 3.08Å; L143-M147 WeakPolarHBondContact O-CG 3.47Å; L143-M147 PolarHBondContact O-N 3.35Å; E145-M147 VanDerWaalsContact C-N 3.35Å; E145-M147 PolarHBondContact O-N 3.32Å; M147-L149 VanDerWaalsContact C-N 3.3Å; M147-L149 HydrophobicContact CB-CD2 3.52Å; M147-L149 HydrophobicContact CB-CG 3.86Å; M147-L149 PolarHBondContact O-N 2.79Å
148N98.6Very high98.2Very high72 Ų7263.7 Ų63.739%0.38532%0.324SS..THydrogen-bonded Turntrans52.346.7-178.8-168.932.5000112.3H112 I144 E145 S150 A151H112-N148 PolarHBondContact CE1-O 2.96Å; H112-N148 PolarHBondContact NE2-O 3.19Å; I144-N148 PolarHBondContact O-N 2.97Å; E145-N148 PolarHBondContact O-N 3.01Å; N148-S150 PolarHBondContact O-N 3.24Å; N148-A151 VanDerWaalsContact ND2-CB 3.32Å; N148-A151 WeakPolarHBondContact ND2-CB 3.43Å; N148-A151 PolarHBondContact O-N 3.28Å
149L98.7Very high98.2Very high7 Ų764.3 Ų64.34%0.03733%0.328CS..G310 helixtrans-69.4-24.9-174.5-57.6-171.8000112.3L111 V127 I144 M147 A151 I152 I157 C159L111-L149 HydrophobicContact CD2-CD2 3.68Å; V127-L149 HydrophobicContact CB-CD1 4.14Å; V127-L149 HydrophobicContact CG1-CD1 4.32Å; V127-L149 HydrophobicContact CG2-CD1 3.93Å; V127-L149 HydrophobicContact CG2-CD2 4.04Å; I144-L149 HydrophobicContact CG1-CD1 4.04Å; I144-L149 HydrophobicContact CG2-CB 4.48Å; I144-L149 PolarHBondContact O-N 3.45Å; M147-L149 VanDerWaalsContact C-N 3.3Å; M147-L149 HydrophobicContact CB-CD2 3.52Å; M147-L149 HydrophobicContact CB-CG 3.86Å; M147-L149 PolarHBondContact O-N 2.79Å; L149-A151 PolarHBondContact O-N 2.92Å; L149-I152 HydrophobicContact CD2-CD1 4.22Å; L149-I152 WeakPolarHBondContact O-CB 3.31Å; L149-I152 PolarHBondContact O-N 3.39Å; L149-I152 VanDerWaalsContact O-N 3.11Å; L149-I157 HydrophobicContact CB-CD1 4.17Å; L149-I157 HydrophobicContact CD1-CD1 4.43Å; L149-I157 HydrophobicContact CD2-CD1 3.92Å; L149-I157 HydrophobicContact CG-CD1 4.39Å; L149-C159 HydrophobicContact CD1-CB 3.85Å
150S97.5Very high98.2Very high86 Ų8663.8 Ų63.860%0.60132%0.322SS*.G310 helixtrans-66-18.8176.552.30000114.1N148 I152N148-S150 PolarHBondContact O-N 3.24Å; S150-I152 VanDerWaalsContact C-N 3.28Å
151A98.1Very high98.2Very high54 Ų5461.5 Ų61.545%0.44631%0.311SS..G310 helixtrans-76-17.117400000112.9N148 L149 Q153N148-A151 VanDerWaalsContact ND2-CB 3.32Å; N148-A151 WeakPolarHBondContact ND2-CB 3.43Å; N148-A151 PolarHBondContact O-N 3.28Å; L149-A151 PolarHBondContact O-N 2.92Å; A151-Q153 PolarHBondContact O-N 2.8Å
152I98.2Very high98.2Very high17 Ų1753.9 Ų53.99%0.08728%0.278CS..  trans-86.9106.6178.7-60.8159.7000107.9L111 L115 L149 S150 R155 I157L111-I152 HydrophobicContact CD2-CD1 4.43Å; L115-I152 HydrophobicContact CD1-CD1 3.5Å; L115-I152 HydrophobicContact CD1-CG1 4.12Å; L115-I152 HydrophobicContact CD1-CG2 4.24Å; L149-I152 HydrophobicContact CD2-CD1 4.22Å; L149-I152 WeakPolarHBondContact O-CB 3.31Å; L149-I152 PolarHBondContact O-N 3.39Å; L149-I152 VanDerWaalsContact O-N 3.11Å; S150-I152 VanDerWaalsContact C-N 3.28Å; I152-R155 HydrophobicContact CG2-CG 3.62Å; I152-I157 HydrophobicContact CB-CD1 4.26Å; I152-I157 HydrophobicContact CD1-CD1 3.48Å; I152-I157 VanDerWaalsContact CD1-CD1 3.48Å; I152-I157 HydrophobicContact CG1-CD1 4.48Å; I152-I157 HydrophobicContact CG2-CD1 4.28Å
