A0A077YUU2_TRITR Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A077YUU2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 218 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
1M44.7Very low45.5Very low246 Ų246152.4 Ų152.4100%1.21286%0.864SS**  0107.20-74.5174.4169.300108
2A46.2Very low45.9Very low97 Ų97146.1 Ų146.180%0.80286%0.858SS**  trans-91106.3177.400000108.7
3N39.4Very low47Very low163 Ų163145.5 Ų145.587%0.87286%0.857SS**  trans-108.686.7172.2-118.69.5000110.5
4R46.5Very low48Very low227 Ų227140.6 Ų140.686%0.85784%0.841SS**  trans14.7113.9145-63.9179.2178.5-136.5-1.5117.3A6R4-A6 PolarHBondContact O-N 3.18Å
5S45.2Very low49.3Very low123 Ų123139.4 Ų139.486%0.8684%0.838SS**  trans-41123.4158.5-360000112.1G7S5-G7 PolarHBondContact O-N 3.44Å
6A47.6Very low51.1Low101 Ų101135.4 Ų135.484%0.83582%0.815SS**PPolyproline II helixtrans-64.9120.6169.800000109.1R4 T8R4-A6 PolarHBondContact O-N 3.18Å; A6-T8 PolarHBondContact O-N 3.22Å
7G43.8Very low53.4Low70 Ų70132.6 Ų132.672%0.72279%0.789SS**PPolyproline II helixtrans-59.2130.5-179.600000112.2S5 R9S5-G7 PolarHBondContact O-N 3.44Å; G7-R9 PolarHBondContact O-N 3.25Å
8T45.5Very low55.6Low138 Ų138132.2 Ų132.285%0.84778%0.781SS**PPolyproline II helixtrans-52.4119167.3-32.60000109.4A6A6-T8 PolarHBondContact O-N 3.22Å
9R47.4Very low57.7Low237 Ų237126.4 Ų126.489%0.89475%0.745SS**PPolyproline II helixtrans-66.2127.6167.2-77.7-178.6165.6179.4-4.4108.3G7G7-R9 PolarHBondContact O-N 3.25Å
10P44.4Very low59.6Low119 Ų119124.7 Ų124.777%0.77373%0.732SS**PPolyproline II helixtrans-74.7134.3179.630.1-31.4000110.1G12P10-G12 PolarHBondContact O-N 3.28Å
11N49.6Very low61.4Low155 Ų155119.5 Ų119.583%0.82970%0.7SS**  trans18.692.2158.5-76.9-4.3000116.2T13N11-T13 PolarHBondContact O-N 3.14Å; N11-T13 VanDerWaalsContact O-N 3.14Å
12G50.9Low64Low77 Ų77109.6 Ų109.679%0.79465%0.651SS**  trans-65.2108.8151.500000107.4P10 A14P10-G12 PolarHBondContact O-N 3.28Å; G12-A14 PolarHBondContact O-N 3.14Å
13T59.6Low66.5Low138 Ų138105 Ų10585%0.84761%0.612SS**  trans-54.9111.5166.5-26.30000106.2N11N11-T13 PolarHBondContact O-N 3.14Å; N11-T13 VanDerWaalsContact O-N 3.14Å
14A61.8Low69.3Low77 Ų7797.2 Ų97.264%0.63657%0.571SS**PPolyproline II helixtrans-55.2141178.800000108.7G12 T16G12-A14 PolarHBondContact O-N 3.14Å; A14-T16 PolarHBondContact O-N 3.39Å; A14-T16 VanDerWaalsContact O-N 3.12Å
15P67Low71.8Confident123 Ų12386.4 Ų86.480%0.79953%0.53SS*.PPolyproline II helixtrans-57.8122.4178.821.7-30.7000109.6K17P15-K17 PolarHBondContact O-N 3.45Å
16T77.7Confident74.3Confident75 Ų7580.5 Ų80.546%0.4649%0.489SS..PPolyproline II helixtrans-59.9125.6176.6-45.30000109A14 I18A14-T16 PolarHBondContact O-N 3.39Å; A14-T16 VanDerWaalsContact O-N 3.12Å; T16-I18 PolarHBondContact O-N 3.22Å
17K89.8Confident76.7Confident88 Ų8875.8 Ų75.838%0.38345%0.45SS..EExtended strand (participates in β ladder)trans-65.9130-178.6-65.8-180-172.7176.20109.4P15 F19 D66 M67 T68 E185P15-K17 PolarHBondContact O-N 3.45Å; K17-F19 HydrophobicContact CB-CD2 4.4Å; K17-F19 HydrophobicContact CB-CE2 3.64Å; K17-F19 HydrophobicContact CB-CZ 4.21Å; K17-F19 HydrophobicContact CD-CE2 4.5Å; K17-F19 HydrophobicContact CD-CZ 4.41Å; K17-D66 PolarHBondContact N-O 2.86Å; K17-M67 HydrophobicContact CB-CB 4.35Å; K17-M67 CarbonylContact O-C 3.46Å; K17-M67 WeakPolarHBondContact O-CA 3.29Å; K17-M67 WeakPolarHBondContact O-CB 3.41Å; K17-T68 PolarHBondContact O-N 3.04Å; K17-E185 IonicContact NZ-OE1 2.82Å; K17-E185 PolarHBondContact NZ-OE1 2.84Å; K17-E185 IonicContact NZ-OE2 3.69Å; K17-E185 PolarHBondContact NZ-OE2 2.88Å
18I93.2Very high79.3Confident125 Ų12574.7 Ų74.764%0.64143%0.426SS*.EExtended strand (participates in β ladder)trans-107.9125.7177.6-55178.7000109.4T16 T68T16-I18 PolarHBondContact O-N 3.22Å; I18-T68 CarbonylContact C-O 3.57Å; I18-T68 WeakPolarHBondContact CA-O 3.34Å
19F95.5Very high81.7Confident23 Ų2370.1 Ų70.110%0.10140%0.399CS..EExtended strand (participates in β ladder)trans-114.7135.3176.2-63.7-91.2000110.1K17 F21 M67 T68 K70 K183 T184K17-F19 HydrophobicContact CB-CD2 4.4Å; K17-F19 HydrophobicContact CB-CE2 3.64Å; K17-F19 HydrophobicContact CB-CZ 4.21Å; K17-F19 HydrophobicContact CD-CE2 4.5Å; K17-F19 HydrophobicContact CD-CZ 4.41Å; F19-F21 HydrophobicContact CB-CD2 4.21Å; F19-F21 HydrophobicContact CB-CE2 3.52Å; F19-F21 HydrophobicContact CB-CZ 4.02Å; F19-F21 HydrophobicContact CD1-CZ 4.42Å; F19-F21 HydrophobicContact CG-CE2 4.33Å; F19-M67 HydrophobicContact CB-CE 4.41Å; F19-M67 HydrophobicContact CD2-CB 4.21Å; F19-M67 HydrophobicContact CD2-CE 3.22Å; F19-M67 HydrophobicContact CD2-SD 4.36Å; F19-M67 HydrophobicContact CE2-CB 4.06Å; F19-M67 HydrophobicContact CE2-CE 3.6Å; F19-M67 HydrophobicContact CE2-SD 4.21Å; F19-M67 HydrophobicContact CG-CE 3.98Å; F19-T68 PolarHBondContact N-O 3.1Å; F19-K70 PolarHBondContact O-N 3.24Å; F19-K183 HydrophobicContact CE1-CB 3.91Å; F19-K183 HydrophobicContact CE2-CB 4.22Å; F19-K183 HydrophobicContact CE2-CG 4.3Å; F19-K183 HydrophobicContact CZ-CB 3.7Å; F19-K183 HydrophobicContact CZ-CG 4.26Å; F19-T184 WeakPolarHBondContact CE1-O 3.41Å
20L96.5Very high84Confident91 Ų9162.6 Ų62.648%0.47639%0.388SS..EExtended strand (participates in β ladder)trans-106.4125.2177.2-171.469.8000109.3K70 E72L20-K70 WeakPolarHBondContact CA-O 3.36Å; L20-K70 HydrophobicContact CD1-CB 3.89Å; L20-K70 HydrophobicContact CD1-CD 3.87Å; L20-K70 HydrophobicContact CD1-CG 3.72Å; L20-E72 HydrophobicContact CD1-CG 3.8Å; L20-E72 HydrophobicContact CG-CG 4.25Å
21F97.8Very high86.6Confident16 Ų1657 Ų577%0.0735%0.352CS..EExtended strand (participates in β ladder)trans-132.3136.3176.5-63.7-69.8000111.3F19 V69 K70 F71 E72 Q94 L181 P182F19-F21 HydrophobicContact CB-CD2 4.21Å; F19-F21 HydrophobicContact CB-CE2 3.52Å; F19-F21 HydrophobicContact CB-CZ 4.02Å; F19-F21 HydrophobicContact CD1-CZ 4.42Å; F19-F21 HydrophobicContact CG-CE2 4.33Å; F21-V69 HydrophobicContact CD2-CG1 3.78Å; F21-V69 HydrophobicContact CE2-CG1 4.37Å; F21-V69 HydrophobicContact CE2-CG2 4.4Å; F21-K70 PolarHBondContact N-O 3Å; F21-F71 HydrophobicContact CB-CD1 4.24Å; F21-F71 HydrophobicContact CB-CE1 4.36Å; F21-F71 CarbonylContact O-C 3.49Å; F21-F71 WeakPolarHBondContact O-CA 3.32Å; F21-E72 PolarHBondContact O-N 2.91Å; F21-Q94 HydrophobicContact CD1-CB 3.93Å; F21-Q94 HydrophobicContact CD1-CG 3.89Å; F21-L181 HydrophobicContact CB-CD1 3.92Å; F21-L181 HydrophobicContact CD1-CD1 4.29Å; F21-L181 HydrophobicContact CD1-CD2 4.31Å; F21-L181 HydrophobicContact CD2-CB 4.21Å; F21-L181 HydrophobicContact CD2-CD1 3.62Å; F21-L181 HydrophobicContact CD2-CG 4.45Å; F21-L181 HydrophobicContact CE1-CB 4.3Å; F21-L181 HydrophobicContact CE2-CB 3.88Å; F21-L181 HydrophobicContact CE2-CD1 4.16Å; F21-L181 HydrophobicContact CG-CD1 3.69Å; F21-L181 HydrophobicContact CG-CD2 4.49Å; F21-L181 HydrophobicContact CG-CG 4.48Å; F21-L181 HydrophobicContact CZ-CB 3.94Å; F21-P182 VanDerWaalsContact CZ-O 3.29Å; F21-P182 WeakPolarHBondContact CZ-O 3.18Å
22K98.2Very high88.9Confident38 Ų3850.2 Ų50.217%0.16532%0.319CS..EExtended strand (participates in β ladder)trans-79.6124169.4-178.9178.6176.7-174.50109.4E72 Y89 R91 A93 Q94 A95K22-E72 WeakPolarHBondContact CA-O 3.49Å; K22-Y89 WeakPolarHBondContact CE-O 2.95Å; K22-Y89 PolarHBondContact NZ-O 3.45Å; K22-R91 PolarHBondContact NZ-O 3.3Å; K22-A93 HydrophobicContact CD-CB 4.32Å; K22-A93 HydrophobicContact CG-CB 4.11Å; K22-Q94 PolarHBondContact O-N 3.32Å; K22-Q94 PolarHBondContact O-OE1 2.89Å; K22-A95 PolarHBondContact O-N 3.45Å
23L98.6Very high91.2Very high0 Ų047 Ų470%028%0.283CS..EExtended strand (participates in β ladder)trans-122.1132.7177.3-176.6155.6000109L25 F71 E72 I73 W74 A95 I97 F174 I177L23-L25 HydrophobicContact CD2-CD1 3.58Å; L23-L25 HydrophobicContact CD2-CG 4.36Å; L23-F71 HydrophobicContact CB-CD1 3.89Å; L23-F71 HydrophobicContact CB-CE1 4.43Å; L23-F71 HydrophobicContact CD1-CD1 3.83Å; L23-F71 HydrophobicContact CD1-CE1 3.77Å; L23-F71 HydrophobicContact CD1-CG 4.29Å; L23-F71 HydrophobicContact CD1-CZ 4.18Å; L23-E72 PolarHBondContact N-O 2.97Å; L23-E72 VanDerWaalsContact O-O 3.12Å; L23-I73 HydrophobicContact CD2-CG2 4.22Å; L23-I73 CarbonylContact O-C 3.47Å; L23-I73 WeakPolarHBondContact O-CA 3.4Å; L23-W74 PolarHBondContact O-N 3.41Å; L23-A95 WeakPolarHBondContact CA-O 3.47Å; L23-A95 HydrophobicContact CB-CB 4.42Å; L23-A95 HydrophobicContact CD1-CB 4.19Å; L23-A95 HydrophobicContact CG-CB 4.16Å; L23-I97 HydrophobicContact CD1-CD1 4.24Å; L23-I97 HydrophobicContact CD1-CG1 4.39Å; L23-I97 HydrophobicContact CD2-CD1 4.05Å; L23-I97 HydrophobicContact CD2-CG1 4.11Å; L23-F174 HydrophobicContact CD1-CD1 3.88Å; L23-F174 HydrophobicContact CD1-CE1 3.92Å; L23-F174 HydrophobicContact CD2-CE1 4.04Å; L23-I177 HydrophobicContact CD1-CD1 4.06Å; L23-I177 HydrophobicContact CD1-CG2 4.18Å
24V98.6Very high93Very high0 Ų041.4 Ų41.40%025%0.249CC..EExtended strand (participates in β ladder)trans-115.9140.8177.264.80000110.7L26 W74 T76 A93 A95 A96 I97V24-L26 HydrophobicContact CG1-CG 4.5Å; V24-L26 HydrophobicContact CG2-CD2 4.19Å; V24-L26 HydrophobicContact CG2-CG 4.22Å; V24-W74 WeakPolarHBondContact CA-O 3.48Å; V24-W74 HydrophobicContact CB-CB 4.39Å; V24-W74 HydrophobicContact CG2-CB 4.18Å; V24-T76 HydrophobicContact CG2-CG2 3.7Å; V24-A93 HydrophobicContact CB-CB 4.47Å; V24-A93 HydrophobicContact CG1-CB 4.04Å; V24-A95 PolarHBondContact N-O 3.41Å; V24-A95 VanDerWaalsContact N-O 3.1Å; V24-A96 HydrophobicContact CG1-CB 3.75Å; V24-A96 CarbonylContact O-C 3.45Å; V24-A96 VanDerWaalsContact O-CA 3.25Å; V24-A96 WeakPolarHBondContact O-CA 3.28Å; V24-I97 PolarHBondContact O-N 3.1Å
25L98.7Very high94.8Very high0 Ų038.4 Ų38.40%022%0.223CC..EExtended strand (participates in β ladder)trans-102127.8168.7-71.386.7000109.4L23 K33 V37 I73 W74 T76 I97 V99L23-L25 HydrophobicContact CD2-CD1 3.58Å; L23-L25 HydrophobicContact CD2-CG 4.36Å; L25-K33 HydrophobicContact CB-CB 4.24Å; L25-K33 HydrophobicContact CB-CD 4.24Å; L25-K33 HydrophobicContact CB-CG 4.42Å; L25-K33 HydrophobicContact CD2-CB 4.13Å; L25-V37 HydrophobicContact CD1-CG2 3.43Å; L25-V37 VanDerWaalsContact CD1-CG2 3.43Å; L25-V37 HydrophobicContact CD2-CG2 3.38Å; L25-V37 HydrophobicContact CG-CG2 4.01Å; L25-I73 HydrophobicContact CD1-CG2 3.39Å; L25-W74 PolarHBondContact N-O 3.25Å; L25-T76 WeakPolarHBondContact O-CG2 3.48Å; L25-T76 PolarHBondContact O-OG1 2.89Å; L25-I97 CarbonylContact C-O 3.53Å; L25-I97 WeakPolarHBondContact CA-O 3.2Å; L25-I97 HydrophobicContact CG-CB 4.22Å; L25-V99 HydrophobicContact CD2-CG2 4.34Å
26L98.4Very high96.3Very high0 Ų032.8 Ų32.80%019%0.187CC..EExtended strand (participates in β ladder)trans-124.8161.7177.1-64.2172.1000109.8V24 T76 A86 Y90 I97 V98 V99 W114 L118V24-L26 HydrophobicContact CG1-CG 4.5Å; V24-L26 HydrophobicContact CG2-CD2 4.19Å; V24-L26 HydrophobicContact CG2-CG 4.22Å; L26-T76 HydrophobicContact CD2-CG2 4.1Å; L26-A86 HydrophobicContact CD2-CB 4.12Å; L26-Y90 HydrophobicContact CD1-CD1 4.09Å; L26-I97 PolarHBondContact N-O 3.4Å; L26-V98 WeakPolarHBondContact O-CA 3.41Å; L26-V99 PolarHBondContact O-N 3.34Å; L26-W114 HydrophobicContact CB-CD2 4.1Å; L26-W114 HydrophobicContact CB-CE3 4.3Å; L26-W114 HydrophobicContact CB-CG 4.27Å; L26-W114 HydrophobicContact CD1-CD2 4.48Å; L26-W114 HydrophobicContact CD1-CE3 3.88Å; L26-W114 HydrophobicContact CD1-CZ3 4.29Å; L26-W114 HydrophobicContact CD2-CE3 4.31Å; L26-W114 HydrophobicContact CD2-CH2 4.28Å; L26-W114 HydrophobicContact CD2-CZ3 4.1Å; L26-W114 HydrophobicContact CG-CE3 4.4Å; L26-L118 HydrophobicContact CD1-CD1 4.04Å; L26-L118 HydrophobicContact CD1-CD2 3.72Å; L26-L118 HydrophobicContact CD1-CG 3.97Å
27G98.1Very high97.3Very high1 Ų129.3 Ų29.31%0.0117%0.165CC..  trans139166.7-176.500000112.1K33 G78 V99G27-K33 PolarHBondContact O-NZ 3.45Å; G27-G78 WeakPolarHBondContact O-CA 3.25Å; G27-V99 WeakPolarHBondContact CA-O 3.18Å
28E97.5Very high97.7Very high48 Ų4826 Ų2622%0.22415%0.152CC..  trans-60.6164.6-177-166.550.2-109.900112.5V31 K33 K110E28-V31 HydrophobicContact CB-CG1 3.85Å; E28-V31 VanDerWaalsContact O-CG2 3.28Å; E28-V31 WeakPolarHBondContact O-CG2 3.23Å; E28-K33 PolarHBondContact O-NZ 2.82Å; E28-K110 HydrophobicContact CB-CB 4.48Å; E28-K110 WeakPolarHBondContact OE2-CG 3.33Å
29S96.4Very high97.9Very high41 Ų4122.7 Ų22.729%0.28713%0.131SC..THydrogen-bonded Turntrans-58.5151.4171.9-165.30000111.6V31 G78S29-V31 PolarHBondContact O-N 2.72Å; S29-G78 PolarHBondContact N-O 2.81Å
30A96.6Very high98Very high79 Ų7922.1 Ų22.165%0.65313%0.129SC*.THydrogen-bonded Turntrans57.98.5174.600000117.9G32 K134A30-G32 PolarHBondContact O-N 3.17Å; A30-K134 VanDerWaalsContact O-CE 3.32Å; A30-K134 WeakPolarHBondContact O-CE 3.34Å; A30-K134 PolarHBondContact O-NZ 2.82Å
31V98.3Very high98.1Very high2 Ų219 Ų191%0.01212%0.116CC..SBendtrans-70.1-16.4173.1-57.50000113.3E28 S29 K33 V99 D101 N133E28-V31 HydrophobicContact CB-CG1 3.85Å; E28-V31 VanDerWaalsContact O-CG2 3.28Å; E28-V31 WeakPolarHBondContact O-CG2 3.23Å; S29-V31 PolarHBondContact O-N 2.72Å; V31-K33 HydrophobicContact CG2-CD 4.49Å; V31-K33 HydrophobicContact CG2-CG 3.77Å; V31-V99 HydrophobicContact CB-CG1 4.23Å; V31-V99 HydrophobicContact CG2-CB 3.85Å; V31-V99 HydrophobicContact CG2-CG1 3.77Å; V31-D101 HydrophobicContact CB-CB 4.34Å; V31-D101 HydrophobicContact CG1-CB 4.26Å; V31-N133 PolarHBondContact O-ND2 3.34Å
32G98.3Very high98Very high13 Ų1324.9 Ų24.913%0.13414%0.142CC..SBendtrans100.924.8174.900000115.9A30 S34 S35 L36A30-G32 PolarHBondContact O-N 3.17Å; G32-S34 PolarHBondContact O-N 2.81Å; G32-S35 PolarHBondContact O-N 2.94Å; G32-L36 PolarHBondContact O-N 3.39Å
33K98.5Very high98Very high9 Ų925.3 Ų25.34%0.03916%0.157CC..Hα-helixtrans-49.6-57.5173.3-60.3-174.2-62.5-76.60111.8L25 G27 E28 V31 S35 L36 V37 D75 T76 V99L25-K33 HydrophobicContact CB-CB 4.24Å; L25-K33 HydrophobicContact CB-CD 4.24Å; L25-K33 HydrophobicContact CB-CG 4.42Å; L25-K33 HydrophobicContact CD2-CB 4.13Å; G27-K33 PolarHBondContact O-NZ 3.45Å; E28-K33 PolarHBondContact O-NZ 2.82Å; V31-K33 HydrophobicContact CG2-CD 4.49Å; V31-K33 HydrophobicContact CG2-CG 3.77Å; K33-S35 VanDerWaalsContact C-N 3.28Å; K33-S35 PolarHBondContact O-N 3.27Å; K33-L36 WeakPolarHBondContact O-CB 3.44Å; K33-L36 PolarHBondContact O-N 2.94Å; K33-L36 VanDerWaalsContact O-N 3.14Å; K33-V37 WeakPolarHBondContact O-CG2 3.35Å; K33-V37 PolarHBondContact O-N 3.49Å; K33-D75 VanDerWaalsContact CB-OD1 3.31Å; K33-D75 WeakPolarHBondContact CB-OD1 3.33Å; K33-T76 WeakPolarHBondContact CE-O 3.31Å; K33-V99 HydrophobicContact CG-CB 3.98Å; K33-V99 HydrophobicContact CG-CG2 3.95Å
34S98.4Very high97.9Very high21 Ų2129.7 Ų29.715%0.14718%0.177CC..Hα-helixtrans-60.1-37.1179.1-43.70000112.8G32 V37 L38 T52 D75G32-S34 PolarHBondContact O-N 2.81Å; S34-V37 PolarHBondContact O-N 3.35Å; S34-L38 VanDerWaalsContact O-CB 3.25Å; S34-L38 WeakPolarHBondContact O-CB 3.5Å; S34-L38 PolarHBondContact O-N 3.13Å; S34-T52 PolarHBondContact OG-OG1 3.03Å; S34-D75 WeakPolarHBondContact CA-OD2 3.16Å; S34-D75 WeakPolarHBondContact CB-OD2 3.32Å; S34-D75 PolarHBondContact N-OD1 2.9Å; S34-D75 PolarHBondContact OG-OD1 3.1Å; S34-D75 PolarHBondContact OG-OD2 3.31Å
