A0A087XP69_POEFO Loading...

Adipolin

AlphaFold DB , UniProt , Accession A0A087XP69, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 320 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.8Very low47.8Very low246 Ų246125.8 Ų125.8100%1.21274%0.744SS**  0136.70-98.4176.2161.900109.1
2R38.5Very low48.8Very low249 Ų249119.8 Ų119.894%0.9472%0.719SS**  trans84.490.8176.6-61.4-170.4178-171.3-0.2117.2
3C36.5Very low49.6Very low129 Ų129114.8 Ų114.887%0.87270%0.698SS**  trans-48134.2153.6-70.20000112.1
4G39.1Very low50.5Low78 Ų78111.9 Ų111.980%0.80468%0.681SS**  trans-101.4107.9154.900000108.8S6G4-S6 PolarHBondContact O-N 3.26Å
5C45Very low50.8Low122 Ų122113.4 Ų113.482%0.82468%0.675SS**  trans-65.4123.8167.7-880000109.1
6S47.6Very low50.8Low70 Ų70117.3 Ų117.349%0.4967%0.674SS.*  trans-61.3139.8177.5178.90000111.5G4 L8 A9G4-S6 PolarHBondContact O-N 3.26Å; S6-L8 PolarHBondContact O-N 3.01Å; S6-A9 PolarHBondContact O-N 3.29Å
7P52.9Low51Low104 Ų104115.2 Ų115.268%0.67566%0.664SS**THydrogen-bonded Turntrans-63.2-8.4-176.724.8-33.9000114.6
8L54.9Low51Low135 Ų135115.1 Ų115.171%0.70766%0.657SS**Hα-helixtrans-69.2-28.2175.1-81.2158.5000113.7S6 V10 A12S6-L8 PolarHBondContact O-N 3.01Å; L8-V10 VanDerWaalsContact C-N 3.34Å; L8-A12 PolarHBondContact O-N 3.31Å
9A55.9Low51Low65 Ų65113.6 Ų113.654%0.53765%0.653SS.*Hα-helixtrans-72.8-28.5179.500000112.7S6 A13S6-A9 PolarHBondContact O-N 3.29Å; A9-A13 PolarHBondContact O-N 3.37Å
10V57.4Low50.9Low99 Ų99115.6 Ų115.660%0.665%0.654SS**Hα-helixtrans-75.5-37.7-179.9-176.50000110.9L8 A13 V14L8-V10 VanDerWaalsContact C-N 3.34Å; V10-A13 PolarHBondContact O-N 3.33Å; V10-V14 WeakPolarHBondContact O-CG2 3.42Å; V10-V14 PolarHBondContact O-N 3.34Å; V10-V14 VanDerWaalsContact O-N 3.15Å
11V58.7Low50.8Low87 Ų87117.1 Ų117.153%0.52766%0.659SS.*Hα-helixtrans-68.3-37.8177.7-178.10000111.4V14 F15V11-V14 PolarHBondContact O-N 2.99Å; V11-F15 HydrophobicContact CG1-CD2 4.27Å; V11-F15 PolarHBondContact O-N 3.04Å; V11-F15 VanDerWaalsContact O-N 3.11Å
12A59.2Low51.1Low53 Ų53112.6 Ų112.644%0.43864%0.639SS.*Hα-helixtrans-65.4-37.7175.200000112.4L8 W16L8-A12 PolarHBondContact O-N 3.31Å; A12-W16 WeakPolarHBondContact O-CB 3.47Å; A12-W16 PolarHBondContact O-N 3.1Å
13A59.8Low51.1Low55 Ų55108.2 Ų108.246%0.45563%0.634SS.*Hα-helixtrans-69.5-33.7177.400000113.2A9 V10 T17A9-A13 PolarHBondContact O-N 3.37Å; V10-A13 PolarHBondContact O-N 3.33Å; A13-T17 WeakPolarHBondContact O-CB 3.48Å; A13-T17 WeakPolarHBondContact O-CG2 3.42Å; A13-T17 PolarHBondContact O-N 2.98Å; A13-T17 PolarHBondContact O-OG1 3.15Å
14V61.7Low51.2Low74 Ų74105.2 Ų105.245%0.44863%0.625SS.*Hα-helixtrans-72.9-38.3176.8175.90000111.4V10 V11 T17 Q18V10-V14 WeakPolarHBondContact O-CG2 3.42Å; V10-V14 PolarHBondContact O-N 3.34Å; V10-V14 VanDerWaalsContact O-N 3.15Å; V11-V14 PolarHBondContact O-N 2.99Å; V14-T17 WeakPolarHBondContact CA-OG1 3.42Å; V14-T17 PolarHBondContact O-OG1 3.27Å; V14-T17 VanDerWaalsContact O-OG1 3.08Å; V14-Q18 PolarHBondContact O-N 3.34Å
15F55.8Low51Low135 Ų135108 Ų10859%0.59263%0.626SS**Hα-helixtrans-69.2-37.4173.9-99.3-87.7000112.4V11 Q18 C19V11-F15 HydrophobicContact CG1-CD2 4.27Å; V11-F15 PolarHBondContact O-N 3.04Å; V11-F15 VanDerWaalsContact O-N 3.11Å; F15-Q18 PolarHBondContact O-N 2.9Å; F15-C19 PolarHBondContact O-N 3.14Å; F15-C19 PolarHBondContact O-SG 3.37Å; F15-C19 VanDerWaalsContact O-SG 3.38Å
16W50.8Low50.2Low176 Ų176109.7 Ų109.767%0.66762%0.622SS**Hα-helixtrans-67.5-36.7176.8-144.2-59.9000112A12 F20A12-W16 WeakPolarHBondContact O-CB 3.47Å; A12-W16 PolarHBondContact O-N 3.1Å; W16-F20 AromaticContact CD1-CD2 3.42Å; W16-F20 VanDerWaalsContact CD1-CD2 3.42Å; W16-F20 AromaticContact CD1-CE2 3.28Å; W16-F20 AromaticContact NE1-CD2 3.81Å; W16-F20 AromaticContact NE1-CE2 3.13Å; W16-F20 AromaticContact NE1-CZ 3.98Å; W16-F20 VanDerWaalsContact O-CD2 3.27Å; W16-F20 WeakPolarHBondContact O-CD2 3.28Å; W16-F20 PolarHBondContact O-N 3.17Å; W16-F20 VanDerWaalsContact O-N 3.15Å
17T53.9Low49.5Very low82 Ų82111.1 Ų111.150%0.50364%0.639SS.*Hα-helixtrans-75.2-30.6177.144.80000113.2A13 V14 L21A13-T17 WeakPolarHBondContact O-CB 3.48Å; A13-T17 WeakPolarHBondContact O-CG2 3.42Å; A13-T17 PolarHBondContact O-N 2.98Å; A13-T17 PolarHBondContact O-OG1 3.15Å; V14-T17 WeakPolarHBondContact CA-OG1 3.42Å; V14-T17 PolarHBondContact O-OG1 3.27Å; V14-T17 VanDerWaalsContact O-OG1 3.08Å; T17-L21 WeakPolarHBondContact O-CG 3.01Å; T17-L21 PolarHBondContact O-N 3.4Å
18Q50.9Low48.3Very low113 Ų113116.8 Ų116.853%0.52865%0.646SS.*Hα-helixtrans-72.3-32.8170.8-77.7-173.8-15.800113.2V14 F15V14-Q18 PolarHBondContact O-N 3.34Å; F15-Q18 PolarHBondContact O-N 2.9Å
19C50.9Low47.1Very low86 Ų86119.9 Ų119.958%0.58165%0.654SS**Hα-helixtrans-72.7-30.6174.3-71.30000113.3F15F15-C19 PolarHBondContact O-N 3.14Å; F15-C19 PolarHBondContact O-SG 3.37Å; F15-C19 VanDerWaalsContact O-SG 3.38Å
20F49.4Very low45.8Very low154 Ų154123.9 Ų123.968%0.67566%0.662SS**Hα-helixtrans-79-19.6175.7-89.9-100.7000114W16W16-F20 AromaticContact CD1-CD2 3.42Å; W16-F20 VanDerWaalsContact CD1-CD2 3.42Å; W16-F20 AromaticContact CD1-CE2 3.28Å; W16-F20 AromaticContact NE1-CD2 3.81Å; W16-F20 AromaticContact NE1-CE2 3.13Å; W16-F20 AromaticContact NE1-CZ 3.98Å; W16-F20 VanDerWaalsContact O-CD2 3.27Å; W16-F20 WeakPolarHBondContact O-CD2 3.28Å; W16-F20 PolarHBondContact O-N 3.17Å; W16-F20 VanDerWaalsContact O-N 3.15Å
21L48.5Very low44.4Very low147 Ų147131 Ų13177%0.7768%0.678SS**SBendtrans-89.5-5.8177.8-73.5170.9000114T17T17-L21 WeakPolarHBondContact O-CG 3.01Å; T17-L21 PolarHBondContact O-N 3.4Å
22L45.5Very low42.9Very low151 Ų151135.3 Ų135.379%0.79169%0.689SS**SBendtrans-110.8-4-178.2-84.4162.2000115.1
23D38.4Very low41.5Very low157 Ų157144.3 Ų144.384%0.8471%0.712SS**SBendtrans-107.919.3178.2-142.212000113.3
24G39.7Very low40.2Very low66 Ų66146.8 Ų146.868%0.6872%0.724SS**  trans-102.574.5174.900000112.1
25V33.5Very low38.5Very low136 Ų136153.7 Ų153.782%0.82475%0.748SS**  trans-133.698159.6-176.40000109.3A27V25-A27 PolarHBondContact O-N 2.9Å
26E29.7Very low37Very low158 Ų158155.7 Ų155.774%0.73876%0.759SS**  trans-50.2121.9161.9-76.4175.1106.900111.1R28E26-R28 IonicContact OE1-NE 3.83Å
27A31.3Very low35.9Very low101 Ų101152 Ų15284%0.83577%0.765SS**  trans-108.980.6154.500000108.7V25 K29V25-A27 PolarHBondContact O-N 2.9Å; A27-K29 PolarHBondContact O-N 3.28Å
28R28.9Very low34.7Very low222 Ų222152.6 Ų152.684%0.83878%0.779SS**  trans-59.1121.9158.9-80.8-176.5175.4-166.9-3.3108.9E26E26-R28 IonicContact OE1-NE 3.83Å
29K29Very low33.8Very low201 Ų201152.6 Ų152.687%0.87479%0.789SS**  trans-140.886.8154.1-153.2171.2-175.9176.70111.3A27A27-K29 PolarHBondContact O-N 3.28Å
30E29.1Very low32.6Very low148 Ų148158.3 Ų158.369%0.69281%0.807SS**  trans37107137.4-139.1179.1152.700119.1K32E30-K32 WeakPolarHBondContact OE1-CE 3.43Å
31R26.8Very low31.4Very low249 Ų249158.6 Ų158.694%0.9481%0.81SS**  trans-58.8129.7151.2-84.9175.1167.5175.1-4.1109.9
32K27.9Very low30.3Very low177 Ų177156.3 Ų156.377%0.7780%0.802SS**  trans-125.4112.6152.3-77.6-173.4-179.5177.70110.5E30E30-K32 WeakPolarHBondContact OE1-CE 3.43Å
33R29.8Very low29.4Very low242 Ų242156.8 Ų156.891%0.91380%0.801SS**  trans-149.9155.7149.8-87.1-164.3-173.4-154.82.5105.3
34P32Very low29Very low108 Ų108153.7 Ų153.770%0.70180%0.796SS**  cis-134.4168.818.836.3-17.2000114.5
35K25.9Very low28.4Very low218 Ų218160.2 Ų160.295%0.94880%0.802SS**  trans-132.9117.6143.2-154.6173.8-175.4179.80107
36E25Very low28Very low178 Ų178161.3 Ų161.383%0.83280%0.803SS**  trans-109.9172.8-174.5-177.9167.2-17000109.6
37A26.9Very low28.1Very low97 Ų97159.1 Ų159.180%0.80280%0.801SS**  trans90.6123.4-178.300000114.9
38A29.6Very low27.9Very low95 Ų95160.4 Ų160.479%0.78580%0.798SS**  cis-166.3166.70.200000108.8
39P31.2Very low28.1Very low114 Ų114158.2 Ų158.274%0.7480%0.802SS**  trans-100.5161.5-153.738.2-31.4000113.1
40Q27.4Very low28Very low206 Ų206153.3 Ų153.396%0.96379%0.793SS**  trans-125.9115.9155.9-73.8-173.8-10.300109.2
41H23.7Very low27.9Very low160 Ų160153.6 Ų153.674%0.74180%0.799SS**  trans-102.3144.8179.7162.5-103.2000107.9
42T24.2Very low28.1Very low99 Ų99146 Ų14661%0.60778%0.784SS**  trans58.3143.6170.1260000116.8
43E27.6Very low28.3Very low161 Ų161146.1 Ų146.175%0.75279%0.788SS**  cis-162.5157.345.5-136.9160.8-147.200111.4
44A29.4Very low28.6Very low91 Ų91143.2 Ų143.275%0.75279%0.785SS**  trans-71.1134.5172.800000110.8
45Y26.5Very low28.7Very low204 Ų204145.2 Ų145.280%0.879%0.794SS**  trans-114.998.6167.2-101.4-91.3000110.3
46N27Very low28.8Very low159 Ų159138.4 Ų138.485%0.8579%0.786SS**  trans-94109.2154.8-84.5-22.9000107.6
47V31.6Very low28.9Very low112 Ų112133.9 Ų133.968%0.67979%0.787SS**  trans-155.9100.51571800000106.9
48T26.1Very low29Very low127 Ų127133 Ų13378%0.77979%0.787SS**  76.5113.498-46.10000114.4S50T48-S50 PolarHBondContact O-N 3.05Å
49L33.8Very low29.1Very low177 Ų177135.8 Ų135.893%0.92779%0.787SS**  trans-49.7125.2158.5-74.2159.2000110.5
50S26.8Very low29.4Very low98 Ų98140.2 Ų140.269%0.68580%0.795SS**  trans-166.4112.3148.5-169.10000109.4T48T48-S50 PolarHBondContact O-N 3.05Å
51N25.7Very low29.5Very low153 Ų153136.7 Ų136.782%0.81879%0.788SS**  trans-140.578.9150.7-150.827.4000107.7
52S31.9Very low30.1Very low89 Ų89133.9 Ų133.962%0.62279%0.786SS**  trans-77.2112.7160.519.20000108.3
53E32.9Very low30.8Very low180 Ų180135.7 Ų135.784%0.84179%0.792SS**  trans-104.988.3149.5-82-177.7123.900106.6
54E35.2Very low32Very low182 Ų182136.5 Ų136.585%0.8580%0.796SS**  trans-90117.6157.6-74.6-169.2165.900107.8
55V33.4Very low33.2Very low150 Ų150141.2 Ų141.291%0.90980%0.802SS**  trans-102.396.9154.5172.20000107.5
56G28.1Very low34.8Very low75 Ų75142.8 Ų142.877%0.77381%0.806SS**  trans24119.7149.400000121.4
57G27.5Very low36.6Very low82 Ų82140.4 Ų140.485%0.84580%0.798SS**  trans174.775.4156.200000111.3
58G30.3Very low38.8Very low79 Ų79139.7 Ų139.781%0.81479%0.79SS**  trans-71.2139.8-167.800000115.7
59I31.9Very low41.1Very low153 Ų153138.7 Ų138.779%0.78579%0.786SS**  trans-138.6119.3144.7-76.4163.5000106.3T61I59-T61 HydrophobicContact CG2-CG2 4.34Å; I59-T61 PolarHBondContact O-N 3.47Å
60K37.2Very low43.1Very low207 Ų207135.5 Ų135.590%0.977%0.769SS**  trans-67.5123.3165.5-72.8179.5175.2178.90108.4
61T29.3Very low45.4Very low132 Ų132132 Ų13281%0.8175%0.748SS**  trans-142.8136.7150.841.90000110.3I59I59-T61 HydrophobicContact CG2-CG2 4.34Å; I59-T61 PolarHBondContact O-N 3.47Å
62S36Very low48Very low101 Ų101127.7 Ų127.771%0.70673%0.73SS**  trans-81.1168.9-176.548.20000113
63D39.4Very low50Low137 Ų137130.7 Ų130.773%0.73373%0.728SS**SBendtrans68.5119.6157.8-71.6-43000119.8Q65D63-Q65 PolarHBondContact O-N 2.93Å
64H51.6Low52.3Low179 Ų179126.1 Ų126.183%0.82971%0.708SS**  trans25.680148.8-72.2-76.1000116.5R66H64-R66 VanDerWaalsContact C-N 3.34Å; H64-R66 PolarHBondContact O-N 3.11Å
65Q56Low54.3Low190 Ų190122.5 Ų122.589%0.88869%0.694SS**  trans-70.894.3169.4-161146.19.300109.3D63 V67D63-Q65 PolarHBondContact O-N 2.93Å; Q65-V67 PolarHBondContact O-N 2.85Å; Q65-V67 VanDerWaalsContact O-N 3.15Å
66R60.1Low56.2Low236 Ų236121.2 Ų121.289%0.89168%0.676SS**  trans-54.3117.8164.1-77.1-173.1176.5106.7-2.2107.2H64 D68H64-R66 VanDerWaalsContact C-N 3.34Å; H64-R66 PolarHBondContact O-N 3.11Å; R66-D68 PolarHBondContact O-N 2.89Å
67V64.1Low58.6Low110 Ų110121.7 Ų121.767%0.66766%0.664SS**  trans-64.4117.2174.4-177.90000107.4Q65 P69Q65-V67 PolarHBondContact O-N 2.85Å; Q65-V67 VanDerWaalsContact O-N 3.15Å; V67-P69 WeakPolarHBondContact O-CD 3.36Å
68D76.8Confident60.9Low96 Ų96125.2 Ų125.251%0.51366%0.656SS.*  trans-69.5112.1173.2175.616000109R66 L70 G71 S72R66-D68 PolarHBondContact O-N 2.89Å; D68-L70 PolarHBondContact O-N 2.72Å; D68-L70 PolarHBondContact OD1-N 3.46Å; D68-L70 VanDerWaalsContact OD1-N 3.08Å; D68-G71 VanDerWaalsContact CG-N 3.32Å; D68-G71 PolarHBondContact O-N 3.31Å; D68-G71 WeakPolarHBondContact OD2-CA 3.36Å; D68-G71 PolarHBondContact OD2-N 2.99Å; D68-S72 PolarHBondContact O-N 2.85Å
69P75.4Confident62.8Low107 Ų107129.8 Ų129.870%0.69565%0.649SS**Hα-helixtrans-63.4-33.2-178.2-16.529.7000111.8V67 W73V67-P69 WeakPolarHBondContact O-CD 3.36Å; P69-W73 WeakPolarHBondContact O-CB 3.43Å; P69-W73 PolarHBondContact O-N 2.6Å; P69-W73 VanDerWaalsContact O-N 3.13Å
70L75.8Confident64.5Low110 Ų110127.9 Ų127.958%0.57665%0.647SS**Hα-helixtrans-76.6-41.7-178-17265.5000110.8D68 W73 M74D68-L70 PolarHBondContact O-N 2.72Å; D68-L70 PolarHBondContact OD1-N 3.46Å; D68-L70 VanDerWaalsContact OD1-N 3.08Å; L70-W73 PolarHBondContact O-N 3.48Å; L70-M74 HydrophobicContact CD1-CE 4.28Å; L70-M74 WeakPolarHBondContact O-CG 3.4Å; L70-M74 PolarHBondContact O-N 2.87Å
71G75.5Confident65.6Low23 Ų23125.7 Ų125.724%0.23765%0.65CS.*Hα-helixtrans-58.5-48.6172.500000112.5D68 W73 M74 D75D68-G71 VanDerWaalsContact CG-N 3.32Å; D68-G71 PolarHBondContact O-N 3.31Å; D68-G71 WeakPolarHBondContact OD2-CA 3.36Å; D68-G71 PolarHBondContact OD2-N 2.99Å; G71-W73 VanDerWaalsContact C-N 3.29Å; G71-W73 PolarHBondContact O-N 3.42Å; G71-M74 PolarHBondContact O-N 3.27Å; G71-D75 PolarHBondContact O-N 3.27Å
72S79.4Confident66.9Low64 Ų64121.8 Ų121.845%0.44864%0.636SS.*Hα-helixtrans-62.1-35.5176.9-78.20000113.1D68 F76D68-S72 PolarHBondContact O-N 2.85Å; S72-F76 PolarHBondContact O-N 3.27Å; S72-F76 VanDerWaalsContact O-N 3.11Å
73W73.3Confident67.8Low152 Ų152124.9 Ų124.958%0.57665%0.645SS**Hα-helixtrans-68.3-43.8175.5-177.2-107.6000112P69 L70 G71 D75 F76 V77P69-W73 WeakPolarHBondContact O-CB 3.43Å; P69-W73 PolarHBondContact O-N 2.6Å; P69-W73 VanDerWaalsContact O-N 3.13Å; L70-W73 PolarHBondContact O-N 3.48Å; G71-W73 VanDerWaalsContact C-N 3.29Å; G71-W73 PolarHBondContact O-N 3.42Å; W73-D75 VanDerWaalsContact C-N 3.28Å; W73-D75 PolarHBondContact O-N 3.5Å; W73-F76 HydrophobicContact CE3-CD1 4.33Å; W73-F76 HydrophobicContact CH2-CD1 4.38Å; W73-F76 HydrophobicContact CH2-CE1 4.49Å; W73-F76 HydrophobicContact CZ3-CD1 4.04Å; W73-F76 HydrophobicContact CZ3-CE1 4.39Å; W73-F76 WeakPolarHBondContact O-CB 3.33Å; W73-F76 PolarHBondContact O-N 3.47Å; W73-F76 VanDerWaalsContact O-N 3.15Å; W73-V77 HydrophobicContact CD2-CG2 4.38Å; W73-V77 HydrophobicContact CZ2-CG2 4.24Å; W73-V77 WeakPolarHBondContact O-CG2 3.35Å; W73-V77 PolarHBondContact O-N 3.04Å
74M81.4Confident68.6Low84 Ų84126.2 Ų126.241%0.41465%0.651SS.*Hα-helixtrans-63.3-36.4176.9-71.4-66.4164.800111.8L70 G71 F76 V77 K78L70-M74 HydrophobicContact CD1-CE 4.28Å; L70-M74 WeakPolarHBondContact O-CG 3.4Å; L70-M74 PolarHBondContact O-N 2.87Å; G71-M74 PolarHBondContact O-N 3.27Å; M74-F76 VanDerWaalsContact C-N 3.34Å; M74-V77 PolarHBondContact O-N 3.42Å; M74-K78 VanDerWaalsContact O-CB 3.27Å; M74-K78 WeakPolarHBondContact O-CB 3.31Å; M74-K78 WeakPolarHBondContact O-CG 3.42Å; M74-K78 PolarHBondContact O-N 2.89Å
75D77.9Confident68.7Low105 Ų105123.6 Ų123.656%0.56165%0.65SS**Hα-helixtrans-67.7-33.9174.5-72.3-17.8000112.5G71 W73 R79G71-D75 PolarHBondContact O-N 3.27Å; W73-D75 VanDerWaalsContact C-N 3.28Å; W73-D75 PolarHBondContact O-N 3.5Å; D75-R79 WeakPolarHBondContact O-CG 3.33Å; D75-R79 PolarHBondContact O-N 2.91Å
76F73.4Confident68.4Low123 Ų123126.4 Ų126.454%0.53965%0.652SS.*Hα-helixtrans-68-47.5173175.1-102000111.7S72 W73 M74 K78 R79S72-F76 PolarHBondContact O-N 3.27Å; S72-F76 VanDerWaalsContact O-N 3.11Å; W73-F76 HydrophobicContact CE3-CD1 4.33Å; W73-F76 HydrophobicContact CH2-CD1 4.38Å; W73-F76 HydrophobicContact CH2-CE1 4.49Å; W73-F76 HydrophobicContact CZ3-CD1 4.04Å; W73-F76 HydrophobicContact CZ3-CE1 4.39Å; W73-F76 WeakPolarHBondContact O-CB 3.33Å; W73-F76 PolarHBondContact O-N 3.47Å; W73-F76 VanDerWaalsContact O-N 3.15Å; M74-F76 VanDerWaalsContact C-N 3.34Å; F76-K78 VanDerWaalsContact C-N 3.3Å; F76-K78 PolarHBondContact O-N 3.31Å; F76-R79 WeakPolarHBondContact O-CB 3.31Å; F76-R79 PolarHBondContact O-N 2.97Å
77V78.6Confident68Low86 Ų86125.1 Ų125.152%0.52165%0.653SS.*Hα-helixtrans-64.7-35.7-179.3174.30000111.7W73 M74 R79W73-V77 HydrophobicContact CD2-CG2 4.38Å; W73-V77 HydrophobicContact CZ2-CG2 4.24Å; W73-V77 WeakPolarHBondContact O-CG2 3.35Å; W73-V77 PolarHBondContact O-N 3.04Å; M74-V77 PolarHBondContact O-N 3.42Å; V77-R79 VanDerWaalsContact C-N 3.31Å; V77-R79 PolarHBondContact O-N 3.4Å