153Q96.4Very high98.2Very high175 Ų17550.8 Ų50.882%0.81826%0.263SS*.  trans-120.1-6.5-172.8-61.9-175-6.500113.9A151A151-Q153 PolarHBondContact O-N 2.8Å
154D95.9Very high98.2Very high73 Ų7350.8 Ų50.839%0.3926%0.264SS..SBendtrans-92.15.9-173.272.9-37000113.9G122G122-D154 WeakPolarHBondContact CA-O 3.5Å
155R97.4Very high98.1Very high24 Ų2451.5 Ų51.59%0.09126%0.264CS..SBendtrans-160.1163.5-174.564.5-164.268.9-141.15.5111.6L115 L120 I123 I152L115-R155 PolarHBondContact O-NH2 3.16Å; L115-R155 VanDerWaalsContact O-NH2 3.15Å; L120-R155 PolarHBondContact O-NH1 3.27Å; L120-R155 PolarHBondContact O-NH2 3.48Å; I123-R155 WeakPolarHBondContact O-CD 3.28Å; I123-R155 PolarHBondContact O-NH1 3.04Å; I152-R155 HydrophobicContact CG2-CG 3.62Å
156E97.8Very high98Very high98 Ų9849.9 Ų49.946%0.45826%0.256SS..  trans-66.9132.6164.1-178.2176.5159.200110P124 V125 W176 H180P124-E156 WeakPolarHBondContact CA-O 3.42Å; P124-E156 HydrophobicContact CB-CB 4.35Å; V125-E156 PolarHBondContact N-O 2.94Å; E156-W176 HydrophobicContact CG-CZ2 4.36Å; E156-W176 WeakPolarHBondContact OE1-CZ2 3.36Å; E156-W176 PolarHBondContact OE1-NE1 2.67Å; E156-W176 VanDerWaalsContact OE1-NE1 3.13Å; E156-H180 IonicContact OE1-CE1 3.22Å; E156-H180 PolarHBondContact OE1-CE1 3.36Å; E156-H180 IonicContact OE1-NE2 3.72Å; E156-H180 IonicContact OE2-CE1 3.34Å; E156-H180 IonicContact OE2-NE2 3.52Å; E156-H180 PolarHBondContact OE2-NE2 2.87Å
157I98.4Very high97.9Very high48 Ų4850.3 Ų50.325%0.24626%0.259CS..EExtended strand (participates in β ladder)trans-133.3130.9172.9-169.3160.4000110.7V125 V127 L149 I152V125-I157 HydrophobicContact CB-CD1 4.32Å; V125-I157 HydrophobicContact CB-CG1 4.18Å; V125-I157 HydrophobicContact CG1-CD1 4.25Å; V125-I157 HydrophobicContact CG1-CG1 4.36Å; V125-I157 VanDerWaalsContact O-CA 3.31Å; V125-I157 WeakPolarHBondContact O-CA 3.29Å; V127-I157 HydrophobicContact CG2-CD1 4.17Å; V127-I157 HydrophobicContact CG2-CG1 4.34Å; L149-I157 HydrophobicContact CB-CD1 4.17Å; L149-I157 HydrophobicContact CD1-CD1 4.43Å; L149-I157 HydrophobicContact CD2-CD1 3.92Å; L149-I157 HydrophobicContact CG-CD1 4.39Å; I152-I157 HydrophobicContact CB-CD1 4.26Å; I152-I157 HydrophobicContact CD1-CD1 3.48Å; I152-I157 VanDerWaalsContact CD1-CD1 3.48Å; I152-I157 HydrophobicContact CG1-CD1 4.48Å; I152-I157 HydrophobicContact CG2-CD1 4.28Å
158C98.4Very high97.8Very high27 Ų2753.7 Ų53.718%0.18228%0.276CS..EExtended strand (participates in β ladder)trans-126.3151.6176.2-165.90000110.1V125 L126 V127 Y160 W176V125-C158 PolarHBondContact O-N 2.83Å; L126-C158 HydrophobicContact CD1-CB 3.86Å; V127-C158 PolarHBondContact N-O 3.44Å; C158-Y160 VanDerWaalsContact SG-CZ 3.58Å; C158-W176 HydrophobicContact CB-CZ2 4.06Å
