A0A3P9N7R7_POERE Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A3P9N7R7, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 216 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
1M45.5Very low42.9Very low249 Ų249147.2 Ų147.2100%1.22787%0.872SS**  0110.80-91.8176.3166.100108.7
2A42.6Very low43.2Very low105 Ų105139.3 Ų139.387%0.86885%0.845SS**  trans171.489.5144.600000108.2
3S42.4Very low43.8Very low113 Ų113138.5 Ų138.579%0.7984%0.844SS**  trans-75.1146.5160.6166.60000109.1
4R41.8Very low43.9Very low247 Ų247140.1 Ų140.193%0.93285%0.845SS**  trans150.4130.8149.3-85.7164.2171.9-160.3-3.3108.8
5G36.3Very low44.6Very low72 Ų72137.4 Ų137.474%0.74284%0.844SS**  cis-179.2131.12.200000106.2A7G5-A7 PolarHBondContact O-N 3.41Å
6G37Very low45.5Very low78 Ų78132.3 Ų132.380%0.80483%0.826SS**  trans-65.6125.5175.700000110.3T8G6-T8 PolarHBondContact O-N 3.29Å; G6-T8 VanDerWaalsContact O-N 3.15Å
7A43.1Very low46.8Very low101 Ų101129.8 Ų129.884%0.83581%0.806SS**  trans-78.191.416700000108.4G5 R9G5-A7 PolarHBondContact O-N 3.41Å; A7-R9 PolarHBondContact O-N 3.15Å
8T45.1Very low48.8Very low138 Ų138127.3 Ų127.385%0.84778%0.782SS**  trans-67.8112.616232.70000108.3G6G6-T8 PolarHBondContact O-N 3.29Å; G6-T8 VanDerWaalsContact O-N 3.15Å
9R47.5Very low50.9Low227 Ų227127.1 Ų127.186%0.85777%0.774SS**  trans-63.2130.7168-66.4178.2173.1-171.4-2.9108.3A7 N11A7-R9 PolarHBondContact O-N 3.15Å; R9-N11 PolarHBondContact O-N 3.08Å; R9-N11 VanDerWaalsContact O-N 3.08Å
10P46.8Very low53Low126 Ų126121.1 Ų121.182%0.81874%0.738SS**  trans-71.4107168.527.8-27.9000107.6G12P10-G12 PolarHBondContact O-N 2.93Å
11N43.9Very low55Low163 Ų163118.9 Ų118.987%0.87272%0.719SS**  trans-64.691.1160.9-110.25.7000106.8R9R9-N11 PolarHBondContact O-N 3.08Å; R9-N11 VanDerWaalsContact O-N 3.08Å
12G46.1Very low57.5Low53 Ų53107.7 Ų107.755%0.54666%0.664SS.*  trans-59.5139159.500000108P10 N14P10-G12 PolarHBondContact O-N 2.93Å; G12-N14 PolarHBondContact O-N 2.9Å
13P51Low60.1Low129 Ų129104.3 Ų104.384%0.83863%0.63SS**  trans-58.4118.3173.524.8-30.6000106.8A15P13-A15 PolarHBondContact O-N 2.71Å
14N45.8Very low62.7Low160 Ų16099 Ų9986%0.85659%0.592SS**  trans-53.1108.8173.2-152.714000105.8G12 G16G12-N14 PolarHBondContact O-N 2.9Å; N14-G16 PolarHBondContact O-N 3Å
15A53.4Low65.4Low100 Ų10087.2 Ų87.283%0.82655%0.548SS*.  trans-70.765.2172.300000107.5P13 N17P13-A15 PolarHBondContact O-N 2.71Å; A15-N17 PolarHBondContact O-N 3.27Å
16G59.5Low68.4Low55 Ų5583.8 Ų83.857%0.56751%0.512SS*.  trans-62.5122.1169.500000106.3N14 K18N14-G16 PolarHBondContact O-N 3Å; G16-K18 PolarHBondContact O-N 3.01Å
17N67.3Low71.3Confident90 Ų9080.1 Ų80.148%0.48147%0.474SS..  trans-51.4107.9176.1-165.8-2.7000108.4A15 I19 T69A15-N17 PolarHBondContact O-N 3.27Å; N17-I19 PolarHBondContact O-N 3.32Å; N17-T69 VanDerWaalsContact CG-OG1 3.29Å; N17-T69 PolarHBondContact ND2-OG1 2.9Å; N17-T69 PolarHBondContact OD1-N 3.13Å; N17-T69 PolarHBondContact OD1-OG1 3.26Å
18K83.8Confident73.9Confident85 Ų8575.3 Ų75.337%0.3743%0.434SS..EExtended strand (participates in β ladder)trans-68.9124.3-170.6-159.4-179.5-176.4-1670107.6G16 T68 T69 K184G16-K18 PolarHBondContact O-N 3.01Å; K18-T68 CarbonylContact O-C 3.52Å; K18-T68 WeakPolarHBondContact O-CA 3.48Å; K18-T68 VanDerWaalsContact O-CG2 3.27Å; K18-T68 WeakPolarHBondContact O-CG2 3.41Å; K18-T69 PolarHBondContact O-N 2.83Å; K18-K184 PolarHBondContact NZ-O 2.75Å
19I89.1Confident76.3Confident123 Ų12370.9 Ų70.963%0.63140%0.404SS*.EExtended strand (participates in β ladder)trans-97.8119.4178.1-52.8179.3000108.5N17 T69N17-I19 PolarHBondContact O-N 3.32Å; I19-T69 CarbonylContact C-O 3.56Å; I19-T69 VanDerWaalsContact CA-O 3.31Å; I19-T69 WeakPolarHBondContact CA-O 2.98Å; I19-T69 HydrophobicContact CG1-CG2 4.47Å; I19-T69 HydrophobicContact CG2-CG2 4.46Å
20C92.5Very high78.5Confident7 Ų762.2 Ų62.25%0.04738%0.378CS..EExtended strand (participates in β ladder)trans-110.7139.4174.1-64.40000109.5F22 T68 T69 V70 K71C20-F22 HydrophobicContact CB-CD2 4.34Å; C20-F22 HydrophobicContact CB-CE2 3.53Å; C20-F22 HydrophobicContact CB-CZ 3.87Å; C20-T68 HydrophobicContact CB-CG2 4.37Å; C20-T69 PolarHBondContact N-O 2.86Å; C20-V70 CarbonylContact O-C 3.38Å; C20-V70 WeakPolarHBondContact O-CA 3.03Å; C20-K71 PolarHBondContact O-N 3.01Å
21Q94.9Very high80.8Confident75 Ų7560 Ų6035%0.3537%0.371SS..EExtended strand (participates in β ladder)trans-113.6131.2178.9-173.1167.64.100109.4K71 E73 Q188Q21-K71 WeakPolarHBondContact CA-O 3.23Å; Q21-E73 HydrophobicContact CG-CG 4.02Å; Q21-E73 PolarHBondContact NE2-OE1 2.89Å; Q21-Q188 PolarHBondContact O-OE1 2.74Å
22F96.6Very high83.4Confident14 Ų1452.3 Ų52.36%0.06133%0.33CS..EExtended strand (participates in β ladder)trans-134.4134-179.4-62.1-72.2000111C20 V70 K71 F72 E73 Q95 L182 P183C20-F22 HydrophobicContact CB-CD2 4.34Å; C20-F22 HydrophobicContact CB-CE2 3.53Å; C20-F22 HydrophobicContact CB-CZ 3.87Å; F22-V70 HydrophobicContact CD2-CG1 3.8Å; F22-V70 HydrophobicContact CE2-CG1 4.34Å; F22-V70 HydrophobicContact CE2-CG2 4.29Å; F22-K71 PolarHBondContact N-O 3.34Å; F22-F72 HydrophobicContact CB-CD1 4.44Å; F22-F72 WeakPolarHBondContact O-CA 3.42Å; F22-E73 PolarHBondContact O-N 2.89Å; F22-Q95 HydrophobicContact CD1-CB 4Å; F22-Q95 HydrophobicContact CD1-CG 3.98Å; F22-L182 HydrophobicContact CB-CD1 3.87Å; F22-L182 HydrophobicContact CD1-CD1 4.27Å; F22-L182 HydrophobicContact CD1-CD2 4.32Å; F22-L182 HydrophobicContact CD2-CB 4.17Å; F22-L182 HydrophobicContact CD2-CD1 3.64Å; F22-L182 HydrophobicContact CD2-CG 4.45Å; F22-L182 HydrophobicContact CE1-CB 4.23Å; F22-L182 HydrophobicContact CE2-CB 3.88Å; F22-L182 HydrophobicContact CE2-CD1 4.21Å; F22-L182 HydrophobicContact CG-CB 4.48Å; F22-L182 HydrophobicContact CG-CD1 3.67Å; F22-L182 HydrophobicContact CG-CG 4.45Å; F22-L182 HydrophobicContact CZ-CB 3.92Å; F22-P183 VanDerWaalsContact CZ-O 3.32Å; F22-P183 WeakPolarHBondContact CZ-O 3.27Å
23K97.4Very high85.8Confident35 Ų3550.5 Ų50.515%0.15231%0.311CS..EExtended strand (participates in β ladder)trans-78.6124.5170.9-178.2179174.6-175.50109.3E73 Y90 R92 A94 Q95 A96K23-E73 WeakPolarHBondContact CA-O 3.38Å; K23-Y90 WeakPolarHBondContact CE-O 3.31Å; K23-Y90 PolarHBondContact NZ-O 3.45Å; K23-R92 PolarHBondContact NZ-O 3.48Å; K23-A94 HydrophobicContact CD-CB 4.38Å; K23-A94 HydrophobicContact CG-CB 4.18Å; K23-Q95 PolarHBondContact O-N 3.04Å; K23-Q95 PolarHBondContact O-OE1 2.89Å; K23-A96 PolarHBondContact O-N 3.4Å
24L98.1Very high88.1Confident0 Ų044.8 Ų44.80%027%0.273CS..EExtended strand (participates in β ladder)trans-122133.9177.4-177.1152.9000109.1L26 F72 E73 I74 W75 A96 I98 F175 I178L24-L26 HydrophobicContact CD2-CD1 3.63Å; L24-L26 HydrophobicContact CD2-CG 4.39Å; L24-F72 HydrophobicContact CB-CD1 4.04Å; L24-F72 HydrophobicContact CD1-CD1 3.93Å; L24-F72 HydrophobicContact CD1-CE1 3.88Å; L24-F72 HydrophobicContact CD1-CZ 4.45Å; L24-E73 PolarHBondContact N-O 3.06Å; L24-E73 VanDerWaalsContact O-O 3.12Å; L24-I74 HydrophobicContact CD2-CG2 4.12Å; L24-I74 CarbonylContact O-C 3.45Å; L24-I74 WeakPolarHBondContact O-CA 3.13Å; L24-W75 PolarHBondContact O-N 2.81Å; L24-A96 WeakPolarHBondContact CA-O 3.21Å; L24-A96 HydrophobicContact CB-CB 4.34Å; L24-A96 HydrophobicContact CD1-CB 4.09Å; L24-A96 HydrophobicContact CG-CB 4.13Å; L24-I98 HydrophobicContact CD1-CD1 4.17Å; L24-I98 HydrophobicContact CD1-CG1 4.28Å; L24-I98 HydrophobicContact CD2-CD1 4.11Å; L24-I98 HydrophobicContact CD2-CG1 4.15Å; L24-I98 HydrophobicContact CG-CG1 4.49Å; L24-F175 HydrophobicContact CD1-CD1 3.96Å; L24-F175 HydrophobicContact CD1-CE1 4.06Å; L24-F175 HydrophobicContact CD2-CE1 4.1Å; L24-I178 HydrophobicContact CD1-CD1 4.08Å; L24-I178 HydrophobicContact CD1-CG2 4.23Å
25V98.3Very high90.5Very high0 Ų038.1 Ų38.10%024%0.239CC..EExtended strand (participates in β ladder)trans-116.8140.6177.364.80000110.9L27 W75 T77 A94 A96 A97 I98V25-L27 HydrophobicContact CG1-CD1 4.44Å; V25-L27 HydrophobicContact CG2-CD2 4.34Å; V25-L27 HydrophobicContact CG2-CG 4.25Å; V25-W75 HydrophobicContact CB-CB 4.36Å; V25-W75 HydrophobicContact CG2-CB 4.15Å; V25-T77 HydrophobicContact CG2-CG2 3.75Å; V25-A94 HydrophobicContact CG1-CB 4.08Å; V25-A96 PolarHBondContact N-O 3.44Å; V25-A96 VanDerWaalsContact N-O 3.1Å; V25-A97 HydrophobicContact CG1-CB 3.75Å; V25-A97 CarbonylContact O-C 3.55Å; V25-A97 VanDerWaalsContact O-CA 3.27Å; V25-A97 WeakPolarHBondContact O-CA 3.12Å; V25-I98 PolarHBondContact O-N 3.31Å
26L98.3Very high92.7Very high0 Ų034 Ų340%020%0.204CC..EExtended strand (participates in β ladder)trans-100.8131.4169.1-71.987.4000109.9L24 K34 V38 I74 W75 T77 I98 V100L24-L26 HydrophobicContact CD2-CD1 3.63Å; L24-L26 HydrophobicContact CD2-CG 4.39Å; L26-K34 HydrophobicContact CB-CB 4.3Å; L26-K34 HydrophobicContact CB-CD 4.2Å; L26-K34 HydrophobicContact CB-CG 4.45Å; L26-K34 HydrophobicContact CD2-CB 4.05Å; L26-V38 HydrophobicContact CD1-CG2 3.36Å; L26-V38 HydrophobicContact CD2-CG2 3.3Å; L26-V38 HydrophobicContact CG-CG2 3.94Å; L26-I74 HydrophobicContact CD1-CG2 3.33Å; L26-W75 PolarHBondContact N-O 3.47Å; L26-T77 WeakPolarHBondContact O-CB 3.49Å; L26-T77 WeakPolarHBondContact O-CG2 3.49Å; L26-T77 PolarHBondContact O-OG1 3.45Å; L26-I98 WeakPolarHBondContact CA-O 3.33Å; L26-I98 HydrophobicContact CG-CB 4.29Å; L26-V100 HydrophobicContact CD2-CG2 4.27Å
27L98.1Very high94.5Very high1 Ų131.4 Ų31.41%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-130.2159.3177.3-64.8168.1000109.9V25 T77 A87 Y91 I98 V99 V100 W115 L119V25-L27 HydrophobicContact CG1-CD1 4.44Å; V25-L27 HydrophobicContact CG2-CD2 4.34Å; V25-L27 HydrophobicContact CG2-CG 4.25Å; L27-T77 HydrophobicContact CD2-CG2 4.42Å; L27-A87 HydrophobicContact CD2-CB 4.26Å; L27-Y91 HydrophobicContact CD1-CD1 4.23Å; L27-I98 PolarHBondContact N-O 3.12Å; L27-V99 CarbonylContact O-C 3.52Å; L27-V99 WeakPolarHBondContact O-CA 3.27Å; L27-V100 PolarHBondContact O-N 3.23Å; L27-W115 HydrophobicContact CB-CD2 4.07Å; L27-W115 HydrophobicContact CB-CE3 4.34Å; L27-W115 HydrophobicContact CB-CG 4.17Å; L27-W115 HydrophobicContact CD1-CD2 4.48Å; L27-W115 HydrophobicContact CD1-CE3 3.95Å; L27-W115 HydrophobicContact CD1-CZ3 4.41Å; L27-W115 HydrophobicContact CD2-CE3 4.17Å; L27-W115 HydrophobicContact CD2-CH2 4.21Å; L27-W115 HydrophobicContact CD2-CZ3 4.03Å; L27-W115 HydrophobicContact CG-CE3 4.39Å; L27-L119 HydrophobicContact CD1-CD1 4Å; L27-L119 HydrophobicContact CD1-CD2 3.72Å; L27-L119 HydrophobicContact CD1-CG 3.98Å
28G97.6Very high95.9Very high0 Ų027.1 Ų27.10%015%0.154CC..  trans140.6165.9-174.500000111.8K34 G79 V100G28-K34 PolarHBondContact O-NZ 2.96Å; G28-G79 VanDerWaalsContact O-CA 3.24Å; G28-G79 WeakPolarHBondContact O-CA 3.39Å; G28-V100 WeakPolarHBondContact CA-O 2.83Å
29E96.1Very high96.6Very high45 Ų4524 Ų2421%0.2114%0.141CC..  trans-62.5166.3-178-174.1172.4-13700113V32 K34 G79 S108 R111E29-V32 HydrophobicContact CB-CG1 3.82Å; E29-V32 VanDerWaalsContact O-CG2 3.23Å; E29-V32 WeakPolarHBondContact O-CG2 3.41Å; E29-K34 PolarHBondContact O-NZ 2.98Å; E29-G79 CarbonylContact C-O 3.57Å; E29-S108 WeakPolarHBondContact OE2-CA 3.43Å; E29-S108 WeakPolarHBondContact OE2-CB 3.3Å; E29-R111 HydrophobicContact CB-CB 4.43Å
30S94.6Very high97Very high45 Ų4520.4 Ų20.432%0.31512%0.12SC..THydrogen-bonded Turntrans-57.8149.4170.1-164.30000111V32 G79S30-V32 PolarHBondContact O-N 3.41Å; S30-G79 PolarHBondContact N-O 2.8Å
31A95.3Very high97.2Very high80 Ų8020.5 Ų20.566%0.66112%0.12SC*.THydrogen-bonded Turntrans59.85.8175.200000118G33 K135A31-G33 PolarHBondContact O-N 2.84Å; A31-K135 WeakPolarHBondContact O-CE 3.18Å; A31-K135 PolarHBondContact O-NZ 3.1Å
32V97.5Very high97.3Very high2 Ų218.6 Ų18.61%0.01211%0.113CC..SBendtrans-70.5-14.6172.5-55.90000113.2E29 S30 K34 V100 D102 N134E29-V32 HydrophobicContact CB-CG1 3.82Å; E29-V32 VanDerWaalsContact O-CG2 3.23Å; E29-V32 WeakPolarHBondContact O-CG2 3.41Å; S30-V32 PolarHBondContact O-N 3.41Å; V32-K34 HydrophobicContact CG2-CD 4.48Å; V32-K34 HydrophobicContact CG2-CG 3.8Å; V32-V100 HydrophobicContact CB-CG1 4.37Å; V32-V100 HydrophobicContact CG2-CB 3.95Å; V32-V100 HydrophobicContact CG2-CG1 3.91Å; V32-D102 HydrophobicContact CB-CB 4.44Å; V32-D102 HydrophobicContact CG1-CB 4.4Å; V32-N134 PolarHBondContact O-ND2 2.94Å
33G97.3Very high97.3Very high14 Ų1423.9 Ų23.914%0.14414%0.136CC..SBendtrans98.425.1173.300000116.1A31 S35 S36 L37A31-G33 PolarHBondContact O-N 2.84Å; G33-S35 PolarHBondContact O-N 2.83Å; G33-S36 PolarHBondContact O-N 2.92Å; G33-L37 WeakPolarHBondContact O-CB 3.23Å; G33-L37 PolarHBondContact O-N 2.78Å
34K97.9Very high97.2Very high10 Ų1024.4 Ų24.44%0.04315%0.151CC..Hα-helixtrans-50.7-55.4173.5-61.1-174.3-60.7-74.90112.3L26 G28 E29 V32 S36 L37 V38 D76 T77 G79 V100L26-K34 HydrophobicContact CB-CB 4.3Å; L26-K34 HydrophobicContact CB-CD 4.2Å; L26-K34 HydrophobicContact CB-CG 4.45Å; L26-K34 HydrophobicContact CD2-CB 4.05Å; G28-K34 PolarHBondContact O-NZ 2.96Å; E29-K34 PolarHBondContact O-NZ 2.98Å; V32-K34 HydrophobicContact CG2-CD 4.48Å; V32-K34 HydrophobicContact CG2-CG 3.8Å; K34-S36 VanDerWaalsContact C-N 3.34Å; K34-S36 PolarHBondContact O-N 3.33Å; K34-L37 WeakPolarHBondContact O-CB 3.49Å; K34-L37 PolarHBondContact O-N 3.49Å; K34-L37 VanDerWaalsContact O-N 3.12Å; K34-V38 WeakPolarHBondContact O-CG2 3.43Å; K34-V38 PolarHBondContact O-N 2.82Å; K34-D76 WeakPolarHBondContact CB-OD1 3.36Å; K34-T77 WeakPolarHBondContact CE-O 3.27Å; K34-G79 VanDerWaalsContact NZ-CA 3.27Å; K34-V100 HydrophobicContact CG-CB 3.93Å; K34-V100 HydrophobicContact CG-CG2 3.94Å
35S97.8Very high97Very high20 Ų2028.7 Ų28.714%0.1417%0.171CC..Hα-helixtrans-62.6-40-179-46.50000112.5G33 L37 V38 L39 T53 D76G33-S35 PolarHBondContact O-N 2.83Å; S35-L37 VanDerWaalsContact C-N 3.34Å; S35-L37 PolarHBondContact O-N 2.95Å; S35-V38 PolarHBondContact O-N 2.79Å; S35-L39 WeakPolarHBondContact O-CB 3.32Å; S35-L39 PolarHBondContact O-N 2.84Å; S35-T53 PolarHBondContact OG-OG1 3.4Å; S35-D76 WeakPolarHBondContact CA-OD2 3.42Å; S35-D76 WeakPolarHBondContact CB-OD2 3.32Å; S35-D76 PolarHBondContact N-OD1 2.65Å; S35-D76 PolarHBondContact OG-OD1 3.01Å; S35-D76 PolarHBondContact OG-OD2 2.92Å
36S98.1Very high96.9Very high13 Ų1331.7 Ų31.79%0.09118%0.184CC..Hα-helixtrans-65.1-38175.5-52.10000111.9G33 K34 R40G33-S36 PolarHBondContact O-N 2.92Å; K34-S36 VanDerWaalsContact C-N 3.34Å; K34-S36 PolarHBondContact O-N 3.33Å; S36-R40 VanDerWaalsContact O-CB 3.27Å; S36-R40 WeakPolarHBondContact O-CB 3.34Å; S36-R40 PolarHBondContact O-N 3.25Å