78K76.1Confident67.1Low156 Ų156126.1 Ų126.168%0.67866%0.663SS**THydrogen-bonded Turntrans-82.8-2.1-180-69175-177178.30114M74 F76 P80M74-K78 VanDerWaalsContact O-CB 3.27Å; M74-K78 WeakPolarHBondContact O-CB 3.31Å; M74-K78 WeakPolarHBondContact O-CG 3.42Å; M74-K78 PolarHBondContact O-N 2.89Å; F76-K78 VanDerWaalsContact C-N 3.3Å; F76-K78 PolarHBondContact O-N 3.31Å; K78-P80 WeakPolarHBondContact O-CD 3.22Å
79R69.5Low65.7Low174 Ų174133.3 Ų133.366%0.65768%0.683SS**SBendtrans-63124.5174.8-84.7167.3-160-148.36109.2D75 F76 V77 V81D75-R79 WeakPolarHBondContact O-CG 3.33Å; D75-R79 PolarHBondContact O-N 2.91Å; F76-R79 WeakPolarHBondContact O-CB 3.31Å; F76-R79 PolarHBondContact O-N 2.97Å; V77-R79 VanDerWaalsContact C-N 3.31Å; V77-R79 PolarHBondContact O-N 3.4Å; R79-V81 PolarHBondContact O-N 2.91Å; R79-V81 VanDerWaalsContact O-N 3.13Å
80P67.4Low64.4Low114 Ų114138.5 Ų138.574%0.7470%0.695SS**  trans-63.1119.4172.623.7-29.9000109.1K78 G82K78-P80 WeakPolarHBondContact O-CD 3.22Å; P80-G82 PolarHBondContact O-N 3.17Å
81V60.3Low63.2Low161 Ų161144.6 Ų144.698%0.97671%0.71SS**SBendtrans-73.868.7170.1-84.70000109.2R79R79-V81 PolarHBondContact O-N 2.91Å; R79-V81 VanDerWaalsContact O-N 3.13Å
82G57.3Low61.9Low50 Ų50155 Ų15552%0.51574%0.743SS.*SBendtrans-169.3106.4-178.300000111.8P80P80-G82 PolarHBondContact O-N 3.17Å
83N55.3Low60.6Low165 Ų165158.1 Ų158.188%0.88276%0.761SS**  trans74.478.1166.5-59.2-33.2000117.6
84L55.3Low59.6Low166 Ų166155.2 Ų155.287%0.86977%0.77SS**  trans-77.7133.8151-68.7169.1000109.5R86L84-R86 PolarHBondContact O-N 2.99Å
85P53.7Low58.3Low123 Ų123159.4 Ų159.480%0.79979%0.793SS**  trans-66.5117.617725.1-31.1000110.6K87P85-K87 PolarHBondContact O-N 3.36Å
86R48.8Very low57.2Low249 Ų249160.4 Ų160.494%0.9481%0.805SS**  trans-65.195.8174.4-78.2-176.4167.6-175.3-2.4110.5L84L84-R86 PolarHBondContact O-N 2.99Å
87K51.8Low56.4Low210 Ų210157.3 Ų157.391%0.91381%0.808SS**  trans-11082161.5-120.7171.5-176.2173.40109.2P85P85-K87 PolarHBondContact O-N 3.36Å
88C45.8Very low55.7Low130 Ų130159.2 Ų159.288%0.87882%0.822SS**  trans-109.3127.9165.2-86.40000109.5
89R47.8Very low55Low247 Ų247157.9 Ų157.993%0.93283%0.829SS**  trans-58.3138.5-177.5-80.9174164.4173.8-5.5111.8R91R89-R91 PolarHBondContact O-N 2.96Å
90K49.1Very low54.5Low216 Ų216152.5 Ų152.594%0.93983%0.828SS**  trans-44.7109.7175.3-61.9176.7178.3-178.60112.2
91R50.6Low54.5Low239 Ų239153 Ų15390%0.90283%0.831SS**PPolyproline II helixtrans-97.7141.2153.9-73.7-173.2176.1-176.5-0.3107.9R89R89-R91 PolarHBondContact O-N 2.96Å
92R46.5Very low54.9Low242 Ų242151.4 Ų151.491%0.91382%0.824SS**PPolyproline II helixtrans-61.2141.4-173.4-65.2-178.2-179.1-172.6-0.3110.9A94R92-A94 PolarHBondContact O-N 2.92Å
93P52.2Low54.9Low128 Ų128152 Ų15283%0.83183%0.83SS**PPolyproline II helixtrans-68.2129.6-178.7-14.328.6000111.2
94A53.7Low55.5Low92 Ų92150 Ų15076%0.7683%0.826SS**PPolyproline II helixtrans-73.3144158.600000108.6R92R92-A94 PolarHBondContact O-N 2.92Å
95L53.6Low56.3Low172 Ų172148.2 Ų148.290%0.90183%0.825SS**PPolyproline II helixtrans-57.5133.9-178.3-68.2161.9000111G97L95-G97 PolarHBondContact O-N 3.46Å
96P53.8Low56.5Low125 Ų125145.3 Ų145.381%0.81282%0.817SS**  trans-74.6113.3177.2-925.1000110.2
97G58Low57.4Low59 Ų59139.8 Ų139.861%0.60881%0.813SS**PPolyproline II helixtrans-70.6152.9155.700000109.7L95L95-G97 PolarHBondContact O-N 3.46Å
98P62.4Low58.2Low125 Ų125139 Ų13981%0.81281%0.813SS**PPolyproline II helixtrans-59.2138.9178.623.1-31.2000110.6G100P98-G100 PolarHBondContact O-N 3.17Å
99P62.4Low58.7Low129 Ų129135.4 Ų135.484%0.83880%0.798SS**PPolyproline II helixtrans-57.1128.9173.8-20.631.2000110
100G58.9Low59.7Low61 Ų61129.3 Ų129.363%0.62979%0.79SS**PPolyproline II helixtrans-59.2151.9170.100000110.8P98P98-G100 PolarHBondContact O-N 3.17Å
101P67.8Low60.6Low123 Ų123125.1 Ų125.180%0.79979%0.785SS**PPolyproline II helixtrans-57.8143.6-179.923.9-32.8000110.7G103P101-G103 PolarHBondContact O-N 2.92Å
102P68.5Low60.9Low129 Ų129117 Ų11784%0.83878%0.776SS**PPolyproline II helixtrans-54.4126.3173.1-21.831.8000109.8
103G58Low61.4Low62 Ų62114.9 Ų114.964%0.63977%0.774SS**PPolyproline II helixtrans-58.9148.8173.100000110.6P101P101-G103 PolarHBondContact O-N 2.92Å
104P67.6Low61.8Low123 Ų123114.7 Ų114.780%0.79977%0.772SS**PPolyproline II helixtrans-58143178.124.1-32.6000110.3G106P104-G106 PolarHBondContact O-N 3.05Å
105P72.3Confident61.8Low129 Ų129113.4 Ų113.484%0.83877%0.768SS**PPolyproline II helixtrans-54.3126.5172.7-22.332.3000109.7
106G56.7Low62.2Low62 Ų62109.3 Ų109.364%0.63976%0.759SS**PPolyproline II helixtrans-58.6149.8175.100000110.8P104 Q108P104-G106 PolarHBondContact O-N 3.05Å; G106-Q108 PolarHBondContact O-N 3.29Å
107P68.1Low62.3Low132 Ų132112.2 Ų112.286%0.85776%0.761SS**PPolyproline II helixtrans-56.4137.5176.324.1-32.6000110G109P107-G109 PolarHBondContact O-N 2.87Å
108Q69Low62.4Low195 Ų195113.1 Ų113.191%0.91176%0.755SS**PPolyproline II helixtrans-58.8121.9177.9-158.916936.500108.5G106G106-Q108 PolarHBondContact O-N 3.29Å
109G56.3Low63.1Low54 Ų54110.3 Ų110.356%0.55774%0.736SS**PPolyproline II helixtrans-58.5150.7177.100000110.7P107P107-G109 PolarHBondContact O-N 2.87Å
110P68.9Low63.7Low119 Ų119111 Ų11177%0.77373%0.728SS**PPolyproline II helixtrans-55.6147.9178.423.2-32.5000110.6G112P110-G112 PolarHBondContact O-N 3.41Å; P110-G112 VanDerWaalsContact O-N 3.15Å
111P68Low64.7Low128 Ų128114 Ų11483%0.83173%0.725SS**PPolyproline II helixtrans-52.1123.5175.6-22.231.4000109.8F113P111-F113 PolarHBondContact O-N 3.17Å
112G55.6Low65.3Low69 Ų69111.4 Ų111.471%0.71171%0.707SS**PPolyproline II helixtrans-57.6138.6174.900000109.8P110P110-G112 PolarHBondContact O-N 3.41Å; P110-G112 VanDerWaalsContact O-N 3.15Å
113F57.7Low66Low197 Ų197110.3 Ų110.386%0.86469%0.694SS**PPolyproline II helixtrans-52140173.3-68.3-81.4000109.6P111 G115P111-F113 PolarHBondContact O-N 3.17Å; F113-G115 PolarHBondContact O-N 2.96Å
114P59.7Low67.4Low124 Ų124111.3 Ų111.381%0.80568%0.684SS**PPolyproline II helixtrans-53.5122176.720.1-28.9000108A116P114-A116 PolarHBondContact O-N 2.89Å
115G54.3Low68.4Low64 Ų64110.1 Ų110.166%0.6667%0.667SS**PPolyproline II helixtrans-53.4126.6179.600000108.1F113 E117F113-G115 PolarHBondContact O-N 2.96Å; G115-E117 PolarHBondContact O-N 2.92Å
116A61.2Low69.1Low86 Ų86109.9 Ų109.971%0.71166%0.655SS**  trans-53.7114.5174.200000107P114 V118P114-A116 PolarHBondContact O-N 2.89Å; A116-V118 HydrophobicContact CB-CG2 4.13Å; A116-V118 PolarHBondContact O-N 2.68Å
117E56.3Low70.6Confident187 Ų187112 Ų11287%0.87465%0.647SS**  trans-69.980.5173.8-70.6177.117100106.7G115 T119G115-E117 PolarHBondContact O-N 2.92Å; E117-T119 VanDerWaalsContact C-N 3.35Å; E117-T119 PolarHBondContact O-N 2.81Å
118V61.6Low71.6Confident78 Ų78111.9 Ų111.947%0.47363%0.633SS.*  trans-74.396.6175-178.10000105.8A116 V122 L123A116-V118 HydrophobicContact CB-CG2 4.13Å; A116-V118 PolarHBondContact O-N 2.68Å; V118-V122 HydrophobicContact CG1-CB 4.41Å; V118-V122 HydrophobicContact CG1-CG1 4.44Å; V118-L123 HydrophobicContact CG1-CB 4.27Å; V118-L123 HydrophobicContact CG1-CD1 3.7Å
119T77Confident72.7Confident66 Ų66106.4 Ų106.441%0.40561%0.61SS.*  trans-66.5152.5175.378.80000109.2E117 E121 V122 L123E117-T119 VanDerWaalsContact C-N 3.35Å; E117-T119 PolarHBondContact O-N 2.81Å; T119-E121 WeakPolarHBondContact CB-OE2 3.45Å; T119-E121 PolarHBondContact O-N 3.44Å; T119-E121 VanDerWaalsContact O-N 3.1Å; T119-E121 PolarHBondContact OG1-OE2 3.27Å; T119-V122 PolarHBondContact O-N 2.98Å; T119-L123 PolarHBondContact O-N 3.1Å
120Q73.4Confident74.3Confident143 Ų143109 Ų10967%0.66861%0.609SS**Hα-helixtrans-58.1-29.4-175.8-177177.4-8.700111.9L123 L124Q120-L123 PolarHBondContact O-N 3.02Å; Q120-L124 HydrophobicContact CG-CD1 4.11Å; Q120-L124 HydrophobicContact CG-CG 4.49Å; Q120-L124 WeakPolarHBondContact O-CB 3.49Å; Q120-L124 VanDerWaalsContact O-CG 3.28Å; Q120-L124 WeakPolarHBondContact O-CG 3.31Å; Q120-L124 PolarHBondContact O-N 2.67Å
121E81.3Confident75.3Confident125 Ų125107.3 Ų107.358%0.58459%0.593SS**Hα-helixtrans-68.7-40.1179.1-5472.3-152.200111.4T119 L124 Q125T119-E121 WeakPolarHBondContact CB-OE2 3.45Å; T119-E121 PolarHBondContact O-N 3.44Å; T119-E121 VanDerWaalsContact O-N 3.1Å; T119-E121 PolarHBondContact OG1-OE2 3.27Å; E121-L124 PolarHBondContact O-N 2.94Å; E121-Q125 VanDerWaalsContact O-CB 3.31Å; E121-Q125 WeakPolarHBondContact O-CB 3.37Å; E121-Q125 PolarHBondContact O-N 2.76Å
122V79.9Confident76.5Confident68 Ų68106.9 Ų106.941%0.41258%0.578SS.*Hα-helixtrans-64.2-44.3176.1177.50000109.9V118 T119 L124 Q125 E126V118-V122 HydrophobicContact CG1-CB 4.41Å; V118-V122 HydrophobicContact CG1-CG1 4.44Å; T119-V122 PolarHBondContact O-N 2.98Å; V122-L124 PolarHBondContact O-N 3.47Å; V122-Q125 PolarHBondContact O-N 3.05Å; V122-E126 WeakPolarHBondContact O-CG 3.29Å; V122-E126 PolarHBondContact O-N 3.18Å
123L82.3Confident78.1Confident106 Ų106107.9 Ų107.956%0.55556%0.564SS**Hα-helixtrans-64.8-41179.3-151.8104.9000112.3V118 T119 Q120 Q125 F127V118-L123 HydrophobicContact CG1-CB 4.27Å; V118-L123 HydrophobicContact CG1-CD1 3.7Å; T119-L123 PolarHBondContact O-N 3.1Å; Q120-L123 PolarHBondContact O-N 3.02Å; L123-Q125 VanDerWaalsContact C-N 3.29Å; L123-F127 WeakPolarHBondContact O-CB 3.07Å; L123-F127 PolarHBondContact O-N 3.48Å
124L87.4Confident79.2Confident83 Ų83100.1 Ų100.144%0.43554%0.536SS..Hα-helixtrans-67.4-32.5175.6-75.2172000111.9Q120 E121 V122 K128Q120-L124 HydrophobicContact CG-CD1 4.11Å; Q120-L124 HydrophobicContact CG-CG 4.49Å; Q120-L124 WeakPolarHBondContact O-CB 3.49Å; Q120-L124 VanDerWaalsContact O-CG 3.28Å; Q120-L124 WeakPolarHBondContact O-CG 3.31Å; Q120-L124 PolarHBondContact O-N 2.67Å; E121-L124 PolarHBondContact O-N 2.94Å; V122-L124 PolarHBondContact O-N 3.47Å; L124-K128 WeakPolarHBondContact O-CB 3.46Å; L124-K128 VanDerWaalsContact O-CG 3.22Å; L124-K128 WeakPolarHBondContact O-CG 3.25Å; L124-K128 PolarHBondContact O-N 2.76Å
125Q89Confident80.2Confident97 Ų9797.7 Ų97.745%0.45352%0.519SS..Hα-helixtrans-70.3-46.9176.5-169.258.238.400111E121 V122 L123 F127 K128 D129E121-Q125 VanDerWaalsContact O-CB 3.31Å; E121-Q125 WeakPolarHBondContact O-CB 3.37Å; E121-Q125 PolarHBondContact O-N 2.76Å; V122-Q125 PolarHBondContact O-N 3.05Å; L123-Q125 VanDerWaalsContact C-N 3.29Å; Q125-F127 VanDerWaalsContact C-N 3.28Å; Q125-F127 PolarHBondContact O-N 3.06Å; Q125-K128 PolarHBondContact O-N 3.43Å; Q125-K128 VanDerWaalsContact O-N 3.17Å; Q125-D129 PolarHBondContact NE2-OD1 3.08Å; Q125-D129 PolarHBondContact O-N 2.77Å
126E88.1Confident81.7Confident124 Ų12499.7 Ų99.758%0.57951%0.511SS*.Hα-helixtrans-60.2-39173.9-70.7-171.1164.200111.9V122 D129 M130V122-E126 WeakPolarHBondContact O-CG 3.29Å; V122-E126 PolarHBondContact O-N 3.18Å; E126-D129 PolarHBondContact O-N 3.27Å; E126-M130 WeakPolarHBondContact O-CB 3.42Å; E126-M130 PolarHBondContact O-N 2.81Å
127F87.6Confident82.5Confident108 Ų108103.1 Ų103.147%0.47451%0.506SS..Hα-helixtrans-64.5-42.8175.6-179.9-104.1000112.5L123 Q125 D129 M130 I131L123-F127 WeakPolarHBondContact O-CB 3.07Å; L123-F127 PolarHBondContact O-N 3.48Å; Q125-F127 VanDerWaalsContact C-N 3.28Å; Q125-F127 PolarHBondContact O-N 3.06Å; F127-D129 VanDerWaalsContact C-N 3.34Å; F127-M130 HydrophobicContact CD2-CE 3.74Å; F127-M130 HydrophobicContact CE2-CE 4.45Å; F127-M130 PolarHBondContact O-N 2.76Å; F127-I131 HydrophobicContact CD1-CD1 4.18Å; F127-I131 HydrophobicContact CE1-CD1 3.41Å; F127-I131 VanDerWaalsContact CE1-CD1 3.41Å; F127-I131 HydrophobicContact CE1-CG1 4.21Å; F127-I131 HydrophobicContact CE2-CD1 4.2Å; F127-I131 HydrophobicContact CE2-CG1 4.41Å; F127-I131 HydrophobicContact CZ-CD1 3.43Å; F127-I131 VanDerWaalsContact CZ-CD1 3.43Å; F127-I131 HydrophobicContact CZ-CG1 4.11Å; F127-I131 PolarHBondContact O-N 2.91Å
128K90.2Very high83.4Confident129 Ų129102.4 Ų102.456%0.56150%0.495SS*.Hα-helixtrans-63.2-42.3175.8-77.4170.9-178.9178.10111.5L124 Q125 I131 K132L124-K128 WeakPolarHBondContact O-CB 3.46Å; L124-K128 VanDerWaalsContact O-CG 3.22Å; L124-K128 WeakPolarHBondContact O-CG 3.25Å; L124-K128 PolarHBondContact O-N 2.76Å; Q125-K128 PolarHBondContact O-N 3.43Å; Q125-K128 VanDerWaalsContact O-N 3.17Å; K128-I131 PolarHBondContact O-N 2.7Å; K128-K132 WeakPolarHBondContact O-CB 3.39Å; K128-K132 PolarHBondContact O-N 2.94Å
129D91.1Very high84.1Confident79 Ų79101.2 Ų101.242%0.42249%0.493SS..Hα-helixtrans-66.3-40.6179-70-21.5000110.8Q125 E126 F127 I131 K132 E133Q125-D129 PolarHBondContact NE2-OD1 3.08Å; Q125-D129 PolarHBondContact O-N 2.77Å; E126-D129 PolarHBondContact O-N 3.27Å; F127-D129 VanDerWaalsContact C-N 3.34Å; D129-I131 PolarHBondContact O-N 2.69Å; D129-K132 PolarHBondContact O-N 3.07Å; D129-E133 WeakPolarHBondContact O-CB 3.27Å; D129-E133 PolarHBondContact O-N 2.64Å
130M89.4Confident83.9Confident109 Ų109100.7 Ų100.754%0.53750%0.496SS..Hα-helixtrans-61.8-43173176.1175.833.600112.6E126 F127 A134E126-M130 WeakPolarHBondContact O-CB 3.42Å; E126-M130 PolarHBondContact O-N 2.81Å; F127-M130 HydrophobicContact CD2-CE 3.74Å; F127-M130 HydrophobicContact CE2-CE 4.45Å; F127-M130 PolarHBondContact O-N 2.76Å; M130-A134 VanDerWaalsContact O-CB 3.31Å; M130-A134 WeakPolarHBondContact O-CB 3.41Å; M130-A134 PolarHBondContact O-N 2.99Å
131I91Very high83.5Confident84 Ų8496.2 Ų96.243%0.43148%0.484SS..Hα-helixtrans-63.3-45175.5-73.9-168.8000110.6F127 K128 D129 E133 A134 T135F127-I131 HydrophobicContact CD1-CD1 4.18Å; F127-I131 HydrophobicContact CE1-CD1 3.41Å; F127-I131 VanDerWaalsContact CE1-CD1 3.41Å; F127-I131 HydrophobicContact CE1-CG1 4.21Å; F127-I131 HydrophobicContact CE2-CD1 4.2Å; F127-I131 HydrophobicContact CE2-CG1 4.41Å; F127-I131 HydrophobicContact CZ-CD1 3.43Å; F127-I131 VanDerWaalsContact CZ-CD1 3.43Å; F127-I131 HydrophobicContact CZ-CG1 4.11Å; F127-I131 PolarHBondContact O-N 2.91Å; K128-I131 PolarHBondContact O-N 2.7Å; D129-I131 PolarHBondContact O-N 2.69Å; I131-E133 PolarHBondContact O-N 3.06Å; I131-A134 PolarHBondContact O-N 2.81Å; I131-T135 HydrophobicContact CG2-CG2 4.37Å; I131-T135 WeakPolarHBondContact O-CG2 3.32Å; I131-T135 PolarHBondContact O-N 3.16Å; I131-T135 PolarHBondContact O-OG1 3.35Å; I131-T135 VanDerWaalsContact O-OG1 3.11Å
132K92.2Very high82.7Confident119 Ų11995.8 Ų95.852%0.51748%0.484SS..Hα-helixtrans-60.9-44.6179.3-177.4-178.1172.6-171.10111.7K128 D129 A134 T135 E136K128-K132 WeakPolarHBondContact O-CB 3.39Å; K128-K132 PolarHBondContact O-N 2.94Å; D129-K132 PolarHBondContact O-N 3.07Å; K132-A134 VanDerWaalsContact C-N 3.34Å; K132-A134 PolarHBondContact O-N 3.29Å; K132-T135 WeakPolarHBondContact CA-OG1 3.28Å; K132-T135 PolarHBondContact O-N 3.36Å; K132-T135 PolarHBondContact O-OG1 2.93Å; K132-E136 WeakPolarHBondContact CE-OE1 3.43Å; K132-E136 WeakPolarHBondContact CG-OE1 3.46Å; K132-E136 WeakPolarHBondContact O-CB 3.42Å; K132-E136 VanDerWaalsContact O-CG 3.28Å; K132-E136 WeakPolarHBondContact O-CG 3Å; K132-E136 PolarHBondContact O-N 3.05Å
133E89.9Confident81.7Confident89 Ų8998.8 Ų98.842%0.41650%0.498SS..Hα-helixtrans-65.6-38.7177.8-161-168160.400111.5D129 I131 R137D129-E133 WeakPolarHBondContact O-CB 3.27Å; D129-E133 PolarHBondContact O-N 2.64Å; I131-E133 PolarHBondContact O-N 3.06Å; E133-R137 VanDerWaalsContact CG-NH1 3.28Å; E133-R137 WeakPolarHBondContact O-CG 3.43Å; E133-R137 PolarHBondContact O-N 2.83Å; E133-R137 IonicContact OE1-CZ 3.03Å; E133-R137 IonicContact OE1-NH1 2.72Å; E133-R137 PolarHBondContact OE1-NH1 2.93Å; E133-R137 IonicContact OE1-NH2 2.6Å; E133-R137 PolarHBondContact OE1-NH2 3.47Å; E133-R137 IonicContact OE2-NH1 3.84Å
134A79.4Confident80.5Confident34 Ų34104.4 Ų104.428%0.28151%0.512SS..Hα-helixtrans-69.6-33.6176.300000112.9M130 I131 K132 R138M130-A134 VanDerWaalsContact O-CB 3.31Å; M130-A134 WeakPolarHBondContact O-CB 3.41Å; M130-A134 PolarHBondContact O-N 2.99Å; I131-A134 PolarHBondContact O-N 2.81Å; K132-A134 VanDerWaalsContact C-N 3.34Å; K132-A134 PolarHBondContact O-N 3.29Å; A134-R138 WeakPolarHBondContact O-CG 3.15Å; A134-R138 PolarHBondContact O-N 3.1Å