159C98.8Very high97.8Very high15 Ų1552.4 Ų52.410%0.10127%0.27CS..EExtended strand (participates in β ladder)trans-135125-179.7-175.90000110.7V127 I144 L149V127-C159 HydrophobicContact CB-CB 4.3Å; V127-C159 VanDerWaalsContact O-CA 3.29Å; V127-C159 WeakPolarHBondContact O-CA 3.24Å; I144-C159 HydrophobicContact CD1-CB 4.29Å; I144-C159 HydrophobicContact CG1-CB 3.91Å; L149-C159 HydrophobicContact CD1-CB 3.85Å
160Y98.7Very high97.8Very high55 Ų5552.9 Ų52.922%0.21627%0.272CS..EExtended strand (participates in β ladder)trans-125.4141.8173.4-62.1-37.5000111.2L126 V127 L128 G129 C158 I172 W176L126-Y160 HydrophobicContact CD1-CD2 3.91Å; L126-Y160 HydrophobicContact CD1-CE2 4.1Å; V127-Y160 PolarHBondContact O-N 2.68Å; L128-Y160 WeakPolarHBondContact CA-O 3.36Å; L128-Y160 HydrophobicContact CD2-CD2 4.43Å; G129-Y160 PolarHBondContact N-O 2.83Å; C158-Y160 VanDerWaalsContact SG-CZ 3.58Å; Y160-I172 HydrophobicContact CD1-CD1 4.34Å; Y160-I172 HydrophobicContact CD2-CG1 4.46Å; Y160-I172 HydrophobicContact CE1-CD1 4.48Å; Y160-I172 HydrophobicContact CG-CD1 4.4Å; Y160-W176 HydrophobicContact CE2-CB 3.95Å; Y160-W176 HydrophobicContact CE2-CG 4.34Å
161S98.5Very high97.7Very high1 Ų153.4 Ų53.41%0.00727%0.268CS..EExtended strand (participates in β ladder)trans-94.4125.4168.2-173.20000108.5G129 R132 E140 N169G129-S161 CarbonylContact O-C 3.54Å; G129-S161 WeakPolarHBondContact O-CA 3.21Å; R132-S161 WeakPolarHBondContact CD-OG 3.3Å; E140-S161 WeakPolarHBondContact OE1-CA 3.48Å; E140-S161 WeakPolarHBondContact OE1-CB 3.35Å; E140-S161 PolarHBondContact OE1-N 3.48Å; S161-N169 PolarHBondContact O-ND2 2.87Å
162I98.7Very high97.6Very high0 Ų053.4 Ų53.40%026%0.26CS..  trans-129.8162-171.270.4166.6000111.2F36 M95 L128 G129 N130 K131 R132 D168 N169 I170F36-I162 HydrophobicContact CD2-CD1 3.98Å; F36-I162 HydrophobicContact CE2-CD1 4.27Å; M95-I162 HydrophobicContact CE-CD1 4.24Å; M95-I162 HydrophobicContact SD-CD1 4.42Å; L128-I162 HydrophobicContact CB-CD1 4.14Å; L128-I162 HydrophobicContact CB-CG1 4.48Å; L128-I162 HydrophobicContact CD1-CD1 4.06Å; L128-I162 HydrophobicContact CD2-CG2 4.14Å; L128-I162 HydrophobicContact CG-CD1 4.5Å; G129-I162 PolarHBondContact O-N 3.5Å; N130-I162 CarbonylContact C-O 3.53Å; N130-I162 WeakPolarHBondContact CA-O 3.11Å; N130-I162 HydrophobicContact CB-CD1 4.31Å; N130-I162 HydrophobicContact CB-CG1 3.96Å; K131-I162 PolarHBondContact N-O 3.35Å; K131-I162 VanDerWaalsContact N-O 3.15Å; R132-I162 VanDerWaalsContact CB-O 3.3Å; R132-I162 WeakPolarHBondContact CB-O 3.5Å; R132-I162 PolarHBondContact N-O 3.46Å; I162-D168 WeakPolarHBondContact CB-O 3.48Å; I162-N169 HydrophobicContact CG2-CB 3.93Å; I162-I170 HydrophobicContact CB-CD1 4.48Å; I162-I170 HydrophobicContact CD1-CD1 4.07Å