35S98.5Very high97.9Very high13 Ų1332.5 Ų32.59%0.09119%0.189CC..Hα-helixtrans-67.5-39.8177.1-51.30000112.1G32 K33 R39G32-S35 PolarHBondContact O-N 2.94Å; K33-S35 VanDerWaalsContact C-N 3.28Å; K33-S35 PolarHBondContact O-N 3.27Å; S35-R39 VanDerWaalsContact O-CB 3.3Å; S35-R39 WeakPolarHBondContact O-CB 3.29Å; S35-R39 PolarHBondContact O-N 3.36Å
36L98.6Very high97.8Very high5 Ų536.7 Ų36.73%0.02621%0.209CC..Hα-helixtrans-62.6-45.6173.5-76.4172.8000110.9G32 K33 R39 F40 V99 N133 A164 V170G32-L36 PolarHBondContact O-N 3.39Å; K33-L36 WeakPolarHBondContact O-CB 3.44Å; K33-L36 PolarHBondContact O-N 2.94Å; K33-L36 VanDerWaalsContact O-N 3.14Å; L36-R39 PolarHBondContact O-N 3.14Å; L36-F40 WeakPolarHBondContact O-CB 3.41Å; L36-F40 PolarHBondContact O-N 2.78Å; L36-V99 HydrophobicContact CD1-CG1 3.91Å; L36-V99 HydrophobicContact CD1-CG2 4.01Å; L36-N133 HydrophobicContact CD1-CB 4.24Å; L36-A164 HydrophobicContact CD2-CB 4.02Å; L36-A164 HydrophobicContact CG-CB 4.28Å; L36-V170 HydrophobicContact CD2-CG2 3.82Å
37V98.3Very high97.6Very high2 Ų242.1 Ų42.11%0.01223%0.234CC..Hα-helixtrans-65.2-43.6179.2-177.50000111.2L25 K33 S34 R39 F40 A41 L58 I73 D75L25-V37 HydrophobicContact CD1-CG2 3.43Å; L25-V37 VanDerWaalsContact CD1-CG2 3.43Å; L25-V37 HydrophobicContact CD2-CG2 3.38Å; L25-V37 HydrophobicContact CG-CG2 4.01Å; K33-V37 WeakPolarHBondContact O-CG2 3.35Å; K33-V37 PolarHBondContact O-N 3.49Å; S34-V37 PolarHBondContact O-N 3.35Å; V37-R39 VanDerWaalsContact C-N 3.34Å; V37-R39 PolarHBondContact O-N 3.48Å; V37-F40 PolarHBondContact O-N 3.41Å; V37-A41 WeakPolarHBondContact O-CB 3.31Å; V37-A41 PolarHBondContact O-N 2.8Å; V37-L58 HydrophobicContact CB-CD2 4.5Å; V37-L58 HydrophobicContact CG1-CD1 3.66Å; V37-L58 HydrophobicContact CG1-CD2 3.2Å; V37-L58 HydrophobicContact CG1-CG 3.71Å; V37-I73 HydrophobicContact CG1-CG2 3.86Å; V37-I73 HydrophobicContact CG2-CG2 3.95Å; V37-D75 HydrophobicContact CG2-CB 4.27Å
38L97.9Very high97.3Very high20 Ų2052.3 Ų52.311%0.10527%0.274CS..Hα-helixtrans-61.3-43.4176.1-179.865.4000111.5S34 K42 G43 Q44S34-L38 VanDerWaalsContact O-CB 3.25Å; S34-L38 WeakPolarHBondContact O-CB 3.5Å; S34-L38 PolarHBondContact O-N 3.13Å; L38-K42 HydrophobicContact CD1-CB 4.13Å; L38-K42 HydrophobicContact CD1-CD 3.76Å; L38-K42 HydrophobicContact CD1-CG 4.18Å; L38-K42 WeakPolarHBondContact O-CA 3.39Å; L38-K42 WeakPolarHBondContact O-CB 3.14Å; L38-K42 PolarHBondContact O-N 3.12Å; L38-G43 PolarHBondContact O-N 2.97Å; L38-Q44 CarbonylContact C-O 3.51Å; L38-Q44 HydrophobicContact CD1-CB 4.16Å; L38-Q44 HydrophobicContact CD2-CB 4.2Å; L38-Q44 HydrophobicContact CG-CB 3.93Å
39R98.4Very high97Very high54 Ų5453.9 Ų53.920%0.20428%0.281CS..Hα-helixtrans-63.5-43.9177.5178.560.773.5-179.114.6111.4S35 L36 V37 G43 Q44 A164 K165 A167 V170S35-R39 VanDerWaalsContact O-CB 3.3Å; S35-R39 WeakPolarHBondContact O-CB 3.29Å; S35-R39 PolarHBondContact O-N 3.36Å; L36-R39 PolarHBondContact O-N 3.14Å; V37-R39 VanDerWaalsContact C-N 3.34Å; V37-R39 PolarHBondContact O-N 3.48Å; R39-G43 PolarHBondContact NH1-O 2.88Å; R39-G43 WeakPolarHBondContact O-CA 3.35Å; R39-G43 PolarHBondContact O-N 2.77Å; R39-Q44 WeakPolarHBondContact CA-O 3.27Å; R39-Q44 PolarHBondContact N-O 2.83Å; R39-A164 PolarHBondContact NE-O 3.12Å; R39-A164 PolarHBondContact NH2-O 2.99Å; R39-K165 PolarHBondContact NH2-O 2.86Å; R39-A167 HydrophobicContact CG-CB 4.13Å; R39-V170 HydrophobicContact CB-CG1 4.13Å; R39-V170 HydrophobicContact CG-CB 4.17Å; R39-V170 HydrophobicContact CG-CG1 3.86Å; R39-V170 HydrophobicContact CG-CG2 4Å
40F98.3Very high96.9Very high12 Ų1259.9 Ų59.95%0.05331%0.305CS..Hα-helixtrans-67.9-46.2178.4176.5-123.7000112.9L36 V37 Q60 V62 F71 I73 V170 N171 F174L36-F40 WeakPolarHBondContact O-CB 3.41Å; L36-F40 PolarHBondContact O-N 2.78Å; V37-F40 PolarHBondContact O-N 3.41Å; F40-Q60 HydrophobicContact CD1-CB 4.01Å; F40-Q60 HydrophobicContact CD1-CG 3.74Å; F40-Q60 HydrophobicContact CD2-CG 4.47Å; F40-Q60 HydrophobicContact CE1-CB 3.56Å; F40-Q60 HydrophobicContact CE1-CG 3.25Å; F40-Q60 HydrophobicContact CE2-CG 4.06Å; F40-Q60 HydrophobicContact CG-CG 4.32Å; F40-Q60 HydrophobicContact CZ-CB 4.18Å; F40-Q60 HydrophobicContact CZ-CG 3.42Å; F40-Q60 VanDerWaalsContact CZ-CG 3.42Å; F40-Q60 PolarHBondContact O-NE2 3.04Å; F40-Q60 VanDerWaalsContact O-NE2 3.1Å; F40-V62 HydrophobicContact CE2-CG2 4.12Å; F40-V62 HydrophobicContact CZ-CG2 3.63Å; F40-F71 HydrophobicContact CE1-CD2 4.42Å; F40-F71 HydrophobicContact CZ-CD2 4.5Å; F40-I73 HydrophobicContact CD1-CD1 3.78Å; F40-I73 HydrophobicContact CE1-CD1 3.77Å; F40-V170 HydrophobicContact CB-CG1 3.85Å; F40-N171 WeakPolarHBondContact CD2-OD1 3.33Å; F40-F174 HydrophobicContact CB-CD2 3.92Å; F40-F174 HydrophobicContact CB-CE2 3.56Å; F40-F174 HydrophobicContact CB-CZ 4.21Å; F40-F174 AromaticContact CD1-CD1 3.83Å; F40-F174 HydrophobicContact CD1-CD1 3.83Å; F40-F174 AromaticContact CD1-CD2 3.58Å; F40-F174 HydrophobicContact CD1-CD2 3.58Å; F40-F174 AromaticContact CD1-CE1 3.77Å; F40-F174 HydrophobicContact CD1-CE1 3.77Å; F40-F174 AromaticContact CD1-CE2 3.57Å; F40-F174 HydrophobicContact CD1-CE2 3.57Å; F40-F174 AromaticContact CD1-CG 3.75Å; F40-F174 HydrophobicContact CD1-CG 3.75Å; F40-F174 AromaticContact CD1-CZ 3.66Å; F40-F174 HydrophobicContact CD1-CZ 3.66Å; F40-F174 HydrophobicContact CD2-CB 4.28Å; F40-F174 AromaticContact CD2-CD2 3.54Å; F40-F174 HydrophobicContact CD2-CD2 3.54Å; F40-F174 HydrophobicContact CD2-CE2 4.1Å; F40-F174 HydrophobicContact CD2-CG 4Å; F40-F174 HydrophobicContact CE1-CB 4.09Å; F40-F174 AromaticContact CE1-CD1 3.59Å; F40-F174 HydrophobicContact CE1-CD1 3.59Å; F40-F174 AromaticContact CE1-CD2 3.91Å; F40-F174 HydrophobicContact CE1-CD2 3.91Å; F40-F174 AromaticContact CE1-CE1 3.94Å; F40-F174 HydrophobicContact CE1-CE1 3.94Å; F40-F174 HydrophobicContact CE1-CE2 4.28Å; F40-F174 AromaticContact CE1-CG 3.59Å; F40-F174 HydrophobicContact CE1-CG 3.59Å; F40-F174 HydrophobicContact CE1-CZ 4.29Å; F40-F174 HydrophobicContact CE2-CB 3.76Å; F40-F174 AromaticContact CE2-CD2 3.91Å; F40-F174 HydrophobicContact CE2-CD2 3.91Å; F40-F174 AromaticContact CE2-CG 3.89Å; F40-F174 HydrophobicContact CE2-CG 3.89Å; F40-F174 HydrophobicContact CG-CD1 4.46Å; F40-F174 AromaticContact CG-CD2 3.37Å; F40-F174 HydrophobicContact CG-CD2 3.37Å; F40-F174 HydrophobicContact CG-CE1 4.49Å; F40-F174 AromaticContact CG-CE2 3.46Å; F40-F174 HydrophobicContact CG-CE2 3.46Å; F40-F174 VanDerWaalsContact CG-CE2 3.46Å; F40-F174 AromaticContact CG-CG 3.95Å; F40-F174 HydrophobicContact CG-CG 3.95Å; F40-F174 HydrophobicContact CG-CZ 4.04Å; F40-F174 HydrophobicContact CZ-CB 3.66Å; F40-F174 HydrophobicContact CZ-CD1 4.08Å; F40-F174 HydrophobicContact CZ-CD2 4.09Å; F40-F174 AromaticContact CZ-CG 3.68Å; F40-F174 HydrophobicContact CZ-CG 3.68Å
41A97.2Very high96.8Very high24 Ų2459.8 Ų59.820%0.19830%0.299CS..Hα-helixtrans-78.8-34-173.500000113.3V37 L58 Q60V37-A41 WeakPolarHBondContact O-CB 3.31Å; V37-A41 PolarHBondContact O-N 2.8Å; A41-L58 HydrophobicContact CB-CD1 3.67Å; A41-L58 HydrophobicContact CB-CD2 4.35Å; A41-Q60 HydrophobicContact CB-CB 4.36Å; A41-Q60 PolarHBondContact O-NE2 3.14Å
42K96.5Very high96.6Very high141 Ų14160.9 Ų60.961%0.61331%0.306SS*.Hα-helixtrans-127.3-2.6-170.9-57.1-169.5-174.7174.20114.1L38 Q44L38-K42 HydrophobicContact CD1-CB 4.13Å; L38-K42 HydrophobicContact CD1-CD 3.76Å; L38-K42 HydrophobicContact CD1-CG 4.18Å; L38-K42 WeakPolarHBondContact O-CA 3.39Å; L38-K42 WeakPolarHBondContact O-CB 3.14Å; L38-K42 PolarHBondContact O-N 3.12Å; K42-Q44 HydrophobicContact CB-CB 4.29Å; K42-Q44 HydrophobicContact CB-CG 4.21Å; K42-Q44 PolarHBondContact O-N 2.81Å
43G97.3Very high96.2Very high47 Ų4766.4 Ų66.449%0.48533%0.331SS..SBendtrans65.119.6-174.600000113.2L38 R39L38-G43 PolarHBondContact O-N 2.97Å; R39-G43 PolarHBondContact NH1-O 2.88Å; R39-G43 WeakPolarHBondContact O-CA 3.35Å; R39-G43 PolarHBondContact O-N 2.77Å
44Q97.9Very high95.9Very high92 Ų9266.5 Ų66.543%0.4334%0.335SS..  trans-112.1156.8-173-73.9172-7.600112.2L38 R39 K42L38-Q44 CarbonylContact C-O 3.51Å; L38-Q44 HydrophobicContact CD1-CB 4.16Å; L38-Q44 HydrophobicContact CD2-CB 4.2Å; L38-Q44 HydrophobicContact CG-CB 3.93Å; R39-Q44 WeakPolarHBondContact CA-O 3.27Å; R39-Q44 PolarHBondContact N-O 2.83Å; K42-Q44 HydrophobicContact CB-CB 4.29Å; K42-Q44 HydrophobicContact CB-CG 4.21Å; K42-Q44 PolarHBondContact O-N 2.81Å
45F98Very high95.8Very high58 Ų5866.9 Ų66.925%0.25434%0.339SS..  trans-143.9134171.4173.9-94.6000109.2E47 A164 K165F45-E47 HydrophobicContact CE1-CB 4.46Å; F45-E47 WeakPolarHBondContact CE1-OE2 3.37Å; F45-A164 HydrophobicContact CD2-CB 3.96Å; F45-A164 WeakPolarHBondContact CD2-O 3.19Å; F45-A164 HydrophobicContact CE2-CB 4.12Å; F45-K165 HydrophobicContact CD1-CB 4.43Å; F45-K165 HydrophobicContact CD1-CG 4.15Å; F45-K165 HydrophobicContact CD2-CB 4.31Å; F45-K165 HydrophobicContact CE1-CB 4.04Å; F45-K165 HydrophobicContact CE1-CD 4.02Å; F45-K165 HydrophobicContact CE1-CG 3.74Å; F45-K165 HydrophobicContact CE2-CB 3.91Å; F45-K165 HydrophobicContact CZ-CB 3.77Å; F45-K165 HydrophobicContact CZ-CD 4.13Å; F45-K165 HydrophobicContact CZ-CG 3.95Å
46H97Very high95.7Very high88 Ų8868.3 Ų68.341%0.40735%0.352SS..  trans-113.7125.9174-57.6149.3000108.5Y48H46-Y48 PolarHBondContact O-N 3.02Å
47E93.8Very high95.6Very high115 Ų11573 Ų7354%0.53737%0.372SS..SBendtrans-61.5-37.2178.1-16773-153.500111.1F45 K165F45-E47 HydrophobicContact CE1-CB 4.46Å; F45-E47 WeakPolarHBondContact CE1-OE2 3.37Å; E47-K165 IonicContact OE1-NZ 3.13Å; E47-K165 PolarHBondContact OE1-NZ 2.88Å; E47-K165 VanDerWaalsContact OE1-NZ 3.13Å; E47-K165 WeakPolarHBondContact OE2-CE 3.36Å; E47-K165 IonicContact OE2-NZ 2.77Å; E47-K165 PolarHBondContact OE2-NZ 2.82Å
48Y92Very high95.5Very high215 Ų21575 Ų7584%0.84338%0.383SS*.SBendtrans-111.183.4177.8-53.1-68.9000109.8H46H46-Y48 PolarHBondContact O-N 3.02Å
49Q92Very high95.5Very high80 Ų8076.7 Ų76.737%0.37439%0.394SS..PPolyproline II helixtrans-86.6126.7175-177.357.246.900110.1
50E92.9Very high95.4Very high167 Ų16776.8 Ų76.878%0.7840%0.397SS*.PPolyproline II helixtrans-64.7150.1174.8-65.7-174.1160.600111.4T52E50-T52 PolarHBondContact O-N 3.34Å
51S94.8Very high95.3Very high77 Ų7778.5 Ų78.554%0.53841%0.411SS..PPolyproline II helixtrans-66.9124.5177-70.30000111I53S51-I53 PolarHBondContact O-N 2.83Å
52T93.1Very high95.3Very high25 Ų2577.8 Ų77.815%0.15340%0.404CS..PPolyproline II helixtrans-59.3135.4172.7-53.60000111.1S34 E50 A56 D75 A77S34-T52 PolarHBondContact OG-OG1 3.03Å; E50-T52 PolarHBondContact O-N 3.34Å; T52-A56 HydrophobicContact CG2-CB 4.46Å; T52-D75 PolarHBondContact OG1-OD2 3.45Å; T52-A77 WeakPolarHBondContact O-CB 3.34Å
53I91.2Very high95.1Very high129 Ų12976 Ų7666%0.66241%0.408SS*.  trans-105122.9174.3-65.5175.5000107.9S51 A55 Y82S51-I53 PolarHBondContact O-N 2.83Å; I53-A55 PolarHBondContact O-N 3.3Å; I53-Y82 HydrophobicContact CG2-CE1 4.46Å
54G91.9Very high94.7Very high12 Ų1275.5 Ų75.512%0.12439%0.393CS..SBendtrans65.7-102.2-176.200000111.9A77G54-A77 VanDerWaalsContact O-CB 3.27Å; G54-A77 WeakPolarHBondContact O-CB 3.27Å; G54-A77 PolarHBondContact O-N 3.1Å
55A95.3Very high94Very high29 Ų2979.6 Ų79.624%0.2442%0.418CS..EExtended strand (participates in β ladder)trans-152.2148.4170.900000111.8I53 W74 D75 T76 Y89I53-A55 PolarHBondContact O-N 3.3Å; A55-W74 HydrophobicContact CB-CE3 4.26Å; A55-D75 CarbonylContact C-O 3.53Å; A55-D75 WeakPolarHBondContact CA-O 3.07Å; A55-D75 WeakPolarHBondContact CB-O 3.44Å; A55-T76 HydrophobicContact CB-CG2 4.48Å; A55-Y89 HydrophobicContact CB-CD1 3.92Å; A55-Y89 HydrophobicContact CB-CD2 4.27Å; A55-Y89 HydrophobicContact CB-CE1 3.43Å; A55-Y89 VanDerWaalsContact CB-CE1 3.43Å; A55-Y89 HydrophobicContact CB-CE2 3.81Å; A55-Y89 HydrophobicContact CB-CG 4.33Å; A55-Y89 PolarHBondContact N-OH 3Å
56A96.5Very high93.5Very high43 Ų4382.1 Ų82.136%0.35543%0.434SS..EExtended strand (participates in β ladder)trans-99.7140.4168.400000110.2T52 D75T52-A56 HydrophobicContact CG2-CB 4.46Å; A56-D75 HydrophobicContact CB-CB 4.33Å; A56-D75 PolarHBondContact N-O 2.92Å; A56-D75 PolarHBondContact O-N 3Å
57F96.5Very high93.2Very high102 Ų10278.3 Ų78.345%0.44742%0.417SS..EExtended strand (participates in β ladder)trans-110134.5176.8175-97.9000110.4E72 I73 W74F57-E72 HydrophobicContact CE2-CB 3.84Å; F57-E72 HydrophobicContact CE2-CG 4.12Å; F57-E72 HydrophobicContact CZ-CB 4.29Å; F57-E72 HydrophobicContact CZ-CG 4.09Å; F57-I73 WeakPolarHBondContact CA-O 3.23Å; F57-W74 HydrophobicContact CD2-CD2 4.16Å; F57-W74 AromaticContact CD2-CE2 3.7Å; F57-W74 HydrophobicContact CD2-CH2 4.48Å; F57-W74 AromaticContact CD2-CZ2 3.9Å; F57-W74 HydrophobicContact CD2-CZ2 3.9Å; F57-W74 AromaticContact CD2-NE1 3.81Å; F57-W74 HydrophobicContact CE2-CZ2 4.35Å; F57-W74 AromaticContact CE2-NE1 3.94Å
58L97Very high93.2Very high44 Ų4474.1 Ų74.123%0.2340%0.399CS..EExtended strand (participates in β ladder)trans-150.1167.5167.461.189.1000111.7V37 A41 I73V37-L58 HydrophobicContact CB-CD2 4.5Å; V37-L58 HydrophobicContact CG1-CD1 3.66Å; V37-L58 HydrophobicContact CG1-CD2 3.2Å; V37-L58 HydrophobicContact CG1-CG 3.71Å; A41-L58 HydrophobicContact CB-CD1 3.67Å; A41-L58 HydrophobicContact CB-CD2 4.35Å; L58-I73 HydrophobicContact CD1-CB 3.93Å; L58-I73 HydrophobicContact CD1-CD1 3.84Å; L58-I73 HydrophobicContact CD1-CG1 4.26Å; L58-I73 HydrophobicContact CD1-CG2 4.5Å; L58-I73 HydrophobicContact CG-CB 4.28Å; L58-I73 PolarHBondContact N-O 3.42Å; L58-I73 PolarHBondContact O-N 2.79Å
59T97.3Very high93.5Very high57 Ų5763.9 Ų63.935%0.3536%0.359SS..EExtended strand (participates in β ladder)trans-121.7135.1177-54.10000110.4K70 F71T59-K70 HydrophobicContact CG2-CD 3.89Å; T59-K70 HydrophobicContact CG2-CG 3.41Å; T59-K70 VanDerWaalsContact CG2-CG 3.41Å; T59-F71 VanDerWaalsContact CA-O 3.23Å; T59-F71 WeakPolarHBondContact CA-O 3.38Å; T59-F71 WeakPolarHBondContact CG2-O 3.26Å
60Q97.5Very high93.7Very high55 Ų5564.2 Ų64.226%0.25736%0.359SS..EExtended strand (participates in β ladder)trans-141.5142.8171.3178.360.3-55.800110.5F40 A41 F71 I73F40-Q60 HydrophobicContact CD1-CB 4.01Å; F40-Q60 HydrophobicContact CD1-CG 3.74Å; F40-Q60 HydrophobicContact CD2-CG 4.47Å; F40-Q60 HydrophobicContact CE1-CB 3.56Å; F40-Q60 HydrophobicContact CE1-CG 3.25Å; F40-Q60 HydrophobicContact CE2-CG 4.06Å; F40-Q60 HydrophobicContact CG-CG 4.32Å; F40-Q60 HydrophobicContact CZ-CB 4.18Å; F40-Q60 HydrophobicContact CZ-CG 3.42Å; F40-Q60 VanDerWaalsContact CZ-CG 3.42Å; F40-Q60 PolarHBondContact O-NE2 3.04Å; F40-Q60 VanDerWaalsContact O-NE2 3.1Å; A41-Q60 HydrophobicContact CB-CB 4.36Å; A41-Q60 PolarHBondContact O-NE2 3.14Å; Q60-F71 PolarHBondContact N-O 3.06Å; Q60-F71 VanDerWaalsContact N-O 3.14Å; Q60-F71 WeakPolarHBondContact O-CB 3.34Å; Q60-F71 PolarHBondContact O-N 2.8Å; Q60-I73 HydrophobicContact CB-CD1 4.19Å
61S96.2Very high94Very high49 Ų4956.3 Ų56.334%0.34332%0.322SS..EExtended strand (participates in β ladder)trans-105.3144-179.8-54.60000111.9V69S61-V69 CarbonylContact C-O 3.5Å; S61-V69 VanDerWaalsContact CA-O 3.26Å; S61-V69 WeakPolarHBondContact CA-O 3.32Å
