A0A087Y645_POEFO Loading...

Uncharacterized LOC103139157

AlphaFold DB , UniProt , Accession A0A087Y645, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 314 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
1M42.2Very low46.9Very low249 Ų249155.7 Ų155.7100%1.22784%0.841SS**  0111.80-70.8177.4-91.300108
2A38Very low47.4Very low105 Ų105150.2 Ų150.287%0.86882%0.821SS**  trans-136.5119175.300000107.5
3A43.3Very low48.1Very low99 Ų99155.2 Ų155.282%0.81882%0.821SS**  trans-86.5128.9-174.400000111M5A3-M5 PolarHBondContact O-N 3.16Å
4S46.2Very low48.8Very low101 Ų101149.6 Ų149.671%0.70680%0.801SS**  trans-80.192.8174.541.40000110.8W6S4-W6 PolarHBondContact O-N 3.42Å
5M43.8Very low49.5Very low183 Ų183148.6 Ų148.690%0.90179%0.792SS**  trans-67.995.3170.2-67.7-177.577.900110.7A3A3-M5 PolarHBondContact O-N 3.16Å
6W46.5Very low50.4Low228 Ų228145.1 Ų145.186%0.86478%0.777SS**  trans-72.1136.4173.9-9041000111.7S4 M8S4-W6 PolarHBondContact O-N 3.42Å; W6-M8 PolarHBondContact O-N 2.81Å
7R52.2Low51.4Low234 Ų234138.9 Ų138.988%0.88376%0.756SS**  trans-76.9102.9-172.9-70.9177.2170.2178.9-2.7112.2N9R7-N9 VanDerWaalsContact C-N 3.26Å; R7-N9 PolarHBondContact O-N 3.28Å
8M47.8Very low52.3Low167 Ų167136.2 Ų136.282%0.82374%0.744SS**  trans-83.511.6171.1-73.8162.762.200114.5W6 G10W6-M8 PolarHBondContact O-N 2.81Å; M8-G10 PolarHBondContact O-N 2.74Å; M8-G10 VanDerWaalsContact O-N 3.08Å
9N53.1Low53.2Low135 Ų135134.9 Ų134.972%0.72274%0.736SS**THydrogen-bonded Turntrans-77.17.1-169.4-66.4-8.3000115.9R7R7-N9 VanDerWaalsContact C-N 3.26Å; R7-N9 PolarHBondContact O-N 3.28Å
10G53.2Low54.2Low66 Ų66133.8 Ų133.868%0.6873%0.728SS**THydrogen-bonded Turntrans-82.4-41.7-177.100000114.5M8M8-G10 PolarHBondContact O-N 2.74Å; M8-G10 VanDerWaalsContact O-N 3.08Å
11L50.1Low54.9Low146 Ų146132 Ų13276%0.76472%0.718SS**THydrogen-bonded Turntrans-89.6-29.8-163.6-15468.4000113.8R13 S14L11-R13 VanDerWaalsContact C-N 3.31Å; L11-R13 PolarHBondContact O-N 3.28Å; L11-S14 PolarHBondContact O-OG 3.26Å
12C52.7Low56Low89 Ų89122.5 Ų122.560%0.60168%0.676SS**Hα-helixtrans-67.8-27.7-178.7-61.90000113.6S14 M15 T16C12-S14 PolarHBondContact O-N 2.84Å; C12-M15 PolarHBondContact O-N 3.33Å; C12-T16 PolarHBondContact O-N 3.26Å; C12-T16 PolarHBondContact O-OG1 2.91Å; C12-T16 VanDerWaalsContact O-OG1 3.06Å
13R55.7Low57.5Low215 Ų215119.8 Ų119.881%0.81165%0.653SS**Hα-helixtrans-66.7-33.4-174.8-90.8-172.7166.3-165.3-4.5114.3L11L11-R13 VanDerWaalsContact C-N 3.31Å; L11-R13 PolarHBondContact O-N 3.28Å
14S58.3Low58.5Low78 Ų78120 Ų12055%0.54564%0.64SS.*Hα-helixtrans-72.8-40.2175.253.20000111.3L11 C12 G17 V18L11-S14 PolarHBondContact O-OG 3.26Å; C12-S14 PolarHBondContact O-N 2.84Å; S14-G17 PolarHBondContact O-N 2.75Å; S14-V18 PolarHBondContact O-N 3.12Å; S14-V18 VanDerWaalsContact O-N 3.13Å
15M59.2Low59.3Low134 Ų134119.9 Ų119.966%0.6663%0.631SS**Hα-helixtrans-66.8-40.1-178.6-136178.8179.900112.2C12 G17 V18 L19C12-M15 PolarHBondContact O-N 3.33Å; M15-G17 VanDerWaalsContact C-N 3.3Å; M15-G17 PolarHBondContact O-N 3.03Å; M15-V18 PolarHBondContact O-N 3.26Å; M15-L19 WeakPolarHBondContact O-CB 3.4Å; M15-L19 VanDerWaalsContact O-CG 3.29Å; M15-L19 WeakPolarHBondContact O-CG 3.47Å; M15-L19 PolarHBondContact O-N 2.72Å
16T63.6Low60.1Low92 Ų92119.9 Ų119.956%0.56463%0.626SS**Hα-helixtrans-61.1-38.2173.2-500000112.1C12 L20C12-T16 PolarHBondContact O-N 3.26Å; C12-T16 PolarHBondContact O-OG1 2.91Å; C12-T16 VanDerWaalsContact O-OG1 3.06Å; T16-L20 VanDerWaalsContact O-CB 3.28Å; T16-L20 WeakPolarHBondContact O-CB 3.37Å; T16-L20 PolarHBondContact O-N 3.31Å
17G67.4Low60.8Low40 Ų40113.6 Ų113.641%0.41262%0.617SS.*Hα-helixtrans-65-43.4177.100000113S14 M15 L20 L21S14-G17 PolarHBondContact O-N 2.75Å; M15-G17 VanDerWaalsContact C-N 3.3Å; M15-G17 PolarHBondContact O-N 3.03Å; G17-L20 PolarHBondContact O-N 2.87Å; G17-L21 WeakPolarHBondContact O-CB 3.48Å; G17-L21 PolarHBondContact O-N 2.78Å
18V68.9Low60.7Low90 Ų90106.3 Ų106.355%0.54560%0.602SS.*Hα-helixtrans-67-43.8176.2176.50000111.2S14 M15 L20 L21 C22S14-V18 PolarHBondContact O-N 3.12Å; S14-V18 VanDerWaalsContact O-N 3.13Å; M15-V18 PolarHBondContact O-N 3.26Å; V18-L20 VanDerWaalsContact C-N 3.34Å; V18-L20 PolarHBondContact O-N 2.88Å; V18-L21 PolarHBondContact O-N 2.85Å; V18-C22 PolarHBondContact O-N 3Å; V18-C22 PolarHBondContact O-SG 2.95Å; V18-C22 VanDerWaalsContact O-SG 3.33Å
19L69.3Low60.8Low113 Ų113106.7 Ų106.759%0.59260%0.602SS**Hα-helixtrans-63.6-38.4177.2-71.1168.9000112.3M15 A23M15-L19 WeakPolarHBondContact O-CB 3.4Å; M15-L19 VanDerWaalsContact O-CG 3.29Å; M15-L19 WeakPolarHBondContact O-CG 3.47Å; M15-L19 PolarHBondContact O-N 2.72Å; L19-A23 VanDerWaalsContact O-CB 3.29Å; L19-A23 WeakPolarHBondContact O-CB 3.3Å; L19-A23 PolarHBondContact O-N 2.76Å
20L71.6Confident60.5Low111 Ų111106.1 Ų106.158%0.58160%0.603SS**Hα-helixtrans-65.3-41.2173.4-16978.4000111.5T16 G17 V18 A23 L24T16-L20 VanDerWaalsContact O-CB 3.28Å; T16-L20 WeakPolarHBondContact O-CB 3.37Å; T16-L20 PolarHBondContact O-N 3.31Å; G17-L20 PolarHBondContact O-N 2.87Å; V18-L20 VanDerWaalsContact C-N 3.34Å; V18-L20 PolarHBondContact O-N 2.88Å; L20-A23 PolarHBondContact O-N 2.85Å; L20-L24 HydrophobicContact CG-CD1 4.19Å; L20-L24 WeakPolarHBondContact O-CB 3.49Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.17Å; L20-L24 PolarHBondContact O-N 2.91Å
21L69.8Low60Low96 Ų96110.3 Ų110.350%0.50361%0.608SS.*Hα-helixtrans-65.6-44.2177.3-159.390.9000111.5G17 V18 L24 L25G17-L21 WeakPolarHBondContact O-CB 3.48Å; G17-L21 PolarHBondContact O-N 2.78Å; V18-L21 PolarHBondContact O-N 2.85Å; L21-L24 PolarHBondContact O-N 3.4Å; L21-L25 HydrophobicContact CD2-CD1 4.28Å; L21-L25 HydrophobicContact CG-CD1 4.31Å; L21-L25 WeakPolarHBondContact O-CB 3.2Å; L21-L25 VanDerWaalsContact O-CG 3.29Å; L21-L25 WeakPolarHBondContact O-CG 3.49Å; L21-L25 PolarHBondContact O-N 2.78Å
22C65Low59.5Low51 Ų51108.7 Ų108.735%0.34561%0.608SS.*Hα-helixtrans-61.1-45.9173.5-690000111.2V18 L24 L25 F26V18-C22 PolarHBondContact O-N 3Å; V18-C22 PolarHBondContact O-SG 2.95Å; V18-C22 VanDerWaalsContact O-SG 3.33Å; C22-L24 PolarHBondContact O-N 3.24Å; C22-L25 PolarHBondContact O-N 2.65Å; C22-F26 HydrophobicContact CB-CD2 4.4Å; C22-F26 HydrophobicContact CB-CE2 4.44Å; C22-F26 WeakPolarHBondContact O-CD2 3.31Å; C22-F26 PolarHBondContact O-N 3.3Å
23A68.8Low58.7Low48 Ų48112.6 Ų112.640%0.39762%0.617SS.*Hα-helixtrans-59.2-46.6176.200000111.6L19 L20 L25 F26 S27L19-A23 VanDerWaalsContact O-CB 3.29Å; L19-A23 WeakPolarHBondContact O-CB 3.3Å; L19-A23 PolarHBondContact O-N 2.76Å; L20-A23 PolarHBondContact O-N 2.85Å; A23-L25 VanDerWaalsContact C-N 3.35Å; A23-L25 PolarHBondContact O-N 2.91Å; A23-F26 PolarHBondContact O-N 2.91Å; A23-S27 WeakPolarHBondContact O-CB 3.41Å; A23-S27 PolarHBondContact O-N 2.9Å; A23-S27 PolarHBondContact O-OG 2.89Å; A23-S27 VanDerWaalsContact O-OG 3.06Å