163S98.5Very high97.5Very high0 Ų052.6 Ų52.60%026%0.256CS..  trans-124.2116.5160.3179.30000109.3D133 K165 E166 K167 D168D133-S163 VanDerWaalsContact CG-OG 3.3Å; D133-S163 WeakPolarHBondContact OD1-CB 3.26Å; D133-S163 PolarHBondContact OD1-OG 3.26Å; S163-K165 PolarHBondContact O-N 3.37Å; S163-K165 PolarHBondContact OG-N 2.8Å; S163-E166 PolarHBondContact OG-N 2.85Å; S163-K167 CarbonylContact O-C 3.57Å; S163-K167 WeakPolarHBondContact O-CA 3.3Å; S163-K167 PolarHBondContact O-N 3.24Å; S163-D168 PolarHBondContact N-O 3.29Å; S163-D168 PolarHBondContact O-N 2.77Å; S163-D168 VanDerWaalsContact O-N 3.16Å
164C97.9Very high97.5Very high1 Ų145.2 Ų45.21%0.00722%0.222CC..THydrogen-bonded Turntrans-67.5-26.6168.5-670000112.2T35 V39 N130T35-C164 HydrophobicContact CG2-CB 3.77Å; V39-C164 HydrophobicContact CG2-CB 4.16Å; V39-C164 WeakPolarHBondContact CG2-O 3.46Å; N130-C164 PolarHBondContact OD1-N 3.39Å; N130-C164 PolarHBondContact OD1-SG 3.43Å
165K96.8Very high97.4Very high87 Ų8747 Ų4738%0.37823%0.228SC..THydrogen-bonded Turntrans-73.3-55.7-179-179.6-177.9172.3-177.50110.7F45 S163 K167F45-K165 HydrophobicContact CD1-CG 4.17Å; F45-K165 HydrophobicContact CD2-CB 4.19Å; F45-K165 HydrophobicContact CE1-CB 4.25Å; F45-K165 HydrophobicContact CE1-CD 4.28Å; F45-K165 HydrophobicContact CE1-CG 3.78Å; F45-K165 HydrophobicContact CE2-CB 3.85Å; F45-K165 HydrophobicContact CE2-CG 4.3Å; F45-K165 HydrophobicContact CZ-CB 3.89Å; F45-K165 HydrophobicContact CZ-CD 4.27Å; F45-K165 HydrophobicContact CZ-CG 3.87Å; S163-K165 PolarHBondContact O-N 3.37Å; S163-K165 PolarHBondContact OG-N 2.8Å; K165-K167 VanDerWaalsContact C-N 3.33Å
166E97Very high97.4Very high107 Ų10746.5 Ų46.550%0.523%0.226SC..THydrogen-bonded Turntrans-86.1-7.9-178-55.7-54145.300112.8D133 S163 D168D133-E166 HydrophobicContact CB-CG 3.74Å; S163-E166 PolarHBondContact OG-N 2.85Å; E166-D168 VanDerWaalsContact C-N 3.27Å; E166-D168 PolarHBondContact O-N 2.94Å
167K96.3Very high97.2Very high110 Ų11041.9 Ų41.948%0.47820%0.204SC..  trans66.823.5-177.9-53.5172.9180174.20114.3V39 G43 S163 K165 N169 I170V39-K167 HydrophobicContact CG1-CG 4.3Å; G43-K167 WeakPolarHBondContact O-CE 3.48Å; G43-K167 PolarHBondContact O-NZ 2.72Å; S163-K167 CarbonylContact O-C 3.57Å; S163-K167 WeakPolarHBondContact O-CA 3.3Å; S163-K167 PolarHBondContact O-N 3.24Å; K165-K167 VanDerWaalsContact C-N 3.33Å; K167-N169 PolarHBondContact O-N 3.05Å; K167-I170 HydrophobicContact CB-CG1 4.27Å; K167-I170 WeakPolarHBondContact O-CG1 3.13Å
168D97.9Very high96.9Very high70 Ų7042 Ų4237%0.37421%0.205SC..THydrogen-bonded Turntrans-63132.7174.2-63.2-23.7000111.3I162 S163 E166 I170I162-D168 WeakPolarHBondContact CB-O 3.48Å; S163-D168 PolarHBondContact N-O 3.29Å; S163-D168 PolarHBondContact O-N 2.77Å; S163-D168 VanDerWaalsContact O-N 3.16Å; E166-D168 VanDerWaalsContact C-N 3.27Å; E166-D168 PolarHBondContact O-N 2.94Å; D168-I170 PolarHBondContact O-N 3.39Å
169N98.2Very high96.6Very high46 Ų4647.3 Ų47.325%0.24623%0.227CC..THydrogen-bonded Turntrans5916173.4-66.2-22.1000115.5S161 I162 K167 I172 T173S161-N169 PolarHBondContact O-ND2 2.87Å; I162-N169 HydrophobicContact CG2-CB 3.93Å; K167-N169 PolarHBondContact O-N 3.05Å; N169-I172 HydrophobicContact CB-CD1 3.72Å; N169-I172 HydrophobicContact CB-CG1 3.8Å; N169-I172 VanDerWaalsContact O-CG1 3.24Å; N169-I172 WeakPolarHBondContact O-CG1 3.33Å; N169-T173 VanDerWaalsContact O-CB 3.31Å; N169-T173 WeakPolarHBondContact O-CB 3.45Å; N169-T173 PolarHBondContact O-N 3.33Å; N169-T173 VanDerWaalsContact O-N 3.15Å; N169-T173 PolarHBondContact O-OG1 2.94Å