135T82.5Confident78.9Confident74 Ų74107.5 Ų107.545%0.45452%0.524SS..Hα-helixtrans-74.1-40.8175.250.20000111.5I131 K132 R137 R138 A139I131-T135 HydrophobicContact CG2-CG2 4.37Å; I131-T135 WeakPolarHBondContact O-CG2 3.32Å; I131-T135 PolarHBondContact O-N 3.16Å; I131-T135 PolarHBondContact O-OG1 3.35Å; I131-T135 VanDerWaalsContact O-OG1 3.11Å; K132-T135 WeakPolarHBondContact CA-OG1 3.28Å; K132-T135 PolarHBondContact O-N 3.36Å; K132-T135 PolarHBondContact O-OG1 2.93Å; T135-R137 PolarHBondContact O-N 2.86Å; T135-R138 PolarHBondContact O-N 2.64Å; T135-R138 VanDerWaalsContact O-N 3.17Å; T135-A139 PolarHBondContact O-N 2.82Å
136E84.3Confident76.9Confident106 Ų106107.9 Ų107.950%0.49553%0.534SS..Hα-helixtrans-62.2-40.6175.6-74172.1-175.200112K132 R138 A139 A140K132-E136 WeakPolarHBondContact CE-OE1 3.43Å; K132-E136 WeakPolarHBondContact CG-OE1 3.46Å; K132-E136 WeakPolarHBondContact O-CB 3.42Å; K132-E136 VanDerWaalsContact O-CG 3.28Å; K132-E136 WeakPolarHBondContact O-CG 3Å; K132-E136 PolarHBondContact O-N 3.05Å; E136-R138 VanDerWaalsContact C-N 3.32Å; E136-R138 PolarHBondContact O-N 2.87Å; E136-A139 PolarHBondContact O-N 3.19Å; E136-A140 WeakPolarHBondContact O-CB 3.38Å; E136-A140 PolarHBondContact O-N 3.15Å
137R78.5Confident74.7Confident157 Ų157107 Ų10759%0.59254%0.541SS*.Hα-helixtrans-61.2-37.6173.1-77.7-173.4178.3105.33.9113.3E133 T135 A141E133-R137 VanDerWaalsContact CG-NH1 3.28Å; E133-R137 WeakPolarHBondContact O-CG 3.43Å; E133-R137 PolarHBondContact O-N 2.83Å; E133-R137 IonicContact OE1-CZ 3.03Å; E133-R137 IonicContact OE1-NH1 2.72Å; E133-R137 PolarHBondContact OE1-NH1 2.93Å; E133-R137 IonicContact OE1-NH2 2.6Å; E133-R137 PolarHBondContact OE1-NH2 3.47Å; E133-R137 IonicContact OE2-NH1 3.84Å; T135-R137 PolarHBondContact O-N 2.86Å; R137-A141 WeakPolarHBondContact O-CB 3.11Å; R137-A141 PolarHBondContact O-N 3.34Å; R137-A141 VanDerWaalsContact O-N 3.15Å
138R75.3Confident72.7Confident172 Ų172108 Ų10865%0.64956%0.559SS**Hα-helixtrans-72.2-39.3176.1-72.1-178-178113.7-4.9111.7A134 T135 E136 A141 L142A134-R138 WeakPolarHBondContact O-CG 3.15Å; A134-R138 PolarHBondContact O-N 3.1Å; T135-R138 PolarHBondContact O-N 2.64Å; T135-R138 VanDerWaalsContact O-N 3.17Å; E136-R138 VanDerWaalsContact C-N 3.32Å; E136-R138 PolarHBondContact O-N 2.87Å; R138-A141 PolarHBondContact O-N 2.68Å; R138-L142 WeakPolarHBondContact O-CG 3.32Å; R138-L142 PolarHBondContact O-N 2.97Å
139A75.6Confident70.4Confident53 Ų53106.9 Ų106.944%0.43857%0.567SS.*Hα-helixtrans-63.5-45.2175.900000111.7T135 E136 A141 L142 D143T135-A139 PolarHBondContact O-N 2.82Å; E136-A139 PolarHBondContact O-N 3.19Å; A139-A141 VanDerWaalsContact C-N 3.27Å; A139-A141 PolarHBondContact O-N 2.71Å; A139-L142 WeakPolarHBondContact O-CB 3.47Å; A139-L142 PolarHBondContact O-N 2.84Å; A139-L142 VanDerWaalsContact O-N 3.1Å; A139-D143 PolarHBondContact O-N 3.31Å
140A73.1Confident68.2Low56 Ų56111.8 Ų111.846%0.46359%0.587SS.*Hα-helixtrans-64-30.8175.200000113E136 R144E136-A140 WeakPolarHBondContact O-CB 3.38Å; E136-A140 PolarHBondContact O-N 3.15Å; A140-R144 WeakPolarHBondContact O-CG 3.41Å; A140-R144 PolarHBondContact O-N 3.41Å
141A66.1Low66Low49 Ų49114.9 Ų114.941%0.40560%0.6SS.*Hα-helixtrans-71.7-31.6173.600000112.7R137 R138 A139R137-A141 WeakPolarHBondContact O-CB 3.11Å; R137-A141 PolarHBondContact O-N 3.34Å; R137-A141 VanDerWaalsContact O-N 3.15Å; R138-A141 PolarHBondContact O-N 2.68Å; A139-A141 VanDerWaalsContact C-N 3.27Å; A139-A141 PolarHBondContact O-N 2.71Å
142L63.3Low63.8Low115 Ų115116.4 Ų116.460%0.60262%0.615SS**Hα-helixtrans-74-40.4175.5-72.1162.3000111.6R138 A139 R144 Q145 T146R138-L142 WeakPolarHBondContact O-CG 3.32Å; R138-L142 PolarHBondContact O-N 2.97Å; A139-L142 WeakPolarHBondContact O-CB 3.47Å; A139-L142 PolarHBondContact O-N 2.84Å; A139-L142 VanDerWaalsContact O-N 3.1Å; L142-R144 VanDerWaalsContact C-N 3.26Å; L142-R144 PolarHBondContact O-N 2.85Å; L142-Q145 PolarHBondContact O-N 2.88Å; L142-T146 PolarHBondContact O-OG1 3.36Å
143D58.8Low61.8Low132 Ų132115.1 Ų115.171%0.70662%0.618SS**Hα-helixtrans-65.6-27.4177.1-97.2-13.7000113.3A139 Q145 T146A139-D143 PolarHBondContact O-N 3.31Å; D143-Q145 PolarHBondContact O-N 2.78Å; D143-T146 PolarHBondContact O-OG1 3.47Å
144R58.6Low59.9Low224 Ų224115.2 Ų115.285%0.84563%0.634SS**THydrogen-bonded Turntrans-70-14.1171.9-75.8-176.6179.4-169.20.6113.6A140 L142A140-R144 WeakPolarHBondContact O-CG 3.41Å; A140-R144 PolarHBondContact O-N 3.41Å; L142-R144 VanDerWaalsContact C-N 3.26Å; L142-R144 PolarHBondContact O-N 2.85Å
145Q53.4Low58.3Low148 Ų148120.9 Ų120.969%0.69266%0.659SS**THydrogen-bonded Turntrans-100.6-1.6-178.6-64.6-17211.900113.3L142 D143 S147L142-Q145 PolarHBondContact O-N 2.88Å; D143-Q145 PolarHBondContact O-N 2.78Å; Q145-S147 PolarHBondContact O-N 2.93Å
146T46.2Very low56.8Low105 Ų105122.8 Ų122.864%0.64467%0.665SS**  trans-85.349.5-177.3-18.70000113.1L142 D143L142-T146 PolarHBondContact O-OG1 3.36Å; D143-T146 PolarHBondContact O-OG1 3.47Å
147S41.7Very low55Low104 Ų104123 Ų12373%0.72767%0.674SS**SBendtrans-96.2124.5157.3-65.70000107.9Q145 S149Q145-S147 PolarHBondContact O-N 2.93Å; S147-S149 PolarHBondContact O-N 3.23Å
148P47.2Very low53.5Low131 Ų131123.3 Ų123.385%0.85169%0.687SS**  trans-84.2110.2-158.331.7-32.8000111.7
149S41.5Very low52.1Low105 Ų105121.8 Ų121.873%0.73469%0.687SS**  trans-162.1110.5147.535.10000112.5S147S147-S149 PolarHBondContact O-N 3.23Å
150Q44.2Very low50.9Low181 Ų181122.5 Ų122.585%0.84670%0.7SS**  trans67.5107143-60.9179.2-19.100120
151Q44.2Very low49.8Very low175 Ų175127.8 Ų127.882%0.81872%0.717SS**SBendtrans81.3147.6144.9-70-179.5-9.100119.1T153Q151-T153 PolarHBondContact O-N 2.85Å; Q151-T153 VanDerWaalsContact O-N 3.14Å
152P43.3Very low49.1Very low115 Ų115129.5 Ų129.575%0.74773%0.73SS**  trans-80.3106-148.127.4-25.7000112.3A154P152-A154 PolarHBondContact O-N 2.74Å
153T49.8Very low48.5Very low92 Ų92128.7 Ų128.756%0.56474%0.735SS**THydrogen-bonded Turntrans-6624.5173.1-30.40000114.3Q151 L155 L156 T157Q151-T153 PolarHBondContact O-N 2.85Å; Q151-T153 VanDerWaalsContact O-N 3.14Å; T153-L155 VanDerWaalsContact C-N 3.29Å; T153-L156 HydrophobicContact CG2-CB 4.1Å; T153-L156 HydrophobicContact CG2-CD1 4.37Å; T153-T157 PolarHBondContact O-OG1 3.08Å
154A51.4Low48.2Very low92 Ų92130.7 Ų130.776%0.7674%0.739SS**THydrogen-bonded Turntrans-81.2-9.417800000112.9P152P152-A154 PolarHBondContact O-N 2.74Å
155L46.1Very low48.4Very low153 Ų153130.3 Ų130.380%0.80174%0.738SS**SBendtrans-96.6-8.6174.4-114.4176.4000114.2T153T153-L155 VanDerWaalsContact C-N 3.29Å
156L50.5Low49.3Very low113 Ų113132.4 Ų132.459%0.59274%0.739SS**SBendtrans-107.1-4.6-173.6-64.1177.2000114.5T153T153-L156 HydrophobicContact CG2-CB 4.1Å; T153-L156 HydrophobicContact CG2-CD1 4.37Å
157T46.7Very low51.1Low110 Ų110131.2 Ų131.268%0.67573%0.728SS**THydrogen-bonded Turntrans-97.5-2.6178.4120000114.5T153 E159T153-T157 PolarHBondContact O-OG1 3.08Å; T157-E159 VanDerWaalsContact C-N 3.3Å
158L46.2Very low53.1Low164 Ų164130.9 Ų130.986%0.85972%0.715SS**THydrogen-bonded Turntrans-94.519163.7-154.572.9000112.1
159E46.8Very low55.2Low141 Ų141124.8 Ų124.866%0.65968%0.676SS**SBendtrans-105.5-10.9174.4-150.6153.3-166.900111.7T157T157-E159 VanDerWaalsContact C-N 3.3Å
160G49.5Very low57.7Low68 Ų68120 Ų12070%0.70164%0.642SS**SBendtrans-99.31-174.400000116.6
161M49.6Very low60Low167 Ų167111.4 Ų111.482%0.82360%0.602SS**SBendtrans-116.981.2178.4-62-168.181.300109.7
162A51.4Low62.4Low84 Ų84104.7 Ų104.769%0.69457%0.57SS**  trans54.172.7172.500000114.3H164A162-H164 VanDerWaalsContact C-N 3.26Å; A162-H164 PolarHBondContact O-N 2.03Å
163S51.8Low64.8Low99 Ų9999.2 Ų99.269%0.69254%0.535SS*.  trans-52.2104.5145.458.20000105.9R165S163-R165 PolarHBondContact O-N 3.03Å
164H51.8Low66.9Low174 Ų17497.9 Ų97.981%0.80652%0.521SS*.  trans-37112.3176.4-69-96.5000107.7A162 R166A162-H164 VanDerWaalsContact C-N 3.26Å; A162-H164 PolarHBondContact O-N 2.03Å; H164-R166 VanDerWaalsContact C-N 3.26Å; H164-R166 VanDerWaalsContact O-CA 3.24Å; H164-R166 WeakPolarHBondContact O-CA 3.18Å; H164-R166 WeakPolarHBondContact O-CB 3.39Å; H164-R166 PolarHBondContact O-N 2.92Å
165R62.6Low69Low215 Ų21593.7 Ų93.781%0.81149%0.486SS*.  trans-54.295.2-169-146.3-177.1-169.6-160.92.7107.1S163 I167S163-R165 PolarHBondContact O-N 3.03Å; R165-I167 PolarHBondContact O-N 2.88Å; R165-I167 VanDerWaalsContact O-N 3.1Å
166R73.8Confident71.2Confident192 Ų19293.1 Ų93.173%0.72548%0.477SS*.  trans-80.3109.7-158.2-148.3-161.7152149.8-3.7104H164 Q168 R203H164-R166 VanDerWaalsContact C-N 3.26Å; H164-R166 VanDerWaalsContact O-CA 3.24Å; H164-R166 WeakPolarHBondContact O-CA 3.18Å; H164-R166 WeakPolarHBondContact O-CB 3.39Å; H164-R166 PolarHBondContact O-N 2.92Å; R166-Q168 PolarHBondContact O-N 2.9Å; R166-R203 VanDerWaalsContact CB-NH2 3.27Å; R166-R203 VanDerWaalsContact NE-NH2 3.2Å; R166-R203 PolarHBondContact O-NH2 2.85Å
167I82.7Confident73.2Confident80 Ų8089 Ų8941%0.4146%0.462SS..  trans-35.9111.3-177.1-62.8163.8000110.4R165 A170 R203 I316R165-I167 PolarHBondContact O-N 2.88Å; R165-I167 VanDerWaalsContact O-N 3.1Å; I167-A170 HydrophobicContact CG2-CB 3.56Å; I167-R203 WeakPolarHBondContact O-CD 3.26Å; I167-R203 PolarHBondContact O-NE 2.68Å; I167-R203 PolarHBondContact O-NH1 2.87Å; I167-R203 PolarHBondContact O-NH2 3.4Å; I167-I316 HydrophobicContact CD1-CD1 3.71Å; I167-I316 HydrophobicContact CG1-CD1 4.08Å; I167-I316 HydrophobicContact CG2-CD1 3.71Å; I167-I316 HydrophobicContact CG2-CG1 3.69Å
168Q85.2Confident75.5Confident97 Ų9787.8 Ų87.845%0.45346%0.456SS..SBendtrans-72.8-48.7-167.8-59.6-169.554.900111.1R166 I218 L317 E320R166-Q168 PolarHBondContact O-N 2.9Å; Q168-I218 HydrophobicContact CB-CD1 4.28Å; Q168-L317 HydrophobicContact CB-CD2 4.13Å; Q168-E320 PolarHBondContact NE2-OE1 3.39Å
169E91.1Very high77.8Confident4 Ų481.5 Ų81.52%0.01942%0.424CS..SBendtrans-123.9122.8179.4-62.3-177.6-177.400109.1F214 Q217 Y222 L317E169-F214 HydrophobicContact CB-CZ 4.44Å; E169-F214 WeakPolarHBondContact OE2-CZ 3.41Å; E169-Q217 WeakPolarHBondContact OE1-CA 3.46Å; E169-Q217 WeakPolarHBondContact OE1-CB 3.18Å; E169-Q217 VanDerWaalsContact OE1-CG 3.29Å; E169-Q217 WeakPolarHBondContact OE1-CG 3.41Å; E169-Q217 PolarHBondContact OE1-N 2.88Å; E169-Y222 HydrophobicContact CB-CE1 4.31Å; E169-Y222 WeakPolarHBondContact OE2-CE1 3.26Å; E169-Y222 PolarHBondContact OE2-OH 3.23Å; E169-L317 HydrophobicContact CB-CB 4.1Å; E169-L317 PolarHBondContact O-N 2.96Å
170A92.9Very high80.1Confident3 Ų379 Ų793%0.02542%0.418CS..EExtended strand (participates in β ladder)trans-159.4144.7169.300000110.4I167 F201 R203 G315 I316I167-A170 HydrophobicContact CG2-CB 3.56Å; A170-F201 HydrophobicContact CB-CD2 4.13Å; A170-F201 HydrophobicContact CB-CE2 3.54Å; A170-R203 PolarHBondContact N-O 3.35Å; A170-R203 VanDerWaalsContact N-O 3.08Å; A170-R203 WeakPolarHBondContact O-CA 3.49Å; A170-R203 VanDerWaalsContact O-CB 3.25Å; A170-R203 WeakPolarHBondContact O-CB 3.16Å; A170-R203 PolarHBondContact O-N 2.83Å; A170-R203 VanDerWaalsContact O-O 3.09Å; A170-G315 CarbonylContact C-O 3.48Å; A170-G315 WeakPolarHBondContact CA-O 3.5Å; A170-I316 HydrophobicContact CB-CB 4.07Å; A170-I316 HydrophobicContact CB-CD1 4.36Å; A170-I316 HydrophobicContact CB-CG1 3.97Å
171F93.8Very high82.3Confident1 Ų175.7 Ų75.70%0.00439%0.385CS..EExtended strand (participates in β ladder)trans-143.1153177.865.2-87.4000111.1F201 L202 M207 F214 F224 F313 M314 G315F171-F201 CarbonylContact C-O 3.56Å; F171-F201 WeakPolarHBondContact CA-O 3.35Å; F171-L202 HydrophobicContact CB-CD1 3.82Å; F171-M207 HydrophobicContact CB-CB 4.11Å; F171-M207 HydrophobicContact CB-CG 4.38Å; F171-M207 HydrophobicContact CD1-CB 4.16Å; F171-M207 HydrophobicContact CD2-CB 4.35Å; F171-M207 HydrophobicContact CD2-CG 3.96Å; F171-M207 HydrophobicContact CD2-SD 4.02Å; F171-M207 HydrophobicContact CE2-CG 4.41Å; F171-M207 HydrophobicContact CE2-SD 3.87Å; F171-M207 HydrophobicContact CG-CB 3.94Å; F171-M207 HydrophobicContact CG-CG 4.06Å; F171-M207 HydrophobicContact CG-SD 4.47Å; F171-M207 HydrophobicContact CZ-SD 4.17Å; F171-F214 AromaticContact CD1-CD2 3.48Å; F171-F214 HydrophobicContact CD1-CD2 3.48Å; F171-F214 VanDerWaalsContact CD1-CD2 3.48Å; F171-F214 AromaticContact CD1-CE2 3.68Å; F171-F214 HydrophobicContact CD1-CE2 3.68Å; F171-F214 HydrophobicContact CD1-CG 4.19Å; F171-F214 HydrophobicContact CE1-CB 3.89Å; F171-F214 HydrophobicContact CE1-CD1 4.08Å; F171-F214 AromaticContact CE1-CD2 3.19Å; F171-F214 HydrophobicContact CE1-CD2 3.19Å; F171-F214 HydrophobicContact CE1-CE1 4.44Å; F171-F214 AromaticContact CE1-CE2 3.64Å; F171-F214 HydrophobicContact CE1-CE2 3.64Å; F171-F214 AromaticContact CE1-CG 3.42Å; F171-F214 HydrophobicContact CE1-CG 3.42Å; F171-F214 VanDerWaalsContact CE1-CG 3.42Å; F171-F214 HydrophobicContact CE1-CZ 4.23Å; F171-F214 HydrophobicContact CZ-CB 3.97Å; F171-F214 HydrophobicContact CZ-CD2 4.1Å; F171-F214 HydrophobicContact CZ-CG 4.01Å; F171-F224 HydrophobicContact CE1-CE1 4.07Å; F171-F224 HydrophobicContact CZ-CD1 4.22Å; F171-F224 HydrophobicContact CZ-CE1 4Å; F171-F313 AromaticContact CE2-CD1 3.54Å; F171-F313 HydrophobicContact CE2-CD1 3.54Å; F171-F313 HydrophobicContact CE2-CD2 4.22Å; F171-F313 AromaticContact CE2-CE1 3.62Å; F171-F313 HydrophobicContact CE2-CE1 3.62Å; F171-F313 HydrophobicContact CE2-CE2 4.3Å; F171-F313 AromaticContact CE2-CG 3.85Å; F171-F313 HydrophobicContact CE2-CG 3.85Å; F171-F313 HydrophobicContact CE2-CZ 4.02Å; F171-F313 HydrophobicContact CZ-CD1 4.07Å; F171-F313 HydrophobicContact CZ-CD2 4.49Å; F171-F313 AromaticContact CZ-CE1 3.65Å; F171-F313 HydrophobicContact CZ-CE1 3.65Å; F171-F313 HydrophobicContact CZ-CE2 4.13Å; F171-F313 HydrophobicContact CZ-CG 4.47Å; F171-F313 AromaticContact CZ-CZ 3.69Å; F171-F313 HydrophobicContact CZ-CZ 3.69Å; F171-M314 VanDerWaalsContact O-CA 3.31Å; F171-M314 WeakPolarHBondContact O-CA 3.38Å; F171-G315 VanDerWaalsContact CE1-CA 3.49Å; F171-G315 PolarHBondContact N-O 3.45Å; F171-G315 PolarHBondContact O-N 3.07Å; F171-G315 VanDerWaalsContact O-N 3.1Å
172H93.8Very high84.4Confident34 Ų3472.5 Ų72.516%0.15737%0.371CS..EExtended strand (participates in β ladder)trans-137.7111.9168.5178.2178.4000107.4F201 D312 M314H172-F201 HydrophobicContact CB-CD1 4.45Å; H172-F201 HydrophobicContact CB-CE1 4.23Å; H172-F201 HydrophobicContact CB-CE2 4.41Å; H172-F201 HydrophobicContact CB-CZ 4.21Å; H172-F201 PolarHBondContact N-O 3.44Å; H172-D312 IonicContact NE2-OD1 3.64Å; H172-M314 HydrophobicContact CB-CG 4.09Å
173C93.2Very high86.3Confident0 Ų074.8 Ų74.80%037%0.365CS..EExtended strand (participates in β ladder)trans-122.4152.2178.8-61.70000110.6F192 Q193 F313C173-F192 HydrophobicContact CB-CB 3.96Å; C173-F192 HydrophobicContact CB-CD1 4.14Å; C173-F192 HydrophobicContact CB-CG 4.38Å; C173-Q193 WeakPolarHBondContact CA-O 3.29Å; C173-F313 PolarHBondContact N-O 2.8Å; C173-F313 PolarHBondContact O-N 2.95Å
174K94.1Very high88.2Confident64 Ų6478 Ų7828%0.27837%0.366SS..EExtended strand (participates in β ladder)trans-119.4147.4171.6-75.1-176.2-173.3-93.50110.4K176 F192 Q193 P195 G310 S311 D312K174-K176 PolarHBondContact O-N 2.84Å; K174-F192 CarbonylContact O-C 3.54Å; K174-F192 WeakPolarHBondContact O-CA 3.4Å; K174-Q193 PolarHBondContact N-O 3.07Å; K174-Q193 PolarHBondContact O-N 3.22Å; K174-P195 HydrophobicContact CB-CG 3.82Å; K174-P195 HydrophobicContact CD-CB 4.3Å; K174-P195 HydrophobicContact CD-CG 3.49Å; K174-P195 VanDerWaalsContact CD-CG 3.49Å; K174-P195 HydrophobicContact CG-CG 3.48Å; K174-P195 VanDerWaalsContact CG-CG 3.48Å; K174-G310 PolarHBondContact NZ-O 3.41Å; K174-S311 CarbonylContact C-O 3.5Å; K174-S311 VanDerWaalsContact CA-O 3.28Å; K174-S311 WeakPolarHBondContact CA-O 3.41Å; K174-D312 WeakPolarHBondContact CE-OD1 3.24Å; K174-D312 WeakPolarHBondContact CG-OD1 3.4Å; K174-D312 IonicContact NZ-OD1 2.61Å; K174-D312 PolarHBondContact NZ-OD1 2.77Å; K174-D312 IonicContact NZ-OD2 3.76Å
175L94.8Very high90.3Very high4 Ų471.8 Ų71.82%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-63.9126.8174.3-164.469.4000110.3G177 V179 Q190 F192 I307 G310 S311L175-G177 VanDerWaalsContact CD2-O 3.27Å; L175-G177 WeakPolarHBondContact CD2-O 3.47Å; L175-G177 WeakPolarHBondContact CG-O 3.19Å; L175-V179 HydrophobicContact CD1-CG2 4.34Å; L175-V179 HydrophobicContact CD2-CG2 3.98Å; L175-Q190 WeakPolarHBondContact CD1-O 3.04Å; L175-F192 HydrophobicContact CB-CE1 4.32Å; L175-F192 HydrophobicContact CD1-CD1 4.43Å; L175-F192 HydrophobicContact CD1-CE1 4.15Å; L175-F192 HydrophobicContact CD1-CE2 4.31Å; L175-F192 HydrophobicContact CD1-CZ 4.09Å; L175-I307 HydrophobicContact CD2-CB 4.48Å; L175-I307 HydrophobicContact CD2-CG2 3.72Å; L175-G310 PolarHBondContact O-N 3.03Å; L175-G310 VanDerWaalsContact O-N 3.07Å; L175-S311 PolarHBondContact N-O 3.41Å
