A0A096MXD7_PAPAN Loading...

TATA box-binding protein-like 1

Part of a specialized transcription system that mediates the transcription of most ribosomal proteins through the 5'-TCT-3' motif which is a core promoter element at these genes. Seems to also mediate the transcription of NF1. Does not bind the TATA box.

AlphaFold DB (P62380), UniProt , Accession A0A096MXD7, Species PAPAN (Papio anubis, Olive baboon), Gene TBPL1, 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
1M39.4Very low64Low232 Ų232117.3 Ų117.3100%1.14369%0.688SS**  093.40-73.5177.484.400104.4A3M1-A3 PolarHBondContact O-N 3.26Å
2D42.6Very low66.8Low154 Ų154116.8 Ų116.882%0.82468%0.679SS**  trans-66.7121.4-168.6-59.3-37.9000109.5D4D2-D4 PolarHBondContact O-N 3.34Å
3A45.5Very low69.3Low104 Ų104109.8 Ų109.886%0.8664%0.637SS**  trans-77.136-175.100000112.5M1M1-A3 PolarHBondContact O-N 3.26Å
4D50.8Low71.3Confident139 Ų139105.6 Ų105.674%0.74362%0.615SS**  trans-107.326-169.6-149.427.1000113.5D2D2-D4 PolarHBondContact O-N 3.34Å
5S54.1Low73.1Confident106 Ų106101.1 Ų101.174%0.74159%0.587SS**  trans-100.5-2.7-17352.80000116.2V7S5-V7 VanDerWaalsContact C-N 3.26Å; S5-V7 PolarHBondContact O-N 3.09Å
6D55Low74.7Confident162 Ų16294.8 Ų94.887%0.86655%0.55SS**  trans-91.351.9172.1-84.3-14.7000111.3A8D6-A8 VanDerWaalsContact C-N 3.32Å; D6-A8 PolarHBondContact O-N 3.08Å
7V63.3Low76.1Confident65 Ų6590.5 Ų90.539%0.39453%0.526SS..  trans-67.897.5167.4-179.30000107.6S5 L9 P112S5-V7 VanDerWaalsContact C-N 3.26Å; S5-V7 PolarHBondContact O-N 3.09Å; V7-L9 PolarHBondContact O-N 3.32Å; V7-P112 HydrophobicContact CG1-CG 4.29Å
8A78.3Confident77.4Confident90 Ų9085.4 Ų85.474%0.74450%0.496SS*.  trans-62.7106.717200000108.9D6D6-A8 VanDerWaalsContact C-N 3.32Å; D6-A8 PolarHBondContact O-N 3.08Å
9L87.3Confident78.5Confident41 Ų4181.7 Ų81.722%0.21548%0.475CS..  trans-90.9114.2178.2-173.578.5000110V7 I11 C109 N110 M111 V171 Y175V7-L9 PolarHBondContact O-N 3.32Å; L9-I11 PolarHBondContact O-N 2.99Å; L9-C109 HydrophobicContact CD2-CB 4.25Å; L9-C109 HydrophobicContact CG-CB 4.3Å; L9-N110 VanDerWaalsContact CD1-O 3.27Å; L9-N110 WeakPolarHBondContact CD1-O 3.44Å; L9-M111 HydrophobicContact CD1-CE 4.14Å; L9-M111 HydrophobicContact CD1-SD 3.79Å; L9-M111 HydrophobicContact CD2-CE 3.53Å; L9-M111 HydrophobicContact CD2-SD 4.15Å; L9-V171 HydrophobicContact CD2-CG1 3.33Å; L9-Y175 HydrophobicContact CD2-CD2 4.48Å
10D92.2Very high79.5Confident140 Ų14077.7 Ų77.775%0.74945%0.451SS*.  trans-73.8121.6176.6-72.4-29.9000111.8C109D10-C109 VanDerWaalsContact O-CB 3.27Å; D10-C109 WeakPolarHBondContact O-CB 3.37Å
11I96Very high80.4Confident57 Ų5779.2 Ų79.229%0.29245%0.45SS..  trans-103.5104.8172.7-58.9168.7000108.6L9 I13 A107 C109 V167 A168 V171L9-I11 PolarHBondContact O-N 2.99Å; I11-I13 HydrophobicContact CG2-CD1 4.34Å; I11-A107 HydrophobicContact CG2-CB 3.89Å; I11-C109 HydrophobicContact CG1-CB 4.36Å; I11-V167 HydrophobicContact CG2-CG1 4.49Å; I11-A168 HydrophobicContact CD1-CB 4.39Å; I11-V171 HydrophobicContact CD1-CB 3.8Å; I11-V171 HydrophobicContact CD1-CG1 3.87Å; I11-V171 HydrophobicContact CD1-CG2 4.06Å; I11-V171 HydrophobicContact CG1-CB 4.38Å; I11-V171 HydrophobicContact CG1-CG1 4.1Å; I11-V171 HydrophobicContact CG1-CG2 4.32Å
12L97.6Very high83.3Confident111 Ų11168.1 Ų68.158%0.58140%0.395SS*.EExtended strand (participates in β ladder)trans-89.5110.8178.8179.164.2000110.6T14 A107 V108L12-T14 HydrophobicContact CD2-CG2 4.35Å; L12-T14 HydrophobicContact CG-CG2 4.24Å; L12-T14 PolarHBondContact O-N 3.16Å; L12-A107 CarbonylContact O-C 3.53Å; L12-A107 WeakPolarHBondContact O-CA 3.42Å; L12-A107 WeakPolarHBondContact O-CB 3.26Å; L12-V108 HydrophobicContact CB-CG2 3.96Å; L12-V108 HydrophobicContact CD2-CG2 4.13Å; L12-V108 HydrophobicContact CG-CG2 4.36Å; L12-V108 PolarHBondContact N-O 3.29Å; L12-V108 PolarHBondContact O-N 2.93Å
13I98.2Very high85.9Confident26 Ų2668.3 Ų68.313%0.13338%0.384CS..EExtended strand (participates in β ladder)trans-71.7115.5168.9-52.9-53.4000109.3I11 V16 T72 V105 A107 V164I11-I13 HydrophobicContact CG2-CD1 4.34Å; I13-V16 HydrophobicContact CG2-CG2 3.75Å; I13-T72 VanDerWaalsContact CB-O 3.29Å; I13-T72 WeakPolarHBondContact CB-O 3.31Å; I13-T72 WeakPolarHBondContact CG2-O 3.43Å; I13-V105 HydrophobicContact CD1-CG1 4.03Å; I13-V105 HydrophobicContact CG2-CG1 3.93Å; I13-A107 HydrophobicContact CD1-CB 3.65Å; I13-V164 HydrophobicContact CD1-CG1 4.31Å; I13-V164 HydrophobicContact CD1-CG2 4.29Å; I13-V164 HydrophobicContact CG1-CG2 4.33Å
14T97.7Very high88.4Confident52 Ų5264.7 Ų64.732%0.31935%0.353SS..EExtended strand (participates in β ladder)trans-97.7-27.7-176.760.80000112.7L12 L106 V108L12-T14 HydrophobicContact CD2-CG2 4.35Å; L12-T14 HydrophobicContact CG-CG2 4.24Å; L12-T14 PolarHBondContact O-N 3.16Å; T14-L106 PolarHBondContact N-O 3.22Å; T14-L106 WeakPolarHBondContact OG1-CD2 3.39Å; T14-L106 WeakPolarHBondContact OG1-CG 3.36Å; T14-L106 PolarHBondContact OG1-O 3.24Å; T14-V108 HydrophobicContact CG2-CB 4.48Å; T14-V108 HydrophobicContact CG2-CG1 4.09Å; T14-V108 HydrophobicContact CG2-CG2 3.72Å
15N98.5Very high90.6Very high37 Ų3764.6 Ų64.620%0.19835%0.347CS..EExtended strand (participates in β ladder)trans-158.9129.3-179.2-178.832000112.2G70 A71 V105 L106N15-G70 WeakPolarHBondContact OD1-CA 3.32Å; N15-G70 PolarHBondContact OD1-N 3.06Å; N15-A71 CarbonylContact C-O 3.57Å; N15-A71 WeakPolarHBondContact CA-O 3.28Å; N15-V105 WeakPolarHBondContact O-CA 3.36Å; N15-L106 HydrophobicContact CB-CB 4.21Å; N15-L106 PolarHBondContact N-O 3.17Å; N15-L106 PolarHBondContact O-N 3.06Å
16V98.8Very high92.7Very high1 Ų159.6 Ų59.61%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-110.1125167.8-179.60000108.7I13 A71 E74 A77 V102 V105I13-V16 HydrophobicContact CG2-CG2 3.75Å; V16-A71 HydrophobicContact CB-CB 4.39Å; V16-A71 PolarHBondContact N-O 2.76Å; V16-E74 HydrophobicContact CG1-CG 4.37Å; V16-A77 HydrophobicContact CB-CB 4.17Å; V16-A77 HydrophobicContact CG1-CB 3.7Å; V16-V102 HydrophobicContact CG1-CG1 3.87Å; V16-V102 HydrophobicContact CG1-CG2 4.19Å; V16-V105 HydrophobicContact CG1-CG2 4.26Å; V16-V105 HydrophobicContact CG2-CG1 4.38Å; V16-V105 HydrophobicContact CG2-CG2 4.19Å
17V98.8Very high94.8Very high21 Ų2155.6 Ų55.613%0.12729%0.291CS..EExtended strand (participates in β ladder)trans-102.2123175-173.20000108.4I67 C68 T69 V103 N104V17-I67 HydrophobicContact CG1-CG2 3.85Å; V17-C68 WeakPolarHBondContact CA-O 3.27Å; V17-T69 HydrophobicContact CB-CG2 4.46Å; V17-T69 HydrophobicContact CG1-CG2 4Å; V17-T69 HydrophobicContact CG2-CG2 4.04Å; V17-V103 HydrophobicContact CB-CG2 3.96Å; V17-V103 HydrophobicContact CG1-CG2 3.55Å; V17-V103 WeakPolarHBondContact O-CG2 3.38Å; V17-V103 PolarHBondContact O-N 2.85Å; V17-N104 HydrophobicContact CB-CB 4.06Å; V17-N104 HydrophobicContact CG2-CB 4.16Å; V17-N104 PolarHBondContact N-O 3.24Å; V17-N104 PolarHBondContact O-N 3.44Å
18C98.8Very high96.4Very high0 Ų053.2 Ų53.20%028%0.276CS..EExtended strand (participates in β ladder)trans-128.8162.8173.670.20000111.3I67 C68 A77 F100 K101 V102C18-I67 CarbonylContact O-C 3.39Å; C18-I67 WeakPolarHBondContact O-CA 3.46Å; C18-C68 PolarHBondContact N-O 3.46Å; C18-C68 PolarHBondContact O-N 3.02Å; C18-C68 VanDerWaalsContact SG-CB 3.57Å; C18-A77 HydrophobicContact CB-CB 4.37Å; C18-F100 HydrophobicContact CB-CE2 3.8Å; C18-F100 HydrophobicContact CB-CZ 3.99Å; C18-K101 CarbonylContact C-O 3.58Å; C18-K101 VanDerWaalsContact CA-O 3.24Å; C18-K101 WeakPolarHBondContact CA-O 3.43Å; C18-K101 WeakPolarHBondContact CB-O 3.47Å; C18-V102 HydrophobicContact CB-CG2 4.45Å
19V98.8Very high97.4Very high15 Ų1556.5 Ų56.59%0.09127%0.269CS..EExtended strand (participates in β ladder)trans-133.4149.7178.165.60000108.9K65 I66 I67 F100 K101 V103V19-K65 HydrophobicContact CG2-CG 4.09Å; V19-I66 VanDerWaalsContact CA-O 3.26Å; V19-I66 WeakPolarHBondContact CA-O 3.44Å; V19-I66 VanDerWaalsContact CG2-O 3.28Å; V19-I66 WeakPolarHBondContact CG2-O 3.44Å; V19-I67 HydrophobicContact CB-CG1 4.38Å; V19-I67 HydrophobicContact CG2-CG1 4.04Å; V19-F100 CarbonylContact O-C 3.44Å; V19-F100 VanDerWaalsContact O-CA 3.27Å; V19-F100 WeakPolarHBondContact O-CA 3.26Å; V19-K101 HydrophobicContact CG1-CD 4.11Å; V19-K101 HydrophobicContact CG1-CG 3.41Å; V19-K101 VanDerWaalsContact CG1-CG 3.41Å; V19-K101 PolarHBondContact N-O 3.38Å; V19-K101 PolarHBondContact O-N 3.48Å; V19-V103 HydrophobicContact CB-CG1 4.46Å; V19-V103 HydrophobicContact CG1-CG1 3.63Å
20F98.8Very high97.9Very high0 Ų057.6 Ų57.60%027%0.272CS..EExtended strand (participates in β ladder)trans-147.4171.5166.370.7-83.4000110.5T22 I66 A81 A85 F97 F100F20-T22 HydrophobicContact CE2-CG2 4.05Å; F20-I66 HydrophobicContact CD1-CB 4.05Å; F20-I66 HydrophobicContact CD1-CG2 4.24Å; F20-I66 HydrophobicContact CE1-CB 3.62Å; F20-I66 HydrophobicContact CE1-CD1 4.23Å; F20-I66 HydrophobicContact CE1-CG1 4.48Å; F20-I66 HydrophobicContact CE1-CG2 3.49Å; F20-I66 VanDerWaalsContact CE1-CG2 3.49Å; F20-I66 HydrophobicContact CE2-CB 4.28Å; F20-I66 HydrophobicContact CE2-CD1 3.76Å; F20-I66 HydrophobicContact CE2-CG1 4.4Å; F20-I66 HydrophobicContact CZ-CB 3.76Å; F20-I66 HydrophobicContact CZ-CD1 3.46Å; F20-I66 VanDerWaalsContact CZ-CD1 3.46Å; F20-I66 HydrophobicContact CZ-CG1 4.12Å; F20-I66 HydrophobicContact CZ-CG2 3.83Å; F20-I66 PolarHBondContact N-O 2.92Å; F20-I66 PolarHBondContact O-N 3.43Å; F20-A81 HydrophobicContact CD1-CB 3.88Å; F20-A81 HydrophobicContact CE1-CB 3.94Å; F20-A85 HydrophobicContact CE2-CB 3.9Å; F20-A85 HydrophobicContact CZ-CB 4.17Å; F20-F97 HydrophobicContact CB-CD2 4.36Å; F20-F97 HydrophobicContact CB-CE2 3.93Å; F20-F97 HydrophobicContact CB-CZ 4.29Å; F20-F97 AromaticContact CD1-CE2 4Å; F20-F97 HydrophobicContact CD1-CE2 4Å; F20-F97 AromaticContact CD2-CD2 3.54Å; F20-F97 HydrophobicContact CD2-CD2 3.54Å; F20-F97 AromaticContact CD2-CE2 3.72Å; F20-F97 HydrophobicContact CD2-CE2 3.72Å; F20-F97 HydrophobicContact CD2-CG 4.5Å; F20-F97 HydrophobicContact CE1-CE2 4.4Å; F20-F97 AromaticContact CE2-CD2 3.87Å; F20-F97 HydrophobicContact CE2-CD2 3.87Å; F20-F97 HydrophobicContact CE2-CE2 4.16Å; F20-F97 AromaticContact CG-CD2 3.95Å; F20-F97 HydrophobicContact CG-CD2 3.95Å; F20-F97 AromaticContact CG-CE2 3.62Å; F20-F97 HydrophobicContact CG-CE2 3.62Å; F20-F97 HydrophobicContact CG-CZ 4.42Å; F20-F97 HydrophobicContact CZ-CE2 4.47Å; F20-F100 HydrophobicContact CB-CB 4.26Å; F20-F100 HydrophobicContact CB-CD2 4.3Å
21R98.7Very high98.2Very high110 Ų11051 Ų5142%0.41524%0.236SC..EExtended strand (participates in β ladder)trans-119.8146.1174.1-68.1-168177.9-95.86.9111.3G64 T98 D99R21-G64 CarbonylContact C-O 3.52Å; R21-G64 WeakPolarHBondContact CA-O 3.25Å; R21-T98 PolarHBondContact N-O 2.92Å; R21-T98 PolarHBondContact O-N 3.19Å; R21-T98 PolarHBondContact O-OG1 3.41Å; R21-D99 HydrophobicContact CB-CB 4.43Å; R21-D99 WeakPolarHBondContact CD-OD2 3.41Å; R21-D99 HydrophobicContact CG-CB 4.29Å
22T98.4Very high98.2Very high0 Ų049.6 Ų49.60%023%0.234CC..  trans-93-12.2177.461.50000114.6F20 C24 L26 G64 I66 L88 V95 I96F20-T22 HydrophobicContact CE2-CG2 4.05Å; T22-C24 PolarHBondContact O-N 3.23Å; T22-C24 VanDerWaalsContact O-N 3.15Å; T22-C24 PolarHBondContact OG1-O 3.16Å; T22-C24 VanDerWaalsContact OG1-O 3.13Å; T22-L26 HydrophobicContact CG2-CD1 4.11Å; T22-G64 PolarHBondContact N-O 3.38Å; T22-G64 WeakPolarHBondContact OG1-CA 3.45Å; T22-G64 PolarHBondContact OG1-O 2.86Å; T22-I66 HydrophobicContact CG2-CD1 3.62Å; T22-I66 HydrophobicContact CG2-CG1 4.37Å; T22-L88 HydrophobicContact CG2-CD1 4.19Å; T22-V95 HydrophobicContact CG2-CG1 3.78Å; T22-V95 HydrophobicContact CG2-CG2 4.16Å; T22-I96 CarbonylContact C-O 3.55Å; T22-I96 VanDerWaalsContact C-O 3.23Å; T22-I96 VanDerWaalsContact CA-O 3.31Å; T22-I96 WeakPolarHBondContact CA-O 3.48Å; T22-I96 PolarHBondContact O-N 3Å
23R97.2Very high98.2Very high157 Ų15750.5 Ų50.559%0.59224%0.238SC*.SBendtrans56.620.9-174.8-60.9-73.2176.9154.2-3.1115I96 T98 D99R23-I96 HydrophobicContact CB-CB 4.12Å; R23-I96 HydrophobicContact CB-CD1 4.33Å; R23-I96 HydrophobicContact CB-CG1 4.44Å; R23-I96 HydrophobicContact CG-CB 4.29Å; R23-T98 HydrophobicContact CG-CG2 3.96Å; R23-T98 VanDerWaalsContact CG-OG1 3.27Å; R23-T98 WeakPolarHBondContact CG-OG1 3.4Å; R23-T98 PolarHBondContact NE-OG1 2.97Å; R23-D99 IonicContact CZ-OD2 3.38Å; R23-D99 IonicContact NE-OD2 3.36Å; R23-D99 IonicContact NH2-OD1 3.62Å; R23-D99 PolarHBondContact NH2-OD1 3.32Å; R23-D99 IonicContact NH2-OD2 2.67Å; R23-D99 PolarHBondContact NH2-OD2 3.43Å
24C98Very high98.2Very high29 Ų2954.7 Ų54.720%0.19626%0.258CS..SBendtrans-144.3155.5173.961.90000110.7T22 Q94T22-C24 PolarHBondContact O-N 3.23Å; T22-C24 VanDerWaalsContact O-N 3.15Å; T22-C24 PolarHBondContact OG1-O 3.16Å; T22-C24 VanDerWaalsContact OG1-O 3.13Å; C24-Q94 WeakPolarHBondContact CB-O 3.48Å; C24-Q94 PolarHBondContact SG-O 3.17Å
25H98.1Very high98.1Very high137 Ų13753 Ų5363%0.63425%0.25SS*.  trans-69.4132.8172.5177.3-102.1000110.3S62H25-S62 WeakPolarHBondContact CA-O 3.49Å; H25-S62 PolarHBondContact CD2-O 3.04Å
26L98.5Very high97.9Very high0 Ų054.6 Ų54.60%027%0.269CS..  trans-104.8115.6179.5-63.5179.8000110.2T22 L28 I31 I60 S62 I66 L88 F93T22-L26 HydrophobicContact CG2-CD1 4.11Å; L26-L28 PolarHBondContact O-N 3.18Å; L26-I31 HydrophobicContact CB-CD1 4Å; L26-I31 HydrophobicContact CD1-CD1 4.46Å; L26-I60 HydrophobicContact CD1-CG2 3.43Å; L26-I60 VanDerWaalsContact CD1-CG2 3.43Å; L26-S62 PolarHBondContact N-O 2.93Å; L26-S62 WeakPolarHBondContact O-CA 3.46Å; L26-I66 HydrophobicContact CD1-CD1 4.21Å; L26-L88 HydrophobicContact CD1-CD1 4.1Å; L26-L88 HydrophobicContact CD2-CD1 4.49Å; L26-F93 HydrophobicContact CD2-CB 4.05Å; L26-F93 HydrophobicContact CD2-CD1 3.77Å; L26-F93 HydrophobicContact CD2-CD2 4.22Å; L26-F93 HydrophobicContact CD2-CE1 4.3Å; L26-F93 HydrophobicContact CD2-CG 3.74Å