37L98Very high96.7Very high0 Ų035.9 Ų35.90%020%0.203CC..Hα-helixtrans-65.4-46177.1-168.470.4000111.1G33 K34 S35 R40 F41 V100 A165 V171G33-L37 WeakPolarHBondContact O-CB 3.23Å; G33-L37 PolarHBondContact O-N 2.78Å; K34-L37 WeakPolarHBondContact O-CB 3.49Å; K34-L37 PolarHBondContact O-N 3.49Å; K34-L37 VanDerWaalsContact O-N 3.12Å; S35-L37 VanDerWaalsContact C-N 3.34Å; S35-L37 PolarHBondContact O-N 2.95Å; L37-R40 PolarHBondContact O-N 3.29Å; L37-F41 PolarHBondContact O-N 2.79Å; L37-V100 HydrophobicContact CD2-CG2 4.18Å; L37-A165 HydrophobicContact CD1-CB 4.47Å; L37-V171 HydrophobicContact CD1-CB 4.38Å; L37-V171 HydrophobicContact CD1-CG1 4.07Å; L37-V171 HydrophobicContact CD1-CG2 3.75Å
38V97.4Very high96.2Very high1 Ų142.1 Ų42.11%0.00623%0.233CC..Hα-helixtrans-66.3-44.7176.7-178.30000111.2L26 K34 S35 R40 F41 V42 L59 I74 D76L26-V38 HydrophobicContact CD1-CG2 3.36Å; L26-V38 HydrophobicContact CD2-CG2 3.3Å; L26-V38 HydrophobicContact CG-CG2 3.94Å; K34-V38 WeakPolarHBondContact O-CG2 3.43Å; K34-V38 PolarHBondContact O-N 2.82Å; S35-V38 PolarHBondContact O-N 2.79Å; V38-R40 VanDerWaalsContact C-N 3.27Å; V38-R40 PolarHBondContact O-N 3.05Å; V38-F41 PolarHBondContact O-N 2.8Å; V38-V42 HydrophobicContact CG1-CG2 3.81Å; V38-V42 WeakPolarHBondContact O-CB 3.27Å; V38-V42 WeakPolarHBondContact O-CG2 3.26Å; V38-V42 PolarHBondContact O-N 3.18Å; V38-L59 HydrophobicContact CG1-CB 4.25Å; V38-L59 HydrophobicContact CG1-CD1 3.88Å; V38-L59 HydrophobicContact CG1-CD2 4.07Å; V38-L59 HydrophobicContact CG1-CG 4.28Å; V38-I74 HydrophobicContact CG1-CD1 4.31Å; V38-I74 HydrophobicContact CG1-CG2 3.8Å; V38-I74 HydrophobicContact CG2-CG2 3.92Å; V38-D76 HydrophobicContact CG2-CB 4.34Å
39L97.1Very high95.7Very high18 Ų1850.8 Ų50.89%0.09427%0.27CS..Hα-helixtrans-58.9-42.2177-178.369.7000111.1S35 F41 K43 G44 Q45 H47S35-L39 WeakPolarHBondContact O-CB 3.32Å; S35-L39 PolarHBondContact O-N 2.84Å; L39-F41 VanDerWaalsContact C-N 3.35Å; L39-K43 HydrophobicContact CD1-CB 4.15Å; L39-K43 HydrophobicContact CD1-CD 3.67Å; L39-K43 HydrophobicContact CD1-CG 4.04Å; L39-K43 WeakPolarHBondContact O-CA 3.41Å; L39-K43 WeakPolarHBondContact O-CB 3.5Å; L39-K43 PolarHBondContact O-N 3.31Å; L39-G44 PolarHBondContact O-N 2.76Å; L39-Q45 CarbonylContact C-O 3.54Å; L39-Q45 HydrophobicContact CD2-CB 4.31Å; L39-Q45 HydrophobicContact CG-CB 4.16Å; L39-H47 VanDerWaalsContact CD2-ND1 3.26Å; L39-H47 WeakPolarHBondContact CD2-ND1 3.22Å
40R97.9Very high95.4Very high48 Ų4852.4 Ų52.418%0.18128%0.278CS..Hα-helixtrans-62.8-43.7177179.158.774.8176.116.8111.4S36 L37 V38 G44 Q45 A165 K166 S168 V171S36-R40 VanDerWaalsContact O-CB 3.27Å; S36-R40 WeakPolarHBondContact O-CB 3.34Å; S36-R40 PolarHBondContact O-N 3.25Å; L37-R40 PolarHBondContact O-N 3.29Å; V38-R40 VanDerWaalsContact C-N 3.27Å; V38-R40 PolarHBondContact O-N 3.05Å; R40-G44 PolarHBondContact NH1-O 2.94Å; R40-G44 WeakPolarHBondContact O-CA 3.4Å; R40-G44 PolarHBondContact O-N 2.85Å; R40-Q45 VanDerWaalsContact CA-O 3.24Å; R40-Q45 WeakPolarHBondContact CA-O 3.24Å; R40-Q45 PolarHBondContact N-O 3.5Å; R40-A165 PolarHBondContact NE-O 3.1Å; R40-A165 PolarHBondContact NH2-O 2.86Å; R40-K166 PolarHBondContact NH2-O 2.92Å; R40-S168 VanDerWaalsContact CD-OG 3.27Å; R40-S168 WeakPolarHBondContact CD-OG 3.13Å; R40-S168 PolarHBondContact NE-OG 3.15Å; R40-V171 HydrophobicContact CB-CG1 4.18Å; R40-V171 HydrophobicContact CG-CB 4.27Å; R40-V171 HydrophobicContact CG-CG1 3.91Å; R40-V171 HydrophobicContact CG-CG2 4.07Å
41F97.8Very high95.2Very high10 Ų1058.2 Ų58.24%0.04430%0.3CS..Hα-helixtrans-68.2-42.5178.8176.8-121.9000113.5L37 V38 L39 Q61 V63 F72 I74 V171 F175L37-F41 PolarHBondContact O-N 2.79Å; V38-F41 PolarHBondContact O-N 2.8Å; L39-F41 VanDerWaalsContact C-N 3.35Å; F41-Q61 HydrophobicContact CD1-CB 4.06Å; F41-Q61 HydrophobicContact CD1-CG 3.91Å; F41-Q61 HydrophobicContact CE1-CB 3.56Å; F41-Q61 HydrophobicContact CE1-CG 3.38Å; F41-Q61 HydrophobicContact CE2-CG 4.15Å; F41-Q61 HydrophobicContact CZ-CB 4.16Å; F41-Q61 HydrophobicContact CZ-CG 3.51Å; F41-Q61 PolarHBondContact O-NE2 3.48Å; F41-V63 HydrophobicContact CE2-CG2 4.1Å; F41-V63 HydrophobicContact CZ-CG2 3.56Å; F41-F72 HydrophobicContact CE1-CD2 4.3Å; F41-F72 HydrophobicContact CZ-CD2 4.34Å; F41-I74 HydrophobicContact CD1-CD1 3.85Å; F41-I74 HydrophobicContact CE1-CD1 3.89Å; F41-V171 HydrophobicContact CB-CG1 3.9Å; F41-F175 HydrophobicContact CB-CD2 3.88Å; F41-F175 HydrophobicContact CB-CE2 3.53Å; F41-F175 HydrophobicContact CB-CZ 4.19Å; F41-F175 AromaticContact CD1-CD1 3.87Å; F41-F175 HydrophobicContact CD1-CD1 3.87Å; F41-F175 AromaticContact CD1-CD2 3.6Å; F41-F175 HydrophobicContact CD1-CD2 3.6Å; F41-F175 AromaticContact CD1-CE1 3.87Å; F41-F175 HydrophobicContact CD1-CE1 3.87Å; F41-F175 AromaticContact CD1-CE2 3.66Å; F41-F175 HydrophobicContact CD1-CE2 3.66Å; F41-F175 AromaticContact CD1-CG 3.76Å; F41-F175 HydrophobicContact CD1-CG 3.76Å; F41-F175 AromaticContact CD1-CZ 3.79Å; F41-F175 HydrophobicContact CD1-CZ 3.79Å; F41-F175 HydrophobicContact CD2-CB 4.22Å; F41-F175 AromaticContact CD2-CD2 3.47Å; F41-F175 HydrophobicContact CD2-CD2 3.47Å; F41-F175 VanDerWaalsContact CD2-CD2 3.47Å; F41-F175 HydrophobicContact CD2-CE2 4.05Å; F41-F175 AromaticContact CD2-CG 3.97Å; F41-F175 HydrophobicContact CD2-CG 3.97Å; F41-F175 HydrophobicContact CE1-CB 4.01Å; F41-F175 AromaticContact CE1-CD1 3.64Å; F41-F175 HydrophobicContact CE1-CD1 3.64Å; F41-F175 AromaticContact CE1-CD2 3.9Å; F41-F175 HydrophobicContact CE1-CD2 3.9Å; F41-F175 HydrophobicContact CE1-CE1 4.05Å; F41-F175 HydrophobicContact CE1-CE2 4.34Å; F41-F175 AromaticContact CE1-CG 3.58Å; F41-F175 HydrophobicContact CE1-CG 3.58Å; F41-F175 HydrophobicContact CE1-CZ 4.4Å; F41-F175 HydrophobicContact CE2-CB 3.65Å; F41-F175 AromaticContact CE2-CD2 3.81Å; F41-F175 HydrophobicContact CE2-CD2 3.81Å; F41-F175 AromaticContact CE2-CG 3.83Å; F41-F175 HydrophobicContact CE2-CG 3.83Å; F41-F175 HydrophobicContact CG-CD1 4.47Å; F41-F175 AromaticContact CG-CD2 3.35Å; F41-F175 HydrophobicContact CG-CD2 3.35Å; F41-F175 AromaticContact CG-CE2 3.47Å; F41-F175 HydrophobicContact CG-CE2 3.47Å; F41-F175 VanDerWaalsContact CG-CE2 3.47Å; F41-F175 AromaticContact CG-CG 3.94Å; F41-F175 HydrophobicContact CG-CG 3.94Å; F41-F175 HydrophobicContact CG-CZ 4.08Å; F41-F175 HydrophobicContact CZ-CB 3.52Å; F41-F175 HydrophobicContact CZ-CD1 4.09Å; F41-F175 HydrophobicContact CZ-CD2 4Å; F41-F175 AromaticContact CZ-CG 3.62Å; F41-F175 HydrophobicContact CZ-CG 3.62Å
42V96.8Very high95Very high34 Ų3457.9 Ų57.921%0.20629%0.293CS..Hα-helixtrans-80.3-44.5-174.41780000111.5V38 L59 Q61 I74V38-V42 HydrophobicContact CG1-CG2 3.81Å; V38-V42 WeakPolarHBondContact O-CB 3.27Å; V38-V42 WeakPolarHBondContact O-CG2 3.26Å; V38-V42 PolarHBondContact O-N 3.18Å; V42-L59 HydrophobicContact CB-CD2 4.36Å; V42-L59 HydrophobicContact CG1-CD2 4.27Å; V42-L59 HydrophobicContact CG2-CB 4.15Å; V42-L59 HydrophobicContact CG2-CD2 4.12Å; V42-Q61 HydrophobicContact CG2-CB 4.07Å; V42-Q61 PolarHBondContact O-NE2 3.27Å; V42-I74 HydrophobicContact CG2-CD1 4.13Å
43K95.1Very high94.6Very high126 Ų12659 Ų5955%0.54830%0.3SS..Hα-helixtrans-112.9-6.5-171-59.7-165.8-173.1174.10114.1L39 Q45L39-K43 HydrophobicContact CD1-CB 4.15Å; L39-K43 HydrophobicContact CD1-CD 3.67Å; L39-K43 HydrophobicContact CD1-CG 4.04Å; L39-K43 WeakPolarHBondContact O-CA 3.41Å; L39-K43 WeakPolarHBondContact O-CB 3.5Å; L39-K43 PolarHBondContact O-N 3.31Å; K43-Q45 HydrophobicContact CB-CB 4.18Å; K43-Q45 HydrophobicContact CB-CG 4.12Å; K43-Q45 PolarHBondContact O-N 3.15Å
44G95.4Very high94.3Very high45 Ų4564.7 Ų64.746%0.46433%0.326SS..SBendtrans64.421.1-171.600000112.7L39 R40L39-G44 PolarHBondContact O-N 2.76Å; R40-G44 PolarHBondContact NH1-O 2.94Å; R40-G44 WeakPolarHBondContact O-CA 3.4Å; R40-G44 PolarHBondContact O-N 2.85Å
45Q95Very high93.9Very high91 Ų9164.8 Ų64.843%0.42533%0.329SS..  trans-114.1153.3-174.3-72.2174.2-1.400111.9L39 R40 K43L39-Q45 CarbonylContact C-O 3.54Å; L39-Q45 HydrophobicContact CD2-CB 4.31Å; L39-Q45 HydrophobicContact CG-CB 4.16Å; R40-Q45 VanDerWaalsContact CA-O 3.24Å; R40-Q45 WeakPolarHBondContact CA-O 3.24Å; R40-Q45 PolarHBondContact N-O 3.5Å; K43-Q45 HydrophobicContact CB-CB 4.18Å; K43-Q45 HydrophobicContact CB-CG 4.12Å; K43-Q45 PolarHBondContact O-N 3.15Å
46F95.8Very high93.7Very high63 Ų6365.2 Ų65.228%0.27633%0.334SS..  trans-139.2132.8171.1172.8-94.1000109E48 A165 K166F46-E48 HydrophobicContact CE1-CB 4.26Å; F46-A165 HydrophobicContact CD2-CB 4.07Å; F46-A165 HydrophobicContact CE2-CB 4.28Å; F46-K166 HydrophobicContact CD1-CG 4.23Å; F46-K166 HydrophobicContact CD2-CB 4.38Å; F46-K166 HydrophobicContact CE1-CB 4.2Å; F46-K166 HydrophobicContact CE1-CD 4.34Å; F46-K166 HydrophobicContact CE1-CG 3.86Å; F46-K166 HydrophobicContact CE2-CB 4.03Å; F46-K166 HydrophobicContact CZ-CB 3.94Å; F46-K166 HydrophobicContact CZ-CD 4.43Å; F46-K166 HydrophobicContact CZ-CG 4.06Å
47H93.4Very high93.5Very high87 Ų8766.4 Ų66.440%0.40335%0.345SS..  trans-112128.3171.5-56122.9000108.4L39 F49L39-H47 VanDerWaalsContact CD2-ND1 3.26Å; L39-H47 WeakPolarHBondContact CD2-ND1 3.22Å; H47-F49 VanDerWaalsContact C-N 3.27Å; H47-F49 PolarHBondContact O-N 2.89Å
48E87.6Confident93.4Very high133 Ų13371.2 Ų71.262%0.62137%0.366SS*.SBendtrans-64.1-37.2178.3-173.8156.1-141.700111.5F46F46-E48 HydrophobicContact CE1-CB 4.26Å
49F88.4Confident93.4Very high181 Ų18173 Ų7379%0.79438%0.375SS*.SBendtrans-108.177.6177.2-52.9-71.1000109.9H47H47-F49 VanDerWaalsContact C-N 3.27Å; H47-F49 PolarHBondContact O-N 2.89Å
50Q89.3Confident93.4Very high79 Ų7975.1 Ų75.137%0.36939%0.389SS..PPolyproline II helixtrans-81.7125.6174.1-176.262.832.600110
51E89.7Confident93.4Very high168 Ų16875.5 Ų75.579%0.78539%0.392SS*.PPolyproline II helixtrans-65.2153.6174.9-66.1-174.1164.300111.9T53E51-T53 PolarHBondContact O-N 2.7Å
52S92Very high93.3Very high73 Ų7378.2 Ų78.251%0.5141%0.41SS..PPolyproline II helixtrans-66125.2175.9-75.30000111I54S52-I54 PolarHBondContact O-N 2.85Å
53T89.9Confident93.1Very high25 Ų2577.2 Ų77.215%0.15340%0.404CS..PPolyproline II helixtrans-61.5129.5172-56.70000110.7S35 E51 D76 A78S35-T53 PolarHBondContact OG-OG1 3.4Å; E51-T53 PolarHBondContact O-N 2.7Å; T53-D76 PolarHBondContact OG1-OD2 3.25Å; T53-A78 WeakPolarHBondContact O-CB 3.47Å
54I89.6Confident92.9Very high134 Ų13475.6 Ų75.669%0.68741%0.408SS*.PPolyproline II helixtrans-98.1118.8174.3-59.9177.5000107.9S52 A56S52-I54 PolarHBondContact O-N 2.85Å; I54-A56 PolarHBondContact O-N 3.45Å; I54-A56 VanDerWaalsContact O-N 3.12Å
55G90.3Very high92.4Very high11 Ų1174.2 Ų74.211%0.11339%0.39CS..SBendtrans69.4-104.8-178.300000112.4A78G55-A78 VanDerWaalsContact O-CB 3.28Å; G55-A78 WeakPolarHBondContact O-CB 3.39Å; G55-A78 PolarHBondContact O-N 3.41Å
56A92.6Very high91.7Very high29 Ų2978.5 Ų78.524%0.2442%0.415CS..EExtended strand (participates in β ladder)trans-150.6148.5172.800000112.2I54 W75 D76 T77 Y90I54-A56 PolarHBondContact O-N 3.45Å; I54-A56 VanDerWaalsContact O-N 3.12Å; A56-W75 HydrophobicContact CB-CE3 4.27Å; A56-D76 CarbonylContact C-O 3.55Å; A56-D76 WeakPolarHBondContact CA-O 3.48Å; A56-D76 WeakPolarHBondContact CB-O 3.29Å; A56-T77 HydrophobicContact CB-CG2 4.35Å; A56-Y90 HydrophobicContact CB-CD1 3.84Å; A56-Y90 HydrophobicContact CB-CD2 4.35Å; A56-Y90 HydrophobicContact CB-CE1 3.33Å; A56-Y90 HydrophobicContact CB-CE2 3.89Å; A56-Y90 HydrophobicContact CB-CG 4.34Å
57A94.8Very high91.1Very high38 Ų3880.2 Ų80.231%0.31443%0.427SS..EExtended strand (participates in β ladder)trans-104.9142.3170.300000110.5L59 D76A57-L59 HydrophobicContact CB-CD1 4.06Å; A57-D76 HydrophobicContact CB-CB 4.33Å; A57-D76 PolarHBondContact N-O 2.86Å; A57-D76 PolarHBondContact O-N 2.91Å
58F96.2Very high90.9Very high102 Ų10276.4 Ų76.445%0.44741%0.41SS..EExtended strand (participates in β ladder)trans-106.2126.1176.5179.2-102000110.2T60 E73 I74 W75F58-T60 HydrophobicContact CE1-CG2 3.67Å; F58-T60 HydrophobicContact CZ-CG2 3.7Å; F58-E73 HydrophobicContact CE2-CB 3.83Å; F58-E73 HydrophobicContact CE2-CG 4.15Å; F58-E73 HydrophobicContact CZ-CB 4.17Å; F58-E73 HydrophobicContact CZ-CG 4.01Å; F58-I74 WeakPolarHBondContact CA-O 3.27Å; F58-W75 HydrophobicContact CD2-CD2 4.2Å; F58-W75 AromaticContact CD2-CE2 3.74Å; F58-W75 HydrophobicContact CD2-CH2 4.46Å; F58-W75 AromaticContact CD2-CZ2 3.9Å; F58-W75 HydrophobicContact CD2-CZ2 3.9Å; F58-W75 AromaticContact CD2-NE1 3.86Å; F58-W75 HydrophobicContact CE2-CZ2 4.31Å; F58-W75 AromaticContact CE2-NE1 3.94Å
59L97.1Very high91.1Very high38 Ų3870.7 Ų70.720%0.19939%0.385CS..EExtended strand (participates in β ladder)trans-132.3155.8176.8-61.297000109.9V38 V42 A57 I74 D76V38-L59 HydrophobicContact CG1-CB 4.25Å; V38-L59 HydrophobicContact CG1-CD1 3.88Å; V38-L59 HydrophobicContact CG1-CD2 4.07Å; V38-L59 HydrophobicContact CG1-CG 4.28Å; V42-L59 HydrophobicContact CB-CD2 4.36Å; V42-L59 HydrophobicContact CG1-CD2 4.27Å; V42-L59 HydrophobicContact CG2-CB 4.15Å; V42-L59 HydrophobicContact CG2-CD2 4.12Å; A57-L59 HydrophobicContact CB-CD1 4.06Å; L59-I74 HydrophobicContact CB-CB 4.38Å; L59-I74 PolarHBondContact N-O 2.98Å; L59-I74 WeakPolarHBondContact O-CA 3.26Å; L59-I74 PolarHBondContact O-N 3.44Å; L59-D76 HydrophobicContact CD1-CB 4.32Å
60T97.3Very high91.4Very high62 Ų6262.1 Ų62.138%0.3835%0.347SS..EExtended strand (participates in β ladder)trans-126.5138172.760.50000110.5F58 F72F58-T60 HydrophobicContact CE1-CG2 3.67Å; F58-T60 HydrophobicContact CZ-CG2 3.7Å; T60-F72 VanDerWaalsContact CA-O 3.23Å; T60-F72 WeakPolarHBondContact CA-O 3.17Å
61Q96.9Very high91.8Very high56 Ų5661.7 Ų61.726%0.26234%0.344SS..EExtended strand (participates in β ladder)trans-142.8141172.3-179.962.8-54.100110.9F41 V42 F72 I74F41-Q61 HydrophobicContact CD1-CB 4.06Å; F41-Q61 HydrophobicContact CD1-CG 3.91Å; F41-Q61 HydrophobicContact CE1-CB 3.56Å; F41-Q61 HydrophobicContact CE1-CG 3.38Å; F41-Q61 HydrophobicContact CE2-CG 4.15Å; F41-Q61 HydrophobicContact CZ-CB 4.16Å; F41-Q61 HydrophobicContact CZ-CG 3.51Å; F41-Q61 PolarHBondContact O-NE2 3.48Å; V42-Q61 HydrophobicContact CG2-CB 4.07Å; V42-Q61 PolarHBondContact O-NE2 3.27Å; Q61-F72 PolarHBondContact N-O 3.21Å; Q61-F72 VanDerWaalsContact N-O 3.15Å; Q61-F72 PolarHBondContact O-N 3.26Å; Q61-I74 HydrophobicContact CB-CD1 4.25Å