62V96.1Very high94.1Very high9 Ų955.7 Ų55.76%0.05531%0.31CS..EExtended strand (participates in β ladder)trans-110.2117.1167.6179.70000107.6F40 M64 V69 F71 F174 Q175F40-V62 HydrophobicContact CE2-CG2 4.12Å; F40-V62 HydrophobicContact CZ-CG2 3.63Å; V62-M64 HydrophobicContact CG1-CE 3.93Å; V62-M64 HydrophobicContact CG1-CG 4.36Å; V62-V69 PolarHBondContact N-O 2.98Å; V62-V69 PolarHBondContact O-N 3.2Å; V62-F71 HydrophobicContact CG2-CD2 4.11Å; V62-F71 HydrophobicContact CG2-CE2 3.8Å; V62-F174 HydrophobicContact CG2-CB 4.32Å; V62-Q175 HydrophobicContact CG1-CG 3.7Å
63C92.7Very high94.4Very high103 Ų10354.5 Ų54.570%0.69630%0.303SS*.EExtended strand (participates in β ladder)trans-83.4129.6172.9-59.80000109.7
64M88.7Confident94.7Very high37 Ų3751.7 Ų51.718%0.18228%0.284CS..  trans-120.7167.3171.2-59.2-175.5170.700108.5V62 D66 M67 A178 K179V62-M64 HydrophobicContact CG1-CE 3.93Å; V62-M64 HydrophobicContact CG1-CG 4.36Å; M64-D66 VanDerWaalsContact C-N 3.26Å; M64-D66 PolarHBondContact O-N 2.99Å; M64-D66 VanDerWaalsContact O-N 3.12Å; M64-M67 CarbonylContact C-O 3.58Å; M64-M67 WeakPolarHBondContact CA-O 3.14Å; M64-M67 HydrophobicContact CB-CG 3.89Å; M64-M67 WeakPolarHBondContact CB-O 3.49Å; M64-M67 PolarHBondContact N-O 3.39Å; M64-M67 PolarHBondContact O-N 3.01Å; M64-M67 HydrophobicContact SD-CG 4.39Å; M64-M67 HydrophobicContact SD-SD 4.48Å; M64-A178 HydrophobicContact CE-CB 3.19Å; M64-A178 HydrophobicContact SD-CB 4.42Å; M64-K179 HydrophobicContact CE-CG 3.78Å; M64-K179 HydrophobicContact SD-CG 4.23Å
65D84.6Confident95Very high178 Ų17851.5 Ų51.595%0.95228%0.28SS*.SBendtrans-55-36.8-168.1-61.1-35000114.3
66D86.2Confident95.1Very high111 Ų11150.3 Ų50.359%0.59427%0.27SS*.SBendtrans-118.5-4.1-176.166-24.7000113.9K17 M64K17-D66 PolarHBondContact N-O 2.86Å; M64-D66 VanDerWaalsContact C-N 3.26Å; M64-D66 PolarHBondContact O-N 2.99Å; M64-D66 VanDerWaalsContact O-N 3.12Å
67M91.1Very high95Very high8 Ų848.7 Ų48.74%0.03926%0.257CS..EExtended strand (participates in β ladder)trans-152.3157.7-171.565.7-179-75.400113.4K17 F19 M64 V69 K183K17-M67 HydrophobicContact CB-CB 4.35Å; K17-M67 CarbonylContact O-C 3.46Å; K17-M67 WeakPolarHBondContact O-CA 3.29Å; K17-M67 WeakPolarHBondContact O-CB 3.41Å; F19-M67 HydrophobicContact CB-CE 4.41Å; F19-M67 HydrophobicContact CD2-CB 4.21Å; F19-M67 HydrophobicContact CD2-CE 3.22Å; F19-M67 HydrophobicContact CD2-SD 4.36Å; F19-M67 HydrophobicContact CE2-CB 4.06Å; F19-M67 HydrophobicContact CE2-CE 3.6Å; F19-M67 HydrophobicContact CE2-SD 4.21Å; F19-M67 HydrophobicContact CG-CE 3.98Å; M64-M67 CarbonylContact C-O 3.58Å; M64-M67 WeakPolarHBondContact CA-O 3.14Å; M64-M67 HydrophobicContact CB-CG 3.89Å; M64-M67 WeakPolarHBondContact CB-O 3.49Å; M64-M67 PolarHBondContact N-O 3.39Å; M64-M67 PolarHBondContact O-N 3.01Å; M64-M67 HydrophobicContact SD-CG 4.39Å; M64-M67 HydrophobicContact SD-SD 4.48Å; M67-V69 HydrophobicContact CE-CG2 3.3Å; M67-K183 HydrophobicContact CE-CD 4.33Å; M67-K183 HydrophobicContact CE-CG 3.5Å; M67-K183 VanDerWaalsContact CE-CG 3.5Å; M67-K183 HydrophobicContact SD-CD 4.16Å; M67-K183 HydrophobicContact SD-CG 3.69Å
68T94.7Very high94.5Very high26 Ų2644.5 Ų44.516%0.1624%0.243CC..EExtended strand (participates in β ladder)trans-117.1123.9169.7-60.60000109K17 I18 F19K17-T68 PolarHBondContact O-N 3.04Å; I18-T68 CarbonylContact C-O 3.57Å; I18-T68 WeakPolarHBondContact CA-O 3.34Å; F19-T68 PolarHBondContact N-O 3.1Å
69V96.4Very high94.3Very high0 Ų044.1 Ų44.10%024%0.24CC..EExtended strand (participates in β ladder)trans-96.3113.2170.8171.40000108.8F21 S61 V62 M67 F71 A178F21-V69 HydrophobicContact CD2-CG1 3.78Å; F21-V69 HydrophobicContact CE2-CG1 4.37Å; F21-V69 HydrophobicContact CE2-CG2 4.4Å; S61-V69 CarbonylContact C-O 3.5Å; S61-V69 VanDerWaalsContact CA-O 3.26Å; S61-V69 WeakPolarHBondContact CA-O 3.32Å; V62-V69 PolarHBondContact N-O 2.98Å; V62-V69 PolarHBondContact O-N 3.2Å; M67-V69 HydrophobicContact CE-CG2 3.3Å; V69-F71 HydrophobicContact CG1-CD1 4.16Å; V69-F71 HydrophobicContact CG1-CD2 4.21Å; V69-F71 HydrophobicContact CG1-CE1 3.84Å; V69-F71 HydrophobicContact CG1-CE2 3.9Å; V69-F71 HydrophobicContact CG1-CG 4.34Å; V69-F71 HydrophobicContact CG1-CZ 3.71Å; V69-A178 HydrophobicContact CB-CB 3.91Å; V69-A178 HydrophobicContact CG1-CB 3.91Å; V69-A178 HydrophobicContact CG2-CB 3.89Å
70K97.2Very high93.8Very high88 Ų8847.7 Ų47.738%0.38325%0.253SS..EExtended strand (participates in β ladder)trans-93.2116.2172.5-173.6172.3176.2-177.70108.8F19 L20 F21 T59F19-K70 PolarHBondContact O-N 3.24Å; L20-K70 WeakPolarHBondContact CA-O 3.36Å; L20-K70 HydrophobicContact CD1-CB 3.89Å; L20-K70 HydrophobicContact CD1-CD 3.87Å; L20-K70 HydrophobicContact CD1-CG 3.72Å; F21-K70 PolarHBondContact N-O 3Å; T59-K70 HydrophobicContact CG2-CD 3.89Å; T59-K70 HydrophobicContact CG2-CG 3.41Å; T59-K70 VanDerWaalsContact CG2-CG 3.41Å
71F98.4Very high93.5Very high0 Ų053 Ų530%027%0.27CS..EExtended strand (participates in β ladder)trans-91.2127.3175.6-72.4-62.5000111.5F21 L23 F40 T59 Q60 V62 V69 I73 F174 I177 A178 L181F21-F71 HydrophobicContact CB-CD1 4.24Å; F21-F71 HydrophobicContact CB-CE1 4.36Å; F21-F71 CarbonylContact O-C 3.49Å; F21-F71 WeakPolarHBondContact O-CA 3.32Å; L23-F71 HydrophobicContact CB-CD1 3.89Å; L23-F71 HydrophobicContact CB-CE1 4.43Å; L23-F71 HydrophobicContact CD1-CD1 3.83Å; L23-F71 HydrophobicContact CD1-CE1 3.77Å; L23-F71 HydrophobicContact CD1-CG 4.29Å; L23-F71 HydrophobicContact CD1-CZ 4.18Å; F40-F71 HydrophobicContact CE1-CD2 4.42Å; F40-F71 HydrophobicContact CZ-CD2 4.5Å; T59-F71 VanDerWaalsContact CA-O 3.23Å; T59-F71 WeakPolarHBondContact CA-O 3.38Å; T59-F71 WeakPolarHBondContact CG2-O 3.26Å; Q60-F71 PolarHBondContact N-O 3.06Å; Q60-F71 VanDerWaalsContact N-O 3.14Å; Q60-F71 WeakPolarHBondContact O-CB 3.34Å; Q60-F71 PolarHBondContact O-N 2.8Å; V62-F71 HydrophobicContact CG2-CD2 4.11Å; V62-F71 HydrophobicContact CG2-CE2 3.8Å; V69-F71 HydrophobicContact CG1-CD1 4.16Å; V69-F71 HydrophobicContact CG1-CD2 4.21Å; V69-F71 HydrophobicContact CG1-CE1 3.84Å; V69-F71 HydrophobicContact CG1-CE2 3.9Å; V69-F71 HydrophobicContact CG1-CG 4.34Å; V69-F71 HydrophobicContact CG1-CZ 3.71Å; F71-I73 HydrophobicContact CB-CD1 4.04Å; F71-I73 HydrophobicContact CB-CG1 3.63Å; F71-F174 HydrophobicContact CD2-CD1 4.24Å; F71-F174 HydrophobicContact CE2-CB 4.19Å; F71-F174 HydrophobicContact CE2-CD1 4.24Å; F71-I177 HydrophobicContact CE1-CG2 4.07Å; F71-I177 HydrophobicContact CZ-CB 4.39Å; F71-I177 HydrophobicContact CZ-CG2 3.95Å; F71-A178 HydrophobicContact CE2-CB 4.03Å; F71-A178 HydrophobicContact CZ-CB 3.73Å; F71-L181 HydrophobicContact CE1-CD1 3.67Å; F71-L181 HydrophobicContact CZ-CD1 4.23Å
72E98.3Very high93.4Very high64 Ų6453.2 Ų53.230%0.29926%0.264SS..EExtended strand (participates in β ladder)trans-88.195.9161.2-74.3-172.5141.600108.5L20 F21 K22 L23 F57L20-E72 HydrophobicContact CD1-CG 3.8Å; L20-E72 HydrophobicContact CG-CG 4.25Å; F21-E72 PolarHBondContact O-N 2.91Å; K22-E72 WeakPolarHBondContact CA-O 3.49Å; L23-E72 PolarHBondContact N-O 2.97Å; L23-E72 VanDerWaalsContact O-O 3.12Å; F57-E72 HydrophobicContact CE2-CB 3.84Å; F57-E72 HydrophobicContact CE2-CG 4.12Å; F57-E72 HydrophobicContact CZ-CB 4.29Å; F57-E72 HydrophobicContact CZ-CG 4.09Å
73I98.6Very high93Very high0 Ų057.1 Ų57.10%028%0.281CS..EExtended strand (participates in β ladder)trans-92.6123.1-170.4-56.3178.7000109.9L23 L25 V37 F40 F57 L58 Q60 F71 F174L23-I73 HydrophobicContact CD2-CG2 4.22Å; L23-I73 CarbonylContact O-C 3.47Å; L23-I73 WeakPolarHBondContact O-CA 3.4Å; L25-I73 HydrophobicContact CD1-CG2 3.39Å; V37-I73 HydrophobicContact CG1-CG2 3.86Å; V37-I73 HydrophobicContact CG2-CG2 3.95Å; F40-I73 HydrophobicContact CD1-CD1 3.78Å; F40-I73 HydrophobicContact CE1-CD1 3.77Å; F57-I73 WeakPolarHBondContact CA-O 3.23Å; L58-I73 HydrophobicContact CD1-CB 3.93Å; L58-I73 HydrophobicContact CD1-CD1 3.84Å; L58-I73 HydrophobicContact CD1-CG1 4.26Å; L58-I73 HydrophobicContact CD1-CG2 4.5Å; L58-I73 HydrophobicContact CG-CB 4.28Å; L58-I73 PolarHBondContact N-O 3.42Å; L58-I73 PolarHBondContact O-N 2.79Å; Q60-I73 HydrophobicContact CB-CD1 4.19Å; F71-I73 HydrophobicContact CB-CD1 4.04Å; F71-I73 HydrophobicContact CB-CG1 3.63Å; I73-F174 HydrophobicContact CD1-CE1 3.93Å; I73-F174 HydrophobicContact CD1-CZ 4.5Å
74W98.3Very high93Very high71 Ų7156.9 Ų56.927%0.26928%0.281SS..EExtended strand (participates in β ladder)trans-105.9101.5172.8-68.181.3000109.4L23 V24 L25 A55 F57 Y89L23-W74 PolarHBondContact O-N 3.41Å; V24-W74 WeakPolarHBondContact CA-O 3.48Å; V24-W74 HydrophobicContact CB-CB 4.39Å; V24-W74 HydrophobicContact CG2-CB 4.18Å; L25-W74 PolarHBondContact N-O 3.25Å; A55-W74 HydrophobicContact CB-CE3 4.26Å; F57-W74 HydrophobicContact CD2-CD2 4.16Å; F57-W74 AromaticContact CD2-CE2 3.7Å; F57-W74 HydrophobicContact CD2-CH2 4.48Å; F57-W74 AromaticContact CD2-CZ2 3.9Å; F57-W74 HydrophobicContact CD2-CZ2 3.9Å; F57-W74 AromaticContact CD2-NE1 3.81Å; F57-W74 HydrophobicContact CE2-CZ2 4.35Å; F57-W74 AromaticContact CE2-NE1 3.94Å; W74-Y89 HydrophobicContact CD2-CD1 4.37Å; W74-Y89 AromaticContact CE3-CD1 3.56Å; W74-Y89 HydrophobicContact CE3-CD1 3.56Å; W74-Y89 AromaticContact CE3-CE1 3.88Å; W74-Y89 HydrophobicContact CE3-CE1 3.88Å; W74-Y89 AromaticContact CZ3-CD1 3.93Å; W74-Y89 HydrophobicContact CZ3-CD1 3.93Å; W74-Y89 AromaticContact CZ3-CE1 3.89Å; W74-Y89 HydrophobicContact CZ3-CE1 3.89Å
75D97.8Very high93.3Very high7 Ų757.8 Ų57.84%0.03729%0.286CS..EExtended strand (participates in β ladder)trans-84.5106.8171.8175.940.1000109.5K33 S34 V37 T52 A55 A56K33-D75 VanDerWaalsContact CB-OD1 3.31Å; K33-D75 WeakPolarHBondContact CB-OD1 3.33Å; S34-D75 WeakPolarHBondContact CA-OD2 3.16Å; S34-D75 WeakPolarHBondContact CB-OD2 3.32Å; S34-D75 PolarHBondContact N-OD1 2.9Å; S34-D75 PolarHBondContact OG-OD1 3.1Å; S34-D75 PolarHBondContact OG-OD2 3.31Å; V37-D75 HydrophobicContact CG2-CB 4.27Å; T52-D75 PolarHBondContact OG1-OD2 3.45Å; A55-D75 CarbonylContact C-O 3.53Å; A55-D75 WeakPolarHBondContact CA-O 3.07Å; A55-D75 WeakPolarHBondContact CB-O 3.44Å; A56-D75 HydrophobicContact CB-CB 4.33Å; A56-D75 PolarHBondContact N-O 2.92Å; A56-D75 PolarHBondContact O-N 3Å
76T96.2Very high93.7Very high4 Ų449.6 Ų49.63%0.02524%0.243CC..EExtended strand (participates in β ladder)trans-88.2152.2-176.475.50000112.2V24 L25 L26 K33 A55 Y89V24-T76 HydrophobicContact CG2-CG2 3.7Å; L25-T76 WeakPolarHBondContact O-CG2 3.48Å; L25-T76 PolarHBondContact O-OG1 2.89Å; L26-T76 HydrophobicContact CD2-CG2 4.1Å; K33-T76 WeakPolarHBondContact CE-O 3.31Å; A55-T76 HydrophobicContact CB-CG2 4.48Å; T76-Y89 HydrophobicContact CG2-CD2 3.68Å; T76-Y89 HydrophobicContact CG2-CE2 4.49Å; T76-Y89 HydrophobicContact CG2-CG 3.89Å
77A94.4Very high94.2Very high9 Ų946.5 Ų46.57%0.07423%0.229CC..  trans-60.5141.4165.200000110.3T52 G54 Y82T52-A77 WeakPolarHBondContact O-CB 3.34Å; G54-A77 VanDerWaalsContact O-CB 3.27Å; G54-A77 WeakPolarHBondContact O-CB 3.27Å; G54-A77 PolarHBondContact O-N 3.1Å; A77-Y82 HydrophobicContact CB-CD2 3.43Å; A77-Y82 VanDerWaalsContact CB-CD2 3.43Å; A77-Y82 HydrophobicContact CB-CE2 4.2Å; A77-Y82 HydrophobicContact CB-CG 3.93Å
78G88Confident94.4Very high15 Ų1552.5 Ų52.516%0.15526%0.258CS..  trans-96.6-4.5175.900000114.5G27 S29G27-G78 WeakPolarHBondContact O-CA 3.25Å; S29-G78 PolarHBondContact N-O 2.81Å
79Q91.6Very high94.5Very high35 Ų3552.9 Ų52.916%0.16426%0.257CS..SBendtrans-72.8143.5-179.6-63.5173.656.200110.8R81 Y82Q79-R81 PolarHBondContact O-N 3.36Å; Q79-Y82 HydrophobicContact CB-CD2 3.98Å; Q79-Y82 HydrophobicContact CB-CE2 4.39Å; Q79-Y82 PolarHBondContact O-N 3.12Å
80E87.3Confident94.5Very high133 Ų13353.1 Ų53.162%0.62126%0.258SS*.G310 helixtrans-56.3-36.3-178.570.9-65155.200113Y82 H83E80-Y82 PolarHBondContact O-N 2.77Å; E80-Y82 VanDerWaalsContact O-N 3.1Å; E80-H83 VanDerWaalsContact O-CB 3.23Å; E80-H83 WeakPolarHBondContact O-CB 3.13Å; E80-H83 PolarHBondContact O-N 3.05Å
81R91.8Very high94.5Very high166 Ų16658.2 Ų58.263%0.62628%0.275SS*.G310 helixtrans-62-18.7177.8-66.5-177.6-65146.72.8113.6Q79Q79-R81 PolarHBondContact O-N 3.36Å
82Y92.1Very high94.4Very high54 Ų5459.8 Ų59.821%0.21229%0.291CS..G310 helixtrans-105.50.4176.2-57.1-60.3000113.3I53 A77 Q79 E80 S84 L85I53-Y82 HydrophobicContact CG2-CE1 4.46Å; A77-Y82 HydrophobicContact CB-CD2 3.43Å; A77-Y82 VanDerWaalsContact CB-CD2 3.43Å; A77-Y82 HydrophobicContact CB-CE2 4.2Å; A77-Y82 HydrophobicContact CB-CG 3.93Å; Q79-Y82 HydrophobicContact CB-CD2 3.98Å; Q79-Y82 HydrophobicContact CB-CE2 4.39Å; Q79-Y82 PolarHBondContact O-N 3.12Å; E80-Y82 PolarHBondContact O-N 2.77Å; E80-Y82 VanDerWaalsContact O-N 3.1Å; Y82-S84 VanDerWaalsContact C-N 3.27Å; Y82-S84 PolarHBondContact O-N 2.97Å; Y82-L85 HydrophobicContact CD1-CD1 4.03Å; Y82-L85 WeakPolarHBondContact O-CB 3.49Å; Y82-L85 PolarHBondContact O-N 3.18Å
83H89.7Confident94.4Very high90 Ų9056.7 Ų56.742%0.41728%0.277SS..G310 helixtrans-57.9-38.2-175.7-179.769.8000112.6E80 L85 A86 W114 E117E80-H83 VanDerWaalsContact O-CB 3.23Å; E80-H83 WeakPolarHBondContact O-CB 3.13Å; E80-H83 PolarHBondContact O-N 3.05Å; H83-L85 PolarHBondContact O-N 3.23Å; H83-L85 VanDerWaalsContact O-N 3.1Å; H83-A86 WeakPolarHBondContact O-CB 2.89Å; H83-A86 PolarHBondContact O-N 2.92Å; H83-W114 AromaticContact CE1-CH2 3.32Å; H83-W114 WeakPolarHBondContact CE1-CH2 3.45Å; H83-W114 AromaticContact CE1-CZ2 3.68Å; H83-W114 AromaticContact CE1-CZ3 3.77Å; H83-W114 AromaticContact ND1-CH2 3.05Å; H83-W114 WeakPolarHBondContact ND1-CH2 3.48Å; H83-W114 AromaticContact ND1-CZ2 3.22Å; H83-W114 WeakPolarHBondContact ND1-CZ2 3.41Å; H83-W114 AromaticContact ND1-CZ3 3.96Å; H83-E117 IonicContact CE1-OE2 2.7Å; H83-E117 IonicContact NE2-OE2 3.24Å
84S92.6Very high94.4Very high98 Ų9859.8 Ų59.869%0.68529%0.291SS*.G310 helixtrans-64-14.3177.4590000114.5Y82Y82-S84 VanDerWaalsContact C-N 3.27Å; Y82-S84 PolarHBondContact O-N 2.97Å
85L94.4Very high94.4Very high57 Ų5756.4 Ų56.430%0.29828%0.278SS..G310 helixtrans-86.2-18.4175.6-58.1177.3000112.6Y82 H83 P87 M88 Y89Y82-L85 HydrophobicContact CD1-CD1 4.03Å; Y82-L85 WeakPolarHBondContact O-CB 3.49Å; Y82-L85 PolarHBondContact O-N 3.18Å; H83-L85 PolarHBondContact O-N 3.23Å; H83-L85 VanDerWaalsContact O-N 3.1Å; L85-P87 VanDerWaalsContact C-CD 3.48Å; L85-M88 VanDerWaalsContact O-CB 3.28Å; L85-M88 WeakPolarHBondContact O-CB 3.32Å; L85-M88 PolarHBondContact O-N 3.37Å; L85-Y89 HydrophobicContact CB-CD2 4.37Å; L85-Y89 HydrophobicContact CB-CE2 3.73Å; L85-Y89 WeakPolarHBondContact O-CD2 3.05Å; L85-Y89 PolarHBondContact O-N 2.96Å
86A93.3Very high94.4Very high5 Ų556 Ų564%0.04128%0.276CS..Hα-helixtrans-55.4-40.7-175.900000114.2L26 H83 M88 Y89 Y90 W114L26-A86 HydrophobicContact CD2-CB 4.12Å; H83-A86 WeakPolarHBondContact O-CB 2.89Å; H83-A86 PolarHBondContact O-N 2.92Å; A86-M88 PolarHBondContact O-N 3.29Å; A86-Y89 PolarHBondContact O-N 2.74Å; A86-Y90 HydrophobicContact CB-CD1 4.46Å; A86-Y90 HydrophobicContact CB-CE1 4.38Å; A86-Y90 WeakPolarHBondContact O-CD1 3.22Å; A86-Y90 PolarHBondContact O-N 2.89Å; A86-W114 HydrophobicContact CB-CH2 3.3Å; A86-W114 HydrophobicContact CB-CZ3 3.47Å; A86-W114 VanDerWaalsContact CB-CZ3 3.47Å