27N98Very high97.8Very high79 Ų7958.6 Ų58.642%0.42229%0.29SS..  trans-71.798.7171-176.4-26.2000109.2R29 K30 I31 F93N27-R29 VanDerWaalsContact C-N 3.26Å; N27-R29 PolarHBondContact O-N 3.35Å; N27-R29 WeakPolarHBondContact OD1-CB 3.31Å; N27-R29 PolarHBondContact OD1-N 3.11Å; N27-R29 VanDerWaalsContact OD1-N 3.08Å; N27-K30 HydrophobicContact CB-CB 3.9Å; N27-K30 WeakPolarHBondContact O-CB 2.97Å; N27-K30 PolarHBondContact O-N 3.12Å; N27-K30 VanDerWaalsContact O-N 3.16Å; N27-K30 PolarHBondContact OD1-N 2.93Å; N27-I31 WeakPolarHBondContact O-CG1 3.48Å; N27-I31 PolarHBondContact O-N 3.1Å; N27-F93 HydrophobicContact CB-CE1 4.09Å; N27-F93 HydrophobicContact CB-CZ 4.2Å
28L98.3Very high97.8Very high15 Ų1559.2 Ų59.28%0.07929%0.294CS..Hα-helixtrans-61.6-33.7-177.6-62.2-173.3000112.9L26 I31 A32 Y40 G45 V47 I60L26-L28 PolarHBondContact O-N 3.18Å; L28-I31 HydrophobicContact CD2-CD1 4.38Å; L28-I31 PolarHBondContact O-N 2.89Å; L28-A32 WeakPolarHBondContact O-CB 3.44Å; L28-A32 PolarHBondContact O-N 3Å; L28-Y40 HydrophobicContact CB-CE2 3.99Å; L28-Y40 HydrophobicContact CD1-CE2 4.49Å; L28-G45 VanDerWaalsContact CD1-O 3.23Å; L28-G45 WeakPolarHBondContact CD1-O 3.16Å; L28-V47 HydrophobicContact CB-CG2 3.95Å; L28-V47 HydrophobicContact CD2-CB 4.48Å; L28-V47 HydrophobicContact CD2-CG2 4.09Å; L28-V47 HydrophobicContact CG-CG2 4.49Å; L28-I60 HydrophobicContact CD2-CG2 4.15Å
29R97.5Very high97.7Very high158 Ų15862.7 Ų62.760%0.59631%0.311SS*.Hα-helixtrans-66.3-42.9176-176.5179.2179.4175.1-0.4110.9N27 A32 L33N27-R29 VanDerWaalsContact C-N 3.26Å; N27-R29 PolarHBondContact O-N 3.35Å; N27-R29 WeakPolarHBondContact OD1-CB 3.31Å; N27-R29 PolarHBondContact OD1-N 3.11Å; N27-R29 VanDerWaalsContact OD1-N 3.08Å; R29-A32 WeakPolarHBondContact O-CB 3.36Å; R29-A32 PolarHBondContact O-N 2.92Å; R29-L33 HydrophobicContact CG-CD1 3.94Å; R29-L33 HydrophobicContact CG-CG 4.46Å; R29-L33 WeakPolarHBondContact O-CG 3.31Å; R29-L33 PolarHBondContact O-N 2.86Å
30K98.2Very high97.7Very high65 Ų6565.7 Ų65.728%0.28332%0.322SS..Hα-helixtrans-59.4-48.5174.5-173.1-178.5-174.9-174.20111.1N27 A32 L33 E34 L91 F93N27-K30 HydrophobicContact CB-CB 3.9Å; N27-K30 WeakPolarHBondContact O-CB 2.97Å; N27-K30 PolarHBondContact O-N 3.12Å; N27-K30 VanDerWaalsContact O-N 3.16Å; N27-K30 PolarHBondContact OD1-N 2.93Å; K30-A32 VanDerWaalsContact C-N 3.26Å; K30-A32 PolarHBondContact O-N 3.46Å; K30-L33 PolarHBondContact O-N 2.92Å; K30-E34 VanDerWaalsContact CE-CD 3.45Å; K30-E34 VanDerWaalsContact CE-OE1 3.25Å; K30-E34 WeakPolarHBondContact CE-OE1 3.41Å; K30-E34 WeakPolarHBondContact CE-OE2 3.35Å; K30-E34 HydrophobicContact CG-CG 4.47Å; K30-E34 WeakPolarHBondContact CG-OE1 3.38Å; K30-E34 IonicContact NZ-OE2 3.9Å; K30-E34 WeakPolarHBondContact O-CB 3.25Å; K30-E34 PolarHBondContact O-N 2.87Å; K30-L91 VanDerWaalsContact CE-O 3.31Å; K30-L91 WeakPolarHBondContact CE-O 3.48Å; K30-L91 PolarHBondContact NZ-O 3.34Å; K30-F93 HydrophobicContact CB-CZ 4.22Å; K30-F93 HydrophobicContact CD-CE2 4.43Å; K30-F93 HydrophobicContact CD-CZ 3.96Å; K30-F93 HydrophobicContact CG-CZ 4.37Å
31I98.4Very high97.5Very high0 Ų070 Ų700%034%0.341CS..Hα-helixtrans-59.2-39.6176.8-62167.7000111.1L26 N27 L28 G35 V38 V47 M49 I60 L88 L91 F93L26-I31 HydrophobicContact CB-CD1 4Å; L26-I31 HydrophobicContact CD1-CD1 4.46Å; N27-I31 WeakPolarHBondContact O-CG1 3.48Å; N27-I31 PolarHBondContact O-N 3.1Å; L28-I31 HydrophobicContact CD2-CD1 4.38Å; L28-I31 PolarHBondContact O-N 2.89Å; I31-G35 WeakPolarHBondContact O-CA 3.49Å; I31-G35 PolarHBondContact O-N 3.34Å; I31-V38 HydrophobicContact CG2-CG1 4.25Å; I31-V47 HydrophobicContact CG2-CG1 3.91Å; I31-M49 HydrophobicContact CG2-CE 3.71Å; I31-I60 HydrophobicContact CD1-CG2 4.19Å; I31-L88 HydrophobicContact CD1-CD2 3.65Å; I31-L88 HydrophobicContact CG1-CD2 4.01Å; I31-L88 HydrophobicContact CG2-CD2 4.47Å; I31-L91 HydrophobicContact CG1-CD1 4.27Å; I31-L91 HydrophobicContact CG2-CD1 4.37Å; I31-F93 HydrophobicContact CD1-CE2 4.01Å; I31-F93 HydrophobicContact CD1-CZ 4.16Å; I31-F93 HydrophobicContact CG1-CD2 4.47Å; I31-F93 HydrophobicContact CG1-CE2 3.46Å; I31-F93 VanDerWaalsContact CG1-CE2 3.46Å; I31-F93 HydrophobicContact CG1-CZ 3.73Å
32A97.6Very high97.2Very high28 Ų2872.8 Ų72.823%0.23135%0.351CS..Hα-helixtrans-67.2-34.9178.700000113.6L28 R29 K30 Y40L28-A32 WeakPolarHBondContact O-CB 3.44Å; L28-A32 PolarHBondContact O-N 3Å; R29-A32 WeakPolarHBondContact O-CB 3.36Å; R29-A32 PolarHBondContact O-N 2.92Å; K30-A32 VanDerWaalsContact C-N 3.26Å; K30-A32 PolarHBondContact O-N 3.46Å; A32-Y40 HydrophobicContact CB-CD1 3.76Å; A32-Y40 HydrophobicContact CB-CG 3.79Å
33L97.3Very high96.9Very high130 Ų13079.1 Ų79.168%0.68139%0.385SS*.Hα-helixtrans-83.5-39.3-177.6-70.5171.3000112.8R29 K30R29-L33 HydrophobicContact CG-CD1 3.94Å; R29-L33 HydrophobicContact CG-CG 4.46Å; R29-L33 WeakPolarHBondContact O-CG 3.31Å; R29-L33 PolarHBondContact O-N 2.86Å; K30-L33 PolarHBondContact O-N 2.92Å
34E98Very high96.7Very high115 Ų11575.4 Ų75.454%0.53738%0.379SS..Hα-helixtrans-107.5-17.6-171.5-62.2173.6-151.800113K30 L91K30-E34 VanDerWaalsContact CE-CD 3.45Å; K30-E34 VanDerWaalsContact CE-OE1 3.25Å; K30-E34 WeakPolarHBondContact CE-OE1 3.41Å; K30-E34 WeakPolarHBondContact CE-OE2 3.35Å; K30-E34 HydrophobicContact CG-CG 4.47Å; K30-E34 WeakPolarHBondContact CG-OE1 3.38Å; K30-E34 IonicContact NZ-OE2 3.9Å; K30-E34 WeakPolarHBondContact O-CB 3.25Å; K30-E34 PolarHBondContact O-N 2.87Å; E34-L91 HydrophobicContact CB-CD2 3.85Å
35G96.1Very high96.6Very high16 Ų1675.6 Ų75.617%0.16539%0.386CS..  trans-78.5148.5-177.700000113.3I31 V38I31-G35 WeakPolarHBondContact O-CA 3.49Å; I31-G35 PolarHBondContact O-N 3.34Å; G35-V38 WeakPolarHBondContact O-CG2 3.35Å
36A93.8Very high96.6Very high71 Ų7171.6 Ų71.659%0.58737%0.367SS*.SBendtrans-89.8141.2176.500000112.3V38A36-V38 VanDerWaalsContact C-N 3.34Å; A36-V38 PolarHBondContact O-N 2.8Å
37N97Very high96.6Very high84 Ų8471.6 Ų71.645%0.44937%0.367SS..SBendtrans5545.4176.6-52.1-69.8000113.3K50N37-K50 HydrophobicContact CB-CB 4.24Å; N37-K50 PolarHBondContact O-N 3.17Å
38V97.8Very high96.6Very high34 Ų3469.5 Ų69.521%0.20636%0.356CS..EExtended strand (participates in β ladder)trans-107149.2-178.4-63.60000112.2I31 G35 A36 V47 L48 M49I31-V38 HydrophobicContact CG2-CG1 4.25Å; G35-V38 WeakPolarHBondContact O-CG2 3.35Å; A36-V38 VanDerWaalsContact C-N 3.34Å; A36-V38 PolarHBondContact O-N 2.8Å; V38-V47 HydrophobicContact CB-CG1 3.95Å; V38-V47 HydrophobicContact CG1-CG1 4.09Å; V38-L48 CarbonylContact C-O 3.59Å; V38-L48 WeakPolarHBondContact CA-O 3.23Å; V38-M49 HydrophobicContact CG1-CB 4.03Å; V38-M49 HydrophobicContact CG1-CE 3.73Å; V38-M49 HydrophobicContact CG1-CG 3.98Å
39I97.6Very high96.6Very high73 Ų7369.2 Ų69.237%0.37435%0.354SS..EExtended strand (participates in β ladder)trans-125.6117.7168.2-59.4171.3000107.1K41 L48I39-K41 HydrophobicContact CG2-CD 4.46Å; I39-K41 HydrophobicContact CG2-CG 4.42Å; I39-L48 HydrophobicContact CB-CB 4.28Å; I39-L48 PolarHBondContact N-O 3.42Å; I39-L48 PolarHBondContact O-N 3.25Å
40Y97.7Very high96.7Very high78 Ų7867.1 Ų67.131%0.30635%0.349SS..EExtended strand (participates in β ladder)trans-88.6116.5177.5-173.4-158.2000110.9L28 A32 R42 V47L28-Y40 HydrophobicContact CB-CE2 3.99Å; L28-Y40 HydrophobicContact CD1-CE2 4.49Å; A32-Y40 HydrophobicContact CB-CD1 3.76Å; A32-Y40 HydrophobicContact CB-CG 3.79Å; Y40-R42 HydrophobicContact CD1-CB 4.47Å; Y40-R42 HydrophobicContact CE1-CB 4.04Å; Y40-R42 HydrophobicContact CE1-CG 4.29Å; Y40-R42 HydrophobicContact CE2-CB 4.08Å; Y40-V47 HydrophobicContact CD2-CG2 3.63Å; Y40-V47 HydrophobicContact CE2-CG2 4.26Å; Y40-V47 HydrophobicContact CG-CG2 4.28Å
41K95.5Very high96.6Very high92 Ų9265 Ų6540%0.434%0.341SS..EExtended strand (participates in β ladder)trans-104.680.1174-66.2-69-178.2175.10108.3I39 D43 V44 G45 K46I39-K41 HydrophobicContact CG2-CD 4.46Å; I39-K41 HydrophobicContact CG2-CG 4.42Å; K41-D43 VanDerWaalsContact C-N 3.29Å; K41-D43 WeakPolarHBondContact CA-OD1 3.47Å; K41-D43 PolarHBondContact O-N 2.93Å; K41-V44 PolarHBondContact O-N 3.3Å; K41-G45 PolarHBondContact O-N 3.15Å; K41-G45 VanDerWaalsContact O-N 3.12Å; K41-K46 CarbonylContact C-O 3.44Å; K41-K46 HydrophobicContact CB-CG 3.97Å; K41-K46 PolarHBondContact N-O 2.86Å; K41-K46 PolarHBondContact O-N 2.86Å; K41-K46 VanDerWaalsContact O-N 3.11Å
42R91.4Very high96.5Very high167 Ų16774.2 Ų74.263%0.6338%0.376SS*.THydrogen-bonded Turntrans-62.5-38.2-175-175.9-177.2-68.3-173.72.8111.8Y40 V44 G45Y40-R42 HydrophobicContact CD1-CB 4.47Å; Y40-R42 HydrophobicContact CE1-CB 4.04Å; Y40-R42 HydrophobicContact CE1-CG 4.29Å; Y40-R42 HydrophobicContact CE2-CB 4.08Å; R42-V44 VanDerWaalsContact C-N 3.26Å; R42-V44 PolarHBondContact O-N 3.04Å; R42-G45 PolarHBondContact O-N 3.37Å; R42-G45 VanDerWaalsContact O-N 3.09Å
43D93.2Very high96.3Very high133 Ų13380.7 Ų80.771%0.71140%0.399SS*.THydrogen-bonded Turntrans-54.9-36.7175.258.2-46.3000113.2K41K41-D43 VanDerWaalsContact C-N 3.29Å; K41-D43 WeakPolarHBondContact CA-OD1 3.47Å; K41-D43 PolarHBondContact O-N 2.93Å
44V93.6Very high96.2Very high79 Ų7975.3 Ų75.348%0.47937%0.371SS..THydrogen-bonded Turntrans-102.14.6178.8-160.80000112.3K41 R42 K46K41-V44 PolarHBondContact O-N 3.3Å; R42-V44 VanDerWaalsContact C-N 3.26Å; R42-V44 PolarHBondContact O-N 3.04Å; V44-K46 VanDerWaalsContact C-N 3.34Å; V44-K46 HydrophobicContact CB-CD 4.14Å; V44-K46 HydrophobicContact CB-CG 4.25Å; V44-K46 HydrophobicContact CG1-CD 3.97Å; V44-K46 PolarHBondContact O-N 3.13Å
45G95.6Very high96.1Very high33 Ų3380 Ų8034%0.3438%0.384SS..THydrogen-bonded Turntrans60.338179.900000114.1L28 K41 R42L28-G45 VanDerWaalsContact CD1-O 3.23Å; L28-G45 WeakPolarHBondContact CD1-O 3.16Å; K41-G45 PolarHBondContact O-N 3.15Å; K41-G45 VanDerWaalsContact O-N 3.12Å; R42-G45 PolarHBondContact O-N 3.37Å; R42-G45 VanDerWaalsContact O-N 3.09Å
46K97.9Very high96.3Very high53 Ų5379.4 Ų79.423%0.2338%0.377CS..EExtended strand (participates in β ladder)trans-141156-178.373.2-168.3-172.7179.80113.7K41 V44 T59 I60K41-K46 CarbonylContact C-O 3.44Å; K41-K46 HydrophobicContact CB-CG 3.97Å; K41-K46 PolarHBondContact N-O 2.86Å; K41-K46 PolarHBondContact O-N 2.86Å; K41-K46 VanDerWaalsContact O-N 3.11Å; V44-K46 VanDerWaalsContact C-N 3.34Å; V44-K46 HydrophobicContact CB-CD 4.14Å; V44-K46 HydrophobicContact CB-CG 4.25Å; V44-K46 HydrophobicContact CG1-CD 3.97Å; V44-K46 PolarHBondContact O-N 3.13Å; K46-T59 HydrophobicContact CB-CG2 4.21Å; K46-T59 HydrophobicContact CD-CG2 3.71Å; K46-T59 HydrophobicContact CG-CG2 4.29Å; K46-I60 VanDerWaalsContact CA-O 3.31Å; K46-I60 WeakPolarHBondContact CA-O 3.45Å
47V98.5Very high96.5Very high0 Ų078 Ų780%036%0.362CS..EExtended strand (participates in β ladder)trans-113.51341681720000109L28 I31 V38 Y40 I60L28-V47 HydrophobicContact CB-CG2 3.95Å; L28-V47 HydrophobicContact CD2-CB 4.48Å; L28-V47 HydrophobicContact CD2-CG2 4.09Å; L28-V47 HydrophobicContact CG-CG2 4.49Å; I31-V47 HydrophobicContact CG2-CG1 3.91Å; V38-V47 HydrophobicContact CB-CG1 3.95Å; V38-V47 HydrophobicContact CG1-CG1 4.09Å; Y40-V47 HydrophobicContact CD2-CG2 3.63Å; Y40-V47 HydrophobicContact CE2-CG2 4.26Å; Y40-V47 HydrophobicContact CG-CG2 4.28Å; V47-I60 HydrophobicContact CB-CB 4.44Å; V47-I60 PolarHBondContact N-O 3.32Å; V47-I60 PolarHBondContact O-N 3.19Å
48L98.4Very high96.6Very high35 Ų3574 Ų7418%0.18334%0.34CS..EExtended strand (participates in β ladder)trans-93.3129.2165.7-56.7177.9000108.5V38 I39 T57 A58 T59V38-L48 CarbonylContact C-O 3.59Å; V38-L48 WeakPolarHBondContact CA-O 3.23Å; I39-L48 HydrophobicContact CB-CB 4.28Å; I39-L48 PolarHBondContact N-O 3.42Å; I39-L48 PolarHBondContact O-N 3.25Å; L48-T57 HydrophobicContact CB-CG2 4.39Å; L48-T57 HydrophobicContact CD2-CG2 4.39Å; L48-A58 CarbonylContact C-O 3.43Å; L48-A58 VanDerWaalsContact CA-O 3.25Å; L48-A58 WeakPolarHBondContact CA-O 3.15Å; L48-T59 HydrophobicContact CD2-CG2 4.01Å; L48-T59 WeakPolarHBondContact CD2-OG1 3.46Å
49M98.5Very high96.6Very high9 Ų973.4 Ų73.44%0.04434%0.336CS..EExtended strand (participates in β ladder)trans-122.4125.1174.5-178.9-178.7-72.200109.3I31 V38 A58 I60 L84 L88I31-M49 HydrophobicContact CG2-CE 3.71Å; V38-M49 HydrophobicContact CG1-CB 4.03Å; V38-M49 HydrophobicContact CG1-CE 3.73Å; V38-M49 HydrophobicContact CG1-CG 3.98Å; M49-A58 HydrophobicContact CB-CB 4.27Å; M49-A58 PolarHBondContact N-O 2.85Å; M49-A58 PolarHBondContact O-N 2.75Å; M49-I60 HydrophobicContact CB-CD1 3.86Å; M49-I60 HydrophobicContact CE-CD1 4.15Å; M49-I60 HydrophobicContact SD-CD1 4.37Å; M49-L84 HydrophobicContact CB-CD2 4.47Å; M49-L84 HydrophobicContact CG-CD2 4.06Å; M49-L84 HydrophobicContact SD-CD2 3.79Å; M49-L88 HydrophobicContact CE-CD2 4.24Å
50K98.1Very high96.7Very high115 Ų11570 Ų7050%0.532%0.319SS..EExtended strand (participates in β ladder)trans-97.7120-178.7-64.7-176.2179.1179.60111N37N37-K50 HydrophobicContact CB-CB 4.24Å; N37-K50 PolarHBondContact O-N 3.17Å
51L97.4Very high96.7Very high20 Ų2069.5 Ų69.511%0.10532%0.317CS..EExtended strand (participates in β ladder)trans-95.4132.2168.4-175.767.9000108.9P54 R55 I56 R83 L84L51-P54 CarbonylContact C-O 3.51Å; L51-P54 WeakPolarHBondContact CG-O 3.07Å; L51-P54 VanDerWaalsContact O-O 3.05Å; L51-R55 WeakPolarHBondContact O-CA 3.35Å; L51-I56 HydrophobicContact CB-CB 4.32Å; L51-I56 PolarHBondContact N-O 3.05Å; L51-I56 PolarHBondContact O-N 2.82Å; L51-R83 HydrophobicContact CD1-CB 4.45Å; L51-R83 HydrophobicContact CD2-CB 3.92Å; L51-L84 HydrophobicContact CB-CD2 4.28Å; L51-L84 HydrophobicContact CD2-CG 4.45Å