24L65.3Low58Low104 Ų104108.7 Ų108.755%0.54561%0.612SS.*Hα-helixtrans-62.3-38.8177-73.6166.8000112.8L20 L21 C22 S28L20-L24 HydrophobicContact CG-CD1 4.19Å; L20-L24 WeakPolarHBondContact O-CB 3.49Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.17Å; L20-L24 PolarHBondContact O-N 2.91Å; L21-L24 PolarHBondContact O-N 3.4Å; C22-L24 PolarHBondContact O-N 3.24Å; L24-S28 WeakPolarHBondContact O-CB 3.23Å; L24-S28 PolarHBondContact O-N 3.29Å; L24-S28 PolarHBondContact O-OG 2.86Å
25L62.5Low57.2Low98 Ų98110.1 Ų110.151%0.51362%0.618SS.*Hα-helixtrans-70-33.2176.3-72.1168000113.1L21 C22 A23 T225L21-L25 HydrophobicContact CD2-CD1 4.28Å; L21-L25 HydrophobicContact CG-CD1 4.31Å; L21-L25 WeakPolarHBondContact O-CB 3.2Å; L21-L25 VanDerWaalsContact O-CG 3.29Å; L21-L25 WeakPolarHBondContact O-CG 3.49Å; L21-L25 PolarHBondContact O-N 2.78Å; C22-L25 PolarHBondContact O-N 2.65Å; A23-L25 VanDerWaalsContact C-N 3.35Å; A23-L25 PolarHBondContact O-N 2.91Å; L25-T225 HydrophobicContact CD1-CG2 4.46Å
26F60.4Low56.4Low182 Ų182108.4 Ų108.480%0.79862%0.619SS**Hα-helixtrans-87.5-20176.3-71.4-60.8000114C22 A23C22-F26 HydrophobicContact CB-CD2 4.4Å; C22-F26 HydrophobicContact CB-CE2 4.44Å; C22-F26 WeakPolarHBondContact O-CD2 3.31Å; C22-F26 PolarHBondContact O-N 3.3Å; A23-F26 PolarHBondContact O-N 2.91Å
27S61.7Low55Low97 Ų97107.8 Ų107.868%0.67862%0.623SS**Hα-helixtrans-96.1-3.7175.3-60.80000113.6A23 E29A23-S27 WeakPolarHBondContact O-CB 3.41Å; A23-S27 PolarHBondContact O-N 2.9Å; A23-S27 PolarHBondContact O-OG 2.89Å; A23-S27 VanDerWaalsContact O-OG 3.06Å; S27-E29 PolarHBondContact O-N 2.87Å
28S51Low53.9Low80 Ų80111.2 Ų111.256%0.55964%0.638SS**  trans-74.171.7164.1-64.80000109.3L24 V30L24-S28 WeakPolarHBondContact O-CB 3.23Å; L24-S28 PolarHBondContact O-N 3.29Å; L24-S28 PolarHBondContact O-OG 2.86Å; S28-V30 PolarHBondContact O-N 3.14Å
29E48.3Very low52.5Low175 Ų175113 Ų11382%0.81865%0.651SS**  trans-54125.5160.5-170.7171.2162.900107.3S27 I31S27-E29 PolarHBondContact O-N 2.87Å; E29-I31 VanDerWaalsContact C-N 3.28Å; E29-I31 PolarHBondContact O-N 3.35Å
30V48.2Very low51Low124 Ų124113.4 Ų113.475%0.75266%0.659SS**  trans-77.282.5-165.8-166.80000109.4S28 C32S28-V30 PolarHBondContact O-N 3.14Å; V30-C32 VanDerWaalsContact C-N 3.35Å; V30-C32 PolarHBondContact O-N 3.34Å
31I43.2Very low49.5Very low153 Ų153114.1 Ų114.179%0.78567%0.67SS**  trans-66.399.3168-54.5173.9000106.3E29 E33E29-I31 VanDerWaalsContact C-N 3.28Å; E29-I31 PolarHBondContact O-N 3.35Å; I31-E33 PolarHBondContact O-N 2.97Å
32C39.4Very low47.8Very low112 Ų112115.5 Ų115.576%0.75769%0.688SS**  trans-61.6107.1168.8-68.10000108.2V30 D34V30-C32 VanDerWaalsContact C-N 3.35Å; V30-C32 PolarHBondContact O-N 3.34Å; C32-D34 PolarHBondContact O-N 3.07Å; C32-D34 VanDerWaalsContact O-N 3.1Å
33E35.3Very low46.5Very low171 Ų171116.8 Ų116.880%0.79970%0.702SS**  trans-73.4100.9176.8-161.9168.193.500109.1I31 V35I31-E33 PolarHBondContact O-N 2.97Å; E33-V35 VanDerWaalsContact C-N 3.3Å; E33-V35 HydrophobicContact CG-CG2 4.09Å; E33-V35 PolarHBondContact O-N 2.02Å
34D41.8Very low44.8Very low133 Ų133121.7 Ų121.771%0.71172%0.721SS**  trans-73.585.2173.5-164-53000109.4C32 S36C32-D34 PolarHBondContact O-N 3.07Å; C32-D34 VanDerWaalsContact O-N 3.1Å; D34-S36 PolarHBondContact O-N 3.42Å; D34-S36 VanDerWaalsContact OD1-CB 3.27Å; D34-S36 WeakPolarHBondContact OD1-CB 3.41Å; D34-S36 PolarHBondContact OD1-N 3.44Å; D34-S36 PolarHBondContact OD1-OG 2.72Å
35V40.8Very low43Very low109 Ų109122.1 Ų122.166%0.66173%0.729SS**  trans-77.571.3168.2176.60000109.2E33 A37E33-V35 VanDerWaalsContact C-N 3.3Å; E33-V35 HydrophobicContact CG-CG2 4.09Å; E33-V35 PolarHBondContact O-N 2.02Å; V35-A37 VanDerWaalsContact C-N 3.29Å; V35-A37 HydrophobicContact CG1-CB 4.39Å; V35-A37 PolarHBondContact O-N 2.85Å
36S41.8Very low41.5Very low98 Ų98127.8 Ų127.869%0.68575%0.749SS**  trans-82.975.1159.8-740000110D34D34-S36 PolarHBondContact O-N 3.42Å; D34-S36 VanDerWaalsContact OD1-CB 3.27Å; D34-S36 WeakPolarHBondContact OD1-CB 3.41Å; D34-S36 PolarHBondContact OD1-N 3.44Å; D34-S36 PolarHBondContact OD1-OG 2.72Å
37A35.4Very low40.3Very low78 Ų78126.1 Ų126.165%0.64575%0.749SS**PPolyproline II helixtrans-82.4118.8166.200000109.5V35V35-A37 VanDerWaalsContact C-N 3.29Å; V35-A37 HydrophobicContact CG1-CB 4.39Å; V35-A37 PolarHBondContact O-N 2.85Å
38P42.6Very low38.8Very low113 Ų113126 Ų12673%0.73475%0.753SS**PPolyproline II helixtrans-74.6135.8-179.429.5-34000111.2T40P38-T40 PolarHBondContact O-N 2.93Å
39P40.5Very low37.7Very low126 Ų126125.5 Ų125.582%0.81876%0.761SS**PPolyproline II helixtrans-71.1117.8171.128.3-32.3000110.3
40T38.3Very low36.9Very low122 Ų122123.2 Ų123.275%0.74877%0.765SS**PPolyproline II helixtrans-67.2141.1169.135.40000111.1P38 S42P38-T40 PolarHBondContact O-N 2.93Å; T40-S42 PolarHBondContact O-N 3.49Å
41P40.2Very low36Very low127 Ų127120.8 Ų120.883%0.82577%0.765SS**  trans-77.2109176.630.4-32.8000110.6A43P41-A43 PolarHBondContact O-N 3.28Å
42S33.7Very low35.4Very low125 Ų125120.2 Ų120.287%0.87477%0.768SS**  trans-79.5110.4167.5-71.90000110.2T40T40-S42 PolarHBondContact O-N 3.49Å
43A36.8Very low35.1Very low78 Ų78121 Ų12165%0.64577%0.77SS**  trans-100.3148.1172.700000111.7P41P41-A43 PolarHBondContact O-N 3.28Å
44N34.1Very low35.7Very low150 Ų150118.6 Ų118.680%0.80277%0.769SS**  trans108.5128.6152.1-58.4-16.4000119.8
45T27.6Very low35.1Very low113 Ų113117.1 Ų117.169%0.69378%0.776SS**  trans97.395.2146.1-36.20000117.9
46F29.8Very low34.7Very low217 Ų217116.6 Ų116.695%0.95278%0.782SS**  -137.9148118.4-96.6-76.2000109.2
47N35.2Very low35.4Very low148 Ų148117.4 Ų117.479%0.79179%0.786SS**  trans-136142.6-162.6-164.119.4000112.3
48A30.9Very low35.2Very low93 Ų93120.1 Ų120.177%0.76979%0.794SS**  trans61140156.100000122.3
49G27.7Very low34.8Very low70 Ų70119.2 Ų119.272%0.72279%0.79SS**  trans146.955.1169.500000113.9
50S32.3Very low34.2Very low127 Ų127118.9 Ų118.989%0.88879%0.786SS**  85.512387-74.30000116.3
51G28.7Very low33.9Very low73 Ų73117.6 Ų117.675%0.75379%0.787SS**  trans103.7137.3167.200000115.1
52T29.9Very low33.5Very low141 Ų141115.5 Ų115.587%0.86578%0.781SS**  cis-158.1145.8-6.5-61.50000109.1
53T34.8Very low33.5Very low128 Ų128114.5 Ų114.579%0.78577%0.774SS**  trans-129.1151.9166.2-16.30000105.5
54P47.1Very low33.2Very low121 Ų121116.2 Ų116.279%0.78677%0.772SS**  cis-148.4166.844.141.4-21.6000118.2