170I97.3Very high96.3Very high16 Ų1647.5 Ų47.58%0.08223%0.227CC..Hα-helixtrans-69.6-36177.5-60.5-60.5000111.4F36 V39 I40 I162 K167 D168 T173 L174F36-I170 HydrophobicContact CD2-CD1 4.12Å; F36-I170 HydrophobicContact CE2-CD1 4.07Å; V39-I170 HydrophobicContact CG1-CD1 4.46Å; V39-I170 HydrophobicContact CG1-CG1 4.28Å; V39-I170 HydrophobicContact CG1-CG2 4.32Å; I40-I170 HydrophobicContact CG2-CG2 4.14Å; I162-I170 HydrophobicContact CB-CD1 4.48Å; I162-I170 HydrophobicContact CD1-CD1 4.07Å; K167-I170 HydrophobicContact CB-CG1 4.27Å; K167-I170 WeakPolarHBondContact O-CG1 3.13Å; D168-I170 PolarHBondContact O-N 3.39Å; I170-T173 WeakPolarHBondContact O-CB 3.47Å; I170-T173 PolarHBondContact O-N 2.93Å; I170-L174 HydrophobicContact CG2-CD1 4.27Å; I170-L174 WeakPolarHBondContact O-CG 3.3Å; I170-L174 PolarHBondContact O-N 3.48Å
171D95.3Very high95.7Very high97 Ų9745.1 Ų45.152%0.51922%0.218SC..Hα-helixtrans-65.6-49.5177.759.7-25.6000112.4T173 L174 Q175D171-T173 VanDerWaalsContact C-N 3.27Å; D171-T173 PolarHBondContact O-N 3.31Å; D171-L174 PolarHBondContact O-N 3.13Å; D171-Q175 WeakPolarHBondContact O-CG 3.32Å; D171-Q175 PolarHBondContact O-N 2.8Å
172I96.5Very high94.4Very high54 Ų5451.5 Ų51.528%0.27725%0.246SC..Hα-helixtrans-64.4-35176.365.2171.7000111.5Y160 N169 Q175 W176Y160-I172 HydrophobicContact CD1-CD1 4.34Å; Y160-I172 HydrophobicContact CD2-CG1 4.46Å; Y160-I172 HydrophobicContact CE1-CD1 4.48Å; Y160-I172 HydrophobicContact CG-CD1 4.4Å; N169-I172 HydrophobicContact CB-CD1 3.72Å; N169-I172 HydrophobicContact CB-CG1 3.8Å; N169-I172 VanDerWaalsContact O-CG1 3.24Å; N169-I172 WeakPolarHBondContact O-CG1 3.33Å; I172-Q175 PolarHBondContact O-N 3.04Å; I172-W176 PolarHBondContact O-N 2.89Å
173T97.6Very high92.5Very high0 Ų055.1 Ų55.10%027%0.271CS..Hα-helixtrans-61.3-47.9173-65.20000110.8F36 L126 L128 N169 I170 D171 Q175 W176 L177F36-T173 HydrophobicContact CE2-CG2 3.85Å; F36-T173 HydrophobicContact CZ-CG2 3.65Å; L126-T173 HydrophobicContact CD2-CG2 3.9Å; L128-T173 HydrophobicContact CD1-CG2 3.89Å; L128-T173 HydrophobicContact CD2-CG2 3.93Å; N169-T173 VanDerWaalsContact O-CB 3.31Å; N169-T173 WeakPolarHBondContact O-CB 3.45Å; N169-T173 PolarHBondContact O-N 3.33Å; N169-T173 VanDerWaalsContact O-N 3.15Å; N169-T173 PolarHBondContact O-OG1 2.94Å; I170-T173 WeakPolarHBondContact O-CB 3.47Å; I170-T173 PolarHBondContact O-N 2.93Å; D171-T173 VanDerWaalsContact C-N 3.27Å; D171-T173 PolarHBondContact O-N 3.31Å; T173-Q175 VanDerWaalsContact C-N 3.34Å; T173-Q175 PolarHBondContact O-N 3.1Å; T173-W176 PolarHBondContact O-N 2.64Å; T173-L177 HydrophobicContact CG2-CD1 4.29Å; T173-L177 WeakPolarHBondContact O-CG 3.27Å; T173-L177 PolarHBondContact O-N 3.33Å; T173-L177 VanDerWaalsContact O-N 3.12Å