52R95.6Very high96.8Very high193 Ų19367.5 Ų67.573%0.72831%0.314SS*.THydrogen-bonded Turntrans-83.9-36.1-179.4-69.3-175.2-179.5130.31113.9P54 R55R52-P54 VanDerWaalsContact C-C 3.5Å; R52-P54 CarbonylContact C-O 3.59Å; R52-P54 VanDerWaalsContact C-O 3.3Å; R52-P54 CarbonylContact O-C 3.59Å; R52-R55 PolarHBondContact O-N 3.01Å
53K93.8Very high97.1Very high165 Ų16563.1 Ų63.172%0.71731%0.309SS*.THydrogen-bonded Turntrans-130.1107.8-177.9-67.1-169.7178.3-1730110.7R83K53-R83 VanDerWaalsContact O-CZ 3.31Å; K53-R83 PolarHBondContact O-NH1 2.97Å
54P95.5Very high97.4Very high16 Ų1656.8 Ų56.810%0.10428%0.275CS..THydrogen-bonded Turncis-62.1164-15.428.6-35.7000110.9L51 R52 I56 E76 F79L51-P54 CarbonylContact C-O 3.51Å; L51-P54 WeakPolarHBondContact CG-O 3.07Å; L51-P54 VanDerWaalsContact O-O 3.05Å; R52-P54 VanDerWaalsContact C-C 3.5Å; R52-P54 CarbonylContact C-O 3.59Å; R52-P54 VanDerWaalsContact C-O 3.3Å; R52-P54 CarbonylContact O-C 3.59Å; P54-I56 HydrophobicContact CB-CG1 4.38Å; P54-I56 HydrophobicContact CG-CD1 3.76Å; P54-I56 HydrophobicContact CG-CG1 4.01Å; P54-I56 PolarHBondContact O-N 3.25Å; P54-E76 HydrophobicContact CB-CB 4.25Å; P54-E76 HydrophobicContact CB-CG 4.4Å; P54-E76 HydrophobicContact CG-CB 4.3Å; P54-F79 HydrophobicContact CG-CD1 4.34Å
55R96.5Very high97.6Very high214 Ų21456.8 Ų56.881%0.80827%0.269SS*.THydrogen-bonded Turntrans-70.198.7176.6-178177.1175.4165.1-3.2108.9L51 R52 G70L51-R55 WeakPolarHBondContact O-CA 3.35Å; R52-R55 PolarHBondContact O-N 3.01Å; R55-G70 CarbonylContact O-C 3.53Å; R55-G70 VanDerWaalsContact O-C 3.29Å
56I98.3Very high97.7Very high3 Ų355.3 Ų55.32%0.01525%0.253CS..EExtended strand (participates in β ladder)trans-131.2141.6-179.3-68-173.4000110L51 P54 C68 T69 A71 L84L51-I56 HydrophobicContact CB-CB 4.32Å; L51-I56 PolarHBondContact N-O 3.05Å; L51-I56 PolarHBondContact O-N 2.82Å; P54-I56 HydrophobicContact CB-CG1 4.38Å; P54-I56 HydrophobicContact CG-CD1 3.76Å; P54-I56 HydrophobicContact CG-CG1 4.01Å; P54-I56 PolarHBondContact O-N 3.25Å; I56-C68 HydrophobicContact CG2-CB 3.74Å; I56-T69 CarbonylContact C-O 3.3Å; I56-T69 VanDerWaalsContact CA-O 3.31Å; I56-T69 WeakPolarHBondContact CA-O 3.49Å; I56-A71 HydrophobicContact CD1-CB 3.93Å; I56-A71 HydrophobicContact CG1-CB 4.11Å; I56-L84 HydrophobicContact CG2-CD1 3.85Å
57T98.6Very high97.8Very high43 Ų4354.8 Ų54.826%0.26425%0.252SS..EExtended strand (participates in β ladder)trans-106.3119.8164.7-57.70000109.2L48 C68 T69L48-T57 HydrophobicContact CB-CG2 4.39Å; L48-T57 HydrophobicContact CD2-CG2 4.39Å; T57-C68 WeakPolarHBondContact O-CA 3.12Å; T57-T69 PolarHBondContact N-O 3.35Å; T57-T69 PolarHBondContact O-N 3.29Å
58A98.7Very high97.8Very high0 Ų054.8 Ų54.80%025%0.252CS..EExtended strand (participates in β ladder)trans-91128.2171.400000109.4L48 M49 I60 I66 I67 L84L48-A58 CarbonylContact C-O 3.43Å; L48-A58 VanDerWaalsContact CA-O 3.25Å; L48-A58 WeakPolarHBondContact CA-O 3.15Å; M49-A58 HydrophobicContact CB-CB 4.27Å; M49-A58 PolarHBondContact N-O 2.85Å; M49-A58 PolarHBondContact O-N 2.75Å; A58-I60 HydrophobicContact CB-CD1 4.33Å; A58-I60 HydrophobicContact CB-CG1 4.11Å; A58-I66 HydrophobicContact CB-CG2 4.01Å; A58-I67 CarbonylContact C-O 3.29Å; A58-I67 WeakPolarHBondContact CA-O 3.38Å; A58-L84 HydrophobicContact CB-CD1 3.56Å; A58-L84 HydrophobicContact CB-CD2 3.69Å; A58-L84 HydrophobicContact CB-CG 4.17Å
59T98.6Very high97.8Very high20 Ų2055.3 Ų55.312%0.12326%0.257CS..EExtended strand (participates in β ladder)trans-98.7120164.4-53.60000108.1K46 L48 W61 I66 I67K46-T59 HydrophobicContact CB-CG2 4.21Å; K46-T59 HydrophobicContact CD-CG2 3.71Å; K46-T59 HydrophobicContact CG-CG2 4.29Å; L48-T59 HydrophobicContact CD2-CG2 4.01Å; L48-T59 WeakPolarHBondContact CD2-OG1 3.46Å; T59-W61 HydrophobicContact CG2-CD2 4.42Å; T59-W61 HydrophobicContact CG2-CE3 4.19Å; T59-W61 HydrophobicContact CG2-CH2 3.21Å; T59-W61 HydrophobicContact CG2-CZ2 3.47Å; T59-W61 VanDerWaalsContact CG2-CZ2 3.47Å; T59-W61 HydrophobicContact CG2-CZ3 3.61Å; T59-W61 WeakPolarHBondContact O-CZ3 3.47Å; T59-I66 VanDerWaalsContact O-CA 3.31Å; T59-I66 WeakPolarHBondContact O-CA 3.31Å; T59-I67 PolarHBondContact N-O 3.45Å; T59-I67 PolarHBondContact O-N 3.07Å
60I98.7Very high97.8Very high1 Ų156.4 Ų56.41%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-118.3127.6-169.4-56.6171.3000108.9L26 L28 I31 K46 V47 M49 A58 I66 L88L26-I60 HydrophobicContact CD1-CG2 3.43Å; L26-I60 VanDerWaalsContact CD1-CG2 3.43Å; L28-I60 HydrophobicContact CD2-CG2 4.15Å; I31-I60 HydrophobicContact CD1-CG2 4.19Å; K46-I60 VanDerWaalsContact CA-O 3.31Å; K46-I60 WeakPolarHBondContact CA-O 3.45Å; V47-I60 HydrophobicContact CB-CB 4.44Å; V47-I60 PolarHBondContact N-O 3.32Å; V47-I60 PolarHBondContact O-N 3.19Å; M49-I60 HydrophobicContact CB-CD1 3.86Å; M49-I60 HydrophobicContact CE-CD1 4.15Å; M49-I60 HydrophobicContact SD-CD1 4.37Å; A58-I60 HydrophobicContact CB-CD1 4.33Å; A58-I60 HydrophobicContact CB-CG1 4.11Å; I60-I66 HydrophobicContact CB-CG1 4.41Å; I60-I66 HydrophobicContact CG1-CD1 4.17Å; I60-I66 HydrophobicContact CG1-CG1 4.11Å; I60-I66 HydrophobicContact CG1-CG2 4.13Å; I60-I66 HydrophobicContact CG2-CD1 4.28Å; I60-I66 HydrophobicContact CG2-CG1 4.16Å; I60-L88 HydrophobicContact CD1-CD2 4.36Å
61W98.4Very high97.8Very high69 Ų6951 Ų5126%0.26125%0.247SC..EExtended strand (participates in β ladder)trans-110156.1174-67.7-92.8000111T59 S63 G64 K65 I67T59-W61 HydrophobicContact CG2-CD2 4.42Å; T59-W61 HydrophobicContact CG2-CE3 4.19Å; T59-W61 HydrophobicContact CG2-CH2 3.21Å; T59-W61 HydrophobicContact CG2-CZ2 3.47Å; T59-W61 VanDerWaalsContact CG2-CZ2 3.47Å; T59-W61 HydrophobicContact CG2-CZ3 3.61Å; T59-W61 WeakPolarHBondContact O-CZ3 3.47Å; W61-S63 PolarHBondContact O-N 3.22Å; W61-S63 VanDerWaalsContact O-N 3.16Å; W61-G64 PolarHBondContact O-N 3.25Å; W61-K65 HydrophobicContact CE3-CB 4.43Å; W61-K65 HydrophobicContact CE3-CG 4.37Å; W61-K65 PolarHBondContact N-O 3.2Å; W61-I67 HydrophobicContact CH2-CB 4.23Å; W61-I67 HydrophobicContact CH2-CD1 3.69Å; W61-I67 HydrophobicContact CH2-CG1 3.98Å; W61-I67 HydrophobicContact CZ3-CB 3.98Å; W61-I67 HydrophobicContact CZ3-CD1 3.93Å; W61-I67 HydrophobicContact CZ3-CG1 3.71Å
62S97.9Very high97.7Very high50 Ų5053.4 Ų53.435%0.3526%0.263SS..THydrogen-bonded Turntrans-59.3-26.9178.553.70000113.3H25 L26 G64H25-S62 WeakPolarHBondContact CA-O 3.49Å; H25-S62 PolarHBondContact CD2-O 3.04Å; L26-S62 PolarHBondContact N-O 2.93Å; L26-S62 WeakPolarHBondContact O-CA 3.46Å; S62-G64 PolarHBondContact O-N 2.88Å; S62-G64 VanDerWaalsContact O-N 3.1Å
63S97.9Very high97.8Very high74 Ų7446 Ų4652%0.51724%0.241SC..THydrogen-bonded Turntrans-66.7-4.2175.264.20000114.8W61 K65W61-S63 PolarHBondContact O-N 3.22Å; W61-S63 VanDerWaalsContact O-N 3.16Å; S63-K65 PolarHBondContact O-N 2.99Å
64G98.2Very high98.1Very high0 Ų041.4 Ų41.40%022%0.222CC..SBendtrans78.83.6-176.700000114.3R21 T22 W61 S62R21-G64 CarbonylContact C-O 3.52Å; R21-G64 WeakPolarHBondContact CA-O 3.25Å; T22-G64 PolarHBondContact N-O 3.38Å; T22-G64 WeakPolarHBondContact OG1-CA 3.45Å; T22-G64 PolarHBondContact OG1-O 2.86Å; W61-G64 PolarHBondContact O-N 3.25Å; S62-G64 PolarHBondContact O-N 2.88Å; S62-G64 VanDerWaalsContact O-N 3.1Å
65K98.5Very high98.2Very high80 Ų8048.4 Ų48.435%0.34825%0.253SS..EExtended strand (participates in β ladder)trans-71.8135.9166.5-176.4-179.7179.4-176.50108.8V19 W61 S63V19-K65 HydrophobicContact CG2-CG 4.09Å; W61-K65 HydrophobicContact CE3-CB 4.43Å; W61-K65 HydrophobicContact CE3-CG 4.37Å; W61-K65 PolarHBondContact N-O 3.2Å; S63-K65 PolarHBondContact O-N 2.99Å
66I98.8Very high98.3Very high1 Ų141.8 Ų41.81%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-134.2128.1175.3-59.2178.9000109.1V19 F20 T22 L26 A58 T59 I60 L88V19-I66 VanDerWaalsContact CA-O 3.26Å; V19-I66 WeakPolarHBondContact CA-O 3.44Å; V19-I66 VanDerWaalsContact CG2-O 3.28Å; V19-I66 WeakPolarHBondContact CG2-O 3.44Å; F20-I66 HydrophobicContact CD1-CB 4.05Å; F20-I66 HydrophobicContact CD1-CG2 4.24Å; F20-I66 HydrophobicContact CE1-CB 3.62Å; F20-I66 HydrophobicContact CE1-CD1 4.23Å; F20-I66 HydrophobicContact CE1-CG1 4.48Å; F20-I66 HydrophobicContact CE1-CG2 3.49Å; F20-I66 VanDerWaalsContact CE1-CG2 3.49Å; F20-I66 HydrophobicContact CE2-CB 4.28Å; F20-I66 HydrophobicContact CE2-CD1 3.76Å; F20-I66 HydrophobicContact CE2-CG1 4.4Å; F20-I66 HydrophobicContact CZ-CB 3.76Å; F20-I66 HydrophobicContact CZ-CD1 3.46Å; F20-I66 VanDerWaalsContact CZ-CD1 3.46Å; F20-I66 HydrophobicContact CZ-CG1 4.12Å; F20-I66 HydrophobicContact CZ-CG2 3.83Å; F20-I66 PolarHBondContact N-O 2.92Å; F20-I66 PolarHBondContact O-N 3.43Å; T22-I66 HydrophobicContact CG2-CD1 3.62Å; T22-I66 HydrophobicContact CG2-CG1 4.37Å; L26-I66 HydrophobicContact CD1-CD1 4.21Å; A58-I66 HydrophobicContact CB-CG2 4.01Å; T59-I66 VanDerWaalsContact O-CA 3.31Å; T59-I66 WeakPolarHBondContact O-CA 3.31Å; I60-I66 HydrophobicContact CB-CG1 4.41Å; I60-I66 HydrophobicContact CG1-CD1 4.17Å; I60-I66 HydrophobicContact CG1-CG1 4.11Å; I60-I66 HydrophobicContact CG1-CG2 4.13Å; I60-I66 HydrophobicContact CG2-CD1 4.28Å; I60-I66 HydrophobicContact CG2-CG1 4.16Å; I66-L88 HydrophobicContact CD1-CD1 3.34Å
67I98.8Very high98.3Very high42 Ų4241.7 Ų41.722%0.21523%0.231CC..EExtended strand (participates in β ladder)trans-107.4129.3171.7-63.6179.6000108.1V17 C18 V19 A58 T59 W61 T69V17-I67 HydrophobicContact CG1-CG2 3.85Å; C18-I67 CarbonylContact O-C 3.39Å; C18-I67 WeakPolarHBondContact O-CA 3.46Å; V19-I67 HydrophobicContact CB-CG1 4.38Å; V19-I67 HydrophobicContact CG2-CG1 4.04Å; A58-I67 CarbonylContact C-O 3.29Å; A58-I67 WeakPolarHBondContact CA-O 3.38Å; T59-I67 PolarHBondContact N-O 3.45Å; T59-I67 PolarHBondContact O-N 3.07Å; W61-I67 HydrophobicContact CH2-CB 4.23Å; W61-I67 HydrophobicContact CH2-CD1 3.69Å; W61-I67 HydrophobicContact CH2-CG1 3.98Å; W61-I67 HydrophobicContact CZ3-CB 3.98Å; W61-I67 HydrophobicContact CZ3-CD1 3.93Å; W61-I67 HydrophobicContact CZ3-CG1 3.71Å; I67-T69 HydrophobicContact CG2-CG2 4.32Å
68C98.8Very high98.3Very high1 Ų144.6 Ų44.61%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-109.6135.6176.3-58.20000109.6V17 C18 I56 T57 L84V17-C68 WeakPolarHBondContact CA-O 3.27Å; C18-C68 PolarHBondContact N-O 3.46Å; C18-C68 PolarHBondContact O-N 3.02Å; C18-C68 VanDerWaalsContact SG-CB 3.57Å; I56-C68 HydrophobicContact CG2-CB 3.74Å; T57-C68 WeakPolarHBondContact O-CA 3.12Å; C68-L84 VanDerWaalsContact SG-CD1 3.54Å
69T98.5Very high98.3Very high45 Ų4550.1 Ų50.128%0.27626%0.264SS..EExtended strand (participates in β ladder)trans-133.2157.4174.259.60000110.9V17 I56 T57 I67V17-T69 HydrophobicContact CB-CG2 4.46Å; V17-T69 HydrophobicContact CG1-CG2 4Å; V17-T69 HydrophobicContact CG2-CG2 4.04Å; I56-T69 CarbonylContact C-O 3.3Å; I56-T69 VanDerWaalsContact CA-O 3.31Å; I56-T69 WeakPolarHBondContact CA-O 3.49Å; T57-T69 PolarHBondContact N-O 3.35Å; T57-T69 PolarHBondContact O-N 3.29Å; I67-T69 HydrophobicContact CG2-CG2 4.32Å
70G97.7Very high98.2Very high33 Ų3349.2 Ų49.234%0.3426%0.259SS..EExtended strand (participates in β ladder)trans104.9-8.9171.600000115.5N15 R55N15-G70 WeakPolarHBondContact OD1-CA 3.32Å; N15-G70 PolarHBondContact OD1-N 3.06Å; R55-G70 CarbonylContact O-C 3.53Å; R55-G70 VanDerWaalsContact O-C 3.29Å
71A98Very high98.2Very high1 Ų149.1 Ų49.11%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-68.4150.2172.800000110.9N15 V16 I56 E76 A77N15-A71 CarbonylContact C-O 3.57Å; N15-A71 WeakPolarHBondContact CA-O 3.28Å; V16-A71 HydrophobicContact CB-CB 4.39Å; V16-A71 PolarHBondContact N-O 2.76Å; I56-A71 HydrophobicContact CD1-CB 3.93Å; I56-A71 HydrophobicContact CG1-CB 4.11Å; A71-E76 HydrophobicContact CB-CB 4.1Å; A71-A77 HydrophobicContact CB-CB 3.75Å
72T96.9Very high98.2Very high71 Ų7153.3 Ų53.344%0.43627%0.274SS..SBendtrans-104.91.5178.954.40000113I13 E76I13-T72 VanDerWaalsContact CB-O 3.29Å; I13-T72 WeakPolarHBondContact CB-O 3.31Å; I13-T72 WeakPolarHBondContact CG2-O 3.43Å; T72-E76 PolarHBondContact N-OE2 3.31Å; T72-E76 PolarHBondContact OG1-OE2 3.21Å
73S97.9Very high98.3Very high38 Ų3855.7 Ų55.727%0.26628%0.275SS..SBendtrans-145.9161.617078.30000111.4E75 E76 A77S73-E75 VanDerWaalsContact C-N 3.29Å; S73-E75 PolarHBondContact O-N 2.95Å; S73-E76 PolarHBondContact O-N 2.82Å; S73-E76 WeakPolarHBondContact OG-CB 3.26Å; S73-E76 WeakPolarHBondContact OG-CG 3.39Å; S73-E76 PolarHBondContact OG-N 3.35Å; S73-A77 WeakPolarHBondContact O-CB 3.46Å; S73-A77 PolarHBondContact O-N 2.95Å
74E98.3Very high98.3Very high67 Ų6752.3 Ų52.331%0.31325%0.251SS..Hα-helixtrans-66.5-34177-60.8-171.8168.800112.1V16 A77 K78 V102 N163 V164V16-E74 HydrophobicContact CG1-CG 4.37Å; E74-A77 PolarHBondContact O-N 3.39Å; E74-K78 PolarHBondContact O-N 2.97Å; E74-V102 HydrophobicContact CB-CG2 4.2Å; E74-V102 HydrophobicContact CG-CG2 4.03Å; E74-N163 VanDerWaalsContact OE1-CA 3.26Å; E74-N163 WeakPolarHBondContact OE1-CA 3.33Å; E74-N163 WeakPolarHBondContact OE1-CB 3.27Å; E74-V164 HydrophobicContact CG-CB 4.45Å; E74-V164 HydrophobicContact CG-CG2 3.68Å; E74-V164 PolarHBondContact OE1-N 3.32Å
75E98.1Very high98.3Very high163 Ų16352.5 Ų52.576%0.76225%0.253SS*.Hα-helixtrans-65.9-47.8176-62.7-173.9170.400111.3S73 A77 K78 F79S73-E75 VanDerWaalsContact C-N 3.29Å; S73-E75 PolarHBondContact O-N 2.95Å; E75-A77 VanDerWaalsContact C-N 3.3Å; E75-A77 PolarHBondContact O-N 3.5Å; E75-K78 PolarHBondContact O-N 3.01Å; E75-F79 WeakPolarHBondContact O-CB 3.46Å; E75-F79 PolarHBondContact O-N 3.17Å