176K93.2Very high91.9Very high142 Ų14266.2 Ų66.262%0.61733%0.327SS*.SBendtrans-68.8-38-174.5176.5171.9-180-175.20113.3K174 N191 Q193K174-K176 PolarHBondContact O-N 2.84Å; K176-N191 WeakPolarHBondContact CB-O 2.99Å; K176-N191 PolarHBondContact N-O 2.81Å; K176-Q193 HydrophobicContact CB-CG 4.19Å; K176-Q193 VanDerWaalsContact CG-OE1 3.28Å
177G92.4Very high92.9Very high26 Ų2659 Ų5927%0.26830%0.304SS..SBendtrans-143.6170.6-175.700000112.1L175L175-G177 VanDerWaalsContact CD2-O 3.27Å; L175-G177 WeakPolarHBondContact CD2-O 3.47Å; L175-G177 WeakPolarHBondContact CG-O 3.19Å
178P94.4Very high93.6Very high85 Ų8556.6 Ų56.655%0.55229%0.291SS*.  trans-69.1143.3175.829.5-33.8000111.3T306 I307P178-T306 HydrophobicContact CB-CG2 3.91Å; P178-I307 CarbonylContact C-O 3.57Å; P178-I307 WeakPolarHBondContact CA-O 3.38Å
179V95.6Very high94.1Very high32 Ų3252.1 Ų52.119%0.19427%0.27CS..EExtended strand (participates in β ladder)trans-121.8122.6177.7176.30000108.9L175 V187 L189 I307L175-V179 HydrophobicContact CD1-CG2 4.34Å; L175-V179 HydrophobicContact CD2-CG2 3.98Å; V179-V187 HydrophobicContact CG1-CG1 4.33Å; V179-L189 HydrophobicContact CG1-CD2 4.49Å; V179-I307 HydrophobicContact CB-CB 4.45Å; V179-I307 PolarHBondContact N-O 3.46Å; V179-I307 PolarHBondContact O-N 2.89Å
180V94.9Very high94.2Very high87 Ų8755.9 Ų55.953%0.52729%0.288SS..EExtended strand (participates in β ladder)trans-86.8128.1177.1-177.60000109T306V180-T306 HydrophobicContact CG2-CG2 4.36Å
181V95.6Very high94.3Very high0 Ų060.3 Ų60.30%031%0.311CS..EExtended strand (participates in β ladder)trans-113113176.5-175.50000108.2V187 V297 N299 S304 I305 I307V181-V187 HydrophobicContact CB-CG2 4.47Å; V181-V187 HydrophobicContact CG1-CB 4.16Å; V181-V187 HydrophobicContact CG1-CG2 3.87Å; V181-V187 HydrophobicContact CG2-CB 4.15Å; V181-V187 HydrophobicContact CG2-CG1 4.48Å; V181-V187 HydrophobicContact CG2-CG2 4.41Å; V181-V297 HydrophobicContact CG2-CG1 4.48Å; V181-N299 HydrophobicContact CG1-CB 3.64Å; V181-N299 PolarHBondContact O-ND2 3.19Å; V181-S304 WeakPolarHBondContact O-CA 3.42Å; V181-I305 HydrophobicContact CB-CD1 4.41Å; V181-I305 HydrophobicContact CB-CG1 3.83Å; V181-I305 PolarHBondContact N-O 2.84Å; V181-I305 PolarHBondContact O-N 3.22Å; V181-I307 HydrophobicContact CG2-CD1 3.85Å; V181-I307 HydrophobicContact CG2-CG1 4.27Å
182D94.1Very high94.3Very high100 Ų10060.8 Ų60.854%0.53531%0.313SS..  trans-66.5161.5-177.6-77-42.3000112.4K184 T185 N299D182-K184 PolarHBondContact O-N 2.88Å; D182-T185 HydrophobicContact CB-CG2 3.72Å; D182-T185 PolarHBondContact N-OG1 2.9Å; D182-T185 PolarHBondContact O-N 2.77Å; D182-T185 PolarHBondContact O-OG1 2.86Å; D182-N299 PolarHBondContact O-ND2 2.94Å
183K91.7Very high94.2Very high131 Ų13162.8 Ų62.857%0.5732%0.323SS*.THydrogen-bonded Turntrans-59.3135.5177.365.2-171.7177.8-171.50111.4T185 A301 G302K183-T185 VanDerWaalsContact C-N 3.25Å; K183-T185 WeakPolarHBondContact O-CG2 3.5Å; K183-T185 PolarHBondContact O-N 2.85Å; K183-A301 WeakPolarHBondContact CB-O 3.43Å; K183-G302 VanDerWaalsContact CD-O 3.26Å; K183-G302 WeakPolarHBondContact CD-O 3.1Å
184K91.6Very high94.1Very high166 Ų16664.7 Ų64.772%0.72233%0.334SS*.THydrogen-bonded Turntrans5636.9179.5-54-177.3179.4-178.80113.6D182 N299 A301D182-K184 PolarHBondContact O-N 2.88Å; K184-N299 CarbonylContact C-O 3.56Å; K184-N299 WeakPolarHBondContact CA-O 3.36Å; K184-N299 PolarHBondContact N-O 2.83Å; K184-A301 PolarHBondContact N-O 2.71Å
185T95.3Very high93.6Very high45 Ų4562.3 Ų62.328%0.27633%0.325SS..EExtended strand (participates in β ladder)trans-122.6150.1178.867.40000111.9D182 K183 N299D182-T185 HydrophobicContact CB-CG2 3.72Å; D182-T185 PolarHBondContact N-OG1 2.9Å; D182-T185 PolarHBondContact O-N 2.77Å; D182-T185 PolarHBondContact O-OG1 2.86Å; K183-T185 VanDerWaalsContact C-N 3.25Å; K183-T185 WeakPolarHBondContact O-CG2 3.5Å; K183-T185 PolarHBondContact O-N 2.85Å; T185-N299 PolarHBondContact N-O 2.81Å; T185-N299 PolarHBondContact O-N 2.8Å
186L95.3Very high92.6Very high98 Ų9868.5 Ų68.551%0.51337%0.366SS..EExtended strand (participates in β ladder)trans-105.7122.9169.8-178.874000107.9L251 Y296 V297 D298L186-L251 HydrophobicContact CD1-CD1 4.39Å; L186-Y296 HydrophobicContact CG-CD1 4.46Å; L186-V297 WeakPolarHBondContact CA-O 3.25Å; L186-D298 HydrophobicContact CD1-CB 3.67Å
187V96Very high91.9Very high40 Ų4064.9 Ų64.924%0.24236%0.362CS..EExtended strand (participates in β ladder)trans-125.1131.4-178.3174.40000110.1V179 V181 Y296 V297V179-V187 HydrophobicContact CG1-CG1 4.33Å; V181-V187 HydrophobicContact CB-CG2 4.47Å; V181-V187 HydrophobicContact CG1-CB 4.16Å; V181-V187 HydrophobicContact CG1-CG2 3.87Å; V181-V187 HydrophobicContact CG2-CB 4.15Å; V181-V187 HydrophobicContact CG2-CG1 4.48Å; V181-V187 HydrophobicContact CG2-CG2 4.41Å; V187-Y296 CarbonylContact O-C 3.53Å; V187-Y296 WeakPolarHBondContact O-CA 3.35Å; V187-V297 PolarHBondContact N-O 2.9Å; V187-V297 PolarHBondContact O-N 2.89Å
188E96.1Very high90.6Very high30 Ų3074.4 Ų74.414%0.1440%0.396CS..EExtended strand (participates in β ladder)trans-77.3131.9169.1-171.4174.3-14600109.6Q190 R213 S294 Y296E188-Q190 HydrophobicContact CG-CG 4.45Å; E188-R213 IonicContact OE1-CZ 3.51Å; E188-R213 IonicContact OE1-NE 3.12Å; E188-R213 PolarHBondContact OE1-NE 2.8Å; E188-R213 IonicContact OE1-NH2 3.31Å; E188-R213 PolarHBondContact OE1-NH2 2.94Å; E188-R213 IonicContact OE2-CZ 3.68Å; E188-R213 IonicContact OE2-NE 2.85Å; E188-R213 IonicContact OE2-NH2 2.84Å; E188-R213 PolarHBondContact OE2-NH2 3.4Å; E188-S294 WeakPolarHBondContact OE1-CB 3.25Å; E188-S294 PolarHBondContact OE1-OG 3.1Å; E188-Y296 HydrophobicContact CB-CD1 3.86Å; E188-Y296 HydrophobicContact CB-CE1 3.53Å; E188-Y296 HydrophobicContact CG-CD1 4.24Å; E188-Y296 HydrophobicContact CG-CE1 3.66Å; E188-Y296 PolarHBondContact OE1-OH 2.94Å
189L95.7Very high89.7Confident2 Ų273.2 Ų73.21%0.0140%0.399CS..  trans-79.8130.6176.1-54.9-169.8000110.2V179 F192 V228 I295 V297 I307V179-L189 HydrophobicContact CG1-CD2 4.49Å; L189-F192 HydrophobicContact CB-CE2 3.89Å; L189-F192 HydrophobicContact CB-CZ 3.85Å; L189-F192 WeakPolarHBondContact O-CE2 3.33Å; L189-V228 HydrophobicContact CD1-CG2 4.49Å; L189-I295 HydrophobicContact CB-CB 4.36Å; L189-I295 HydrophobicContact CD1-CB 4.15Å; L189-I295 HydrophobicContact CD1-CG2 3.65Å; L189-I295 HydrophobicContact CG-CB 4.26Å; L189-I295 HydrophobicContact CG-CG2 4.02Å; L189-I295 PolarHBondContact N-O 2.94Å; L189-V297 HydrophobicContact CD1-CG2 4.07Å; L189-V297 HydrophobicContact CD2-CG2 4.03Å; L189-V297 HydrophobicContact CG-CG2 4.15Å; L189-I307 HydrophobicContact CD1-CD1 4.08Å; L189-I307 HydrophobicContact CD2-CD1 3.34Å; L189-I307 HydrophobicContact CG-CD1 4.33Å
190Q94.8Very high89.1Confident83 Ų8372.8 Ų72.839%0.38840%0.399SS..  trans-134174.8-175.9-55.8-176.8100110L175 E188L175-Q190 WeakPolarHBondContact CD1-O 3.04Å; E188-Q190 HydrophobicContact CG-CG 4.45Å
191N93.4Very high88.8Confident97 Ų9773.3 Ų73.352%0.51940%0.395SS..  trans60.955.5178.6-54.4-60.8000113.2K176 S210K176-N191 WeakPolarHBondContact CB-O 2.99Å; K176-N191 PolarHBondContact N-O 2.81Å; N191-S210 PolarHBondContact N-O 3.13Å
192F93.4Very high88.5Confident11 Ų1177.1 Ų77.15%0.04842%0.415CS..EExtended strand (participates in β ladder)trans-81.1160.4169.4-73-89.3000111.1C173 K174 L175 L189 M207 Q209 I295 F313C173-F192 HydrophobicContact CB-CB 3.96Å; C173-F192 HydrophobicContact CB-CD1 4.14Å; C173-F192 HydrophobicContact CB-CG 4.38Å; K174-F192 CarbonylContact O-C 3.54Å; K174-F192 WeakPolarHBondContact O-CA 3.4Å; L175-F192 HydrophobicContact CB-CE1 4.32Å; L175-F192 HydrophobicContact CD1-CD1 4.43Å; L175-F192 HydrophobicContact CD1-CE1 4.15Å; L175-F192 HydrophobicContact CD1-CE2 4.31Å; L175-F192 HydrophobicContact CD1-CZ 4.09Å; L189-F192 HydrophobicContact CB-CE2 3.89Å; L189-F192 HydrophobicContact CB-CZ 3.85Å; L189-F192 WeakPolarHBondContact O-CE2 3.33Å; F192-M207 HydrophobicContact CB-CE 4.34Å; F192-M207 HydrophobicContact CD2-CE 4.32Å; F192-M207 HydrophobicContact CG-CE 4.36Å; F192-Q209 PolarHBondContact N-O 2.87Å; F192-Q209 WeakPolarHBondContact O-CB 3.47Å; F192-I295 HydrophobicContact CZ-CD1 4.04Å; F192-F313 HydrophobicContact CD1-CB 4.31Å; F192-F313 HydrophobicContact CE1-CB 3.78Å; F192-F313 HydrophobicContact CZ-CB 4.24Å
193Q92.7Very high88.3Confident76 Ų7676.4 Ų76.436%0.35540%0.404SS..EExtended strand (participates in β ladder)trans-140.6146.1171.263.1-179.432.400109.3C173 K174 K176 P195C173-Q193 WeakPolarHBondContact CA-O 3.29Å; K174-Q193 PolarHBondContact N-O 3.07Å; K174-Q193 PolarHBondContact O-N 3.22Å; K176-Q193 HydrophobicContact CB-CG 4.19Å; K176-Q193 VanDerWaalsContact CG-OE1 3.28Å; Q193-P195 VanDerWaalsContact O-CD 3.26Å; Q193-P195 WeakPolarHBondContact O-CD 3.08Å
194T90.1Very high88.1Confident39 Ų3971.9 Ų71.924%0.23940%0.395CS..  trans-73.5119.7167.7-62.40000108.3A200 Q209T194-A200 HydrophobicContact CG2-CB 3.96Å; T194-Q209 PolarHBondContact OG1-NE2 2.85Å
195P84.2Confident87.9Confident14 Ų1472.9 Ų72.99%0.09140%0.399CS..  trans-56138.3178.7-24.832.9000111.1K174 Q193 A197 A200K174-P195 HydrophobicContact CB-CG 3.82Å; K174-P195 HydrophobicContact CD-CB 4.3Å; K174-P195 HydrophobicContact CD-CG 3.49Å; K174-P195 VanDerWaalsContact CD-CG 3.49Å; K174-P195 HydrophobicContact CG-CG 3.48Å; K174-P195 VanDerWaalsContact CG-CG 3.48Å; Q193-P195 VanDerWaalsContact O-CD 3.26Å; Q193-P195 WeakPolarHBondContact O-CD 3.08Å; P195-A197 HydrophobicContact CB-CB 4.45Å; P195-A197 PolarHBondContact O-N 3.05Å; P195-A200 HydrophobicContact CB-CB 3.82Å; P195-A200 HydrophobicContact CG-CB 3.94Å; P195-A200 VanDerWaalsContact O-CB 3.25Å; P195-A200 WeakPolarHBondContact O-CB 3.4Å
196P74.8Confident87.6Confident135 Ų13571 Ų7188%0.87739%0.389SS*.SBendtrans-72.53175.529.7-34.8000113.1
197A78Confident87.5Confident65 Ų6567.1 Ų67.154%0.53737%0.368SS..SBendtrans-71.2140.6-179.700000111.4P195 G199 A200P195-A197 HydrophobicContact CB-CB 4.45Å; P195-A197 PolarHBondContact O-N 3.05Å; A197-G199 PolarHBondContact O-N 3.38Å; A197-A200 PolarHBondContact O-N 2.82Å; A197-A200 VanDerWaalsContact O-N 3.13Å
198K64.9Low87.4Confident226 Ų22668.3 Ų68.398%0.98337%0.374SS*.THydrogen-bonded Turntrans-59.996.3173.9-66-178.9-179.6-179.60109.2
199G76.2Confident87.1Confident60 Ų6070 Ų7062%0.61938%0.382SS*.THydrogen-bonded Turntrans140.6-19.2-178.500000114.6A197 F201A197-G199 PolarHBondContact O-N 3.38Å; G199-F201 WeakPolarHBondContact O-CD1 3.4Å
200A82.8Confident87Confident24 Ų2473.2 Ų73.220%0.19840%0.404CS..  trans-77.6144.616600000110.4T194 P195 A197T194-A200 HydrophobicContact CG2-CB 3.96Å; P195-A200 HydrophobicContact CB-CB 3.82Å; P195-A200 HydrophobicContact CG-CB 3.94Å; P195-A200 VanDerWaalsContact O-CB 3.25Å; P195-A200 WeakPolarHBondContact O-CB 3.4Å; A197-A200 PolarHBondContact O-N 2.82Å; A197-A200 VanDerWaalsContact O-N 3.13Å
201F87.4Confident86.8Confident97 Ų9771.5 Ų71.543%0.42540%0.399SS..  trans-143.3149.6-17754.7-94.3000110.5A170 F171 H172 G199A170-F201 HydrophobicContact CB-CD2 4.13Å; A170-F201 HydrophobicContact CB-CE2 3.54Å; F171-F201 CarbonylContact C-O 3.56Å; F171-F201 WeakPolarHBondContact CA-O 3.35Å; H172-F201 HydrophobicContact CB-CD1 4.45Å; H172-F201 HydrophobicContact CB-CE1 4.23Å; H172-F201 HydrophobicContact CB-CE2 4.41Å; H172-F201 HydrophobicContact CB-CZ 4.21Å; H172-F201 PolarHBondContact N-O 3.44Å; G199-F201 WeakPolarHBondContact O-CD1 3.4Å
202L90Very high86.8Confident81 Ų8166.9 Ų66.942%0.42437%0.374SS..EExtended strand (participates in β ladder)trans-129.8117.8168.4-172.278.3000106.1F171 M207F171-L202 HydrophobicContact CB-CD1 3.82Å; L202-M207 HydrophobicContact CD1-CB 3.85Å; L202-M207 HydrophobicContact CD1-CG 4.18Å
203R89.4Confident86.8Confident84 Ų8470.1 Ų70.132%0.31739%0.387SS..EExtended strand (participates in β ladder)trans-134.5131-175.1-172.9162.7-175.7-173.5-21110.6R166 I167 A170R166-R203 VanDerWaalsContact CB-NH2 3.27Å; R166-R203 VanDerWaalsContact NE-NH2 3.2Å; R166-R203 PolarHBondContact O-NH2 2.85Å; I167-R203 WeakPolarHBondContact O-CD 3.26Å; I167-R203 PolarHBondContact O-NE 2.68Å; I167-R203 PolarHBondContact O-NH1 2.87Å; I167-R203 PolarHBondContact O-NH2 3.4Å; A170-R203 PolarHBondContact N-O 3.35Å; A170-R203 VanDerWaalsContact N-O 3.08Å; A170-R203 WeakPolarHBondContact O-CA 3.49Å; A170-R203 VanDerWaalsContact O-CB 3.25Å; A170-R203 WeakPolarHBondContact O-CB 3.16Å; A170-R203 PolarHBondContact O-N 2.83Å; A170-R203 VanDerWaalsContact O-O 3.09Å
204G87.8Confident87Confident36 Ų3666.7 Ų66.737%0.37137%0.37SS..SBendtrans83.8-177.2-163.600000111.1
205K86.9Confident87.3Confident187 Ų18767.6 Ų67.681%0.81338%0.376SS*.SBendtrans-116.117.5175.9-45.5173.1178.8174.60112.3Q217K205-Q217 VanDerWaalsContact CB-NE2 3.32Å; K205-Q217 PolarHBondContact O-NE2 2.92Å
206G89.4Confident87.8Confident6 Ų666.9 Ų66.96%0.06237%0.372CS..  trans-74.3-34.6-174.700000113.8F214 T215G206-F214 CarbonylContact O-C 3.56Å; G206-F214 WeakPolarHBondContact O-CA 3.17Å; G206-T215 WeakPolarHBondContact CA-O 3.31Å; G206-T215 PolarHBondContact O-N 3.32Å
207M92.8Very high88.6Confident16 Ų1664.9 Ų64.98%0.07935%0.35CS..EExtended strand (participates in β ladder)trans-87.1116.2-177-177.165.2-170.300111.8F171 F192 L202 F214 F313F171-M207 HydrophobicContact CB-CB 4.11Å; F171-M207 HydrophobicContact CB-CG 4.38Å; F171-M207 HydrophobicContact CD1-CB 4.16Å; F171-M207 HydrophobicContact CD2-CB 4.35Å; F171-M207 HydrophobicContact CD2-CG 3.96Å; F171-M207 HydrophobicContact CD2-SD 4.02Å; F171-M207 HydrophobicContact CE2-CG 4.41Å; F171-M207 HydrophobicContact CE2-SD 3.87Å; F171-M207 HydrophobicContact CG-CB 3.94Å; F171-M207 HydrophobicContact CG-CG 4.06Å; F171-M207 HydrophobicContact CG-SD 4.47Å; F171-M207 HydrophobicContact CZ-SD 4.17Å; F192-M207 HydrophobicContact CB-CE 4.34Å; F192-M207 HydrophobicContact CD2-CE 4.32Å; F192-M207 HydrophobicContact CG-CE 4.36Å; L202-M207 HydrophobicContact CD1-CB 3.85Å; L202-M207 HydrophobicContact CD1-CG 4.18Å; M207-F214 HydrophobicContact CB-CD2 3.99Å; M207-F214 HydrophobicContact SD-CB 3.87Å; M207-F313 HydrophobicContact CE-CD1 3.89Å; M207-F313 HydrophobicContact CE-CE1 4.17Å; M207-F313 HydrophobicContact SD-CD1 4.34Å; M207-F313 HydrophobicContact SD-CE1 4.16Å
208D93.8Very high89.3Confident66 Ų6663.8 Ų63.835%0.35334%0.335SS..EExtended strand (participates in β ladder)trans-92.3112.6167.1177.66.2000110.1S210 T211 G212 R213D208-S210 VanDerWaalsContact C-N 3.32Å; D208-S210 PolarHBondContact O-N 2.89Å; D208-S210 PolarHBondContact OD1-N 3.47Å; D208-S210 PolarHBondContact OD1-OG 2.77Å; D208-S210 PolarHBondContact OD2-OG 3.5Å; D208-T211 WeakPolarHBondContact CB-OG1 3.35Å; D208-T211 WeakPolarHBondContact OD2-CB 3.31Å; D208-T211 WeakPolarHBondContact OD2-CG2 3.42Å; D208-T211 PolarHBondContact OD2-OG1 3.01Å; D208-G212 WeakPolarHBondContact O-CA 3.47Å; D208-G212 PolarHBondContact O-N 3.11Å; D208-R213 PolarHBondContact N-O 2.83Å; D208-R213 PolarHBondContact O-N 3.42Å
209Q91.4Very high90.7Very high66 Ų6655.9 Ų55.931%0.30831%0.306SS..THydrogen-bonded Turntrans-67.8-31.7-177-68.2178.6-3.500112.9F192 T194F192-Q209 PolarHBondContact N-O 2.87Å; F192-Q209 WeakPolarHBondContact O-CB 3.47Å; T194-Q209 PolarHBondContact OG1-NE2 2.85Å
210S91.9Very high91.6Very high69 Ų6953.1 Ų53.148%0.48328%0.277SS..THydrogen-bonded Turntrans-72.2-50.9-176.665.80000110.9N191 D208N191-S210 PolarHBondContact N-O 3.13Å; D208-S210 VanDerWaalsContact C-N 3.32Å; D208-S210 PolarHBondContact O-N 2.89Å; D208-S210 PolarHBondContact OD1-N 3.47Å; D208-S210 PolarHBondContact OD1-OG 2.77Å; D208-S210 PolarHBondContact OD2-OG 3.5Å
211T92Very high92.2Very high46 Ų4656 Ų5628%0.28229%0.288SS..THydrogen-bonded Turntrans-80.6-18.8179.259.30000113.2D208 R213D208-T211 WeakPolarHBondContact CB-OG1 3.35Å; D208-T211 WeakPolarHBondContact OD2-CB 3.31Å; D208-T211 WeakPolarHBondContact OD2-CG2 3.42Å; D208-T211 PolarHBondContact OD2-OG1 3.01Å; T211-R213 PolarHBondContact O-N 2.88Å