174L95.6Very high90.3Very high21 Ų2163.3 Ų63.311%0.1130%0.302CS..Hα-helixtrans-65.1-36.4176.9-74.8173.5000112.3I40 K62 I67 I170 D171 L177 I178I40-L174 HydrophobicContact CB-CD2 4.29Å; I40-L174 HydrophobicContact CG2-CD1 4.38Å; I40-L174 HydrophobicContact CG2-CD2 3.98Å; I40-L174 HydrophobicContact CG2-CG 4.34Å; K62-L174 HydrophobicContact CD-CD1 4.42Å; K62-L174 HydrophobicContact CG-CD1 4.45Å; K62-L174 HydrophobicContact CG-CD2 4.49Å; I67-L174 HydrophobicContact CD1-CD2 4.42Å; I170-L174 HydrophobicContact CG2-CD1 4.27Å; I170-L174 WeakPolarHBondContact O-CG 3.3Å; I170-L174 PolarHBondContact O-N 3.48Å; D171-L174 PolarHBondContact O-N 3.13Å; L174-L177 PolarHBondContact O-N 2.88Å; L174-I178 WeakPolarHBondContact O-CB 3.4Å; L174-I178 WeakPolarHBondContact O-CD1 3.44Å; L174-I178 WeakPolarHBondContact O-CG1 3.32Å; L174-I178 PolarHBondContact O-N 3.15Å
175Q94.3Very high87.6Confident111 Ų11174.3 Ų74.352%0.51934%0.344SS..Hα-helixtrans-62.3-47.1175.8-73173.78.400111.6D171 I172 T173 L177 I178 Q179D171-Q175 WeakPolarHBondContact O-CG 3.32Å; D171-Q175 PolarHBondContact O-N 2.8Å; I172-Q175 PolarHBondContact O-N 3.04Å; T173-Q175 VanDerWaalsContact C-N 3.34Å; T173-Q175 PolarHBondContact O-N 3.1Å; Q175-L177 VanDerWaalsContact C-N 3.32Å; Q175-L177 PolarHBondContact O-N 3.47Å; Q175-I178 PolarHBondContact O-N 3.2Å; Q175-Q179 VanDerWaalsContact O-CG 3.3Å; Q175-Q179 WeakPolarHBondContact O-CG 3.34Å; Q175-Q179 PolarHBondContact O-N 2.99Å
176W95.8Very high84.7Confident12 Ų1278.9 Ų78.95%0.04539%0.386CS..Hα-helixtrans-59.2-43.6176.2-173.393.9000111.4A91 P124 L126 E156 C158 Y160 I172 T173 Q179 H180A91-W176 HydrophobicContact CB-CH2 4.18Å; A91-W176 HydrophobicContact CB-CZ3 3.89Å; P124-W176 HydrophobicContact CB-CH2 3.9Å; P124-W176 HydrophobicContact CB-CZ2 4.42Å; L126-W176 HydrophobicContact CB-CE3 3.92Å; L126-W176 HydrophobicContact CB-CH2 3.97Å; L126-W176 HydrophobicContact CB-CZ3 3.59Å; L126-W176 HydrophobicContact CD1-CD2 4.08Å; L126-W176 HydrophobicContact CD1-CE3 4.14Å; L126-W176 HydrophobicContact CD1-CG 4.46Å; L126-W176 HydrophobicContact CD2-CD2 4.38Å; L126-W176 HydrophobicContact CD2-CE3 3.74Å; L126-W176 HydrophobicContact CD2-CZ3 4.22Å; L126-W176 HydrophobicContact CG-CE3 4.15Å; L126-W176 HydrophobicContact CG-CZ3 4.34Å; E156-W176 HydrophobicContact CG-CZ2 4.36Å; E156-W176 WeakPolarHBondContact OE1-CZ2 3.36Å; E156-W176 PolarHBondContact OE1-NE1 2.67Å; E156-W176 VanDerWaalsContact OE1-NE1 3.13Å; C158-W176 HydrophobicContact CB-CZ2 4.06Å; Y160-W176 HydrophobicContact CE2-CB 3.95Å; Y160-W176 HydrophobicContact CE2-CG 4.34Å; I172-W176 PolarHBondContact O-N 2.89Å; T173-W176 PolarHBondContact O-N 2.64Å; W176-Q179 PolarHBondContact O-N 3.42Å; W176-H180 AromaticContact CD2-CE1 3.8Å; W176-H180 AromaticContact CD2-ND1 3.74Å; W176-H180 AromaticContact CE2-CE1 3.28Å; W176-H180 AromaticContact CE2-ND1 3.72Å; W176-H180 AromaticContact CE3-ND1 3.77Å; W176-H180 AromaticContact CH2-CE1 3.68Å; W176-H180 AromaticContact CH2-ND1 3.86Å; W176-H180 AromaticContact CH2-NE2 3.96Å; W176-H180 AromaticContact CZ2-CE1 3.25Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.47Å; W176-H180 AromaticContact CZ2-ND1 3.81Å; W176-H180 AromaticContact CZ2-NE2 3.7Å; W176-H180 AromaticContact CZ3-ND1 3.82Å; W176-H180 AromaticContact NE1-CE1 3.64Å; W176-H180 PolarHBondContact O-N 3.22Å; W176-H180 PolarHBondContact O-ND1 3.45Å