76E98Very high98.3Very high76 Ų7655.4 Ų55.436%0.35526%0.262SS..Hα-helixtrans-60.8-41.3174.5-77.7-165.3163.500111.5P54 A71 T72 S73 K78 F79 G80P54-E76 HydrophobicContact CB-CB 4.25Å; P54-E76 HydrophobicContact CB-CG 4.4Å; P54-E76 HydrophobicContact CG-CB 4.3Å; A71-E76 HydrophobicContact CB-CB 4.1Å; T72-E76 PolarHBondContact N-OE2 3.31Å; T72-E76 PolarHBondContact OG1-OE2 3.21Å; S73-E76 PolarHBondContact O-N 2.82Å; S73-E76 WeakPolarHBondContact OG-CB 3.26Å; S73-E76 WeakPolarHBondContact OG-CG 3.39Å; S73-E76 PolarHBondContact OG-N 3.35Å; E76-K78 VanDerWaalsContact C-N 3.34Å; E76-K78 PolarHBondContact O-N 2.82Å; E76-F79 PolarHBondContact O-N 2.92Å; E76-G80 PolarHBondContact O-N 2.85Å
77A98.6Very high98.2Very high0 Ų057.6 Ų57.60%028%0.277CS..Hα-helixtrans-59.7-44.9177.100000111.2V16 C18 A71 S73 E74 E75 A81V16-A77 HydrophobicContact CB-CB 4.17Å; V16-A77 HydrophobicContact CG1-CB 3.7Å; C18-A77 HydrophobicContact CB-CB 4.37Å; A71-A77 HydrophobicContact CB-CB 3.75Å; S73-A77 WeakPolarHBondContact O-CB 3.46Å; S73-A77 PolarHBondContact O-N 2.95Å; E74-A77 PolarHBondContact O-N 3.39Å; E75-A77 VanDerWaalsContact C-N 3.3Å; E75-A77 PolarHBondContact O-N 3.5Å; A77-A81 WeakPolarHBondContact O-CB 3.35Å; A77-A81 PolarHBondContact O-N 3.26Å
78K98.5Very high98.2Very high105 Ų10555.6 Ų55.646%0.45727%0.267SS..Hα-helixtrans-67.5-45.2177.5-169.8174.6-176.7178.70112.1E74 E75 E76 A81 R82 F100E74-K78 PolarHBondContact O-N 2.97Å; E75-K78 PolarHBondContact O-N 3.01Å; E76-K78 VanDerWaalsContact C-N 3.34Å; E76-K78 PolarHBondContact O-N 2.82Å; K78-A81 PolarHBondContact O-N 2.96Å; K78-R82 WeakPolarHBondContact O-CG 3.5Å; K78-R82 PolarHBondContact O-N 2.96Å; K78-F100 VanDerWaalsContact CA-CZ 3.44Å; K78-F100 HydrophobicContact CB-CE1 3.85Å; K78-F100 HydrophobicContact CB-CE2 4.11Å; K78-F100 HydrophobicContact CB-CZ 3.47Å; K78-F100 VanDerWaalsContact CB-CZ 3.47Å; K78-F100 HydrophobicContact CD-CD1 4.37Å; K78-F100 HydrophobicContact CD-CE1 3.98Å; K78-F100 HydrophobicContact CD-CZ 4.46Å; K78-F100 HydrophobicContact CG-CD1 4.2Å; K78-F100 HydrophobicContact CG-CE1 3.75Å; K78-F100 HydrophobicContact CG-CE2 4.23Å; K78-F100 HydrophobicContact CG-CZ 3.77Å
79F98.4Very high98.2Very high116 Ų11659 Ų5951%0.50928%0.283SS..Hα-helixtrans-61.1-49178.1174.8-107.1000111.4P54 E75 E76 R82 R83P54-F79 HydrophobicContact CG-CD1 4.34Å; E75-F79 WeakPolarHBondContact O-CB 3.46Å; E75-F79 PolarHBondContact O-N 3.17Å; E76-F79 PolarHBondContact O-N 2.92Å; F79-R82 PolarHBondContact O-N 3.04Å; F79-R83 HydrophobicContact CE1-CG 4.25Å; F79-R83 HydrophobicContact CE2-CG 4.45Å; F79-R83 HydrophobicContact CZ-CG 4.17Å; F79-R83 WeakPolarHBondContact O-CG 3.34Å; F79-R83 PolarHBondContact O-N 2.89Å
80G98.5Very high98.2Very high0 Ų064.6 Ų64.60%030%0.304CS..Hα-helixtrans-66.8-36.5178.300000113.3E76 R82 R83 L84E76-G80 PolarHBondContact O-N 2.85Å; G80-R82 PolarHBondContact O-N 3.01Å; G80-R83 WeakPolarHBondContact O-CB 3.31Å; G80-R83 PolarHBondContact O-N 2.8Å; G80-L84 WeakPolarHBondContact O-CD1 3.38Å; G80-L84 WeakPolarHBondContact O-CG 3.27Å; G80-L84 PolarHBondContact O-N 3.02Å
81A98.7Very high98.2Very high0 Ų064.2 Ų64.20%029%0.294CS..Hα-helixtrans-60-42.9171.500000112.3F20 A77 K78 L84 A85 F97 F100F20-A81 HydrophobicContact CD1-CB 3.88Å; F20-A81 HydrophobicContact CE1-CB 3.94Å; A77-A81 WeakPolarHBondContact O-CB 3.35Å; A77-A81 PolarHBondContact O-N 3.26Å; K78-A81 PolarHBondContact O-N 2.96Å; A81-L84 PolarHBondContact O-N 3.41Å; A81-A85 PolarHBondContact O-N 2.87Å; A81-F97 HydrophobicContact CB-CE2 3.9Å; A81-F97 HydrophobicContact CB-CZ 4.16Å; A81-F100 HydrophobicContact CB-CD2 4.14Å; A81-F100 HydrophobicContact CB-CE2 3.85Å
82R98.4Very high98.2Very high156 Ų15666.9 Ų66.959%0.58932%0.321SS*.Hα-helixtrans-64-40.1174.5-72.117364.5124.4-1.5112.2K78 F79 G80 L84 A85 R86 F97K78-R82 WeakPolarHBondContact O-CG 3.5Å; K78-R82 PolarHBondContact O-N 2.96Å; F79-R82 PolarHBondContact O-N 3.04Å; G80-R82 PolarHBondContact O-N 3.01Å; R82-L84 VanDerWaalsContact C-N 3.34Å; R82-A85 PolarHBondContact O-N 3.28Å; R82-R86 PolarHBondContact O-N 3.47Å; R82-F97 HydrophobicContact CG-CD1 4.47Å; R82-F97 HydrophobicContact CG-CD2 4.45Å; R82-F97 HydrophobicContact CG-CE1 4.09Å; R82-F97 HydrophobicContact CG-CE2 4.06Å; R82-F97 HydrophobicContact CG-CZ 3.85Å
83R98.2Very high98.3Very high101 Ų10164.5 Ų64.538%0.38131%0.305SS..Hα-helixtrans-61.6-42.6174.7-73.8-16962.91647.3111.9L51 K53 F79 G80 R86 S87L51-R83 HydrophobicContact CD1-CB 4.45Å; L51-R83 HydrophobicContact CD2-CB 3.92Å; K53-R83 VanDerWaalsContact O-CZ 3.31Å; K53-R83 PolarHBondContact O-NH1 2.97Å; F79-R83 HydrophobicContact CE1-CG 4.25Å; F79-R83 HydrophobicContact CE2-CG 4.45Å; F79-R83 HydrophobicContact CZ-CG 4.17Å; F79-R83 WeakPolarHBondContact O-CG 3.34Å; F79-R83 PolarHBondContact O-N 2.89Å; G80-R83 WeakPolarHBondContact O-CB 3.31Å; G80-R83 PolarHBondContact O-N 2.8Å; R83-R86 PolarHBondContact O-N 3.26Å; R83-S87 PolarHBondContact O-N 3.23Å; R83-S87 PolarHBondContact O-OG 2.98Å
84L98.3Very high98.3Very high2 Ų270.7 Ų70.71%0.0133%0.329CS..Hα-helixtrans-62.8-43.9176-73.6159.4000111.7M49 L51 I56 A58 C68 G80 A81 R82 R86 S87 L88M49-L84 HydrophobicContact CB-CD2 4.47Å; M49-L84 HydrophobicContact CG-CD2 4.06Å; M49-L84 HydrophobicContact SD-CD2 3.79Å; L51-L84 HydrophobicContact CB-CD2 4.28Å; L51-L84 HydrophobicContact CD2-CG 4.45Å; I56-L84 HydrophobicContact CG2-CD1 3.85Å; A58-L84 HydrophobicContact CB-CD1 3.56Å; A58-L84 HydrophobicContact CB-CD2 3.69Å; A58-L84 HydrophobicContact CB-CG 4.17Å; C68-L84 VanDerWaalsContact SG-CD1 3.54Å; G80-L84 WeakPolarHBondContact O-CD1 3.38Å; G80-L84 WeakPolarHBondContact O-CG 3.27Å; G80-L84 PolarHBondContact O-N 3.02Å; A81-L84 PolarHBondContact O-N 3.41Å; R82-L84 VanDerWaalsContact C-N 3.34Å; L84-R86 VanDerWaalsContact C-N 3.29Å; L84-R86 PolarHBondContact O-N 3.02Å; L84-S87 WeakPolarHBondContact O-CB 3.32Å; L84-S87 PolarHBondContact O-N 2.9Å; L84-L88 PolarHBondContact O-N 3.01Å; L84-L88 VanDerWaalsContact O-N 3.07Å
85A98.4Very high98.3Very high5 Ų567.9 Ų67.94%0.04132%0.316CS..Hα-helixtrans-57.5-43172.800000111.6F20 A81 R82 S87 L88 Q89 V95 F97F20-A85 HydrophobicContact CE2-CB 3.9Å; F20-A85 HydrophobicContact CZ-CB 4.17Å; A81-A85 PolarHBondContact O-N 2.87Å; R82-A85 PolarHBondContact O-N 3.28Å; A85-S87 PolarHBondContact O-N 2.79Å; A85-L88 PolarHBondContact O-N 2.96Å; A85-Q89 WeakPolarHBondContact O-CG 3.49Å; A85-Q89 PolarHBondContact O-N 3.23Å; A85-V95 HydrophobicContact CB-CG1 3.97Å; A85-F97 HydrophobicContact CB-CB 4.49Å; A85-F97 HydrophobicContact CB-CD2 3.79Å
86R98Very high98.3Very high140 Ų14065.1 Ų65.153%0.52831%0.306SS..Hα-helixtrans-65.4-37.9176-174.457.3-178.9174.44.1112.8R82 R83 L84 L88 Q89 K90R82-R86 PolarHBondContact O-N 3.47Å; R83-R86 PolarHBondContact O-N 3.26Å; L84-R86 VanDerWaalsContact C-N 3.29Å; L84-R86 PolarHBondContact O-N 3.02Å; R86-L88 VanDerWaalsContact C-N 3.29Å; R86-L88 PolarHBondContact O-N 3.31Å; R86-Q89 WeakPolarHBondContact O-CB 3.38Å; R86-Q89 PolarHBondContact O-N 2.78Å; R86-K90 WeakPolarHBondContact O-CG 3.24Å; R86-K90 PolarHBondContact O-N 3.43Å
87S97.7Very high98.3Very high47 Ų4764.5 Ų64.533%0.32930%0.302SS..Hα-helixtrans-59.8-40.9174.3-63.70000111.5R83 L84 A85 K90 L91R83-S87 PolarHBondContact O-N 3.23Å; R83-S87 PolarHBondContact O-OG 2.98Å; L84-S87 WeakPolarHBondContact O-CB 3.32Å; L84-S87 PolarHBondContact O-N 2.9Å; A85-S87 PolarHBondContact O-N 2.79Å; S87-K90 PolarHBondContact O-N 2.82Å; S87-L91 PolarHBondContact O-N 3.36Å
88L98.4Very high98.3Very high1 Ų166 Ų661%0.00531%0.311CS..Hα-helixtrans-67.7-39.1175.1-67.4173.1000112.3T22 L26 I31 M49 I60 I66 L84 A85 R86 K90 L91 F93 V95T22-L88 HydrophobicContact CG2-CD1 4.19Å; L26-L88 HydrophobicContact CD1-CD1 4.1Å; L26-L88 HydrophobicContact CD2-CD1 4.49Å; I31-L88 HydrophobicContact CD1-CD2 3.65Å; I31-L88 HydrophobicContact CG1-CD2 4.01Å; I31-L88 HydrophobicContact CG2-CD2 4.47Å; M49-L88 HydrophobicContact CE-CD2 4.24Å; I60-L88 HydrophobicContact CD1-CD2 4.36Å; I66-L88 HydrophobicContact CD1-CD1 3.34Å; L84-L88 PolarHBondContact O-N 3.01Å; L84-L88 VanDerWaalsContact O-N 3.07Å; A85-L88 PolarHBondContact O-N 2.96Å; R86-L88 VanDerWaalsContact C-N 3.29Å; R86-L88 PolarHBondContact O-N 3.31Å; L88-K90 VanDerWaalsContact C-N 3.26Å; L88-K90 PolarHBondContact O-N 2.63Å; L88-L91 HydrophobicContact CD2-CD1 4.37Å; L88-L91 WeakPolarHBondContact O-CB 3.21Å; L88-L91 PolarHBondContact O-N 3.27Å; L88-F93 HydrophobicContact CB-CD2 4.4Å; L88-F93 HydrophobicContact CD2-CD2 4.38Å; L88-F93 WeakPolarHBondContact O-CD2 3.45Å; L88-F93 PolarHBondContact O-N 2.99Å; L88-V95 HydrophobicContact CB-CG2 3.75Å
89Q98.3Very high98.3Very high73 Ų7364.9 Ų64.934%0.34131%0.31SS..Hα-helixtrans-58.5-39.7172.8-68.6176.7-27.600112.1A85 R86 L91 G92 F93 V95A85-Q89 WeakPolarHBondContact O-CG 3.49Å; A85-Q89 PolarHBondContact O-N 3.23Å; R86-Q89 WeakPolarHBondContact O-CB 3.38Å; R86-Q89 PolarHBondContact O-N 2.78Å; Q89-L91 PolarHBondContact O-N 3.41Å; Q89-G92 WeakPolarHBondContact O-CA 3.48Å; Q89-G92 PolarHBondContact O-N 2.78Å; Q89-F93 WeakPolarHBondContact CA-O 3.38Å; Q89-V95 HydrophobicContact CG-CB 3.7Å; Q89-V95 HydrophobicContact CG-CG2 4.23Å; Q89-V95 PolarHBondContact NE2-O 2.82Å
90K98.1Very high98.3Very high162 Ų16261.9 Ų61.970%0.70430%0.297SS*.Hα-helixtrans-65.4-22.2176.7-71.3-178.1176.2-169.20113.5R86 S87 L88 G92R86-K90 WeakPolarHBondContact O-CG 3.24Å; R86-K90 PolarHBondContact O-N 3.43Å; S87-K90 PolarHBondContact O-N 2.82Å; L88-K90 VanDerWaalsContact C-N 3.26Å; L88-K90 PolarHBondContact O-N 2.63Å; K90-G92 PolarHBondContact O-N 2.88Å
91L98.1Very high98.3Very high25 Ų2567.8 Ų67.813%0.13132%0.323CS..THydrogen-bonded Turntrans-83.37.3170.7-62174.2000112.7K30 I31 E34 S87 L88 Q89 F93K30-L91 VanDerWaalsContact CE-O 3.31Å; K30-L91 WeakPolarHBondContact CE-O 3.48Å; K30-L91 PolarHBondContact NZ-O 3.34Å; I31-L91 HydrophobicContact CG1-CD1 4.27Å; I31-L91 HydrophobicContact CG2-CD1 4.37Å; E34-L91 HydrophobicContact CB-CD2 3.85Å; S87-L91 PolarHBondContact O-N 3.36Å; L88-L91 HydrophobicContact CD2-CD1 4.37Å; L88-L91 WeakPolarHBondContact O-CB 3.21Å; L88-L91 PolarHBondContact O-N 3.27Å; Q89-L91 PolarHBondContact O-N 3.41Å; L91-F93 HydrophobicContact CB-CD2 3.85Å; L91-F93 HydrophobicContact CB-CE2 3.81Å; L91-F93 HydrophobicContact CD1-CE2 4.39Å
92G98.2Very high98.3Very high56 Ų5669.3 Ų69.358%0.57733%0.332SS*.THydrogen-bonded Turntrans84.612.6177.300000115.1Q89 K90Q89-G92 WeakPolarHBondContact O-CA 3.48Å; Q89-G92 PolarHBondContact O-N 2.78Å; K90-G92 PolarHBondContact O-N 2.88Å
93F98.5Very high98.3Very high22 Ų2264.8 Ų64.810%0.09632%0.322CS..  trans-81.5135.4173.4-63.2-74.3000111.1L26 N27 K30 I31 L88 Q89 L91 V95L26-F93 HydrophobicContact CD2-CB 4.05Å; L26-F93 HydrophobicContact CD2-CD1 3.77Å; L26-F93 HydrophobicContact CD2-CD2 4.22Å; L26-F93 HydrophobicContact CD2-CE1 4.3Å; L26-F93 HydrophobicContact CD2-CG 3.74Å; N27-F93 HydrophobicContact CB-CE1 4.09Å; N27-F93 HydrophobicContact CB-CZ 4.2Å; K30-F93 HydrophobicContact CB-CZ 4.22Å; K30-F93 HydrophobicContact CD-CE2 4.43Å; K30-F93 HydrophobicContact CD-CZ 3.96Å; K30-F93 HydrophobicContact CG-CZ 4.37Å; I31-F93 HydrophobicContact CD1-CE2 4.01Å; I31-F93 HydrophobicContact CD1-CZ 4.16Å; I31-F93 HydrophobicContact CG1-CD2 4.47Å; I31-F93 HydrophobicContact CG1-CE2 3.46Å; I31-F93 VanDerWaalsContact CG1-CE2 3.46Å; I31-F93 HydrophobicContact CG1-CZ 3.73Å; L88-F93 HydrophobicContact CB-CD2 4.4Å; L88-F93 HydrophobicContact CD2-CD2 4.38Å; L88-F93 WeakPolarHBondContact O-CD2 3.45Å; L88-F93 PolarHBondContact O-N 2.99Å; Q89-F93 WeakPolarHBondContact CA-O 3.38Å; L91-F93 HydrophobicContact CB-CD2 3.85Å; L91-F93 HydrophobicContact CB-CE2 3.81Å; L91-F93 HydrophobicContact CD1-CE2 4.39Å; F93-V95 HydrophobicContact CB-CG2 3.8Å; F93-V95 PolarHBondContact O-N 3.48Å
94Q98.1Very high98.3Very high167 Ų16762.5 Ų62.578%0.7832%0.317SS*.  trans-76.768.4174.7-61.6-63-10.100110.8C24C24-Q94 WeakPolarHBondContact CB-O 3.48Å; C24-Q94 PolarHBondContact SG-O 3.17Å
95V98.6Very high98.3Very high8 Ų862.4 Ų62.45%0.04832%0.317CS..  trans-80.4124.7-175.9175.30000110.8T22 A85 L88 Q89 F93T22-V95 HydrophobicContact CG2-CG1 3.78Å; T22-V95 HydrophobicContact CG2-CG2 4.16Å; A85-V95 HydrophobicContact CB-CG1 3.97Å; L88-V95 HydrophobicContact CB-CG2 3.75Å; Q89-V95 HydrophobicContact CG-CB 3.7Å; Q89-V95 HydrophobicContact CG-CG2 4.23Å; Q89-V95 PolarHBondContact NE2-O 2.82Å; F93-V95 HydrophobicContact CB-CG2 3.8Å; F93-V95 PolarHBondContact O-N 3.48Å
96I98.3Very high98.3Very high106 Ų10664.4 Ų64.454%0.54433%0.326SS..  trans-107116.4164.2-48178.4000107.7T22 R23 T98T22-I96 CarbonylContact C-O 3.55Å; T22-I96 VanDerWaalsContact C-O 3.23Å; T22-I96 VanDerWaalsContact CA-O 3.31Å; T22-I96 WeakPolarHBondContact CA-O 3.48Å; T22-I96 PolarHBondContact O-N 3Å; R23-I96 HydrophobicContact CB-CB 4.12Å; R23-I96 HydrophobicContact CB-CD1 4.33Å; R23-I96 HydrophobicContact CB-CG1 4.44Å; R23-I96 HydrophobicContact CG-CB 4.29Å; I96-T98 HydrophobicContact CB-CG2 4.3Å; I96-T98 HydrophobicContact CG2-CG2 3.61Å; I96-T98 PolarHBondContact O-N 2.75Å