62T95.2Very high92.2Very high67 Ų6753.7 Ų53.741%0.41131%0.306SS..EExtended strand (participates in β ladder)trans-104.9134.2179.8-63.10000110.3T69 V70T62-T69 HydrophobicContact CG2-CG2 3.21Å; T62-V70 CarbonylContact C-O 3.59Å; T62-V70 WeakPolarHBondContact CA-O 3.36Å
63V93.4Very high92.5Very high14 Ų1452.8 Ų52.89%0.08529%0.294CS..EExtended strand (participates in β ladder)trans-117.9126.9173.4-177.50000108.3F41 L65 V70 F72 M176F41-V63 HydrophobicContact CE2-CG2 4.1Å; F41-V63 HydrophobicContact CZ-CG2 3.56Å; V63-L65 HydrophobicContact CG1-CD2 4.37Å; V63-V70 PolarHBondContact N-O 2.9Å; V63-V70 PolarHBondContact O-N 3.38Å; V63-F72 HydrophobicContact CG2-CD2 4.15Å; V63-F72 HydrophobicContact CG2-CE2 4Å; V63-M176 HydrophobicContact CG1-CG 3.9Å
64C90.4Very high92.9Very high92 Ų9251.6 Ų51.662%0.62229%0.287SS*.EExtended strand (participates in β ladder)trans-86.4120.3172.6-59.70000109.2
65L86.3Confident93.3Very high16 Ų1648.7 Ų48.78%0.08427%0.267CS..EExtended strand (participates in β ladder)trans-98.8162.1162.2-51.8174.1000108.3V63 D67 T68 V70 A179 K180V63-L65 HydrophobicContact CG1-CD2 4.37Å; L65-D67 PolarHBondContact O-N 2.83Å; L65-T68 CarbonylContact C-O 3.46Å; L65-T68 WeakPolarHBondContact CA-O 3.34Å; L65-T68 WeakPolarHBondContact CB-O 3.44Å; L65-T68 PolarHBondContact N-O 3.02Å; L65-T68 PolarHBondContact O-N 3.37Å; L65-T68 VanDerWaalsContact O-O 3.13Å; L65-V70 HydrophobicContact CD1-CG2 3.96Å; L65-A179 HydrophobicContact CD1-CB 4.11Å; L65-A179 HydrophobicContact CD2-CB 4.32Å; L65-K180 HydrophobicContact CD2-CG 4.16Å
66D80.5Confident93.6Very high180 Ų18048.4 Ų48.496%0.96326%0.263SS*.THydrogen-bonded Turntrans-52.7-36.2-172-56.4-38.5000113.6
67D81.9Confident93.7Very high100 Ų10047.3 Ų47.354%0.53525%0.254SS..THydrogen-bonded Turntrans-117.3-5-173.963.9-18.6000114.2L65 K184L65-D67 PolarHBondContact O-N 2.83Å; D67-K184 IonicContact OD1-NZ 2.66Å; D67-K184 PolarHBondContact OD1-NZ 3.19Å; D67-K184 IonicContact OD2-NZ 3.83Å
68T89.1Confident93.6Very high6 Ų646 Ų464%0.03724%0.243CC..EExtended strand (participates in β ladder)trans-157.5138.6-169.1-62.60000110.5K18 C20 L65 V70 K184K18-T68 CarbonylContact O-C 3.52Å; K18-T68 WeakPolarHBondContact O-CA 3.48Å; K18-T68 VanDerWaalsContact O-CG2 3.27Å; K18-T68 WeakPolarHBondContact O-CG2 3.41Å; C20-T68 HydrophobicContact CB-CG2 4.37Å; L65-T68 CarbonylContact C-O 3.46Å; L65-T68 WeakPolarHBondContact CA-O 3.34Å; L65-T68 WeakPolarHBondContact CB-O 3.44Å; L65-T68 PolarHBondContact N-O 3.02Å; L65-T68 PolarHBondContact O-N 3.37Å; L65-T68 VanDerWaalsContact O-O 3.13Å; T68-V70 HydrophobicContact CG2-CG2 4.39Å; T68-K184 HydrophobicContact CG2-CB 4.5Å; T68-K184 HydrophobicContact CG2-CD 4.1Å; T68-K184 HydrophobicContact CG2-CG 4.25Å
69T92.4Very high93Very high14 Ų1442.1 Ų42.19%0.08623%0.231CC..EExtended strand (participates in β ladder)trans-97.2123.6172.1-60.60000109.5N17 K18 I19 C20 T62N17-T69 VanDerWaalsContact CG-OG1 3.29Å; N17-T69 PolarHBondContact ND2-OG1 2.9Å; N17-T69 PolarHBondContact OD1-N 3.13Å; N17-T69 PolarHBondContact OD1-OG1 3.26Å; K18-T69 PolarHBondContact O-N 2.83Å; I19-T69 CarbonylContact C-O 3.56Å; I19-T69 VanDerWaalsContact CA-O 3.31Å; I19-T69 WeakPolarHBondContact CA-O 2.98Å; I19-T69 HydrophobicContact CG1-CG2 4.47Å; I19-T69 HydrophobicContact CG2-CG2 4.46Å; C20-T69 PolarHBondContact N-O 2.86Å; T62-T69 HydrophobicContact CG2-CG2 3.21Å
70V95.2Very high92.6Very high0 Ų042.4 Ų42.40%023%0.232CC..EExtended strand (participates in β ladder)trans-104.2118.8178.21710000109.6C20 F22 T62 V63 L65 T68 F72 A179C20-V70 CarbonylContact O-C 3.38Å; C20-V70 WeakPolarHBondContact O-CA 3.03Å; F22-V70 HydrophobicContact CD2-CG1 3.8Å; F22-V70 HydrophobicContact CE2-CG1 4.34Å; F22-V70 HydrophobicContact CE2-CG2 4.29Å; T62-V70 CarbonylContact C-O 3.59Å; T62-V70 WeakPolarHBondContact CA-O 3.36Å; V63-V70 PolarHBondContact N-O 2.9Å; V63-V70 PolarHBondContact O-N 3.38Å; L65-V70 HydrophobicContact CD1-CG2 3.96Å; T68-V70 HydrophobicContact CG2-CG2 4.39Å; V70-F72 HydrophobicContact CG1-CD1 4.3Å; V70-F72 HydrophobicContact CG1-CD2 4.28Å; V70-F72 HydrophobicContact CG1-CE1 4.02Å; V70-F72 HydrophobicContact CG1-CE2 4Å; V70-F72 HydrophobicContact CG1-CG 4.43Å; V70-F72 HydrophobicContact CG1-CZ 3.88Å; V70-A179 HydrophobicContact CB-CB 4.22Å; V70-A179 HydrophobicContact CG1-CB 4.17Å; V70-A179 HydrophobicContact CG2-CB 4.19Å
71K96.7Very high91.8Very high70 Ų7047.6 Ų47.630%0.30425%0.252SS..EExtended strand (participates in β ladder)trans-97.4114.5170.4-175-177.7178.2-172.20109.5C20 Q21 F22C20-K71 PolarHBondContact O-N 3.01Å; Q21-K71 WeakPolarHBondContact CA-O 3.23Å; F22-K71 PolarHBondContact N-O 3.34Å
72F97.9Very high91.4Very high0 Ų053 Ų530%027%0.27CS..EExtended strand (participates in β ladder)trans-84132.6171.7-71.5-63.4000111.3F22 L24 F41 T60 Q61 V63 V70 I74 F175 I178 A179 L182F22-F72 HydrophobicContact CB-CD1 4.44Å; F22-F72 WeakPolarHBondContact O-CA 3.42Å; L24-F72 HydrophobicContact CB-CD1 4.04Å; L24-F72 HydrophobicContact CD1-CD1 3.93Å; L24-F72 HydrophobicContact CD1-CE1 3.88Å; L24-F72 HydrophobicContact CD1-CZ 4.45Å; F41-F72 HydrophobicContact CE1-CD2 4.3Å; F41-F72 HydrophobicContact CZ-CD2 4.34Å; T60-F72 VanDerWaalsContact CA-O 3.23Å; T60-F72 WeakPolarHBondContact CA-O 3.17Å; Q61-F72 PolarHBondContact N-O 3.21Å; Q61-F72 VanDerWaalsContact N-O 3.15Å; Q61-F72 PolarHBondContact O-N 3.26Å; V63-F72 HydrophobicContact CG2-CD2 4.15Å; V63-F72 HydrophobicContact CG2-CE2 4Å; V70-F72 HydrophobicContact CG1-CD1 4.3Å; V70-F72 HydrophobicContact CG1-CD2 4.28Å; V70-F72 HydrophobicContact CG1-CE1 4.02Å; V70-F72 HydrophobicContact CG1-CE2 4Å; V70-F72 HydrophobicContact CG1-CG 4.43Å; V70-F72 HydrophobicContact CG1-CZ 3.88Å; F72-I74 HydrophobicContact CB-CD1 4.15Å; F72-I74 HydrophobicContact CB-CG1 3.72Å; F72-F175 HydrophobicContact CE2-CB 4.19Å; F72-F175 HydrophobicContact CE2-CD1 4.48Å; F72-F175 WeakPolarHBondContact CZ-O 3.02Å; F72-I178 HydrophobicContact CE1-CG2 4.08Å; F72-I178 HydrophobicContact CZ-CB 4.47Å; F72-I178 HydrophobicContact CZ-CG2 4.12Å; F72-A179 HydrophobicContact CE2-CB 4.1Å; F72-A179 HydrophobicContact CZ-CB 3.78Å; F72-L182 HydrophobicContact CE1-CD1 3.79Å; F72-L182 HydrophobicContact CZ-CD1 4.39Å
73E97.9Very high91.1Very high55 Ų5552.1 Ų52.126%0.25726%0.259SS..EExtended strand (participates in β ladder)trans-100.396.4163.4-73.8-168.814800108.5Q21 F22 K23 L24 F58Q21-E73 HydrophobicContact CG-CG 4.02Å; Q21-E73 PolarHBondContact NE2-OE1 2.89Å; F22-E73 PolarHBondContact O-N 2.89Å; K23-E73 WeakPolarHBondContact CA-O 3.38Å; L24-E73 PolarHBondContact N-O 3.06Å; L24-E73 VanDerWaalsContact O-O 3.12Å; F58-E73 HydrophobicContact CE2-CB 3.83Å; F58-E73 HydrophobicContact CE2-CG 4.15Å; F58-E73 HydrophobicContact CZ-CB 4.17Å; F58-E73 HydrophobicContact CZ-CG 4.01Å
74I98.3Very high90.8Very high0 Ų055.7 Ų55.70%027%0.274CS..EExtended strand (participates in β ladder)trans-94.3121.4-167.9-54.1173.7000109.8L24 L26 V38 F41 V42 F58 L59 Q61 F72 F175L24-I74 HydrophobicContact CD2-CG2 4.12Å; L24-I74 CarbonylContact O-C 3.45Å; L24-I74 WeakPolarHBondContact O-CA 3.13Å; L26-I74 HydrophobicContact CD1-CG2 3.33Å; V38-I74 HydrophobicContact CG1-CD1 4.31Å; V38-I74 HydrophobicContact CG1-CG2 3.8Å; V38-I74 HydrophobicContact CG2-CG2 3.92Å; F41-I74 HydrophobicContact CD1-CD1 3.85Å; F41-I74 HydrophobicContact CE1-CD1 3.89Å; V42-I74 HydrophobicContact CG2-CD1 4.13Å; F58-I74 WeakPolarHBondContact CA-O 3.27Å; L59-I74 HydrophobicContact CB-CB 4.38Å; L59-I74 PolarHBondContact N-O 2.98Å; L59-I74 WeakPolarHBondContact O-CA 3.26Å; L59-I74 PolarHBondContact O-N 3.44Å; Q61-I74 HydrophobicContact CB-CD1 4.25Å; F72-I74 HydrophobicContact CB-CD1 4.15Å; F72-I74 HydrophobicContact CB-CG1 3.72Å; I74-F175 HydrophobicContact CD1-CE1 4.27Å
75W97.9Very high90.8Very high72 Ų7256 Ų5627%0.27328%0.277SS..EExtended strand (participates in β ladder)trans-101.999.6171.9-68.181.8000109.4L24 V25 L26 A56 F58 T77 Y90L24-W75 PolarHBondContact O-N 2.81Å; V25-W75 HydrophobicContact CB-CB 4.36Å; V25-W75 HydrophobicContact CG2-CB 4.15Å; L26-W75 PolarHBondContact N-O 3.47Å; A56-W75 HydrophobicContact CB-CE3 4.27Å; F58-W75 HydrophobicContact CD2-CD2 4.2Å; F58-W75 AromaticContact CD2-CE2 3.74Å; F58-W75 HydrophobicContact CD2-CH2 4.46Å; F58-W75 AromaticContact CD2-CZ2 3.9Å; F58-W75 HydrophobicContact CD2-CZ2 3.9Å; F58-W75 AromaticContact CD2-NE1 3.86Å; F58-W75 HydrophobicContact CE2-CZ2 4.31Å; F58-W75 AromaticContact CE2-NE1 3.94Å; W75-T77 PolarHBondContact O-N 2.81Å; W75-Y90 HydrophobicContact CD2-CD1 4.39Å; W75-Y90 AromaticContact CE3-CD1 3.6Å; W75-Y90 HydrophobicContact CE3-CD1 3.6Å; W75-Y90 AromaticContact CE3-CE1 3.95Å; W75-Y90 HydrophobicContact CE3-CE1 3.95Å; W75-Y90 AromaticContact CZ3-CD1 3.98Å; W75-Y90 HydrophobicContact CZ3-CD1 3.98Å; W75-Y90 AromaticContact CZ3-CE1 3.99Å; W75-Y90 HydrophobicContact CZ3-CE1 3.99Å
76D97.1Very high91.1Very high5 Ų558.1 Ų58.13%0.02729%0.289CS..EExtended strand (participates in β ladder)trans-82.1109.4171177.140.9000109.3K34 S35 V38 T53 A56 A57 L59K34-D76 WeakPolarHBondContact CB-OD1 3.36Å; S35-D76 WeakPolarHBondContact CA-OD2 3.42Å; S35-D76 WeakPolarHBondContact CB-OD2 3.32Å; S35-D76 PolarHBondContact N-OD1 2.65Å; S35-D76 PolarHBondContact OG-OD1 3.01Å; S35-D76 PolarHBondContact OG-OD2 2.92Å; V38-D76 HydrophobicContact CG2-CB 4.34Å; T53-D76 PolarHBondContact OG1-OD2 3.25Å; A56-D76 CarbonylContact C-O 3.55Å; A56-D76 WeakPolarHBondContact CA-O 3.48Å; A56-D76 WeakPolarHBondContact CB-O 3.29Å; A57-D76 HydrophobicContact CB-CB 4.33Å; A57-D76 PolarHBondContact N-O 2.86Å; A57-D76 PolarHBondContact O-N 2.91Å; L59-D76 HydrophobicContact CD1-CB 4.32Å
77T95.6Very high91.6Very high7 Ų749.8 Ų49.84%0.04325%0.245CC..EExtended strand (participates in β ladder)trans-96153.4-17570.30000112.5V25 L26 L27 K34 A56 W75 Y90V25-T77 HydrophobicContact CG2-CG2 3.75Å; L26-T77 WeakPolarHBondContact O-CB 3.49Å; L26-T77 WeakPolarHBondContact O-CG2 3.49Å; L26-T77 PolarHBondContact O-OG1 3.45Å; L27-T77 HydrophobicContact CD2-CG2 4.42Å; K34-T77 WeakPolarHBondContact CE-O 3.27Å; A56-T77 HydrophobicContact CB-CG2 4.35Å; W75-T77 PolarHBondContact O-N 2.81Å; T77-Y90 HydrophobicContact CG2-CD2 3.69Å; T77-Y90 HydrophobicContact CG2-CE2 4.47Å; T77-Y90 HydrophobicContact CG2-CG 3.79Å
78A91.9Very high92.2Very high11 Ų1147.5 Ų47.59%0.09124%0.235CC..  trans-64.5134.4170.400000110.5T53 G55 Y83T53-A78 WeakPolarHBondContact O-CB 3.47Å; G55-A78 VanDerWaalsContact O-CB 3.28Å; G55-A78 WeakPolarHBondContact O-CB 3.39Å; G55-A78 PolarHBondContact O-N 3.41Å; A78-Y83 HydrophobicContact CB-CD2 3.47Å; A78-Y83 VanDerWaalsContact CB-CD2 3.47Å; A78-Y83 HydrophobicContact CB-CE2 4.2Å; A78-Y83 HydrophobicContact CB-CG 3.97Å
79G84.2Confident92.5Very high19 Ų1952.5 Ų52.520%0.19626%0.26CS..  trans-90.31.2176.500000114.9G28 E29 S30 K34G28-G79 VanDerWaalsContact O-CA 3.24Å; G28-G79 WeakPolarHBondContact O-CA 3.39Å; E29-G79 CarbonylContact C-O 3.57Å; S30-G79 PolarHBondContact N-O 2.8Å; K34-G79 VanDerWaalsContact NZ-CA 3.27Å
80Q88Confident92.6Very high45 Ų4553 Ų5321%0.2126%0.26CS..SBendtrans-78.2138.4180-57.3177.213.900110R82 Y83Q80-R82 HydrophobicContact CB-CG 4.33Å; Q80-R82 PolarHBondContact O-N 3.32Å; Q80-Y83 HydrophobicContact CB-CD2 3.99Å; Q80-Y83 HydrophobicContact CB-CE2 4.33Å; Q80-Y83 PolarHBondContact O-N 3.48Å
81E81.8Confident92.5Very high171 Ų17153.2 Ų53.280%0.79926%0.261SS*.G310 helixtrans-53.7-31.5-179.663.9-125.6-160.600114.1Y83 H84E81-Y83 PolarHBondContact O-N 3.28Å; E81-H84 WeakPolarHBondContact O-CB 3.39Å; E81-H84 PolarHBondContact O-N 3.47Å
82R87.8Confident92.5Very high170 Ų17059.5 Ų59.564%0.64228%0.283SS*.G310 helixtrans-59.4-23.8-179.3-23.5-171.3-58.2-176.53.3112.2Q80Q80-R82 HydrophobicContact CB-CG 4.33Å; Q80-R82 PolarHBondContact O-N 3.32Å
83Y88.1Confident92.2Very high47 Ų4761.6 Ų61.618%0.18430%0.304CS..G310 helixtrans-104.32.2178.8-56.3-66.8000113.1A78 Q80 E81 S85 L86A78-Y83 HydrophobicContact CB-CD2 3.47Å; A78-Y83 VanDerWaalsContact CB-CD2 3.47Å; A78-Y83 HydrophobicContact CB-CE2 4.2Å; A78-Y83 HydrophobicContact CB-CG 3.97Å; Q80-Y83 HydrophobicContact CB-CD2 3.99Å; Q80-Y83 HydrophobicContact CB-CE2 4.33Å; Q80-Y83 PolarHBondContact O-N 3.48Å; E81-Y83 PolarHBondContact O-N 3.28Å; Y83-S85 VanDerWaalsContact C-N 3.27Å; Y83-S85 PolarHBondContact O-N 3.43Å; Y83-L86 HydrophobicContact CD1-CD1 4.03Å; Y83-L86 WeakPolarHBondContact O-CA 3.18Å; Y83-L86 VanDerWaalsContact O-CB 3.32Å; Y83-L86 WeakPolarHBondContact O-CB 3.35Å; Y83-L86 PolarHBondContact O-N 2.89Å
84H88Confident92.2Very high89 Ų8959 Ų5941%0.41229%0.292SS..G310 helixtrans-58.7-37.5-177178.971.8000112.4E81 L86 A87 W115 E118E81-H84 WeakPolarHBondContact O-CB 3.39Å; E81-H84 PolarHBondContact O-N 3.47Å; H84-L86 PolarHBondContact O-N 3.34Å; H84-L86 VanDerWaalsContact O-N 3.1Å; H84-A87 VanDerWaalsContact O-CB 3.31Å; H84-A87 WeakPolarHBondContact O-CB 3.35Å; H84-A87 PolarHBondContact O-N 2.83Å; H84-W115 AromaticContact CE1-CH2 3.46Å; H84-W115 VanDerWaalsContact CE1-CH2 3.46Å; H84-W115 WeakPolarHBondContact CE1-CH2 3.47Å; H84-W115 AromaticContact CE1-CZ2 3.95Å; H84-W115 AromaticContact CE1-CZ3 3.83Å; H84-W115 AromaticContact ND1-CH2 3.03Å; H84-W115 WeakPolarHBondContact ND1-CH2 2.87Å; H84-W115 AromaticContact ND1-CZ2 3.34Å; H84-W115 VanDerWaalsContact ND1-CZ2 3.34Å; H84-W115 WeakPolarHBondContact ND1-CZ2 3.49Å; H84-W115 AromaticContact ND1-CZ3 3.87Å; H84-E118 IonicContact CE1-OE2 3.55Å; H84-E118 PolarHBondContact CE1-OE2 3.26Å; H84-E118 IonicContact NE2-OE2 3.16Å
85S90.6Very high92.2Very high98 Ų9860.8 Ų60.869%0.68530%0.301SS*.G310 helixtrans-62.9-15.7175.458.40000114.2Y83Y83-S85 VanDerWaalsContact C-N 3.27Å; Y83-S85 PolarHBondContact O-N 3.43Å
86L92.6Very high92.2Very high62 Ų6257.4 Ų57.433%0.32529%0.288SS..G310 helixtrans-91.2-9.6174.1-53.2179.6000112.6Y83 H84 P88 M89 Y90Y83-L86 HydrophobicContact CD1-CD1 4.03Å; Y83-L86 WeakPolarHBondContact O-CA 3.18Å; Y83-L86 VanDerWaalsContact O-CB 3.32Å; Y83-L86 WeakPolarHBondContact O-CB 3.35Å; Y83-L86 PolarHBondContact O-N 2.89Å; H84-L86 PolarHBondContact O-N 3.34Å; H84-L86 VanDerWaalsContact O-N 3.1Å; L86-P88 VanDerWaalsContact C-CD 3.48Å; L86-M89 HydrophobicContact CB-CG 4.25Å; L86-M89 HydrophobicContact CB-SD 4.15Å; L86-M89 HydrophobicContact CD2-SD 4.07Å; L86-M89 WeakPolarHBondContact O-CG 3.44Å; L86-M89 PolarHBondContact O-N 3.37Å; L86-Y90 HydrophobicContact CB-CE2 3.83Å; L86-Y90 WeakPolarHBondContact O-CD2 3.23Å; L86-Y90 WeakPolarHBondContact O-CE2 3.15Å