87P95.7Very high94.6Very high47 Ų4756 Ų5631%0.30528%0.276SS..Hα-helixtrans-56.2-34.2174.8-2635.1000114.5L85 Y89 Y90 R91L85-P87 VanDerWaalsContact C-CD 3.48Å; P87-Y89 VanDerWaalsContact C-N 3.32Å; P87-Y89 PolarHBondContact O-N 3.46Å; P87-Y90 HydrophobicContact CB-CE1 4.18Å; P87-Y90 HydrophobicContact CB-CE2 4.4Å; P87-Y90 HydrophobicContact CG-CE1 4.15Å; P87-R91 WeakPolarHBondContact O-CB 3.36Å; P87-R91 PolarHBondContact O-N 3.41Å; P87-R91 VanDerWaalsContact O-N 3.12Å
88M96.3Very high94.8Very high133 Ų13355.6 Ų55.666%0.65527%0.272SS*.Hα-helixtrans-66-37.4175.5-173.3-175.3-67.300111.6L85 A86L85-M88 VanDerWaalsContact O-CB 3.28Å; L85-M88 WeakPolarHBondContact O-CB 3.32Å; L85-M88 PolarHBondContact O-N 3.37Å; A86-M88 PolarHBondContact O-N 3.29Å
89Y96.4Very high95.3Very high34 Ų3454.9 Ų54.913%0.13327%0.265CS..Hα-helixtrans-77.8-44.2-176.8-62.1-55.4000113K22 A55 W74 T76 L85 A86 P87 R91K22-Y89 WeakPolarHBondContact CE-O 2.95Å; K22-Y89 PolarHBondContact NZ-O 3.45Å; A55-Y89 HydrophobicContact CB-CD1 3.92Å; A55-Y89 HydrophobicContact CB-CD2 4.27Å; A55-Y89 HydrophobicContact CB-CE1 3.43Å; A55-Y89 VanDerWaalsContact CB-CE1 3.43Å; A55-Y89 HydrophobicContact CB-CE2 3.81Å; A55-Y89 HydrophobicContact CB-CG 4.33Å; A55-Y89 PolarHBondContact N-OH 3Å; W74-Y89 HydrophobicContact CD2-CD1 4.37Å; W74-Y89 AromaticContact CE3-CD1 3.56Å; W74-Y89 HydrophobicContact CE3-CD1 3.56Å; W74-Y89 AromaticContact CE3-CE1 3.88Å; W74-Y89 HydrophobicContact CE3-CE1 3.88Å; W74-Y89 AromaticContact CZ3-CD1 3.93Å; W74-Y89 HydrophobicContact CZ3-CD1 3.93Å; W74-Y89 AromaticContact CZ3-CE1 3.89Å; W74-Y89 HydrophobicContact CZ3-CE1 3.89Å; T76-Y89 HydrophobicContact CG2-CD2 3.68Å; T76-Y89 HydrophobicContact CG2-CE2 4.49Å; T76-Y89 HydrophobicContact CG2-CG 3.89Å; L85-Y89 HydrophobicContact CB-CD2 4.37Å; L85-Y89 HydrophobicContact CB-CE2 3.73Å; L85-Y89 WeakPolarHBondContact O-CD2 3.05Å; L85-Y89 PolarHBondContact O-N 2.96Å; A86-Y89 PolarHBondContact O-N 2.74Å; P87-Y89 VanDerWaalsContact C-N 3.32Å; P87-Y89 PolarHBondContact O-N 3.46Å; Y89-R91 VanDerWaalsContact C-N 3.33Å
90Y96.7Very high95.6Very high5 Ų553.2 Ų53.22%0.0226%0.257CS..Hα-helixtrans-80.1-13.4178.266.3-114.4000113.7L26 A86 P87 G92 A93 E117 L118 Q121 A122L26-Y90 HydrophobicContact CD1-CD1 4.09Å; A86-Y90 HydrophobicContact CB-CD1 4.46Å; A86-Y90 HydrophobicContact CB-CE1 4.38Å; A86-Y90 WeakPolarHBondContact O-CD1 3.22Å; A86-Y90 PolarHBondContact O-N 2.89Å; P87-Y90 HydrophobicContact CB-CE1 4.18Å; P87-Y90 HydrophobicContact CB-CE2 4.4Å; P87-Y90 HydrophobicContact CG-CE1 4.15Å; Y90-G92 PolarHBondContact O-N 3.33Å; Y90-G92 VanDerWaalsContact O-N 3.13Å; Y90-A93 VanDerWaalsContact O-CB 3.27Å; Y90-A93 WeakPolarHBondContact O-CB 3.23Å; Y90-A93 PolarHBondContact O-N 2.87Å; Y90-E117 HydrophobicContact CE1-CG 4.47Å; Y90-E117 VanDerWaalsContact CE1-OE1 3.29Å; Y90-E117 WeakPolarHBondContact CE1-OE1 3.39Å; Y90-E117 PolarHBondContact OH-OE1 3.32Å; Y90-E117 VanDerWaalsContact OH-OE1 3.06Å; Y90-L118 HydrophobicContact CD1-CD2 4.04Å; Y90-L118 HydrophobicContact CD2-CD2 4.28Å; Y90-L118 HydrophobicContact CG-CD2 3.82Å; Y90-Q121 HydrophobicContact CE2-CB 4.03Å; Y90-Q121 WeakPolarHBondContact OH-CB 3.48Å; Y90-Q121 PolarHBondContact OH-OE1 2.58Å; Y90-A122 HydrophobicContact CD2-CB 3.91Å; Y90-A122 HydrophobicContact CE2-CB 4.32Å
91R96.9Very high96.2Very high196 Ų19647.4 Ų47.474%0.7423%0.23SC*.THydrogen-bonded Turntrans-55.6121.8174.1179.3175.117981.11.2110.4K22 P87 Y89 A93K22-R91 PolarHBondContact NZ-O 3.3Å; P87-R91 WeakPolarHBondContact O-CB 3.36Å; P87-R91 PolarHBondContact O-N 3.41Å; P87-R91 VanDerWaalsContact O-N 3.12Å; Y89-R91 VanDerWaalsContact C-N 3.33Å; R91-A93 PolarHBondContact O-N 2.86Å
92G96.2Very high96.5Very high32 Ų3239.5 Ų39.533%0.3320%0.2SC..THydrogen-bonded Turntrans74.33.9-179.200000115.1Y90 Q94Y90-G92 PolarHBondContact O-N 3.33Å; Y90-G92 VanDerWaalsContact O-N 3.13Å; G92-Q94 PolarHBondContact O-NE2 2.9Å
93A98.2Very high96.8Very high0 Ų038.3 Ų38.30%020%0.199CC..  trans-70.1133.7173.500000110.3K22 V24 Y90 R91 I126K22-A93 HydrophobicContact CD-CB 4.32Å; K22-A93 HydrophobicContact CG-CB 4.11Å; V24-A93 HydrophobicContact CB-CB 4.47Å; V24-A93 HydrophobicContact CG1-CB 4.04Å; Y90-A93 VanDerWaalsContact O-CB 3.27Å; Y90-A93 WeakPolarHBondContact O-CB 3.23Å; Y90-A93 PolarHBondContact O-N 2.87Å; R91-A93 PolarHBondContact O-N 2.86Å; A93-I126 HydrophobicContact CB-CD1 4.36Å
94Q98.3Very high97.2Very high64 Ų6436.9 Ų36.930%0.29920%0.195SC..SBendtrans-88.1-18.9175.6-60.383.25.400111.8F21 K22 G92 V127 L181F21-Q94 HydrophobicContact CD1-CB 3.93Å; F21-Q94 HydrophobicContact CD1-CG 3.89Å; K22-Q94 PolarHBondContact O-N 3.32Å; K22-Q94 PolarHBondContact O-OE1 2.89Å; G92-Q94 PolarHBondContact O-NE2 2.9Å; Q94-V127 PolarHBondContact O-N 2.85Å; Q94-L181 HydrophobicContact CB-CD2 3.65Å; Q94-L181 WeakPolarHBondContact O-CD2 3.47Å
95A98.6Very high97.5Very high0 Ų035 Ų350%018%0.175CC..EExtended strand (participates in β ladder)trans-137.5151.817300000112.3K22 L23 V24 V127 I177 L181K22-A95 PolarHBondContact O-N 3.45Å; L23-A95 WeakPolarHBondContact CA-O 3.47Å; L23-A95 HydrophobicContact CB-CB 4.42Å; L23-A95 HydrophobicContact CD1-CB 4.19Å; L23-A95 HydrophobicContact CG-CB 4.16Å; V24-A95 PolarHBondContact N-O 3.41Å; V24-A95 VanDerWaalsContact N-O 3.1Å; A95-V127 CarbonylContact C-O 3.59Å; A95-V127 WeakPolarHBondContact CA-O 3.48Å; A95-V127 HydrophobicContact CB-CB 4.35Å; A95-I177 HydrophobicContact CB-CG2 3.4Å; A95-I177 VanDerWaalsContact CB-CG2 3.4Å; A95-L181 HydrophobicContact CB-CD1 4.37Å; A95-L181 HydrophobicContact CB-CD2 4.32Å
96A98.7Very high97.7Very high0 Ų038.1 Ų38.10%019%0.188CC..EExtended strand (participates in β ladder)trans-133.4142.4169.700000110.4V24 L118 I126 V127 I128 A129V24-A96 HydrophobicContact CG1-CB 3.75Å; V24-A96 CarbonylContact O-C 3.45Å; V24-A96 VanDerWaalsContact O-CA 3.25Å; V24-A96 WeakPolarHBondContact O-CA 3.28Å; A96-L118 HydrophobicContact CB-CD1 3.53Å; A96-L118 HydrophobicContact CB-CD2 4.27Å; A96-I126 HydrophobicContact CB-CD1 3.89Å; A96-V127 PolarHBondContact N-O 2.84Å; A96-I128 WeakPolarHBondContact O-CA 3.3Å; A96-A129 PolarHBondContact O-N 2.97Å
97I98.9Very high98Very high3 Ų338 Ų382%0.01519%0.186CC..EExtended strand (participates in β ladder)trans-110.9114.3165.8-52.4178.8000107.5L23 V24 L25 L26 V99 A129 A131 I173 F174 I177L23-I97 HydrophobicContact CD1-CD1 4.24Å; L23-I97 HydrophobicContact CD1-CG1 4.39Å; L23-I97 HydrophobicContact CD2-CD1 4.05Å; L23-I97 HydrophobicContact CD2-CG1 4.11Å; V24-I97 PolarHBondContact O-N 3.1Å; L25-I97 CarbonylContact C-O 3.53Å; L25-I97 WeakPolarHBondContact CA-O 3.2Å; L25-I97 HydrophobicContact CG-CB 4.22Å; L26-I97 PolarHBondContact N-O 3.4Å; I97-V99 HydrophobicContact CG2-CG2 3.85Å; I97-A129 CarbonylContact C-O 3.46Å; I97-A129 VanDerWaalsContact CA-O 3.32Å; I97-A129 WeakPolarHBondContact CA-O 3.25Å; I97-A129 HydrophobicContact CG1-CB 4.43Å; I97-A131 HydrophobicContact CG2-CB 3.79Å; I97-I173 HydrophobicContact CG2-CD1 4.02Å; I97-F174 HydrophobicContact CD1-CD1 4.14Å; I97-F174 HydrophobicContact CD1-CE1 3.62Å; I97-F174 HydrophobicContact CD1-CE2 4.32Å; I97-F174 HydrophobicContact CD1-CZ 3.71Å; I97-I177 HydrophobicContact CD1-CD1 3.68Å; I97-I177 HydrophobicContact CG1-CD1 3.49Å; I97-I177 VanDerWaalsContact CG1-CD1 3.49Å
98V98.8Very high98.1Very high0 Ų035.7 Ų35.70%017%0.172CC..EExtended strand (participates in β ladder)trans-92.8117.1172-174.90000107.9L26 A111 W114 V115 L118 I128 A129 L130 A131L26-V98 WeakPolarHBondContact O-CA 3.41Å; V98-A111 HydrophobicContact CG1-CB 3.65Å; V98-W114 HydrophobicContact CG1-CB 3.76Å; V98-W114 HydrophobicContact CG2-CB 4.28Å; V98-V115 HydrophobicContact CB-CG2 4.3Å; V98-V115 HydrophobicContact CG1-CG2 4.35Å; V98-V115 HydrophobicContact CG2-CG2 4.05Å; V98-L118 HydrophobicContact CG2-CD1 3.7Å; V98-I128 HydrophobicContact CG2-CG2 4.08Å; V98-A129 PolarHBondContact N-O 3.2Å; V98-L130 HydrophobicContact CB-CD1 4.36Å; V98-L130 HydrophobicContact CG1-CD1 4.4Å; V98-L130 WeakPolarHBondContact O-CA 3.19Å; V98-A131 PolarHBondContact O-N 2.93Å
99V98.9Very high98.2Very high0 Ų032.8 Ų32.80%016%0.161CC..EExtended strand (participates in β ladder)trans-106.9134.2-173.6-169.80000110.2L25 L26 G27 V31 K33 L36 I97 A131 N133L25-V99 HydrophobicContact CD2-CG2 4.34Å; L26-V99 PolarHBondContact O-N 3.34Å; G27-V99 WeakPolarHBondContact CA-O 3.18Å; V31-V99 HydrophobicContact CB-CG1 4.23Å; V31-V99 HydrophobicContact CG2-CB 3.85Å; V31-V99 HydrophobicContact CG2-CG1 3.77Å; K33-V99 HydrophobicContact CG-CB 3.98Å; K33-V99 HydrophobicContact CG-CG2 3.95Å; L36-V99 HydrophobicContact CD1-CG1 3.91Å; L36-V99 HydrophobicContact CD1-CG2 4.01Å; I97-V99 HydrophobicContact CG2-CG2 3.85Å; V99-A131 WeakPolarHBondContact CA-O 3.43Å; V99-A131 HydrophobicContact CG1-CB 4.49Å; V99-A131 HydrophobicContact CG2-CB 4.29Å; V99-N133 HydrophobicContact CG1-CB 3.74Å
100Y98.9Very high98.3Very high0 Ų034.8 Ų34.80%017%0.171CC..EExtended strand (participates in β ladder)trans-125.8165.3165.572.6-84.5000110.2V102 F108 L130 A131 N133 V143 A148 F159Y100-V102 HydrophobicContact CE2-CG1 4.1Å; Y100-F108 AromaticContact CD1-CD2 3.8Å; Y100-F108 HydrophobicContact CD1-CD2 3.8Å; Y100-F108 HydrophobicContact CD1-CE2 4.45Å; Y100-F108 HydrophobicContact CD2-CB 3.81Å; Y100-F108 HydrophobicContact CD2-CD2 4Å; Y100-F108 HydrophobicContact CD2-CG 4.24Å; Y100-F108 AromaticContact CE1-CD2 3.88Å; Y100-F108 HydrophobicContact CE1-CD2 3.88Å; Y100-F108 HydrophobicContact CE1-CE2 4.19Å; Y100-F108 HydrophobicContact CE2-CB 4.36Å; Y100-F108 HydrophobicContact CE2-CD2 4.09Å; Y100-F108 HydrophobicContact CE2-CG 4.4Å; Y100-F108 HydrophobicContact CG-CB 4.1Å; Y100-F108 AromaticContact CG-CD2 3.87Å; Y100-F108 HydrophobicContact CG-CD2 3.87Å; Y100-F108 HydrophobicContact CG-CG 4.43Å; Y100-L130 HydrophobicContact CD1-CD1 3.87Å; Y100-L130 HydrophobicContact CD1-CG 4.27Å; Y100-L130 HydrophobicContact CE1-CD1 4.11Å; Y100-L130 HydrophobicContact CE1-CD2 4.34Å; Y100-L130 HydrophobicContact CE1-CG 4Å; Y100-A131 WeakPolarHBondContact CD1-O 3.46Å; Y100-A131 PolarHBondContact N-O 3.26Å; Y100-N133 PolarHBondContact O-N 2.95Å; Y100-V143 HydrophobicContact CD2-CG2 4.21Å; Y100-V143 HydrophobicContact CE2-CB 3.95Å; Y100-V143 HydrophobicContact CE2-CG1 3.77Å; Y100-V143 HydrophobicContact CE2-CG2 4.04Å; Y100-A148 HydrophobicContact CE1-CB 4.4Å; Y100-A148 WeakPolarHBondContact OH-CB 3.36Å; Y100-F159 HydrophobicContact CE1-CE2 4.25Å
101D98.7Very high98.4Very high11 Ų1134.6 Ų34.66%0.05917%0.17CC..EExtended strand (participates in β ladder)trans-98.7123.2175178-5.8000109.1V31 T103 N104 S107 K134V31-D101 HydrophobicContact CB-CB 4.34Å; V31-D101 HydrophobicContact CG1-CB 4.26Å; D101-T103 PolarHBondContact O-N 3.36Å; D101-T103 VanDerWaalsContact O-N 3.08Å; D101-T103 PolarHBondContact OD1-N 3.25Å; D101-T103 PolarHBondContact OD1-OG1 3.34Å; D101-T103 VanDerWaalsContact OD1-OG1 3.06Å; D101-T103 PolarHBondContact OD2-OG1 2.92Å; D101-N104 HydrophobicContact CB-CB 4.07Å; D101-N104 PolarHBondContact O-N 3.02Å; D101-S107 PolarHBondContact N-OG 3.4Å; D101-S107 PolarHBondContact O-OG 3.48Å; D101-K134 WeakPolarHBondContact OD2-CD 3.42Å; D101-K134 VanDerWaalsContact OD2-CE 3.26Å; D101-K134 WeakPolarHBondContact OD2-CE 3.42Å; D101-K134 IonicContact OD2-NZ 3.95Å; D101-K134 PolarHBondContact OD2-NZ 3.39Å
102V98.8Very high98.5Very high0 Ų027.7 Ų27.70%015%0.145CC..THydrogen-bonded Turntrans-61.3-19.1-179.2-59.50000113.1Y100 N133 K134 M142 V143 E161Y100-V102 HydrophobicContact CE2-CG1 4.1Å; V102-N133 WeakPolarHBondContact CG1-O 3.48Å; V102-N133 WeakPolarHBondContact CG2-O 3.46Å; V102-N133 PolarHBondContact N-O 3.21Å; V102-K134 WeakPolarHBondContact CG2-O 3.32Å; V102-M142 PolarHBondContact O-N 2.79Å; V102-V143 PolarHBondContact O-N 3.36Å; V102-E161 HydrophobicContact CG1-CG 4.48Å
103T98.6Very high98.6Very high29 Ų2930.1 Ų30.118%0.17815%0.151CC..THydrogen-bonded Turntrans-93.49.9176.379.80000113D101 L137 K140D101-T103 PolarHBondContact O-N 3.36Å; D101-T103 VanDerWaalsContact O-N 3.08Å; D101-T103 PolarHBondContact OD1-N 3.25Å; D101-T103 PolarHBondContact OD1-OG1 3.34Å; D101-T103 VanDerWaalsContact OD1-OG1 3.06Å; D101-T103 PolarHBondContact OD2-OG1 2.92Å; T103-L137 HydrophobicContact CG2-CB 3.6Å; T103-L137 HydrophobicContact CG2-CD1 4.12Å; T103-K140 WeakPolarHBondContact CA-O 3.45Å; T103-K140 WeakPolarHBondContact CB-O 3.31Å; T103-K140 HydrophobicContact CG2-CB 3.71Å; T103-K140 WeakPolarHBondContact CG2-O 3.48Å
104N98.4Very high98.5Very high61 Ų6131.1 Ų31.133%0.32616%0.155SC..  trans-141.1102.4-177.8-177.1-22.1000111.4D101 E106 S107 F108D101-N104 HydrophobicContact CB-CB 4.07Å; D101-N104 PolarHBondContact O-N 3.02Å; N104-E106 VanDerWaalsContact C-N 3.32Å; N104-E106 PolarHBondContact O-N 3.22Å; N104-E106 WeakPolarHBondContact OD1-CB 3.38Å; N104-E106 PolarHBondContact OD1-N 3.1Å; N104-S107 WeakPolarHBondContact O-CB 3.2Å; N104-S107 PolarHBondContact O-N 2.89Å; N104-S107 PolarHBondContact O-OG 3.43Å; N104-S107 PolarHBondContact OD1-N 2.82Å; N104-F108 PolarHBondContact O-N 2.93Å
105Q98.3Very high98.6Very high58 Ų5828.1 Ų28.127%0.27114%0.141SC..Hα-helixtrans-59.9-38.5179.2-168.666.226.800113.1S107 F108 T109 M142Q105-S107 VanDerWaalsContact C-N 3.29Å; Q105-S107 PolarHBondContact O-N 3.34Å; Q105-F108 WeakPolarHBondContact O-CB 3.27Å; Q105-F108 PolarHBondContact O-N 3.32Å; Q105-F108 VanDerWaalsContact O-N 3.14Å; Q105-T109 PolarHBondContact O-N 3.19Å; Q105-T109 VanDerWaalsContact O-N 3.07Å; Q105-T109 PolarHBondContact O-OG1 3.4Å; Q105-M142 PolarHBondContact OE1-O 3.32Å
106E98.3Very high98.5Very high123 Ų12330.4 Ų30.458%0.57515%0.153SC*.Hα-helixtrans-62.6-40.4179.1-175.9180-177.100110.9N104 F108 T109 K110N104-E106 VanDerWaalsContact C-N 3.32Å; N104-E106 PolarHBondContact O-N 3.22Å; N104-E106 WeakPolarHBondContact OD1-CB 3.38Å; N104-E106 PolarHBondContact OD1-N 3.1Å; E106-F108 PolarHBondContact O-N 2.83Å; E106-T109 WeakPolarHBondContact O-CB 3.32Å; E106-T109 PolarHBondContact O-N 3.29Å; E106-T109 VanDerWaalsContact O-N 3.12Å; E106-K110 HydrophobicContact CG-CG 4.4Å; E106-K110 WeakPolarHBondContact O-CG 3.31Å; E106-K110 PolarHBondContact O-N 3.03Å
107S98.5Very high98.4Very high1 Ų131.5 Ų31.51%0.00716%0.158CC..Hα-helixtrans-61.1-32.8177.480.60000112.5D101 N104 Q105 K110 A111D101-S107 PolarHBondContact N-OG 3.4Å; D101-S107 PolarHBondContact O-OG 3.48Å; N104-S107 WeakPolarHBondContact O-CB 3.2Å; N104-S107 PolarHBondContact O-N 2.89Å; N104-S107 PolarHBondContact O-OG 3.43Å; N104-S107 PolarHBondContact OD1-N 2.82Å; Q105-S107 VanDerWaalsContact C-N 3.29Å; Q105-S107 PolarHBondContact O-N 3.34Å; S107-K110 PolarHBondContact O-N 2.91Å; S107-A111 WeakPolarHBondContact O-CB 3.45Å; S107-A111 PolarHBondContact O-N 2.81Å