55A28.7Very low33.3Very low103 Ų103117.4 Ų117.485%0.85177%0.773SS**  trans-174.3135135.200000113
56A32.5Very low33.5Very low97 Ų97115.3 Ų115.380%0.80277%0.774SS**  trans-139.6173.6154.600000105.4
57P55.7Low33.7Very low116 Ų116110 Ų11075%0.75377%0.77SS**  cis-137.1-141.69.242.6-22.1000112.8
58V31.2Very low33.9Very low135 Ų135107.3 Ų107.382%0.81877%0.769SS**  trans92.8142.1170.3-173.30000115.5
59S34.7Very low35.1Very low93 Ų93109 Ų10965%0.6577%0.772SS**  cis-179.4159.9-37.4-169.30000108.4
60T28.6Very low35.4Very low120 Ų120110 Ų11074%0.73677%0.773SS**  trans71.1106.5153.1-43.90000116.4
61A31.1Very low35.4Very low94 Ų94112 Ų11278%0.77777%0.774SS**  69.6154.486.200000114.6
62A33Very low35.5Very low83 Ų83112.2 Ų112.269%0.68678%0.776SS**  cis-160.5174.79.200000112
63S33.8Very low35.7Very low104 Ų104111.5 Ų111.573%0.72778%0.776SS**  trans68.5156.2142.4-72.90000120.3
64D30.6Very low35.7Very low115 Ų115111.3 Ų111.362%0.61578%0.78SS**  cis-156.4141.9-4.9-119.617.2000109.3
65Q36.2Very low35Very low175 Ų175109.6 Ų109.682%0.81879%0.785SS**  72.9151.292.8-73.7-170.963.400119
66G30.9Very low35.2Very low69 Ų69112 Ų11271%0.71178%0.783SS**  trans125.180.8169.700000112.3
67A34.2Very low35.5Very low104 Ų104111.8 Ų111.886%0.8678%0.776SS**  65.7143.373.800000112.9
68A39Very low34.6Very low93 Ų93113.3 Ų113.377%0.76978%0.783SS**  cis-155.4179.717.600000111.8
69P57.4Low34.5Very low129 Ų129110.5 Ų110.584%0.83878%0.781SS**  trans-109.8-174.6-17142.4-34000115
70A33Very low34.4Very low90 Ų90111.2 Ų111.274%0.74479%0.786SS**  trans-151.2134.2162.400000113.4
71D32.8Very low34.5Very low170 Ų170112.2 Ų112.291%0.90979%0.792SS**  trans0.2148.7142.6-54.8-36.8000119.4
72G29.8Very low34.6Very low77 Ų77113.3 Ų113.379%0.79479%0.789SS**  cis-172.1-157.1700000109.2
73S34.4Very low34.9Very low125 Ų125113.7 Ų113.787%0.87479%0.792SS**  cis-163.7-164.6-1.1-163.70000111.1
74S35.6Very low35.2Very low124 Ų124113.9 Ų113.987%0.86779%0.791SS**  trans-59.8155.4-171.5-52.60000120.9
75G31.4Very low35.4Very low85 Ų85114.4 Ų114.488%0.87680%0.799SS**  trans177.8145.316300000113.3
76D33.3Very low35.3Very low154 Ų154112.5 Ų112.582%0.82480%0.798SS**  trans-115157.2-159.1-153-29.4000115.4
77S39.4Very low35.4Very low93 Ų93114.3 Ų114.365%0.6580%0.795SS**  trans85.5119.4142.3-83.80000125
78V35.6Very low35.3Very low148 Ų148117.3 Ų117.390%0.89780%0.796SS**  trans77.7116.7140.8-1760000120.4
79G30.4Very low35Very low76 Ų76119 Ų11978%0.78480%0.797SS**  trans-178.595.1164.600000112.9
80S32.6Very low33.9Very low108 Ų108118.1 Ų118.176%0.75579%0.794SS**  trans-70.9146-178.6-178.40000113.5
81T29.7Very low33.8Very low140 Ų140125.6 Ų125.686%0.85980%0.803SS**  -164141.6129.1-77.30000111.7
82V33.2Very low33.9Very low117 Ų117124.9 Ų124.971%0.70979%0.794SS**  trans-79.1141.3-172.9168.40000112.6
83A40.5Very low34.3Very low92 Ų92129.1 Ų129.176%0.7680%0.799SS**  trans-81.1145164.700000111.3
84P39.9Very low34.6Very low108 Ų108129.3 Ų129.370%0.70179%0.79SS**  trans-139.2147.7135.835-21.6000115.4
85T34.4Very low34.9Very low126 Ų126132.9 Ų132.977%0.77379%0.793SS**  trans-23.8123.5154.8-50.30000115.1V87T85-V87 HydrophobicContact CG2-CG2 4.45Å
86V33.3Very low35.3Very low134 Ų134133.2 Ų133.281%0.81279%0.787SS**  trans-89.2108.4167.5179.20000109.8
87V33.5Very low35.3Very low107 Ų107137.4 Ų137.465%0.64879%0.792SS**  trans-78.6131.5167.8174.30000108.9T85 T89T85-V87 HydrophobicContact CG2-CG2 4.45Å; V87-T89 PolarHBondContact O-N 3.06Å; V87-T89 VanDerWaalsContact O-N 3.16Å
88L32.3Very low35.1Very low168 Ų168137.8 Ų137.888%0.8880%0.8SS**  trans-71.1105.4169.3-94.976.8000110.1S90L88-S90 PolarHBondContact O-N 3.14Å
89T31.6Very low35.1Very low129 Ų129135.3 Ų135.379%0.79180%0.795SS**  trans-81.9106.516720.90000110.8V87V87-T89 PolarHBondContact O-N 3.06Å; V87-T89 VanDerWaalsContact O-N 3.16Å
90S34.1Very low36.4Very low110 Ų110137 Ų13777%0.76979%0.793SS**  trans-64.2130162.2-176.60000109.8L88L88-S90 PolarHBondContact O-N 3.14Å
91R31.6Very low36.5Very low247 Ų247140.9 Ų140.993%0.93280%0.799SS**  trans-96.892.5168.6-86.6-170.2171.5177.7-1.3109.8
92Q35.9Very low37Very low154 Ų154141.9 Ų141.972%0.7280%0.799SS**  trans-86.5130.6163.9-173.4170.2-1900108.4D94Q92-D94 WeakPolarHBondContact CG-OD2 3.39Å; Q92-D94 PolarHBondContact NE2-OD2 2.95Å
93N36.7Very low37.3Very low167 Ų167142 Ų14289%0.89381%0.805SS**  trans-129.287.4-178.5-150.536.7000109.1
94D41.4Very low37.4Very low129 Ų129144.6 Ų144.669%0.6981%0.806SS**  trans-94124.4174.6-81.2-66000110Q92Q92-D94 WeakPolarHBondContact CG-OD2 3.39Å; Q92-D94 PolarHBondContact NE2-OD2 2.95Å
95Q41.9Very low37.2Very low198 Ų198146.7 Ų146.793%0.92581%0.811SS**  trans-139.4104.5154.5-163.5161.722.700110.5
96A39.5Very low37.5Very low92 Ų92146 Ų14676%0.7681%0.809SS**  trans-77159.3179.800000112.3
97R34.2Very low38Very low242 Ų242144.7 Ų144.791%0.91380%0.803SS**  160.9115.2110.3-179173.7-170.6150.81.3112.7
98A34.1Very low38.5Very low101 Ų101145.3 Ų145.384%0.83581%0.813SS**  trans159.5124.9131.500000111.5
99A37.2Very low38.9Very low96 Ų96143.9 Ų143.979%0.79381%0.805SS**  trans-120.2173.1157.200000106.2
100P56.7Low39.5Very low113 Ų113147 Ų14773%0.73481%0.808SS**  cis-134.3178.18.639.1-20.3000114.9
101E35.2Very low39.7Very low189 Ų189146.7 Ų146.788%0.88380%0.801SS**  178.4166.1115.7-94.1-167147.800112.9
102N40.2Very low40.5Very low160 Ų160142 Ų14286%0.85679%0.793SS**  trans-65.5148-167.4-74-38.6000116
103S38.2Very low40.8Very low120 Ų120140.2 Ų140.284%0.83979%0.792SS**  -159.8164.7116.4-150.90000112.4
104N44.2Very low41.6Very low146 Ų146140.2 Ų140.278%0.78179%0.787SS**  trans-90.4175.7-169.6-67.5-76.6000114.3
105D35.5Very low42.4Very low152 Ų152140 Ų14081%0.81378%0.78SS**  trans79.7119.7173.4-72.5-52.3000118.7
106P40.7Very low43.3Very low112 Ų112134.1 Ų134.173%0.72777%0.765SS**  trans-84122.8171.532.6-30.5000111S108P106-S108 PolarHBondContact O-N 3.23Å
107P43.1Very low44.5Very low106 Ų106134.4 Ų134.469%0.68876%0.759SS**  trans-68.8121.9163.828.5-31.4000108.7L109P107-L109 PolarHBondContact O-N 2.97Å
108S44.4Very low46.6Very low121 Ų121126.2 Ų126.285%0.84673%0.733SS**  trans-65.779.1172.8-65.60000111P106 K110P106-S108 PolarHBondContact O-N 3.23Å; S108-K110 PolarHBondContact O-N 3.26Å
109L40.6Very low48.9Very low137 Ų137126.4 Ų126.472%0.71772%0.72SS**  trans-62.8106.9164.2-10990.4000107.6P107 V111P107-L109 PolarHBondContact O-N 2.97Å; L109-V111 HydrophobicContact CB-CG2 4.32Å; L109-V111 PolarHBondContact O-N 2.63Å
110K43.7Very low51.3Low196 Ų196122.7 Ų122.785%0.85269%0.687SS**  trans-61.791.4150.5-78.2-174.9175.9-178.30106.5S108 I112S108-K110 PolarHBondContact O-N 3.26Å; K110-I112 PolarHBondContact O-N 2.92Å