87A91.3Very high92.2Very high5 Ų557.1 Ų57.14%0.04129%0.287CS..Hα-helixtrans-58.2-40.3179.700000113.9L27 H84 M89 Y90 Y91 W115L27-A87 HydrophobicContact CD2-CB 4.26Å; H84-A87 VanDerWaalsContact O-CB 3.31Å; H84-A87 WeakPolarHBondContact O-CB 3.35Å; H84-A87 PolarHBondContact O-N 2.83Å; A87-M89 VanDerWaalsContact C-N 3.27Å; A87-M89 PolarHBondContact O-N 3.07Å; A87-Y90 PolarHBondContact O-N 2.85Å; A87-Y91 HydrophobicContact CB-CD1 4.4Å; A87-Y91 HydrophobicContact CB-CE1 4.22Å; A87-Y91 WeakPolarHBondContact O-CD1 3.45Å; A87-Y91 WeakPolarHBondContact O-CE1 3.29Å; A87-Y91 PolarHBondContact O-N 3.07Å; A87-Y91 VanDerWaalsContact O-N 3.15Å; A87-W115 HydrophobicContact CB-CH2 3.29Å; A87-W115 HydrophobicContact CB-CZ3 3.44Å; A87-W115 VanDerWaalsContact CB-CZ3 3.44Å
88P93.9Very high92.4Very high51 Ų5156.8 Ų56.833%0.33129%0.285SS..Hα-helixtrans-57.4-34.4177.8-26.134.7000114.8L86 Y90 Y91 R92L86-P88 VanDerWaalsContact C-CD 3.48Å; P88-Y90 VanDerWaalsContact C-N 3.29Å; P88-Y90 PolarHBondContact O-N 2.98Å; P88-Y91 VanDerWaalsContact CA-CE1 3.44Å; P88-Y91 VanDerWaalsContact CA-CZ 3.43Å; P88-Y91 HydrophobicContact CB-CE1 4.28Å; P88-Y91 HydrophobicContact CG-CE1 4.26Å; P88-Y91 WeakPolarHBondContact CG-OH 3.12Å; P88-R92 VanDerWaalsContact O-CB 3.27Å; P88-R92 WeakPolarHBondContact O-CB 3.27Å; P88-R92 PolarHBondContact O-N 3.48Å
89M94.3Very high92.7Very high111 Ų11156.3 Ų56.355%0.54728%0.28SS..Hα-helixtrans-69.3-28.5176.755.8172-7500112.4L86 A87L86-M89 HydrophobicContact CB-CG 4.25Å; L86-M89 HydrophobicContact CB-SD 4.15Å; L86-M89 HydrophobicContact CD2-SD 4.07Å; L86-M89 WeakPolarHBondContact O-CG 3.44Å; L86-M89 PolarHBondContact O-N 3.37Å; A87-M89 VanDerWaalsContact C-N 3.27Å; A87-M89 PolarHBondContact O-N 3.07Å
90Y94.4Very high93.4Very high25 Ų2555.4 Ų55.410%0.09827%0.271CS..Hα-helixtrans-81.9-45.2-178.5-61.6-56.3000112.9K23 A56 W75 T77 L86 A87 P88 R92K23-Y90 WeakPolarHBondContact CE-O 3.31Å; K23-Y90 PolarHBondContact NZ-O 3.45Å; A56-Y90 HydrophobicContact CB-CD1 3.84Å; A56-Y90 HydrophobicContact CB-CD2 4.35Å; A56-Y90 HydrophobicContact CB-CE1 3.33Å; A56-Y90 HydrophobicContact CB-CE2 3.89Å; A56-Y90 HydrophobicContact CB-CG 4.34Å; W75-Y90 HydrophobicContact CD2-CD1 4.39Å; W75-Y90 AromaticContact CE3-CD1 3.6Å; W75-Y90 HydrophobicContact CE3-CD1 3.6Å; W75-Y90 AromaticContact CE3-CE1 3.95Å; W75-Y90 HydrophobicContact CE3-CE1 3.95Å; W75-Y90 AromaticContact CZ3-CD1 3.98Å; W75-Y90 HydrophobicContact CZ3-CD1 3.98Å; W75-Y90 AromaticContact CZ3-CE1 3.99Å; W75-Y90 HydrophobicContact CZ3-CE1 3.99Å; T77-Y90 HydrophobicContact CG2-CD2 3.69Å; T77-Y90 HydrophobicContact CG2-CE2 4.47Å; T77-Y90 HydrophobicContact CG2-CG 3.79Å; L86-Y90 HydrophobicContact CB-CE2 3.83Å; L86-Y90 WeakPolarHBondContact O-CD2 3.23Å; L86-Y90 WeakPolarHBondContact O-CE2 3.15Å; A87-Y90 PolarHBondContact O-N 2.85Å; P88-Y90 VanDerWaalsContact C-N 3.29Å; P88-Y90 PolarHBondContact O-N 2.98Å; Y90-R92 VanDerWaalsContact C-N 3.32Å; Y90-R92 PolarHBondContact O-N 3.2Å
91Y95.1Very high93.9Very high5 Ų553.2 Ų53.22%0.0226%0.261CS..Hα-helixtrans-80.9-10.6179.165.7-112.2000113.8L27 A87 P88 G93 A94 E118 L119 Q122 A123L27-Y91 HydrophobicContact CD1-CD1 4.23Å; A87-Y91 HydrophobicContact CB-CD1 4.4Å; A87-Y91 HydrophobicContact CB-CE1 4.22Å; A87-Y91 WeakPolarHBondContact O-CD1 3.45Å; A87-Y91 WeakPolarHBondContact O-CE1 3.29Å; A87-Y91 PolarHBondContact O-N 3.07Å; A87-Y91 VanDerWaalsContact O-N 3.15Å; P88-Y91 VanDerWaalsContact CA-CE1 3.44Å; P88-Y91 VanDerWaalsContact CA-CZ 3.43Å; P88-Y91 HydrophobicContact CB-CE1 4.28Å; P88-Y91 HydrophobicContact CG-CE1 4.26Å; P88-Y91 WeakPolarHBondContact CG-OH 3.12Å; Y91-G93 PolarHBondContact O-N 3.23Å; Y91-G93 VanDerWaalsContact O-N 3.16Å; Y91-A94 VanDerWaalsContact O-CB 3.29Å; Y91-A94 WeakPolarHBondContact O-CB 3.28Å; Y91-A94 PolarHBondContact O-N 3Å; Y91-E118 PolarHBondContact OH-OE1 3.39Å; Y91-L119 HydrophobicContact CD1-CD2 4.14Å; Y91-L119 HydrophobicContact CD2-CD2 4.32Å; Y91-L119 HydrophobicContact CG-CD2 3.88Å; Y91-Q122 HydrophobicContact CE2-CB 4.07Å; Y91-Q122 PolarHBondContact OH-OE1 2.82Å; Y91-A123 HydrophobicContact CD2-CB 4.02Å; Y91-A123 HydrophobicContact CE2-CB 4.47Å
92R94.9Very high94.7Very high201 Ų20145.6 Ų45.676%0.75823%0.226SC*.THydrogen-bonded Turntrans-57.3122174.1-177.6177.618091.90.6110.7K23 P88 Y90 A94K23-R92 PolarHBondContact NZ-O 3.48Å; P88-R92 VanDerWaalsContact O-CB 3.27Å; P88-R92 WeakPolarHBondContact O-CB 3.27Å; P88-R92 PolarHBondContact O-N 3.48Å; Y90-R92 VanDerWaalsContact C-N 3.32Å; Y90-R92 PolarHBondContact O-N 3.2Å; R92-A94 PolarHBondContact O-N 3.46Å
93G93.3Very high95.2Very high44 Ų4437.5 Ų37.545%0.45420%0.195SC..THydrogen-bonded Turntrans71.59.3-17900000114.6Y91 Q95Y91-G93 PolarHBondContact O-N 3.23Å; Y91-G93 VanDerWaalsContact O-N 3.16Å; G93-Q95 PolarHBondContact O-OE1 2.99Å
94A96.9Very high95.7Very high0 Ų037.2 Ų37.20%020%0.198CC..  trans-71.9133.9171.700000110.1K23 V25 Y91 R92 I127K23-A94 HydrophobicContact CD-CB 4.38Å; K23-A94 HydrophobicContact CG-CB 4.18Å; V25-A94 HydrophobicContact CG1-CB 4.08Å; Y91-A94 VanDerWaalsContact O-CB 3.29Å; Y91-A94 WeakPolarHBondContact O-CB 3.28Å; Y91-A94 PolarHBondContact O-N 3Å; R92-A94 PolarHBondContact O-N 3.46Å; A94-I127 HydrophobicContact CB-CD1 4.37Å
95Q97.6Very high96.1Very high39 Ų3935.8 Ų35.818%0.18219%0.194CC..SBendtrans-88.7-18.5174.7-59.795.1-29.500111.9F22 K23 G93 V128 L182F22-Q95 HydrophobicContact CD1-CB 4Å; F22-Q95 HydrophobicContact CD1-CG 3.98Å; K23-Q95 PolarHBondContact O-N 3.04Å; K23-Q95 PolarHBondContact O-OE1 2.89Å; G93-Q95 PolarHBondContact O-OE1 2.99Å; Q95-V128 PolarHBondContact O-N 2.78Å; Q95-L182 HydrophobicContact CB-CD2 3.8Å; Q95-L182 WeakPolarHBondContact O-CD2 3.44Å
96A98.1Very high96.4Very high0 Ų036.9 Ų36.90%019%0.188CC..EExtended strand (participates in β ladder)trans-138152.3174.200000112.3K23 L24 V25 V128 I178 L182K23-A96 PolarHBondContact O-N 3.4Å; L24-A96 WeakPolarHBondContact CA-O 3.21Å; L24-A96 HydrophobicContact CB-CB 4.34Å; L24-A96 HydrophobicContact CD1-CB 4.09Å; L24-A96 HydrophobicContact CG-CB 4.13Å; V25-A96 PolarHBondContact N-O 3.44Å; V25-A96 VanDerWaalsContact N-O 3.1Å; A96-V128 CarbonylContact C-O 3.46Å; A96-V128 VanDerWaalsContact CA-O 3.23Å; A96-V128 WeakPolarHBondContact CA-O 3.46Å; A96-V128 HydrophobicContact CB-CB 4.46Å; A96-I178 HydrophobicContact CB-CG2 3.48Å; A96-I178 VanDerWaalsContact CB-CG2 3.48Å; A96-L182 HydrophobicContact CB-CD1 4.44Å; A96-L182 HydrophobicContact CB-CD2 4.38Å
97A98.4Very high96.6Very high0 Ų038.7 Ų38.70%020%0.195CC..EExtended strand (participates in β ladder)trans-135.7141.6169.800000110.8V25 L119 I127 V128 A130V25-A97 HydrophobicContact CG1-CB 3.75Å; V25-A97 CarbonylContact O-C 3.55Å; V25-A97 VanDerWaalsContact O-CA 3.27Å; V25-A97 WeakPolarHBondContact O-CA 3.12Å; A97-L119 HydrophobicContact CB-CD1 3.57Å; A97-L119 HydrophobicContact CB-CD2 4.28Å; A97-I127 HydrophobicContact CB-CD1 3.89Å; A97-V128 PolarHBondContact N-O 2.9Å; A97-A130 PolarHBondContact O-N 2.87Å
98I98.7Very high96.9Very high0 Ų038.5 Ų38.50%019%0.193CC..EExtended strand (participates in β ladder)trans-110.9115.9166.4-53.7179.3000107.7L24 V25 L26 L27 V100 A130 A132 I174 F175 I178L24-I98 HydrophobicContact CD1-CD1 4.17Å; L24-I98 HydrophobicContact CD1-CG1 4.28Å; L24-I98 HydrophobicContact CD2-CD1 4.11Å; L24-I98 HydrophobicContact CD2-CG1 4.15Å; L24-I98 HydrophobicContact CG-CG1 4.49Å; V25-I98 PolarHBondContact O-N 3.31Å; L26-I98 WeakPolarHBondContact CA-O 3.33Å; L26-I98 HydrophobicContact CG-CB 4.29Å; L27-I98 PolarHBondContact N-O 3.12Å; I98-V100 HydrophobicContact CG2-CG2 3.83Å; I98-A130 CarbonylContact C-O 3.55Å; I98-A130 WeakPolarHBondContact CA-O 3.46Å; I98-A130 HydrophobicContact CG1-CB 4.42Å; I98-A132 HydrophobicContact CG2-CB 3.84Å; I98-I174 HydrophobicContact CG2-CD1 4.14Å; I98-F175 HydrophobicContact CD1-CD1 3.93Å; I98-F175 HydrophobicContact CD1-CE1 3.44Å; I98-F175 VanDerWaalsContact CD1-CE1 3.44Å; I98-F175 HydrophobicContact CD1-CE2 4.32Å; I98-F175 HydrophobicContact CD1-CZ 3.65Å; I98-I178 HydrophobicContact CD1-CD1 3.71Å; I98-I178 HydrophobicContact CG1-CD1 3.51Å
99V98.6Very high97.1Very high0 Ų036.2 Ų36.20%018%0.178CC..EExtended strand (participates in β ladder)trans-94.3115.1171.9-173.30000107.9L27 A112 W115 V116 L119 I129 A130 L131 A132L27-V99 CarbonylContact O-C 3.52Å; L27-V99 WeakPolarHBondContact O-CA 3.27Å; V99-A112 HydrophobicContact CG1-CB 3.6Å; V99-W115 HydrophobicContact CG1-CB 3.84Å; V99-W115 HydrophobicContact CG2-CB 4.31Å; V99-V116 HydrophobicContact CB-CG2 4.34Å; V99-V116 HydrophobicContact CG1-CG2 4.4Å; V99-V116 HydrophobicContact CG2-CG2 4.04Å; V99-L119 HydrophobicContact CG2-CD1 3.75Å; V99-I129 HydrophobicContact CG2-CG2 4.14Å; V99-A130 PolarHBondContact N-O 3.25Å; V99-L131 HydrophobicContact CB-CD1 4.39Å; V99-L131 HydrophobicContact CG1-CD1 4.45Å; V99-L131 CarbonylContact O-C 3.42Å; V99-L131 WeakPolarHBondContact O-CA 3.2Å; V99-A132 PolarHBondContact O-N 3.41Å
100V98.7Very high97.3Very high0 Ų034.3 Ų34.30%017%0.172CC..EExtended strand (participates in β ladder)trans-104.8134.4-174.8-169.60000110L26 L27 G28 V32 K34 L37 I98 A132 N134L26-V100 HydrophobicContact CD2-CG2 4.27Å; L27-V100 PolarHBondContact O-N 3.23Å; G28-V100 WeakPolarHBondContact CA-O 2.83Å; V32-V100 HydrophobicContact CB-CG1 4.37Å; V32-V100 HydrophobicContact CG2-CB 3.95Å; V32-V100 HydrophobicContact CG2-CG1 3.91Å; K34-V100 HydrophobicContact CG-CB 3.93Å; K34-V100 HydrophobicContact CG-CG2 3.94Å; L37-V100 HydrophobicContact CD2-CG2 4.18Å; I98-V100 HydrophobicContact CG2-CG2 3.83Å; V100-A132 WeakPolarHBondContact CA-O 3.37Å; V100-A132 HydrophobicContact CG1-CB 4.5Å; V100-A132 HydrophobicContact CG2-CB 4.3Å; V100-N134 HydrophobicContact CG1-CB 3.72Å
101Y98.7Very high97.5Very high0 Ų038.7 Ų38.70%019%0.188CC..EExtended strand (participates in β ladder)trans-128.3168.4166.974.8-84.7000110.3I103 F109 L131 A132 N134 L144 A149 F160Y101-I103 HydrophobicContact CE2-CG2 4.02Å; Y101-F109 AromaticContact CD1-CD2 3.84Å; Y101-F109 HydrophobicContact CD1-CD2 3.84Å; Y101-F109 HydrophobicContact CD1-CE2 4.49Å; Y101-F109 HydrophobicContact CD2-CB 3.85Å; Y101-F109 HydrophobicContact CD2-CD2 4.03Å; Y101-F109 HydrophobicContact CD2-CG 4.33Å; Y101-F109 AromaticContact CE1-CD2 3.87Å; Y101-F109 HydrophobicContact CE1-CD2 3.87Å; Y101-F109 HydrophobicContact CE1-CE2 4.18Å; Y101-F109 HydrophobicContact CE2-CB 4.35Å; Y101-F109 HydrophobicContact CE2-CD2 4.09Å; Y101-F109 HydrophobicContact CE2-CG 4.47Å; Y101-F109 HydrophobicContact CG-CB 4.16Å; Y101-F109 AromaticContact CG-CD2 3.92Å; Y101-F109 HydrophobicContact CG-CD2 3.92Å; Y101-L131 HydrophobicContact CD1-CD1 3.74Å; Y101-L131 HydrophobicContact CD1-CG 4.21Å; Y101-L131 HydrophobicContact CE1-CD1 3.99Å; Y101-L131 HydrophobicContact CE1-CD2 4.24Å; Y101-L131 HydrophobicContact CE1-CG 3.94Å; Y101-A132 WeakPolarHBondContact CD1-O 3.35Å; Y101-A132 PolarHBondContact N-O 3.21Å; Y101-N134 WeakPolarHBondContact O-CB 3.41Å; Y101-N134 PolarHBondContact O-N 2.72Å; Y101-L144 HydrophobicContact CE2-CD2 4.04Å; Y101-A149 WeakPolarHBondContact OH-CB 3.46Å; Y101-F160 HydrophobicContact CE1-CE2 4.08Å
102D98.3Very high97.6Very high11 Ų1138.4 Ų38.46%0.05919%0.188CC..EExtended strand (participates in β ladder)trans-102.7123.4176.3175.9-7000109.6V32 T104 N105 S108 K135V32-D102 HydrophobicContact CB-CB 4.44Å; V32-D102 HydrophobicContact CG1-CB 4.4Å; D102-T104 PolarHBondContact O-N 3.42Å; D102-T104 VanDerWaalsContact O-N 3.08Å; D102-T104 WeakPolarHBondContact OD1-CB 3.21Å; D102-T104 PolarHBondContact OD1-N 2.87Å; D102-T104 PolarHBondContact OD1-OG1 3.1Å; D102-T104 PolarHBondContact OD2-OG1 3.39Å; D102-N105 HydrophobicContact CB-CB 4.19Å; D102-N105 CarbonylContact O-C 3.55Å; D102-N105 PolarHBondContact O-N 2.88Å; D102-N105 VanDerWaalsContact O-O 3.1Å; D102-S108 PolarHBondContact N-OG 3.5Å; D102-S108 PolarHBondContact O-OG 3.31Å; D102-K135 HydrophobicContact CB-CD 4.46Å; D102-K135 WeakPolarHBondContact OD2-CD 3.45Å; D102-K135 WeakPolarHBondContact OD2-CE 3.41Å; D102-K135 IonicContact OD2-NZ 2.79Å; D102-K135 PolarHBondContact OD2-NZ 3.48Å
103I98.4Very high97.8Very high0 Ų031.9 Ų31.90%016%0.164CC..THydrogen-bonded Turntrans-63.6-16.7-178.565.6155.6000113.8Y101 N134 A139 A143 L144 E162Y101-I103 HydrophobicContact CE2-CG2 4.02Å; I103-N134 PolarHBondContact N-O 3.06Å; I103-A139 HydrophobicContact CD1-CB 4.46Å; I103-A143 PolarHBondContact O-N 2.66Å; I103-L144 PolarHBondContact O-N 2.79Å; I103-E162 HydrophobicContact CG2-CG 4.44Å
104T98.1Very high97.9Very high41 Ų4133.4 Ų33.425%0.25216%0.162SC..THydrogen-bonded Turntrans-91.4-317771.60000113D102 L138 K141 A143D102-T104 PolarHBondContact O-N 3.42Å; D102-T104 VanDerWaalsContact O-N 3.08Å; D102-T104 WeakPolarHBondContact OD1-CB 3.21Å; D102-T104 PolarHBondContact OD1-N 2.87Å; D102-T104 PolarHBondContact OD1-OG1 3.1Å; D102-T104 PolarHBondContact OD2-OG1 3.39Å; T104-L138 HydrophobicContact CG2-CB 3.7Å; T104-L138 HydrophobicContact CG2-CD1 4.27Å; T104-K141 WeakPolarHBondContact CB-O 3.23Å; T104-K141 HydrophobicContact CG2-CB 4.16Å; T104-A143 WeakPolarHBondContact O-CB 3.46Å
105N97.5Very high98Very high59 Ų5934.7 Ų34.732%0.31617%0.167SC..  trans-133.2103.8-179-179-4000111.4D102 E107 S108D102-N105 HydrophobicContact CB-CB 4.19Å; D102-N105 CarbonylContact O-C 3.55Å; D102-N105 PolarHBondContact O-N 2.88Å; D102-N105 VanDerWaalsContact O-O 3.1Å; N105-E107 VanDerWaalsContact C-N 3.35Å; N105-E107 PolarHBondContact O-N 2.93Å; N105-E107 WeakPolarHBondContact OD1-CB 3.47Å; N105-E107 PolarHBondContact OD1-N 3.4Å; N105-S108 WeakPolarHBondContact O-CB 3.36Å; N105-S108 PolarHBondContact O-N 2.58Å; N105-S108 PolarHBondContact O-OG 2.87Å; N105-S108 PolarHBondContact OD1-N 3.42Å
106E96.7Very high98Very high120 Ų12032.9 Ų32.956%0.56116%0.159SC*.Hα-helixtrans-62.3-36.2178.8-171-179179.200113.3S108 F109 V110 L144E106-S108 PolarHBondContact O-N 3.49Å; E106-F109 WeakPolarHBondContact O-CB 3.27Å; E106-F109 PolarHBondContact O-N 2.99Å; E106-V110 PolarHBondContact O-N 3Å; E106-V110 VanDerWaalsContact O-N 3.14Å; E106-L144 HydrophobicContact CG-CD1 4.34Å