97F98.4Very high98.4Very high62 Ų6257.8 Ų57.827%0.27230%0.302SS..  trans-74.4106.3178.3-176.2-91.7000110.1F20 A81 R82 A85 F100F20-F97 HydrophobicContact CB-CD2 4.36Å; F20-F97 HydrophobicContact CB-CE2 3.93Å; F20-F97 HydrophobicContact CB-CZ 4.29Å; F20-F97 AromaticContact CD1-CE2 4Å; F20-F97 HydrophobicContact CD1-CE2 4Å; F20-F97 AromaticContact CD2-CD2 3.54Å; F20-F97 HydrophobicContact CD2-CD2 3.54Å; F20-F97 AromaticContact CD2-CE2 3.72Å; F20-F97 HydrophobicContact CD2-CE2 3.72Å; F20-F97 HydrophobicContact CD2-CG 4.5Å; F20-F97 HydrophobicContact CE1-CE2 4.4Å; F20-F97 AromaticContact CE2-CD2 3.87Å; F20-F97 HydrophobicContact CE2-CD2 3.87Å; F20-F97 HydrophobicContact CE2-CE2 4.16Å; F20-F97 AromaticContact CG-CD2 3.95Å; F20-F97 HydrophobicContact CG-CD2 3.95Å; F20-F97 AromaticContact CG-CE2 3.62Å; F20-F97 HydrophobicContact CG-CE2 3.62Å; F20-F97 HydrophobicContact CG-CZ 4.42Å; F20-F97 HydrophobicContact CZ-CE2 4.47Å; A81-F97 HydrophobicContact CB-CE2 3.9Å; A81-F97 HydrophobicContact CB-CZ 4.16Å; R82-F97 HydrophobicContact CG-CD1 4.47Å; R82-F97 HydrophobicContact CG-CD2 4.45Å; R82-F97 HydrophobicContact CG-CE1 4.09Å; R82-F97 HydrophobicContact CG-CE2 4.06Å; R82-F97 HydrophobicContact CG-CZ 3.85Å; A85-F97 HydrophobicContact CB-CB 4.49Å; A85-F97 HydrophobicContact CB-CD2 3.79Å; F97-F100 HydrophobicContact CE1-CB 3.56Å; F97-F100 HydrophobicContact CE1-CD2 4.17Å; F97-F100 AromaticContact CE1-CG 4Å; F97-F100 HydrophobicContact CE1-CG 4Å; F97-F100 HydrophobicContact CE2-CD2 4.31Å; F97-F100 HydrophobicContact CZ-CB 3.69Å; F97-F100 AromaticContact CZ-CD2 3.45Å; F97-F100 HydrophobicContact CZ-CD2 3.45Å; F97-F100 VanDerWaalsContact CZ-CD2 3.45Å; F97-F100 HydrophobicContact CZ-CE2 4.34Å; F97-F100 AromaticContact CZ-CG 3.76Å; F97-F100 HydrophobicContact CZ-CG 3.76Å
98T98.3Very high98.4Very high32 Ų3257.6 Ų57.620%0.19630%0.298CS..EExtended strand (participates in β ladder)trans-137.3167.9-175.958.70000111.6R21 R23 I96 F100R21-T98 PolarHBondContact N-O 2.92Å; R21-T98 PolarHBondContact O-N 3.19Å; R21-T98 PolarHBondContact O-OG1 3.41Å; R23-T98 HydrophobicContact CG-CG2 3.96Å; R23-T98 VanDerWaalsContact CG-OG1 3.27Å; R23-T98 WeakPolarHBondContact CG-OG1 3.4Å; R23-T98 PolarHBondContact NE-OG1 2.97Å; I96-T98 HydrophobicContact CB-CG2 4.3Å; I96-T98 HydrophobicContact CG2-CG2 3.61Å; I96-T98 PolarHBondContact O-N 2.75Å; T98-F100 PolarHBondContact O-N 2.98Å
99D98Very high98.3Very high81 Ų8157.6 Ų57.643%0.43330%0.299SS..EExtended strand (participates in β ladder)trans5430.8173.1-50-30000113.3R21 R23 K101R21-D99 HydrophobicContact CB-CB 4.43Å; R21-D99 WeakPolarHBondContact CD-OD2 3.41Å; R21-D99 HydrophobicContact CG-CB 4.29Å; R23-D99 IonicContact CZ-OD2 3.38Å; R23-D99 IonicContact NE-OD2 3.36Å; R23-D99 IonicContact NH2-OD1 3.62Å; R23-D99 PolarHBondContact NH2-OD1 3.32Å; R23-D99 IonicContact NH2-OD2 2.67Å; R23-D99 PolarHBondContact NH2-OD2 3.43Å; D99-K101 PolarHBondContact O-N 3.47Å
100F98.7Very high98.3Very high53 Ų5359.1 Ų59.123%0.23231%0.309CS..EExtended strand (participates in β ladder)trans-66.4128.5177.2175.2-91.4000110.1C18 V19 F20 K78 A81 F97 T98C18-F100 HydrophobicContact CB-CE2 3.8Å; C18-F100 HydrophobicContact CB-CZ 3.99Å; V19-F100 CarbonylContact O-C 3.44Å; V19-F100 VanDerWaalsContact O-CA 3.27Å; V19-F100 WeakPolarHBondContact O-CA 3.26Å; F20-F100 HydrophobicContact CB-CB 4.26Å; F20-F100 HydrophobicContact CB-CD2 4.3Å; K78-F100 VanDerWaalsContact CA-CZ 3.44Å; K78-F100 HydrophobicContact CB-CE1 3.85Å; K78-F100 HydrophobicContact CB-CE2 4.11Å; K78-F100 HydrophobicContact CB-CZ 3.47Å; K78-F100 VanDerWaalsContact CB-CZ 3.47Å; K78-F100 HydrophobicContact CD-CD1 4.37Å; K78-F100 HydrophobicContact CD-CE1 3.98Å; K78-F100 HydrophobicContact CD-CZ 4.46Å; K78-F100 HydrophobicContact CG-CD1 4.2Å; K78-F100 HydrophobicContact CG-CE1 3.75Å; K78-F100 HydrophobicContact CG-CE2 4.23Å; K78-F100 HydrophobicContact CG-CZ 3.77Å; A81-F100 HydrophobicContact CB-CD2 4.14Å; A81-F100 HydrophobicContact CB-CE2 3.85Å; F97-F100 HydrophobicContact CE1-CB 3.56Å; F97-F100 HydrophobicContact CE1-CD2 4.17Å; F97-F100 AromaticContact CE1-CG 4Å; F97-F100 HydrophobicContact CE1-CG 4Å; F97-F100 HydrophobicContact CE2-CD2 4.31Å; F97-F100 HydrophobicContact CZ-CB 3.69Å; F97-F100 AromaticContact CZ-CD2 3.45Å; F97-F100 HydrophobicContact CZ-CD2 3.45Å; F97-F100 VanDerWaalsContact CZ-CD2 3.45Å; F97-F100 HydrophobicContact CZ-CE2 4.34Å; F97-F100 AromaticContact CZ-CG 3.76Å; F97-F100 HydrophobicContact CZ-CG 3.76Å; T98-F100 PolarHBondContact O-N 2.98Å
101K98.5Very high98.1Very high124 Ų12451.8 Ų51.854%0.53928%0.277SS..EExtended strand (participates in β ladder)trans-153.3144.7172.260.9-177.3-179179.70111.7C18 V19 D99 V103C18-K101 CarbonylContact C-O 3.58Å; C18-K101 VanDerWaalsContact CA-O 3.24Å; C18-K101 WeakPolarHBondContact CA-O 3.43Å; C18-K101 WeakPolarHBondContact CB-O 3.47Å; V19-K101 HydrophobicContact CG1-CD 4.11Å; V19-K101 HydrophobicContact CG1-CG 3.41Å; V19-K101 VanDerWaalsContact CG1-CG 3.41Å; V19-K101 PolarHBondContact N-O 3.38Å; V19-K101 PolarHBondContact O-N 3.48Å; D99-K101 PolarHBondContact O-N 3.47Å; K101-V103 HydrophobicContact CD-CG1 4.17Å; K101-V103 HydrophobicContact CG-CG1 3.85Å
102V98.7Very high97.9Very high33 Ų3355.2 Ų55.220%0.230%0.301CS..EExtended strand (participates in β ladder)trans-72136.3161179.50000107.5V16 C18 E74 V105V16-V102 HydrophobicContact CG1-CG1 3.87Å; V16-V102 HydrophobicContact CG1-CG2 4.19Å; C18-V102 HydrophobicContact CB-CG2 4.45Å; E74-V102 HydrophobicContact CB-CG2 4.2Å; E74-V102 HydrophobicContact CG-CG2 4.03Å; V102-V105 HydrophobicContact CG1-CG2 3.81Å
103V98.1Very high97.8Very high60 Ų6054 Ų5436%0.36428%0.28SS..EExtended strand (participates in β ladder)trans-120.6-24.7-177-63.70000113V17 V19 K101V17-V103 HydrophobicContact CB-CG2 3.96Å; V17-V103 HydrophobicContact CG1-CG2 3.55Å; V17-V103 WeakPolarHBondContact O-CG2 3.38Å; V17-V103 PolarHBondContact O-N 2.85Å; V19-V103 HydrophobicContact CB-CG1 4.46Å; V19-V103 HydrophobicContact CG1-CG1 3.63Å; K101-V103 HydrophobicContact CD-CG1 4.17Å; K101-V103 HydrophobicContact CG-CG1 3.85Å
104N98.5Very high97.7Very high54 Ų5457.6 Ų57.629%0.28930%0.297SS..EExtended strand (participates in β ladder)trans-157.4142.5176.9-175.778.6000109.9V17 G161V17-N104 HydrophobicContact CB-CB 4.06Å; V17-N104 HydrophobicContact CG2-CB 4.16Å; V17-N104 PolarHBondContact N-O 3.24Å; V17-N104 PolarHBondContact O-N 3.44Å; N104-G161 CarbonylContact C-O 3.23Å; N104-G161 WeakPolarHBondContact CA-O 3.27Å
105V98.8Very high97.7Very high0 Ų049.7 Ų49.70%026%0.26CS..EExtended strand (participates in β ladder)trans-125.1135.9170.1177.40000107.4I13 N15 V16 V102 T160 G161 V164 V167I13-V105 HydrophobicContact CD1-CG1 4.03Å; I13-V105 HydrophobicContact CG2-CG1 3.93Å; N15-V105 WeakPolarHBondContact O-CA 3.36Å; V16-V105 HydrophobicContact CG1-CG2 4.26Å; V16-V105 HydrophobicContact CG2-CG1 4.38Å; V16-V105 HydrophobicContact CG2-CG2 4.19Å; V102-V105 HydrophobicContact CG1-CG2 3.81Å; V105-T160 VanDerWaalsContact O-CA 3.26Å; V105-T160 WeakPolarHBondContact O-CA 3.43Å; V105-G161 PolarHBondContact N-O 2.94Å; V105-G161 PolarHBondContact O-N 3.19Å; V105-V164 HydrophobicContact CG1-CG2 4.03Å; V105-V164 HydrophobicContact CG2-CG2 4.22Å; V105-V167 HydrophobicContact CB-CG2 4.08Å; V105-V167 HydrophobicContact CG1-CG2 4.08Å
106L98.7Very high97.6Very high47 Ų4754.2 Ų54.225%0.24628%0.276CS..EExtended strand (participates in β ladder)trans-114.6128.2172.5176.969.6000108.2T14 N15 T158 V159 T160T14-L106 PolarHBondContact N-O 3.22Å; T14-L106 WeakPolarHBondContact OG1-CD2 3.39Å; T14-L106 WeakPolarHBondContact OG1-CG 3.36Å; T14-L106 PolarHBondContact OG1-O 3.24Å; N15-L106 HydrophobicContact CB-CB 4.21Å; N15-L106 PolarHBondContact N-O 3.17Å; N15-L106 PolarHBondContact O-N 3.06Å; L106-T158 HydrophobicContact CD1-CG2 3.35Å; L106-T158 HydrophobicContact CG-CG2 4.48Å; L106-V159 WeakPolarHBondContact CA-O 3.33Å; L106-T160 HydrophobicContact CB-CG2 4.49Å; L106-T160 HydrophobicContact CD1-CG2 3.47Å; L106-T160 VanDerWaalsContact CD1-CG2 3.47Å
107A98.5Very high97.6Very high1 Ų149.3 Ų49.31%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-131.5161.8173.300000111.3I11 L12 I13 T158 V159 V167I11-A107 HydrophobicContact CG2-CB 3.89Å; L12-A107 CarbonylContact O-C 3.53Å; L12-A107 WeakPolarHBondContact O-CA 3.42Å; L12-A107 WeakPolarHBondContact O-CB 3.26Å; I13-A107 HydrophobicContact CD1-CB 3.65Å; A107-T158 WeakPolarHBondContact O-CA 3.34Å; A107-V159 PolarHBondContact N-O 2.79Å; A107-V159 PolarHBondContact O-N 3.29Å; A107-V167 HydrophobicContact CB-CG1 3.44Å; A107-V167 VanDerWaalsContact CB-CG1 3.44Å
108V98.2Very high97.6Very high42 Ų4250.7 Ų50.726%0.25527%0.266SS..EExtended strand (participates in β ladder)trans-129.6144.8171.9-59.70000109.2L12 T14 I157 T158L12-V108 HydrophobicContact CB-CG2 3.96Å; L12-V108 HydrophobicContact CD2-CG2 4.13Å; L12-V108 HydrophobicContact CG-CG2 4.36Å; L12-V108 PolarHBondContact N-O 3.29Å; L12-V108 PolarHBondContact O-N 2.93Å; T14-V108 HydrophobicContact CG2-CB 4.48Å; T14-V108 HydrophobicContact CG2-CG1 4.09Å; T14-V108 HydrophobicContact CG2-CG2 3.72Å; V108-I157 CarbonylContact C-O 3.58Å; V108-I157 VanDerWaalsContact CA-O 3.28Å; V108-I157 WeakPolarHBondContact CA-O 3.38Å; V108-T158 HydrophobicContact CG1-CG2 4.42Å
109C97.1Very high97.5Very high2 Ų252.7 Ų52.71%0.01427%0.274CS..EExtended strand (participates in β ladder)trans-139.6159.6166.760.20000108.9L9 D10 I11 I157L9-C109 HydrophobicContact CD2-CB 4.25Å; L9-C109 HydrophobicContact CG-CB 4.3Å; D10-C109 VanDerWaalsContact O-CB 3.27Å; D10-C109 WeakPolarHBondContact O-CB 3.37Å; I11-C109 HydrophobicContact CG1-CB 4.36Å; C109-I157 PolarHBondContact N-O 2.75Å; C109-I157 PolarHBondContact O-N 3.16Å
110N96.9Very high97.5Very high104 Ų10448.9 Ų48.956%0.55625%0.253SS*.EExtended strand (participates in β ladder)trans-125.3122.8178.5-65-54.8000108.9L9 S156L9-N110 VanDerWaalsContact CD1-O 3.27Å; L9-N110 WeakPolarHBondContact CD1-O 3.44Å; N110-S156 WeakPolarHBondContact OD1-CA 3.45Å; N110-S156 WeakPolarHBondContact OD1-CB 3.47Å; N110-S156 PolarHBondContact OD1-OG 3.46Å
111M95Very high97.5Very high9 Ų946.6 Ų46.64%0.04424%0.243CC..  trans-72.3145.4169.6-59.7-59.7157.600109.4L9 F113 I115 G155 I157 Y175 V178L9-M111 HydrophobicContact CD1-CE 4.14Å; L9-M111 HydrophobicContact CD1-SD 3.79Å; L9-M111 HydrophobicContact CD2-CE 3.53Å; L9-M111 HydrophobicContact CD2-SD 4.15Å; M111-F113 HydrophobicContact CB-CD2 4.12Å; M111-F113 HydrophobicContact CB-CE1 4.25Å; M111-F113 HydrophobicContact CB-CE2 3.85Å; M111-F113 HydrophobicContact CB-CG 4.45Å; M111-F113 HydrophobicContact CB-CZ 3.91Å; M111-F113 HydrophobicContact CG-CE2 4.18Å; M111-F113 HydrophobicContact CG-CZ 4.16Å; M111-F113 PolarHBondContact O-N 3.22Å; M111-F113 VanDerWaalsContact O-N 3.08Å; M111-F113 HydrophobicContact SD-CZ 4.24Å; M111-I115 HydrophobicContact CG-CD1 4.38Å; M111-G155 WeakPolarHBondContact CG-O 3.45Å; M111-G155 PolarHBondContact N-O 2.97Å; M111-I157 HydrophobicContact CE-CD1 3.51Å; M111-I157 HydrophobicContact CG-CD1 4.08Å; M111-Y175 HydrophobicContact CE-CD2 4.06Å; M111-Y175 HydrophobicContact SD-CD2 3.69Å; M111-Y175 HydrophobicContact SD-CE2 3.87Å; M111-V178 HydrophobicContact CE-CG2 4.1Å; M111-V178 HydrophobicContact CG-CG2 4.19Å; M111-V178 HydrophobicContact SD-CG2 4.11Å
112P93.5Very high97.5Very high96 Ų9648.3 Ų48.362%0.62325%0.251SS*.SBendtrans-74.27.5178.330.7-34000113.4V7V7-P112 HydrophobicContact CG1-CG 4.29Å
113F95.4Very high97.4Very high31 Ų3151.1 Ų51.114%0.13627%0.265CS..SBendtrans-140.6154.6-175.749.3-100.9000111.2M111 I115 G155 V178 F179 R182M111-F113 HydrophobicContact CB-CD2 4.12Å; M111-F113 HydrophobicContact CB-CE1 4.25Å; M111-F113 HydrophobicContact CB-CE2 3.85Å; M111-F113 HydrophobicContact CB-CG 4.45Å; M111-F113 HydrophobicContact CB-CZ 3.91Å; M111-F113 HydrophobicContact CG-CE2 4.18Å; M111-F113 HydrophobicContact CG-CZ 4.16Å; M111-F113 PolarHBondContact O-N 3.22Å; M111-F113 VanDerWaalsContact O-N 3.08Å; M111-F113 HydrophobicContact SD-CZ 4.24Å; F113-I115 HydrophobicContact CD2-CG1 4.22Å; F113-I115 HydrophobicContact CE2-CG1 4.21Å; F113-G155 WeakPolarHBondContact O-CA 3.37Å; F113-V178 HydrophobicContact CE2-CG2 4.4Å; F113-V178 HydrophobicContact CZ-CG2 4.38Å; F113-F179 HydrophobicContact CD1-CD2 4.47Å; F113-F179 AromaticContact CE1-CD2 3.7Å; F113-F179 HydrophobicContact CE1-CD2 3.7Å; F113-F179 HydrophobicContact CE1-CE2 4.42Å; F113-F179 HydrophobicContact CZ-CB 4.1Å; F113-F179 AromaticContact CZ-CD2 3.91Å; F113-F179 HydrophobicContact CZ-CD2 3.91Å; F113-R182 HydrophobicContact CB-CB 4.25Å; F113-R182 HydrophobicContact CD2-CB 3.47Å; F113-R182 VanDerWaalsContact CD2-CB 3.47Å; F113-R182 HydrophobicContact CE2-CB 3.97Å; F113-R182 HydrophobicContact CG-CB 3.89Å
114E97.4Very high97.4Very high97 Ų9749 Ų4945%0.45325%0.252SS..  trans-75.3153.2171.2-66.4-169.3-179.900111.6S153 R182 K183E114-S153 CarbonylContact C-O 3.56Å; E114-S153 VanDerWaalsContact CA-O 3.24Å; E114-S153 WeakPolarHBondContact CA-O 3.42Å; E114-S153 VanDerWaalsContact CB-O 3.29Å; E114-S153 WeakPolarHBondContact CB-O 3.44Å; E114-R182 CarbonylContact O-C 3.51Å; E114-R182 VanDerWaalsContact O-CA 3.28Å; E114-R182 WeakPolarHBondContact O-CA 3.34Å; E114-K183 HydrophobicContact CB-CB 4.17Å; E114-K183 HydrophobicContact CB-CD 3.78Å; E114-K183 HydrophobicContact CB-CG 4.02Å; E114-K183 PolarHBondContact O-N 3.22Å; E114-K183 VanDerWaalsContact OE2-CD 3.27Å; E114-K183 WeakPolarHBondContact OE2-CD 3.24Å; E114-K183 WeakPolarHBondContact OE2-CE 3.42Å; E114-K183 IonicContact OE2-NZ 2.88Å; E114-K183 PolarHBondContact OE2-NZ 2.96Å
115I97.7Very high97.4Very high1 Ų155 Ų551%0.00527%0.27CS..BIsolated β-bridgetrans-119.3132.3-174.7-55.2167.4000110.3M111 F113 L117 F120 I151 S153 V178M111-I115 HydrophobicContact CG-CD1 4.38Å; F113-I115 HydrophobicContact CD2-CG1 4.22Å; F113-I115 HydrophobicContact CE2-CG1 4.21Å; I115-L117 HydrophobicContact CB-CD2 4.18Å; I115-L117 HydrophobicContact CG2-CD2 4.02Å; I115-L117 PolarHBondContact O-N 3.03Å; I115-L117 VanDerWaalsContact O-N 3.1Å; I115-F120 HydrophobicContact CG2-CB 4.3Å; I115-I151 HydrophobicContact CD1-CG2 3.54Å; I115-S153 PolarHBondContact N-O 3.45Å; I115-V178 HydrophobicContact CD1-CB 3.85Å; I115-V178 HydrophobicContact CD1-CG1 4Å; I115-V178 HydrophobicContact CG1-CB 4.4Å