108F98.8Very high98.4Very high0 Ų031.5 Ų31.50%016%0.158CC..Hα-helixtrans-71.4-42.8174.2-178.8-128.6000111.7Y100 N104 Q105 E106 K110 A111 K112 L130 V143 E147 A148 Y151Y100-F108 AromaticContact CD1-CD2 3.8Å; Y100-F108 HydrophobicContact CD1-CD2 3.8Å; Y100-F108 HydrophobicContact CD1-CE2 4.45Å; Y100-F108 HydrophobicContact CD2-CB 3.81Å; Y100-F108 HydrophobicContact CD2-CD2 4Å; Y100-F108 HydrophobicContact CD2-CG 4.24Å; Y100-F108 AromaticContact CE1-CD2 3.88Å; Y100-F108 HydrophobicContact CE1-CD2 3.88Å; Y100-F108 HydrophobicContact CE1-CE2 4.19Å; Y100-F108 HydrophobicContact CE2-CB 4.36Å; Y100-F108 HydrophobicContact CE2-CD2 4.09Å; Y100-F108 HydrophobicContact CE2-CG 4.4Å; Y100-F108 HydrophobicContact CG-CB 4.1Å; Y100-F108 AromaticContact CG-CD2 3.87Å; Y100-F108 HydrophobicContact CG-CD2 3.87Å; Y100-F108 HydrophobicContact CG-CG 4.43Å; N104-F108 PolarHBondContact O-N 2.93Å; Q105-F108 WeakPolarHBondContact O-CB 3.27Å; Q105-F108 PolarHBondContact O-N 3.32Å; Q105-F108 VanDerWaalsContact O-N 3.14Å; E106-F108 PolarHBondContact O-N 2.83Å; F108-K110 VanDerWaalsContact C-N 3.29Å; F108-K110 PolarHBondContact O-N 3.35Å; F108-A111 WeakPolarHBondContact O-CB 3.32Å; F108-A111 PolarHBondContact O-N 3.35Å; F108-A111 VanDerWaalsContact O-N 3.12Å; F108-K112 VanDerWaalsContact CE1-NZ 3.31Å; F108-K112 HydrophobicContact CZ-CD 4.49Å; F108-K112 WeakPolarHBondContact O-CG 3.42Å; F108-K112 PolarHBondContact O-N 2.81Å; F108-L130 HydrophobicContact CE2-CD2 4.17Å; F108-V143 HydrophobicContact CB-CG1 4.27Å; F108-V143 HydrophobicContact CB-CG2 3.72Å; F108-V143 HydrophobicContact CD1-CG1 3.65Å; F108-V143 HydrophobicContact CD1-CG2 4.38Å; F108-V143 HydrophobicContact CD2-CG1 4.39Å; F108-V143 HydrophobicContact CE1-CG1 4.01Å; F108-V143 HydrophobicContact CG-CG1 3.86Å; F108-V143 HydrophobicContact CG-CG2 4.23Å; F108-E147 HydrophobicContact CE1-CG 4.16Å; F108-E147 WeakPolarHBondContact CE1-OE1 3.35Å; F108-A148 HydrophobicContact CE2-CB 3.98Å; F108-A148 HydrophobicContact CZ-CB 3.93Å; F108-Y151 HydrophobicContact CE2-CD1 4.36Å; F108-Y151 HydrophobicContact CZ-CD1 4.34Å; F108-Y151 HydrophobicContact CZ-CG 4.35Å
109T98.5Very high98.3Very high71 Ų7136 Ų3644%0.43618%0.179SC..Hα-helixtrans-56.9-43.2171.6-57.10000111.7Q105 E106 K112 N113Q105-T109 PolarHBondContact O-N 3.19Å; Q105-T109 VanDerWaalsContact O-N 3.07Å; Q105-T109 PolarHBondContact O-OG1 3.4Å; E106-T109 WeakPolarHBondContact O-CB 3.32Å; E106-T109 PolarHBondContact O-N 3.29Å; E106-T109 VanDerWaalsContact O-N 3.12Å; T109-K112 WeakPolarHBondContact O-CB 3.49Å; T109-K112 PolarHBondContact O-N 2.85Å; T109-N113 PolarHBondContact O-N 2.74Å
110K98.2Very high98.2Very high77 Ų7744.2 Ų44.234%0.33521%0.21SC..Hα-helixtrans-67.1-35.8176.1-62.9-70.4-173.11780112.2E28 E106 S107 F108 K112 N113 W114E28-K110 HydrophobicContact CB-CB 4.48Å; E28-K110 WeakPolarHBondContact OE2-CG 3.33Å; E106-K110 HydrophobicContact CG-CG 4.4Å; E106-K110 WeakPolarHBondContact O-CG 3.31Å; E106-K110 PolarHBondContact O-N 3.03Å; S107-K110 PolarHBondContact O-N 2.91Å; F108-K110 VanDerWaalsContact C-N 3.29Å; F108-K110 PolarHBondContact O-N 3.35Å; K110-K112 VanDerWaalsContact C-N 3.34Å; K110-K112 PolarHBondContact O-N 3.05Å; K110-N113 WeakPolarHBondContact O-CB 3.45Å; K110-N113 PolarHBondContact O-N 3.36Å; K110-N113 VanDerWaalsContact O-N 3.15Å; K110-W114 VanDerWaalsContact O-CD1 3.3Å; K110-W114 PolarHBondContact O-N 3.46Å
111A98.6Very high98.1Very high0 Ų049.6 Ų49.60%024%0.235CC..Hα-helixtrans-61-41.1173.100000112.1V98 S107 F108 N113 W114 V115 L130V98-A111 HydrophobicContact CG1-CB 3.65Å; S107-A111 WeakPolarHBondContact O-CB 3.45Å; S107-A111 PolarHBondContact O-N 2.81Å; F108-A111 WeakPolarHBondContact O-CB 3.32Å; F108-A111 PolarHBondContact O-N 3.35Å; F108-A111 VanDerWaalsContact O-N 3.12Å; A111-N113 VanDerWaalsContact C-N 3.25Å; A111-N113 PolarHBondContact O-N 3.48Å; A111-W114 WeakPolarHBondContact O-CB 3.26Å; A111-W114 PolarHBondContact O-N 2.84Å; A111-W114 VanDerWaalsContact O-N 3.12Å; A111-V115 WeakPolarHBondContact O-CG2 3.46Å; A111-V115 PolarHBondContact O-N 3.45Å; A111-L130 HydrophobicContact CB-CD1 4.16Å
112K98.6Very high97.9Very high51 Ų5149.9 Ų49.922%0.22224%0.239CC..Hα-helixtrans-57.8-39.2173.1-60.8-177.7179.5172.30111.7F108 T109 K110 V115 N116 E147 Y151F108-K112 VanDerWaalsContact CE1-NZ 3.31Å; F108-K112 HydrophobicContact CZ-CD 4.49Å; F108-K112 WeakPolarHBondContact O-CG 3.42Å; F108-K112 PolarHBondContact O-N 2.81Å; T109-K112 WeakPolarHBondContact O-CB 3.49Å; T109-K112 PolarHBondContact O-N 2.85Å; K110-K112 VanDerWaalsContact C-N 3.34Å; K110-K112 PolarHBondContact O-N 3.05Å; K112-V115 PolarHBondContact O-N 3.18Å; K112-N116 WeakPolarHBondContact O-CB 3.38Å; K112-N116 PolarHBondContact O-N 3.12Å; K112-N116 PolarHBondContact O-ND2 2.85Å; K112-E147 IonicContact NZ-OE1 2.72Å; K112-E147 PolarHBondContact NZ-OE1 2.79Å; K112-Y151 WeakPolarHBondContact CA-OH 3.28Å; K112-Y151 HydrophobicContact CB-CE1 4.45Å; K112-Y151 HydrophobicContact CB-CE2 4.2Å; K112-Y151 HydrophobicContact CD-CD2 4.04Å; K112-Y151 HydrophobicContact CD-CE2 3.86Å; K112-Y151 HydrophobicContact CG-CD1 4.3Å; K112-Y151 HydrophobicContact CG-CD2 4.21Å; K112-Y151 HydrophobicContact CG-CE1 3.84Å; K112-Y151 HydrophobicContact CG-CE2 3.73Å; K112-Y151 HydrophobicContact CG-CG 4.48Å
113N98Very high97.7Very high84 Ų8453.7 Ų53.745%0.44926%0.259SS..Hα-helixtrans-64.7-41.3175.7-63.9-22.9000112.6T109 K110 A111 N116 E117T109-N113 PolarHBondContact O-N 2.74Å; K110-N113 WeakPolarHBondContact O-CB 3.45Å; K110-N113 PolarHBondContact O-N 3.36Å; K110-N113 VanDerWaalsContact O-N 3.15Å; A111-N113 VanDerWaalsContact C-N 3.25Å; A111-N113 PolarHBondContact O-N 3.48Å; N113-N116 PolarHBondContact O-N 2.99Å; N113-E117 PolarHBondContact O-N 3.32Å
114W98Very high97.4Very high21 Ų2158.3 Ų58.38%0.0829%0.289CS..Hα-helixtrans-63.4-42.3175-79117.2000112.8L26 H83 A86 V98 K110 A111 N116 E117 L118L26-W114 HydrophobicContact CB-CD2 4.1Å; L26-W114 HydrophobicContact CB-CE3 4.3Å; L26-W114 HydrophobicContact CB-CG 4.27Å; L26-W114 HydrophobicContact CD1-CD2 4.48Å; L26-W114 HydrophobicContact CD1-CE3 3.88Å; L26-W114 HydrophobicContact CD1-CZ3 4.29Å; L26-W114 HydrophobicContact CD2-CE3 4.31Å; L26-W114 HydrophobicContact CD2-CH2 4.28Å; L26-W114 HydrophobicContact CD2-CZ3 4.1Å; L26-W114 HydrophobicContact CG-CE3 4.4Å; H83-W114 AromaticContact CE1-CH2 3.32Å; H83-W114 WeakPolarHBondContact CE1-CH2 3.45Å; H83-W114 AromaticContact CE1-CZ2 3.68Å; H83-W114 AromaticContact CE1-CZ3 3.77Å; H83-W114 AromaticContact ND1-CH2 3.05Å; H83-W114 WeakPolarHBondContact ND1-CH2 3.48Å; H83-W114 AromaticContact ND1-CZ2 3.22Å; H83-W114 WeakPolarHBondContact ND1-CZ2 3.41Å; H83-W114 AromaticContact ND1-CZ3 3.96Å; A86-W114 HydrophobicContact CB-CH2 3.3Å; A86-W114 HydrophobicContact CB-CZ3 3.47Å; A86-W114 VanDerWaalsContact CB-CZ3 3.47Å; V98-W114 HydrophobicContact CG1-CB 3.76Å; V98-W114 HydrophobicContact CG2-CB 4.28Å; K110-W114 VanDerWaalsContact O-CD1 3.3Å; K110-W114 PolarHBondContact O-N 3.46Å; A111-W114 WeakPolarHBondContact O-CB 3.26Å; A111-W114 PolarHBondContact O-N 2.84Å; A111-W114 VanDerWaalsContact O-N 3.12Å; W114-N116 VanDerWaalsContact C-N 3.34Å; W114-E117 PolarHBondContact O-N 2.84Å; W114-L118 WeakPolarHBondContact O-CG 3.33Å; W114-L118 PolarHBondContact O-N 3.31Å
115V98.5Very high97.1Very high0 Ų062.5 Ų62.50%031%0.312CS..Hα-helixtrans-58.3-49.6174.3170.90000110.2V98 A111 K112 E117 L118 Q119 I128 Y151 L157V98-V115 HydrophobicContact CB-CG2 4.3Å; V98-V115 HydrophobicContact CG1-CG2 4.35Å; V98-V115 HydrophobicContact CG2-CG2 4.05Å; A111-V115 WeakPolarHBondContact O-CG2 3.46Å; A111-V115 PolarHBondContact O-N 3.45Å; K112-V115 PolarHBondContact O-N 3.18Å; V115-E117 VanDerWaalsContact C-N 3.28Å; V115-E117 PolarHBondContact O-N 2.92Å; V115-L118 PolarHBondContact O-N 3.12Å; V115-Q119 HydrophobicContact CG1-CG 4.45Å; V115-Q119 WeakPolarHBondContact O-CG 3.5Å; V115-Q119 PolarHBondContact O-N 3.15Å; V115-I128 HydrophobicContact CG2-CG2 4.47Å; V115-Y151 HydrophobicContact CG2-CE1 4.38Å; V115-L157 HydrophobicContact CG1-CD1 3.93Å; V115-L157 HydrophobicContact CG1-CD2 3.92Å; V115-L157 HydrophobicContact CG2-CD1 3.82Å
116N97.9Very high97.1Very high48 Ų4860.8 Ų60.826%0.25730%0.304SS..Hα-helixtrans-60.5-36.8178.1-71.6-24.4000112.5K112 N113 W114 R120K112-N116 WeakPolarHBondContact O-CB 3.38Å; K112-N116 PolarHBondContact O-N 3.12Å; K112-N116 PolarHBondContact O-ND2 2.85Å; N113-N116 PolarHBondContact O-N 2.99Å; W114-N116 VanDerWaalsContact C-N 3.34Å; N116-R120 WeakPolarHBondContact O-CG 3.45Å; N116-R120 VanDerWaalsContact O-CZ 3.27Å; N116-R120 PolarHBondContact O-N 3.32Å; N116-R120 PolarHBondContact O-NE 3.12Å
117E97.1Very high97.1Very high24 Ų2455.6 Ų55.611%0.11228%0.281CS..Hα-helixtrans-67-48175.5-174.3175.7145.900112.1H83 Y90 N113 W114 V115 Q119 R120 Q121H83-E117 IonicContact CE1-OE2 2.7Å; H83-E117 IonicContact NE2-OE2 3.24Å; Y90-E117 HydrophobicContact CE1-CG 4.47Å; Y90-E117 VanDerWaalsContact CE1-OE1 3.29Å; Y90-E117 WeakPolarHBondContact CE1-OE1 3.39Å; Y90-E117 PolarHBondContact OH-OE1 3.32Å; Y90-E117 VanDerWaalsContact OH-OE1 3.06Å; N113-E117 PolarHBondContact O-N 3.32Å; W114-E117 PolarHBondContact O-N 2.84Å; V115-E117 VanDerWaalsContact C-N 3.28Å; V115-E117 PolarHBondContact O-N 2.92Å; E117-Q119 VanDerWaalsContact C-N 3.33Å; E117-Q119 PolarHBondContact O-N 3.49Å; E117-R120 PolarHBondContact O-N 2.97Å; E117-R120 VanDerWaalsContact O-N 3.1Å; E117-Q121 PolarHBondContact O-N 3.23Å
118L98.1Very high97.1Very high2 Ų256.2 Ų56.21%0.0128%0.284CS..Hα-helixtrans-58.1-45.6177.3-73.9172.8000111.6L26 Y90 A96 V98 W114 V115 R120 Q121 A122 I126 I128L26-L118 HydrophobicContact CD1-CD1 4.04Å; L26-L118 HydrophobicContact CD1-CD2 3.72Å; L26-L118 HydrophobicContact CD1-CG 3.97Å; Y90-L118 HydrophobicContact CD1-CD2 4.04Å; Y90-L118 HydrophobicContact CD2-CD2 4.28Å; Y90-L118 HydrophobicContact CG-CD2 3.82Å; A96-L118 HydrophobicContact CB-CD1 3.53Å; A96-L118 HydrophobicContact CB-CD2 4.27Å; V98-L118 HydrophobicContact CG2-CD1 3.7Å; W114-L118 WeakPolarHBondContact O-CG 3.33Å; W114-L118 PolarHBondContact O-N 3.31Å; V115-L118 PolarHBondContact O-N 3.12Å; L118-R120 PolarHBondContact O-N 3.29Å; L118-Q121 PolarHBondContact O-N 3.07Å; L118-A122 HydrophobicContact CB-CB 4.38Å; L118-A122 HydrophobicContact CD2-CB 3.92Å; L118-A122 WeakPolarHBondContact O-CA 3.15Å; L118-A122 WeakPolarHBondContact O-CB 3.4Å; L118-A122 PolarHBondContact O-N 3.23Å; L118-I126 HydrophobicContact CD2-CD1 4.21Å; L118-I128 HydrophobicContact CB-CD1 3.74Å; L118-I128 HydrophobicContact CD1-CD1 4.09Å; L118-I128 HydrophobicContact CD1-CG1 4.26Å; L118-I128 HydrophobicContact CD1-CG2 4.17Å
119Q96.8Very high97.1Very high96 Ų9656.2 Ų56.245%0.44928%0.284SS..Hα-helixtrans-61.8-28.8178.4-72.8175.6-21.200113V115 E117 I128V115-Q119 HydrophobicContact CG1-CG 4.45Å; V115-Q119 WeakPolarHBondContact O-CG 3.5Å; V115-Q119 PolarHBondContact O-N 3.15Å; E117-Q119 VanDerWaalsContact C-N 3.33Å; E117-Q119 PolarHBondContact O-N 3.49Å; Q119-I128 HydrophobicContact CG-CD1 4.07Å
120R96.5Very high97.1Very high172 Ų17252.9 Ų52.965%0.64926%0.264SS*.Hα-helixtrans-87.1-36.4178.7-72.8-173.9-60.8-104.5-0.9114.1N116 E117 L118N116-R120 WeakPolarHBondContact O-CG 3.45Å; N116-R120 VanDerWaalsContact O-CZ 3.27Å; N116-R120 PolarHBondContact O-N 3.32Å; N116-R120 PolarHBondContact O-NE 3.12Å; E117-R120 PolarHBondContact O-N 2.97Å; E117-R120 VanDerWaalsContact O-N 3.1Å; L118-R120 PolarHBondContact O-N 3.29Å
121Q96.1Very high97.1Very high113 Ų11349.2 Ų49.253%0.52825%0.248SC..Hα-helixtrans-121.4-20.7-163.3-59.5-170.312.400114.5Y90 E117 L118Y90-Q121 HydrophobicContact CE2-CB 4.03Å; Y90-Q121 WeakPolarHBondContact OH-CB 3.48Å; Y90-Q121 PolarHBondContact OH-OE1 2.58Å; E117-Q121 PolarHBondContact O-N 3.23Å; L118-Q121 PolarHBondContact O-N 3.07Å
122A96.1Very high97.1Very high17 Ų1749.2 Ų49.214%0.1425%0.248CC..SBendtrans-80.9-173.4177.400000111.3Y90 L118 I126Y90-A122 HydrophobicContact CD2-CB 3.91Å; Y90-A122 HydrophobicContact CE2-CB 4.32Å; L118-A122 HydrophobicContact CB-CB 4.38Å; L118-A122 HydrophobicContact CD2-CB 3.92Å; L118-A122 WeakPolarHBondContact O-CA 3.15Å; L118-A122 WeakPolarHBondContact O-CB 3.4Å; L118-A122 PolarHBondContact O-N 3.23Å; A122-I126 HydrophobicContact CB-CD1 3.91Å; A122-I126 HydrophobicContact CB-CG2 4.11Å
123L93.2Very high97.2Very high79 Ų7946.9 Ų46.941%0.41424%0.238SC..  trans-64.4138.7176.2-67.2178.7000110.3N125 I126L123-N125 PolarHBondContact O-N 3.32Å; L123-I126 WeakPolarHBondContact O-CB 3.13Å; L123-I126 VanDerWaalsContact O-CG2 3.23Å; L123-I126 WeakPolarHBondContact O-CG2 3.16Å; L123-I126 PolarHBondContact O-N 3.03Å
124P92.1Very high97.2Very high126 Ų12645.5 Ų45.582%0.81823%0.228SC*.THydrogen-bonded Turntrans-55.4-27.4-177.2-2935000115.3
125N92.6Very high97.2Very high150 Ų15045.1 Ų45.180%0.80223%0.229SC*.THydrogen-bonded Turntrans-107.421.4-178.1-61.2-30.4000112.9L123 V127L123-N125 PolarHBondContact O-N 3.32Å; N125-V127 PolarHBondContact O-N 2.71Å
126I97.9Very high97.2Very high21 Ų2147.9 Ų47.911%0.10824%0.244CC..  trans-61.5131177-170170.4000110.1A93 A96 L118 A122 L123 I128A93-I126 HydrophobicContact CB-CD1 4.36Å; A96-I126 HydrophobicContact CB-CD1 3.89Å; L118-I126 HydrophobicContact CD2-CD1 4.21Å; A122-I126 HydrophobicContact CB-CD1 3.91Å; A122-I126 HydrophobicContact CB-CG2 4.11Å; L123-I126 WeakPolarHBondContact O-CB 3.13Å; L123-I126 VanDerWaalsContact O-CG2 3.23Å; L123-I126 WeakPolarHBondContact O-CG2 3.16Å; L123-I126 PolarHBondContact O-N 3.03Å; I126-I128 HydrophobicContact CG2-CD1 4.04Å; I126-I128 HydrophobicContact CG2-CG1 3.86Å; I126-I128 PolarHBondContact O-N 3.24Å
127V98.3Very high97.2Very high15 Ų1547.9 Ų47.99%0.09124%0.244CC..EExtended strand (participates in β ladder)trans-79.8114.1172.2177.10000108.3Q94 A95 A96 N125 L158 I177 K180 L181Q94-V127 PolarHBondContact O-N 2.85Å; A95-V127 CarbonylContact C-O 3.59Å; A95-V127 WeakPolarHBondContact CA-O 3.48Å; A95-V127 HydrophobicContact CB-CB 4.35Å; A96-V127 PolarHBondContact N-O 2.84Å; N125-V127 PolarHBondContact O-N 2.71Å; V127-L158 HydrophobicContact CG1-CD1 3.78Å; V127-I177 HydrophobicContact CG1-CG2 4.39Å; V127-K180 HydrophobicContact CG1-CB 3.99Å; V127-K180 HydrophobicContact CG1-CG 3.91Å; V127-K180 HydrophobicContact CG2-CB 4.13Å; V127-K180 HydrophobicContact CG2-CG 3.78Å; V127-L181 HydrophobicContact CB-CD2 4.37Å; V127-L181 HydrophobicContact CG2-CD2 3.91Å; V127-L181 HydrophobicContact CG2-CG 4.33Å
128I98.6Very high97.1Very high14 Ų1449.6 Ų49.67%0.07226%0.262CS..EExtended strand (participates in β ladder)trans-103.4126.8178.4-51.8177.1000109A96 V98 V115 L118 Q119 I126 L157 L158A96-I128 WeakPolarHBondContact O-CA 3.3Å; V98-I128 HydrophobicContact CG2-CG2 4.08Å; V115-I128 HydrophobicContact CG2-CG2 4.47Å; L118-I128 HydrophobicContact CB-CD1 3.74Å; L118-I128 HydrophobicContact CD1-CD1 4.09Å; L118-I128 HydrophobicContact CD1-CG1 4.26Å; L118-I128 HydrophobicContact CD1-CG2 4.17Å; Q119-I128 HydrophobicContact CG-CD1 4.07Å; I126-I128 HydrophobicContact CG2-CD1 4.04Å; I126-I128 HydrophobicContact CG2-CG1 3.86Å; I126-I128 PolarHBondContact O-N 3.24Å; I128-L157 HydrophobicContact CB-CD2 3.86Å; I128-L157 HydrophobicContact CD1-CD2 4.47Å; I128-L157 HydrophobicContact CG2-CD2 3.91Å; I128-L158 PolarHBondContact O-N 2.93Å