107E97.2Very high97.9Very high101 Ų10138.7 Ų38.747%0.47218%0.184SC..Hα-helixtrans-60.3-39.3177.6-174.4176.6179.300110.6N105 F109 V110 R111N105-E107 VanDerWaalsContact C-N 3.35Å; N105-E107 PolarHBondContact O-N 2.93Å; N105-E107 WeakPolarHBondContact OD1-CB 3.47Å; N105-E107 PolarHBondContact OD1-N 3.4Å; E107-F109 PolarHBondContact O-N 3.34Å; E107-V110 WeakPolarHBondContact O-CA 3.18Å; E107-V110 WeakPolarHBondContact O-CB 3.32Å; E107-V110 PolarHBondContact O-N 3.34Å; E107-R111 HydrophobicContact CG-CG 4.49Å; E107-R111 WeakPolarHBondContact O-CG 3.37Å; E107-R111 PolarHBondContact O-N 2.84Å; E107-R111 IonicContact OE1-CZ 3.67Å; E107-R111 IonicContact OE1-NE 2.74Å; E107-R111 IonicContact OE1-NH2 2.92Å; E107-R111 PolarHBondContact OE1-NH2 3.34Å
108S97.9Very high97.8Very high0 Ų039.9 Ų39.90%019%0.19CC..Hα-helixtrans-61.6-32178.581.30000112.5E29 D102 N105 E106 R111 A112E29-S108 WeakPolarHBondContact OE2-CA 3.43Å; E29-S108 WeakPolarHBondContact OE2-CB 3.3Å; D102-S108 PolarHBondContact N-OG 3.5Å; D102-S108 PolarHBondContact O-OG 3.31Å; N105-S108 WeakPolarHBondContact O-CB 3.36Å; N105-S108 PolarHBondContact O-N 2.58Å; N105-S108 PolarHBondContact O-OG 2.87Å; N105-S108 PolarHBondContact OD1-N 3.42Å; E106-S108 PolarHBondContact O-N 3.49Å; S108-R111 PolarHBondContact O-N 2.8Å; S108-A112 WeakPolarHBondContact O-CB 3.28Å; S108-A112 PolarHBondContact O-N 3.44Å
109F98.4Very high97.7Very high4 Ų440 Ų402%0.01819%0.19CC..Hα-helixtrans-71.8-40.5173.9-179.1-122.6000111.8Y101 E106 E107 R111 A112 K113 L131 L144 A149 Y152Y101-F109 AromaticContact CD1-CD2 3.84Å; Y101-F109 HydrophobicContact CD1-CD2 3.84Å; Y101-F109 HydrophobicContact CD1-CE2 4.49Å; Y101-F109 HydrophobicContact CD2-CB 3.85Å; Y101-F109 HydrophobicContact CD2-CD2 4.03Å; Y101-F109 HydrophobicContact CD2-CG 4.33Å; Y101-F109 AromaticContact CE1-CD2 3.87Å; Y101-F109 HydrophobicContact CE1-CD2 3.87Å; Y101-F109 HydrophobicContact CE1-CE2 4.18Å; Y101-F109 HydrophobicContact CE2-CB 4.35Å; Y101-F109 HydrophobicContact CE2-CD2 4.09Å; Y101-F109 HydrophobicContact CE2-CG 4.47Å; Y101-F109 HydrophobicContact CG-CB 4.16Å; Y101-F109 AromaticContact CG-CD2 3.92Å; Y101-F109 HydrophobicContact CG-CD2 3.92Å; E106-F109 WeakPolarHBondContact O-CB 3.27Å; E106-F109 PolarHBondContact O-N 2.99Å; E107-F109 PolarHBondContact O-N 3.34Å; F109-R111 VanDerWaalsContact C-N 3.28Å; F109-R111 PolarHBondContact O-N 3.37Å; F109-A112 WeakPolarHBondContact O-CB 3.38Å; F109-A112 PolarHBondContact O-N 2.95Å; F109-A112 VanDerWaalsContact O-N 3.13Å; F109-K113 HydrophobicContact CE1-CD 4.31Å; F109-K113 WeakPolarHBondContact O-CG 3.45Å; F109-K113 PolarHBondContact O-N 3.12Å; F109-L131 HydrophobicContact CE2-CD2 3.96Å; F109-L144 HydrophobicContact CB-CD1 3.85Å; F109-L144 HydrophobicContact CD1-CD1 3.07Å; F109-L144 HydrophobicContact CD1-CD2 4.37Å; F109-L144 HydrophobicContact CD1-CG 4.33Å; F109-L144 HydrophobicContact CE1-CD1 3.56Å; F109-L144 HydrophobicContact CE1-CD2 4.36Å; F109-L144 HydrophobicContact CG-CD1 3.6Å; F109-L144 HydrophobicContact CG-CD2 4.5Å; F109-A149 HydrophobicContact CE2-CB 4.16Å; F109-A149 HydrophobicContact CZ-CB 4.13Å; F109-Y152 HydrophobicContact CE2-CD1 4.16Å; F109-Y152 HydrophobicContact CZ-CD1 4.01Å; F109-Y152 HydrophobicContact CZ-CG 4.12Å
110V97.9Very high97.6Very high71 Ų7144.6 Ų44.643%0.4321%0.212SC..Hα-helixtrans-58.6-43.3172.6177.80000110.6E106 E107 K113 N114E106-V110 PolarHBondContact O-N 3Å; E106-V110 VanDerWaalsContact O-N 3.14Å; E107-V110 WeakPolarHBondContact O-CA 3.18Å; E107-V110 WeakPolarHBondContact O-CB 3.32Å; E107-V110 PolarHBondContact O-N 3.34Å; V110-K113 WeakPolarHBondContact O-CB 3.28Å; V110-K113 PolarHBondContact O-N 3.22Å; V110-N114 PolarHBondContact O-N 2.81Å
111R97.4Very high97.4Very high116 Ų11653.3 Ų53.344%0.43824%0.244SC..Hα-helixtrans-63.7-40174.3-60.5-62.1178.8172.1-2112.1E29 E107 S108 F109 K113 N114 W115E29-R111 HydrophobicContact CB-CB 4.43Å; E107-R111 HydrophobicContact CG-CG 4.49Å; E107-R111 WeakPolarHBondContact O-CG 3.37Å; E107-R111 PolarHBondContact O-N 2.84Å; E107-R111 IonicContact OE1-CZ 3.67Å; E107-R111 IonicContact OE1-NE 2.74Å; E107-R111 IonicContact OE1-NH2 2.92Å; E107-R111 PolarHBondContact OE1-NH2 3.34Å; S108-R111 PolarHBondContact O-N 2.8Å; F109-R111 VanDerWaalsContact C-N 3.28Å; F109-R111 PolarHBondContact O-N 3.37Å; R111-K113 PolarHBondContact O-N 2.78Å; R111-N114 WeakPolarHBondContact O-CB 3.34Å; R111-N114 PolarHBondContact O-N 3.15Å; R111-W115 VanDerWaalsContact O-CD1 3.3Å; R111-W115 PolarHBondContact O-N 3.49Å; R111-W115 VanDerWaalsContact O-N 3.12Å
112A98Very high97.2Very high0 Ų057.8 Ų57.80%027%0.266CS..Hα-helixtrans-60.4-41.7174.700000112.5V99 S108 F109 N114 W115 V116 L131V99-A112 HydrophobicContact CG1-CB 3.6Å; S108-A112 WeakPolarHBondContact O-CB 3.28Å; S108-A112 PolarHBondContact O-N 3.44Å; F109-A112 WeakPolarHBondContact O-CB 3.38Å; F109-A112 PolarHBondContact O-N 2.95Å; F109-A112 VanDerWaalsContact O-N 3.13Å; A112-N114 PolarHBondContact O-N 3.2Å; A112-W115 WeakPolarHBondContact O-CB 3.39Å; A112-W115 PolarHBondContact O-N 3.16Å; A112-W115 VanDerWaalsContact O-N 3.11Å; A112-V116 WeakPolarHBondContact O-CG2 3.1Å; A112-V116 PolarHBondContact O-N 3.24Å; A112-L131 HydrophobicContact CB-CD1 4.19Å
113K98.2Very high96.9Very high63 Ų6358.2 Ų58.227%0.27427%0.27SS..Hα-helixtrans-58.2-37.8174.2-66.4-178.1174.4169.90112.4F109 V110 R111 V116 K117 Y152F109-K113 HydrophobicContact CE1-CD 4.31Å; F109-K113 WeakPolarHBondContact O-CG 3.45Å; F109-K113 PolarHBondContact O-N 3.12Å; V110-K113 WeakPolarHBondContact O-CB 3.28Å; V110-K113 PolarHBondContact O-N 3.22Å; R111-K113 PolarHBondContact O-N 2.78Å; K113-V116 PolarHBondContact O-N 3.37Å; K113-K117 WeakPolarHBondContact O-CG 3.4Å; K113-K117 PolarHBondContact O-N 3.22Å; K113-K117 VanDerWaalsContact O-N 3.08Å; K113-Y152 HydrophobicContact CB-CE2 4.42Å; K113-Y152 HydrophobicContact CD-CD2 4.2Å; K113-Y152 HydrophobicContact CD-CE2 3.98Å; K113-Y152 HydrophobicContact CG-CD1 4.34Å; K113-Y152 HydrophobicContact CG-CD2 4.33Å; K113-Y152 HydrophobicContact CG-CE1 3.83Å; K113-Y152 HydrophobicContact CG-CE2 3.83Å
114N97.3Very high96.5Very high77 Ų7760.4 Ų60.441%0.41229%0.286SS..Hα-helixtrans-66.9-40.9176.6-64.3-25.4000111.6V110 R111 A112 K117 E118V110-N114 PolarHBondContact O-N 2.81Å; R111-N114 WeakPolarHBondContact O-CB 3.34Å; R111-N114 PolarHBondContact O-N 3.15Å; A112-N114 PolarHBondContact O-N 3.2Å; N114-K117 PolarHBondContact O-N 3.25Å; N114-E118 WeakPolarHBondContact O-CB 3.24Å; N114-E118 PolarHBondContact O-N 3.05Å
115W97.4Very high95.9Very high27 Ų2764.7 Ų64.710%0.10231%0.314CS..Hα-helixtrans-61.6-42.5173.6-77118.2000112.8L27 H84 A87 V99 R111 A112 K117 E118 L119L27-W115 HydrophobicContact CB-CD2 4.07Å; L27-W115 HydrophobicContact CB-CE3 4.34Å; L27-W115 HydrophobicContact CB-CG 4.17Å; L27-W115 HydrophobicContact CD1-CD2 4.48Å; L27-W115 HydrophobicContact CD1-CE3 3.95Å; L27-W115 HydrophobicContact CD1-CZ3 4.41Å; L27-W115 HydrophobicContact CD2-CE3 4.17Å; L27-W115 HydrophobicContact CD2-CH2 4.21Å; L27-W115 HydrophobicContact CD2-CZ3 4.03Å; L27-W115 HydrophobicContact CG-CE3 4.39Å; H84-W115 AromaticContact CE1-CH2 3.46Å; H84-W115 VanDerWaalsContact CE1-CH2 3.46Å; H84-W115 WeakPolarHBondContact CE1-CH2 3.47Å; H84-W115 AromaticContact CE1-CZ2 3.95Å; H84-W115 AromaticContact CE1-CZ3 3.83Å; H84-W115 AromaticContact ND1-CH2 3.03Å; H84-W115 WeakPolarHBondContact ND1-CH2 2.87Å; H84-W115 AromaticContact ND1-CZ2 3.34Å; H84-W115 VanDerWaalsContact ND1-CZ2 3.34Å; H84-W115 WeakPolarHBondContact ND1-CZ2 3.49Å; H84-W115 AromaticContact ND1-CZ3 3.87Å; A87-W115 HydrophobicContact CB-CH2 3.29Å; A87-W115 HydrophobicContact CB-CZ3 3.44Å; A87-W115 VanDerWaalsContact CB-CZ3 3.44Å; V99-W115 HydrophobicContact CG1-CB 3.84Å; V99-W115 HydrophobicContact CG2-CB 4.31Å; R111-W115 VanDerWaalsContact O-CD1 3.3Å; R111-W115 PolarHBondContact O-N 3.49Å; R111-W115 VanDerWaalsContact O-N 3.12Å; A112-W115 WeakPolarHBondContact O-CB 3.39Å; A112-W115 PolarHBondContact O-N 3.16Å; A112-W115 VanDerWaalsContact O-N 3.11Å; W115-K117 PolarHBondContact O-N 3.25Å; W115-E118 PolarHBondContact O-N 2.57Å; W115-L119 WeakPolarHBondContact O-CG 3.34Å; W115-L119 PolarHBondContact O-N 2.94Å
116V97.9Very high95.5Very high0 Ų069.1 Ų69.10%034%0.338CS..Hα-helixtrans-58.7-49175.4171.80000110.6V99 A112 K113 E118 L119 Q120 I129 Y152 L158V99-V116 HydrophobicContact CB-CG2 4.34Å; V99-V116 HydrophobicContact CG1-CG2 4.4Å; V99-V116 HydrophobicContact CG2-CG2 4.04Å; A112-V116 WeakPolarHBondContact O-CG2 3.1Å; A112-V116 PolarHBondContact O-N 3.24Å; K113-V116 PolarHBondContact O-N 3.37Å; V116-E118 VanDerWaalsContact C-N 3.3Å; V116-E118 PolarHBondContact O-N 2.77Å; V116-L119 PolarHBondContact O-N 2.78Å; V116-Q120 HydrophobicContact CG1-CG 4.45Å; V116-Q120 WeakPolarHBondContact O-CG 3.49Å; V116-Q120 PolarHBondContact O-N 2.92Å; V116-I129 HydrophobicContact CG2-CG2 4.47Å; V116-Y152 HydrophobicContact CG2-CE1 4.45Å; V116-L158 HydrophobicContact CG1-CD1 3.94Å; V116-L158 HydrophobicContact CG1-CD2 3.93Å; V116-L158 HydrophobicContact CG2-CD1 3.91Å
117K97.1Very high95.4Very high122 Ų12264.5 Ų64.553%0.5332%0.317SS..Hα-helixtrans-60.1-39.9177.3-70.7172.9-178.31780112.3K113 N114 W115 R121K113-K117 WeakPolarHBondContact O-CG 3.4Å; K113-K117 PolarHBondContact O-N 3.22Å; K113-K117 VanDerWaalsContact O-N 3.08Å; N114-K117 PolarHBondContact O-N 3.25Å; W115-K117 PolarHBondContact O-N 3.25Å; K117-R121 WeakPolarHBondContact O-CB 3.46Å; K117-R121 PolarHBondContact O-N 3.02Å; K117-R121 VanDerWaalsContact O-N 3.1Å
118E96Very high95.5Very high26 Ų2660.6 Ų60.612%0.12130%0.3CS..Hα-helixtrans-65.1-46.6177.9-174.5171.7145.500111.9H84 Y91 N114 W115 V116 R121 Q122H84-E118 IonicContact CE1-OE2 3.55Å; H84-E118 PolarHBondContact CE1-OE2 3.26Å; H84-E118 IonicContact NE2-OE2 3.16Å; Y91-E118 PolarHBondContact OH-OE1 3.39Å; N114-E118 WeakPolarHBondContact O-CB 3.24Å; N114-E118 PolarHBondContact O-N 3.05Å; W115-E118 PolarHBondContact O-N 2.57Å; V116-E118 VanDerWaalsContact C-N 3.3Å; V116-E118 PolarHBondContact O-N 2.77Å; E118-R121 PolarHBondContact O-N 2.84Å; E118-Q122 WeakPolarHBondContact O-CB 3.09Å; E118-Q122 PolarHBondContact O-N 2.86Å
119L96.9Very high95.5Very high1 Ų161.3 Ų61.31%0.00530%0.303CS..Hα-helixtrans-59.7-47.2175.7-72.9172000111.4L27 Y91 A97 V99 W115 V116 R121 Q122 A123 I127 I129L27-L119 HydrophobicContact CD1-CD1 4Å; L27-L119 HydrophobicContact CD1-CD2 3.72Å; L27-L119 HydrophobicContact CD1-CG 3.98Å; Y91-L119 HydrophobicContact CD1-CD2 4.14Å; Y91-L119 HydrophobicContact CD2-CD2 4.32Å; Y91-L119 HydrophobicContact CG-CD2 3.88Å; A97-L119 HydrophobicContact CB-CD1 3.57Å; A97-L119 HydrophobicContact CB-CD2 4.28Å; V99-L119 HydrophobicContact CG2-CD1 3.75Å; W115-L119 WeakPolarHBondContact O-CG 3.34Å; W115-L119 PolarHBondContact O-N 2.94Å; V116-L119 PolarHBondContact O-N 2.78Å; L119-R121 PolarHBondContact O-N 2.85Å; L119-Q122 PolarHBondContact O-N 3Å; L119-A123 HydrophobicContact CB-CB 4.35Å; L119-A123 HydrophobicContact CD2-CB 3.96Å; L119-A123 WeakPolarHBondContact O-CA 3.31Å; L119-A123 WeakPolarHBondContact O-CB 3.47Å; L119-A123 PolarHBondContact O-N 3.31Å; L119-I127 HydrophobicContact CD2-CD1 4.2Å; L119-I129 HydrophobicContact CB-CD1 3.8Å; L119-I129 HydrophobicContact CD1-CD1 4.23Å; L119-I129 HydrophobicContact CD1-CG1 4.36Å; L119-I129 HydrophobicContact CD1-CG2 4.23Å
120Q95.4Very high95.5Very high97 Ų9761.1 Ų61.145%0.45330%0.303SS..Hα-helixtrans-59.9-32.3177.5-73.3171.3-22.600112.6V116 I129V116-Q120 HydrophobicContact CG1-CG 4.45Å; V116-Q120 WeakPolarHBondContact O-CG 3.49Å; V116-Q120 PolarHBondContact O-N 2.92Å; Q120-I129 HydrophobicContact CG-CD1 4.05Å
121R94.9Very high95.5Very high183 Ų18357.7 Ų57.769%0.69128%0.282SS*.Hα-helixtrans-83.8-37-179.2-174.4179.865.7178.4-0.8113.6K117 E118 L119K117-R121 WeakPolarHBondContact O-CB 3.46Å; K117-R121 PolarHBondContact O-N 3.02Å; K117-R121 VanDerWaalsContact O-N 3.1Å; E118-R121 PolarHBondContact O-N 2.84Å; L119-R121 PolarHBondContact O-N 2.85Å
122Q93.4Very high95.6Very high95 Ų9552.2 Ų52.244%0.44426%0.261SS..Hα-helixtrans-123-18.5-164.6-60.1-169.27.800115.1Y91 E118 L119Y91-Q122 HydrophobicContact CE2-CB 4.07Å; Y91-Q122 PolarHBondContact OH-OE1 2.82Å; E118-Q122 WeakPolarHBondContact O-CB 3.09Å; E118-Q122 PolarHBondContact O-N 2.86Å; L119-Q122 PolarHBondContact O-N 3Å
123A93.4Very high95.6Very high19 Ų1952.2 Ų52.216%0.15726%0.261CS..SBendtrans-80.6-177.1177.900000111.2Y91 L119 I127Y91-A123 HydrophobicContact CD2-CB 4.02Å; Y91-A123 HydrophobicContact CE2-CB 4.47Å; L119-A123 HydrophobicContact CB-CB 4.35Å; L119-A123 HydrophobicContact CD2-CB 3.96Å; L119-A123 WeakPolarHBondContact O-CA 3.31Å; L119-A123 WeakPolarHBondContact O-CB 3.47Å; L119-A123 PolarHBondContact O-N 3.31Å; A123-I127 HydrophobicContact CB-CD1 3.88Å; A123-I127 HydrophobicContact CB-CG2 4.08Å
124S89.5Confident95.6Very high47 Ų4749.4 Ų49.433%0.32925%0.249SC..  trans-63.2138.6178.2-65.50000111.1N126 I127S124-N126 PolarHBondContact O-N 3.44Å; S124-I127 WeakPolarHBondContact O-CB 3.32Å; S124-I127 VanDerWaalsContact O-CG2 3.28Å; S124-I127 WeakPolarHBondContact O-CG2 3.49Å; S124-I127 PolarHBondContact O-N 2.95Å
125P85.3Confident95.7Very high131 Ų13148.2 Ų48.285%0.85124%0.241SC*.THydrogen-bonded Turntrans-56.4-21.8-175.1-28.634.7000115.9
126N89.1Confident95.7Very high151 Ų15147.6 Ų47.681%0.80724%0.241SC*.THydrogen-bonded Turntrans-112.223.3-178.5-60.3-38.3000112.7S124 V128S124-N126 PolarHBondContact O-N 3.44Å; N126-V128 PolarHBondContact O-N 2.82Å
127I95.6Very high95.7Very high24 Ų2450.3 Ų50.312%0.12326%0.255CS..  trans-65.3129.5178-169.5168.9000110.4A94 A97 L119 A123 S124 I129A94-I127 HydrophobicContact CB-CD1 4.37Å; A97-I127 HydrophobicContact CB-CD1 3.89Å; L119-I127 HydrophobicContact CD2-CD1 4.2Å; A123-I127 HydrophobicContact CB-CD1 3.88Å; A123-I127 HydrophobicContact CB-CG2 4.08Å; S124-I127 WeakPolarHBondContact O-CB 3.32Å; S124-I127 VanDerWaalsContact O-CG2 3.28Å; S124-I127 WeakPolarHBondContact O-CG2 3.49Å; S124-I127 PolarHBondContact O-N 2.95Å; I127-I129 HydrophobicContact CG2-CD1 4.1Å; I127-I129 HydrophobicContact CG2-CG1 3.91Å; I127-I129 PolarHBondContact O-N 2.61Å
128V97.6Very high95.7Very high19 Ų1947.3 Ų47.312%0.11525%0.245CC..EExtended strand (participates in β ladder)trans-81114.6171.7178.80000108.3Q95 A96 A97 N126 L159 I178 K181 L182Q95-V128 PolarHBondContact O-N 2.78Å; A96-V128 CarbonylContact C-O 3.46Å; A96-V128 VanDerWaalsContact CA-O 3.23Å; A96-V128 WeakPolarHBondContact CA-O 3.46Å; A96-V128 HydrophobicContact CB-CB 4.46Å; A97-V128 PolarHBondContact N-O 2.9Å; N126-V128 PolarHBondContact O-N 2.82Å; V128-L159 HydrophobicContact CG1-CD1 3.86Å; V128-I178 HydrophobicContact CG1-CG2 4.46Å; V128-K181 HydrophobicContact CG1-CB 4.02Å; V128-K181 HydrophobicContact CG1-CD 4.15Å; V128-K181 HydrophobicContact CG2-CB 4.08Å; V128-L182 HydrophobicContact CB-CD2 4.42Å; V128-L182 HydrophobicContact CG2-CD2 3.93Å; V128-L182 HydrophobicContact CG2-CG 4.43Å