116R97.8Very high97.2Very high103 Ų10360.8 Ų60.839%0.38931%0.308SS..  trans-7886.2171.8-64.3178.2-179.2165.25.7110.1E119 F120 S181 K183R116-E119 HydrophobicContact CB-CB 3.98Å; R116-E119 WeakPolarHBondContact CD-OE2 3.32Å; R116-E119 IonicContact NH1-OE2 3.69Å; R116-E119 PolarHBondContact NH1-OE2 3.12Å; R116-E119 PolarHBondContact O-N 2.88Å; R116-E119 VanDerWaalsContact O-N 3.15Å; R116-F120 PolarHBondContact O-N 2.91Å; R116-S181 WeakPolarHBondContact CB-O 3.5Å; R116-S181 PolarHBondContact N-O 3.43Å; R116-K183 HydrophobicContact CG-CG 3.71Å
117L98.1Very high97.2Very high3 Ų362.4 Ų62.42%0.01631%0.314CS..Hα-helixtrans-54.7-41.5-174.7-58.9-170.8000115.5I115 T121 Y130 P136 V138 I151I115-L117 HydrophobicContact CB-CD2 4.18Å; I115-L117 HydrophobicContact CG2-CD2 4.02Å; I115-L117 PolarHBondContact O-N 3.03Å; I115-L117 VanDerWaalsContact O-N 3.1Å; L117-T121 WeakPolarHBondContact O-CB 3.19Å; L117-T121 PolarHBondContact O-N 2.96Å; L117-T121 PolarHBondContact O-OG1 3.2Å; L117-Y130 HydrophobicContact CB-CD1 4.26Å; L117-Y130 HydrophobicContact CB-CE1 3.88Å; L117-Y130 HydrophobicContact CB-CE2 4.42Å; L117-Y130 HydrophobicContact CD1-CE2 3.84Å; L117-P136 VanDerWaalsContact CD1-O 3.29Å; L117-P136 WeakPolarHBondContact CD1-O 3.18Å; L117-V138 HydrophobicContact CB-CG2 3.63Å; L117-V138 HydrophobicContact CD1-CG2 4.14Å; L117-V138 HydrophobicContact CD2-CG2 3.77Å; L117-V138 HydrophobicContact CG-CG2 4.03Å; L117-I151 HydrophobicContact CD2-CG2 4.16Å
118P97.1Very high97.2Very high91 Ų9162.6 Ų62.659%0.59132%0.315SS*.Hα-helixtrans-63.9-40.9177.1-23.435.1000113T121 K122 Y130P118-T121 PolarHBondContact O-N 3.38Å; P118-K122 WeakPolarHBondContact O-CB 3.26Å; P118-K122 PolarHBondContact O-N 3.28Å; P118-Y130 HydrophobicContact CG-CE1 4.24Å
119E97.5Very high97.2Very high75 Ų7563 Ų6335%0.3532%0.32SS..Hα-helixtrans-67.4-49.9178-179.6170.9-166.800110.8R116 T121 K122 N123R116-E119 HydrophobicContact CB-CB 3.98Å; R116-E119 WeakPolarHBondContact CD-OE2 3.32Å; R116-E119 IonicContact NH1-OE2 3.69Å; R116-E119 PolarHBondContact NH1-OE2 3.12Å; R116-E119 PolarHBondContact O-N 2.88Å; R116-E119 VanDerWaalsContact O-N 3.15Å; E119-T121 VanDerWaalsContact C-N 3.27Å; E119-T121 PolarHBondContact O-N 2.83Å; E119-K122 PolarHBondContact O-N 3.3Å; E119-K122 VanDerWaalsContact O-N 3.16Å; E119-N123 PolarHBondContact O-N 3.01Å
120F98.3Very high97.2Very high0 Ų065.6 Ų65.60%033%0.33CS..Hα-helixtrans-52.2-48.5173.1176.9-90.8000111I115 R116 K122 N123 N124 A128 V138 Y140 I151 I174 F177 V178 S181I115-F120 HydrophobicContact CG2-CB 4.3Å; R116-F120 PolarHBondContact O-N 2.91Å; F120-K122 PolarHBondContact O-N 3.39Å; F120-N123 PolarHBondContact O-N 2.8Å; F120-N124 VanDerWaalsContact O-CB 3.24Å; F120-N124 WeakPolarHBondContact O-CB 3.24Å; F120-N124 PolarHBondContact O-N 3.39Å; F120-N124 VanDerWaalsContact O-N 3.15Å; F120-N124 PolarHBondContact O-ND2 3.18Å; F120-A128 HydrophobicContact CE1-CB 4.2Å; F120-V138 HydrophobicContact CD1-CB 4.34Å; F120-V138 HydrophobicContact CD1-CG1 3.87Å; F120-V138 HydrophobicContact CD1-CG2 4.28Å; F120-V138 HydrophobicContact CE1-CB 4.47Å; F120-V138 HydrophobicContact CE1-CG1 3.83Å; F120-Y140 AromaticContact CE1-CD2 3.79Å; F120-Y140 HydrophobicContact CE1-CD2 3.79Å; F120-Y140 AromaticContact CZ-CD2 3.63Å; F120-Y140 HydrophobicContact CZ-CD2 3.63Å; F120-Y140 HydrophobicContact CZ-CE2 4.15Å; F120-Y140 HydrophobicContact CZ-CG 4.42Å; F120-I151 HydrophobicContact CD1-CD1 4.46Å; F120-I151 HydrophobicContact CE1-CD1 3.55Å; F120-I151 HydrophobicContact CE2-CD1 4.14Å; F120-I151 HydrophobicContact CZ-CD1 3.34Å; F120-I174 HydrophobicContact CE2-CG1 4.28Å; F120-I174 HydrophobicContact CZ-CD1 4.05Å; F120-I174 HydrophobicContact CZ-CG1 4.02Å; F120-F177 HydrophobicContact CD2-CB 4.44Å; F120-F177 HydrophobicContact CE2-CB 3.77Å; F120-V178 HydrophobicContact CD2-CG1 4.07Å; F120-V178 HydrophobicContact CE2-CG1 3.58Å; F120-V178 HydrophobicContact CZ-CG1 4.25Å; F120-S181 WeakPolarHBondContact CA-OG 3.28Å
121T98.2Very high97.2Very high5 Ų566.6 Ų66.63%0.03133%0.332CS..Hα-helixtrans-62.9-45.5-179.2-57.80000111.6L117 P118 E119 N123 N124 R125 A128 Y130 V138L117-T121 WeakPolarHBondContact O-CB 3.19Å; L117-T121 PolarHBondContact O-N 2.96Å; L117-T121 PolarHBondContact O-OG1 3.2Å; P118-T121 PolarHBondContact O-N 3.38Å; E119-T121 VanDerWaalsContact C-N 3.27Å; E119-T121 PolarHBondContact O-N 2.83Å; T121-N123 VanDerWaalsContact C-N 3.34Å; T121-N123 PolarHBondContact O-N 2.91Å; T121-N124 PolarHBondContact O-N 2.93Å; T121-R125 WeakPolarHBondContact O-CG 3.44Å; T121-R125 PolarHBondContact O-N 2.85Å; T121-A128 HydrophobicContact CG2-CB 4.2Å; T121-Y130 VanDerWaalsContact OG1-CB 3.24Å; T121-Y130 WeakPolarHBondContact OG1-CB 3.31Å; T121-V138 WeakPolarHBondContact OG1-CG2 3.35Å
122K97.7Very high97.2Very high161 Ų16169.4 Ų69.470%0.735%0.35SS*.Hα-helixtrans-58.5-45.9179.6-176.1-173.2178.4-171.30111.5P118 E119 F120 N124P118-K122 WeakPolarHBondContact O-CB 3.26Å; P118-K122 PolarHBondContact O-N 3.28Å; E119-K122 PolarHBondContact O-N 3.3Å; E119-K122 VanDerWaalsContact O-N 3.16Å; F120-K122 PolarHBondContact O-N 3.39Å; K122-N124 VanDerWaalsContact C-N 3.27Å; K122-N124 PolarHBondContact O-N 2.83Å
123N97.7Very high97.3Very high91 Ų9173.6 Ų73.649%0.48736%0.361SS..Hα-helixtrans-73-20.6-176.6-64.4-10.7000112.9E119 F120 T121E119-N123 PolarHBondContact O-N 3.01Å; F120-N123 PolarHBondContact O-N 2.8Å; T121-N123 VanDerWaalsContact C-N 3.34Å; T121-N123 PolarHBondContact O-N 2.91Å
124N97.8Very high97.3Very high17 Ų1779.2 Ų79.29%0.09139%0.392CS..THydrogen-bonded Turntrans-114.115.6-171.4-72.5-79.4000114.4F120 T121 K122 H127 A128 Y140F120-N124 VanDerWaalsContact O-CB 3.24Å; F120-N124 WeakPolarHBondContact O-CB 3.24Å; F120-N124 PolarHBondContact O-N 3.39Å; F120-N124 VanDerWaalsContact O-N 3.15Å; F120-N124 PolarHBondContact O-ND2 3.18Å; T121-N124 PolarHBondContact O-N 2.93Å; K122-N124 VanDerWaalsContact C-N 3.27Å; K122-N124 PolarHBondContact O-N 2.83Å; N124-H127 WeakPolarHBondContact O-CA 3.33Å; N124-H127 WeakPolarHBondContact O-CB 3.34Å; N124-H127 PolarHBondContact O-N 2.91Å; N124-A128 HydrophobicContact CB-CB 3.73Å; N124-A128 PolarHBondContact O-N 2.8Å; N124-Y140 HydrophobicContact CB-CD2 4.17Å; N124-Y140 HydrophobicContact CB-CE2 3.7Å
125R97.1Very high97.3Very high178 Ų17878.7 Ų78.767%0.67239%0.389SS*.THydrogen-bonded Turntrans-66.4147170.4-72.7-169175.3161.2-2.6110.6T121T121-R125 WeakPolarHBondContact O-CG 3.44Å; T121-R125 PolarHBondContact O-N 2.85Å
126P96.2Very high97.2Very high122 Ų12282.2 Ų82.279%0.79241%0.413SS*.THydrogen-bonded Turncis-89.711.10.836.9-36.3000113.9
127H97.8Very high97.3Very high82 Ų8277.5 Ų77.538%0.3840%0.396SS..THydrogen-bonded Turntrans-77.3-30.7-177.1-61.3-73000112.9N124 Y140 R141N124-H127 WeakPolarHBondContact O-CA 3.33Å; N124-H127 WeakPolarHBondContact O-CB 3.34Å; N124-H127 PolarHBondContact O-N 2.91Å; H127-Y140 HydrophobicContact CB-CD2 4.32Å; H127-Y140 HydrophobicContact CB-CE1 4.02Å; H127-Y140 HydrophobicContact CB-CE2 3.85Å; H127-Y140 WeakPolarHBondContact O-CA 3.49Å; H127-R141 PolarHBondContact O-N 2.88Å
128A98.2Very high97.3Very high5 Ų577.4 Ų77.44%0.04140%0.395CS..EExtended strand (participates in β ladder)trans-98.1140.6176.700000112.6F120 T121 N124 V138 C139 Y140F120-A128 HydrophobicContact CE1-CB 4.2Å; T121-A128 HydrophobicContact CG2-CB 4.2Å; N124-A128 HydrophobicContact CB-CB 3.73Å; N124-A128 PolarHBondContact O-N 2.8Å; A128-V138 HydrophobicContact CB-CG1 3.95Å; A128-C139 CarbonylContact C-O 3.51Å; A128-C139 WeakPolarHBondContact CA-O 3.47Å; A128-Y140 HydrophobicContact CB-CD2 3.9Å
129S97.9Very high97.3Very high51 Ų5173.8 Ų73.836%0.35737%0.372SS..EExtended strand (participates in β ladder)trans-138.9135.6173.849.80000109.6C139S129-C139 PolarHBondContact N-O 2.87Å; S129-C139 PolarHBondContact O-N 2.86Å; S129-C139 PolarHBondContact OG-O 3.36Å
130Y98.2Very high97.4Very high55 Ų5571.1 Ų71.122%0.21636%0.359CS..  trans-145.8118.4-176.7-177.1-131.8000110.1L117 P118 T121 P132 V138L117-Y130 HydrophobicContact CB-CD1 4.26Å; L117-Y130 HydrophobicContact CB-CE1 3.88Å; L117-Y130 HydrophobicContact CB-CE2 4.42Å; L117-Y130 HydrophobicContact CD1-CE2 3.84Å; P118-Y130 HydrophobicContact CG-CE1 4.24Å; T121-Y130 VanDerWaalsContact OG1-CB 3.24Å; T121-Y130 WeakPolarHBondContact OG1-CB 3.31Å; Y130-P132 HydrophobicContact CE1-CB 4.14Å; Y130-P132 HydrophobicContact CE1-CG 4.07Å; Y130-P132 HydrophobicContact CE2-CB 4.12Å; Y130-V138 HydrophobicContact CD2-CG2 3.86Å; Y130-V138 HydrophobicContact CE2-CG2 4.5Å; Y130-V138 HydrophobicContact CG-CG2 3.86Å
131E95.7Very high97.4Very high126 Ų12677.2 Ų77.259%0.58938%0.382SS*.  trans-130.483.7178.8-62.3-62164.800106.9E133 L134 H135E131-E133 PolarHBondContact O-N 2.83Å; E131-E133 VanDerWaalsContact O-N 3.17Å; E131-L134 HydrophobicContact CB-CB 4.19Å; E131-L134 HydrophobicContact CB-CD1 3.96Å; E131-L134 HydrophobicContact CB-CG 4.16Å; E131-L134 HydrophobicContact CG-CD1 4.44Å; E131-L134 WeakPolarHBondContact O-CA 3.29Å; E131-L134 WeakPolarHBondContact O-CB 3.45Å; E131-L134 PolarHBondContact O-N 2.91Å; E131-H135 PolarHBondContact O-N 2.92Å
132P95.6Very high97.4Very high67 Ų6777.6 Ų77.644%0.43538%0.384SS..THydrogen-bonded Turntrans-58.5-30.9-169.318.1-30.3000114Y130 L134Y130-P132 HydrophobicContact CE1-CB 4.14Å; Y130-P132 HydrophobicContact CE1-CG 4.07Å; Y130-P132 HydrophobicContact CE2-CB 4.12Å; P132-L134 PolarHBondContact O-N 2.83Å
133E96.2Very high97.4Very high184 Ų18478.4 Ų78.486%0.8639%0.387SS*.THydrogen-bonded Turntrans-65.4-20.4175.3-57.4-57151.500112.8E131E131-E133 PolarHBondContact O-N 2.83Å; E131-E133 VanDerWaalsContact O-N 3.17Å
134L96.3Very high97.3Very high150 Ų15079 Ų7979%0.78540%0.398SS*.THydrogen-bonded Turntrans-103.2-39.4179-59.6-179.2000112.5E131 P132E131-L134 HydrophobicContact CB-CB 4.19Å; E131-L134 HydrophobicContact CB-CD1 3.96Å; E131-L134 HydrophobicContact CB-CG 4.16Å; E131-L134 HydrophobicContact CG-CD1 4.44Å; E131-L134 WeakPolarHBondContact O-CA 3.29Å; E131-L134 WeakPolarHBondContact O-CB 3.45Å; E131-L134 PolarHBondContact O-N 2.91Å; P132-L134 PolarHBondContact O-N 2.83Å
135H95.7Very high97.3Very high85 Ų8579.8 Ų79.839%0.39440%0.402SS..  trans-156.5135.1-178.5-165.158.2000111.6E131 A137 Q150E131-H135 PolarHBondContact O-N 2.92Å; H135-A137 VanDerWaalsContact C-N 3.25Å; H135-A137 PolarHBondContact O-N 2.96Å; H135-Q150 PolarHBondContact CD2-OE1 3.04Å
136P97.2Very high97.4Very high76 Ų7680.5 Ų80.549%0.49441%0.405SS..SBendtrans-72.2-9.9-176.128.3-38000115.2L117 F152L117-P136 VanDerWaalsContact CD1-O 3.29Å; L117-P136 WeakPolarHBondContact CD1-O 3.18Å; P136-F152 HydrophobicContact CG-CE1 4.17Å
137A98.2Very high97.5Very high4 Ų474.7 Ų74.73%0.03337%0.368CS..SBendtrans-102.7148.1179.700000112.9H135 Q150 I151 F152H135-A137 VanDerWaalsContact C-N 3.25Å; H135-A137 PolarHBondContact O-N 2.96Å; A137-Q150 HydrophobicContact CB-CB 4.02Å; A137-I151 CarbonylContact C-O 3.59Å; A137-I151 VanDerWaalsContact CA-O 3.28Å; A137-I151 WeakPolarHBondContact CA-O 3.29Å; A137-I151 WeakPolarHBondContact CB-O 3.38Å; A137-F152 HydrophobicContact CB-CD1 3.87Å; A137-F152 HydrophobicContact CB-CD2 4.06Å; A137-F152 HydrophobicContact CB-CE1 3.69Å; A137-F152 HydrophobicContact CB-CE2 3.88Å; A137-F152 HydrophobicContact CB-CG 4.06Å; A137-F152 HydrophobicContact CB-CZ 3.69Å
138V98.4Very high97.5Very high0 Ų072.7 Ų72.70%036%0.361CS..EExtended strand (participates in β ladder)trans-73.5129.3165.5-178.60000108.8L117 F120 T121 A128 Y130 Q150 I151L117-V138 HydrophobicContact CB-CG2 3.63Å; L117-V138 HydrophobicContact CD1-CG2 4.14Å; L117-V138 HydrophobicContact CD2-CG2 3.77Å; L117-V138 HydrophobicContact CG-CG2 4.03Å; F120-V138 HydrophobicContact CD1-CB 4.34Å; F120-V138 HydrophobicContact CD1-CG1 3.87Å; F120-V138 HydrophobicContact CD1-CG2 4.28Å; F120-V138 HydrophobicContact CE1-CB 4.47Å; F120-V138 HydrophobicContact CE1-CG1 3.83Å; T121-V138 WeakPolarHBondContact OG1-CG2 3.35Å; A128-V138 HydrophobicContact CB-CG1 3.95Å; Y130-V138 HydrophobicContact CD2-CG2 3.86Å; Y130-V138 HydrophobicContact CE2-CG2 4.5Å; Y130-V138 HydrophobicContact CG-CG2 3.86Å; V138-Q150 CarbonylContact O-C 3.52Å; V138-Q150 WeakPolarHBondContact O-CA 3.28Å; V138-I151 HydrophobicContact CB-CB 4.34Å; V138-I151 PolarHBondContact N-O 2.87Å; V138-I151 PolarHBondContact O-N 2.9Å
139C98.5Very high97.6Very high16 Ų1672.5 Ų72.511%0.10836%0.359CS..EExtended strand (participates in β ladder)trans-92112.4170-177.90000109.6A128 S129 L149 Q150A128-C139 CarbonylContact C-O 3.51Å; A128-C139 WeakPolarHBondContact CA-O 3.47Å; S129-C139 PolarHBondContact N-O 2.87Å; S129-C139 PolarHBondContact O-N 2.86Å; S129-C139 PolarHBondContact OG-O 3.36Å; C139-L149 WeakPolarHBondContact CA-O 3.37Å; C139-Q150 PolarHBondContact SG-NE2 2.81Å