177L95.4Very high84.1Confident1 Ų177.5 Ų77.51%0.00538%0.381CS..Hα-helixtrans-63.8-45.6176.9-66170.5000111.8M21 L23 V93 L126 T173 L174 Q175 Q179 H180 S181M21-L177 HydrophobicContact CE-CB 4.36Å; M21-L177 HydrophobicContact CE-CD2 4.46Å; M21-L177 WeakPolarHBondContact CE-O 3.43Å; M21-L177 HydrophobicContact SD-CB 4.22Å; L23-L177 HydrophobicContact CD1-CD1 3.94Å; L23-L177 HydrophobicContact CD1-CD2 3.82Å; L23-L177 HydrophobicContact CD1-CG 4.32Å; L23-L177 HydrophobicContact CD2-CD2 3.86Å; V93-L177 HydrophobicContact CG2-CD2 3.83Å; L126-L177 HydrophobicContact CD2-CD2 3.89Å; L126-L177 HydrophobicContact CD2-CG 4.04Å; T173-L177 HydrophobicContact CG2-CD1 4.29Å; T173-L177 WeakPolarHBondContact O-CG 3.27Å; T173-L177 PolarHBondContact O-N 3.33Å; T173-L177 VanDerWaalsContact O-N 3.12Å; L174-L177 PolarHBondContact O-N 2.88Å; Q175-L177 VanDerWaalsContact C-N 3.32Å; Q175-L177 PolarHBondContact O-N 3.47Å; L177-Q179 VanDerWaalsContact C-N 3.29Å; L177-Q179 PolarHBondContact O-N 3.11Å; L177-H180 WeakPolarHBondContact O-CA 3.21Å; L177-H180 WeakPolarHBondContact O-CB 3.36Å; L177-H180 PolarHBondContact O-N 2.97Å; L177-S181 PolarHBondContact O-N 3.04Å
178I91.8Very high83.4Confident52 Ų5275.7 Ų75.727%0.26738%0.375SS..Hα-helixtrans-62.9-35.7179.9-73.8166.6000111.4K62 V65 L174 Q175 H180 S181K62-I178 HydrophobicContact CB-CD1 4.3Å; V65-I178 HydrophobicContact CB-CG1 4.49Å; V65-I178 HydrophobicContact CG2-CG1 4.27Å; V65-I178 HydrophobicContact CG2-CG2 3.96Å; L174-I178 WeakPolarHBondContact O-CB 3.4Å; L174-I178 WeakPolarHBondContact O-CD1 3.44Å; L174-I178 WeakPolarHBondContact O-CG1 3.32Å; L174-I178 PolarHBondContact O-N 3.15Å; Q175-I178 PolarHBondContact O-N 3.2Å; I178-H180 PolarHBondContact O-N 2.58Å; I178-S181 WeakPolarHBondContact O-CB 3.34Å; I178-S181 PolarHBondContact O-N 3.17Å; I178-S181 PolarHBondContact O-OG 3.32Å
179Q91.5Very high82.6Confident137 Ų13776.1 Ų76.164%0.6438%0.375SS*.Hα-helixtrans-60.1-31.6174.4-71.8169.84.800112.3Q175 W176 L177Q175-Q179 VanDerWaalsContact O-CG 3.3Å; Q175-Q179 WeakPolarHBondContact O-CG 3.34Å; Q175-Q179 PolarHBondContact O-N 2.99Å; W176-Q179 PolarHBondContact O-N 3.42Å; L177-Q179 VanDerWaalsContact C-N 3.29Å; L177-Q179 PolarHBondContact O-N 3.11Å