129I98.3Very high95.7Very high14 Ų1448.4 Ų48.47%0.07226%0.259CS..EExtended strand (participates in β ladder)trans-102.5127.5178.8-52176.4000109.3V99 V116 L119 Q120 I127 L158 L159V99-I129 HydrophobicContact CG2-CG2 4.14Å; V116-I129 HydrophobicContact CG2-CG2 4.47Å; L119-I129 HydrophobicContact CB-CD1 3.8Å; L119-I129 HydrophobicContact CD1-CD1 4.23Å; L119-I129 HydrophobicContact CD1-CG1 4.36Å; L119-I129 HydrophobicContact CD1-CG2 4.23Å; Q120-I129 HydrophobicContact CG-CD1 4.05Å; I127-I129 HydrophobicContact CG2-CD1 4.1Å; I127-I129 HydrophobicContact CG2-CG1 3.91Å; I127-I129 PolarHBondContact O-N 2.61Å; I129-L158 HydrophobicContact CB-CD2 3.89Å; I129-L158 HydrophobicContact CG2-CD2 3.9Å; I129-L159 PolarHBondContact O-N 3.29Å
130A98.6Very high95.6Very high0 Ų054 Ų540%030%0.298CS..EExtended strand (participates in β ladder)trans-114133.8169.300000110.4A97 I98 V99 L159 I174 I178A97-A130 PolarHBondContact O-N 2.87Å; I98-A130 CarbonylContact C-O 3.55Å; I98-A130 WeakPolarHBondContact CA-O 3.46Å; I98-A130 HydrophobicContact CG1-CB 4.42Å; V99-A130 PolarHBondContact N-O 3.25Å; A130-L159 CarbonylContact C-O 3.59Å; A130-L159 VanDerWaalsContact CA-O 3.28Å; A130-L159 WeakPolarHBondContact CA-O 3.4Å; A130-L159 HydrophobicContact CB-CB 3.83Å; A130-L159 HydrophobicContact CB-CD1 4.46Å; A130-I174 HydrophobicContact CB-CD1 4.09Å; A130-I174 HydrophobicContact CB-CG1 4.14Å; A130-I178 HydrophobicContact CB-CD1 3.78Å; A130-I178 HydrophobicContact CB-CG1 4.03Å
131L98.8Very high95.7Very high0 Ų056.5 Ų56.50%031%0.307CS..EExtended strand (participates in β ladder)trans-98.3126.1170.9179.568.5000108.6V99 Y101 F109 A112 Y152 A153 L158 L159 F160 M161V99-L131 HydrophobicContact CB-CD1 4.39Å; V99-L131 HydrophobicContact CG1-CD1 4.45Å; V99-L131 CarbonylContact O-C 3.42Å; V99-L131 WeakPolarHBondContact O-CA 3.2Å; Y101-L131 HydrophobicContact CD1-CD1 3.74Å; Y101-L131 HydrophobicContact CD1-CG 4.21Å; Y101-L131 HydrophobicContact CE1-CD1 3.99Å; Y101-L131 HydrophobicContact CE1-CD2 4.24Å; Y101-L131 HydrophobicContact CE1-CG 3.94Å; F109-L131 HydrophobicContact CE2-CD2 3.96Å; A112-L131 HydrophobicContact CB-CD1 4.19Å; L131-Y152 HydrophobicContact CD2-CD1 3.99Å; L131-Y152 HydrophobicContact CD2-CE1 4.4Å; L131-A153 HydrophobicContact CD2-CB 4.37Å; L131-L158 HydrophobicContact CB-CD1 4.15Å; L131-L159 PolarHBondContact N-O 2.79Å; L131-F160 HydrophobicContact CB-CD2 4.05Å; L131-F160 HydrophobicContact CD2-CD2 3.79Å; L131-F160 HydrophobicContact CD2-CE2 4.22Å; L131-F160 HydrophobicContact CG-CD2 3.86Å; L131-F160 HydrophobicContact CG-CE2 4.34Å; L131-F160 WeakPolarHBondContact O-CA 3.4Å; L131-F160 WeakPolarHBondContact O-CD2 3.42Å; L131-M161 PolarHBondContact O-N 3.03Å
132A98.8Very high95.8Very high0 Ų051 Ų510%029%0.286CS..EExtended strand (participates in β ladder)trans-118.3113.1-179.100000110.7I98 V99 V100 Y101 N134 M161 T163 I174I98-A132 HydrophobicContact CG2-CB 3.84Å; V99-A132 PolarHBondContact O-N 3.41Å; V100-A132 WeakPolarHBondContact CA-O 3.37Å; V100-A132 HydrophobicContact CG1-CB 4.5Å; V100-A132 HydrophobicContact CG2-CB 4.3Å; Y101-A132 WeakPolarHBondContact CD1-O 3.35Å; Y101-A132 PolarHBondContact N-O 3.21Å; A132-N134 PolarHBondContact O-N 3.36Å; A132-M161 WeakPolarHBondContact CA-O 3.18Å; A132-T163 HydrophobicContact CB-CG2 4.43Å; A132-I174 HydrophobicContact CB-CD1 3.65Å
133G98.6Very high95.9Very high0 Ų049 Ų490%029%0.287CS..EExtended strand (participates in β ladder)trans-83.294.616900000109.8M161 E162 T163G133-M161 PolarHBondContact N-O 3.03Å; G133-M161 VanDerWaalsContact N-O 3.07Å; G133-E162 CarbonylContact O-C 3.58Å; G133-E162 WeakPolarHBondContact O-CA 3.39Å; G133-T163 PolarHBondContact O-N 2.84Å
134N98.6Very high95.9Very high4 Ų448.6 Ų48.62%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-84.6166.6-175-169.231.5000112.2V32 V100 Y101 I103 A132 T163 A165V32-N134 PolarHBondContact O-ND2 2.94Å; V100-N134 HydrophobicContact CG1-CB 3.72Å; Y101-N134 WeakPolarHBondContact O-CB 3.41Å; Y101-N134 PolarHBondContact O-N 2.72Å; I103-N134 PolarHBondContact N-O 3.06Å; A132-N134 PolarHBondContact O-N 3.36Å; N134-T163 CarbonylContact C-O 3.53Å; N134-T163 VanDerWaalsContact CA-O 3.27Å; N134-T163 WeakPolarHBondContact CA-O 3.45Å; N134-T163 PolarHBondContact OD1-O 3.31Å; N134-A165 PolarHBondContact OD1-N 3.47Å
135K98.1Very high96.2Very high53 Ų5350.4 Ų50.423%0.2329%0.287CS..  trans68.134.5-176.5-44.5-170.1-164.5168.50113.5A31 D102 D137 L138 T163A31-K135 WeakPolarHBondContact O-CE 3.18Å; A31-K135 PolarHBondContact O-NZ 3.1Å; D102-K135 HydrophobicContact CB-CD 4.46Å; D102-K135 WeakPolarHBondContact OD2-CD 3.45Å; D102-K135 WeakPolarHBondContact OD2-CE 3.41Å; D102-K135 IonicContact OD2-NZ 2.79Å; D102-K135 PolarHBondContact OD2-NZ 3.48Å; K135-D137 WeakPolarHBondContact CA-OD1 3.36Å; K135-D137 PolarHBondContact O-N 3.17Å; K135-L138 HydrophobicContact CB-CD1 4.31Å; K135-L138 HydrophobicContact CD-CD1 4.39Å; K135-L138 WeakPolarHBondContact O-CB 3.44Å; K135-L138 PolarHBondContact O-N 3.2Å; K135-T163 PolarHBondContact N-O 3.4Å
136A97.9Very high96.7Very high13 Ų1348 Ų4811%0.10726%0.264CS..G310 helixtrans-56.2-21.9174.500000113.8L138 A139 E162 T163 M169A136-L138 PolarHBondContact O-N 2.93Å; A136-A139 WeakPolarHBondContact O-CB 3.35Å; A136-A139 PolarHBondContact O-N 3.27Å; A136-A139 VanDerWaalsContact O-N 3.17Å; A136-E162 HydrophobicContact CB-CB 4.24Å; A136-T163 WeakPolarHBondContact CB-O 3.44Å; A136-T163 PolarHBondContact N-O 2.91Å; A136-M169 HydrophobicContact CB-SD 4.09Å
137D97.9Very high97.1Very high57 Ų5747.4 Ų47.431%0.30526%0.256SS..G310 helixtrans-62.7-17.2170.957.8-74.5000113.9K135 S164 K166 T167K135-D137 WeakPolarHBondContact CA-OD1 3.36Å; K135-D137 PolarHBondContact O-N 3.17Å; D137-S164 WeakPolarHBondContact OD1-CB 3.19Å; D137-S164 PolarHBondContact OD1-OG 3.38Å; D137-K166 VanDerWaalsContact OD2-CD 3.32Å; D137-K166 WeakPolarHBondContact OD2-CD 3.19Å; D137-T167 HydrophobicContact CB-CG2 3.8Å
138L96.9Very high97.1Very high59 Ų5950.9 Ų50.931%0.30928%0.275SS..G310 helixtrans-103.126.6176.1-56.9-179.6000112.5T104 K135 A136 S140 K141T104-L138 HydrophobicContact CG2-CB 3.7Å; T104-L138 HydrophobicContact CG2-CD1 4.27Å; K135-L138 HydrophobicContact CB-CD1 4.31Å; K135-L138 HydrophobicContact CD-CD1 4.39Å; K135-L138 WeakPolarHBondContact O-CB 3.44Å; K135-L138 PolarHBondContact O-N 3.2Å; A136-L138 PolarHBondContact O-N 2.93Å; L138-S140 PolarHBondContact O-N 3.06Å; L138-K141 WeakPolarHBondContact O-CA 3.42Å; L138-K141 PolarHBondContact O-N 3.07Å
139A95.3Very high97.1Very high50 Ų5050 Ų5041%0.41327%0.27SS..G310 helixtrans-52.7-27.2-178.600000114.3I103 A136 K141 R142I103-A139 HydrophobicContact CD1-CB 4.46Å; A136-A139 WeakPolarHBondContact O-CB 3.35Å; A136-A139 PolarHBondContact O-N 3.27Å; A136-A139 VanDerWaalsContact O-N 3.17Å; A139-K141 PolarHBondContact O-N 2.74Å; A139-R142 WeakPolarHBondContact O-CB 3.35Å; A139-R142 PolarHBondContact O-N 2.86Å
140S96.5Very high97.1Very high119 Ų11951.9 Ų51.983%0.83228%0.278SS*.G310 helixtrans-68-16.7174.967.60000114.3L138L138-S140 PolarHBondContact O-N 3.06Å
141K96.1Very high97Very high148 Ų14854.8 Ų54.864%0.64330%0.298SS*.G310 helixtrans-111.817.6177.3-61.4-177.9179.3-179.70111.8T104 L138 A139 A143T104-K141 WeakPolarHBondContact CB-O 3.23Å; T104-K141 HydrophobicContact CG2-CB 4.16Å; L138-K141 WeakPolarHBondContact O-CA 3.42Å; L138-K141 PolarHBondContact O-N 3.07Å; A139-K141 PolarHBondContact O-N 2.74Å; K141-A143 PolarHBondContact O-N 3.07Å
142R96.9Very high97Very high68 Ų6856 Ų5626%0.25730%0.303SS..  trans-55.9131.4179.5173.1-176.4-68.8-81.71.8110.4A139 L144 E162A139-R142 WeakPolarHBondContact O-CB 3.35Å; A139-R142 PolarHBondContact O-N 2.86Å; R142-L144 WeakPolarHBondContact CD-O 3.33Å; R142-L144 WeakPolarHBondContact CG-O 3.47Å; R142-L144 PolarHBondContact NH1-O 3.25Å; R142-E162 IonicContact CZ-OE1 2.66Å; R142-E162 IonicContact CZ-OE2 3.87Å; R142-E162 IonicContact NH1-OE1 3.51Å; R142-E162 PolarHBondContact NH1-OE1 2.82Å; R142-E162 IonicContact NH2-OE1 2.78Å; R142-E162 PolarHBondContact NH2-OE1 3.17Å; R142-E162 IonicContact NH2-OE2 3.41Å; R142-E162 PolarHBondContact NH2-OE2 2.66Å
143A96.3Very high97Very high54 Ų5456 Ų5645%0.44630%0.303SS..SBendtrans-100.8-17172.300000112.1I103 T104 K141I103-A143 PolarHBondContact O-N 2.66Å; T104-A143 WeakPolarHBondContact O-CB 3.46Å; K141-A143 PolarHBondContact O-N 3.07Å
144L93.6Very high96.9Very high10 Ų1060.6 Ų60.65%0.05233%0.328CS..SBendtrans-129128.6-175.5-175126.6000112.1Y101 I103 E106 F109 R142 A149Y101-L144 HydrophobicContact CE2-CD2 4.04Å; I103-L144 PolarHBondContact O-N 2.79Å; E106-L144 HydrophobicContact CG-CD1 4.34Å; F109-L144 HydrophobicContact CB-CD1 3.85Å; F109-L144 HydrophobicContact CD1-CD1 3.07Å; F109-L144 HydrophobicContact CD1-CD2 4.37Å; F109-L144 HydrophobicContact CD1-CG 4.33Å; F109-L144 HydrophobicContact CE1-CD1 3.56Å; F109-L144 HydrophobicContact CE1-CD2 4.36Å; F109-L144 HydrophobicContact CG-CD1 3.6Å; F109-L144 HydrophobicContact CG-CD2 4.5Å; R142-L144 WeakPolarHBondContact CD-O 3.33Å; R142-L144 WeakPolarHBondContact CG-O 3.47Å; R142-L144 PolarHBondContact NH1-O 3.25Å; L144-A149 HydrophobicContact CD2-CB 3.67Å
145D95.3Very high96.9Very high84 Ų8466.8 Ų66.845%0.44936%0.361SS..  trans-67.4143.4179.9-165.417000112.3Q147 D148 A149D145-Q147 VanDerWaalsContact C-N 3.25Å; D145-Q147 PolarHBondContact O-N 2.84Å; D145-D148 PolarHBondContact O-N 3.32Å; D145-A149 PolarHBondContact O-N 2.94Å
146F95.9Very high96.8Very high82 Ų8266.4 Ų66.436%0.3636%0.361SS..Hα-helixtrans-58.4-41.6177.3176.4-89000111D148 A149 Q150 F160 E162F146-D148 VanDerWaalsContact C-N 3.32Å; F146-D148 PolarHBondContact O-N 2.96Å; F146-A149 PolarHBondContact O-N 2.83Å; F146-Q150 HydrophobicContact CD1-CB 4.36Å; F146-Q150 HydrophobicContact CE1-CB 4.03Å; F146-Q150 HydrophobicContact CE1-CG 4.27Å; F146-Q150 WeakPolarHBondContact O-CB 3.03Å; F146-Q150 PolarHBondContact O-N 2.73Å; F146-F160 HydrophobicContact CD2-CE1 4.02Å; F146-F160 HydrophobicContact CD2-CZ 4.31Å; F146-F160 HydrophobicContact CE1-CE1 4.47Å; F146-F160 HydrophobicContact CE2-CD1 4.47Å; F146-F160 AromaticContact CE2-CE1 3.53Å; F146-F160 HydrophobicContact CE2-CE1 3.53Å; F146-F160 HydrophobicContact CE2-CZ 4.13Å; F146-F160 HydrophobicContact CZ-CD1 4.41Å; F146-F160 AromaticContact CZ-CE1 3.78Å; F146-F160 HydrophobicContact CZ-CE1 3.78Å; F146-E162 VanDerWaalsContact CD2-CD 3.48Å; F146-E162 HydrophobicContact CD2-CG 3.78Å; F146-E162 HydrophobicContact CE2-CG 3.94Å
147Q96.9Very high96.7Very high137 Ų13770.7 Ų70.764%0.6439%0.391SS*.Hα-helixtrans-65.1-34.5-177.2-66.8-155.82.500112.8D145 Q150 S151D145-Q147 VanDerWaalsContact C-N 3.25Å; D145-Q147 PolarHBondContact O-N 2.84Å; Q147-Q150 PolarHBondContact O-N 2.94Å; Q147-S151 VanDerWaalsContact O-CB 3.31Å; Q147-S151 WeakPolarHBondContact O-CB 3.38Å; Q147-S151 PolarHBondContact O-N 3.5Å; Q147-S151 PolarHBondContact O-OG 3.26Å
148D96.1Very high96.7Very high98 Ų9868.6 Ų68.652%0.52438%0.379SS..Hα-helixtrans-66.7-42.3177.5-68.8-25.2000111.5D145 F146 Y152D145-D148 PolarHBondContact O-N 3.32Å; F146-D148 VanDerWaalsContact C-N 3.32Å; F146-D148 PolarHBondContact O-N 2.96Å; D148-Y152 WeakPolarHBondContact O-CB 3.34Å; D148-Y152 PolarHBondContact O-N 2.95Å; D148-Y152 VanDerWaalsContact O-N 3.1Å
149A97.1Very high96.8Very high0 Ų067.2 Ų67.20%037%0.372CS..Hα-helixtrans-68.6-41175.500000112.5Y101 F109 L144 D145 F146 Y152 A153 F160Y101-A149 WeakPolarHBondContact OH-CB 3.46Å; F109-A149 HydrophobicContact CE2-CB 4.16Å; F109-A149 HydrophobicContact CZ-CB 4.13Å; L144-A149 HydrophobicContact CD2-CB 3.67Å; D145-A149 PolarHBondContact O-N 2.94Å; F146-A149 PolarHBondContact O-N 2.83Å; A149-Y152 PolarHBondContact O-N 3.31Å; A149-A153 WeakPolarHBondContact O-CB 3.16Å; A149-A153 PolarHBondContact O-N 3.27Å; A149-F160 HydrophobicContact CB-CE1 4.19Å; A149-F160 HydrophobicContact CB-CE2 3.78Å; A149-F160 HydrophobicContact CB-CZ 3.49Å; A149-F160 VanDerWaalsContact CB-CZ 3.49Å
150Q98Very high96.9Very high54 Ų5466 Ų6625%0.25236%0.358SS..Hα-helixtrans-61.8-49.9176.6-179.364.968.800111F146 Q147 Y152 A153 D154 F160F146-Q150 HydrophobicContact CD1-CB 4.36Å; F146-Q150 HydrophobicContact CE1-CB 4.03Å; F146-Q150 HydrophobicContact CE1-CG 4.27Å; F146-Q150 WeakPolarHBondContact O-CB 3.03Å; F146-Q150 PolarHBondContact O-N 2.73Å; Q147-Q150 PolarHBondContact O-N 2.94Å; Q150-Y152 VanDerWaalsContact C-N 3.32Å; Q150-Y152 PolarHBondContact O-N 3.38Å; Q150-A153 WeakPolarHBondContact O-CB 3.35Å; Q150-A153 PolarHBondContact O-N 2.93Å; Q150-D154 VanDerWaalsContact NE2-CG 3.34Å; Q150-D154 PolarHBondContact NE2-OD1 2.96Å; Q150-D154 PolarHBondContact NE2-OD2 3.43Å; Q150-D154 PolarHBondContact O-N 2.95Å; Q150-F160 HydrophobicContact CB-CD1 4.1Å; Q150-F160 HydrophobicContact CB-CE1 4.01Å; Q150-F160 VanDerWaalsContact OE1-CD1 3.3Å
151S98.2Very high97Very high60 Ų6062.7 Ų62.742%0.4233%0.329SS..Hα-helixtrans-59.3-44.5178.7-56.20000111.2Q147 A153 D154 D155Q147-S151 VanDerWaalsContact O-CB 3.31Å; Q147-S151 WeakPolarHBondContact O-CB 3.38Å; Q147-S151 PolarHBondContact O-N 3.5Å; Q147-S151 PolarHBondContact O-OG 3.26Å; S151-A153 VanDerWaalsContact C-N 3.32Å; S151-A153 PolarHBondContact O-N 2.92Å; S151-D154 PolarHBondContact O-N 2.91Å; S151-D155 WeakPolarHBondContact O-CB 3.49Å; S151-D155 VanDerWaalsContact O-CG 3.23Å; S151-D155 PolarHBondContact O-N 3.05Å
152Y98.3Very high97.2Very high27 Ų2756.6 Ų56.611%0.10630%0.303CS..Hα-helixtrans-60.1-41.1175174.5-100.2000112.6F109 K113 V116 L131 D148 A149 Q150 N156 L158F109-Y152 HydrophobicContact CE2-CD1 4.16Å; F109-Y152 HydrophobicContact CZ-CD1 4.01Å; F109-Y152 HydrophobicContact CZ-CG 4.12Å; K113-Y152 HydrophobicContact CB-CE2 4.42Å; K113-Y152 HydrophobicContact CD-CD2 4.2Å; K113-Y152 HydrophobicContact CD-CE2 3.98Å; K113-Y152 HydrophobicContact CG-CD1 4.34Å; K113-Y152 HydrophobicContact CG-CD2 4.33Å; K113-Y152 HydrophobicContact CG-CE1 3.83Å; K113-Y152 HydrophobicContact CG-CE2 3.83Å; V116-Y152 HydrophobicContact CG2-CE1 4.45Å; L131-Y152 HydrophobicContact CD2-CD1 3.99Å; L131-Y152 HydrophobicContact CD2-CE1 4.4Å; D148-Y152 WeakPolarHBondContact O-CB 3.34Å; D148-Y152 PolarHBondContact O-N 2.95Å; D148-Y152 VanDerWaalsContact O-N 3.1Å; A149-Y152 PolarHBondContact O-N 3.31Å; Q150-Y152 VanDerWaalsContact C-N 3.32Å; Q150-Y152 PolarHBondContact O-N 3.38Å; Y152-N156 WeakPolarHBondContact CD2-ND2 3.17Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.12Å; Y152-N156 WeakPolarHBondContact O-CB 3.49Å; Y152-N156 PolarHBondContact O-N 3.01Å; Y152-N156 PolarHBondContact O-ND2 2.88Å; Y152-L158 HydrophobicContact CD1-CD1 4.44Å; Y152-L158 HydrophobicContact CE1-CD1 3.95Å