140Y98.5Very high97.6Very high19 Ų1972.2 Ų72.28%0.07535%0.352CS..EExtended strand (participates in β ladder)trans-111.1130.6175.9-169.9-73.6000110.6F120 N124 H127 A128 I142 T148 L149 I174F120-Y140 AromaticContact CE1-CD2 3.79Å; F120-Y140 HydrophobicContact CE1-CD2 3.79Å; F120-Y140 AromaticContact CZ-CD2 3.63Å; F120-Y140 HydrophobicContact CZ-CD2 3.63Å; F120-Y140 HydrophobicContact CZ-CE2 4.15Å; F120-Y140 HydrophobicContact CZ-CG 4.42Å; N124-Y140 HydrophobicContact CB-CD2 4.17Å; N124-Y140 HydrophobicContact CB-CE2 3.7Å; H127-Y140 HydrophobicContact CB-CD2 4.32Å; H127-Y140 HydrophobicContact CB-CE1 4.02Å; H127-Y140 HydrophobicContact CB-CE2 3.85Å; H127-Y140 WeakPolarHBondContact O-CA 3.49Å; A128-Y140 HydrophobicContact CB-CD2 3.9Å; Y140-I142 HydrophobicContact CD1-CG1 3.94Å; Y140-I142 HydrophobicContact CE1-CD1 4.38Å; Y140-I142 HydrophobicContact CE1-CG1 3.59Å; Y140-T148 WeakPolarHBondContact O-CA 3.19Å; Y140-L149 HydrophobicContact CD1-CD1 4.17Å; Y140-L149 PolarHBondContact N-O 3.4Å; Y140-L149 PolarHBondContact O-N 2.94Å; Y140-I174 HydrophobicContact CD1-CD1 3.48Å; Y140-I174 VanDerWaalsContact CD1-CD1 3.48Å; Y140-I174 HydrophobicContact CD2-CD1 3.61Å; Y140-I174 HydrophobicContact CE1-CD1 3.42Å; Y140-I174 VanDerWaalsContact CE1-CD1 3.42Å; Y140-I174 HydrophobicContact CE2-CD1 3.5Å; Y140-I174 HydrophobicContact CG-CD1 3.6Å; Y140-I174 VanDerWaalsContact CZ-CD1 3.43Å
141R98.4Very high97.6Very high128 Ų12869.6 Ų69.648%0.48334%0.342SS..EExtended strand (participates in β ladder)trans-118.9122.3-177.1-65-175.5-17990.8-4113H127 T148H127-R141 PolarHBondContact O-N 2.88Å; R141-T148 HydrophobicContact CG-CG2 4.15Å
142I98Very high97.7Very high13 Ų1366.2 Ų66.27%0.06733%0.326CS..EExtended strand (participates in β ladder)trans-100.796.8172.7-55.3166.7000108.5Y140 S144 L145 R146 A147 L149 A170 Q173Y140-I142 HydrophobicContact CD1-CG1 3.94Å; Y140-I142 HydrophobicContact CE1-CD1 4.38Å; Y140-I142 HydrophobicContact CE1-CG1 3.59Å; I142-S144 WeakPolarHBondContact CG2-OG 3.28Å; I142-S144 PolarHBondContact O-N 3.12Å; I142-L145 HydrophobicContact CB-CB 4.35Å; I142-L145 HydrophobicContact CD1-CD1 4.26Å; I142-L145 HydrophobicContact CG2-CB 3.9Å; I142-L145 HydrophobicContact CG2-CD1 3.89Å; I142-L145 HydrophobicContact CG2-CG 3.76Å; I142-L145 PolarHBondContact O-N 3.27Å; I142-R146 PolarHBondContact O-N 3.45Å; I142-A147 PolarHBondContact N-O 3.24Å; I142-A147 PolarHBondContact O-N 3.33Å; I142-A147 VanDerWaalsContact O-N 3.12Å; I142-L149 HydrophobicContact CD1-CD1 3.76Å; I142-L149 HydrophobicContact CG1-CD1 4.14Å; I142-A170 HydrophobicContact CD1-CB 3.67Å; I142-Q173 HydrophobicContact CD1-CB 4.33Å
143K97.1Very high97.8Very high178 Ų17865.7 Ų65.777%0.77432%0.323SS*.THydrogen-bonded Turntrans-60.3-41.9-175.4-69.9-177.6179.8176.30112.8L145 R146K143-L145 VanDerWaalsContact C-N 3.3Å; K143-L145 PolarHBondContact O-N 3.4Å; K143-R146 PolarHBondContact O-N 2.95Å; K143-R146 VanDerWaalsContact O-N 3.12Å
144S97.4Very high97.9Very high103 Ų10361 Ų6172%0.7231%0.307SS*.THydrogen-bonded Turntrans-61.3-36.1-179.150.70000113I142I142-S144 WeakPolarHBondContact CG2-OG 3.28Å; I142-S144 PolarHBondContact O-N 3.12Å
145L97.7Very high97.9Very high34 Ų3453.9 Ų53.918%0.17827%0.27CS..THydrogen-bonded Turntrans-90.8-8.2177.5-61.4-179.2000113.2I142 K143 A147 P162 T169 A170I142-L145 HydrophobicContact CB-CB 4.35Å; I142-L145 HydrophobicContact CD1-CD1 4.26Å; I142-L145 HydrophobicContact CG2-CB 3.9Å; I142-L145 HydrophobicContact CG2-CD1 3.89Å; I142-L145 HydrophobicContact CG2-CG 3.76Å; I142-L145 PolarHBondContact O-N 3.27Å; K143-L145 VanDerWaalsContact C-N 3.3Å; K143-L145 PolarHBondContact O-N 3.4Å; L145-A147 HydrophobicContact CB-CB 3.97Å; L145-A147 PolarHBondContact O-N 3.28Å; L145-P162 VanDerWaalsContact O-CD 3.26Å; L145-P162 WeakPolarHBondContact O-CD 3.43Å; L145-T169 HydrophobicContact CD1-CG2 3.88Å; L145-T169 HydrophobicContact CD2-CG2 4.24Å; L145-A170 HydrophobicContact CD1-CB 3.99Å
146R98.3Very high98Very high192 Ų19251.8 Ų51.873%0.72527%0.265SS*.THydrogen-bonded Turntrans51.438-167.8-59.6168.554.7-162.9-5.4111.6I142 K143 P162I142-R146 PolarHBondContact O-N 3.45Å; K143-R146 PolarHBondContact O-N 2.95Å; K143-R146 VanDerWaalsContact O-N 3.12Å; R146-P162 HydrophobicContact CB-CG 4.44Å
147A98.5Very high98.1Very high1 Ų148.2 Ų48.21%0.00824%0.242CC..EExtended strand (participates in β ladder)trans-107.4145.3-177.600000111.2I142 L145 T160 A170I142-A147 PolarHBondContact N-O 3.24Å; I142-A147 PolarHBondContact O-N 3.33Å; I142-A147 VanDerWaalsContact O-N 3.12Å; L145-A147 HydrophobicContact CB-CB 3.97Å; L145-A147 PolarHBondContact O-N 3.28Å; A147-T160 CarbonylContact C-O 3.5Å; A147-T160 WeakPolarHBondContact CA-O 3.49Å; A147-A170 HydrophobicContact CB-CB 3.74Å
148T98.6Very high98.1Very high40 Ų4050 Ų5025%0.24525%0.252CS..EExtended strand (participates in β ladder)trans-128.4129.2174.4-58.10000109.3Y140 R141 T160Y140-T148 WeakPolarHBondContact O-CA 3.19Å; R141-T148 HydrophobicContact CG-CG2 4.15Å; T148-T160 PolarHBondContact N-O 3.09Å; T148-T160 PolarHBondContact O-N 3.15Å; T148-T160 PolarHBondContact O-OG1 3.15Å
149L98.6Very high98.1Very high0 Ų050 Ų500%025%0.252CS..EExtended strand (participates in β ladder)trans-109.9138.6178-5784.3000109.3C139 Y140 I142 I151 I157 T158 V159 A170 I174C139-L149 WeakPolarHBondContact CA-O 3.37Å; Y140-L149 HydrophobicContact CD1-CD1 4.17Å; Y140-L149 PolarHBondContact N-O 3.4Å; Y140-L149 PolarHBondContact O-N 2.94Å; I142-L149 HydrophobicContact CD1-CD1 3.76Å; I142-L149 HydrophobicContact CG1-CD1 4.14Å; L149-I151 HydrophobicContact CB-CG1 4.23Å; L149-I157 HydrophobicContact CB-CG2 4.27Å; L149-I157 HydrophobicContact CD2-CG2 4.1Å; L149-T158 CarbonylContact C-O 3.54Å; L149-T158 VanDerWaalsContact CA-O 3.31Å; L149-T158 WeakPolarHBondContact CA-O 3.22Å; L149-V159 HydrophobicContact CB-CG2 4.42Å; L149-V159 HydrophobicContact CD2-CG2 3.85Å; L149-V159 HydrophobicContact CG-CB 4.44Å; L149-V159 HydrophobicContact CG-CG1 4.08Å; L149-V159 HydrophobicContact CG-CG2 3.81Å; L149-A170 HydrophobicContact CD1-CB 4.32Å; L149-I174 HydrophobicContact CD2-CB 3.86Å; L149-I174 HydrophobicContact CD2-CG1 4.17Å; L149-I174 HydrophobicContact CD2-CG2 3.63Å
150Q98.6Very high98.1Very high46 Ų4651.3 Ų51.322%0.21526%0.26CS..EExtended strand (participates in β ladder)trans-109.9114.4165.8-60.3-59.1-64.100107.4H135 A137 V138 C139 F152 I157 T158H135-Q150 PolarHBondContact CD2-OE1 3.04Å; A137-Q150 HydrophobicContact CB-CB 4.02Å; V138-Q150 CarbonylContact O-C 3.52Å; V138-Q150 WeakPolarHBondContact O-CA 3.28Å; C139-Q150 PolarHBondContact SG-NE2 2.81Å; Q150-F152 HydrophobicContact CB-CE2 4.12Å; Q150-I157 WeakPolarHBondContact O-CA 3.21Å; Q150-T158 PolarHBondContact N-O 3.26Å; Q150-T158 PolarHBondContact O-N 2.9Å
151I98.5Very high98.1Very high0 Ų050.5 Ų50.50%026%0.258CS..EExtended strand (participates in β ladder)trans-110.9120.4-172.7-55.4171.4000108.5I115 L117 F120 A137 V138 L149 I157 I174 V178I115-I151 HydrophobicContact CD1-CG2 3.54Å; L117-I151 HydrophobicContact CD2-CG2 4.16Å; F120-I151 HydrophobicContact CD1-CD1 4.46Å; F120-I151 HydrophobicContact CE1-CD1 3.55Å; F120-I151 HydrophobicContact CE2-CD1 4.14Å; F120-I151 HydrophobicContact CZ-CD1 3.34Å; A137-I151 CarbonylContact C-O 3.59Å; A137-I151 VanDerWaalsContact CA-O 3.28Å; A137-I151 WeakPolarHBondContact CA-O 3.29Å; A137-I151 WeakPolarHBondContact CB-O 3.38Å; V138-I151 HydrophobicContact CB-CB 4.34Å; V138-I151 PolarHBondContact N-O 2.87Å; V138-I151 PolarHBondContact O-N 2.9Å; L149-I151 HydrophobicContact CB-CG1 4.23Å; I151-I157 HydrophobicContact CB-CG1 4.48Å; I151-I157 HydrophobicContact CG1-CD1 4.24Å; I151-I157 HydrophobicContact CG1-CG1 4.25Å; I151-I157 HydrophobicContact CG1-CG2 4.14Å; I151-I157 HydrophobicContact CG2-CD1 4.29Å; I151-I157 HydrophobicContact CG2-CG1 4.15Å; I151-I174 HydrophobicContact CD1-CG1 4.04Å; I151-V178 HydrophobicContact CD1-CG1 4.07Å; I151-V178 HydrophobicContact CG2-CG1 4.27Å
152F98.4Very high98.1Very high55 Ų5545.7 Ų45.724%0.24124%0.243CC..  trans-99153.2-178.9-64.5-96.6000110.8P136 A137 Q150 T154 G155 S156P136-F152 HydrophobicContact CG-CE1 4.17Å; A137-F152 HydrophobicContact CB-CD1 3.87Å; A137-F152 HydrophobicContact CB-CD2 4.06Å; A137-F152 HydrophobicContact CB-CE1 3.69Å; A137-F152 HydrophobicContact CB-CE2 3.88Å; A137-F152 HydrophobicContact CB-CG 4.06Å; A137-F152 HydrophobicContact CB-CZ 3.69Å; Q150-F152 HydrophobicContact CB-CE2 4.12Å; F152-T154 PolarHBondContact O-N 3.38Å; F152-T154 VanDerWaalsContact O-N 3.12Å; F152-G155 PolarHBondContact O-N 3.23Å; F152-S156 WeakPolarHBondContact CB-O 3.24Å; F152-S156 WeakPolarHBondContact CD2-O 3.47Å; F152-S156 PolarHBondContact N-O 2.95Å
153S97.6Very high98.1Very high55 Ų5548 Ų4839%0.38526%0.255SS..THydrogen-bonded Turntrans-61.9-22.5-179.857.20000113E114 I115 G155E114-S153 CarbonylContact C-O 3.56Å; E114-S153 VanDerWaalsContact CA-O 3.24Å; E114-S153 WeakPolarHBondContact CA-O 3.42Å; E114-S153 VanDerWaalsContact CB-O 3.29Å; E114-S153 WeakPolarHBondContact CB-O 3.44Å; I115-S153 PolarHBondContact N-O 3.45Å; S153-G155 PolarHBondContact O-N 3.27Å
154T97.3Very high98.1Very high86 Ų8641.7 Ų41.753%0.52823%0.232SC..THydrogen-bonded Turntrans-72.4-5.9176.959.80000113.9F152 S156F152-T154 PolarHBondContact O-N 3.38Å; F152-T154 VanDerWaalsContact O-N 3.12Å; T154-S156 VanDerWaalsContact C-N 3.3Å; T154-S156 PolarHBondContact OG1-N 3.06Å; T154-S156 PolarHBondContact OG1-OG 3.48Å
155G96.6Very high98.1Very high0 Ų044.7 Ų44.70%023%0.232CC..SBendtrans88.3-8.9-171.500000114M111 F113 F152 S153M111-G155 WeakPolarHBondContact CG-O 3.45Å; M111-G155 PolarHBondContact N-O 2.97Å; F113-G155 WeakPolarHBondContact O-CA 3.37Å; F152-G155 PolarHBondContact O-N 3.23Å; S153-G155 PolarHBondContact O-N 3.27Å
156S97.9Very high98.1Very high41 Ų4143.4 Ų43.429%0.28723%0.226SC..EExtended strand (participates in β ladder)trans-67.1135.2172.6-62.10000111.1N110 F152 T154N110-S156 WeakPolarHBondContact OD1-CA 3.45Å; N110-S156 WeakPolarHBondContact OD1-CB 3.47Å; N110-S156 PolarHBondContact OD1-OG 3.46Å; F152-S156 WeakPolarHBondContact CB-O 3.24Å; F152-S156 WeakPolarHBondContact CD2-O 3.47Å; F152-S156 PolarHBondContact N-O 2.95Å; T154-S156 VanDerWaalsContact C-N 3.3Å; T154-S156 PolarHBondContact OG1-N 3.06Å; T154-S156 PolarHBondContact OG1-OG 3.48Å
157I98.4Very high98.1Very high1 Ų134.2 Ų34.21%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-130.7128.5178.1-55.9-174.8000109.3V108 C109 M111 L149 Q150 I151 V159 I174 V178V108-I157 CarbonylContact C-O 3.58Å; V108-I157 VanDerWaalsContact CA-O 3.28Å; V108-I157 WeakPolarHBondContact CA-O 3.38Å; C109-I157 PolarHBondContact N-O 2.75Å; C109-I157 PolarHBondContact O-N 3.16Å; M111-I157 HydrophobicContact CE-CD1 3.51Å; M111-I157 HydrophobicContact CG-CD1 4.08Å; L149-I157 HydrophobicContact CB-CG2 4.27Å; L149-I157 HydrophobicContact CD2-CG2 4.1Å; Q150-I157 WeakPolarHBondContact O-CA 3.21Å; I151-I157 HydrophobicContact CB-CG1 4.48Å; I151-I157 HydrophobicContact CG1-CD1 4.24Å; I151-I157 HydrophobicContact CG1-CG1 4.25Å; I151-I157 HydrophobicContact CG1-CG2 4.14Å; I151-I157 HydrophobicContact CG2-CD1 4.29Å; I151-I157 HydrophobicContact CG2-CG1 4.15Å; I157-V159 HydrophobicContact CG2-CG2 3.74Å; I157-I174 HydrophobicContact CD1-CG2 4.26Å; I157-V178 HydrophobicContact CD1-CG1 4.17Å
158T98.4Very high98.1Very high41 Ų4135.5 Ų35.525%0.25220%0.202SC..EExtended strand (participates in β ladder)trans-105.2129.5169.1-61.20000109.6L106 A107 V108 L149 Q150L106-T158 HydrophobicContact CD1-CG2 3.35Å; L106-T158 HydrophobicContact CG-CG2 4.48Å; A107-T158 WeakPolarHBondContact O-CA 3.34Å; V108-T158 HydrophobicContact CG1-CG2 4.42Å; L149-T158 CarbonylContact C-O 3.54Å; L149-T158 VanDerWaalsContact CA-O 3.31Å; L149-T158 WeakPolarHBondContact CA-O 3.22Å; Q150-T158 PolarHBondContact N-O 3.26Å; Q150-T158 PolarHBondContact O-N 2.9Å
159V98.4Very high98Very high1 Ų135.2 Ų35.21%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-122.3132.7-178-1730000110.6L106 A107 L149 I157 V167 A170 V171L106-V159 WeakPolarHBondContact CA-O 3.33Å; A107-V159 PolarHBondContact N-O 2.79Å; A107-V159 PolarHBondContact O-N 3.29Å; L149-V159 HydrophobicContact CB-CG2 4.42Å; L149-V159 HydrophobicContact CD2-CG2 3.85Å; L149-V159 HydrophobicContact CG-CB 4.44Å; L149-V159 HydrophobicContact CG-CG1 4.08Å; L149-V159 HydrophobicContact CG-CG2 3.81Å; I157-V159 HydrophobicContact CG2-CG2 3.74Å; V159-V167 HydrophobicContact CB-CG1 4.03Å; V159-V167 HydrophobicContact CG1-CB 4.36Å; V159-V167 HydrophobicContact CG1-CG1 3.91Å; V159-V167 HydrophobicContact CG1-CG2 4.29Å; V159-A170 HydrophobicContact CG1-CB 4.05Å; V159-V171 HydrophobicContact CG2-CG2 3.7Å
160T98.6Very high98Very high43 Ų4335.2 Ų35.226%0.26420%0.2SC..EExtended strand (participates in β ladder)trans-117.5140170.452.70000110.5V105 L106 A147 T148V105-T160 VanDerWaalsContact O-CA 3.26Å; V105-T160 WeakPolarHBondContact O-CA 3.43Å; L106-T160 HydrophobicContact CB-CG2 4.49Å; L106-T160 HydrophobicContact CD1-CG2 3.47Å; L106-T160 VanDerWaalsContact CD1-CG2 3.47Å; A147-T160 CarbonylContact C-O 3.5Å; A147-T160 WeakPolarHBondContact CA-O 3.49Å; T148-T160 PolarHBondContact N-O 3.09Å; T148-T160 PolarHBondContact O-N 3.15Å; T148-T160 PolarHBondContact O-OG1 3.15Å
161G98.5Very high98Very high3 Ų333.1 Ų33.13%0.03119%0.191CC..EExtended strand (participates in β ladder)trans-160.8172.7179.900000112.9N104 V105 N163N104-G161 CarbonylContact C-O 3.23Å; N104-G161 WeakPolarHBondContact CA-O 3.27Å; V105-G161 PolarHBondContact N-O 2.94Å; V105-G161 PolarHBondContact O-N 3.19Å; G161-N163 VanDerWaalsContact C-N 3.32Å; G161-N163 PolarHBondContact O-N 3.1Å
162P98.1Very high97.8Very high27 Ų2739.1 Ų39.118%0.17522%0.219CC..SBendtrans-71.1-23.6-175.327.6-36000114.4L145 R146 A166L145-P162 VanDerWaalsContact O-CD 3.26Å; L145-P162 WeakPolarHBondContact O-CD 3.43Å; R146-P162 HydrophobicContact CB-CG 4.44Å; P162-A166 HydrophobicContact CG-CB 3.77Å