111V38.7Very low52.9Low103 Ų103121 Ų12162%0.62468%0.675SS**  trans-64.294164.1-175.40000105.5L109 T113L109-V111 HydrophobicContact CB-CG2 4.32Å; L109-V111 PolarHBondContact O-N 2.63Å; V111-T113 WeakPolarHBondContact CG1-OG1 3.26Å; V111-T113 PolarHBondContact O-N 2.04Å
112I48.4Very low55.6Low149 Ų149112.1 Ų112.176%0.76463%0.634SS**  trans-64.294.6154.3-59.6177.1000103.2K110 E114K110-I112 PolarHBondContact O-N 2.92Å; I112-E114 PolarHBondContact O-N 2.9Å
113T41.8Very low58Low115 Ų115108.3 Ų108.371%0.70662%0.616SS**  trans-69.378.4166.6-54.90000106.1V111 K115V111-T113 WeakPolarHBondContact CG1-OG1 3.26Å; V111-T113 PolarHBondContact O-N 2.04Å; T113-K115 PolarHBondContact O-N 3.27Å
114E54.2Low60.6Low167 Ų167102.7 Ų102.778%0.7858%0.577SS**  trans-5898.4158.6-172.5173.6171.800105.1I112 A116I112-E114 PolarHBondContact O-N 2.9Å; E114-A116 PolarHBondContact O-N 2.63Å
115K57.3Low63Low126 Ų12699.2 Ų99.255%0.54856%0.561SS.*  trans-58.9106.7-177.4-176.9-172.4179.3-168.20105.8T113 S163T113-K115 PolarHBondContact O-N 3.27Å; K115-S163 PolarHBondContact NZ-O 3.44Å
116A60.8Low65.7Low73 Ų7394.2 Ų94.260%0.60354%0.537SS*.  trans-48.2135.4-176.700000109.4E114 L118E114-A116 PolarHBondContact O-N 2.63Å; A116-L118 PolarHBondContact O-N 3.3Å
117P64.2Low68.2Low98 Ų9889.8 Ų89.864%0.63651%0.508SS*.  trans-56.5113-173.320.6-31.8000109.6N119 P160P117-N119 PolarHBondContact O-N 3.34Å; P117-P160 HydrophobicContact CB-CB 3.91Å
118L78.5Confident70.5Confident71 Ų7186.5 Ų86.537%0.37249%0.493SS..  trans-73.4114.5179-76.9170.7000108.2A116 V120A116-L118 PolarHBondContact O-N 3.3Å; L118-V120 HydrophobicContact CB-CG1 4.19Å; L118-V120 PolarHBondContact O-N 3.25Å
119N84.1Confident72.5Confident104 Ų10485.3 Ų85.356%0.55647%0.473SS*.  trans-72.997.6169.3-75.10.4000108.6P117 P158 P160P117-N119 PolarHBondContact O-N 3.34Å; N119-P158 HydrophobicContact CB-CB 4.15Å; N119-P160 WeakPolarHBondContact OD1-CD 3.4Å
120V87.6Confident74.6Confident18 Ų1888.4 Ų88.411%0.10948%0.484CS..BIsolated β-bridgetrans-97.5152.1178.1-68.60000110.4L118 A159 W161 C167L118-V120 HydrophobicContact CB-CG1 4.19Å; L118-V120 PolarHBondContact O-N 3.25Å; V120-A159 PolarHBondContact N-O 2.78Å; V120-A159 VanDerWaalsContact N-O 3.12Å; V120-A159 PolarHBondContact O-N 2.8Å; V120-W161 HydrophobicContact CG2-CB 4.31Å; V120-C167 HydrophobicContact CG2-CB 4.13Å
121V89.6Confident76.4Confident79 Ų7984 Ų8448%0.47947%0.466SS..PPolyproline II helixtrans-91.4116.9164.2175.30000106.8E155 P158V121-E155 WeakPolarHBondContact CG1-O 3.39Å; V121-P158 HydrophobicContact CG2-CB 4.12Å; V121-P158 HydrophobicContact CG2-CG 3.76Å
122P90.8Very high78.6Confident2 Ų279.4 Ų79.41%0.01344%0.438CS..PPolyproline II helixtrans-80.7156.1-179.434.1-34.3000111V124 I154 W161 C167 L169P122-V124 HydrophobicContact CG-CG2 4.24Å; P122-I154 HydrophobicContact CG-CG2 3.54Å; P122-W161 HydrophobicContact CB-CG 4.4Å; P122-W161 HydrophobicContact CG-CD2 4.3Å; P122-W161 HydrophobicContact CG-CG 4.06Å; P122-C167 CarbonylContact C-O 3.54Å; P122-C167 VanDerWaalsContact CA-O 3.23Å; P122-C167 WeakPolarHBondContact CA-O 3.37Å; P122-C167 HydrophobicContact CB-CB 4.12Å; P122-C167 VanDerWaalsContact CB-O 3.3Å; P122-C167 WeakPolarHBondContact CB-O 3.38Å; P122-L169 HydrophobicContact CB-CD1 3.53Å; P122-L169 HydrophobicContact CB-CG 3.7Å; P122-L169 HydrophobicContact CG-CD1 3.52Å; P122-L169 HydrophobicContact CG-CG 4.26Å
123T91.8Very high80.1Confident79 Ų7975.8 Ų75.849%0.48542%0.424SS..EExtended strand (participates in β ladder)trans-86.1120.4166.2-50.10000108.3C167 D168 L169T123-C167 PolarHBondContact N-O 3.22Å; T123-D168 WeakPolarHBondContact CB-OD1 3.04Å; T123-L169 PolarHBondContact O-N 3.2Å
124V93.4Very high81.9Confident2 Ų274.2 Ų74.21%0.01241%0.409CS..EExtended strand (participates in β ladder)trans-104.7129.1-176.7-178.10000111.2P122 K151 I154 E155 L169 I171P122-V124 HydrophobicContact CG-CG2 4.24Å; V124-K151 HydrophobicContact CB-CB 4.19Å; V124-K151 HydrophobicContact CB-CD 4.33Å; V124-K151 HydrophobicContact CB-CG 3.94Å; V124-K151 HydrophobicContact CG1-CB 3.78Å; V124-K151 HydrophobicContact CG1-CD 4.38Å; V124-K151 HydrophobicContact CG1-CG 4.05Å; V124-K151 PolarHBondContact O-NZ 2.91Å; V124-I154 HydrophobicContact CG2-CB 4.14Å; V124-I154 HydrophobicContact CG2-CG2 3.47Å; V124-I154 VanDerWaalsContact CG2-CG2 3.47Å; V124-E155 HydrophobicContact CB-CG 4.16Å; V124-E155 HydrophobicContact CG2-CG 3.78Å; V124-E155 PolarHBondContact N-OE1 3.41Å; V124-L169 WeakPolarHBondContact CA-O 3.5Å; V124-L169 HydrophobicContact CG2-CB 4.33Å; V124-L169 HydrophobicContact CG2-CD1 4.45Å; V124-I171 HydrophobicContact CG1-CB 4.46Å; V124-I171 HydrophobicContact CG1-CD1 3.55Å; V124-I171 HydrophobicContact CG1-CG1 3.92Å
125V93.4Very high82.9Confident73 Ų7374.6 Ų74.644%0.44241%0.411SS..EExtended strand (participates in β ladder)trans-117.2123.5174.3-172.80000109.8V127 L169 K170 I171V125-V127 HydrophobicContact CB-CG1 4.44Å; V125-V127 HydrophobicContact CG1-CG1 3.86Å; V125-L169 PolarHBondContact N-O 2.63Å; V125-K170 WeakPolarHBondContact O-CA 3.47Å; V125-I171 PolarHBondContact O-N 3.39Å
126C93.3Very high84Confident48 Ų4870.9 Ų70.932%0.32440%0.4SS..EExtended strand (participates in β ladder)trans-79.8118.6171.1-70.40000109.7C147 I171C126-C147 VanDerWaalsContact CA-SG 3.54Å; C126-C147 HydrophobicContact CB-CB 3.88Å; C126-C147 WeakPolarHBondContact CB-SG 3.16Å; C126-C147 WeakPolarHBondContact SG-CB 2.98Å; C126-C147 CovalentContact SG-SG 2.04Å; C126-C147 PolarHBondContact SG-SG 3.47Å; C126-I171 WeakPolarHBondContact CA-O 3.44Å
127V93.3Very high85.3Confident18 Ų1867.4 Ų67.411%0.10937%0.372CS..  trans-122.9166.1-173.8-64.60000112V125 E131 I132 K170 I171 F172V125-V127 HydrophobicContact CB-CG1 4.44Å; V125-V127 HydrophobicContact CG1-CG1 3.86Å; V127-E131 HydrophobicContact CB-CB 4.07Å; V127-E131 HydrophobicContact CB-CG 4.43Å; V127-E131 WeakPolarHBondContact CB-OE1 3.47Å; V127-E131 WeakPolarHBondContact CG1-OE2 3.48Å; V127-E131 HydrophobicContact CG2-CB 4.19Å; V127-I132 HydrophobicContact CG2-CD1 3.51Å; V127-I132 HydrophobicContact CG2-CG1 3.58Å; V127-K170 HydrophobicContact CG1-CB 4.42Å; V127-K170 HydrophobicContact CG1-CD 4.15Å; V127-K170 HydrophobicContact CG1-CG 4.18Å; V127-K170 HydrophobicContact CG2-CB 4.01Å; V127-I171 PolarHBondContact N-O 2.68Å; V127-F172 WeakPolarHBondContact O-CD2 3.23Å
128G90.4Very high86.6Confident37 Ų3762.7 Ų62.738%0.38134%0.341SS..  trans-72.1161173.900000113E130 E131G128-E130 PolarHBondContact O-N 3.39Å; G128-E131 PolarHBondContact N-OE1 3.28Å; G128-E131 PolarHBondContact O-N 3.06Å; G128-E131 VanDerWaalsContact O-N 3.16Å