153A98.1Very high97.2Very high0 Ų053.4 Ų53.40%029%0.291CS..Hα-helixtrans-64.8-43.3177.900000112L131 A149 Q150 S151 N156 S157 L158 F160L131-A153 HydrophobicContact CD2-CB 4.37Å; A149-A153 WeakPolarHBondContact O-CB 3.16Å; A149-A153 PolarHBondContact O-N 3.27Å; Q150-A153 WeakPolarHBondContact O-CB 3.35Å; Q150-A153 PolarHBondContact O-N 2.93Å; S151-A153 VanDerWaalsContact C-N 3.32Å; S151-A153 PolarHBondContact O-N 2.92Å; A153-N156 CarbonylContact O-C 3.54Å; A153-N156 PolarHBondContact O-N 3.41Å; A153-S157 PolarHBondContact O-N 2.92Å; A153-L158 HydrophobicContact CB-CB 4.12Å; A153-L158 PolarHBondContact O-N 2.99Å; A153-F160 HydrophobicContact CB-CB 3.41Å; A153-F160 VanDerWaalsContact CB-CB 3.41Å; A153-F160 HydrophobicContact CB-CG 3.98Å
154D97.8Very high97.3Very high96 Ų9650.8 Ų50.851%0.51327%0.27SS..Hα-helixtrans-64.6-46.5179.1-65.7-30.7000111.1Q150 S151 N156 S157Q150-D154 VanDerWaalsContact NE2-CG 3.34Å; Q150-D154 PolarHBondContact NE2-OD1 2.96Å; Q150-D154 PolarHBondContact NE2-OD2 3.43Å; Q150-D154 PolarHBondContact O-N 2.95Å; S151-D154 PolarHBondContact O-N 2.91Å; D154-N156 PolarHBondContact O-N 3.1Å; D154-N156 VanDerWaalsContact O-N 3.15Å; D154-S157 PolarHBondContact O-N 3.17Å
155D97.7Very high97.5Very high134 Ų13450.5 Ų50.572%0.71727%0.268SS*.Hα-helixtrans-57.8-29.9175.9-72.8-16.2000112.8S151S151-D155 WeakPolarHBondContact O-CB 3.49Å; S151-D155 VanDerWaalsContact O-CG 3.23Å; S151-D155 PolarHBondContact O-N 3.05Å
156N96.7Very high97.7Very high44 Ų4451 Ų5124%0.23527%0.267CS..THydrogen-bonded Turntrans-104.17.4-178.9-69.8-94.6000113Y152 A153 D154 L158Y152-N156 WeakPolarHBondContact CD2-ND2 3.17Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.12Å; Y152-N156 WeakPolarHBondContact O-CB 3.49Å; Y152-N156 PolarHBondContact O-N 3.01Å; Y152-N156 PolarHBondContact O-ND2 2.88Å; A153-N156 CarbonylContact O-C 3.54Å; A153-N156 PolarHBondContact O-N 3.41Å; D154-N156 PolarHBondContact O-N 3.1Å; D154-N156 VanDerWaalsContact O-N 3.15Å; N156-L158 HydrophobicContact CB-CD1 4Å; N156-L158 HydrophobicContact CB-CD2 4.01Å; N156-L158 HydrophobicContact CB-CG 3.71Å; N156-L158 WeakPolarHBondContact O-CD2 3.43Å; N156-L158 PolarHBondContact O-N 3.24Å
157S96Very high97.7Very high104 Ų10451.1 Ų51.173%0.72727%0.274SS*.THydrogen-bonded Turntrans54.635.1-179-60.20000114.5A153 D154A153-S157 PolarHBondContact O-N 2.92Å; D154-S157 PolarHBondContact O-N 3.17Å
158L97.9Very high97.8Very high13 Ų1346.7 Ų46.77%0.06826%0.259CS..  trans-86.3152.9180-45.8179.6000110.6V116 I129 L131 Y152 A153 N156V116-L158 HydrophobicContact CG1-CD1 3.94Å; V116-L158 HydrophobicContact CG1-CD2 3.93Å; V116-L158 HydrophobicContact CG2-CD1 3.91Å; I129-L158 HydrophobicContact CB-CD2 3.89Å; I129-L158 HydrophobicContact CG2-CD2 3.9Å; L131-L158 HydrophobicContact CB-CD1 4.15Å; Y152-L158 HydrophobicContact CD1-CD1 4.44Å; Y152-L158 HydrophobicContact CE1-CD1 3.95Å; A153-L158 HydrophobicContact CB-CB 4.12Å; A153-L158 PolarHBondContact O-N 2.99Å; N156-L158 HydrophobicContact CB-CD1 4Å; N156-L158 HydrophobicContact CB-CD2 4.01Å; N156-L158 HydrophobicContact CB-CG 3.71Å; N156-L158 WeakPolarHBondContact O-CD2 3.43Å; N156-L158 PolarHBondContact O-N 3.24Å
159L98.1Very high97.9Very high30 Ų3046.5 Ų46.516%0.15726%0.256CS..EExtended strand (participates in β ladder)trans-71.2137.8157.4-67173.8000108.1V128 I129 A130 L131 A177 I178 K181V128-L159 HydrophobicContact CG1-CD1 3.86Å; I129-L159 PolarHBondContact O-N 3.29Å; A130-L159 CarbonylContact C-O 3.59Å; A130-L159 VanDerWaalsContact CA-O 3.28Å; A130-L159 WeakPolarHBondContact CA-O 3.4Å; A130-L159 HydrophobicContact CB-CB 3.83Å; A130-L159 HydrophobicContact CB-CD1 4.46Å; L131-L159 PolarHBondContact N-O 2.79Å; L159-A177 HydrophobicContact CD1-CB 4.31Å; L159-I178 HydrophobicContact CD1-CG1 3.82Å; L159-K181 HydrophobicContact CD1-CD 4.07Å; L159-K181 HydrophobicContact CD2-CD 3.89Å; L159-K181 HydrophobicContact CG-CD 4.04Å
160F98.5Very high97.9Very high25 Ų2548.9 Ų48.911%0.1127%0.268CS..EExtended strand (participates in β ladder)trans-134.7134.9175.8174.1-111.9000112Y101 L131 F146 A149 Q150 A153 E162Y101-F160 HydrophobicContact CE1-CE2 4.08Å; L131-F160 HydrophobicContact CB-CD2 4.05Å; L131-F160 HydrophobicContact CD2-CD2 3.79Å; L131-F160 HydrophobicContact CD2-CE2 4.22Å; L131-F160 HydrophobicContact CG-CD2 3.86Å; L131-F160 HydrophobicContact CG-CE2 4.34Å; L131-F160 WeakPolarHBondContact O-CA 3.4Å; L131-F160 WeakPolarHBondContact O-CD2 3.42Å; F146-F160 HydrophobicContact CD2-CE1 4.02Å; F146-F160 HydrophobicContact CD2-CZ 4.31Å; F146-F160 HydrophobicContact CE1-CE1 4.47Å; F146-F160 HydrophobicContact CE2-CD1 4.47Å; F146-F160 AromaticContact CE2-CE1 3.53Å; F146-F160 HydrophobicContact CE2-CE1 3.53Å; F146-F160 HydrophobicContact CE2-CZ 4.13Å; F146-F160 HydrophobicContact CZ-CD1 4.41Å; F146-F160 AromaticContact CZ-CE1 3.78Å; F146-F160 HydrophobicContact CZ-CE1 3.78Å; A149-F160 HydrophobicContact CB-CE1 4.19Å; A149-F160 HydrophobicContact CB-CE2 3.78Å; A149-F160 HydrophobicContact CB-CZ 3.49Å; A149-F160 VanDerWaalsContact CB-CZ 3.49Å; Q150-F160 HydrophobicContact CB-CD1 4.1Å; Q150-F160 HydrophobicContact CB-CE1 4.01Å; Q150-F160 VanDerWaalsContact OE1-CD1 3.3Å; A153-F160 HydrophobicContact CB-CB 3.41Å; A153-F160 VanDerWaalsContact CB-CB 3.41Å; A153-F160 HydrophobicContact CB-CG 3.98Å; F160-E162 HydrophobicContact CZ-CG 3.99Å
161M98.5Very high97.9Very high49 Ų4946.3 Ų46.324%0.24126%0.256CS..EExtended strand (participates in β ladder)trans-148.3141.4170.9-63.2-175.8-173.100109L131 A132 G133 T163 N170 E173 I174 A177L131-M161 PolarHBondContact O-N 3.03Å; A132-M161 WeakPolarHBondContact CA-O 3.18Å; G133-M161 PolarHBondContact N-O 3.03Å; G133-M161 VanDerWaalsContact N-O 3.07Å; M161-T163 HydrophobicContact CB-CG2 4.4Å; M161-N170 HydrophobicContact CB-CB 4.41Å; M161-N170 HydrophobicContact SD-CB 4.4Å; M161-E173 HydrophobicContact CE-CB 4.39Å; M161-E173 HydrophobicContact SD-CB 3.89Å; M161-I174 HydrophobicContact SD-CB 3.86Å; M161-I174 HydrophobicContact SD-CG1 4.39Å; M161-A177 HydrophobicContact CE-CB 3.65Å
162E98.4Very high97.9Very high20 Ų2047 Ų479%0.09326%0.255CS..EExtended strand (participates in β ladder)trans-79.3138.3158.9-71.2-166.1161.400110I103 G133 A136 R142 F146 F160 N170I103-E162 HydrophobicContact CG2-CG 4.44Å; G133-E162 CarbonylContact O-C 3.58Å; G133-E162 WeakPolarHBondContact O-CA 3.39Å; A136-E162 HydrophobicContact CB-CB 4.24Å; R142-E162 IonicContact CZ-OE1 2.66Å; R142-E162 IonicContact CZ-OE2 3.87Å; R142-E162 IonicContact NH1-OE1 3.51Å; R142-E162 PolarHBondContact NH1-OE1 2.82Å; R142-E162 IonicContact NH2-OE1 2.78Å; R142-E162 PolarHBondContact NH2-OE1 3.17Å; R142-E162 IonicContact NH2-OE2 3.41Å; R142-E162 PolarHBondContact NH2-OE2 2.66Å; F146-E162 VanDerWaalsContact CD2-CD 3.48Å; F146-E162 HydrophobicContact CD2-CG 3.78Å; F146-E162 HydrophobicContact CE2-CG 3.94Å; F160-E162 HydrophobicContact CZ-CG 3.99Å; E162-N170 WeakPolarHBondContact O-CB 3.46Å; E162-N170 PolarHBondContact O-ND2 2.82Å
163T98.6Very high97.8Very high0 Ų049.9 Ų49.90%027%0.27CS..  trans-129.4157.2-174.660.70000110.4A132 G133 N134 K135 A136 M161 M169 N170 I174A132-T163 HydrophobicContact CB-CG2 4.43Å; G133-T163 PolarHBondContact O-N 2.84Å; N134-T163 CarbonylContact C-O 3.53Å; N134-T163 VanDerWaalsContact CA-O 3.27Å; N134-T163 WeakPolarHBondContact CA-O 3.45Å; N134-T163 PolarHBondContact OD1-O 3.31Å; K135-T163 PolarHBondContact N-O 3.4Å; A136-T163 WeakPolarHBondContact CB-O 3.44Å; A136-T163 PolarHBondContact N-O 2.91Å; M161-T163 HydrophobicContact CB-CG2 4.4Å; T163-M169 CarbonylContact C-O 3.57Å; T163-M169 VanDerWaalsContact CA-O 3.3Å; T163-M169 WeakPolarHBondContact CA-O 3.39Å; T163-N170 HydrophobicContact CG2-CB 4.04Å; T163-I174 HydrophobicContact CG2-CD1 4.41Å; T163-I174 HydrophobicContact CG2-CG2 4.36Å
164S98.5Very high97.8Very high0 Ų050 Ų500%027%0.27CS..BIsolated β-bridgetrans-135.8111.2164.3172.50000109.4D137 K166 T167 S168 M169 V171D137-S164 WeakPolarHBondContact OD1-CB 3.19Å; D137-S164 PolarHBondContact OD1-OG 3.38Å; S164-K166 PolarHBondContact O-N 2.85Å; S164-K166 PolarHBondContact OG-N 3.06Å; S164-T167 WeakPolarHBondContact CB-OG1 3.39Å; S164-T167 PolarHBondContact O-N 3.45Å; S164-T167 PolarHBondContact OG-N 2.97Å; S164-T167 PolarHBondContact OG-OG1 3.29Å; S164-S168 CarbonylContact O-C 3.52Å; S164-S168 VanDerWaalsContact O-CA 3.23Å; S164-S168 WeakPolarHBondContact O-CA 3.5Å; S164-S168 PolarHBondContact O-N 3.39Å; S164-M169 PolarHBondContact N-O 2.84Å; S164-M169 PolarHBondContact O-N 2.97Å; S164-V171 WeakPolarHBondContact O-CG2 3.39Å
165A98Very high97.8Very high3 Ų345.4 Ų45.43%0.02525%0.246CC..THydrogen-bonded Turntrans-58.7-2916900000112.2L37 R40 F46 N134L37-A165 HydrophobicContact CD1-CB 4.47Å; R40-A165 PolarHBondContact NE-O 3.1Å; R40-A165 PolarHBondContact NH2-O 2.86Å; F46-A165 HydrophobicContact CD2-CB 4.07Å; F46-A165 HydrophobicContact CE2-CB 4.28Å; N134-A165 PolarHBondContact OD1-N 3.47Å
166K97.6Very high97.8Very high96 Ų9642.5 Ų42.542%0.41723%0.229SC..THydrogen-bonded Turntrans-70.9-50.6-179.3-171.4174.4-174.1169.10111.5R40 F46 D137 S164R40-K166 PolarHBondContact NH2-O 2.92Å; F46-K166 HydrophobicContact CD1-CG 4.23Å; F46-K166 HydrophobicContact CD2-CB 4.38Å; F46-K166 HydrophobicContact CE1-CB 4.2Å; F46-K166 HydrophobicContact CE1-CD 4.34Å; F46-K166 HydrophobicContact CE1-CG 3.86Å; F46-K166 HydrophobicContact CE2-CB 4.03Å; F46-K166 HydrophobicContact CZ-CB 3.94Å; F46-K166 HydrophobicContact CZ-CD 4.43Å; F46-K166 HydrophobicContact CZ-CG 4.06Å; D137-K166 VanDerWaalsContact OD2-CD 3.32Å; D137-K166 WeakPolarHBondContact OD2-CD 3.19Å; S164-K166 PolarHBondContact O-N 2.85Å; S164-K166 PolarHBondContact OG-N 3.06Å
167T97.5Very high97.8Very high84 Ų8441.4 Ų41.452%0.51523%0.226SC..THydrogen-bonded Turntrans-93.9-5.9-176.664.50000113.7D137 S164 M169D137-T167 HydrophobicContact CB-CG2 3.8Å; S164-T167 WeakPolarHBondContact CB-OG1 3.39Å; S164-T167 PolarHBondContact O-N 3.45Å; S164-T167 PolarHBondContact OG-N 2.97Å; S164-T167 PolarHBondContact OG-OG1 3.29Å; T167-M169 PolarHBondContact O-N 2.94Å; T167-M169 WeakPolarHBondContact OG1-CB 3.4Å; T167-M169 PolarHBondContact OG1-N 2.69Å
168S97.4Very high97.8Very high44 Ų4436.4 Ų36.431%0.30819%0.191SC..THydrogen-bonded Turntrans69.411.5-171.7-38.70000114.6R40 S164 N170 V171R40-S168 VanDerWaalsContact CD-OG 3.27Å; R40-S168 WeakPolarHBondContact CD-OG 3.13Å; R40-S168 PolarHBondContact NE-OG 3.15Å; S164-S168 CarbonylContact O-C 3.52Å; S164-S168 VanDerWaalsContact O-CA 3.23Å; S164-S168 WeakPolarHBondContact O-CA 3.5Å; S164-S168 PolarHBondContact O-N 3.39Å; S168-N170 PolarHBondContact O-N 3.08Å; S168-V171 PolarHBondContact O-N 3.03Å
169M98.4Very high97.7Very high94 Ų9435.8 Ų35.846%0.46319%0.188SC..BIsolated β-bridgetrans-60.9126.3177.4-178-178.7-175.100111A136 T163 S164 T167 V171A136-M169 HydrophobicContact CB-SD 4.09Å; T163-M169 CarbonylContact C-O 3.57Å; T163-M169 VanDerWaalsContact CA-O 3.3Å; T163-M169 WeakPolarHBondContact CA-O 3.39Å; S164-M169 PolarHBondContact N-O 2.84Å; S164-M169 PolarHBondContact O-N 2.97Å; T167-M169 PolarHBondContact O-N 2.94Å; T167-M169 WeakPolarHBondContact OG1-CB 3.4Å; T167-M169 PolarHBondContact OG1-N 2.69Å; M169-V171 PolarHBondContact O-N 3.25Å
170N98.1Very high97.5Very high49 Ų4941.1 Ų41.126%0.26221%0.21SC..THydrogen-bonded Turntrans55.714177-64.3-26.1000115.4M161 E162 T163 S168 E173 I174M161-N170 HydrophobicContact CB-CB 4.41Å; M161-N170 HydrophobicContact SD-CB 4.4Å; E162-N170 WeakPolarHBondContact O-CB 3.46Å; E162-N170 PolarHBondContact O-ND2 2.82Å; T163-N170 HydrophobicContact CG2-CB 4.04Å; S168-N170 PolarHBondContact O-N 3.08Å; N170-E173 WeakPolarHBondContact CA-OE2 3.44Å; N170-E173 HydrophobicContact CB-CB 4.43Å; N170-E173 PolarHBondContact N-OE2 3.29Å; N170-I174 PolarHBondContact O-N 3.22Å
171V98.1Very high97.3Very high0 Ų045.7 Ų45.70%023%0.229CC..Hα-helixtrans-71.2-47.3-177.81790000110.1L37 R40 F41 S164 S168 M169 E173 I174 F175L37-V171 HydrophobicContact CD1-CB 4.38Å; L37-V171 HydrophobicContact CD1-CG1 4.07Å; L37-V171 HydrophobicContact CD1-CG2 3.75Å; R40-V171 HydrophobicContact CB-CG1 4.18Å; R40-V171 HydrophobicContact CG-CB 4.27Å; R40-V171 HydrophobicContact CG-CG1 3.91Å; R40-V171 HydrophobicContact CG-CG2 4.07Å; F41-V171 HydrophobicContact CB-CG1 3.9Å; S164-V171 WeakPolarHBondContact O-CG2 3.39Å; S168-V171 PolarHBondContact O-N 3.03Å; M169-V171 PolarHBondContact O-N 3.25Å; V171-E173 VanDerWaalsContact C-N 3.34Å; V171-E173 PolarHBondContact N-OE2 2.66Å; V171-I174 WeakPolarHBondContact O-CG2 3.47Å; V171-F175 HydrophobicContact CG1-CE2 4.49Å; V171-F175 WeakPolarHBondContact O-CD2 3.44Å
172N97Very high97.1Very high75 Ų7543.6 Ų43.640%0.40122%0.219SC..Hα-helixtrans-73.2-36178.7-69.5-65.9000111I174 F175 M176N172-I174 PolarHBondContact O-N 3.2Å; N172-F175 PolarHBondContact O-N 3.24Å; N172-M176 WeakPolarHBondContact O-CB 3.5Å; N172-M176 VanDerWaalsContact O-CG 3.26Å; N172-M176 WeakPolarHBondContact O-CG 3.43Å; N172-M176 PolarHBondContact O-N 3.05Å
173E97.8Very high96.6Very high88 Ų8847 Ų4741%0.41124%0.243SC..Hα-helixtrans-60.7-42.2-174.9-66.373.5-171.100111.4M161 N170 V171 M176 A177M161-E173 HydrophobicContact CE-CB 4.39Å; M161-E173 HydrophobicContact SD-CB 3.89Å; N170-E173 WeakPolarHBondContact CA-OE2 3.44Å; N170-E173 HydrophobicContact CB-CB 4.43Å; N170-E173 PolarHBondContact N-OE2 3.29Å; V171-E173 VanDerWaalsContact C-N 3.34Å; V171-E173 PolarHBondContact N-OE2 2.66Å; E173-M176 PolarHBondContact O-N 3.04Å; E173-A177 VanDerWaalsContact O-CB 3.27Å; E173-A177 WeakPolarHBondContact O-CB 3.39Å; E173-A177 PolarHBondContact O-N 3.42Å