212G92.1Very high92.6Very high0 Ų051.3 Ų51.30%027%0.268CS..THydrogen-bonded Turntrans71.121.5-175.500000113.3D208 S294D208-G212 WeakPolarHBondContact O-CA 3.47Å; D208-G212 PolarHBondContact O-N 3.11Å; G212-S294 PolarHBondContact O-OG 3.31Å
213R95.4Very high92.9Very high80 Ų8051.3 Ų51.330%0.30227%0.266SS..EExtended strand (participates in β ladder)trans-106.9131.9-178.3-63.9-177.9177.8171.24.7110.5E188 D208 T211 Y292 T293E188-R213 IonicContact OE1-CZ 3.51Å; E188-R213 IonicContact OE1-NE 3.12Å; E188-R213 PolarHBondContact OE1-NE 2.8Å; E188-R213 IonicContact OE1-NH2 3.31Å; E188-R213 PolarHBondContact OE1-NH2 2.94Å; E188-R213 IonicContact OE2-CZ 3.68Å; E188-R213 IonicContact OE2-NE 2.85Å; E188-R213 IonicContact OE2-NH2 2.84Å; E188-R213 PolarHBondContact OE2-NH2 3.4Å; D208-R213 PolarHBondContact N-O 2.83Å; D208-R213 PolarHBondContact O-N 3.42Å; T211-R213 PolarHBondContact O-N 2.88Å; R213-Y292 HydrophobicContact CB-CD2 4.31Å; R213-Y292 HydrophobicContact CG-CD2 4.08Å; R213-T293 WeakPolarHBondContact CA-O 3.43Å
214F95.5Very high93.2Very high3 Ų347.3 Ų47.31%0.01325%0.251CS..EExtended strand (participates in β ladder)trans-101.8114.4171.8173.6-101.1000109.9E169 F171 G206 M207 A216 Y222 F224 L287 Y292 T293E169-F214 HydrophobicContact CB-CZ 4.44Å; E169-F214 WeakPolarHBondContact OE2-CZ 3.41Å; F171-F214 AromaticContact CD1-CD2 3.48Å; F171-F214 HydrophobicContact CD1-CD2 3.48Å; F171-F214 VanDerWaalsContact CD1-CD2 3.48Å; F171-F214 AromaticContact CD1-CE2 3.68Å; F171-F214 HydrophobicContact CD1-CE2 3.68Å; F171-F214 HydrophobicContact CD1-CG 4.19Å; F171-F214 HydrophobicContact CE1-CB 3.89Å; F171-F214 HydrophobicContact CE1-CD1 4.08Å; F171-F214 AromaticContact CE1-CD2 3.19Å; F171-F214 HydrophobicContact CE1-CD2 3.19Å; F171-F214 HydrophobicContact CE1-CE1 4.44Å; F171-F214 AromaticContact CE1-CE2 3.64Å; F171-F214 HydrophobicContact CE1-CE2 3.64Å; F171-F214 AromaticContact CE1-CG 3.42Å; F171-F214 HydrophobicContact CE1-CG 3.42Å; F171-F214 VanDerWaalsContact CE1-CG 3.42Å; F171-F214 HydrophobicContact CE1-CZ 4.23Å; F171-F214 HydrophobicContact CZ-CB 3.97Å; F171-F214 HydrophobicContact CZ-CD2 4.1Å; F171-F214 HydrophobicContact CZ-CG 4.01Å; G206-F214 CarbonylContact O-C 3.56Å; G206-F214 WeakPolarHBondContact O-CA 3.17Å; M207-F214 HydrophobicContact CB-CD2 3.99Å; M207-F214 HydrophobicContact SD-CB 3.87Å; F214-A216 HydrophobicContact CE1-CB 4.45Å; F214-Y222 AromaticContact CE1-CD1 3.81Å; F214-Y222 HydrophobicContact CE1-CD1 3.81Å; F214-Y222 AromaticContact CE1-CE1 3.67Å; F214-Y222 HydrophobicContact CE1-CE1 3.67Å; F214-Y222 HydrophobicContact CZ-CD1 4.04Å; F214-Y222 AromaticContact CZ-CE1 3.62Å; F214-Y222 HydrophobicContact CZ-CE1 3.62Å; F214-F224 AromaticContact CD1-CE1 3.73Å; F214-F224 HydrophobicContact CD1-CE1 3.73Å; F214-F224 AromaticContact CD1-CZ 3.67Å; F214-F224 HydrophobicContact CD1-CZ 3.67Å; F214-F224 HydrophobicContact CE1-CE1 4.2Å; F214-F224 AromaticContact CE1-CZ 3.91Å; F214-F224 HydrophobicContact CE1-CZ 3.91Å; F214-F224 HydrophobicContact CG-CE1 4.31Å; F214-L287 HydrophobicContact CD1-CD1 4.27Å; F214-L287 HydrophobicContact CE1-CD1 4.11Å; F214-Y292 CarbonylContact O-C 3.56Å; F214-Y292 WeakPolarHBondContact O-CA 3.48Å; F214-T293 PolarHBondContact N-O 3.33Å; F214-T293 PolarHBondContact O-N 3.41Å
215T96Very high93.6Very high58 Ų5846.5 Ų46.536%0.35624%0.239SC..EExtended strand (participates in β ladder)trans-97.1121.9175.1-510000110G206 Q217 Q291G206-T215 WeakPolarHBondContact CA-O 3.31Å; G206-T215 PolarHBondContact O-N 3.32Å; T215-Q217 PolarHBondContact O-N 2.95Å; T215-Q291 WeakPolarHBondContact CA-O 3.45Å
216A94.9Very high94.1Very high0 Ų037.6 Ų37.60%020%0.201CC..  trans-68.6123.8176.200000110.1F214 Y222 L287 G290 Q291F214-A216 HydrophobicContact CE1-CB 4.45Å; A216-Y222 HydrophobicContact CB-CE2 3.93Å; A216-L287 HydrophobicContact CB-CB 3.68Å; A216-L287 HydrophobicContact CB-CD1 3.95Å; A216-L287 HydrophobicContact CB-CG 4.46Å; A216-G290 PolarHBondContact O-N 2.92Å; A216-Q291 PolarHBondContact N-O 2.97Å
217Q92.9Very high94.4Very high93 Ų9339.3 Ų39.344%0.43521%0.208SC..SBendtrans-88.8-17.9174.8-39.4-170.1-18.900111.7E169 K205 T215 V289E169-Q217 WeakPolarHBondContact OE1-CA 3.46Å; E169-Q217 WeakPolarHBondContact OE1-CB 3.18Å; E169-Q217 VanDerWaalsContact OE1-CG 3.29Å; E169-Q217 WeakPolarHBondContact OE1-CG 3.41Å; E169-Q217 PolarHBondContact OE1-N 2.88Å; K205-Q217 VanDerWaalsContact CB-NE2 3.32Å; K205-Q217 PolarHBondContact O-NE2 2.92Å; T215-Q217 PolarHBondContact O-N 2.95Å; Q217-V289 VanDerWaalsContact O-CG2 3.31Å; Q217-V289 WeakPolarHBondContact O-CG2 3.27Å
218I92.3Very high94.6Very high42 Ų4238.6 Ų38.622%0.21521%0.205CC..SBendtrans-126.7145-177.8-52.2174.6000108Q168 Y222 L317 E320Q168-I218 HydrophobicContact CB-CD1 4.28Å; I218-Y222 PolarHBondContact O-OH 3.44Å; I218-L317 HydrophobicContact CD1-CD2 4.26Å; I218-E320 HydrophobicContact CG2-CG 3.63Å; I218-E320 WeakPolarHBondContact CG2-OE1 3.21Å
219T94.9Very high94.7Very high60 Ų6037.9 Ų37.937%0.36820%0.199SC..  trans-80.5132.3173.6-59.40000109.1L287 Q288 V289T219-L287 CarbonylContact C-O 3.57Å; T219-L287 VanDerWaalsContact CA-O 3.25Å; T219-L287 WeakPolarHBondContact CA-O 3.21Å; T219-Q288 HydrophobicContact CG2-CG 4.39Å; T219-V289 PolarHBondContact OG1-N 3.15Å
220G94.5Very high94.8Very high2 Ų234.7 Ų34.72%0.02118%0.184CC..EExtended strand (participates in β ladder)trans168.2-169.6-179.400000114.2Y222 E286 L287 G319G220-Y222 WeakPolarHBondContact O-CD2 3.41Å; G220-E286 WeakPolarHBondContact O-CA 3.47Å; G220-L287 PolarHBondContact N-O 3.04Å; G220-L287 PolarHBondContact O-N 3.37Å; G220-G319 CarbonylContact C-O 3.5Å; G220-G319 VanDerWaalsContact CA-O 3.27Å; G220-G319 WeakPolarHBondContact CA-O 3.27Å
221I95.3Very high94.9Very high83 Ų8332.3 Ų32.343%0.42617%0.166SC..EExtended strand (participates in β ladder)trans-96119-179.9-56.4174.5000109.4L284 L318 G319I221-L284 HydrophobicContact CG2-CB 4.22Å; I221-L284 HydrophobicContact CG2-CD1 4.5Å; I221-L284 HydrophobicContact CG2-CD2 4.37Å; I221-L318 PolarHBondContact O-N 3.45Å; I221-G319 PolarHBondContact N-O 3.37Å
222Y95.4Very high94.7Very high0 Ų030.2 Ų30.20%015%0.153CC..EExtended strand (participates in β ladder)trans-107.7137.6178.4-69.7-96.3000110.5E169 F214 A216 I218 G220 F224 L284 L285 L287 I316 L317E169-Y222 HydrophobicContact CB-CE1 4.31Å; E169-Y222 WeakPolarHBondContact OE2-CE1 3.26Å; E169-Y222 PolarHBondContact OE2-OH 3.23Å; F214-Y222 AromaticContact CE1-CD1 3.81Å; F214-Y222 HydrophobicContact CE1-CD1 3.81Å; F214-Y222 AromaticContact CE1-CE1 3.67Å; F214-Y222 HydrophobicContact CE1-CE1 3.67Å; F214-Y222 HydrophobicContact CZ-CD1 4.04Å; F214-Y222 AromaticContact CZ-CE1 3.62Å; F214-Y222 HydrophobicContact CZ-CE1 3.62Å; A216-Y222 HydrophobicContact CB-CE2 3.93Å; I218-Y222 PolarHBondContact O-OH 3.44Å; G220-Y222 WeakPolarHBondContact O-CD2 3.41Å; Y222-F224 HydrophobicContact CD1-CZ 4.44Å; Y222-F224 HydrophobicContact CG-CE2 4.3Å; Y222-F224 HydrophobicContact CG-CZ 4.27Å; Y222-L284 CarbonylContact O-C 3.48Å; Y222-L284 VanDerWaalsContact O-CA 3.31Å; Y222-L284 WeakPolarHBondContact O-CA 3.44Å; Y222-L285 PolarHBondContact N-O 3.26Å; Y222-L285 PolarHBondContact O-N 3.21Å; Y222-L287 HydrophobicContact CD2-CB 3.73Å; Y222-L287 HydrophobicContact CD2-CD1 3.76Å; Y222-L287 HydrophobicContact CD2-CG 3.86Å; Y222-L287 HydrophobicContact CE2-CB 3.81Å; Y222-L287 HydrophobicContact CE2-CD1 4.19Å; Y222-L287 HydrophobicContact CE2-CG 4.37Å; Y222-L287 HydrophobicContact CG-CD1 3.97Å; Y222-L287 HydrophobicContact CG-CG 4.44Å; Y222-I316 CarbonylContact C-O 3.49Å; Y222-I316 WeakPolarHBondContact CA-O 3.31Å; Y222-L317 HydrophobicContact CD1-CB 4.01Å; Y222-L317 HydrophobicContact CD1-CD1 4.23Å; Y222-L317 HydrophobicContact CD2-CD1 4.15Å; Y222-L317 HydrophobicContact CE1-CB 3.7Å; Y222-L317 HydrophobicContact CE1-CD1 3.86Å; Y222-L317 HydrophobicContact CE1-CG 4.3Å; Y222-L317 HydrophobicContact CE2-CD1 3.77Å; Y222-L317 HydrophobicContact CG-CD1 4.38Å
223Q96.2Very high94.3Very high81 Ų8132.4 Ų32.438%0.37917%0.165SC..EExtended strand (participates in β ladder)trans-97.3124.2168-178.1178.42.300109.3G283 L284 G315 I316 L318Q223-G283 WeakPolarHBondContact CA-O 3.34Å; Q223-L284 HydrophobicContact CB-CD2 3.64Å; Q223-L284 HydrophobicContact CG-CD2 3.98Å; Q223-G315 CarbonylContact O-C 3.49Å; Q223-G315 VanDerWaalsContact O-CA 3.26Å; Q223-G315 WeakPolarHBondContact O-CA 3.43Å; Q223-I316 HydrophobicContact CB-CG2 3.81Å; Q223-I316 PolarHBondContact N-O 3.04Å; Q223-I316 PolarHBondContact O-N 3.15Å; Q223-L318 HydrophobicContact CB-CD1 3.87Å; Q223-L318 HydrophobicContact CB-CD2 4.3Å; Q223-L318 HydrophobicContact CB-CG 3.99Å
224F96.7Very high93.5Very high0 Ų033 Ų330%017%0.171CC..EExtended strand (participates in β ladder)trans-112.5146175-66.7-77.7000110.9F171 F214 Y222 I252 L264 Q282 G283 L285 L287 T293 F313 M314F171-F224 HydrophobicContact CE1-CE1 4.07Å; F171-F224 HydrophobicContact CZ-CD1 4.22Å; F171-F224 HydrophobicContact CZ-CE1 4Å; F214-F224 AromaticContact CD1-CE1 3.73Å; F214-F224 HydrophobicContact CD1-CE1 3.73Å; F214-F224 AromaticContact CD1-CZ 3.67Å; F214-F224 HydrophobicContact CD1-CZ 3.67Å; F214-F224 HydrophobicContact CE1-CE1 4.2Å; F214-F224 AromaticContact CE1-CZ 3.91Å; F214-F224 HydrophobicContact CE1-CZ 3.91Å; F214-F224 HydrophobicContact CG-CE1 4.31Å; Y222-F224 HydrophobicContact CD1-CZ 4.44Å; Y222-F224 HydrophobicContact CG-CE2 4.3Å; Y222-F224 HydrophobicContact CG-CZ 4.27Å; F224-I252 HydrophobicContact CB-CD1 3.9Å; F224-I252 HydrophobicContact CB-CG2 4.39Å; F224-I252 HydrophobicContact CG-CG2 4.38Å; F224-L264 HydrophobicContact CB-CD1 4.2Å; F224-Q282 WeakPolarHBondContact O-CA 3.49Å; F224-G283 PolarHBondContact N-O 3.27Å; F224-G283 PolarHBondContact O-N 2.84Å; F224-L285 HydrophobicContact CD2-CB 4.08Å; F224-L285 HydrophobicContact CD2-CD1 3.9Å; F224-L285 HydrophobicContact CD2-CG 4.26Å; F224-L285 HydrophobicContact CE2-CB 4.08Å; F224-L285 HydrophobicContact CE2-CD1 4.22Å; F224-L287 HydrophobicContact CE2-CD1 3.76Å; F224-L287 HydrophobicContact CE2-CG 4.47Å; F224-L287 HydrophobicContact CZ-CD1 3.6Å; F224-T293 WeakPolarHBondContact CE1-OG1 3.44Å; F224-T293 HydrophobicContact CE2-CG2 4.27Å; F224-T293 HydrophobicContact CZ-CG2 4.2Å; F224-T293 WeakPolarHBondContact CZ-OG1 3.35Å; F224-F313 AromaticContact CD1-CE2 3.88Å; F224-F313 HydrophobicContact CD1-CE2 3.88Å; F224-F313 HydrophobicContact CD1-CZ 4.03Å; F224-F313 HydrophobicContact CE1-CZ 4.34Å; F224-M314 WeakPolarHBondContact CA-O 3.41Å
225S96.4Very high92.6Very high19 Ų1932.9 Ų32.913%0.13317%0.171CC..EExtended strand (participates in β ladder)trans-143.6135171.6175.20000109.9V281 M314S225-V281 CarbonylContact C-O 3.6Å; S225-V281 VanDerWaalsContact CA-O 3.26Å; S225-V281 WeakPolarHBondContact CA-O 3.33Å; S225-M314 PolarHBondContact N-O 3.06Å; S225-M314 PolarHBondContact O-N 3.08Å
226A96.6Very high91.5Very high0 Ų034 Ų340%017%0.171CC..EExtended strand (participates in β ladder)trans-133.5126.1176.500000110.2V228 I252 N280 V281 I295 D312 F313A226-V228 HydrophobicContact CB-CG2 4.45Å; A226-I252 HydrophobicContact CB-CD1 3.98Å; A226-N280 WeakPolarHBondContact O-CA 3.48Å; A226-N280 PolarHBondContact O-OD1 2.78Å; A226-V281 PolarHBondContact N-O 3.35Å; A226-V281 PolarHBondContact O-N 3.08Å; A226-I295 HydrophobicContact CB-CD1 3.72Å; A226-I295 HydrophobicContact CB-CG1 4.22Å; A226-D312 CarbonylContact C-O 3.54Å; A226-D312 VanDerWaalsContact CA-O 3.25Å; A226-D312 WeakPolarHBondContact CA-O 3.34Å; A226-F313 HydrophobicContact CB-CD2 4.34Å
227N96.1Very high90.6Very high41 Ų4143.2 Ų43.222%0.21921%0.205CC..EExtended strand (participates in β ladder)trans-109.1100.6172.8-66.9-46.1000108.6T278 N280 S311 D312N227-T278 HydrophobicContact CB-CG2 4.26Å; N227-N280 PolarHBondContact OD1-OD1 2.97Å; N227-S311 CarbonylContact O-C 3.59Å; N227-S311 WeakPolarHBondContact O-CA 3.48Å; N227-S311 WeakPolarHBondContact O-CB 3.28Å; N227-D312 HydrophobicContact CB-CB 4.13Å; N227-D312 PolarHBondContact N-O 3.35Å; N227-D312 PolarHBondContact O-N 2.92Å
228V96.3Very high89.6Confident1 Ų140.1 Ų40.11%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-100.6117.9-176-1750000109.5L189 A226 I230 V250 T278 V279 I307L189-V228 HydrophobicContact CD1-CG2 4.49Å; A226-V228 HydrophobicContact CB-CG2 4.45Å; V228-I230 HydrophobicContact CG1-CD1 4.41Å; V228-I230 HydrophobicContact CG1-CG1 3.95Å; V228-V250 HydrophobicContact CB-CG1 4.41Å; V228-V250 HydrophobicContact CB-CG2 4.35Å; V228-V250 HydrophobicContact CG2-CG1 3.68Å; V228-V250 HydrophobicContact CG2-CG2 4.48Å; V228-T278 CarbonylContact O-C 3.6Å; V228-T278 WeakPolarHBondContact O-CA 3.2Å; V228-V279 PolarHBondContact N-O 3.07Å; V228-V279 PolarHBondContact O-N 3.37Å; V228-I307 HydrophobicContact CG1-CD1 4.15Å; V228-I307 HydrophobicContact CG1-CG1 4.18Å; V228-I307 HydrophobicContact CG1-CG2 3.68Å
229H95.3Very high88.4Confident51 Ų5144.2 Ų44.224%0.23621%0.21CC..EExtended strand (participates in β ladder)trans-90.1116.4176.8-60.2-52.1000109.7I276 T278 I307 Q308 S311H229-I276 HydrophobicContact CB-CG2 4.23Å; H229-T278 PolarHBondContact CE1-OG1 3.22Å; H229-T278 WeakPolarHBondContact ND1-CG2 3.46Å; H229-T278 PolarHBondContact ND1-OG1 2.87Å; H229-I307 CarbonylContact O-C 3.43Å; H229-I307 WeakPolarHBondContact O-CA 3.33Å; H229-Q308 HydrophobicContact CB-CB 3.96Å; H229-Q308 PolarHBondContact O-N 3.37Å; H229-S311 PolarHBondContact N-OG 3.44Å
230I94.6Very high86.9Confident0 Ų047.1 Ų47.10%023%0.233CC..EExtended strand (participates in β ladder)trans-112.9122.2-174.3-54.3-179.7000109.2V228 V248 V250 I276 F277 V279 I305V228-I230 HydrophobicContact CG1-CD1 4.41Å; V228-I230 HydrophobicContact CG1-CG1 3.95Å; I230-V248 HydrophobicContact CD1-CG1 3.92Å; I230-V250 HydrophobicContact CD1-CG2 4.36Å; I230-I276 VanDerWaalsContact O-CA 3.28Å; I230-I276 WeakPolarHBondContact O-CA 3.15Å; I230-F277 HydrophobicContact CB-CD1 4.4Å; I230-F277 HydrophobicContact CB-CE1 3.88Å; I230-F277 HydrophobicContact CB-CE2 4.17Å; I230-F277 HydrophobicContact CB-CZ 3.75Å; I230-F277 HydrophobicContact CD1-CE2 4.04Å; I230-F277 HydrophobicContact CD1-CZ 4.01Å; I230-F277 HydrophobicContact CG1-CZ 4.41Å; I230-F277 HydrophobicContact CG2-CE1 3.86Å; I230-F277 HydrophobicContact CG2-CZ 3.82Å; I230-F277 PolarHBondContact N-O 3.28Å; I230-F277 PolarHBondContact O-N 3Å; I230-V279 HydrophobicContact CD1-CG2 3.67Å; I230-V279 HydrophobicContact CG1-CG2 4.45Å; I230-I305 HydrophobicContact CG2-CB 4.01Å; I230-I305 HydrophobicContact CG2-CD1 4.02Å; I230-I305 HydrophobicContact CG2-CG1 4.41Å; I230-I305 HydrophobicContact CG2-CG2 4.49Å
231D92.7Very high85.5Confident19 Ų1953 Ų5310%0.10226%0.26CS..EExtended strand (participates in β ladder)trans-93.7116.1168-170.5-22.4000109.1N233 K275 I276 T306 Q308D231-N233 WeakPolarHBondContact OD1-CB 2.96Å; D231-N233 PolarHBondContact OD1-N 2.87Å; D231-K275 WeakPolarHBondContact OD2-CE 3.45Å; D231-I276 HydrophobicContact CB-CG1 4.04Å; D231-T306 PolarHBondContact N-O 3.25Å; D231-T306 PolarHBondContact O-N 2.98Å; D231-Q308 HydrophobicContact CB-CG 4.12Å; D231-Q308 PolarHBondContact OD2-NE2 3.11Å
232H89Confident84.3Confident2 Ų251.5 Ų51.51%0.00925%0.253CS..  trans-113.830.2179.170-67.2000111.7E234 V235 K236 L270 S272 S274 K275 F277 I305H232-E234 VanDerWaalsContact C-N 3.26Å; H232-E234 PolarHBondContact O-N 2.85Å; H232-V235 HydrophobicContact CB-CB 4.05Å; H232-V235 HydrophobicContact CB-CG2 4.2Å; H232-V235 WeakPolarHBondContact O-CB 3.37Å; H232-V235 PolarHBondContact O-N 2.61Å; H232-V235 VanDerWaalsContact O-N 3.15Å; H232-K236 PolarHBondContact O-N 2.91Å; H232-L270 HydrophobicContact CB-CD2 4.06Å; H232-S272 PolarHBondContact NE2-O 3.34Å; H232-S274 PolarHBondContact CE1-O 2.81Å; H232-K275 PolarHBondContact N-O 3.01Å; H232-K275 PolarHBondContact ND1-O 3.48Å; H232-F277 HydrophobicContact CB-CE1 4.16Å; H232-F277 AromaticContact CE1-CD1 3.62Å; H232-F277 AromaticContact CE1-CE1 3.98Å; H232-F277 AromaticContact CG-CE1 3.86Å; H232-F277 AromaticContact ND1-CD1 3.35Å; H232-F277 WeakPolarHBondContact ND1-CD1 3.26Å; H232-F277 AromaticContact ND1-CE1 3.44Å; H232-F277 WeakPolarHBondContact ND1-CE1 3.48Å; H232-I305 HydrophobicContact CB-CG2 4.49Å