129K86.1Confident87.3Confident97 Ų9763 Ų6342%0.42234%0.339SS..G310 helixtrans-56.4-37178.1-173.4173.5176.8172.90112.4E131 I132 E134 F172K129-E131 PolarHBondContact O-N 3.31Å; K129-I132 PolarHBondContact O-N 3.22Å; K129-E134 WeakPolarHBondContact CE-OE1 3.49Å; K129-E134 IonicContact NZ-OE1 2.82Å; K129-E134 PolarHBondContact NZ-OE1 3.41Å; K129-F172 HydrophobicContact CB-CD1 4.15Å; K129-F172 HydrophobicContact CB-CD2 4.12Å; K129-F172 HydrophobicContact CB-CE1 3.86Å; K129-F172 HydrophobicContact CB-CE2 3.83Å; K129-F172 HydrophobicContact CB-CG 4.27Å; K129-F172 HydrophobicContact CB-CZ 3.69Å; K129-F172 HydrophobicContact CD-CE1 4.14Å; K129-F172 HydrophobicContact CD-CZ 4.38Å; K129-F172 HydrophobicContact CG-CD1 4.25Å; K129-F172 HydrophobicContact CG-CE1 3.94Å; K129-F172 HydrophobicContact CG-CZ 4.23Å
130E84.4Confident87.7Confident201 Ų20158.3 Ų58.394%0.93932%0.315SS*.G310 helixtrans-67.7-21.2-176.6-61.4178.4-168.800113.3G128G128-E130 PolarHBondContact O-N 3.39Å
131E82.9Confident87.9Confident104 Ų10460.6 Ų60.649%0.48633%0.325SS..G310 helixtrans-83.3-10.2177.7-68.8-174.3-11300114V127 G128 K129 K170V127-E131 HydrophobicContact CB-CB 4.07Å; V127-E131 HydrophobicContact CB-CG 4.43Å; V127-E131 WeakPolarHBondContact CB-OE1 3.47Å; V127-E131 WeakPolarHBondContact CG1-OE2 3.48Å; V127-E131 HydrophobicContact CG2-CB 4.19Å; G128-E131 PolarHBondContact N-OE1 3.28Å; G128-E131 PolarHBondContact O-N 3.06Å; G128-E131 VanDerWaalsContact O-N 3.16Å; K129-E131 PolarHBondContact O-N 3.31Å; E131-K170 IonicContact OE2-NZ 2.91Å; E131-K170 PolarHBondContact OE2-NZ 2.98Å; E131-K170 VanDerWaalsContact OE2-NZ 3.14Å
132I83.9Confident88.1Confident6 Ų656.9 Ų56.93%0.03130%0.302CS..SBendtrans-119.3105.4-177.3-59.8-167.7000109.8V127 K129 E134 A137 K170 F172 L179 T181V127-I132 HydrophobicContact CG2-CD1 3.51Å; V127-I132 HydrophobicContact CG2-CG1 3.58Å; K129-I132 PolarHBondContact O-N 3.22Å; I132-E134 PolarHBondContact O-N 3.15Å; I132-A137 HydrophobicContact CG2-CB 3.27Å; I132-K170 HydrophobicContact CD1-CB 4.18Å; I132-F172 HydrophobicContact CD1-CB 3.85Å; I132-L179 WeakPolarHBondContact CD1-O 3.48Å; I132-L179 HydrophobicContact CG2-CB 4.04Å; I132-T181 HydrophobicContact CB-CG2 4.48Å; I132-T181 HydrophobicContact CD1-CG2 4.14Å; I132-T181 HydrophobicContact CG1-CG2 4.01Å; I132-T181 HydrophobicContact CG2-CG2 3.99Å
133P79.9Confident88.1Confident74 Ų7458.4 Ų58.448%0.48132%0.318SS..  trans-64.3123.2173.1-14.527.4000109.9Q135 S136 A137P133-Q135 PolarHBondContact O-N 3.44Å; P133-S136 WeakPolarHBondContact CB-OG 3Å; P133-S136 PolarHBondContact O-N 2.86Å; P133-S136 PolarHBondContact O-OG 3.35Å; P133-A137 WeakPolarHBondContact O-CB 3.27Å; P133-A137 PolarHBondContact O-N 3.48Å
134E79.8Confident88Confident81 Ų8155.2 Ų55.238%0.37930%0.299SS..THydrogen-bonded Turntrans-59.9-16.4-179.5-60.8-162.1-171.100113.7K129 I132 K139 L179K129-E134 WeakPolarHBondContact CE-OE1 3.49Å; K129-E134 IonicContact NZ-OE1 2.82Å; K129-E134 PolarHBondContact NZ-OE1 3.41Å; I132-E134 PolarHBondContact O-N 3.15Å; E134-K139 IonicContact OE2-NZ 2.68Å; E134-K139 PolarHBondContact OE2-NZ 3.26Å; E134-L179 HydrophobicContact CB-CD2 4.3Å; E134-L179 HydrophobicContact CG-CD2 3.93Å
135Q75.1Confident87.8Confident176 Ų17663 Ų6382%0.82233%0.333SS*.THydrogen-bonded Turntrans-83.1-22179.1-54.6-177.52200113.1P133 P211P133-Q135 PolarHBondContact O-N 3.44Å; Q135-P211 VanDerWaalsContact O-CB 3.25Å; Q135-P211 WeakPolarHBondContact O-CB 3.43Å
136S80.8Confident87.7Confident47 Ų4761.6 Ų61.633%0.32933%0.326SS..SBendtrans-119.625.1-176.866.30000112.4P133 T181P133-S136 WeakPolarHBondContact CB-OG 3Å; P133-S136 PolarHBondContact O-N 2.86Å; P133-S136 PolarHBondContact O-OG 3.35Å; S136-T181 WeakPolarHBondContact O-CB 3.13Å; S136-T181 PolarHBondContact O-OG1 2.8Å
137A88.8Confident87.6Confident0 Ų060.3 Ų60.30%032%0.318CS..SBendtrans-135.1131.9-174.700000111.7I132 P133 K139 L179 M180 P211I132-A137 HydrophobicContact CG2-CB 3.27Å; P133-A137 WeakPolarHBondContact O-CB 3.27Å; P133-A137 PolarHBondContact O-N 3.48Å; A137-K139 PolarHBondContact O-N 2.85Å; A137-L179 HydrophobicContact CB-CB 4.3Å; A137-L179 HydrophobicContact CB-CD2 4.23Å; A137-M180 CarbonylContact C-O 3.48Å; A137-M180 VanDerWaalsContact CA-O 3.3Å; A137-M180 WeakPolarHBondContact CA-O 3.41Å; A137-P211 WeakPolarHBondContact O-CD 3.32Å; A137-P211 WeakPolarHBondContact O-CG 3.02Å
138V91.4Very high87.7Confident0 Ų064.7 Ų64.70%034%0.34CS..EExtended strand (participates in β ladder)trans-68.3124.3171.9-176.50000108.2L179 M180 L187 L190 V191 L194 V208V138-L179 WeakPolarHBondContact O-CA 3.44Å; V138-M180 PolarHBondContact N-O 2.97Å; V138-M180 PolarHBondContact O-N 2.96Å; V138-L187 HydrophobicContact CG2-CB 4.43Å; V138-L187 HydrophobicContact CG2-CD2 3.75Å; V138-L190 HydrophobicContact CG2-CB 3.9Å; V138-L190 HydrophobicContact CG2-CD1 4.3Å; V138-V191 HydrophobicContact CB-CG2 4.37Å; V138-V191 HydrophobicContact CG1-CG2 3.59Å; V138-V191 HydrophobicContact CG2-CG2 3.78Å; V138-L194 HydrophobicContact CG1-CD1 4.1Å; V138-V208 HydrophobicContact CG1-CG1 3.75Å
139K91.8Very high87.8Confident76 Ų7667 Ų6733%0.3334%0.341SS..EExtended strand (participates in β ladder)trans-92.7130.2173-67.7179.9175.2-176.60108E134 A137 I178 L179 V208 D209E134-K139 IonicContact OE2-NZ 2.68Å; E134-K139 PolarHBondContact OE2-NZ 3.26Å; A137-K139 PolarHBondContact O-N 2.85Å; K139-I178 WeakPolarHBondContact CA-O 3.43Å; K139-L179 HydrophobicContact CG-CD2 4Å; K139-L179 HydrophobicContact CG-CG 4.08Å; K139-V208 CarbonylContact O-C 3.57Å; K139-V208 WeakPolarHBondContact O-CA 3.3Å; K139-D209 HydrophobicContact CB-CB 4.14Å; K139-D209 PolarHBondContact N-O 2.88Å; K139-D209 PolarHBondContact O-N 3.12Å
140A92.8Very high88.1Confident6 Ų662.4 Ų62.45%0.0532%0.321CS..EExtended strand (participates in β ladder)trans-143.9157.4174.700000111.9N177 I178 L194 L205 N207 V208A140-N177 CarbonylContact O-C 3.54Å; A140-N177 WeakPolarHBondContact O-CA 3.41Å; A140-I178 HydrophobicContact CB-CD1 4.12Å; A140-I178 HydrophobicContact CB-CG1 3.82Å; A140-I178 PolarHBondContact N-O 2.8Å; A140-I178 WeakPolarHBondContact O-CG1 3.46Å; A140-I178 PolarHBondContact O-N 2.93Å; A140-L194 HydrophobicContact CB-CD1 4.06Å; A140-L205 HydrophobicContact CB-CD1 3.99Å; A140-N207 CarbonylContact C-O 3.51Å; A140-N207 VanDerWaalsContact CA-O 3.24Å; A140-N207 WeakPolarHBondContact CA-O 3.34Å; A140-N207 WeakPolarHBondContact CB-O 3.43Å; A140-V208 HydrophobicContact CB-CB 4.49Å; A140-V208 HydrophobicContact CB-CG1 4.4Å; A140-V208 HydrophobicContact CB-CG2 4.13Å