129A98.8Very high97.1Very high0 Ų056.1 Ų56.10%030%0.297CS..EExtended strand (participates in β ladder)trans-111.4133.3168.900000110.2A96 I97 V98 L158 I173 I177A96-A129 PolarHBondContact O-N 2.97Å; I97-A129 CarbonylContact C-O 3.46Å; I97-A129 VanDerWaalsContact CA-O 3.32Å; I97-A129 WeakPolarHBondContact CA-O 3.25Å; I97-A129 HydrophobicContact CG1-CB 4.43Å; V98-A129 PolarHBondContact N-O 3.2Å; A129-L158 CarbonylContact C-O 3.55Å; A129-L158 VanDerWaalsContact CA-O 3.26Å; A129-L158 WeakPolarHBondContact CA-O 3.34Å; A129-L158 HydrophobicContact CB-CB 3.88Å; A129-I173 HydrophobicContact CB-CD1 4.06Å; A129-I173 HydrophobicContact CB-CG1 4.09Å; A129-I177 HydrophobicContact CB-CD1 3.8Å; A129-I177 HydrophobicContact CB-CG1 3.97Å
130L98.9Very high97.2Very high0 Ų057.8 Ų57.80%030%0.302CS..EExtended strand (participates in β ladder)trans-98.3123.4171.6-178.168000108.9V98 Y100 F108 A111 Y151 A152 L157 L158 F159 M160V98-L130 HydrophobicContact CB-CD1 4.36Å; V98-L130 HydrophobicContact CG1-CD1 4.4Å; V98-L130 WeakPolarHBondContact O-CA 3.19Å; Y100-L130 HydrophobicContact CD1-CD1 3.87Å; Y100-L130 HydrophobicContact CD1-CG 4.27Å; Y100-L130 HydrophobicContact CE1-CD1 4.11Å; Y100-L130 HydrophobicContact CE1-CD2 4.34Å; Y100-L130 HydrophobicContact CE1-CG 4Å; F108-L130 HydrophobicContact CE2-CD2 4.17Å; A111-L130 HydrophobicContact CB-CD1 4.16Å; L130-Y151 HydrophobicContact CD2-CD1 3.92Å; L130-Y151 HydrophobicContact CD2-CE1 4.37Å; L130-A152 HydrophobicContact CD2-CB 4.15Å; L130-L157 HydrophobicContact CB-CD1 4.07Å; L130-L157 HydrophobicContact CD2-CD1 4.39Å; L130-L158 PolarHBondContact N-O 2.83Å; L130-F159 HydrophobicContact CB-CD2 4.1Å; L130-F159 HydrophobicContact CD2-CD2 3.92Å; L130-F159 HydrophobicContact CD2-CE2 4.29Å; L130-F159 HydrophobicContact CG-CD2 4.02Å; L130-F159 HydrophobicContact CG-CE2 4.43Å; L130-F159 WeakPolarHBondContact O-CA 3.32Å; L130-F159 WeakPolarHBondContact O-CD2 3.47Å; L130-M160 PolarHBondContact O-N 3.32Å
131A98.9Very high97.3Very high0 Ų053 Ų530%029%0.285CS..EExtended strand (participates in β ladder)trans-116.5112.2-178.300000111.1I97 V98 V99 Y100 N133 M160 T162 I173I97-A131 HydrophobicContact CG2-CB 3.79Å; V98-A131 PolarHBondContact O-N 2.93Å; V99-A131 WeakPolarHBondContact CA-O 3.43Å; V99-A131 HydrophobicContact CG1-CB 4.49Å; V99-A131 HydrophobicContact CG2-CB 4.29Å; Y100-A131 WeakPolarHBondContact CD1-O 3.46Å; Y100-A131 PolarHBondContact N-O 3.26Å; A131-N133 PolarHBondContact O-N 3.46Å; A131-M160 WeakPolarHBondContact CA-O 3.19Å; A131-T162 HydrophobicContact CB-CG2 4.48Å; A131-I173 HydrophobicContact CB-CD1 3.64Å
132G98.8Very high97.4Very high0 Ų053.2 Ų53.20%029%0.287CS..EExtended strand (participates in β ladder)trans-82.794.6168.100000110.2M160 E161 T162G132-M160 PolarHBondContact N-O 2.85Å; G132-M160 VanDerWaalsContact N-O 3.16Å; G132-E161 CarbonylContact O-C 3.46Å; G132-E161 WeakPolarHBondContact O-CA 3.36Å; G132-T162 PolarHBondContact O-N 3.25Å
133N98.9Very high97.5Very high3 Ų352.4 Ų52.42%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-87166.2-175.2-170.936.8000112.6V31 L36 V99 Y100 V102 A131 T162 A164V31-N133 PolarHBondContact O-ND2 3.34Å; L36-N133 HydrophobicContact CD1-CB 4.24Å; V99-N133 HydrophobicContact CG1-CB 3.74Å; Y100-N133 PolarHBondContact O-N 2.95Å; V102-N133 WeakPolarHBondContact CG1-O 3.48Å; V102-N133 WeakPolarHBondContact CG2-O 3.46Å; V102-N133 PolarHBondContact N-O 3.21Å; A131-N133 PolarHBondContact O-N 3.46Å; N133-T162 CarbonylContact C-O 3.43Å; N133-T162 VanDerWaalsContact CA-O 3.3Å; N133-T162 WeakPolarHBondContact CA-O 3.38Å; N133-T162 WeakPolarHBondContact CA-OG1 3.3Å; N133-T162 PolarHBondContact OD1-O 2.92Å; N133-T162 PolarHBondContact OD1-OG1 3.22Å; N133-A164 PolarHBondContact OD1-N 2.98Å
134K98.5Very high97.7Very high54 Ų5453.4 Ų53.424%0.23529%0.286CS..  trans66.831.8-176.5-46.5-169.7-163.9164.60113.7A30 D101 V102 D136 L137 T162A30-K134 VanDerWaalsContact O-CE 3.32Å; A30-K134 WeakPolarHBondContact O-CE 3.34Å; A30-K134 PolarHBondContact O-NZ 2.82Å; D101-K134 WeakPolarHBondContact OD2-CD 3.42Å; D101-K134 VanDerWaalsContact OD2-CE 3.26Å; D101-K134 WeakPolarHBondContact OD2-CE 3.42Å; D101-K134 IonicContact OD2-NZ 3.95Å; D101-K134 PolarHBondContact OD2-NZ 3.39Å; V102-K134 WeakPolarHBondContact CG2-O 3.32Å; K134-D136 WeakPolarHBondContact CA-OD1 3.37Å; K134-D136 PolarHBondContact O-N 3.14Å; K134-L137 HydrophobicContact CB-CD1 4.15Å; K134-L137 HydrophobicContact CB-CG 4.38Å; K134-L137 HydrophobicContact CD-CD1 4.2Å; K134-L137 WeakPolarHBondContact O-CB 3.39Å; K134-L137 PolarHBondContact O-N 2.97Å; K134-T162 PolarHBondContact N-O 3.44Å; K134-T162 VanDerWaalsContact N-O 3.09Å
135A98.5Very high98Very high13 Ų1351.9 Ų51.911%0.10727%0.267CS..G310 helixtrans-61.5-14.417600000114.1L137 A138 E161 T162 M168A135-L137 PolarHBondContact O-N 3.1Å; A135-A138 PolarHBondContact O-N 2.91Å; A135-E161 HydrophobicContact CB-CB 4.14Å; A135-T162 WeakPolarHBondContact CB-O 3.38Å; A135-T162 PolarHBondContact N-O 3.26Å; A135-T162 VanDerWaalsContact N-O 3.1Å; A135-M168 HydrophobicContact CB-CE 3.37Å
136D98.4Very high98.3Very high58 Ų5848.2 Ų48.231%0.3125%0.252SS..G310 helixtrans-62.9-19.8167.256.7-74.6000113.4K134 A138 S163 K165K134-D136 WeakPolarHBondContact CA-OD1 3.37Å; K134-D136 PolarHBondContact O-N 3.14Å; D136-A138 VanDerWaalsContact C-N 3.31Å; D136-A138 PolarHBondContact O-N 3.33Å; D136-S163 WeakPolarHBondContact CB-OG 3.26Å; D136-S163 VanDerWaalsContact CG-OG 3.27Å; D136-S163 WeakPolarHBondContact OD1-CB 3.44Å; D136-S163 PolarHBondContact OD1-OG 2.56Å; D136-K165 WeakPolarHBondContact OD2-CD 3.5Å
137L97.9Very high98.3Very high49 Ų4950.6 Ų50.626%0.25726%0.263SS..G310 helixtrans-94.839.8176.7-56.1-178.4000112.2T103 K134 A135 N139 K140 R141T103-L137 HydrophobicContact CG2-CB 3.6Å; T103-L137 HydrophobicContact CG2-CD1 4.12Å; K134-L137 HydrophobicContact CB-CD1 4.15Å; K134-L137 HydrophobicContact CB-CG 4.38Å; K134-L137 HydrophobicContact CD-CD1 4.2Å; K134-L137 WeakPolarHBondContact O-CB 3.39Å; K134-L137 PolarHBondContact O-N 2.97Å; A135-L137 PolarHBondContact O-N 3.1Å; L137-N139 PolarHBondContact O-N 2.84Å; L137-N139 VanDerWaalsContact O-N 3.08Å; L137-K140 PolarHBondContact O-N 3.42Å; L137-R141 PolarHBondContact O-N 3.25Å
138A96.1Very high98.3Very high59 Ų5949.9 Ų49.949%0.48826%0.259SS..G310 helixtrans-54.3-31.8-174.900000114.1A135 D136 K140 R141A135-A138 PolarHBondContact O-N 2.91Å; D136-A138 VanDerWaalsContact C-N 3.31Å; D136-A138 PolarHBondContact O-N 3.33Å; A138-K140 PolarHBondContact O-N 3.16Å; A138-R141 VanDerWaalsContact O-CB 3.26Å; A138-R141 WeakPolarHBondContact O-CB 3.45Å; A138-R141 PolarHBondContact O-N 2.92Å
139N97.5Very high98.3Very high140 Ų14052.5 Ų52.575%0.74927%0.271SS*.G310 helixtrans-70.8-12.5176.866.3-45.2000114.4L137L137-N139 PolarHBondContact O-N 2.84Å; L137-N139 VanDerWaalsContact O-N 3.08Å
140K97.9Very high98.3Very high130 Ų13055.8 Ų55.857%0.56529%0.294SS*.G310 helixtrans-111.211.1176.2-62.8-178.6179.1-179.80112T103 L137 A138 M142T103-K140 WeakPolarHBondContact CA-O 3.45Å; T103-K140 WeakPolarHBondContact CB-O 3.31Å; T103-K140 HydrophobicContact CG2-CB 3.71Å; T103-K140 WeakPolarHBondContact CG2-O 3.48Å; L137-K140 PolarHBondContact O-N 3.42Å; A138-K140 PolarHBondContact O-N 3.16Å; K140-M142 PolarHBondContact O-N 2.97Å
141R98.5Very high98.3Very high73 Ų7356.7 Ų56.728%0.27530%0.297SS..  trans-55.8131.9-178.8176.4177.4-68-83.62110.7L137 A138 V143 E161L137-R141 PolarHBondContact O-N 3.25Å; A138-R141 VanDerWaalsContact O-CB 3.26Å; A138-R141 WeakPolarHBondContact O-CB 3.45Å; A138-R141 PolarHBondContact O-N 2.92Å; R141-V143 WeakPolarHBondContact CD-O 3.49Å; R141-V143 WeakPolarHBondContact CG-O 3.4Å; R141-V143 PolarHBondContact NH1-O 2.84Å; R141-E161 IonicContact CZ-OE1 3.23Å; R141-E161 VanDerWaalsContact CZ-OE1 3.23Å; R141-E161 IonicContact CZ-OE2 3.7Å; R141-E161 IonicContact NH1-OE1 2.64Å; R141-E161 PolarHBondContact NH1-OE1 3.3Å; R141-E161 IonicContact NH1-OE2 3.88Å; R141-E161 IonicContact NH2-OE1 2.99Å; R141-E161 PolarHBondContact NH2-OE1 3.34Å; R141-E161 IonicContact NH2-OE2 2.7Å; R141-E161 PolarHBondContact NH2-OE2 2.99Å
142M98.4Very high98.3Very high117 Ų11756.7 Ų56.758%0.57630%0.297SS*.  trans-117.8-25173-65.5-171.869.900112.3V102 Q105 K140V102-M142 PolarHBondContact O-N 2.79Å; Q105-M142 PolarHBondContact OE1-O 3.32Å; K140-M142 PolarHBondContact O-N 2.97Å
143V98.3Very high98.2Very high0 Ų062.9 Ų62.90%033%0.326CS..SBendtrans-102122.7177.5-175.20000109.2Y100 V102 F108 R141 A148Y100-V143 HydrophobicContact CD2-CG2 4.21Å; Y100-V143 HydrophobicContact CE2-CB 3.95Å; Y100-V143 HydrophobicContact CE2-CG1 3.77Å; Y100-V143 HydrophobicContact CE2-CG2 4.04Å; V102-V143 PolarHBondContact O-N 3.36Å; F108-V143 HydrophobicContact CB-CG1 4.27Å; F108-V143 HydrophobicContact CB-CG2 3.72Å; F108-V143 HydrophobicContact CD1-CG1 3.65Å; F108-V143 HydrophobicContact CD1-CG2 4.38Å; F108-V143 HydrophobicContact CD2-CG1 4.39Å; F108-V143 HydrophobicContact CE1-CG1 4.01Å; F108-V143 HydrophobicContact CG-CG1 3.86Å; F108-V143 HydrophobicContact CG-CG2 4.23Å; R141-V143 WeakPolarHBondContact CD-O 3.49Å; R141-V143 WeakPolarHBondContact CG-O 3.4Å; R141-V143 PolarHBondContact NH1-O 2.84Å; V143-A148 HydrophobicContact CG1-CB 4.26Å
144D98Very high98.2Very high99 Ų9970 Ų7053%0.52936%0.359SS..  trans-70.7137.4177.5-74.5-24.5000111.3S146 E147 A148D144-S146 VanDerWaalsContact C-N 3.28Å; D144-S146 PolarHBondContact O-N 3.14Å; D144-E147 HydrophobicContact CB-CB 4.12Å; D144-E147 PolarHBondContact O-N 3.26Å; D144-A148 PolarHBondContact O-N 3.26Å; D144-A148 VanDerWaalsContact O-N 3.14Å
145F98.4Very high98.2Very high95 Ų9569.9 Ų69.942%0.41736%0.359SS..Hα-helixtrans-57.4-44178.5176.9-93.6000111.5E147 A148 Q149 F159 E161F145-E147 PolarHBondContact O-N 3.43Å; F145-A148 PolarHBondContact O-N 3.49Å; F145-Q149 HydrophobicContact CE1-CB 4.38Å; F145-Q149 VanDerWaalsContact O-CB 3.27Å; F145-Q149 WeakPolarHBondContact O-CB 3.44Å; F145-Q149 PolarHBondContact O-N 3.2Å; F145-F159 AromaticContact CD2-CE1 3.97Å; F145-F159 HydrophobicContact CD2-CE1 3.97Å; F145-F159 HydrophobicContact CD2-CZ 4.24Å; F145-F159 AromaticContact CE2-CE1 3.58Å; F145-F159 HydrophobicContact CE2-CE1 3.58Å; F145-F159 HydrophobicContact CE2-CZ 4.19Å; F145-F159 AromaticContact CZ-CE1 3.93Å; F145-F159 HydrophobicContact CZ-CE1 3.93Å; F145-E161 HydrophobicContact CD2-CG 3.78Å; F145-E161 HydrophobicContact CE2-CG 4.03Å
146S98Very high98.1Very high72 Ų7272.6 Ų72.650%0.50339%0.389SS..Hα-helixtrans-65.9-35.7179.652.10000112.6D144 S150D144-S146 VanDerWaalsContact C-N 3.28Å; D144-S146 PolarHBondContact O-N 3.14Å; S146-S150 VanDerWaalsContact O-CB 3.29Å; S146-S150 WeakPolarHBondContact O-CB 3.49Å; S146-S150 PolarHBondContact O-N 3.06Å; S146-S150 PolarHBondContact O-OG 3.47Å
147E98.2Very high98.1Very high72 Ų7270.7 Ų70.734%0.33638%0.379SS..Hα-helixtrans-62.7-49.9175.4-171.2-161.6162.800110.1F108 K112 D144 F145 S150 Y151F108-E147 HydrophobicContact CE1-CG 4.16Å; F108-E147 WeakPolarHBondContact CE1-OE1 3.35Å; K112-E147 IonicContact NZ-OE1 2.72Å; K112-E147 PolarHBondContact NZ-OE1 2.79Å; D144-E147 HydrophobicContact CB-CB 4.12Å; D144-E147 PolarHBondContact O-N 3.26Å; F145-E147 PolarHBondContact O-N 3.43Å; E147-S150 PolarHBondContact O-N 2.7Å; E147-Y151 WeakPolarHBondContact O-CB 3.47Å; E147-Y151 PolarHBondContact O-N 2.95Å
148A98.5Very high98.1Very high0 Ų070.8 Ų70.80%038%0.379CS..Hα-helixtrans-67.4-39.2-179.400000112.9Y100 F108 V143 D144 F145 A152 F159Y100-A148 HydrophobicContact CE1-CB 4.4Å; Y100-A148 WeakPolarHBondContact OH-CB 3.36Å; F108-A148 HydrophobicContact CE2-CB 3.98Å; F108-A148 HydrophobicContact CZ-CB 3.93Å; V143-A148 HydrophobicContact CG1-CB 4.26Å; D144-A148 PolarHBondContact O-N 3.26Å; D144-A148 VanDerWaalsContact O-N 3.14Å; F145-A148 PolarHBondContact O-N 3.49Å; A148-A152 WeakPolarHBondContact O-CB 3.17Å; A148-A152 PolarHBondContact O-N 3.48Å; A148-F159 HydrophobicContact CB-CE1 4.49Å; A148-F159 HydrophobicContact CB-CE2 3.74Å; A148-F159 HydrophobicContact CB-CZ 3.61Å
149Q98.6Very high98.3Very high69 Ų6969.7 Ų69.732%0.32236%0.364SS..Hα-helixtrans-62.8-49.6174.8-177.9176.313.200111.6F145 Y151 A152 E153 F159F145-Q149 HydrophobicContact CE1-CB 4.38Å; F145-Q149 VanDerWaalsContact O-CB 3.27Å; F145-Q149 WeakPolarHBondContact O-CB 3.44Å; F145-Q149 PolarHBondContact O-N 3.2Å; Q149-Y151 VanDerWaalsContact C-N 3.29Å; Q149-Y151 PolarHBondContact O-N 3.39Å; Q149-A152 WeakPolarHBondContact O-CB 3.34Å; Q149-A152 PolarHBondContact O-N 3.11Å; Q149-A152 VanDerWaalsContact O-N 3.11Å; Q149-E153 HydrophobicContact CG-CG 4.41Å; Q149-E153 VanDerWaalsContact CG-OE1 3.3Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.42Å; Q149-E153 PolarHBondContact NE2-OE1 3.4Å; Q149-E153 WeakPolarHBondContact O-CG 3.47Å; Q149-E153 PolarHBondContact O-N 2.87Å; Q149-F159 HydrophobicContact CB-CD1 3.84Å; Q149-F159 HydrophobicContact CB-CE1 3.72Å; Q149-F159 HydrophobicContact CG-CD1 4.15Å; Q149-F159 HydrophobicContact CG-CE1 4.45Å
150S98.5Very high98.3Very high69 Ų6965.7 Ų65.748%0.48334%0.341SS..Hα-helixtrans-60-42.5-179.8-56.70000111.1S146 E147 A152 E153 E154S146-S150 VanDerWaalsContact O-CB 3.29Å; S146-S150 WeakPolarHBondContact O-CB 3.49Å; S146-S150 PolarHBondContact O-N 3.06Å; S146-S150 PolarHBondContact O-OG 3.47Å; E147-S150 PolarHBondContact O-N 2.7Å; S150-A152 PolarHBondContact O-N 3.02Å; S150-E153 PolarHBondContact O-N 3.37Å; S150-E154 WeakPolarHBondContact O-CB 3.48Å; S150-E154 PolarHBondContact O-N 3.06Å
151Y98.7Very high98.4Very high19 Ų1960.4 Ų60.48%0.07532%0.318CS..Hα-helixtrans-60.1-44.5174.9174.6-98.4000112.2F108 K112 V115 L130 E147 Q149 E154 H155 L157F108-Y151 HydrophobicContact CE2-CD1 4.36Å; F108-Y151 HydrophobicContact CZ-CD1 4.34Å; F108-Y151 HydrophobicContact CZ-CG 4.35Å; K112-Y151 WeakPolarHBondContact CA-OH 3.28Å; K112-Y151 HydrophobicContact CB-CE1 4.45Å; K112-Y151 HydrophobicContact CB-CE2 4.2Å; K112-Y151 HydrophobicContact CD-CD2 4.04Å; K112-Y151 HydrophobicContact CD-CE2 3.86Å; K112-Y151 HydrophobicContact CG-CD1 4.3Å; K112-Y151 HydrophobicContact CG-CD2 4.21Å; K112-Y151 HydrophobicContact CG-CE1 3.84Å; K112-Y151 HydrophobicContact CG-CE2 3.73Å; K112-Y151 HydrophobicContact CG-CG 4.48Å; V115-Y151 HydrophobicContact CG2-CE1 4.38Å; L130-Y151 HydrophobicContact CD2-CD1 3.92Å; L130-Y151 HydrophobicContact CD2-CE1 4.37Å; E147-Y151 WeakPolarHBondContact O-CB 3.47Å; E147-Y151 PolarHBondContact O-N 2.95Å; Q149-Y151 VanDerWaalsContact C-N 3.29Å; Q149-Y151 PolarHBondContact O-N 3.39Å; Y151-E154 PolarHBondContact O-N 2.88Å; Y151-H155 AromaticContact CD2-CE1 3.5Å; Y151-H155 AromaticContact CD2-ND1 3.57Å; Y151-H155 AromaticContact CE2-CE1 3.15Å; Y151-H155 WeakPolarHBondContact CE2-CE1 3.5Å; Y151-H155 AromaticContact CE2-CG 3.97Å; Y151-H155 AromaticContact CE2-ND1 3.4Å; Y151-H155 WeakPolarHBondContact CE2-ND1 3.48Å; Y151-H155 AromaticContact CE2-NE2 3.51Å; Y151-H155 AromaticContact CZ-CE1 3.91Å; Y151-H155 AromaticContact CZ-CG 3.98Å; Y151-H155 AromaticContact CZ-ND1 3.85Å; Y151-H155 AromaticContact CZ-NE2 3.99Å; Y151-H155 PolarHBondContact O-N 3.37Å; Y151-H155 VanDerWaalsContact O-N 3.12Å; Y151-H155 PolarHBondContact O-ND1 2.91Å; Y151-L157 HydrophobicContact CD1-CD1 4.46Å; Y151-L157 HydrophobicContact CE1-CD1 4.01Å