233N84.1Confident83.3Confident45 Ų4558.7 Ų58.724%0.24128%0.284CS..Hα-helixtrans-56.8-36.7179.3-18051.6000113.3D231 K236 R237 K275D231-N233 WeakPolarHBondContact OD1-CB 2.96Å; D231-N233 PolarHBondContact OD1-N 2.87Å; N233-K236 PolarHBondContact O-N 3.48Å; N233-R237 PolarHBondContact ND2-NH2 3.07Å; N233-R237 WeakPolarHBondContact O-CG 3.28Å; N233-R237 PolarHBondContact O-N 3.43Å; N233-K275 HydrophobicContact CB-CG 4.3Å
234E77.9Confident82.2Confident93 Ų9360.5 Ų60.544%0.43531%0.312SS..Hα-helixtrans-65-45.2176.2-63.1-165.2152.800111.8H232 K236 R237 S238 S304H232-E234 VanDerWaalsContact C-N 3.26Å; H232-E234 PolarHBondContact O-N 2.85Å; E234-K236 VanDerWaalsContact C-N 3.27Å; E234-K236 PolarHBondContact O-N 3.04Å; E234-R237 WeakPolarHBondContact O-CB 3.25Å; E234-R237 PolarHBondContact O-N 2.86Å; E234-R237 VanDerWaalsContact O-N 3.08Å; E234-S238 PolarHBondContact O-N 2.85Å; E234-S238 PolarHBondContact O-OG 2.86Å; E234-S304 WeakPolarHBondContact OE2-CB 3.25Å; E234-S304 PolarHBondContact OE2-OG 3.41Å
235V75.9Confident81.3Confident1 Ų171.1 Ų71.11%0.00635%0.353CS..Hα-helixtrans-58.3-39.9174.5176.50000111.4H232 S238 K239 L242 L270 A303 I305H232-V235 HydrophobicContact CB-CB 4.05Å; H232-V235 HydrophobicContact CB-CG2 4.2Å; H232-V235 WeakPolarHBondContact O-CB 3.37Å; H232-V235 PolarHBondContact O-N 2.61Å; H232-V235 VanDerWaalsContact O-N 3.15Å; V235-S238 WeakPolarHBondContact CA-OG 3.43Å; V235-S238 CarbonylContact O-C 3.25Å; V235-S238 VanDerWaalsContact O-C 3.25Å; V235-S238 PolarHBondContact O-N 3.12Å; V235-S238 PolarHBondContact O-OG 2.87Å; V235-S238 VanDerWaalsContact O-OG 3.12Å; V235-K239 PolarHBondContact O-N 3.35Å; V235-L242 HydrophobicContact CG1-CD1 3.74Å; V235-L242 HydrophobicContact CG1-CD2 3.15Å; V235-L242 HydrophobicContact CG1-CG 3.63Å; V235-L270 HydrophobicContact CG1-CB 4.17Å; V235-L270 HydrophobicContact CG1-CD1 4.03Å; V235-L270 HydrophobicContact CG2-CD1 4.1Å; V235-A303 HydrophobicContact CG2-CB 3.8Å; V235-I305 HydrophobicContact CG2-CG2 3.93Å
236K74.4Confident80.9Confident82 Ų8271.2 Ų71.236%0.35735%0.352SS..Hα-helixtrans-66.3-36.4175.6-174.9175.6-179.9170.70112.7H232 N233 E234 K239 N273H232-K236 PolarHBondContact O-N 2.91Å; N233-K236 PolarHBondContact O-N 3.48Å; E234-K236 VanDerWaalsContact C-N 3.27Å; E234-K236 PolarHBondContact O-N 3.04Å; K236-K239 WeakPolarHBondContact O-CB 3.42Å; K236-K239 WeakPolarHBondContact O-CG 3.25Å; K236-K239 PolarHBondContact O-N 2.83Å; K236-N273 PolarHBondContact NZ-O 2.87Å
237R75.9Confident80.7Confident192 Ų19273.1 Ų73.173%0.72536%0.362SS*.Hα-helixtrans-68-38.5174-71.1177-176.4163.1-1.1111N233 E234 K239N233-R237 PolarHBondContact ND2-NH2 3.07Å; N233-R237 WeakPolarHBondContact O-CG 3.28Å; N233-R237 PolarHBondContact O-N 3.43Å; E234-R237 WeakPolarHBondContact O-CB 3.25Å; E234-R237 PolarHBondContact O-N 2.86Å; E234-R237 VanDerWaalsContact O-N 3.08Å; R237-K239 PolarHBondContact O-N 3.2Å
238S70.5Confident80.6Confident28 Ų2871.2 Ų71.220%0.19635%0.351CS..THydrogen-bonded Turntrans-86.535.7174.266.40000112.7E234 V235 S240 Q241 L242E234-S238 PolarHBondContact O-N 2.85Å; E234-S238 PolarHBondContact O-OG 2.86Å; V235-S238 WeakPolarHBondContact CA-OG 3.43Å; V235-S238 CarbonylContact O-C 3.25Å; V235-S238 VanDerWaalsContact O-C 3.25Å; V235-S238 PolarHBondContact O-N 3.12Å; V235-S238 PolarHBondContact O-OG 2.87Å; V235-S238 VanDerWaalsContact O-OG 3.12Å; S238-S240 PolarHBondContact O-N 3.02Å; S238-Q241 WeakPolarHBondContact O-CA 3.34Å; S238-Q241 WeakPolarHBondContact O-CB 3.49Å; S238-Q241 PolarHBondContact O-N 3.34Å; S238-L242 PolarHBondContact O-N 3.42Å
239K67.5Low80.5Confident128 Ų12875.2 Ų75.256%0.55737%0.366SS*.THydrogen-bonded Turntrans-51-28.4-178.8-109.4-176.3-178.6-166.10113.8V235 K236 R237 Q241 L242V235-K239 PolarHBondContact O-N 3.35Å; K236-K239 WeakPolarHBondContact O-CB 3.42Å; K236-K239 WeakPolarHBondContact O-CG 3.25Å; K236-K239 PolarHBondContact O-N 2.83Å; R237-K239 PolarHBondContact O-N 3.2Å; K239-Q241 VanDerWaalsContact C-N 3.28Å; K239-Q241 PolarHBondContact O-N 3.08Å; K239-L242 HydrophobicContact CG-CD1 4.3Å
240S64.6Low80.6Confident122 Ų12272.8 Ų72.885%0.85336%0.355SS*.THydrogen-bonded Turntrans-73.2-16.2176.4112.20000114.1S238S238-S240 PolarHBondContact O-N 3.02Å
241Q64.8Low80.7Confident125 Ų12573.3 Ų73.358%0.58436%0.358SS*.THydrogen-bonded Turntrans-100.1-9.7179.5-62.9-173.1-6.200112.9S238 K239 K243S238-Q241 WeakPolarHBondContact O-CA 3.34Å; S238-Q241 WeakPolarHBondContact O-CB 3.49Å; S238-Q241 PolarHBondContact O-N 3.34Å; K239-Q241 VanDerWaalsContact C-N 3.28Å; K239-Q241 PolarHBondContact O-N 3.08Å; Q241-K243 PolarHBondContact O-N 3.13Å
242L69.7Low80.9Confident51 Ų5172.4 Ų72.427%0.26735%0.353SS..  trans-67.4118.6177-86175.9000110.5V235 S238 K239 D246 L270V235-L242 HydrophobicContact CG1-CD1 3.74Å; V235-L242 HydrophobicContact CG1-CD2 3.15Å; V235-L242 HydrophobicContact CG1-CG 3.63Å; S238-L242 PolarHBondContact O-N 3.42Å; K239-L242 HydrophobicContact CG-CD1 4.3Å; L242-D246 WeakPolarHBondContact CA-OD2 3.36Å; L242-D246 HydrophobicContact CD2-CB 4Å; L242-D246 WeakPolarHBondContact CD2-OD2 3.12Å; L242-L270 HydrophobicContact CD2-CB 4.26Å
243K75.1Confident81.2Confident152 Ų15272.3 Ų72.366%0.66135%0.353SS*.  trans-90.5151172.7-61.5-178.5-179.3-178.70109.3Q241 R245 D246Q241-K243 PolarHBondContact O-N 3.13Å; K243-R245 PolarHBondContact O-N 3.03Å; K243-D246 PolarHBondContact N-OD2 2.93Å; K243-D246 WeakPolarHBondContact O-CB 3.32Å; K243-D246 PolarHBondContact O-N 2.95Å
244A71.7Confident81.8Confident118 Ų11870.8 Ų70.898%0.97534%0.344SS*.THydrogen-bonded Turntrans-59.6-6.4173.600000114.2
245R78.1Confident82.5Confident224 Ų22470.4 Ų70.485%0.84534%0.343SS*.THydrogen-bonded Turntrans-108.93.6176.6-63.6-170.3176.8-178.7-0.8113.4K243 N247K243-R245 PolarHBondContact O-N 3.03Å; R245-N247 PolarHBondContact O-N 3.4Å; R245-N247 VanDerWaalsContact O-N 3.12Å; R245-N247 PolarHBondContact O-OD1 2.96Å
246D88.3Confident83.3Confident21 Ų2172.7 Ų72.711%0.11236%0.359CS..  trans-71.4110.1178.2-72.1-5.6000109L242 K243 L270 A301L242-D246 WeakPolarHBondContact CA-OD2 3.36Å; L242-D246 HydrophobicContact CD2-CB 4Å; L242-D246 WeakPolarHBondContact CD2-OD2 3.12Å; K243-D246 PolarHBondContact N-OD2 2.93Å; K243-D246 WeakPolarHBondContact O-CB 3.32Å; K243-D246 PolarHBondContact O-N 2.95Å; D246-L270 PolarHBondContact O-N 3.21Å; D246-A301 HydrophobicContact CB-CB 3.96Å
247N91.9Very high84.2Confident40 Ų4073.1 Ų73.121%0.21436%0.364CS..EExtended strand (participates in β ladder)trans-129.5157.8179.360.8-10.4000110.7R245 I267 V268 A300R245-N247 PolarHBondContact O-N 3.4Å; R245-N247 VanDerWaalsContact O-N 3.12Å; R245-N247 PolarHBondContact O-OD1 2.96Å; N247-I267 HydrophobicContact CB-CG2 3.93Å; N247-I267 VanDerWaalsContact ND2-CG2 3.34Å; N247-I267 WeakPolarHBondContact ND2-CG2 3.26Å; N247-V268 CarbonylContact C-O 3.55Å; N247-V268 VanDerWaalsContact CA-O 3.27Å; N247-V268 WeakPolarHBondContact CA-O 3.32Å; N247-V268 WeakPolarHBondContact CB-O 3.27Å; N247-A300 WeakPolarHBondContact O-CB 3.37Å; N247-A300 PolarHBondContact O-N 3.05Å; N247-A300 VanDerWaalsContact O-N 3.11Å; N247-A300 VanDerWaalsContact OD1-CB 3.25Å; N247-A300 WeakPolarHBondContact OD1-CB 3.44Å
248V94Very high84.9Confident0 Ų065.2 Ų65.20%034%0.338CS..EExtended strand (participates in β ladder)trans-118.6134.4169.7179.90000107.1I230 V268 L270 V297 D298 I305I230-V248 HydrophobicContact CD1-CG1 3.92Å; V248-V268 PolarHBondContact N-O 2.86Å; V248-V268 PolarHBondContact O-N 2.98Å; V248-L270 HydrophobicContact CG2-CD1 3.85Å; V248-L270 HydrophobicContact CG2-CD2 3.66Å; V248-L270 HydrophobicContact CG2-CG 3.84Å; V248-V297 HydrophobicContact CG1-CG1 3.75Å; V248-D298 WeakPolarHBondContact CA-O 3.35Å; V248-I305 HydrophobicContact CB-CD1 4.34Å; V248-I305 HydrophobicContact CG1-CD1 3.67Å; V248-I305 HydrophobicContact CG2-CD1 3.67Å
249R95Very high85.6Confident85 Ų8570.5 Ų70.532%0.32136%0.36SS..EExtended strand (participates in β ladder)trans-112.8128.3175.9-49.2-177.4-99.7-152.7-6.9108.8L251 M266 I267 V297 D298R249-L251 HydrophobicContact CB-CD1 3.93Å; R249-L251 HydrophobicContact CB-CG 4.42Å; R249-M266 WeakPolarHBondContact CA-O 3.41Å; R249-I267 HydrophobicContact CG-CB 4.33Å; R249-I267 HydrophobicContact CG-CD1 4.4Å; R249-I267 HydrophobicContact CG-CG1 3.87Å; R249-I267 HydrophobicContact CG-CG2 4.11Å; R249-V297 WeakPolarHBondContact O-CA 3.37Å; R249-D298 HydrophobicContact CB-CB 4.09Å; R249-D298 IonicContact CZ-OD2 2.71Å; R249-D298 PolarHBondContact N-O 2.76Å; R249-D298 IonicContact NE-OD2 3.52Å; R249-D298 PolarHBondContact NE-OD2 2.84Å; R249-D298 IonicContact NH2-OD2 2.77Å; R249-D298 PolarHBondContact NH2-OD2 3.25Å; R249-D298 PolarHBondContact O-N 2.92Å
250V96.7Very high86.1Confident0 Ų075 Ų750%037%0.373CS..EExtended strand (participates in β ladder)trans-105.5124.7170.7-1770000106.5V228 I230 M266 V279 V281 I295 V297V228-V250 HydrophobicContact CB-CG1 4.41Å; V228-V250 HydrophobicContact CB-CG2 4.35Å; V228-V250 HydrophobicContact CG2-CG1 3.68Å; V228-V250 HydrophobicContact CG2-CG2 4.48Å; I230-V250 HydrophobicContact CD1-CG2 4.36Å; V250-M266 PolarHBondContact N-O 2.81Å; V250-M266 PolarHBondContact O-N 3.4Å; V250-V279 HydrophobicContact CB-CG1 4.08Å; V250-V279 HydrophobicContact CG2-CB 3.95Å; V250-V279 HydrophobicContact CG2-CG1 3.76Å; V250-V279 HydrophobicContact CG2-CG2 4.34Å; V250-V281 HydrophobicContact CB-CG2 3.7Å; V250-V281 HydrophobicContact CG1-CG2 3.64Å; V250-V281 WeakPolarHBondContact O-CG2 3.39Å; V250-I295 HydrophobicContact CG1-CG2 4Å; V250-V297 HydrophobicContact CG1-CG2 4.43Å; V250-V297 HydrophobicContact CG2-CG2 4.3Å
251L96.4Very high87.1Confident11 Ų1179.7 Ų79.76%0.05837%0.374CS..EExtended strand (participates in β ladder)trans-126.4145-174.2-49.8103.7000110.5L186 R249 C253 C258 L264 E265 I295 Y296 D298L186-L251 HydrophobicContact CD1-CD1 4.39Å; R249-L251 HydrophobicContact CB-CD1 3.93Å; R249-L251 HydrophobicContact CB-CG 4.42Å; L251-C253 VanDerWaalsContact CB-SG 3.57Å; L251-C258 HydrophobicContact CD2-CB 4.12Å; L251-L264 CarbonylContact C-O 3.55Å; L251-L264 WeakPolarHBondContact CA-O 3.41Å; L251-E265 HydrophobicContact CD2-CB 3.95Å; L251-E265 HydrophobicContact CG-CB 4.34Å; L251-I295 CarbonylContact O-C 3.58Å; L251-I295 VanDerWaalsContact O-CA 3.31Å; L251-I295 WeakPolarHBondContact O-CA 3.49Å; L251-Y296 PolarHBondContact N-O 3.48Å; L251-Y296 PolarHBondContact O-N 3.15Å; L251-D298 HydrophobicContact CD1-CB 4.13Å
252I96.9Very high88.3Confident0 Ų075.9 Ų75.90%036%0.359CS..EExtended strand (participates in β ladder)trans-115.5113.7167.6-56.1176.6000105.9F224 A226 S263 L264 V281 L285 S294 I295 F313F224-I252 HydrophobicContact CB-CD1 3.9Å; F224-I252 HydrophobicContact CB-CG2 4.39Å; F224-I252 HydrophobicContact CG-CG2 4.38Å; A226-I252 HydrophobicContact CB-CD1 3.98Å; I252-S263 CarbonylContact O-C 3.41Å; I252-S263 WeakPolarHBondContact O-CA 3.2Å; I252-S263 VanDerWaalsContact O-CB 3.29Å; I252-S263 WeakPolarHBondContact O-CB 3.06Å; I252-L264 HydrophobicContact CB-CB 4.25Å; I252-L264 HydrophobicContact CD1-CD1 4.31Å; I252-L264 PolarHBondContact N-O 3.15Å; I252-L264 PolarHBondContact O-N 3.33Å; I252-V281 HydrophobicContact CD1-CB 4.29Å; I252-V281 HydrophobicContact CD1-CG1 3.96Å; I252-V281 HydrophobicContact CG1-CG1 4.11Å; I252-L285 HydrophobicContact CG2-CD1 4.2Å; I252-S294 WeakPolarHBondContact CA-O 3.28Å; I252-I295 HydrophobicContact CG1-CG1 4.26Å; I252-F313 HydrophobicContact CD1-CE2 4.33Å; I252-F313 HydrophobicContact CG2-CE2 4.49Å
253C95.8Very high89.5Confident0 Ų074.4 Ų74.40%035%0.353CS..EExtended strand (participates in β ladder)trans-121.7143-168.2-46.40000111.8L251 C258 T293 S294 Y296L251-C253 VanDerWaalsContact CB-SG 3.57Å; C253-C258 HydrophobicContact CB-CB 4.02Å; C253-C258 WeakPolarHBondContact CB-SG 3.43Å; C253-C258 WeakPolarHBondContact SG-CA 3.27Å; C253-C258 WeakPolarHBondContact SG-CB 3.21Å; C253-C258 CovalentContact SG-SG 2.03Å; C253-C258 PolarHBondContact SG-SG 2.97Å; C253-T293 VanDerWaalsContact O-CA 3.25Å; C253-T293 WeakPolarHBondContact O-CA 3.42Å; C253-S294 PolarHBondContact N-O 3.29Å; C253-S294 PolarHBondContact O-N 3.12Å; C253-Y296 HydrophobicContact CB-CD2 3.84Å; C253-Y296 HydrophobicContact CB-CE2 3.91Å
254I96Very high90.5Very high13 Ų1368.4 Ų68.47%0.06733%0.328CS..EExtended strand (participates in β ladder)trans-82.2128.5171.9-54.3174.9000108.4S256 L257 T262 L285 L287 Q291 Y292 T293I254-S256 PolarHBondContact O-N 2.94Å; I254-S256 VanDerWaalsContact O-N 3.07Å; I254-L257 WeakPolarHBondContact O-CA 3.38Å; I254-L257 WeakPolarHBondContact O-CB 3.39Å; I254-L257 PolarHBondContact O-N 3.48Å; I254-T262 WeakPolarHBondContact CG1-O 3.16Å; I254-T262 PolarHBondContact N-O 3.11Å; I254-L285 HydrophobicContact CD1-CD2 4.42Å; I254-L285 HydrophobicContact CG1-CD1 4.3Å; I254-L287 HydrophobicContact CB-CD2 4.45Å; I254-L287 HydrophobicContact CD1-CD2 3.64Å; I254-L287 HydrophobicContact CG1-CD2 3.61Å; I254-L287 HydrophobicContact CG2-CD2 4.09Å; I254-Q291 HydrophobicContact CG2-CB 4.14Å; I254-Y292 CarbonylContact C-O 3.56Å; I254-Y292 WeakPolarHBondContact CA-O 3.34Å; I254-T293 HydrophobicContact CG1-CG2 3.97Å
255E94.3Very high91.6Very high85 Ų8568.6 Ų68.640%0.39731%0.309SS..THydrogen-bonded Turntrans52.234175.9-66.4-179165.100114.3L257 Y292E255-L257 PolarHBondContact O-N 3.41Å; E255-L257 VanDerWaalsContact O-N 3.08Å; E255-Y292 HydrophobicContact CB-CE1 4.28Å; E255-Y292 HydrophobicContact CG-CD1 4.24Å; E255-Y292 HydrophobicContact CG-CE1 4.16Å; E255-Y292 PolarHBondContact N-O 3.24Å
256S92.6Very high92.4Very high49 Ų4962 Ų6234%0.34329%0.288SS..THydrogen-bonded Turntrans62.38.9-173.6-48.70000114.8I254 C258 Y292 Y296I254-S256 PolarHBondContact O-N 2.94Å; I254-S256 VanDerWaalsContact O-N 3.07Å; S256-C258 PolarHBondContact O-N 3.44Å; S256-Y292 PolarHBondContact OG-OH 3.23Å; S256-Y296 WeakPolarHBondContact CB-OH 3.17Å; S256-Y296 PolarHBondContact OG-OH 3.13Å
257L92.4Very high92.7Very high91 Ų9164.7 Ų64.748%0.47630%0.302SS..BIsolated β-bridgetrans-87.888176.7-60.8174000110.2I254 E255 H259 T262I254-L257 WeakPolarHBondContact O-CA 3.38Å; I254-L257 WeakPolarHBondContact O-CB 3.39Å; I254-L257 PolarHBondContact O-N 3.48Å; E255-L257 PolarHBondContact O-N 3.41Å; E255-L257 VanDerWaalsContact O-N 3.08Å; L257-H259 PolarHBondContact O-N 3.32Å; L257-T262 PolarHBondContact O-OG1 2.56Å
258C90.3Very high92.7Very high26 Ų2664.4 Ų64.418%0.17630%0.301CS..  trans-84.449.2179.6-59.80000113.7L251 C253 S256L251-C258 HydrophobicContact CD2-CB 4.12Å; C253-C258 HydrophobicContact CB-CB 4.02Å; C253-C258 WeakPolarHBondContact CB-SG 3.43Å; C253-C258 WeakPolarHBondContact SG-CA 3.27Å; C253-C258 WeakPolarHBondContact SG-CB 3.21Å; C253-C258 CovalentContact SG-SG 2.03Å; C253-C258 PolarHBondContact SG-SG 2.97Å; S256-C258 PolarHBondContact O-N 3.44Å
259H84.9Confident92.5Very high140 Ų14065.9 Ų65.965%0.64832%0.317SS*.SBendtrans-123.3170.1-176.3-60.965.2000110.3L257 Y261 T262 S263L257-H259 PolarHBondContact O-N 3.32Å; H259-Y261 PolarHBondContact O-N 3.23Å; H259-T262 PolarHBondContact O-N 2.78Å; H259-T262 PolarHBondContact O-OG1 3.48Å; H259-S263 PolarHBondContact O-OG 3.3Å
260R79.8Confident92Very high223 Ų22362.1 Ų62.184%0.84230%0.303SS*.THydrogen-bonded Turntrans-43131.9-171.4-63.3-177.6-165.7171.65112.9T262R260-T262 PolarHBondContact O-N 3.43Å; R260-T262 VanDerWaalsContact O-N 3.16Å
261Y84Confident91.2Very high219 Ų21970.3 Ų70.386%0.85934%0.341SS*.THydrogen-bonded Turntrans68.2-10.1179.5-47.2-73.9000116.8H259H259-Y261 PolarHBondContact O-N 3.23Å
262T91.2Very high90.2Very high46 Ų4671.9 Ų71.928%0.28235%0.353SS..SBendtrans-106.710.2175.962.70000112.7I254 L257 H259 R260I254-T262 WeakPolarHBondContact CG1-O 3.16Å; I254-T262 PolarHBondContact N-O 3.11Å; L257-T262 PolarHBondContact O-OG1 2.56Å; H259-T262 PolarHBondContact O-N 2.78Å; H259-T262 PolarHBondContact O-OG1 3.48Å; R260-T262 PolarHBondContact O-N 3.43Å; R260-T262 VanDerWaalsContact O-N 3.16Å
263S94.6Very high89.1Confident19 Ų1977.9 Ų77.913%0.13339%0.385CS..EExtended strand (participates in β ladder)trans-152.1151.6177.5610000113.8I252 H259I252-S263 CarbonylContact O-C 3.41Å; I252-S263 WeakPolarHBondContact O-CA 3.2Å; I252-S263 VanDerWaalsContact O-CB 3.29Å; I252-S263 WeakPolarHBondContact O-CB 3.06Å; H259-S263 PolarHBondContact O-OG 3.3Å