163N98.1Very high97.7Very high60 Ų6040.5 Ų40.532%0.32123%0.226SC..SBendtrans-159.3168.7-178.154.556.1000110E74 G161 K165 A166 V167E74-N163 VanDerWaalsContact OE1-CA 3.26Å; E74-N163 WeakPolarHBondContact OE1-CA 3.33Å; E74-N163 WeakPolarHBondContact OE1-CB 3.27Å; G161-N163 VanDerWaalsContact C-N 3.32Å; G161-N163 PolarHBondContact O-N 3.1Å; N163-K165 VanDerWaalsContact C-N 3.31Å; N163-K165 PolarHBondContact O-N 2.79Å; N163-K165 PolarHBondContact OD1-N 3.39Å; N163-A166 PolarHBondContact O-N 3.05Å; N163-A166 VanDerWaalsContact OD1-CB 3.32Å; N163-A166 WeakPolarHBondContact OD1-CB 3.29Å; N163-A166 PolarHBondContact OD1-N 2.67Å; N163-V167 PolarHBondContact O-N 3.12Å
164V97.6Very high97.7Very high47 Ų4737.9 Ų37.929%0.28521%0.208SC..Hα-helixtrans-59.8-41.2-177.8169.80000111.4I13 E74 V105 A166 V167 A168I13-V164 HydrophobicContact CD1-CG1 4.31Å; I13-V164 HydrophobicContact CD1-CG2 4.29Å; I13-V164 HydrophobicContact CG1-CG2 4.33Å; E74-V164 HydrophobicContact CG-CB 4.45Å; E74-V164 HydrophobicContact CG-CG2 3.68Å; E74-V164 PolarHBondContact OE1-N 3.32Å; V105-V164 HydrophobicContact CG1-CG2 4.03Å; V105-V164 HydrophobicContact CG2-CG2 4.22Å; V164-A166 PolarHBondContact O-N 3.08Å; V164-V167 PolarHBondContact O-N 3.4Å; V164-A168 PolarHBondContact O-N 3Å
165K97.8Very high97.7Very high165 Ų16536.8 Ų36.872%0.71719%0.194SC*.Hα-helixtrans-59.2-47.7178.4-177.3176.9-179.4175.80111.9N163 V167 A168 T169N163-K165 VanDerWaalsContact C-N 3.31Å; N163-K165 PolarHBondContact O-N 2.79Å; N163-K165 PolarHBondContact OD1-N 3.39Å; K165-V167 VanDerWaalsContact C-N 3.27Å; K165-V167 PolarHBondContact O-N 3.15Å; K165-A168 PolarHBondContact O-N 2.89Å; K165-T169 PolarHBondContact O-N 3.41Å; K165-T169 PolarHBondContact O-OG1 2.87Å; K165-T169 VanDerWaalsContact O-OG1 3.06Å
166A98.3Very high97.6Very high7 Ų739.7 Ų39.76%0.05821%0.213CC..Hα-helixtrans-63.5-34.9179.600000112.3P162 N163 V164 A170P162-A166 HydrophobicContact CG-CB 3.77Å; N163-A166 PolarHBondContact O-N 3.05Å; N163-A166 VanDerWaalsContact OD1-CB 3.32Å; N163-A166 WeakPolarHBondContact OD1-CB 3.29Å; N163-A166 PolarHBondContact OD1-N 2.67Å; V164-A166 PolarHBondContact O-N 3.08Å; A166-A170 WeakPolarHBondContact O-CB 3.24Å; A166-A170 PolarHBondContact O-N 3.06Å
167V98.2Very high97.6Very high0 Ų041.1 Ų41.10%021%0.214CC..Hα-helixtrans-68.4-45.5175169.10000111.3I11 V105 A107 V159 N163 V164 K165 A170 V171I11-V167 HydrophobicContact CG2-CG1 4.49Å; V105-V167 HydrophobicContact CB-CG2 4.08Å; V105-V167 HydrophobicContact CG1-CG2 4.08Å; A107-V167 HydrophobicContact CB-CG1 3.44Å; A107-V167 VanDerWaalsContact CB-CG1 3.44Å; V159-V167 HydrophobicContact CB-CG1 4.03Å; V159-V167 HydrophobicContact CG1-CB 4.36Å; V159-V167 HydrophobicContact CG1-CG1 3.91Å; V159-V167 HydrophobicContact CG1-CG2 4.29Å; N163-V167 PolarHBondContact O-N 3.12Å; V164-V167 PolarHBondContact O-N 3.4Å; K165-V167 VanDerWaalsContact C-N 3.27Å; K165-V167 PolarHBondContact O-N 3.15Å; V167-A170 WeakPolarHBondContact O-CB 3.32Å; V167-A170 PolarHBondContact O-N 2.91Å; V167-V171 WeakPolarHBondContact O-CG2 3.27Å; V167-V171 PolarHBondContact O-N 3.35Å; V167-V171 VanDerWaalsContact O-N 3.15Å
168A97.2Very high97.5Very high27 Ų2741.1 Ų41.122%0.22321%0.214CC..Hα-helixtrans-61-50.7177.500000111.7I11 V164 K165 A170 V171 E172I11-A168 HydrophobicContact CD1-CB 4.39Å; V164-A168 PolarHBondContact O-N 3Å; K165-A168 PolarHBondContact O-N 2.89Å; A168-A170 PolarHBondContact O-N 3.37Å; A168-V171 PolarHBondContact O-N 3.05Å; A168-V171 VanDerWaalsContact O-N 3.09Å; A168-E172 WeakPolarHBondContact O-CG 3.25Å; A168-E172 PolarHBondContact O-N 3.34Å
169T97.8Very high97.4Very high34 Ų3443 Ų4321%0.20922%0.219CC..Hα-helixtrans-61.3-32.2177.2-53.40000112.3L145 K165 Q173L145-T169 HydrophobicContact CD1-CG2 3.88Å; L145-T169 HydrophobicContact CD2-CG2 4.24Å; K165-T169 PolarHBondContact O-N 3.41Å; K165-T169 PolarHBondContact O-OG1 2.87Å; K165-T169 VanDerWaalsContact O-OG1 3.06Å; T169-Q173 HydrophobicContact CG2-CG 4.41Å; T169-Q173 WeakPolarHBondContact O-CB 3.36Å; T169-Q173 VanDerWaalsContact O-CG 3.25Å; T169-Q173 WeakPolarHBondContact O-CG 3.33Å; T169-Q173 PolarHBondContact O-N 2.95Å
170A98.3Very high97.3Very high0 Ų049.2 Ų49.20%025%0.248CC..Hα-helixtrans-67.1-37.917600000112.8I142 L145 A147 L149 V159 A166 V167 A168 I174I142-A170 HydrophobicContact CD1-CB 3.67Å; L145-A170 HydrophobicContact CD1-CB 3.99Å; A147-A170 HydrophobicContact CB-CB 3.74Å; L149-A170 HydrophobicContact CD1-CB 4.32Å; V159-A170 HydrophobicContact CG1-CB 4.05Å; A166-A170 WeakPolarHBondContact O-CB 3.24Å; A166-A170 PolarHBondContact O-N 3.06Å; V167-A170 WeakPolarHBondContact O-CB 3.32Å; V167-A170 PolarHBondContact O-N 2.91Å; A168-A170 PolarHBondContact O-N 3.37Å; A170-I174 PolarHBondContact O-N 3.04Å
171V97.3Very high97.2Very high3 Ų347.2 Ų47.22%0.01824%0.236CC..Hα-helixtrans-68.3-45.2175.3175.40000110.5L9 I11 V159 V167 A168 Q173 I174 Y175L9-V171 HydrophobicContact CD2-CG1 3.33Å; I11-V171 HydrophobicContact CD1-CB 3.8Å; I11-V171 HydrophobicContact CD1-CG1 3.87Å; I11-V171 HydrophobicContact CD1-CG2 4.06Å; I11-V171 HydrophobicContact CG1-CB 4.38Å; I11-V171 HydrophobicContact CG1-CG1 4.1Å; I11-V171 HydrophobicContact CG1-CG2 4.32Å; V159-V171 HydrophobicContact CG2-CG2 3.7Å; V167-V171 WeakPolarHBondContact O-CG2 3.27Å; V167-V171 PolarHBondContact O-N 3.35Å; V167-V171 VanDerWaalsContact O-N 3.15Å; A168-V171 PolarHBondContact O-N 3.05Å; A168-V171 VanDerWaalsContact O-N 3.09Å; V171-Q173 VanDerWaalsContact C-N 3.32Å; V171-Q173 PolarHBondContact O-N 3.1Å; V171-I174 PolarHBondContact O-N 3.42Å; V171-Y175 PolarHBondContact O-N 3.41Å; V171-Y175 VanDerWaalsContact O-N 3.1Å
172E95.9Very high97.1Very high126 Ų12651 Ų5159%0.58925%0.249SC*.Hα-helixtrans-57.8-44.3175.4-69.3166.7-174.200111.7A168 I174A168-E172 WeakPolarHBondContact O-CG 3.25Å; A168-E172 PolarHBondContact O-N 3.34Å; E172-I174 VanDerWaalsContact C-N 3.33Å; E172-I174 PolarHBondContact O-N 3.24Å
173Q96.2Very high96.8Very high83 Ų8353.9 Ų53.939%0.38826%0.259SS..Hα-helixtrans-65.6-33.1179.6-79-178.10.900113.4I142 T169 V171I142-Q173 HydrophobicContact CD1-CB 4.33Å; T169-Q173 HydrophobicContact CG2-CG 4.41Å; T169-Q173 WeakPolarHBondContact O-CB 3.36Å; T169-Q173 VanDerWaalsContact O-CG 3.25Å; T169-Q173 WeakPolarHBondContact O-CG 3.33Å; T169-Q173 PolarHBondContact O-N 2.95Å; V171-Q173 VanDerWaalsContact C-N 3.32Å; V171-Q173 PolarHBondContact O-N 3.1Å
174I96.7Very high96.1Very high1 Ų157.4 Ų57.41%0.00527%0.273CS..Hα-helixtrans-86.1-22.2-177-145.877.1000113.2F120 Y140 L149 I151 I157 A170 V171 E172 F177 V178F120-I174 HydrophobicContact CE2-CG1 4.28Å; F120-I174 HydrophobicContact CZ-CD1 4.05Å; F120-I174 HydrophobicContact CZ-CG1 4.02Å; Y140-I174 HydrophobicContact CD1-CD1 3.48Å; Y140-I174 VanDerWaalsContact CD1-CD1 3.48Å; Y140-I174 HydrophobicContact CD2-CD1 3.61Å; Y140-I174 HydrophobicContact CE1-CD1 3.42Å; Y140-I174 VanDerWaalsContact CE1-CD1 3.42Å; Y140-I174 HydrophobicContact CE2-CD1 3.5Å; Y140-I174 HydrophobicContact CG-CD1 3.6Å; Y140-I174 VanDerWaalsContact CZ-CD1 3.43Å; L149-I174 HydrophobicContact CD2-CB 3.86Å; L149-I174 HydrophobicContact CD2-CG1 4.17Å; L149-I174 HydrophobicContact CD2-CG2 3.63Å; I151-I174 HydrophobicContact CD1-CG1 4.04Å; I157-I174 HydrophobicContact CD1-CG2 4.26Å; A170-I174 PolarHBondContact O-N 3.04Å; V171-I174 PolarHBondContact O-N 3.42Å; E172-I174 VanDerWaalsContact C-N 3.33Å; E172-I174 PolarHBondContact O-N 3.24Å; I174-F177 HydrophobicContact CD1-CD2 3.9Å; I174-F177 HydrophobicContact CG1-CD2 4.5Å; I174-F177 PolarHBondContact O-N 3.25Å; I174-V178 HydrophobicContact CG1-CG1 4.16Å; I174-V178 HydrophobicContact CG2-CG1 4.32Å; I174-V178 PolarHBondContact O-N 3.41Å
175Y96.5Very high94.8Very high62 Ų6263.2 Ų63.224%0.24330%0.301CS..Hα-helixtrans-51.5-48.8-173-178.7-90.5000113.5L9 M111 V171 F177 V178 F179L9-Y175 HydrophobicContact CD2-CD2 4.48Å; M111-Y175 HydrophobicContact CE-CD2 4.06Å; M111-Y175 HydrophobicContact SD-CD2 3.69Å; M111-Y175 HydrophobicContact SD-CE2 3.87Å; V171-Y175 PolarHBondContact O-N 3.41Å; V171-Y175 VanDerWaalsContact O-N 3.1Å; Y175-F177 VanDerWaalsContact C-N 3.33Å; Y175-F177 PolarHBondContact O-N 3.34Å; Y175-V178 WeakPolarHBondContact O-CG2 3.48Å; Y175-V178 PolarHBondContact O-N 2.93Å; Y175-F179 HydrophobicContact CE1-CB 4.45Å; Y175-F179 VanDerWaalsContact O-CB 3.27Å; Y175-F179 WeakPolarHBondContact O-CB 3.49Å; Y175-F179 PolarHBondContact O-N 2.84Å
176P96Very high92.9Very high61 Ų6166.4 Ų66.440%0.39633%0.325SS..Hα-helixtrans-59.4-41.6177.9-23.234.1000112.9F179 E180P176-F179 PolarHBondContact O-N 3.04Å; P176-E180 WeakPolarHBondContact O-CG 3.27Å; P176-E180 PolarHBondContact O-N 3.36Å
177F97.4Very high92.6Very high72 Ų7269.4 Ų69.432%0.31634%0.338SS..Hα-helixtrans-69.6-37.5-177-51.9-30.7000112.4F120 I174 Y175 S181F120-F177 HydrophobicContact CD2-CB 4.44Å; F120-F177 HydrophobicContact CE2-CB 3.77Å; I174-F177 HydrophobicContact CD1-CD2 3.9Å; I174-F177 HydrophobicContact CG1-CD2 4.5Å; I174-F177 PolarHBondContact O-N 3.25Å; Y175-F177 VanDerWaalsContact C-N 3.33Å; Y175-F177 PolarHBondContact O-N 3.34Å; F177-S181 PolarHBondContact O-N 3.18Å; F177-S181 PolarHBondContact O-OG 3.28Å; F177-S181 VanDerWaalsContact O-OG 3.06Å
178V97.1Very high92.3Very high0 Ų073 Ų730%036%0.356CS..Hα-helixtrans-72.2-35.4174.2-62.50000111.5M111 F113 I115 F120 I151 I157 I174 Y175 S181 R182M111-V178 HydrophobicContact CE-CG2 4.1Å; M111-V178 HydrophobicContact CG-CG2 4.19Å; M111-V178 HydrophobicContact SD-CG2 4.11Å; F113-V178 HydrophobicContact CE2-CG2 4.4Å; F113-V178 HydrophobicContact CZ-CG2 4.38Å; I115-V178 HydrophobicContact CD1-CB 3.85Å; I115-V178 HydrophobicContact CD1-CG1 4Å; I115-V178 HydrophobicContact CG1-CB 4.4Å; F120-V178 HydrophobicContact CD2-CG1 4.07Å; F120-V178 HydrophobicContact CE2-CG1 3.58Å; F120-V178 HydrophobicContact CZ-CG1 4.25Å; I151-V178 HydrophobicContact CD1-CG1 4.07Å; I151-V178 HydrophobicContact CG2-CG1 4.27Å; I157-V178 HydrophobicContact CD1-CG1 4.17Å; I174-V178 HydrophobicContact CG1-CG1 4.16Å; I174-V178 HydrophobicContact CG2-CG1 4.32Å; I174-V178 PolarHBondContact O-N 3.41Å; Y175-V178 WeakPolarHBondContact O-CG2 3.48Å; Y175-V178 PolarHBondContact O-N 2.93Å; V178-S181 CarbonylContact O-C 3.43Å; V178-S181 PolarHBondContact O-N 3.02Å; V178-R182 PolarHBondContact O-N 2.91Å
179F95.8Very high92.1Very high82 Ų8275.6 Ų75.636%0.3636%0.363SS..Hα-helixtrans-66.2-39.5177.1-176.8-101000112.4F113 Y175 P176 S181 R182F113-F179 HydrophobicContact CD1-CD2 4.47Å; F113-F179 AromaticContact CE1-CD2 3.7Å; F113-F179 HydrophobicContact CE1-CD2 3.7Å; F113-F179 HydrophobicContact CE1-CE2 4.42Å; F113-F179 HydrophobicContact CZ-CB 4.1Å; F113-F179 AromaticContact CZ-CD2 3.91Å; F113-F179 HydrophobicContact CZ-CD2 3.91Å; Y175-F179 HydrophobicContact CE1-CB 4.45Å; Y175-F179 VanDerWaalsContact O-CB 3.27Å; Y175-F179 WeakPolarHBondContact O-CB 3.49Å; Y175-F179 PolarHBondContact O-N 2.84Å; P176-F179 PolarHBondContact O-N 3.04Å; F179-S181 PolarHBondContact O-N 2.92Å; F179-R182 VanDerWaalsContact CD1-NH1 3.3Å; F179-R182 WeakPolarHBondContact O-CB 3.05Å; F179-R182 VanDerWaalsContact O-CG 3.24Å; F179-R182 WeakPolarHBondContact O-CG 3.12Å; F179-R182 PolarHBondContact O-N 2.89Å; F179-R182 PolarHBondContact O-NH1 3.4Å
180E95.9Very high91.7Very high130 Ų13078 Ų7861%0.60737%0.372SS*.Hα-helixtrans-62.4-31.2172.1-76.4172.3-172.200112.3P176P176-E180 WeakPolarHBondContact O-CG 3.27Å; P176-E180 PolarHBondContact O-N 3.36Å
181S96.1Very high91.3Very high1 Ų182.9 Ų82.91%0.00740%0.395CS..THydrogen-bonded Turntrans-96.618-179.1-52.60000113.1R116 F120 F177 V178 F179R116-S181 WeakPolarHBondContact CB-O 3.5Å; R116-S181 PolarHBondContact N-O 3.43Å; F120-S181 WeakPolarHBondContact CA-OG 3.28Å; F177-S181 PolarHBondContact O-N 3.18Å; F177-S181 PolarHBondContact O-OG 3.28Å; F177-S181 VanDerWaalsContact O-OG 3.06Å; V178-S181 CarbonylContact O-C 3.43Å; V178-S181 PolarHBondContact O-N 3.02Å; F179-S181 PolarHBondContact O-N 2.92Å
182R96.2Very high90.9Very high84 Ų8488.2 Ų88.232%0.31742%0.421SS..BIsolated β-bridgetrans-70151.6-178.475.2-176.3178.6-85.43.6111.8F113 E114 V178 F179F113-R182 HydrophobicContact CB-CB 4.25Å; F113-R182 HydrophobicContact CD2-CB 3.47Å; F113-R182 VanDerWaalsContact CD2-CB 3.47Å; F113-R182 HydrophobicContact CE2-CB 3.97Å; F113-R182 HydrophobicContact CG-CB 3.89Å; E114-R182 CarbonylContact O-C 3.51Å; E114-R182 VanDerWaalsContact O-CA 3.28Å; E114-R182 WeakPolarHBondContact O-CA 3.34Å; V178-R182 PolarHBondContact O-N 2.91Å; F179-R182 VanDerWaalsContact CD1-NH1 3.3Å; F179-R182 WeakPolarHBondContact O-CB 3.05Å; F179-R182 VanDerWaalsContact O-CG 3.24Å; F179-R182 WeakPolarHBondContact O-CG 3.12Å; F179-R182 PolarHBondContact O-N 2.89Å; F179-R182 PolarHBondContact O-NH1 3.4Å
183K92.7Very high90.5Very high86 Ų8685.5 Ų85.537%0.37441%0.409SS..PPolyproline II helixtrans-78.2123.2164.7-62.5-172.2-166.4170.10108.7E114 R116E114-K183 HydrophobicContact CB-CB 4.17Å; E114-K183 HydrophobicContact CB-CD 3.78Å; E114-K183 HydrophobicContact CB-CG 4.02Å; E114-K183 PolarHBondContact O-N 3.22Å; E114-K183 VanDerWaalsContact OE2-CD 3.27Å; E114-K183 WeakPolarHBondContact OE2-CD 3.24Å; E114-K183 WeakPolarHBondContact OE2-CE 3.42Å; E114-K183 IonicContact OE2-NZ 2.88Å; E114-K183 PolarHBondContact OE2-NZ 2.96Å; R116-K183 HydrophobicContact CG-CG 3.71Å
184E83Confident90.1Very high134 Ų13485.7 Ų85.763%0.62641%0.41SS*.PPolyproline II helixtrans-67.5131.9167.2-65.5177.2166.800108.9L186E184-L186 PolarHBondContact O-N 3.22Å
185I71.2Confident89.6Confident170 Ų17092.8 Ų92.887%0.87244%0.444SS*.  trans-77.6112.2168.1-56.1170.9000104.9
186L56.6Low88.9Confident231 Ų23195.5 Ų95.5100%1.20946%0.462SS*.  trans-710170.6-72.9170.7000110.7E184E184-L186 PolarHBondContact O-N 3.22Å

Retrieved 186 of 186 residues in 39.1 ms (Link to these results)

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