152A98.7Very high98.4Very high0 Ų057 Ų570%031%0.305CS..Hα-helixtrans-64.7-42.3178.700000112.7L130 A148 Q149 S150 H155 G156 L157 F159L130-A152 HydrophobicContact CD2-CB 4.15Å; A148-A152 WeakPolarHBondContact O-CB 3.17Å; A148-A152 PolarHBondContact O-N 3.48Å; Q149-A152 WeakPolarHBondContact O-CB 3.34Å; Q149-A152 PolarHBondContact O-N 3.11Å; Q149-A152 VanDerWaalsContact O-N 3.11Å; S150-A152 PolarHBondContact O-N 3.02Å; A152-H155 CarbonylContact O-C 3.54Å; A152-H155 PolarHBondContact O-N 3.38Å; A152-G156 PolarHBondContact O-N 3.07Å; A152-L157 HydrophobicContact CB-CB 4.05Å; A152-L157 HydrophobicContact CB-CD1 4.44Å; A152-L157 PolarHBondContact O-N 3.32Å; A152-F159 HydrophobicContact CB-CB 3.48Å; A152-F159 VanDerWaalsContact CB-CB 3.48Å; A152-F159 HydrophobicContact CB-CD2 4.35Å; A152-F159 HydrophobicContact CB-CG 3.99Å
153E98.3Very high98.4Very high129 Ų12951.4 Ų51.460%0.60328%0.278SS*.Hα-helixtrans-63-45.4176.6-72.1173.7-17300111.2Q149 S150 H155 G156Q149-E153 HydrophobicContact CG-CG 4.41Å; Q149-E153 VanDerWaalsContact CG-OE1 3.3Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.42Å; Q149-E153 PolarHBondContact NE2-OE1 3.4Å; Q149-E153 WeakPolarHBondContact O-CG 3.47Å; Q149-E153 PolarHBondContact O-N 2.87Å; S150-E153 PolarHBondContact O-N 3.37Å; E153-H155 PolarHBondContact O-N 3.12Å; E153-G156 PolarHBondContact O-N 3.24Å
154E98.2Very high98.4Very high153 Ų15351.5 Ų51.572%0.71528%0.279SS*.Hα-helixtrans-57.5-36.9176-176.1-174.117800112.4S150 Y151S150-E154 WeakPolarHBondContact O-CB 3.48Å; S150-E154 PolarHBondContact O-N 3.06Å; Y151-E154 PolarHBondContact O-N 2.88Å
155H97.8Very high98.4Very high51 Ų5151 Ų5124%0.23627%0.272CS..THydrogen-bonded Turntrans-98.95.7-176.6-65.170.3000113.6Y151 A152 E153 L157Y151-H155 AromaticContact CD2-CE1 3.5Å; Y151-H155 AromaticContact CD2-ND1 3.57Å; Y151-H155 AromaticContact CE2-CE1 3.15Å; Y151-H155 WeakPolarHBondContact CE2-CE1 3.5Å; Y151-H155 AromaticContact CE2-CG 3.97Å; Y151-H155 AromaticContact CE2-ND1 3.4Å; Y151-H155 WeakPolarHBondContact CE2-ND1 3.48Å; Y151-H155 AromaticContact CE2-NE2 3.51Å; Y151-H155 AromaticContact CZ-CE1 3.91Å; Y151-H155 AromaticContact CZ-CG 3.98Å; Y151-H155 AromaticContact CZ-ND1 3.85Å; Y151-H155 AromaticContact CZ-NE2 3.99Å; Y151-H155 PolarHBondContact O-N 3.37Å; Y151-H155 VanDerWaalsContact O-N 3.12Å; Y151-H155 PolarHBondContact O-ND1 2.91Å; A152-H155 CarbonylContact O-C 3.54Å; A152-H155 PolarHBondContact O-N 3.38Å; E153-H155 PolarHBondContact O-N 3.12Å; H155-L157 HydrophobicContact CB-CD1 4.14Å; H155-L157 HydrophobicContact CB-CD2 4.06Å; H155-L157 HydrophobicContact CB-CG 3.84Å; H155-L157 WeakPolarHBondContact O-CD2 3.19Å; H155-L157 PolarHBondContact O-N 2.87Å
156G97.4Very high98.4Very high71 Ų7150 Ų5073%0.73228%0.276SS*.THydrogen-bonded Turntrans66.230.5178.200000114.8A152 E153A152-G156 PolarHBondContact O-N 3.07Å; E153-G156 PolarHBondContact O-N 3.24Å
157L98.5Very high98.4Very high18 Ų1848.4 Ų48.49%0.09427%0.268CS..  trans-90.4149.4-177.5-41.3178.5000111V115 I128 L130 Y151 A152 H155V115-L157 HydrophobicContact CG1-CD1 3.93Å; V115-L157 HydrophobicContact CG1-CD2 3.92Å; V115-L157 HydrophobicContact CG2-CD1 3.82Å; I128-L157 HydrophobicContact CB-CD2 3.86Å; I128-L157 HydrophobicContact CD1-CD2 4.47Å; I128-L157 HydrophobicContact CG2-CD2 3.91Å; L130-L157 HydrophobicContact CB-CD1 4.07Å; L130-L157 HydrophobicContact CD2-CD1 4.39Å; Y151-L157 HydrophobicContact CD1-CD1 4.46Å; Y151-L157 HydrophobicContact CE1-CD1 4.01Å; A152-L157 HydrophobicContact CB-CB 4.05Å; A152-L157 HydrophobicContact CB-CD1 4.44Å; A152-L157 PolarHBondContact O-N 3.32Å; H155-L157 HydrophobicContact CB-CD1 4.14Å; H155-L157 HydrophobicContact CB-CD2 4.06Å; H155-L157 HydrophobicContact CB-CG 3.84Å; H155-L157 WeakPolarHBondContact O-CD2 3.19Å; H155-L157 PolarHBondContact O-N 2.87Å
158L98.5Very high98.5Very high50 Ų5048.4 Ų48.426%0.26227%0.269SS..EExtended strand (participates in β ladder)trans-68.5137.3159.5-63.5172.9000108.1V127 I128 A129 L130 A176 I177 K180V127-L158 HydrophobicContact CG1-CD1 3.78Å; I128-L158 PolarHBondContact O-N 2.93Å; A129-L158 CarbonylContact C-O 3.55Å; A129-L158 VanDerWaalsContact CA-O 3.26Å; A129-L158 WeakPolarHBondContact CA-O 3.34Å; A129-L158 HydrophobicContact CB-CB 3.88Å; L130-L158 PolarHBondContact N-O 2.83Å; L158-A176 HydrophobicContact CD1-CB 4.25Å; L158-I177 HydrophobicContact CD1-CG1 3.87Å; L158-K180 HydrophobicContact CD1-CB 4.44Å
159F98.7Very high98.5Very high37 Ų3751 Ų5116%0.16228%0.283CS..EExtended strand (participates in β ladder)trans-133132178.7175.3-112.4000112Y100 L130 F145 A148 Q149 A152 E161Y100-F159 HydrophobicContact CE1-CE2 4.25Å; L130-F159 HydrophobicContact CB-CD2 4.1Å; L130-F159 HydrophobicContact CD2-CD2 3.92Å; L130-F159 HydrophobicContact CD2-CE2 4.29Å; L130-F159 HydrophobicContact CG-CD2 4.02Å; L130-F159 HydrophobicContact CG-CE2 4.43Å; L130-F159 WeakPolarHBondContact O-CA 3.32Å; L130-F159 WeakPolarHBondContact O-CD2 3.47Å; F145-F159 AromaticContact CD2-CE1 3.97Å; F145-F159 HydrophobicContact CD2-CE1 3.97Å; F145-F159 HydrophobicContact CD2-CZ 4.24Å; F145-F159 AromaticContact CE2-CE1 3.58Å; F145-F159 HydrophobicContact CE2-CE1 3.58Å; F145-F159 HydrophobicContact CE2-CZ 4.19Å; F145-F159 AromaticContact CZ-CE1 3.93Å; F145-F159 HydrophobicContact CZ-CE1 3.93Å; A148-F159 HydrophobicContact CB-CE1 4.49Å; A148-F159 HydrophobicContact CB-CE2 3.74Å; A148-F159 HydrophobicContact CB-CZ 3.61Å; Q149-F159 HydrophobicContact CB-CD1 3.84Å; Q149-F159 HydrophobicContact CB-CE1 3.72Å; Q149-F159 HydrophobicContact CG-CD1 4.15Å; Q149-F159 HydrophobicContact CG-CE1 4.45Å; A152-F159 HydrophobicContact CB-CB 3.48Å; A152-F159 VanDerWaalsContact CB-CB 3.48Å; A152-F159 HydrophobicContact CB-CD2 4.35Å; A152-F159 HydrophobicContact CB-CG 3.99Å; F159-E161 HydrophobicContact CZ-CG 4.13Å
160M98.6Very high98.5Very high56 Ų5647.8 Ų47.828%0.27627%0.268SS..EExtended strand (participates in β ladder)trans-148.6139.9170.6-64.9-177171.800109.2L130 A131 G132 N169 D172 I173 A176L130-M160 PolarHBondContact O-N 3.32Å; A131-M160 WeakPolarHBondContact CA-O 3.19Å; G132-M160 PolarHBondContact N-O 2.85Å; G132-M160 VanDerWaalsContact N-O 3.16Å; M160-N169 HydrophobicContact CB-CB 4.43Å; M160-N169 HydrophobicContact SD-CB 4.41Å; M160-D172 HydrophobicContact CE-CB 4.24Å; M160-D172 HydrophobicContact SD-CB 3.92Å; M160-I173 HydrophobicContact SD-CB 3.97Å; M160-I173 HydrophobicContact SD-CG1 4.48Å; M160-A176 HydrophobicContact CE-CB 4.03Å
161E98.7Very high98.4Very high19 Ų1948.4 Ų48.49%0.08927%0.266CS..EExtended strand (participates in β ladder)trans-76.7143.8158.5-71.3-165.1163.700110.2V102 G132 A135 R141 F145 F159 M168 N169V102-E161 HydrophobicContact CG1-CG 4.48Å; G132-E161 CarbonylContact O-C 3.46Å; G132-E161 WeakPolarHBondContact O-CA 3.36Å; A135-E161 HydrophobicContact CB-CB 4.14Å; R141-E161 IonicContact CZ-OE1 3.23Å; R141-E161 VanDerWaalsContact CZ-OE1 3.23Å; R141-E161 IonicContact CZ-OE2 3.7Å; R141-E161 IonicContact NH1-OE1 2.64Å; R141-E161 PolarHBondContact NH1-OE1 3.3Å; R141-E161 IonicContact NH1-OE2 3.88Å; R141-E161 IonicContact NH2-OE1 2.99Å; R141-E161 PolarHBondContact NH2-OE1 3.34Å; R141-E161 IonicContact NH2-OE2 2.7Å; R141-E161 PolarHBondContact NH2-OE2 2.99Å; F145-E161 HydrophobicContact CD2-CG 3.78Å; F145-E161 HydrophobicContact CE2-CG 4.03Å; F159-E161 HydrophobicContact CZ-CG 4.13Å; E161-M168 HydrophobicContact CB-CE 4.1Å; E161-N169 WeakPolarHBondContact O-CB 3.27Å; E161-N169 PolarHBondContact O-ND2 2.92Å
162T98.8Very high98.4Very high0 Ų050.8 Ų50.80%028%0.28CS..  trans-132.1157.9-176.357.10000110.3A131 G132 N133 K134 A135 M168 N169 I173A131-T162 HydrophobicContact CB-CG2 4.48Å; G132-T162 PolarHBondContact O-N 3.25Å; N133-T162 CarbonylContact C-O 3.43Å; N133-T162 VanDerWaalsContact CA-O 3.3Å; N133-T162 WeakPolarHBondContact CA-O 3.38Å; N133-T162 WeakPolarHBondContact CA-OG1 3.3Å; N133-T162 PolarHBondContact OD1-O 2.92Å; N133-T162 PolarHBondContact OD1-OG1 3.22Å; K134-T162 PolarHBondContact N-O 3.44Å; K134-T162 VanDerWaalsContact N-O 3.09Å; A135-T162 WeakPolarHBondContact CB-O 3.38Å; A135-T162 PolarHBondContact N-O 3.26Å; A135-T162 VanDerWaalsContact N-O 3.1Å; T162-M168 WeakPolarHBondContact CA-O 3.3Å; T162-N169 HydrophobicContact CG2-CB 4.09Å; T162-I173 HydrophobicContact CG2-CD1 4.45Å; T162-I173 HydrophobicContact CG2-CG2 4.39Å
163S98.7Very high98.4Very high0 Ų051 Ų510%028%0.281CS..  trans-136.5110.3163.6171.70000108.9D136 K165 S166 A167 M168 V170D136-S163 WeakPolarHBondContact CB-OG 3.26Å; D136-S163 VanDerWaalsContact CG-OG 3.27Å; D136-S163 WeakPolarHBondContact OD1-CB 3.44Å; D136-S163 PolarHBondContact OD1-OG 2.56Å; S163-K165 PolarHBondContact O-N 3.48Å; S163-K165 PolarHBondContact OG-N 2.78Å; S163-S166 WeakPolarHBondContact CB-OG 3.21Å; S163-S166 PolarHBondContact OG-N 3.09Å; S163-S166 PolarHBondContact OG-OG 3.27Å; S163-A167 CarbonylContact O-C 3.46Å; S163-A167 WeakPolarHBondContact O-CA 3.49Å; S163-A167 PolarHBondContact O-N 3.1Å; S163-M168 PolarHBondContact N-O 2.97Å; S163-M168 PolarHBondContact O-N 3.19Å; S163-V170 WeakPolarHBondContact O-CG2 3.4Å
164A98.6Very high98.4Very high2 Ų245 Ų452%0.01725%0.253CS..THydrogen-bonded Turntrans-57.8-31.316900000111.9L36 R39 F45 N133L36-A164 HydrophobicContact CD2-CB 4.02Å; L36-A164 HydrophobicContact CG-CB 4.28Å; R39-A164 PolarHBondContact NE-O 3.12Å; R39-A164 PolarHBondContact NH2-O 2.99Å; F45-A164 HydrophobicContact CD2-CB 3.96Å; F45-A164 WeakPolarHBondContact CD2-O 3.19Å; F45-A164 HydrophobicContact CE2-CB 4.12Å; N133-A164 PolarHBondContact OD1-N 2.98Å
165K98.4Very high98.4Very high88 Ų8841 Ų4138%0.38323%0.234SC..THydrogen-bonded Turntrans-70.2-53.6-178.9-171.2166.4-175.1155.10111.9R39 F45 E47 D136 S163R39-K165 PolarHBondContact NH2-O 2.86Å; F45-K165 HydrophobicContact CD1-CB 4.43Å; F45-K165 HydrophobicContact CD1-CG 4.15Å; F45-K165 HydrophobicContact CD2-CB 4.31Å; F45-K165 HydrophobicContact CE1-CB 4.04Å; F45-K165 HydrophobicContact CE1-CD 4.02Å; F45-K165 HydrophobicContact CE1-CG 3.74Å; F45-K165 HydrophobicContact CE2-CB 3.91Å; F45-K165 HydrophobicContact CZ-CB 3.77Å; F45-K165 HydrophobicContact CZ-CD 4.13Å; F45-K165 HydrophobicContact CZ-CG 3.95Å; E47-K165 IonicContact OE1-NZ 3.13Å; E47-K165 PolarHBondContact OE1-NZ 2.88Å; E47-K165 VanDerWaalsContact OE1-NZ 3.13Å; E47-K165 WeakPolarHBondContact OE2-CE 3.36Å; E47-K165 IonicContact OE2-NZ 2.77Å; E47-K165 PolarHBondContact OE2-NZ 2.82Å; D136-K165 WeakPolarHBondContact OD2-CD 3.5Å; S163-K165 PolarHBondContact O-N 3.48Å; S163-K165 PolarHBondContact OG-N 2.78Å
166S98.2Very high98.4Very high74 Ų7439.6 Ų39.652%0.51723%0.232SC..THydrogen-bonded Turntrans-88.8-2.9-179.870.30000114.5S163 M168S163-S166 WeakPolarHBondContact CB-OG 3.21Å; S163-S166 PolarHBondContact OG-N 3.09Å; S163-S166 PolarHBondContact OG-OG 3.27Å; S166-M168 PolarHBondContact O-N 3.39Å; S166-M168 WeakPolarHBondContact OG-CB 3.06Å; S166-M168 PolarHBondContact OG-N 3.42Å
167A98.3Very high98.4Very high40 Ų4036.2 Ų36.233%0.33120%0.197SC..  trans65.99.7-172.100000115.3R39 S163 N169 V170R39-A167 HydrophobicContact CG-CB 4.13Å; S163-A167 CarbonylContact O-C 3.46Å; S163-A167 WeakPolarHBondContact O-CA 3.49Å; S163-A167 PolarHBondContact O-N 3.1Å; A167-N169 PolarHBondContact O-N 2.78Å; A167-V170 PolarHBondContact O-N 2.7Å
168M98.7Very high98.4Very high72 Ų7235.4 Ų35.436%0.35519%0.192SC..THydrogen-bonded Turntrans-58126.3177.8-172.8-175.385.800111.4A135 E161 T162 S163 S166 V170A135-M168 HydrophobicContact CB-CE 3.37Å; E161-M168 HydrophobicContact CB-CE 4.1Å; T162-M168 WeakPolarHBondContact CA-O 3.3Å; S163-M168 PolarHBondContact N-O 2.97Å; S163-M168 PolarHBondContact O-N 3.19Å; S166-M168 PolarHBondContact O-N 3.39Å; S166-M168 WeakPolarHBondContact OG-CB 3.06Å; S166-M168 PolarHBondContact OG-N 3.42Å; M168-V170 PolarHBondContact O-N 3.06Å
169N98.6Very high98.3Very high55 Ų5539.1 Ų39.129%0.29421%0.206SC..THydrogen-bonded Turntrans5512178.1-61.2-23.4000115.8M160 E161 T162 A167 D172 I173M160-N169 HydrophobicContact CB-CB 4.43Å; M160-N169 HydrophobicContact SD-CB 4.41Å; E161-N169 WeakPolarHBondContact O-CB 3.27Å; E161-N169 PolarHBondContact O-ND2 2.92Å; T162-N169 HydrophobicContact CG2-CB 4.09Å; A167-N169 PolarHBondContact O-N 2.78Å; N169-D172 WeakPolarHBondContact CA-OD2 3.46Å; N169-D172 HydrophobicContact CB-CB 4.42Å; N169-D172 PolarHBondContact O-N 3.37Å; N169-I173 PolarHBondContact O-N 2.94Å; N169-I173 VanDerWaalsContact O-N 3.1Å
170V98.7Very high98.1Very high1 Ų144.3 Ų44.31%0.00623%0.229CC..Hα-helixtrans-67.7-48.9-178.1177.40000110.2L36 R39 F40 S163 A167 M168 D172 I173 F174L36-V170 HydrophobicContact CD2-CG2 3.82Å; R39-V170 HydrophobicContact CB-CG1 4.13Å; R39-V170 HydrophobicContact CG-CB 4.17Å; R39-V170 HydrophobicContact CG-CG1 3.86Å; R39-V170 HydrophobicContact CG-CG2 4Å; F40-V170 HydrophobicContact CB-CG1 3.85Å; S163-V170 WeakPolarHBondContact O-CG2 3.4Å; A167-V170 PolarHBondContact O-N 2.7Å; M168-V170 PolarHBondContact O-N 3.06Å; V170-D172 VanDerWaalsContact C-N 3.33Å; V170-I173 WeakPolarHBondContact O-CG2 3.44Å; V170-F174 WeakPolarHBondContact O-CD2 3.42Å
171N97.9Very high98Very high81 Ų8141.7 Ų41.743%0.43322%0.216SC..Hα-helixtrans-69.8-35.3175.9-71.8-55.1000111.7F40 I173 F174 Q175F40-N171 WeakPolarHBondContact CD2-OD1 3.33Å; N171-I173 PolarHBondContact O-N 2.93Å; N171-F174 PolarHBondContact O-N 2.9Å; N171-Q175 WeakPolarHBondContact O-CB 3.45Å; N171-Q175 VanDerWaalsContact O-CG 3.31Å; N171-Q175 WeakPolarHBondContact O-CG 3.4Å; N171-Q175 PolarHBondContact O-N 2.99Å
172D98.5Very high97.6Very high70 Ų7044.8 Ų44.837%0.37424%0.238SC..Hα-helixtrans-64.5-39-173.8-57.4-60.6000112.4M160 N169 V170 Q175 A176M160-D172 HydrophobicContact CE-CB 4.24Å; M160-D172 HydrophobicContact SD-CB 3.92Å; N169-D172 WeakPolarHBondContact CA-OD2 3.46Å; N169-D172 HydrophobicContact CB-CB 4.42Å; N169-D172 PolarHBondContact O-N 3.37Å; V170-D172 VanDerWaalsContact C-N 3.33Å; D172-Q175 PolarHBondContact O-N 3.14Å; D172-A176 VanDerWaalsContact O-CB 3.31Å; D172-A176 WeakPolarHBondContact O-CB 3.41Å; D172-A176 PolarHBondContact O-N 3.49Å
173I98.7Very high97.1Very high4 Ų448.9 Ų48.92%0.02126%0.255CS..Hα-helixtrans-66.5-41.9177.7-163.8172.2000112I97 A129 A131 M160 T162 N169 V170 N171 A176 I177I97-I173 HydrophobicContact CG2-CD1 4.02Å; A129-I173 HydrophobicContact CB-CD1 4.06Å; A129-I173 HydrophobicContact CB-CG1 4.09Å; A131-I173 HydrophobicContact CB-CD1 3.64Å; M160-I173 HydrophobicContact SD-CB 3.97Å; M160-I173 HydrophobicContact SD-CG1 4.48Å; T162-I173 HydrophobicContact CG2-CD1 4.45Å; T162-I173 HydrophobicContact CG2-CG2 4.39Å; N169-I173 PolarHBondContact O-N 2.94Å; N169-I173 VanDerWaalsContact O-N 3.1Å; V170-I173 WeakPolarHBondContact O-CG2 3.44Å; N171-I173 PolarHBondContact O-N 2.93Å; I173-A176 PolarHBondContact O-N 2.87Å; I173-I177 HydrophobicContact CG1-CD1 4.38Å; I173-I177 WeakPolarHBondContact O-CD1 3.35Å; I173-I177 VanDerWaalsContact O-CG1 3.27Å; I173-I177 WeakPolarHBondContact O-CG1 3.29Å; I173-I177 PolarHBondContact O-N 3.39Å