264L95.3Very high88.5Confident27 Ų2780.1 Ų80.114%0.14140%0.401CS..EExtended strand (participates in β ladder)trans-93.9137.5162.4-56.9172.9000108.4F224 L251 I252 V281 L285F224-L264 HydrophobicContact CB-CD1 4.2Å; L251-L264 CarbonylContact C-O 3.55Å; L251-L264 WeakPolarHBondContact CA-O 3.41Å; I252-L264 HydrophobicContact CB-CB 4.25Å; I252-L264 HydrophobicContact CD1-CD1 4.31Å; I252-L264 PolarHBondContact N-O 3.15Å; I252-L264 PolarHBondContact O-N 3.33Å; L264-V281 HydrophobicContact CB-CG1 3.71Å; L264-L285 HydrophobicContact CD1-CD1 4.19Å; L264-L285 HydrophobicContact CD1-CG 4.09Å; L264-L285 HydrophobicContact CD2-CD2 4.09Å; L264-L285 HydrophobicContact CD2-CG 4.28Å; L264-L285 HydrophobicContact CG-CD1 4.03Å; L264-L285 HydrophobicContact CG-CD2 4Å; L264-L285 HydrophobicContact CG-CG 3.87Å
265E94.9Very high88Confident122 Ų12285.1 Ų85.157%0.5742%0.423SS*.EExtended strand (participates in β ladder)trans-133143.3-179.264.9178.2-177.800111.8L251L251-E265 HydrophobicContact CD2-CB 3.95Å; L251-E265 HydrophobicContact CG-CB 4.34Å
266M95.1Very high87.8Confident84 Ų8484.6 Ų84.641%0.41442%0.421SS..EExtended strand (participates in β ladder)trans-133.3130.3165-176.961-166.100109.1R249 V250 V268 V279 V281R249-M266 WeakPolarHBondContact CA-O 3.41Å; V250-M266 PolarHBondContact N-O 2.81Å; V250-M266 PolarHBondContact O-N 3.4Å; M266-V268 HydrophobicContact CE-CG2 4.01Å; M266-V268 HydrophobicContact CG-CG2 4.02Å; M266-V279 HydrophobicContact CB-CG1 3.99Å; M266-V279 HydrophobicContact CG-CG1 3.68Å; M266-V281 HydrophobicContact CB-CG2 3.58Å
267I93.9Very high87.7Confident79 Ų7983.2 Ų83.241%0.40541%0.41SS..EExtended strand (participates in β ladder)trans-109.1127.3-179.5-51.7-174.7000108.6N247 R249N247-I267 HydrophobicContact CB-CG2 3.93Å; N247-I267 VanDerWaalsContact ND2-CG2 3.34Å; N247-I267 WeakPolarHBondContact ND2-CG2 3.26Å; R249-I267 HydrophobicContact CG-CB 4.33Å; R249-I267 HydrophobicContact CG-CD1 4.4Å; R249-I267 HydrophobicContact CG-CG1 3.87Å; R249-I267 HydrophobicContact CG-CG2 4.11Å
268V92.4Very high87.8Confident33 Ų3382.6 Ų82.620%0.241%0.409CS..EExtended strand (participates in β ladder)trans-130.3136.6-179.2-174.70000110.5N247 V248 M266 F277 V279N247-V268 CarbonylContact C-O 3.55Å; N247-V268 VanDerWaalsContact CA-O 3.27Å; N247-V268 WeakPolarHBondContact CA-O 3.32Å; N247-V268 WeakPolarHBondContact CB-O 3.27Å; V248-V268 PolarHBondContact N-O 2.86Å; V248-V268 PolarHBondContact O-N 2.98Å; M266-V268 HydrophobicContact CE-CG2 4.01Å; M266-V268 HydrophobicContact CG-CG2 4.02Å; V268-F277 HydrophobicContact CB-CE2 4.33Å; V268-F277 HydrophobicContact CG1-CD2 4.16Å; V268-F277 HydrophobicContact CG1-CE2 3.72Å; V268-V279 HydrophobicContact CB-CG2 4.13Å; V268-V279 HydrophobicContact CG1-CG2 4.44Å; V268-V279 HydrophobicContact CG2-CB 4.26Å; V268-V279 HydrophobicContact CG2-CG1 3.64Å; V268-V279 HydrophobicContact CG2-CG2 3.7Å
269G90Very high88.1Confident32 Ų3281.5 Ų81.533%0.3340%0.402SS..EExtended strand (participates in β ladder)trans-80148.4173.600000112.3E271G269-E271 PolarHBondContact O-N 2.94Å
270L84.8Confident88.6Confident5 Ų577.9 Ų77.93%0.02639%0.387CS..SBendtrans-86.219.5-179.4-70.3178.2000114.8H232 V235 L242 D246 V248 S272 F277 A301 I305H232-L270 HydrophobicContact CB-CD2 4.06Å; V235-L270 HydrophobicContact CG1-CB 4.17Å; V235-L270 HydrophobicContact CG1-CD1 4.03Å; V235-L270 HydrophobicContact CG2-CD1 4.1Å; L242-L270 HydrophobicContact CD2-CB 4.26Å; D246-L270 PolarHBondContact O-N 3.21Å; V248-L270 HydrophobicContact CG2-CD1 3.85Å; V248-L270 HydrophobicContact CG2-CD2 3.66Å; V248-L270 HydrophobicContact CG2-CG 3.84Å; L270-S272 PolarHBondContact O-N 3.4Å; L270-F277 HydrophobicContact CD2-CE1 3.75Å; L270-F277 HydrophobicContact CD2-CZ 3.6Å; L270-A301 HydrophobicContact CD1-CB 3.26Å; L270-I305 HydrophobicContact CD1-CG2 4.28Å
271E78.8Confident89.4Confident172 Ų17267.4 Ų67.480%0.80435%0.348SS*.  trans-81.72.9-178.160.1-173.1170.600114.3G269 N273G269-E271 PolarHBondContact O-N 2.94Å; E271-N273 PolarHBondContact O-N 3.29Å
272S75.9Confident90Very high44 Ų4463.3 Ų63.331%0.30834%0.337SS..  trans-60.9137.1179.3-177.20000112.3H232 L270 S274H232-S272 PolarHBondContact NE2-O 3.34Å; L270-S272 PolarHBondContact O-N 3.4Å; S272-S274 VanDerWaalsContact C-N 3.35Å; S272-S274 PolarHBondContact OG-N 3.15Å; S272-S274 PolarHBondContact OG-OG 3.37Å
273N74.9Confident90.2Very high126 Ų12662.1 Ų62.167%0.67433%0.334SS*.SBendtrans-78.9-19.4174.7-74.1-59.1000113.3K236 E271K236-N273 PolarHBondContact NZ-O 2.87Å; E271-N273 PolarHBondContact O-N 3.29Å
274S82.6Confident90.2Very high47 Ų4766 Ų6633%0.32935%0.353SS..SBendtrans-65.5158.5176.9680000110.6H232 S272 I276H232-S274 PolarHBondContact CE1-O 2.81Å; S272-S274 VanDerWaalsContact C-N 3.35Å; S272-S274 PolarHBondContact OG-N 3.15Å; S272-S274 PolarHBondContact OG-OG 3.37Å; S274-I276 VanDerWaalsContact CB-O 3.28Å; S274-I276 WeakPolarHBondContact CB-O 3.38Å; S274-I276 PolarHBondContact OG-O 2.87Å
275K84.4Confident90.2Very high119 Ų11965.2 Ų65.252%0.51735%0.348SS..SBendtrans-75.1-39.8171.9-175-172.8172.3-169.20110.9D231 H232 N233D231-K275 WeakPolarHBondContact OD2-CE 3.45Å; H232-K275 PolarHBondContact N-O 3.01Å; H232-K275 PolarHBondContact ND1-O 3.48Å; N233-K275 HydrophobicContact CB-CG 4.3Å
276I90.3Very high90.2Very high73 Ų7366 Ų6637%0.37435%0.352SS..EExtended strand (participates in β ladder)trans-124.7135.9179.4-58.2168.8000106.9H229 I230 D231 S274 Q308H229-I276 HydrophobicContact CB-CG2 4.23Å; I230-I276 VanDerWaalsContact O-CA 3.28Å; I230-I276 WeakPolarHBondContact O-CA 3.15Å; D231-I276 HydrophobicContact CB-CG1 4.04Å; S274-I276 VanDerWaalsContact CB-O 3.28Å; S274-I276 WeakPolarHBondContact CB-O 3.38Å; S274-I276 PolarHBondContact OG-O 2.87Å; I276-Q308 HydrophobicContact CD1-CG 4.19Å
277F92.3Very high90.2Very high21 Ų2162 Ų629%0.09233%0.332CS..EExtended strand (participates in β ladder)trans-127.9160.3170.167.1-82.9000109.8I230 H232 V268 L270 V279I230-F277 HydrophobicContact CB-CD1 4.4Å; I230-F277 HydrophobicContact CB-CE1 3.88Å; I230-F277 HydrophobicContact CB-CE2 4.17Å; I230-F277 HydrophobicContact CB-CZ 3.75Å; I230-F277 HydrophobicContact CD1-CE2 4.04Å; I230-F277 HydrophobicContact CD1-CZ 4.01Å; I230-F277 HydrophobicContact CG1-CZ 4.41Å; I230-F277 HydrophobicContact CG2-CE1 3.86Å; I230-F277 HydrophobicContact CG2-CZ 3.82Å; I230-F277 PolarHBondContact N-O 3.28Å; I230-F277 PolarHBondContact O-N 3Å; H232-F277 HydrophobicContact CB-CE1 4.16Å; H232-F277 AromaticContact CE1-CD1 3.62Å; H232-F277 AromaticContact CE1-CE1 3.98Å; H232-F277 AromaticContact CG-CE1 3.86Å; H232-F277 AromaticContact ND1-CD1 3.35Å; H232-F277 WeakPolarHBondContact ND1-CD1 3.26Å; H232-F277 AromaticContact ND1-CE1 3.44Å; H232-F277 WeakPolarHBondContact ND1-CE1 3.48Å; V268-F277 HydrophobicContact CB-CE2 4.33Å; V268-F277 HydrophobicContact CG1-CD2 4.16Å; V268-F277 HydrophobicContact CG1-CE2 3.72Å; L270-F277 HydrophobicContact CD2-CE1 3.75Å; L270-F277 HydrophobicContact CD2-CZ 3.6Å; F277-V279 HydrophobicContact CD2-CG2 3.93Å; F277-V279 HydrophobicContact CE2-CG2 3.52Å
278T94.3Very high90.3Very high77 Ų7763.9 Ų63.947%0.47234%0.34SS..EExtended strand (participates in β ladder)trans-113131.6-178.1-52.60000109.6N227 V228 H229N227-T278 HydrophobicContact CB-CG2 4.26Å; V228-T278 CarbonylContact O-C 3.6Å; V228-T278 WeakPolarHBondContact O-CA 3.2Å; H229-T278 PolarHBondContact CE1-OG1 3.22Å; H229-T278 WeakPolarHBondContact ND1-CG2 3.46Å; H229-T278 PolarHBondContact ND1-OG1 2.87Å
279V95.4Very high90.4Very high3 Ų366.9 Ų66.92%0.01836%0.358CS..EExtended strand (participates in β ladder)trans-104.8124170.5-174.40000108.1V228 I230 V250 M266 V268 F277V228-V279 PolarHBondContact N-O 3.07Å; V228-V279 PolarHBondContact O-N 3.37Å; I230-V279 HydrophobicContact CD1-CG2 3.67Å; I230-V279 HydrophobicContact CG1-CG2 4.45Å; V250-V279 HydrophobicContact CB-CG1 4.08Å; V250-V279 HydrophobicContact CG2-CB 3.95Å; V250-V279 HydrophobicContact CG2-CG1 3.76Å; V250-V279 HydrophobicContact CG2-CG2 4.34Å; M266-V279 HydrophobicContact CB-CG1 3.99Å; M266-V279 HydrophobicContact CG-CG1 3.68Å; V268-V279 HydrophobicContact CB-CG2 4.13Å; V268-V279 HydrophobicContact CG1-CG2 4.44Å; V268-V279 HydrophobicContact CG2-CB 4.26Å; V268-V279 HydrophobicContact CG2-CG1 3.64Å; V268-V279 HydrophobicContact CG2-CG2 3.7Å; F277-V279 HydrophobicContact CD2-CG2 3.93Å; F277-V279 HydrophobicContact CE2-CG2 3.52Å
280N96.1Very high90.6Very high64 Ų6467.7 Ų67.734%0.34237%0.366SS..EExtended strand (participates in β ladder)trans-103.8124.7173.9178.233.9000109.3A226 N227A226-N280 WeakPolarHBondContact O-CA 3.48Å; A226-N280 PolarHBondContact O-OD1 2.78Å; N227-N280 PolarHBondContact OD1-OD1 2.97Å
281V96.3Very high91.1Very high4 Ų469 Ų692%0.02437%0.372CS..EExtended strand (participates in β ladder)trans-113.6125.6168.8-176.70000106.9S225 A226 V250 I252 L264 M266S225-V281 CarbonylContact C-O 3.6Å; S225-V281 VanDerWaalsContact CA-O 3.26Å; S225-V281 WeakPolarHBondContact CA-O 3.33Å; A226-V281 PolarHBondContact N-O 3.35Å; A226-V281 PolarHBondContact O-N 3.08Å; V250-V281 HydrophobicContact CB-CG2 3.7Å; V250-V281 HydrophobicContact CG1-CG2 3.64Å; V250-V281 WeakPolarHBondContact O-CG2 3.39Å; I252-V281 HydrophobicContact CD1-CB 4.29Å; I252-V281 HydrophobicContact CD1-CG1 3.96Å; I252-V281 HydrophobicContact CG1-CG1 4.11Å; L264-V281 HydrophobicContact CB-CG1 3.71Å; M266-V281 HydrophobicContact CB-CG2 3.58Å
282Q96.1Very high91.9Very high133 Ų13363.4 Ų63.462%0.62134%0.344SS*.EExtended strand (participates in β ladder)trans-143.3145.4176.466.4-1799.600110.4F224F224-Q282 WeakPolarHBondContact O-CA 3.49Å
283G95.5Very high92.9Very high21 Ų2161.3 Ų61.322%0.21633%0.329CS..EExtended strand (participates in β ladder)trans172.8-175.4178.600000112.9Q223 F224Q223-G283 WeakPolarHBondContact CA-O 3.34Å; F224-G283 PolarHBondContact N-O 3.27Å; F224-G283 PolarHBondContact O-N 2.84Å
284L95.3Very high93.9Very high101 Ų10155.3 Ų55.353%0.52930%0.297SS..EExtended strand (participates in β ladder)trans-109.5138.1178.5-59176.8000109.1I221 Y222 Q223 L318I221-L284 HydrophobicContact CG2-CB 4.22Å; I221-L284 HydrophobicContact CG2-CD1 4.5Å; I221-L284 HydrophobicContact CG2-CD2 4.37Å; Y222-L284 CarbonylContact O-C 3.48Å; Y222-L284 VanDerWaalsContact O-CA 3.31Å; Y222-L284 WeakPolarHBondContact O-CA 3.44Å; Q223-L284 HydrophobicContact CB-CD2 3.64Å; Q223-L284 HydrophobicContact CG-CD2 3.98Å; L284-L318 HydrophobicContact CD2-CD1 3.55Å
285L95Very high94.6Very high9 Ų953.1 Ų53.15%0.04728%0.282CS..EExtended strand (participates in β ladder)trans-131.8133.9171.5-69.1175000108.6Y222 F224 I252 I254 L264 T293Y222-L285 PolarHBondContact N-O 3.26Å; Y222-L285 PolarHBondContact O-N 3.21Å; F224-L285 HydrophobicContact CD2-CB 4.08Å; F224-L285 HydrophobicContact CD2-CD1 3.9Å; F224-L285 HydrophobicContact CD2-CG 4.26Å; F224-L285 HydrophobicContact CE2-CB 4.08Å; F224-L285 HydrophobicContact CE2-CD1 4.22Å; I252-L285 HydrophobicContact CG2-CD1 4.2Å; I254-L285 HydrophobicContact CD1-CD2 4.42Å; I254-L285 HydrophobicContact CG1-CD1 4.3Å; L264-L285 HydrophobicContact CD1-CD1 4.19Å; L264-L285 HydrophobicContact CD1-CG 4.09Å; L264-L285 HydrophobicContact CD2-CD2 4.09Å; L264-L285 HydrophobicContact CD2-CG 4.28Å; L264-L285 HydrophobicContact CG-CD1 4.03Å; L264-L285 HydrophobicContact CG-CD2 4Å; L264-L285 HydrophobicContact CG-CG 3.87Å; L285-T293 HydrophobicContact CD1-CG2 4.49Å
286E94.7Very high95.1Very high139 Ų13948.2 Ų48.265%0.6526%0.26SS*.EExtended strand (participates in β ladder)trans-82.6126.9167.8-173.1-179.6177.800108.2G220G220-E286 WeakPolarHBondContact O-CA 3.47Å
287L95.1Very high95.4Very high0 Ų044.7 Ų44.70%024%0.242CC..EExtended strand (participates in β ladder)trans-121.6139.6178.3-61.6177.7000109.8F214 A216 T219 G220 Y222 F224 I254 T293F214-L287 HydrophobicContact CD1-CD1 4.27Å; F214-L287 HydrophobicContact CE1-CD1 4.11Å; A216-L287 HydrophobicContact CB-CB 3.68Å; A216-L287 HydrophobicContact CB-CD1 3.95Å; A216-L287 HydrophobicContact CB-CG 4.46Å; T219-L287 CarbonylContact C-O 3.57Å; T219-L287 VanDerWaalsContact CA-O 3.25Å; T219-L287 WeakPolarHBondContact CA-O 3.21Å; G220-L287 PolarHBondContact N-O 3.04Å; G220-L287 PolarHBondContact O-N 3.37Å; Y222-L287 HydrophobicContact CD2-CB 3.73Å; Y222-L287 HydrophobicContact CD2-CD1 3.76Å; Y222-L287 HydrophobicContact CD2-CG 3.86Å; Y222-L287 HydrophobicContact CE2-CB 3.81Å; Y222-L287 HydrophobicContact CE2-CD1 4.19Å; Y222-L287 HydrophobicContact CE2-CG 4.37Å; Y222-L287 HydrophobicContact CG-CD1 3.97Å; Y222-L287 HydrophobicContact CG-CG 4.44Å; F224-L287 HydrophobicContact CE2-CD1 3.76Å; F224-L287 HydrophobicContact CE2-CG 4.47Å; F224-L287 HydrophobicContact CZ-CD1 3.6Å; I254-L287 HydrophobicContact CB-CD2 4.45Å; I254-L287 HydrophobicContact CD1-CD2 3.64Å; I254-L287 HydrophobicContact CG1-CD2 3.61Å; I254-L287 HydrophobicContact CG2-CD2 4.09Å; L287-T293 HydrophobicContact CD1-CG2 3.75Å; L287-T293 HydrophobicContact CD2-CG2 3.49Å; L287-T293 VanDerWaalsContact CD2-CG2 3.49Å; L287-T293 HydrophobicContact CG-CG2 4.27Å
288Q95.5Very high95.6Very high119 Ų11945 Ų4556%0.55624%0.244SC*.  trans-90157.4168-59.2179.99.600110.5T219 G290 Q291T219-Q288 HydrophobicContact CG2-CG 4.39Å; Q288-G290 PolarHBondContact O-N 2.78Å; Q288-Q291 HydrophobicContact CB-CG 4.02Å; Q288-Q291 WeakPolarHBondContact O-CB 3.49Å; Q288-Q291 PolarHBondContact O-N 3.46Å
289V95.1Very high95.6Very high96 Ų9641.3 Ų41.358%0.58222%0.222SC*.THydrogen-bonded Turntrans-55129175.960.40000111.1Q217 T219 Q291Q217-V289 VanDerWaalsContact O-CG2 3.31Å; Q217-V289 WeakPolarHBondContact O-CG2 3.27Å; T219-V289 PolarHBondContact OG1-N 3.15Å; V289-Q291 VanDerWaalsContact C-N 3.31Å; V289-Q291 PolarHBondContact O-N 3.34Å
290G94.4Very high95.4Very high48 Ų4842.7 Ų42.750%0.49523%0.233SC..THydrogen-bonded Turntrans86.4-10.4-179.500000115A216 Q288A216-G290 PolarHBondContact O-N 2.92Å; Q288-G290 PolarHBondContact O-N 2.78Å
291Q95.7Very high95.1Very high34 Ų3439.7 Ų39.716%0.15922%0.217CC..  trans-72140.6172.3-64.8-168.5-52.600110.4T215 A216 I254 Q288 V289T215-Q291 WeakPolarHBondContact CA-O 3.45Å; A216-Q291 PolarHBondContact N-O 2.97Å; I254-Q291 HydrophobicContact CG2-CB 4.14Å; Q288-Q291 HydrophobicContact CB-CG 4.02Å; Q288-Q291 WeakPolarHBondContact O-CB 3.49Å; Q288-Q291 PolarHBondContact O-N 3.46Å; V289-Q291 VanDerWaalsContact C-N 3.31Å; V289-Q291 PolarHBondContact O-N 3.34Å
292Y95.3Very high94.6Very high54 Ų5440.8 Ų40.821%0.21223%0.229CC..EExtended strand (participates in β ladder)trans-109.3148.4175.873.6-91.9000112.3R213 F214 I254 E255 S256R213-Y292 HydrophobicContact CB-CD2 4.31Å; R213-Y292 HydrophobicContact CG-CD2 4.08Å; F214-Y292 CarbonylContact O-C 3.56Å; F214-Y292 WeakPolarHBondContact O-CA 3.48Å; I254-Y292 CarbonylContact C-O 3.56Å; I254-Y292 WeakPolarHBondContact CA-O 3.34Å; E255-Y292 HydrophobicContact CB-CE1 4.28Å; E255-Y292 HydrophobicContact CG-CD1 4.24Å; E255-Y292 HydrophobicContact CG-CE1 4.16Å; E255-Y292 PolarHBondContact N-O 3.24Å; S256-Y292 PolarHBondContact OG-OH 3.23Å
293T96.1Very high94.2Very high0 Ų035.1 Ų35.10%021%0.206CC..EExtended strand (participates in β ladder)trans-119.7146.5169.260.50000111.3R213 F214 F224 C253 I254 L285 L287R213-T293 WeakPolarHBondContact CA-O 3.43Å; F214-T293 PolarHBondContact N-O 3.33Å; F214-T293 PolarHBondContact O-N 3.41Å; F224-T293 WeakPolarHBondContact CE1-OG1 3.44Å; F224-T293 HydrophobicContact CE2-CG2 4.27Å; F224-T293 HydrophobicContact CZ-CG2 4.2Å; F224-T293 WeakPolarHBondContact CZ-OG1 3.35Å; C253-T293 VanDerWaalsContact O-CA 3.25Å; C253-T293 WeakPolarHBondContact O-CA 3.42Å; I254-T293 HydrophobicContact CG1-CG2 3.97Å; L285-T293 HydrophobicContact CD1-CG2 4.49Å; L287-T293 HydrophobicContact CD1-CG2 3.75Å; L287-T293 HydrophobicContact CD2-CG2 3.49Å; L287-T293 VanDerWaalsContact CD2-CG2 3.49Å; L287-T293 HydrophobicContact CG-CG2 4.27Å
294S96.1Very high94Very high0 Ų035.5 Ų35.50%021%0.205CC..EExtended strand (participates in β ladder)trans-147164.8172.5-164.70000111.3E188 G212 I252 C253 Y296E188-S294 WeakPolarHBondContact OE1-CB 3.25Å; E188-S294 PolarHBondContact OE1-OG 3.1Å; G212-S294 PolarHBondContact O-OG 3.31Å; I252-S294 WeakPolarHBondContact CA-O 3.28Å; C253-S294 PolarHBondContact N-O 3.29Å; C253-S294 PolarHBondContact O-N 3.12Å; S294-Y296 WeakPolarHBondContact O-CD2 3.36Å