141Q93.1Very high88.5Confident67 Ų6755.6 Ų55.631%0.31329%0.289SS..EExtended strand (participates in β ladder)trans-112.4118.9178.9-172.1170.199.700110.7N176 N177 L205 K206 N207Q141-N176 CarbonylContact C-O 3.57Å; Q141-N176 VanDerWaalsContact CA-O 3.3Å; Q141-N176 WeakPolarHBondContact CA-O 3.37Å; Q141-N176 HydrophobicContact CG-CB 4.31Å; Q141-N177 PolarHBondContact NE2-OD1 3.39Å; Q141-L205 CarbonylContact O-C 3.55Å; Q141-L205 WeakPolarHBondContact O-CA 3.1Å; Q141-K206 HydrophobicContact CB-CB 4.29Å; Q141-K206 HydrophobicContact CG-CB 4.32Å; Q141-K206 HydrophobicContact CG-CD 4.41Å; Q141-K206 PolarHBondContact O-N 3.35Å; Q141-N207 HydrophobicContact CB-CB 4.33Å; Q141-N207 PolarHBondContact N-O 3.25Å
142V93.9Very high89.1Confident0 Ų053.2 Ų53.20%029%0.287CS..  trans-112.5161.9-175.5-66.50000111.7T144 N176 I178 L203 L205V142-T144 WeakPolarHBondContact CG2-OG1 3.14Å; V142-N176 WeakPolarHBondContact CG2-O 3.5Å; V142-N176 PolarHBondContact N-O 2.99Å; V142-N176 WeakPolarHBondContact O-CB 3.22Å; V142-N176 PolarHBondContact O-ND2 3.25Å; V142-I178 HydrophobicContact CG1-CD1 3.78Å; V142-I178 HydrophobicContact CG1-CG1 4.08Å; V142-I178 HydrophobicContact CG1-CG2 4.44Å; V142-I178 HydrophobicContact CG2-CG2 3.75Å; V142-L203 WeakPolarHBondContact CA-O 3.49Å; V142-L203 WeakPolarHBondContact CB-O 3.33Å; V142-L203 HydrophobicContact CG1-CB 4.11Å; V142-L205 HydrophobicContact CG1-CD1 3.68Å
143G90.6Very high89.5Confident34 Ų3454.4 Ų54.435%0.35129%0.293SS..SBendtrans-85.2-18.7173.100000114.7L203 N204G143-L203 PolarHBondContact N-O 3.16Å; G143-N204 PolarHBondContact N-O 3.05Å
144T88.9Confident90.1Very high13 Ų1350.9 Ų50.98%0.0827%0.27CS..  trans-62.9159173.555.50000111.3V142 E149 T150 I153 Q173V142-T144 WeakPolarHBondContact CG2-OG1 3.14Å; T144-E149 HydrophobicContact CG2-CB 3.87Å; T144-T150 WeakPolarHBondContact CB-OG1 3.41Å; T144-T150 PolarHBondContact OG1-OG1 2.75Å; T144-I153 HydrophobicContact CG2-CD1 3.71Å; T144-Q173 PolarHBondContact O-NE2 3.26Å; T144-Q173 VanDerWaalsContact O-NE2 3.11Å; T144-Q173 PolarHBondContact OG1-NE2 3.31Å
145K88.8Confident90.7Very high165 Ų16549.8 Ų49.872%0.71727%0.265SS*.SBendtrans-113.4-20.9-179.9-66.1-179.5-177.2174.90113.6E149K145-E149 PolarHBondContact N-OE2 3.38Å
146S91.1Very high91.5Very high43 Ų4347.8 Ų47.830%0.30126%0.255SS..SBendtrans-122.8148.1178.874.30000112.2N148 E149 T150 Q173S146-N148 PolarHBondContact O-N 2.79Å; S146-E149 WeakPolarHBondContact CB-OE1 3.42Å; S146-E149 PolarHBondContact N-OE1 3.13Å; S146-E149 PolarHBondContact N-OE2 3.36Å; S146-E149 PolarHBondContact O-N 3.31Å; S146-E149 VanDerWaalsContact OG-CG 3.3Å; S146-E149 WeakPolarHBondContact OG-CG 3.32Å; S146-E149 PolarHBondContact OG-N 2.97Å; S146-E149 PolarHBondContact OG-OE1 3.49Å; S146-T150 PolarHBondContact O-N 3.42Å; S146-T150 PolarHBondContact O-OG1 3.15Å; S146-Q173 PolarHBondContact O-OE1 2.9Å
147C92.8Very high91.9Very high22 Ų2246 Ų4615%0.14924%0.242CC..Hα-helixtrans-60.3-32.1175.9-175.60000111.9C126 T150 K151 Q173C126-C147 VanDerWaalsContact CA-SG 3.54Å; C126-C147 HydrophobicContact CB-CB 3.88Å; C126-C147 WeakPolarHBondContact CB-SG 3.16Å; C126-C147 WeakPolarHBondContact SG-CB 2.98Å; C126-C147 CovalentContact SG-SG 2.04Å; C126-C147 PolarHBondContact SG-SG 3.47Å; C147-T150 PolarHBondContact O-N 3.12Å; C147-K151 VanDerWaalsContact O-CB 3.26Å; C147-K151 WeakPolarHBondContact O-CB 3.29Å; C147-K151 PolarHBondContact O-N 2.84Å; C147-Q173 HydrophobicContact CB-CB 3.98Å
148N93.4Very high91.9Very high110 Ų11049.2 Ų49.259%0.58826%0.263SS*.Hα-helixtrans-66.6-37.6177.6-72.3-14.7000113S146 A152S146-N148 PolarHBondContact O-N 2.79Å; N148-A152 WeakPolarHBondContact O-CB 3.41Å; N148-A152 PolarHBondContact O-N 3.02Å
149E93.4Very high91.7Very high86 Ų8649.2 Ų49.240%0.40226%0.264SS..Hα-helixtrans-61.7-48.1171.4-72.5149-131.500110.9T144 K145 S146 A152 I153T144-E149 HydrophobicContact CG2-CB 3.87Å; K145-E149 PolarHBondContact N-OE2 3.38Å; S146-E149 WeakPolarHBondContact CB-OE1 3.42Å; S146-E149 PolarHBondContact N-OE1 3.13Å; S146-E149 PolarHBondContact N-OE2 3.36Å; S146-E149 PolarHBondContact O-N 3.31Å; S146-E149 VanDerWaalsContact OG-CG 3.3Å; S146-E149 WeakPolarHBondContact OG-CG 3.32Å; S146-E149 PolarHBondContact OG-N 2.97Å; S146-E149 PolarHBondContact OG-OE1 3.49Å; E149-A152 PolarHBondContact O-N 2.77Å; E149-I153 WeakPolarHBondContact O-CG1 3.23Å; E149-I153 PolarHBondContact O-N 3.29Å
150T92.3Very high91.6Very high0 Ų046.8 Ų46.80%026%0.255CS..Hα-helixtrans-61.4-45.4179.1-59.10000111.7T144 S146 C147 I153 I154 I171 Q173 I178 L203T144-T150 WeakPolarHBondContact CB-OG1 3.41Å; T144-T150 PolarHBondContact OG1-OG1 2.75Å; S146-T150 PolarHBondContact O-N 3.42Å; S146-T150 PolarHBondContact O-OG1 3.15Å; C147-T150 PolarHBondContact O-N 3.12Å; T150-I153 PolarHBondContact O-N 3.09Å; T150-I154 HydrophobicContact CG2-CD1 3.84Å; T150-I154 WeakPolarHBondContact O-CB 3.27Å; T150-I154 WeakPolarHBondContact O-CG1 3.21Å; T150-I154 PolarHBondContact O-N 3.41Å; T150-I171 HydrophobicContact CG2-CD1 4.35Å; T150-Q173 PolarHBondContact OG1-OE1 3.06Å; T150-I178 HydrophobicContact CG2-CG2 4.36Å; T150-L203 HydrophobicContact CG2-CD2 4.02Å
151K93.9Very high91.4Very high58 Ų5846.5 Ų46.525%0.25225%0.253SS..Hα-helixtrans-55.7-52.8173.6158.5169.4170.480.10111.2V124 C147 I153 I154 E155V124-K151 HydrophobicContact CB-CB 4.19Å; V124-K151 HydrophobicContact CB-CD 4.33Å; V124-K151 HydrophobicContact CB-CG 3.94Å; V124-K151 HydrophobicContact CG1-CB 3.78Å; V124-K151 HydrophobicContact CG1-CD 4.38Å; V124-K151 HydrophobicContact CG1-CG 4.05Å; V124-K151 PolarHBondContact O-NZ 2.91Å; C147-K151 VanDerWaalsContact O-CB 3.26Å; C147-K151 WeakPolarHBondContact O-CB 3.29Å; C147-K151 PolarHBondContact O-N 2.84Å; K151-I153 VanDerWaalsContact C-N 3.31Å; K151-I153 PolarHBondContact O-N 3.47Å; K151-I154 PolarHBondContact O-N 3.16Å; K151-I154 VanDerWaalsContact O-N 3.14Å; K151-E155 VanDerWaalsContact CE-OE2 3.31Å; K151-E155 WeakPolarHBondContact CE-OE2 3.44Å; K151-E155 HydrophobicContact CG-CG 4.42Å; K151-E155 WeakPolarHBondContact CG-OE2 3.47Å; K151-E155 IonicContact NZ-OE1 2.72Å; K151-E155 PolarHBondContact NZ-OE1 2.96Å; K151-E155 IonicContact NZ-OE2 2.65Å; K151-E155 PolarHBondContact NZ-OE2 3.1Å; K151-E155 WeakPolarHBondContact O-CB 3.4Å; K151-E155 WeakPolarHBondContact O-CG 3.49Å; K151-E155 PolarHBondContact O-N 3.22Å
152A93.8Very high91Very high54 Ų5443.4 Ų43.445%0.44624%0.239SC..Hα-helixtrans-58.3-44-178.900000111.7N148 E149 I154 E155 E156N148-A152 WeakPolarHBondContact O-CB 3.41Å; N148-A152 PolarHBondContact O-N 3.02Å; E149-A152 PolarHBondContact O-N 2.77Å; A152-I154 VanDerWaalsContact C-N 3.34Å; A152-I154 PolarHBondContact O-N 2.81Å; A152-E155 PolarHBondContact O-N 2.9Å; A152-E156 WeakPolarHBondContact O-CB 3.3Å; A152-E156 PolarHBondContact O-N 2.83Å