180H92.8Very high81.7Confident19 Ų1977.8 Ų77.89%0.08838%0.383CS..THydrogen-bonded Turntrans-85.3-1.4177.4-71.683.6000114.4M21 N90 E156 W176 L177 I178 K182 S183M21-H180 HydrophobicContact CE-CB 3.55Å; N90-H180 PolarHBondContact ND2-O 3.26Å; E156-H180 IonicContact OE1-CE1 3.22Å; E156-H180 PolarHBondContact OE1-CE1 3.36Å; E156-H180 IonicContact OE1-NE2 3.72Å; E156-H180 IonicContact OE2-CE1 3.34Å; E156-H180 IonicContact OE2-NE2 3.52Å; E156-H180 PolarHBondContact OE2-NE2 2.87Å; W176-H180 AromaticContact CD2-CE1 3.8Å; W176-H180 AromaticContact CD2-ND1 3.74Å; W176-H180 AromaticContact CE2-CE1 3.28Å; W176-H180 AromaticContact CE2-ND1 3.72Å; W176-H180 AromaticContact CE3-ND1 3.77Å; W176-H180 AromaticContact CH2-CE1 3.68Å; W176-H180 AromaticContact CH2-ND1 3.86Å; W176-H180 AromaticContact CH2-NE2 3.96Å; W176-H180 AromaticContact CZ2-CE1 3.25Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.47Å; W176-H180 AromaticContact CZ2-ND1 3.81Å; W176-H180 AromaticContact CZ2-NE2 3.7Å; W176-H180 AromaticContact CZ3-ND1 3.82Å; W176-H180 AromaticContact NE1-CE1 3.64Å; W176-H180 PolarHBondContact O-N 3.22Å; W176-H180 PolarHBondContact O-ND1 3.45Å; L177-H180 WeakPolarHBondContact O-CA 3.21Å; L177-H180 WeakPolarHBondContact O-CB 3.36Å; L177-H180 PolarHBondContact O-N 2.97Å; I178-H180 PolarHBondContact O-N 2.58Å; H180-K182 VanDerWaalsContact C-N 3.3Å; H180-K182 PolarHBondContact O-N 3.41Å; H180-S183 PolarHBondContact O-OG 3.11Å
181S86.7Confident80.8Confident6 Ų681.7 Ų81.74%0.04240%0.402CS..THydrogen-bonded Turntrans-71.9-25.2176.2680000113E19 L177 I178E19-S181 PolarHBondContact OE2-OG 2.83Å; E19-S181 VanDerWaalsContact OE2-OG 3.11Å; L177-S181 PolarHBondContact O-N 3.04Å; I178-S181 WeakPolarHBondContact O-CB 3.34Å; I178-S181 PolarHBondContact O-N 3.17Å; I178-S181 PolarHBondContact O-OG 3.32Å
182K70.4Confident79.8Confident134 Ų13480.7 Ų80.758%0.58339%0.394SS*.G310 helixtrans-82.3-17.5-176-67.7-178.1179.1176.50114.6E19 H180 R184 R185E19-K182 VanDerWaalsContact OE1-CE 3.24Å; E19-K182 WeakPolarHBondContact OE1-CE 3.45Å; E19-K182 WeakPolarHBondContact OE1-CG 3.26Å; E19-K182 WeakPolarHBondContact OE2-CE 3.24Å; E19-K182 WeakPolarHBondContact OE2-CG 3.44Å; H180-K182 VanDerWaalsContact C-N 3.3Å; H180-K182 PolarHBondContact O-N 3.41Å; K182-R184 PolarHBondContact O-N 3.27Å; K182-R185 PolarHBondContact O-N 3.32Å
183S58.9Low78.6Confident77 Ų7782.6 Ų82.654%0.53840%0.402SS..G310 helixtrans-65.9-7.4-168.659.30000114.5H180 R185H180-S183 PolarHBondContact O-OG 3.11Å; S183-R185 PolarHBondContact O-N 2.91Å
184R52.2Low77.1Confident172 Ų17288.9 Ų88.965%0.64943%0.433SS*.G310 helixtrans-81.910178.7-136.3174.6170-175.1-1114.9K182 S186K182-R184 PolarHBondContact O-N 3.27Å; R184-S186 VanDerWaalsContact C-N 3.28Å; R184-S186 PolarHBondContact O-N 2.93Å; R184-S186 VanDerWaalsContact O-N 3.16Å
185R41.7Very low75.6Confident232 Ų23294.6 Ų94.688%0.87546%0.46SS*.  trans-83.769.1169-74.1-172.9174.1-173.1-0.5111K182 S183K182-R185 PolarHBondContact O-N 3.32Å; S183-R185 PolarHBondContact O-N 2.91Å
186S35.6Very low73.9Confident182 Ų18293.1 Ų93.1100%1.27346%0.455SS*.  trans-150.40148.978.80000109.9R184R184-S186 VanDerWaalsContact C-N 3.28Å; R184-S186 PolarHBondContact O-N 2.93Å; R184-S186 VanDerWaalsContact O-N 3.16Å

Retrieved 186 of 186 residues in 59.6 ms (Link to these results)