295I96.8Very high94Very high1 Ų130.7 Ų30.71%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-90.4128.4175.9-59164.3000109L189 F192 A226 V250 L251 I252 V297 F313L189-I295 HydrophobicContact CB-CB 4.36Å; L189-I295 HydrophobicContact CD1-CB 4.15Å; L189-I295 HydrophobicContact CD1-CG2 3.65Å; L189-I295 HydrophobicContact CG-CB 4.26Å; L189-I295 HydrophobicContact CG-CG2 4.02Å; L189-I295 PolarHBondContact N-O 2.94Å; F192-I295 HydrophobicContact CZ-CD1 4.04Å; A226-I295 HydrophobicContact CB-CD1 3.72Å; A226-I295 HydrophobicContact CB-CG1 4.22Å; V250-I295 HydrophobicContact CG1-CG2 4Å; L251-I295 CarbonylContact O-C 3.58Å; L251-I295 VanDerWaalsContact O-CA 3.31Å; L251-I295 WeakPolarHBondContact O-CA 3.49Å; I252-I295 HydrophobicContact CG1-CG1 4.26Å; I295-V297 HydrophobicContact CG2-CG2 4.48Å; I295-F313 HydrophobicContact CD1-CB 3.5Å; I295-F313 VanDerWaalsContact CD1-CB 3.5Å; I295-F313 HydrophobicContact CD1-CD1 3.95Å; I295-F313 HydrophobicContact CD1-CD2 3.43Å; I295-F313 VanDerWaalsContact CD1-CD2 3.43Å; I295-F313 HydrophobicContact CD1-CE2 4.1Å; I295-F313 HydrophobicContact CD1-CG 3.34Å; I295-F313 HydrophobicContact CG1-CD1 4.35Å; I295-F313 HydrophobicContact CG1-CD2 3.83Å; I295-F313 HydrophobicContact CG1-CE1 4.49Å; I295-F313 HydrophobicContact CG1-CE2 3.97Å; I295-F313 HydrophobicContact CG1-CG 4.04Å; I295-F313 HydrophobicContact CG1-CZ 4.3Å
296Y96Very high93.9Very high15 Ų1531.8 Ų31.86%0.05919%0.187CC..EExtended strand (participates in β ladder)trans-115.8143172.3-62.6-92.3000110L186 V187 E188 L251 C253 S256 S294L186-Y296 HydrophobicContact CG-CD1 4.46Å; V187-Y296 CarbonylContact O-C 3.53Å; V187-Y296 WeakPolarHBondContact O-CA 3.35Å; E188-Y296 HydrophobicContact CB-CD1 3.86Å; E188-Y296 HydrophobicContact CB-CE1 3.53Å; E188-Y296 HydrophobicContact CG-CD1 4.24Å; E188-Y296 HydrophobicContact CG-CE1 3.66Å; E188-Y296 PolarHBondContact OE1-OH 2.94Å; L251-Y296 PolarHBondContact N-O 3.48Å; L251-Y296 PolarHBondContact O-N 3.15Å; C253-Y296 HydrophobicContact CB-CD2 3.84Å; C253-Y296 HydrophobicContact CB-CE2 3.91Å; S256-Y296 WeakPolarHBondContact CB-OH 3.17Å; S256-Y296 PolarHBondContact OG-OH 3.13Å; S294-Y296 WeakPolarHBondContact O-CD2 3.36Å
297V96.6Very high94Very high0 Ų025.1 Ų25.10%016%0.156CC..EExtended strand (participates in β ladder)trans-121.5116.2173.8-179.70000109V181 L186 V187 L189 V248 R249 V250 I295 I305 I307V181-V297 HydrophobicContact CG2-CG1 4.48Å; L186-V297 WeakPolarHBondContact CA-O 3.25Å; V187-V297 PolarHBondContact N-O 2.9Å; V187-V297 PolarHBondContact O-N 2.89Å; L189-V297 HydrophobicContact CD1-CG2 4.07Å; L189-V297 HydrophobicContact CD2-CG2 4.03Å; L189-V297 HydrophobicContact CG-CG2 4.15Å; V248-V297 HydrophobicContact CG1-CG1 3.75Å; R249-V297 WeakPolarHBondContact O-CA 3.37Å; V250-V297 HydrophobicContact CG1-CG2 4.43Å; V250-V297 HydrophobicContact CG2-CG2 4.3Å; I295-V297 HydrophobicContact CG2-CG2 4.48Å; V297-I305 HydrophobicContact CG1-CD1 4.2Å; V297-I307 HydrophobicContact CB-CD1 3.96Å; V297-I307 HydrophobicContact CG1-CD1 4.09Å; V297-I307 HydrophobicContact CG2-CD1 3.56Å
298D95.5Very high94Very high27 Ų2727.5 Ų27.514%0.14417%0.167CC..EExtended strand (participates in β ladder)trans-96.8109.5174.7-178.821.1000109.2L186 V248 R249 L251L186-D298 HydrophobicContact CD1-CB 3.67Å; V248-D298 WeakPolarHBondContact CA-O 3.35Å; R249-D298 HydrophobicContact CB-CB 4.09Å; R249-D298 IonicContact CZ-OD2 2.71Å; R249-D298 PolarHBondContact N-O 2.76Å; R249-D298 IonicContact NE-OD2 3.52Å; R249-D298 PolarHBondContact NE-OD2 2.84Å; R249-D298 IonicContact NH2-OD2 2.77Å; R249-D298 PolarHBondContact NH2-OD2 3.25Å; R249-D298 PolarHBondContact O-N 2.92Å; L251-D298 HydrophobicContact CD1-CB 4.13Å
299N94.9Very high93.9Very high0 Ų024.7 Ų24.70%016%0.16CC..EExtended strand (participates in β ladder)trans-92.995.6173.9178.814.6000109.6V181 D182 K184 T185 A301 A303 I305V181-N299 HydrophobicContact CG1-CB 3.64Å; V181-N299 PolarHBondContact O-ND2 3.19Å; D182-N299 PolarHBondContact O-ND2 2.94Å; K184-N299 CarbonylContact C-O 3.56Å; K184-N299 WeakPolarHBondContact CA-O 3.36Å; K184-N299 PolarHBondContact N-O 2.83Å; T185-N299 PolarHBondContact N-O 2.81Å; T185-N299 PolarHBondContact O-N 2.8Å; N299-A301 PolarHBondContact O-N 3.21Å; N299-A301 WeakPolarHBondContact OD1-CB 3.45Å; N299-A301 PolarHBondContact OD1-N 3.18Å; N299-A303 PolarHBondContact ND2-O 3.47Å; N299-I305 HydrophobicContact CB-CD1 4.02Å; N299-I305 HydrophobicContact CB-CG1 4.31Å
300A92.1Very high93.6Very high31 Ų3121.1 Ų21.126%0.25614%0.143SC..  trans-83.3-0175.800000113.4N247N247-A300 WeakPolarHBondContact O-CB 3.37Å; N247-A300 PolarHBondContact O-N 3.05Å; N247-A300 VanDerWaalsContact O-N 3.11Å; N247-A300 VanDerWaalsContact OD1-CB 3.25Å; N247-A300 WeakPolarHBondContact OD1-CB 3.44Å
301A88.7Confident93.7Very high1 Ų119 Ų191%0.00812%0.12CC..SBendtrans-76164.4-177.500000113.4K183 K184 D246 L270 N299 A303K183-A301 WeakPolarHBondContact CB-O 3.43Å; K184-A301 PolarHBondContact N-O 2.71Å; D246-A301 HydrophobicContact CB-CB 3.96Å; L270-A301 HydrophobicContact CD1-CB 3.26Å; N299-A301 PolarHBondContact O-N 3.21Å; N299-A301 WeakPolarHBondContact OD1-CB 3.45Å; N299-A301 PolarHBondContact OD1-N 3.18Å; A301-A303 VanDerWaalsContact C-N 3.26Å; A301-A303 PolarHBondContact O-N 2.95Å
302G85.9Confident93.6Very high27 Ų2718.2 Ų18.228%0.27812%0.117SC..SBendtrans-73.7-8.9178.300000115.7K183K183-G302 VanDerWaalsContact CD-O 3.26Å; K183-G302 WeakPolarHBondContact CD-O 3.1Å
303A88.2Confident93.6Very high15 Ų1515.6 Ų15.612%0.12411%0.107CC..SBendtrans-134.3160.9-177.200000111.5V235 N299 A301V235-A303 HydrophobicContact CG2-CB 3.8Å; N299-A303 PolarHBondContact ND2-O 3.47Å; A301-A303 VanDerWaalsContact C-N 3.26Å; A301-A303 PolarHBondContact O-N 2.95Å
304S91.9Very high93.5Very high28 Ų2818 Ų1820%0.19612%0.119CC..  trans-66.4146.4176.225.80000111.6V181 E234V181-S304 WeakPolarHBondContact O-CA 3.42Å; E234-S304 WeakPolarHBondContact OE2-CB 3.25Å; E234-S304 PolarHBondContact OE2-OG 3.41Å
305I93.5Very high93.5Very high0 Ų018.1 Ų18.10%012%0.12CC..EExtended strand (participates in β ladder)trans-121.1152.6171.964.3178.8000108.8V181 I230 H232 V235 V248 L270 V297 N299V181-I305 HydrophobicContact CB-CD1 4.41Å; V181-I305 HydrophobicContact CB-CG1 3.83Å; V181-I305 PolarHBondContact N-O 2.84Å; V181-I305 PolarHBondContact O-N 3.22Å; I230-I305 HydrophobicContact CG2-CB 4.01Å; I230-I305 HydrophobicContact CG2-CD1 4.02Å; I230-I305 HydrophobicContact CG2-CG1 4.41Å; I230-I305 HydrophobicContact CG2-CG2 4.49Å; H232-I305 HydrophobicContact CB-CG2 4.49Å; V235-I305 HydrophobicContact CG2-CG2 3.93Å; V248-I305 HydrophobicContact CB-CD1 4.34Å; V248-I305 HydrophobicContact CG1-CD1 3.67Å; V248-I305 HydrophobicContact CG2-CD1 3.67Å; L270-I305 HydrophobicContact CD1-CG2 4.28Å; V297-I305 HydrophobicContact CG1-CD1 4.2Å; N299-I305 HydrophobicContact CB-CD1 4.02Å; N299-I305 HydrophobicContact CB-CG1 4.31Å
306T94.9Very high93.4Very high32 Ų3220.3 Ų20.320%0.19613%0.131CC..EExtended strand (participates in β ladder)trans-117123.3176.1-56.50000109.8P178 V180 D231P178-T306 HydrophobicContact CB-CG2 3.91Å; V180-T306 HydrophobicContact CG2-CG2 4.36Å; D231-T306 PolarHBondContact N-O 3.25Å; D231-T306 PolarHBondContact O-N 2.98Å
307I96Very high93.3Very high0 Ų020.2 Ų20.20%013%0.132CC..EExtended strand (participates in β ladder)trans-81.9126.8171.2-59.9173.6000107.8L175 P178 V179 V181 L189 V228 H229 V297L175-I307 HydrophobicContact CD2-CB 4.48Å; L175-I307 HydrophobicContact CD2-CG2 3.72Å; P178-I307 CarbonylContact C-O 3.57Å; P178-I307 WeakPolarHBondContact CA-O 3.38Å; V179-I307 HydrophobicContact CB-CB 4.45Å; V179-I307 PolarHBondContact N-O 3.46Å; V179-I307 PolarHBondContact O-N 2.89Å; V181-I307 HydrophobicContact CG2-CD1 3.85Å; V181-I307 HydrophobicContact CG2-CG1 4.27Å; L189-I307 HydrophobicContact CD1-CD1 4.08Å; L189-I307 HydrophobicContact CD2-CD1 3.34Å; L189-I307 HydrophobicContact CG-CD1 4.33Å; V228-I307 HydrophobicContact CG1-CD1 4.15Å; V228-I307 HydrophobicContact CG1-CG1 4.18Å; V228-I307 HydrophobicContact CG1-CG2 3.68Å; H229-I307 CarbonylContact O-C 3.43Å; H229-I307 WeakPolarHBondContact O-CA 3.33Å; V297-I307 HydrophobicContact CB-CD1 3.96Å; V297-I307 HydrophobicContact CG1-CD1 4.09Å; V297-I307 HydrophobicContact CG2-CD1 3.56Å
308Q95Very high93.1Very high50 Ų5024.4 Ų24.423%0.23415%0.154CC..PPolyproline II helixtrans-81149.7-175.6-70.9-70.5-15.900111.7H229 D231 I276 S311H229-Q308 HydrophobicContact CB-CB 3.96Å; H229-Q308 PolarHBondContact O-N 3.37Å; D231-Q308 HydrophobicContact CB-CG 4.12Å; D231-Q308 PolarHBondContact OD2-NE2 3.11Å; I276-Q308 HydrophobicContact CD1-CG 4.19Å; Q308-S311 PolarHBondContact O-N 2.99Å; Q308-S311 PolarHBondContact O-OG 3.15Å
309S93.2Very high92.7Very high59 Ų5924.2 Ų24.241%0.41316%0.158SC..THydrogen-bonded Turntrans-58.7145168.557.50000110.3
310G89.9Confident92.2Very high22 Ų2231.3 Ų31.323%0.22719%0.192CC..THydrogen-bonded Turntrans91.6-2.2-177.500000115K174 L175 D312K174-G310 PolarHBondContact NZ-O 3.41Å; L175-G310 PolarHBondContact O-N 3.03Å; L175-G310 VanDerWaalsContact O-N 3.07Å; G310-D312 PolarHBondContact O-N 3.38Å
311S95.3Very high92.2Very high2 Ų231.4 Ų31.41%0.01419%0.188CC..  trans-56.7131.5165.8-62.50000110.1K174 L175 N227 H229 Q308K174-S311 CarbonylContact C-O 3.5Å; K174-S311 VanDerWaalsContact CA-O 3.28Å; K174-S311 WeakPolarHBondContact CA-O 3.41Å; L175-S311 PolarHBondContact N-O 3.41Å; N227-S311 CarbonylContact O-C 3.59Å; N227-S311 WeakPolarHBondContact O-CA 3.48Å; N227-S311 WeakPolarHBondContact O-CB 3.28Å; H229-S311 PolarHBondContact N-OG 3.44Å; Q308-S311 PolarHBondContact O-N 2.99Å; Q308-S311 PolarHBondContact O-OG 3.15Å
312D94.1Very high92.4Very high18 Ų1832.9 Ų32.910%0.09620%0.198CC..EExtended strand (participates in β ladder)trans-96.8141.8-171.3-53.1-67.4000111.6H172 K174 A226 N227 G310 M314H172-D312 IonicContact NE2-OD1 3.64Å; K174-D312 WeakPolarHBondContact CE-OD1 3.24Å; K174-D312 WeakPolarHBondContact CG-OD1 3.4Å; K174-D312 IonicContact NZ-OD1 2.61Å; K174-D312 PolarHBondContact NZ-OD1 2.77Å; K174-D312 IonicContact NZ-OD2 3.76Å; A226-D312 CarbonylContact C-O 3.54Å; A226-D312 VanDerWaalsContact CA-O 3.25Å; A226-D312 WeakPolarHBondContact CA-O 3.34Å; N227-D312 HydrophobicContact CB-CB 4.13Å; N227-D312 PolarHBondContact N-O 3.35Å; N227-D312 PolarHBondContact O-N 2.92Å; G310-D312 PolarHBondContact O-N 3.38Å; D312-M314 HydrophobicContact CB-CE 4.34Å
313F95.2Very high92.8Very high0 Ų033.3 Ų33.30%019%0.193CC..EExtended strand (participates in β ladder)trans-129.7124.6164.7-175.7-147.8000109.6F171 C173 F192 M207 F224 A226 I252 I295F171-F313 AromaticContact CE2-CD1 3.54Å; F171-F313 HydrophobicContact CE2-CD1 3.54Å; F171-F313 HydrophobicContact CE2-CD2 4.22Å; F171-F313 AromaticContact CE2-CE1 3.62Å; F171-F313 HydrophobicContact CE2-CE1 3.62Å; F171-F313 HydrophobicContact CE2-CE2 4.3Å; F171-F313 AromaticContact CE2-CG 3.85Å; F171-F313 HydrophobicContact CE2-CG 3.85Å; F171-F313 HydrophobicContact CE2-CZ 4.02Å; F171-F313 HydrophobicContact CZ-CD1 4.07Å; F171-F313 HydrophobicContact CZ-CD2 4.49Å; F171-F313 AromaticContact CZ-CE1 3.65Å; F171-F313 HydrophobicContact CZ-CE1 3.65Å; F171-F313 HydrophobicContact CZ-CE2 4.13Å; F171-F313 HydrophobicContact CZ-CG 4.47Å; F171-F313 AromaticContact CZ-CZ 3.69Å; F171-F313 HydrophobicContact CZ-CZ 3.69Å; C173-F313 PolarHBondContact N-O 2.8Å; C173-F313 PolarHBondContact O-N 2.95Å; F192-F313 HydrophobicContact CD1-CB 4.31Å; F192-F313 HydrophobicContact CE1-CB 3.78Å; F192-F313 HydrophobicContact CZ-CB 4.24Å; M207-F313 HydrophobicContact CE-CD1 3.89Å; M207-F313 HydrophobicContact CE-CE1 4.17Å; M207-F313 HydrophobicContact SD-CD1 4.34Å; M207-F313 HydrophobicContact SD-CE1 4.16Å; F224-F313 AromaticContact CD1-CE2 3.88Å; F224-F313 HydrophobicContact CD1-CE2 3.88Å; F224-F313 HydrophobicContact CD1-CZ 4.03Å; F224-F313 HydrophobicContact CE1-CZ 4.34Å; A226-F313 HydrophobicContact CB-CD2 4.34Å; I252-F313 HydrophobicContact CD1-CE2 4.33Å; I252-F313 HydrophobicContact CG2-CE2 4.49Å; I295-F313 HydrophobicContact CD1-CB 3.5Å; I295-F313 VanDerWaalsContact CD1-CB 3.5Å; I295-F313 HydrophobicContact CD1-CD1 3.95Å; I295-F313 HydrophobicContact CD1-CD2 3.43Å; I295-F313 VanDerWaalsContact CD1-CD2 3.43Å; I295-F313 HydrophobicContact CD1-CE2 4.1Å; I295-F313 HydrophobicContact CD1-CG 3.34Å; I295-F313 HydrophobicContact CG1-CD1 4.35Å; I295-F313 HydrophobicContact CG1-CD2 3.83Å; I295-F313 HydrophobicContact CG1-CE1 4.49Å; I295-F313 HydrophobicContact CG1-CE2 3.97Å; I295-F313 HydrophobicContact CG1-CG 4.04Å; I295-F313 HydrophobicContact CG1-CZ 4.3Å
314M94.6Very high93Very high50 Ų5034.4 Ų34.425%0.24620%0.197CC..EExtended strand (participates in β ladder)trans-130.8143.4-175.8-64.3174.7-76.200109.9F171 H172 F224 S225 D312F171-M314 VanDerWaalsContact O-CA 3.31Å; F171-M314 WeakPolarHBondContact O-CA 3.38Å; H172-M314 HydrophobicContact CB-CG 4.09Å; F224-M314 WeakPolarHBondContact CA-O 3.41Å; S225-M314 PolarHBondContact N-O 3.06Å; S225-M314 PolarHBondContact O-N 3.08Å; D312-M314 HydrophobicContact CB-CE 4.34Å
315G95.2Very high93.1Very high3 Ų334.8 Ų34.83%0.03120%0.197CC..EExtended strand (participates in β ladder)trans-148.8145.2174.100000110.9A170 F171 Q223A170-G315 CarbonylContact C-O 3.48Å; A170-G315 WeakPolarHBondContact CA-O 3.5Å; F171-G315 VanDerWaalsContact CE1-CA 3.49Å; F171-G315 PolarHBondContact N-O 3.45Å; F171-G315 PolarHBondContact O-N 3.07Å; F171-G315 VanDerWaalsContact O-N 3.1Å; Q223-G315 CarbonylContact O-C 3.49Å; Q223-G315 VanDerWaalsContact O-CA 3.26Å; Q223-G315 WeakPolarHBondContact O-CA 3.43Å
316I94.6Very high93.1Very high46 Ų4637.1 Ų37.124%0.23621%0.211CC..EExtended strand (participates in β ladder)trans-145.3134.5176.7-178.6165.2000110.5I167 A170 Y222 Q223 L318I167-I316 HydrophobicContact CD1-CD1 3.71Å; I167-I316 HydrophobicContact CG1-CD1 4.08Å; I167-I316 HydrophobicContact CG2-CD1 3.71Å; I167-I316 HydrophobicContact CG2-CG1 3.69Å; A170-I316 HydrophobicContact CB-CB 4.07Å; A170-I316 HydrophobicContact CB-CD1 4.36Å; A170-I316 HydrophobicContact CB-CG1 3.97Å; Y222-I316 CarbonylContact C-O 3.49Å; Y222-I316 WeakPolarHBondContact CA-O 3.31Å; Q223-I316 HydrophobicContact CB-CG2 3.81Å; Q223-I316 PolarHBondContact N-O 3.04Å; Q223-I316 PolarHBondContact O-N 3.15Å; I316-L318 HydrophobicContact CG2-CD2 4.05Å; I316-L318 PolarHBondContact O-N 3.3Å
317L94.3Very high92.9Very high14 Ų1437.4 Ų37.47%0.07321%0.212CC..EExtended strand (participates in β ladder)trans-73120.7168.1177.265.6000109.2Q168 E169 I218 Y222 G319 E320Q168-L317 HydrophobicContact CB-CD2 4.13Å; E169-L317 HydrophobicContact CB-CB 4.1Å; E169-L317 PolarHBondContact O-N 2.96Å; I218-L317 HydrophobicContact CD1-CD2 4.26Å; Y222-L317 HydrophobicContact CD1-CB 4.01Å; Y222-L317 HydrophobicContact CD1-CD1 4.23Å; Y222-L317 HydrophobicContact CD2-CD1 4.15Å; Y222-L317 HydrophobicContact CE1-CB 3.7Å; Y222-L317 HydrophobicContact CE1-CD1 3.86Å; Y222-L317 HydrophobicContact CE1-CG 4.3Å; Y222-L317 HydrophobicContact CE2-CD1 3.77Å; Y222-L317 HydrophobicContact CG-CD1 4.38Å; L317-G319 WeakPolarHBondContact CD1-O 3.34Å; L317-E320 HydrophobicContact CD2-CG 4.36Å
318L92.4Very high92.7Very high87 Ų8740.3 Ų40.346%0.45523%0.228SC..EExtended strand (participates in β ladder)trans-91.6-39.1177.5-64-174.1000112.1I221 Q223 L284 I316I221-L318 PolarHBondContact O-N 3.45Å; Q223-L318 HydrophobicContact CB-CD1 3.87Å; Q223-L318 HydrophobicContact CB-CD2 4.3Å; Q223-L318 HydrophobicContact CB-CG 3.99Å; L284-L318 HydrophobicContact CD2-CD1 3.55Å; I316-L318 HydrophobicContact CG2-CD2 4.05Å; I316-L318 PolarHBondContact O-N 3.3Å
319G87.5Confident92.5Very high23 Ų2339.5 Ų39.524%0.23723%0.227CC..EExtended strand (participates in β ladder)trans-166.5151.8-177.700000112G220 I221 L317G220-G319 CarbonylContact C-O 3.5Å; G220-G319 VanDerWaalsContact CA-O 3.27Å; G220-G319 WeakPolarHBondContact CA-O 3.27Å; I221-G319 PolarHBondContact N-O 3.37Å; L317-G319 WeakPolarHBondContact CD1-O 3.34Å
320E84Confident92.5Very high150 Ų15037.7 Ų37.770%0.70121%0.211SC*.  trans-93.20169.9-58175.1178.900109.6Q168 I218 L317Q168-E320 PolarHBondContact NE2-OE1 3.39Å; I218-E320 HydrophobicContact CG2-CG 3.63Å; I218-E320 WeakPolarHBondContact CG2-OE1 3.21Å; L317-E320 HydrophobicContact CD2-CG 4.36Å

Retrieved 320 of 320 residues in 108 ms (Link to these results)