153I92.9Very high90.5Very high31 Ų3147.9 Ų47.916%0.15927%0.27CS..Hα-helixtrans-62.8-40177.9-70.6164.2000112.2T144 E149 T150 K151 T157 L199 K202 L203T144-I153 HydrophobicContact CG2-CD1 3.71Å; E149-I153 WeakPolarHBondContact O-CG1 3.23Å; E149-I153 PolarHBondContact O-N 3.29Å; T150-I153 PolarHBondContact O-N 3.09Å; K151-I153 VanDerWaalsContact C-N 3.31Å; K151-I153 PolarHBondContact O-N 3.47Å; I153-T157 VanDerWaalsContact O-CB 3.23Å; I153-T157 WeakPolarHBondContact O-CB 3.45Å; I153-T157 PolarHBondContact O-N 2.91Å; I153-T157 PolarHBondContact O-OG1 2.95Å; I153-L199 HydrophobicContact CG2-CD2 4.47Å; I153-K202 HydrophobicContact CG2-CB 3.55Å; I153-K202 HydrophobicContact CG2-CD 4.03Å; I153-K202 HydrophobicContact CG2-CG 4.47Å; I153-L203 HydrophobicContact CB-CD2 3.86Å; I153-L203 HydrophobicContact CD1-CD2 4.04Å; I153-L203 HydrophobicContact CG2-CD2 3.51Å; I153-L203 HydrophobicContact CG2-CG 3.74Å
154I92.2Very high90Very high0 Ų048.2 Ų48.20%027%0.267CS..Hα-helixtrans-71.2-41.3179.6-72.5170.4000111.2P122 V124 T150 K151 A152 E156 T157 W161 L169 I171 L199 L203P122-I154 HydrophobicContact CG-CG2 3.54Å; V124-I154 HydrophobicContact CG2-CB 4.14Å; V124-I154 HydrophobicContact CG2-CG2 3.47Å; V124-I154 VanDerWaalsContact CG2-CG2 3.47Å; T150-I154 HydrophobicContact CG2-CD1 3.84Å; T150-I154 WeakPolarHBondContact O-CB 3.27Å; T150-I154 WeakPolarHBondContact O-CG1 3.21Å; T150-I154 PolarHBondContact O-N 3.41Å; K151-I154 PolarHBondContact O-N 3.16Å; K151-I154 VanDerWaalsContact O-N 3.14Å; A152-I154 VanDerWaalsContact C-N 3.34Å; A152-I154 PolarHBondContact O-N 2.81Å; I154-E156 VanDerWaalsContact C-N 3.34Å; I154-T157 PolarHBondContact O-N 3.11Å; I154-W161 HydrophobicContact CB-CZ2 4.21Å; I154-W161 HydrophobicContact CD1-CH2 4.12Å; I154-W161 HydrophobicContact CG1-CH2 3.96Å; I154-W161 HydrophobicContact CG1-CZ2 3.96Å; I154-W161 HydrophobicContact CG2-CH2 4.08Å; I154-W161 HydrophobicContact CG2-CZ2 3.54Å; I154-L169 HydrophobicContact CG2-CD1 4.14Å; I154-I171 HydrophobicContact CD1-CD1 3.49Å; I154-I171 VanDerWaalsContact CD1-CD1 3.49Å; I154-L199 HydrophobicContact CG1-CD2 4.15Å; I154-L203 HydrophobicContact CG1-CD1 4.28Å
155E92.6Very high89.5Confident58 Ų5853.9 Ų53.927%0.27130%0.297SS..Hα-helixtrans-72.2-26.8177.4-67.8-178.7157.900112.4V121 V124 K151 A152V121-E155 WeakPolarHBondContact CG1-O 3.39Å; V124-E155 HydrophobicContact CB-CG 4.16Å; V124-E155 HydrophobicContact CG2-CG 3.78Å; V124-E155 PolarHBondContact N-OE1 3.41Å; K151-E155 VanDerWaalsContact CE-OE2 3.31Å; K151-E155 WeakPolarHBondContact CE-OE2 3.44Å; K151-E155 HydrophobicContact CG-CG 4.42Å; K151-E155 WeakPolarHBondContact CG-OE2 3.47Å; K151-E155 IonicContact NZ-OE1 2.72Å; K151-E155 PolarHBondContact NZ-OE1 2.96Å; K151-E155 IonicContact NZ-OE2 2.65Å; K151-E155 PolarHBondContact NZ-OE2 3.1Å; K151-E155 WeakPolarHBondContact O-CB 3.4Å; K151-E155 WeakPolarHBondContact O-CG 3.49Å; K151-E155 PolarHBondContact O-N 3.22Å; A152-E155 PolarHBondContact O-N 2.9Å
156E92.1Very high89.1Confident133 Ų13354.2 Ų54.262%0.62130%0.298SS*.THydrogen-bonded Turntrans-81.6-12.6174.4-159.8-145.5142.100113.2A152 I154 K202A152-E156 WeakPolarHBondContact O-CB 3.3Å; A152-E156 PolarHBondContact O-N 2.83Å; I154-E156 VanDerWaalsContact C-N 3.34Å; E156-K202 IonicContact OE1-NZ 2.75Å; E156-K202 PolarHBondContact OE1-NZ 3.41Å; E156-K202 IonicContact OE2-NZ 2.84Å; E156-K202 PolarHBondContact OE2-NZ 3.18Å
157T90Very high89Confident10 Ų1052.3 Ų52.36%0.06129%0.285CS..SBendtrans-125.994.9-169.5-470000111.8I153 I154 A159 A198 L199 K202I153-T157 VanDerWaalsContact O-CB 3.23Å; I153-T157 WeakPolarHBondContact O-CB 3.45Å; I153-T157 PolarHBondContact O-N 2.91Å; I153-T157 PolarHBondContact O-OG1 2.95Å; I154-T157 PolarHBondContact O-N 3.11Å; T157-A159 PolarHBondContact O-N 3.19Å; T157-A198 HydrophobicContact CG2-CB 3.77Å; T157-L199 HydrophobicContact CG2-CD2 4.04Å; T157-L199 HydrophobicContact CG2-CG 3.88Å; T157-K202 WeakPolarHBondContact OG1-CD 3.28Å; T157-K202 PolarHBondContact OG1-NZ 3.28Å
158P88.3Confident88.9Confident67 Ų6755.3 Ų55.344%0.43530%0.3SS..  trans-59.7134.8177.2-19.229.1000112.1N119 V121N119-P158 HydrophobicContact CB-CB 4.15Å; V121-P158 HydrophobicContact CG2-CB 4.12Å; V121-P158 HydrophobicContact CG2-CG 3.76Å
159A88.2Confident88.8Confident1 Ų150.1 Ų50.11%0.00827%0.272CS..BIsolated β-bridgetrans-156.3168.1-178.200000111V120 T157 W161 A193 L199V120-A159 PolarHBondContact N-O 2.78Å; V120-A159 VanDerWaalsContact N-O 3.12Å; V120-A159 PolarHBondContact O-N 2.8Å; T157-A159 PolarHBondContact O-N 3.19Å; A159-W161 HydrophobicContact CB-CZ2 4.47Å; A159-W161 PolarHBondContact O-N 3.06Å; A159-A193 HydrophobicContact CB-CB 4.22Å; A159-L199 HydrophobicContact CB-CD1 3.4Å; A159-L199 VanDerWaalsContact CB-CD1 3.4Å
160P88.4Confident88.8Confident24 Ų2450.2 Ų50.216%0.15627%0.271CS..SBendtrans-79.660-175.933.5-37.8000112.6P117 N119 S189P117-P160 HydrophobicContact CB-CB 3.91Å; N119-P160 WeakPolarHBondContact OD1-CD 3.4Å; P160-S189 PolarHBondContact O-OG 2.92Å
161W88.4Confident88.9Confident0 Ų050.2 Ų50.20%027%0.271CS..  trans-68.4-48.5-178.2-59104000112.5V120 P122 I154 A159 C167 L169 M180 A185 S189 L190 A193 L194 L199V120-W161 HydrophobicContact CG2-CB 4.31Å; P122-W161 HydrophobicContact CB-CG 4.4Å; P122-W161 HydrophobicContact CG-CD2 4.3Å; P122-W161 HydrophobicContact CG-CG 4.06Å; I154-W161 HydrophobicContact CB-CZ2 4.21Å; I154-W161 HydrophobicContact CD1-CH2 4.12Å; I154-W161 HydrophobicContact CG1-CH2 3.96Å; I154-W161 HydrophobicContact CG1-CZ2 3.96Å; I154-W161 HydrophobicContact CG2-CH2 4.08Å; I154-W161 HydrophobicContact CG2-CZ2 3.54Å; A159-W161 HydrophobicContact CB-CZ2 4.47Å; A159-W161 PolarHBondContact O-N 3.06Å; W161-C167 WeakPolarHBondContact CB-SG 3.18Å; W161-L169 HydrophobicContact CD2-CD1 3.89Å; W161-L169 HydrophobicContact CE3-CD1 3.77Å; W161-L169 HydrophobicContact CG-CD1 4.32Å; W161-L169 HydrophobicContact CZ3-CD1 4.18Å; W161-M180 HydrophobicContact CE3-CE 4.28Å; W161-M180 HydrophobicContact CE3-SD 4.4Å; W161-M180 HydrophobicContact CZ3-CE 3.72Å; W161-M180 HydrophobicContact CZ3-SD 3.8Å; W161-A185 WeakPolarHBondContact O-CB 3.39Å; W161-S189 PolarHBondContact O-OG 3.16Å; W161-L190 HydrophobicContact CE3-CD2 4.26Å; W161-A193 HydrophobicContact CD2-CB 3.66Å; W161-A193 HydrophobicContact CE3-CB 3.43Å; W161-A193 VanDerWaalsContact CE3-CB 3.43Å; W161-A193 HydrophobicContact CG-CB 4.18Å; W161-A193 HydrophobicContact CH2-CB 4.42Å; W161-A193 HydrophobicContact CZ3-CB 3.83Å; W161-L194 HydrophobicContact CH2-CD2 4.08Å; W161-L194 HydrophobicContact CH2-CG 4.41Å; W161-L194 HydrophobicContact CZ3-CD2 4.26Å; W161-L194 HydrophobicContact CZ3-CG 4.14Å; W161-L199 HydrophobicContact CH2-CD1 3.7Å; W161-L199 HydrophobicContact CH2-CD2 4.29Å; W161-L199 HydrophobicContact CZ2-CD1 3.25Å; W161-L199 HydrophobicContact CZ2-CD2 3.82Å; W161-L199 HydrophobicContact CZ2-CG 4.18Å