174I98.2Very high95.8Very high2 Ų249.2 Ų49.21%0.0125%0.253CS..Hα-helixtrans-67.1-42.5178.2-164.1172.1000111.9I98 A130 A132 M161 T163 N170 V171 N172 A177 I178I98-I174 HydrophobicContact CG2-CD1 4.14Å; A130-I174 HydrophobicContact CB-CD1 4.09Å; A130-I174 HydrophobicContact CB-CG1 4.14Å; A132-I174 HydrophobicContact CB-CD1 3.65Å; M161-I174 HydrophobicContact SD-CB 3.86Å; M161-I174 HydrophobicContact SD-CG1 4.39Å; T163-I174 HydrophobicContact CG2-CD1 4.41Å; T163-I174 HydrophobicContact CG2-CG2 4.36Å; N170-I174 PolarHBondContact O-N 3.22Å; V171-I174 WeakPolarHBondContact O-CG2 3.47Å; N172-I174 PolarHBondContact O-N 3.2Å; I174-A177 PolarHBondContact O-N 3.13Å; I174-I178 HydrophobicContact CG1-CD1 4.46Å; I174-I178 WeakPolarHBondContact O-CD1 3.35Å; I174-I178 VanDerWaalsContact O-CG1 3.29Å; I174-I178 WeakPolarHBondContact O-CG1 3.45Å; I174-I178 PolarHBondContact O-N 2.92Å
175F97.7Very high94.3Very high0 Ų056.1 Ų56.10%029%0.289CS..Hα-helixtrans-68-37.8176-70.6-81000111.7L24 F41 F72 I74 I98 V171 N172 I178 A179L24-F175 HydrophobicContact CD1-CD1 3.96Å; L24-F175 HydrophobicContact CD1-CE1 4.06Å; L24-F175 HydrophobicContact CD2-CE1 4.1Å; F41-F175 HydrophobicContact CB-CD2 3.88Å; F41-F175 HydrophobicContact CB-CE2 3.53Å; F41-F175 HydrophobicContact CB-CZ 4.19Å; F41-F175 AromaticContact CD1-CD1 3.87Å; F41-F175 HydrophobicContact CD1-CD1 3.87Å; F41-F175 AromaticContact CD1-CD2 3.6Å; F41-F175 HydrophobicContact CD1-CD2 3.6Å; F41-F175 AromaticContact CD1-CE1 3.87Å; F41-F175 HydrophobicContact CD1-CE1 3.87Å; F41-F175 AromaticContact CD1-CE2 3.66Å; F41-F175 HydrophobicContact CD1-CE2 3.66Å; F41-F175 AromaticContact CD1-CG 3.76Å; F41-F175 HydrophobicContact CD1-CG 3.76Å; F41-F175 AromaticContact CD1-CZ 3.79Å; F41-F175 HydrophobicContact CD1-CZ 3.79Å; F41-F175 HydrophobicContact CD2-CB 4.22Å; F41-F175 AromaticContact CD2-CD2 3.47Å; F41-F175 HydrophobicContact CD2-CD2 3.47Å; F41-F175 VanDerWaalsContact CD2-CD2 3.47Å; F41-F175 HydrophobicContact CD2-CE2 4.05Å; F41-F175 AromaticContact CD2-CG 3.97Å; F41-F175 HydrophobicContact CD2-CG 3.97Å; F41-F175 HydrophobicContact CE1-CB 4.01Å; F41-F175 AromaticContact CE1-CD1 3.64Å; F41-F175 HydrophobicContact CE1-CD1 3.64Å; F41-F175 AromaticContact CE1-CD2 3.9Å; F41-F175 HydrophobicContact CE1-CD2 3.9Å; F41-F175 HydrophobicContact CE1-CE1 4.05Å; F41-F175 HydrophobicContact CE1-CE2 4.34Å; F41-F175 AromaticContact CE1-CG 3.58Å; F41-F175 HydrophobicContact CE1-CG 3.58Å; F41-F175 HydrophobicContact CE1-CZ 4.4Å; F41-F175 HydrophobicContact CE2-CB 3.65Å; F41-F175 AromaticContact CE2-CD2 3.81Å; F41-F175 HydrophobicContact CE2-CD2 3.81Å; F41-F175 AromaticContact CE2-CG 3.83Å; F41-F175 HydrophobicContact CE2-CG 3.83Å; F41-F175 HydrophobicContact CG-CD1 4.47Å; F41-F175 AromaticContact CG-CD2 3.35Å; F41-F175 HydrophobicContact CG-CD2 3.35Å; F41-F175 AromaticContact CG-CE2 3.47Å; F41-F175 HydrophobicContact CG-CE2 3.47Å; F41-F175 VanDerWaalsContact CG-CE2 3.47Å; F41-F175 AromaticContact CG-CG 3.94Å; F41-F175 HydrophobicContact CG-CG 3.94Å; F41-F175 HydrophobicContact CG-CZ 4.08Å; F41-F175 HydrophobicContact CZ-CB 3.52Å; F41-F175 HydrophobicContact CZ-CD1 4.09Å; F41-F175 HydrophobicContact CZ-CD2 4Å; F41-F175 AromaticContact CZ-CG 3.62Å; F41-F175 HydrophobicContact CZ-CG 3.62Å; F72-F175 HydrophobicContact CE2-CB 4.19Å; F72-F175 HydrophobicContact CE2-CD1 4.48Å; F72-F175 WeakPolarHBondContact CZ-O 3.02Å; I74-F175 HydrophobicContact CD1-CE1 4.27Å; I98-F175 HydrophobicContact CD1-CD1 3.93Å; I98-F175 HydrophobicContact CD1-CE1 3.44Å; I98-F175 VanDerWaalsContact CD1-CE1 3.44Å; I98-F175 HydrophobicContact CD1-CE2 4.32Å; I98-F175 HydrophobicContact CD1-CZ 3.65Å; V171-F175 HydrophobicContact CG1-CE2 4.49Å; V171-F175 WeakPolarHBondContact O-CD2 3.44Å; N172-F175 PolarHBondContact O-N 3.24Å; F175-I178 PolarHBondContact O-N 3.3Å; F175-A179 WeakPolarHBondContact O-CB 2.92Å; F175-A179 PolarHBondContact O-N 3.39Å
176M96.3Very high92.3Very high72 Ų7263.4 Ų63.436%0.35532%0.323SS..Hα-helixtrans-65.4-41.3174.2-73179.577.200112V63 N172 E173 I178 A179 K180V63-M176 HydrophobicContact CG1-CG 3.9Å; N172-M176 WeakPolarHBondContact O-CB 3.5Å; N172-M176 VanDerWaalsContact O-CG 3.26Å; N172-M176 WeakPolarHBondContact O-CG 3.43Å; N172-M176 PolarHBondContact O-N 3.05Å; E173-M176 PolarHBondContact O-N 3.04Å; M176-I178 VanDerWaalsContact C-N 3.33Å; M176-I178 PolarHBondContact O-N 2.92Å; M176-A179 PolarHBondContact O-N 3.4Å; M176-K180 WeakPolarHBondContact O-CG 3.31Å; M176-K180 PolarHBondContact O-N 2.94Å
177A96.9Very high89.9Confident21 Ų2164 Ų6417%0.17434%0.337CS..Hα-helixtrans-62.7-41176.900000111.6L159 M161 E173 I174 K180 K181L159-A177 HydrophobicContact CD1-CB 4.31Å; M161-A177 HydrophobicContact CE-CB 3.65Å; E173-A177 VanDerWaalsContact O-CB 3.27Å; E173-A177 WeakPolarHBondContact O-CB 3.39Å; E173-A177 PolarHBondContact O-N 3.42Å; I174-A177 PolarHBondContact O-N 3.13Å; A177-K180 PolarHBondContact O-N 3.48Å; A177-K181 PolarHBondContact O-N 3.32Å
178I96.9Very high87.7Confident0 Ų066 Ų660%034%0.34CS..Hα-helixtrans-62.8-48.9172.6-67.5164.5000110.4L24 F72 A96 I98 V128 A130 L159 I174 F175 M176 K180 K181 L182L24-I178 HydrophobicContact CD1-CD1 4.08Å; L24-I178 HydrophobicContact CD1-CG2 4.23Å; F72-I178 HydrophobicContact CE1-CG2 4.08Å; F72-I178 HydrophobicContact CZ-CB 4.47Å; F72-I178 HydrophobicContact CZ-CG2 4.12Å; A96-I178 HydrophobicContact CB-CG2 3.48Å; A96-I178 VanDerWaalsContact CB-CG2 3.48Å; I98-I178 HydrophobicContact CD1-CD1 3.71Å; I98-I178 HydrophobicContact CG1-CD1 3.51Å; V128-I178 HydrophobicContact CG1-CG2 4.46Å; A130-I178 HydrophobicContact CB-CD1 3.78Å; A130-I178 HydrophobicContact CB-CG1 4.03Å; L159-I178 HydrophobicContact CD1-CG1 3.82Å; I174-I178 HydrophobicContact CG1-CD1 4.46Å; I174-I178 WeakPolarHBondContact O-CD1 3.35Å; I174-I178 VanDerWaalsContact O-CG1 3.29Å; I174-I178 WeakPolarHBondContact O-CG1 3.45Å; I174-I178 PolarHBondContact O-N 2.92Å; F175-I178 PolarHBondContact O-N 3.3Å; M176-I178 VanDerWaalsContact C-N 3.33Å; M176-I178 PolarHBondContact O-N 2.92Å; I178-K180 PolarHBondContact O-N 3.48Å; I178-K181 PolarHBondContact O-N 3.11Å; I178-L182 HydrophobicContact CG2-CD1 3.86Å; I178-L182 HydrophobicContact CG2-CG 4.28Å; I178-L182 WeakPolarHBondContact O-CG 3.37Å; I178-L182 PolarHBondContact O-N 3.3Å; I178-L182 VanDerWaalsContact O-N 3.13Å
179A95.4Very high85.1Confident0 Ų068.1 Ų68.10%036%0.361CS..Hα-helixtrans-56.6-36.5179.800000112.5L65 V70 F72 F175 M176L65-A179 HydrophobicContact CD1-CB 4.11Å; L65-A179 HydrophobicContact CD2-CB 4.32Å; V70-A179 HydrophobicContact CB-CB 4.22Å; V70-A179 HydrophobicContact CG1-CB 4.17Å; V70-A179 HydrophobicContact CG2-CB 4.19Å; F72-A179 HydrophobicContact CE2-CB 4.1Å; F72-A179 HydrophobicContact CZ-CB 3.78Å; F175-A179 WeakPolarHBondContact O-CB 2.92Å; F175-A179 PolarHBondContact O-N 3.39Å; M176-A179 PolarHBondContact O-N 3.4Å
180K94.3Very high82.6Confident142 Ų14268 Ų6862%0.61738%0.375SS*.Hα-helixtrans-70.7-31.9176.3-72175.6-177.1-177.20113.5L65 M176 A177 I178L65-K180 HydrophobicContact CD2-CG 4.16Å; M176-K180 WeakPolarHBondContact O-CG 3.31Å; M176-K180 PolarHBondContact O-N 2.94Å; A177-K180 PolarHBondContact O-N 3.48Å; I178-K180 PolarHBondContact O-N 3.48Å
181K94.1Very high79.9Confident120 Ų12069.2 Ų69.252%0.52240%0.398SS..Hα-helixtrans-80.9-19.6178.1-90.2-157.7175.8179.50113.9V128 L159 A177 I178V128-K181 HydrophobicContact CG1-CB 4.02Å; V128-K181 HydrophobicContact CG1-CD 4.15Å; V128-K181 HydrophobicContact CG2-CB 4.08Å; L159-K181 HydrophobicContact CD1-CD 4.07Å; L159-K181 HydrophobicContact CD2-CD 3.89Å; L159-K181 HydrophobicContact CG-CD 4.04Å; A177-K181 PolarHBondContact O-N 3.32Å; I178-K181 PolarHBondContact O-N 3.11Å
182L93.1Very high77.1Confident6 Ų675 Ų753%0.03143%0.434CS..SBendtrans-73.2142.1-176-74.3167.4000112.5F22 F72 Q95 A96 V128 I178 K184F22-L182 HydrophobicContact CB-CD1 3.87Å; F22-L182 HydrophobicContact CD1-CD1 4.27Å; F22-L182 HydrophobicContact CD1-CD2 4.32Å; F22-L182 HydrophobicContact CD2-CB 4.17Å; F22-L182 HydrophobicContact CD2-CD1 3.64Å; F22-L182 HydrophobicContact CD2-CG 4.45Å; F22-L182 HydrophobicContact CE1-CB 4.23Å; F22-L182 HydrophobicContact CE2-CB 3.88Å; F22-L182 HydrophobicContact CE2-CD1 4.21Å; F22-L182 HydrophobicContact CG-CB 4.48Å; F22-L182 HydrophobicContact CG-CD1 3.67Å; F22-L182 HydrophobicContact CG-CG 4.45Å; F22-L182 HydrophobicContact CZ-CB 3.92Å; F72-L182 HydrophobicContact CE1-CD1 3.79Å; F72-L182 HydrophobicContact CZ-CD1 4.39Å; Q95-L182 HydrophobicContact CB-CD2 3.8Å; Q95-L182 WeakPolarHBondContact O-CD2 3.44Å; A96-L182 HydrophobicContact CB-CD1 4.44Å; A96-L182 HydrophobicContact CB-CD2 4.38Å; V128-L182 HydrophobicContact CB-CD2 4.42Å; V128-L182 HydrophobicContact CG2-CD2 3.93Å; V128-L182 HydrophobicContact CG2-CG 4.43Å; I178-L182 HydrophobicContact CG2-CD1 3.86Å; I178-L182 HydrophobicContact CG2-CG 4.28Å; I178-L182 WeakPolarHBondContact O-CG 3.37Å; I178-L182 PolarHBondContact O-N 3.3Å; I178-L182 VanDerWaalsContact O-N 3.13Å; L182-K184 PolarHBondContact O-N 2.95Å
183P88.3Confident74.6Confident91 Ų9176.9 Ų76.959%0.59145%0.453SS*.  trans-71.4111.3-178.628.2-33.6000111.1F22 N185F22-P183 VanDerWaalsContact CZ-O 3.32Å; F22-P183 WeakPolarHBondContact CZ-O 3.27Å; P183-N185 PolarHBondContact O-N 3.12Å
184K83.3Confident71.9Confident46 Ų4677.6 Ų77.620%0.247%0.468CS..THydrogen-bonded Turntrans-81.75.3-178.7-54.5172.8-179.3-179.80114.3K18 D67 T68 L182K18-K184 PolarHBondContact NZ-O 2.75Å; D67-K184 IonicContact OD1-NZ 2.66Å; D67-K184 PolarHBondContact OD1-NZ 3.19Å; D67-K184 IonicContact OD2-NZ 3.83Å; T68-K184 HydrophobicContact CG2-CB 4.5Å; T68-K184 HydrophobicContact CG2-CD 4.1Å; T68-K184 HydrophobicContact CG2-CG 4.25Å; L182-K184 PolarHBondContact O-N 2.95Å
185N67Low69.5Low145 Ų14580.9 Ų80.978%0.77550%0.502SS*.THydrogen-bonded Turntrans-90.2-4.8-163.7-81.8-6.5000116.3P183P183-N185 PolarHBondContact O-N 3.12Å
186E55.7Low66.8Low156 Ų15691.8 Ų91.873%0.72954%0.543SS*.  trans-114.2125.4172.6-77.1-173.7153.600111.7Q188E186-Q188 PolarHBondContact O-N 3.3Å
187P46.8Very low64.3Low109 Ų10996 Ų9671%0.70857%0.568SS**  trans-63.898.7150.117.2-6.5000105.6A189P187-A189 VanDerWaalsContact C-N 3.26Å; P187-A189 PolarHBondContact O-N 3.17Å
188Q50Low61.9Low125 Ų125106.1 Ų106.158%0.58460%0.601SS**  trans-61.8100.7168-144175.413.500105.1Q21 E186 A190Q21-Q188 PolarHBondContact O-OE1 2.74Å; E186-Q188 PolarHBondContact O-N 3.3Å; Q188-A190 PolarHBondContact O-N 3.08Å
189A44.3Very low59.2Low90 Ų90109.5 Ų109.574%0.74464%0.636SS**  trans-50.6118.5175.400000106.3P187 G191P187-A189 VanDerWaalsContact C-N 3.26Å; P187-A189 PolarHBondContact O-N 3.17Å; A189-G191 PolarHBondContact O-N 3.33Å
190A45Very low57.1Low91 Ų91115.9 Ų115.975%0.75268%0.675SS**  trans-45.9114.6167.600000106.1Q188 T192Q188-A190 PolarHBondContact O-N 3.08Å; A190-T192 VanDerWaalsContact C-N 3.3Å; A190-T192 PolarHBondContact O-N 3.39Å
191G40.8Very low54.7Low74 Ų74115.7 Ų115.776%0.76368%0.681SS**  trans-57.999.2-179.700000108.2A189 S193A189-G191 PolarHBondContact O-N 3.33Å; G191-S193 PolarHBondContact O-N 3.36Å
192T39.5Very low52.2Low121 Ų121117.7 Ų117.774%0.74270%0.696SS**  trans-57.6101.3152.738.20000105A190 S194A190-T192 VanDerWaalsContact C-N 3.3Å; A190-T192 PolarHBondContact O-N 3.39Å; T192-S194 PolarHBondContact O-N 3.4Å
193S44.6Very low49.9Very low116 Ų116122.6 Ų122.681%0.81173%0.726SS**  trans-58.181.8156.852.40000107G191 G195G191-S193 PolarHBondContact O-N 3.36Å; S193-G195 PolarHBondContact O-N 2.9Å
194S41.9Very low47.6Very low102 Ų102127.6 Ų127.671%0.71374%0.742SS**  trans-63.796165.3-63.80000105.8T192 R196T192-S194 PolarHBondContact O-N 3.4Å; S194-R196 PolarHBondContact O-N 3.42Å
195G48.3Very low45.5Very low71 Ų71130.5 Ų130.573%0.73277%0.768SS**  trans-49.7114.1171.900000109.1S193S193-G195 PolarHBondContact O-N 2.9Å
196R40.6Very low44.1Very low229 Ų229128 Ų12886%0.86477%0.767SS**  trans-10581.1158.1-148.7170.8-179.2169.3-0.4105.8S194 R198S194-R196 PolarHBondContact O-N 3.42Å; R196-R198 VanDerWaalsContact C-N 3.3Å; R196-R198 PolarHBondContact O-N 2.75Å
197N43.2Very low43.6Very low162 Ų162129.5 Ų129.587%0.86677%0.774SS**  trans-52.798.1161.9-86.6-8.2000107.7G199N197-G199 VanDerWaalsContact C-N 3.27Å; N197-G199 PolarHBondContact O-N 3.32Å
198R47.3Very low43.6Very low232 Ų232130.2 Ų130.288%0.87578%0.779SS**  trans-86.783.7151.5-89.2-174.8166.5176.4-3.9105.9R196 V200R196-R198 VanDerWaalsContact C-N 3.3Å; R196-R198 PolarHBondContact O-N 2.75Å; R198-V200 PolarHBondContact O-N 3Å
199G40Very low43Very low71 Ų71130.3 Ų130.373%0.73279%0.793SS**  trans-60.5121.5163.600000108.2N197 D201N197-G199 VanDerWaalsContact C-N 3.27Å; N197-G199 PolarHBondContact O-N 3.32Å; G199-D201 PolarHBondContact O-N 2.92Å
200V51.5Low42.9Very low134 Ų134131.2 Ų131.281%0.81279%0.794SS**  trans-79.9107.4162.2-114.70000105.3R198 L202R198-V200 PolarHBondContact O-N 3Å; V200-L202 PolarHBondContact O-N 3.14Å
201D42.3Very low42.8Very low139 Ų139138.3 Ų138.374%0.74380%0.802SS**  trans-78.1114.1174.8-158.94.5000108.2G199G199-D201 PolarHBondContact O-N 2.92Å
202L43.3Very low43.5Very low161 Ų161140.1 Ų140.184%0.84380%0.8SS**  trans-105.968.2-178.8-77168.5000109V200V200-L202 PolarHBondContact O-N 3.14Å
203T43.3Very low43.5Very low109 Ų109140.1 Ų140.167%0.66980%0.804SS**  trans-140.683.9166510000110.4
204E40.9Very low43.4Very low196 Ų196141 Ų14192%0.91681%0.808SS**  trans-155.9129.6137.5-139169.9166.500111.8
205S39.3Very low43.5Very low108 Ų108141.2 Ų141.276%0.75581%0.809SS**  trans-82.9136.1-17439.30000113.1
206A38.3Very low43.5Very low91 Ų91149.1 Ų149.175%0.75284%0.835SS**  trans50.1115141.700000120.2
207Q43.4Very low43.6Very low189 Ų189145.2 Ų145.288%0.88383%0.834SS**  -179.9156.598.3-94-170.1-2.200112.6
208P46.9Very low43.7Very low124 Ų124144.3 Ų144.381%0.80583%0.832SS**  trans-97.1144.8-173.736.6-28.9000112.3
209S38.5Very low43.4Very low126 Ų126139.4 Ų139.488%0.88183%0.83SS**  trans-143.4118.8164.465.30000112.5
210S41.1Very low43.6Very low110 Ų110143.4 Ų143.477%0.76984%0.835SS**  trans-88.6126.7178510000113.1
211R44.7Very low43.2Very low240 Ų240144 Ų14491%0.90684%0.837SS**  trans62169145.6-69.9-169.5-176.9-163.32119.5
212P55.2Low43.2Very low111 Ų111144.3 Ų144.372%0.72184%0.843SS**  cis-136.3178.8-24.829.7-7.7000115.4
213C39.8Very low43.2Very low122 Ų122143.1 Ų143.182%0.82484%0.843SS**  trans44.6127.3149-88.40000122.4
214C41Very low43.2Very low133 Ų133145.8 Ų145.890%0.89986%0.856SS**  -169.6147.8117.5-100.20000112.2
215S45.7Very low43.4Very low107 Ų107141.6 Ų141.675%0.74885%0.851SS**  trans-75154.5-177.742.10000114.9
216N47Very low43.8Very low238 Ų238144.6 Ų144.6100%1.27386%0.86SS**  -155.80124.9-13738.6000110.5

Retrieved 216 of 216 residues in 184 ms (Link to these results)

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