174F98.3Very high96Very high2 Ų253.8 Ų53.81%0.00929%0.286CS..Hα-helixtrans-67.9-36.8175.8-72.3-81.8000111.7L23 F40 V62 F71 I73 I97 V170 N171 A178L23-F174 HydrophobicContact CD1-CD1 3.88Å; L23-F174 HydrophobicContact CD1-CE1 3.92Å; L23-F174 HydrophobicContact CD2-CE1 4.04Å; F40-F174 HydrophobicContact CB-CD2 3.92Å; F40-F174 HydrophobicContact CB-CE2 3.56Å; F40-F174 HydrophobicContact CB-CZ 4.21Å; F40-F174 AromaticContact CD1-CD1 3.83Å; F40-F174 HydrophobicContact CD1-CD1 3.83Å; F40-F174 AromaticContact CD1-CD2 3.58Å; F40-F174 HydrophobicContact CD1-CD2 3.58Å; F40-F174 AromaticContact CD1-CE1 3.77Å; F40-F174 HydrophobicContact CD1-CE1 3.77Å; F40-F174 AromaticContact CD1-CE2 3.57Å; F40-F174 HydrophobicContact CD1-CE2 3.57Å; F40-F174 AromaticContact CD1-CG 3.75Å; F40-F174 HydrophobicContact CD1-CG 3.75Å; F40-F174 AromaticContact CD1-CZ 3.66Å; F40-F174 HydrophobicContact CD1-CZ 3.66Å; F40-F174 HydrophobicContact CD2-CB 4.28Å; F40-F174 AromaticContact CD2-CD2 3.54Å; F40-F174 HydrophobicContact CD2-CD2 3.54Å; F40-F174 HydrophobicContact CD2-CE2 4.1Å; F40-F174 HydrophobicContact CD2-CG 4Å; F40-F174 HydrophobicContact CE1-CB 4.09Å; F40-F174 AromaticContact CE1-CD1 3.59Å; F40-F174 HydrophobicContact CE1-CD1 3.59Å; F40-F174 AromaticContact CE1-CD2 3.91Å; F40-F174 HydrophobicContact CE1-CD2 3.91Å; F40-F174 AromaticContact CE1-CE1 3.94Å; F40-F174 HydrophobicContact CE1-CE1 3.94Å; F40-F174 HydrophobicContact CE1-CE2 4.28Å; F40-F174 AromaticContact CE1-CG 3.59Å; F40-F174 HydrophobicContact CE1-CG 3.59Å; F40-F174 HydrophobicContact CE1-CZ 4.29Å; F40-F174 HydrophobicContact CE2-CB 3.76Å; F40-F174 AromaticContact CE2-CD2 3.91Å; F40-F174 HydrophobicContact CE2-CD2 3.91Å; F40-F174 AromaticContact CE2-CG 3.89Å; F40-F174 HydrophobicContact CE2-CG 3.89Å; F40-F174 HydrophobicContact CG-CD1 4.46Å; F40-F174 AromaticContact CG-CD2 3.37Å; F40-F174 HydrophobicContact CG-CD2 3.37Å; F40-F174 HydrophobicContact CG-CE1 4.49Å; F40-F174 AromaticContact CG-CE2 3.46Å; F40-F174 HydrophobicContact CG-CE2 3.46Å; F40-F174 VanDerWaalsContact CG-CE2 3.46Å; F40-F174 AromaticContact CG-CG 3.95Å; F40-F174 HydrophobicContact CG-CG 3.95Å; F40-F174 HydrophobicContact CG-CZ 4.04Å; F40-F174 HydrophobicContact CZ-CB 3.66Å; F40-F174 HydrophobicContact CZ-CD1 4.08Å; F40-F174 HydrophobicContact CZ-CD2 4.09Å; F40-F174 AromaticContact CZ-CG 3.68Å; F40-F174 HydrophobicContact CZ-CG 3.68Å; V62-F174 HydrophobicContact CG2-CB 4.32Å; F71-F174 HydrophobicContact CD2-CD1 4.24Å; F71-F174 HydrophobicContact CE2-CB 4.19Å; F71-F174 HydrophobicContact CE2-CD1 4.24Å; I73-F174 HydrophobicContact CD1-CE1 3.93Å; I73-F174 HydrophobicContact CD1-CZ 4.5Å; I97-F174 HydrophobicContact CD1-CD1 4.14Å; I97-F174 HydrophobicContact CD1-CE1 3.62Å; I97-F174 HydrophobicContact CD1-CE2 4.32Å; I97-F174 HydrophobicContact CD1-CZ 3.71Å; V170-F174 WeakPolarHBondContact O-CD2 3.42Å; N171-F174 PolarHBondContact O-N 2.9Å; F174-A178 WeakPolarHBondContact O-CB 3.19Å; F174-A178 PolarHBondContact O-N 2.71Å
175Q97.6Very high94.1Very high70 Ų7059.7 Ų59.733%0.32731%0.313SS..Hα-helixtrans-65.1-43173.1-73.8179.335.600112.2V62 N171 D172 I177 A178 K179V62-Q175 HydrophobicContact CG1-CG 3.7Å; N171-Q175 WeakPolarHBondContact O-CB 3.45Å; N171-Q175 VanDerWaalsContact O-CG 3.31Å; N171-Q175 WeakPolarHBondContact O-CG 3.4Å; N171-Q175 PolarHBondContact O-N 2.99Å; D172-Q175 PolarHBondContact O-N 3.14Å; Q175-I177 VanDerWaalsContact C-N 3.33Å; Q175-I177 PolarHBondContact O-N 3.49Å; Q175-A178 PolarHBondContact O-N 2.92Å; Q175-K179 WeakPolarHBondContact O-CG 3.46Å; Q175-K179 PolarHBondContact O-N 2.77Å
176A98.1Very high91.8Very high22 Ų2261.7 Ų61.718%0.18233%0.333CS..Hα-helixtrans-61.1-42.8177.800000111.5L158 M160 D172 I173 K179 K180L158-A176 HydrophobicContact CD1-CB 4.25Å; M160-A176 HydrophobicContact CE-CB 4.03Å; D172-A176 VanDerWaalsContact O-CB 3.31Å; D172-A176 WeakPolarHBondContact O-CB 3.41Å; D172-A176 PolarHBondContact O-N 3.49Å; I173-A176 PolarHBondContact O-N 2.87Å; A176-K179 PolarHBondContact O-N 3.13Å; A176-K180 PolarHBondContact O-N 3.31Å
177I98.2Very high89.1Confident0 Ų062.4 Ų62.40%034%0.338CS..Hα-helixtrans-62.1-50.6174.1-67.9164.2000110.7L23 F71 A95 I97 V127 A129 L158 I173 Q175 K179 K180 L181L23-I177 HydrophobicContact CD1-CD1 4.06Å; L23-I177 HydrophobicContact CD1-CG2 4.18Å; F71-I177 HydrophobicContact CE1-CG2 4.07Å; F71-I177 HydrophobicContact CZ-CB 4.39Å; F71-I177 HydrophobicContact CZ-CG2 3.95Å; A95-I177 HydrophobicContact CB-CG2 3.4Å; A95-I177 VanDerWaalsContact CB-CG2 3.4Å; I97-I177 HydrophobicContact CD1-CD1 3.68Å; I97-I177 HydrophobicContact CG1-CD1 3.49Å; I97-I177 VanDerWaalsContact CG1-CD1 3.49Å; V127-I177 HydrophobicContact CG1-CG2 4.39Å; A129-I177 HydrophobicContact CB-CD1 3.8Å; A129-I177 HydrophobicContact CB-CG1 3.97Å; L158-I177 HydrophobicContact CD1-CG1 3.87Å; I173-I177 HydrophobicContact CG1-CD1 4.38Å; I173-I177 WeakPolarHBondContact O-CD1 3.35Å; I173-I177 VanDerWaalsContact O-CG1 3.27Å; I173-I177 WeakPolarHBondContact O-CG1 3.29Å; I173-I177 PolarHBondContact O-N 3.39Å; Q175-I177 VanDerWaalsContact C-N 3.33Å; Q175-I177 PolarHBondContact O-N 3.49Å; I177-K179 PolarHBondContact O-N 2.87Å; I177-K180 PolarHBondContact O-N 3.06Å; I177-L181 HydrophobicContact CG2-CD1 3.85Å; I177-L181 HydrophobicContact CG2-CG 4.27Å; I177-L181 WeakPolarHBondContact O-CG 3.36Å; I177-L181 PolarHBondContact O-N 3.45Å
178A97.1Very high86.1Confident0 Ų064.5 Ų64.50%036%0.363CS..Hα-helixtrans-58.9-33.7179.600000112.6M64 V69 F71 F174 Q175M64-A178 HydrophobicContact CE-CB 3.19Å; M64-A178 HydrophobicContact SD-CB 4.42Å; V69-A178 HydrophobicContact CB-CB 3.91Å; V69-A178 HydrophobicContact CG1-CB 3.91Å; V69-A178 HydrophobicContact CG2-CB 3.89Å; F71-A178 HydrophobicContact CE2-CB 4.03Å; F71-A178 HydrophobicContact CZ-CB 3.73Å; F174-A178 WeakPolarHBondContact O-CB 3.19Å; F174-A178 PolarHBondContact O-N 2.71Å; Q175-A178 PolarHBondContact O-N 2.92Å
179K96Very high82.8Confident129 Ų12964.7 Ų64.756%0.56138%0.383SS*.Hα-helixtrans-68.2-34.2174-73.8172.7-175.1175.30112.5M64 Q175 A176 I177 K183M64-K179 HydrophobicContact CE-CG 3.78Å; M64-K179 HydrophobicContact SD-CG 4.23Å; Q175-K179 WeakPolarHBondContact O-CG 3.46Å; Q175-K179 PolarHBondContact O-N 2.77Å; A176-K179 PolarHBondContact O-N 3.13Å; I177-K179 PolarHBondContact O-N 2.87Å; K179-K183 PolarHBondContact O-NZ 2.7Å
180K96.4Very high79.5Confident145 Ų14565.5 Ų65.563%0.6341%0.405SS*.Hα-helixtrans-82.3-24.6-177.4-166.663.8170.5-177.40113.6V127 L158 A176 I177V127-K180 HydrophobicContact CG1-CB 3.99Å; V127-K180 HydrophobicContact CG1-CG 3.91Å; V127-K180 HydrophobicContact CG2-CB 4.13Å; V127-K180 HydrophobicContact CG2-CG 3.78Å; L158-K180 HydrophobicContact CD1-CB 4.44Å; A176-K180 PolarHBondContact O-N 3.31Å; I177-K180 PolarHBondContact O-N 3.06Å
181L95.9Very high77.1Confident2 Ų272.1 Ų72.11%0.0145%0.448CS..SBendtrans-66142.6-178.5-75.4167.1000112.7F21 F71 Q94 A95 V127 I177 K183F21-L181 HydrophobicContact CB-CD1 3.92Å; F21-L181 HydrophobicContact CD1-CD1 4.29Å; F21-L181 HydrophobicContact CD1-CD2 4.31Å; F21-L181 HydrophobicContact CD2-CB 4.21Å; F21-L181 HydrophobicContact CD2-CD1 3.62Å; F21-L181 HydrophobicContact CD2-CG 4.45Å; F21-L181 HydrophobicContact CE1-CB 4.3Å; F21-L181 HydrophobicContact CE2-CB 3.88Å; F21-L181 HydrophobicContact CE2-CD1 4.16Å; F21-L181 HydrophobicContact CG-CD1 3.69Å; F21-L181 HydrophobicContact CG-CD2 4.49Å; F21-L181 HydrophobicContact CG-CG 4.48Å; F21-L181 HydrophobicContact CZ-CB 3.94Å; F71-L181 HydrophobicContact CE1-CD1 3.67Å; F71-L181 HydrophobicContact CZ-CD1 4.23Å; Q94-L181 HydrophobicContact CB-CD2 3.65Å; Q94-L181 WeakPolarHBondContact O-CD2 3.47Å; A95-L181 HydrophobicContact CB-CD1 4.37Å; A95-L181 HydrophobicContact CB-CD2 4.32Å; V127-L181 HydrophobicContact CB-CD2 4.37Å; V127-L181 HydrophobicContact CG2-CD2 3.91Å; V127-L181 HydrophobicContact CG2-CG 4.33Å; I177-L181 HydrophobicContact CG2-CD1 3.85Å; I177-L181 HydrophobicContact CG2-CG 4.27Å; I177-L181 WeakPolarHBondContact O-CG 3.36Å; I177-L181 PolarHBondContact O-N 3.45Å; L181-K183 WeakPolarHBondContact O-CD 3.26Å; L181-K183 VanDerWaalsContact O-CE 3.31Å; L181-K183 WeakPolarHBondContact O-CE 3.37Å; L181-K183 PolarHBondContact O-N 3.08Å
182P91Very high74.3Confident84 Ų8472.8 Ų72.855%0.54547%0.465SS..  trans-69.5122.7-176.927.9-33.9000110.9F21 T184F21-P182 VanDerWaalsContact CZ-O 3.29Å; F21-P182 WeakPolarHBondContact CZ-O 3.18Å; P182-T184 PolarHBondContact O-N 2.99Å
183K86.7Confident71.2Confident85 Ų8573.1 Ų73.137%0.3749%0.485SS..  trans-95.387.2173.6-56.199.7179.5-166.70108.6F19 M67 K179 L181 E185F19-K183 HydrophobicContact CE1-CB 3.91Å; F19-K183 HydrophobicContact CE2-CB 4.22Å; F19-K183 HydrophobicContact CE2-CG 4.3Å; F19-K183 HydrophobicContact CZ-CB 3.7Å; F19-K183 HydrophobicContact CZ-CG 4.26Å; M67-K183 HydrophobicContact CE-CD 4.33Å; M67-K183 HydrophobicContact CE-CG 3.5Å; M67-K183 VanDerWaalsContact CE-CG 3.5Å; M67-K183 HydrophobicContact SD-CD 4.16Å; M67-K183 HydrophobicContact SD-CG 3.69Å; K179-K183 PolarHBondContact O-NZ 2.7Å; L181-K183 WeakPolarHBondContact O-CD 3.26Å; L181-K183 VanDerWaalsContact O-CE 3.31Å; L181-K183 WeakPolarHBondContact O-CE 3.37Å; L181-K183 PolarHBondContact O-N 3.08Å; K183-E185 PolarHBondContact O-N 2.64Å; K183-E185 VanDerWaalsContact O-N 3.17Å
184T76.2Confident68.2Low104 Ų10479.3 Ų79.364%0.63852%0.523SS*.  trans-70.7112.517048.60000107.8F19 P182 T186F19-T184 WeakPolarHBondContact CE1-O 3.41Å; P182-T184 PolarHBondContact O-N 2.99Å; T184-T186 VanDerWaalsContact C-N 3.35Å; T184-T186 PolarHBondContact O-N 3.38Å
185E59.5Low65.2Low125 Ų12583.3 Ų83.358%0.58456%0.564SS**  trans-54.9104.7165.5-60-128.8162.300107.4K17 K183 S187K17-E185 IonicContact NZ-OE1 2.82Å; K17-E185 PolarHBondContact NZ-OE1 2.84Å; K17-E185 IonicContact NZ-OE2 3.69Å; K17-E185 PolarHBondContact NZ-OE2 2.88Å; K183-E185 PolarHBondContact O-N 2.64Å; K183-E185 VanDerWaalsContact O-N 3.17Å; E185-S187 PolarHBondContact O-N 2.84Å
186T50.3Low62.3Low131 Ų13191.5 Ų91.580%0.80459%0.593SS**  trans-71.274.9151.443.80000105.4T184 G188T184-T186 VanDerWaalsContact C-N 3.35Å; T184-T186 PolarHBondContact O-N 3.38Å; T186-G188 PolarHBondContact O-N 3.07Å
187S41.1Very low59.5Low88 Ų8899.3 Ų99.362%0.61563%0.625SS**  trans-52.9123.8162-67.20000106.5E185E185-S187 PolarHBondContact O-N 2.84Å
188G33.9Very low56.6Low84 Ų84102.9 Ų102.987%0.86666%0.662SS**  trans-51.3144.6-171.600000113.8T186T186-G188 PolarHBondContact O-N 3.07Å
189G30.7Very low54.2Low76 Ų76109.7 Ų109.778%0.78470%0.697SS**  trans173.4107.217200000110.7
190G29.6Very low51.7Low73 Ų73110.8 Ų110.875%0.75371%0.709SS**  trans-62.8-171.817000000113.8
191P48.6Very low49.5Very low139 Ų139111.5 Ų111.590%0.90372%0.718SS**  trans-88.4129.3-145.733.6-33.2000113.5
192A39.1Very low46.5Very low96 Ų96118.1 Ų118.179%0.79375%0.754SS**  trans-134.7102.8151.100000104.8
193G32.3Very low44Very low76 Ų76125.6 Ų125.678%0.78477%0.771SS**  86.555.970.500000109.8
194T36.7Very low41.7Very low135 Ų135126.1 Ų126.183%0.82879%0.785SS**  trans-135.9110.4160.639.80000108.5R196T194-R196 PolarHBondContact O-N 3.2Å
195G33.6Very low39.8Very low85 Ų85128 Ų12888%0.87679%0.792SS**  trans-54.6130.4-170.100000113.4
196R38Very low38.6Very low243 Ų243131.6 Ų131.692%0.91781%0.808SS**  trans-118.6105.8150.6-167.4167.7171.1172.9-3.6106.9T194 G198T194-R196 PolarHBondContact O-N 3.2Å; R196-G198 PolarHBondContact O-N 3.35Å; R196-G198 VanDerWaalsContact O-N 3.14Å
197Q37.9Very low37.7Very low186 Ų186136.8 Ų136.887%0.86981%0.813SS**  trans-39.6110.9179.6-72.4158.4-1600111.4I199Q197-I199 PolarHBondContact O-N 3.02Å
198G37.9Very low37.4Very low74 Ų74136 Ų13676%0.76382%0.819SS**  trans-67.1119.3161.200000107.9R196 D200R196-G198 PolarHBondContact O-N 3.35Å; R196-G198 VanDerWaalsContact O-N 3.14Å; G198-D200 PolarHBondContact O-N 3.4Å
199I46.1Very low37.2Very low144 Ų144135.4 Ų135.474%0.73881%0.813SS**  trans-77.9104.2172-60.3163.9000105.8Q197 L201Q197-I199 PolarHBondContact O-N 3.02Å; I199-L201 HydrophobicContact CG2-CD2 4.22Å; I199-L201 HydrophobicContact CG2-CG 4.11Å; I199-L201 PolarHBondContact O-N 3.26Å; I199-L201 VanDerWaalsContact O-N 3.14Å
200D45Very low37.5Very low152 Ų152138.4 Ų138.481%0.81382%0.816SS**  trans-71.7100.6173.1-112.4-40.1000109.3G198 N202G198-D200 PolarHBondContact O-N 3.4Å; D200-N202 PolarHBondContact O-N 3.49Å
201L48.7Very low37.8Very low159 Ų159141.5 Ų141.583%0.83283%0.826SS**  trans-85.838177.8-73.8166.7000112.3I199I199-L201 HydrophobicContact CG2-CD2 4.22Å; I199-L201 HydrophobicContact CG2-CG 4.11Å; I199-L201 PolarHBondContact O-N 3.26Å; I199-L201 VanDerWaalsContact O-N 3.14Å
202N33.2Very low37.3Very low141 Ų141138.1 Ų138.175%0.75482%0.817SS**  trans-141.559.7174.8-152.222.5000112.5D200D200-N202 PolarHBondContact O-N 3.49Å
203R39.7Very low37.1Very low241 Ų241139.7 Ų139.791%0.90982%0.822SS**  trans-118.180.6162.3-158.5172.6177-174.6-1.4108.6
204S38.2Very low37.2Very low96 Ų96139.6 Ų139.667%0.67182%0.821SS**  trans-55140.2163.134.90000110.3Q206S204-Q206 PolarHBondContact O-N 3.31Å
205D36.1Very low37.2Very low144 Ų144138.1 Ų138.177%0.7782%0.816SS**  trans-44.7114-177.2-70.9-64.5000114.5
206Q34.4Very low36.7Very low200 Ų200139.1 Ų139.194%0.93581%0.808SS**  trans-131.876.5141.2-75.8-172.99.100107.7S204S204-Q206 PolarHBondContact O-N 3.31Å
207R32Very low36.4Very low241 Ų241133.4 Ų133.491%0.90980%0.804SS**  trans-97.5115.3163.2-87.7-175.7173.2-165.6-0108.7
208G33.8Very low36.5Very low71 Ų71138.2 Ų138.273%0.73282%0.822SS**  trans168.688.8162.300000106.8
209G30.6Very low36.5Very low71 Ų71141.4 Ų141.473%0.73283%0.825SS**  cis61.7106.135.100000107.9
210T36.9Very low36Very low139 Ų139141.3 Ų141.385%0.85383%0.83SS**  cis-161.1132.129.336.40000108.9G212T210-G212 PolarHBondContact O-N 2.87Å
211S35.6Very low35.5Very low138 Ų138140.7 Ų140.797%0.96583%0.831SS**  trans-78.791.8164.6-64.60000108.5
212G37.5Very low34.7Very low69 Ų69139.6 Ų139.671%0.71183%0.831SS**  trans-95.6112.1171.300000110.1T210 G214T210-G212 PolarHBondContact O-N 2.87Å; G212-G214 PolarHBondContact O-N 3.08Å
213S35.3Very low34.8Very low129 Ų129139.5 Ų139.590%0.90284%0.835SS**  trans-61.8125164.862.50000109.8
214G35Very low34.5Very low73 Ų73132.7 Ų132.775%0.75383%0.83SS**  trans-163.992.6177.900000112.3G212G212-G214 PolarHBondContact O-N 3.08Å
215S35.6Very low34.2Very low105 Ų105135.4 Ų135.473%0.73484%0.842SS**  trans32.2114.1146.5-166.30000120.4
216C24Very low34.1Very low105 Ų105134.7 Ų134.771%0.70985%0.847SS**  24.4124.8116.3-30.60000119
217C30.6Very low34Very low123 Ų123129.3 Ų129.383%0.83184%0.84SS**  151.4131.4107.9-840000113.9
218K41.4Very low34.2Very low287 Ų287119.1 Ų119.1100%1.24883%0.834SS**  trans73.20167-76.2-175.6175.9175.70118.8

Retrieved 218 of 218 residues in 157.3 ms (Link to these results)

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