162C86.1Confident88.9Confident3 Ų349 Ų492%0.0227%0.266CS..  trans-130.9161.2-177.3-62.70000111.4S164 C167C162-S164 VanDerWaalsContact C-N 3.31Å; C162-C167 HydrophobicContact CB-CB 3.53Å; C162-C167 WeakPolarHBondContact CB-SG 3.43Å; C162-C167 WeakPolarHBondContact SG-CA 3.1Å; C162-C167 WeakPolarHBondContact SG-CB 3.45Å; C162-C167 CovalentContact SG-SG 2.02Å; C162-C167 PolarHBondContact SG-SG 3.04Å
163S81.9Confident88.9Confident93 Ų9347.7 Ų47.765%0.6525%0.25SS*.SBendtrans-85.5-4.8173.5-51.10000113.8K115K115-S163 PolarHBondContact NZ-O 3.44Å
164S80.6Confident88.8Confident42 Ų4250.9 Ų50.929%0.29427%0.265SS..SBendtrans-114.3153.4-176.445.90000111.9C162 K166C162-S164 VanDerWaalsContact C-N 3.31Å; S164-K166 WeakPolarHBondContact CB-O 3.33Å; S164-K166 PolarHBondContact O-N 2.84Å; S164-K166 PolarHBondContact OG-O 2.94Å
165D77.6Confident88.6Confident132 Ų13258.4 Ų58.471%0.70630%0.297SS*.SBendtrans-71.9-15.2-178-43.1-35.6000113
166K81.9Confident88.6Confident172 Ų17258.3 Ų58.375%0.74830%0.299SS*.  trans-106.6134.6166.7-61.4-177.8-177.4-179.10108.2S164S164-K166 WeakPolarHBondContact CB-O 3.33Å; S164-K166 PolarHBondContact O-N 2.84Å; S164-K166 PolarHBondContact OG-O 2.94Å
167C88.6Confident88.6Confident2 Ų255.7 Ų55.71%0.01429%0.289CS..  trans-150.896.8-173.6-1710000108.9V120 P122 T123 W161 C162V120-C167 HydrophobicContact CG2-CB 4.13Å; P122-C167 CarbonylContact C-O 3.54Å; P122-C167 VanDerWaalsContact CA-O 3.23Å; P122-C167 WeakPolarHBondContact CA-O 3.37Å; P122-C167 HydrophobicContact CB-CB 4.12Å; P122-C167 VanDerWaalsContact CB-O 3.3Å; P122-C167 WeakPolarHBondContact CB-O 3.38Å; T123-C167 PolarHBondContact N-O 3.22Å; W161-C167 WeakPolarHBondContact CB-SG 3.18Å; C162-C167 HydrophobicContact CB-CB 3.53Å; C162-C167 WeakPolarHBondContact CB-SG 3.43Å; C162-C167 WeakPolarHBondContact SG-CA 3.1Å; C162-C167 WeakPolarHBondContact SG-CB 3.45Å; C162-C167 CovalentContact SG-SG 2.02Å; C162-C167 PolarHBondContact SG-SG 3.04Å
168D90.6Very high88.7Confident86 Ų8655.3 Ų55.346%0.4629%0.286SS..EExtended strand (participates in β ladder)trans-94.7124.3-178.8-68-16.6000109.9T123 S182 D184T123-D168 WeakPolarHBondContact CB-OD1 3.04Å; D168-S182 WeakPolarHBondContact O-CB 3.03Å; D168-S182 PolarHBondContact O-OG 2.86Å; D168-D184 PolarHBondContact N-OD2 2.88Å
169L91.9Very high88.9Confident1 Ų152.9 Ų52.91%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-113.9120.9-179.6-62.1-176.2000110.3P122 T123 V124 V125 I154 W161 M180 L190P122-L169 HydrophobicContact CB-CD1 3.53Å; P122-L169 HydrophobicContact CB-CG 3.7Å; P122-L169 HydrophobicContact CG-CD1 3.52Å; P122-L169 HydrophobicContact CG-CG 4.26Å; T123-L169 PolarHBondContact O-N 3.2Å; V124-L169 WeakPolarHBondContact CA-O 3.5Å; V124-L169 HydrophobicContact CG2-CB 4.33Å; V124-L169 HydrophobicContact CG2-CD1 4.45Å; V125-L169 PolarHBondContact N-O 2.63Å; I154-L169 HydrophobicContact CG2-CD1 4.14Å; W161-L169 HydrophobicContact CD2-CD1 3.89Å; W161-L169 HydrophobicContact CE3-CD1 3.77Å; W161-L169 HydrophobicContact CG-CD1 4.32Å; W161-L169 HydrophobicContact CZ3-CD1 4.18Å; L169-M180 HydrophobicContact CD1-SD 4.04Å; L169-M180 HydrophobicContact CD2-SD 4.48Å; L169-L190 HydrophobicContact CD2-CD2 3.44Å; L169-L190 VanDerWaalsContact CD2-CD2 3.44Å
170K93.4Very high89.1Confident87 Ų8752.8 Ų52.838%0.37827%0.269SS..EExtended strand (participates in β ladder)trans-93.9125.7168.9-71.2-169.5172.5-154.90109.3V125 V127 E131 I132 M180 T181V125-K170 WeakPolarHBondContact O-CA 3.47Å; V127-K170 HydrophobicContact CG1-CB 4.42Å; V127-K170 HydrophobicContact CG1-CD 4.15Å; V127-K170 HydrophobicContact CG1-CG 4.18Å; V127-K170 HydrophobicContact CG2-CB 4.01Å; E131-K170 IonicContact OE2-NZ 2.91Å; E131-K170 PolarHBondContact OE2-NZ 2.98Å; E131-K170 VanDerWaalsContact OE2-NZ 3.14Å; I132-K170 HydrophobicContact CD1-CB 4.18Å; K170-M180 WeakPolarHBondContact O-CA 3.25Å; K170-T181 HydrophobicContact CB-CG2 3.88Å; K170-T181 PolarHBondContact N-O 3.45Å; K170-T181 PolarHBondContact O-N 2.96Å
171I94.1Very high89.2Confident0 Ų052.6 Ų52.60%027%0.267CS..EExtended strand (participates in β ladder)trans-124129.5178.9-55.7-175.3000109.7V124 V125 C126 V127 T150 I154 I178 L179 M180V124-I171 HydrophobicContact CG1-CB 4.46Å; V124-I171 HydrophobicContact CG1-CD1 3.55Å; V124-I171 HydrophobicContact CG1-CG1 3.92Å; V125-I171 PolarHBondContact O-N 3.39Å; C126-I171 WeakPolarHBondContact CA-O 3.44Å; V127-I171 PolarHBondContact N-O 2.68Å; T150-I171 HydrophobicContact CG2-CD1 4.35Å; I154-I171 HydrophobicContact CD1-CD1 3.49Å; I154-I171 VanDerWaalsContact CD1-CD1 3.49Å; I171-I178 HydrophobicContact CG2-CB 4.31Å; I171-I178 HydrophobicContact CG2-CG2 4.33Å; I171-L179 WeakPolarHBondContact CA-O 3.44Å; I171-M180 HydrophobicContact CD1-CG 4.48Å; I171-M180 HydrophobicContact CD1-SD 4.35Å; I171-M180 HydrophobicContact CG1-CB 4.36Å; I171-M180 HydrophobicContact CG1-CG 4.01Å
172F93.4Very high89.3Confident34 Ų3453.4 Ų53.415%0.14927%0.273CS..EExtended strand (participates in β ladder)trans-110.6136.7162.3168-103.9000108.2V127 K129 I132 E174 I178 L179V127-F172 WeakPolarHBondContact O-CD2 3.23Å; K129-F172 HydrophobicContact CB-CD1 4.15Å; K129-F172 HydrophobicContact CB-CD2 4.12Å; K129-F172 HydrophobicContact CB-CE1 3.86Å; K129-F172 HydrophobicContact CB-CE2 3.83Å; K129-F172 HydrophobicContact CB-CG 4.27Å; K129-F172 HydrophobicContact CB-CZ 3.69Å; K129-F172 HydrophobicContact CD-CE1 4.14Å; K129-F172 HydrophobicContact CD-CZ 4.38Å; K129-F172 HydrophobicContact CG-CD1 4.25Å; K129-F172 HydrophobicContact CG-CE1 3.94Å; K129-F172 HydrophobicContact CG-CZ 4.23Å; I132-F172 HydrophobicContact CD1-CB 3.85Å; F172-E174 HydrophobicContact CE1-CB 3.84Å; F172-E174 HydrophobicContact CZ-CB 3.91Å; F172-I178 CarbonylContact O-C 3.56Å; F172-I178 WeakPolarHBondContact O-CA 3.45Å; F172-L179 HydrophobicContact CD1-CD1 3.74Å; F172-L179 HydrophobicContact CE1-CD1 4.22Å; F172-L179 PolarHBondContact N-O 3.11Å; F172-L179 PolarHBondContact O-N 2.62Å
173Q93.4Very high89.2Confident25 Ų2559.1 Ų59.112%0.11731%0.313CS..EExtended strand (participates in β ladder)trans-126.7123.5178.3-175.7161.3-11.700111.1T144 S146 C147 T150 K175 N177 I178T144-Q173 PolarHBondContact O-NE2 3.26Å; T144-Q173 VanDerWaalsContact O-NE2 3.11Å; T144-Q173 PolarHBondContact OG1-NE2 3.31Å; S146-Q173 PolarHBondContact O-OE1 2.9Å; C147-Q173 HydrophobicContact CB-CB 3.98Å; T150-Q173 PolarHBondContact OG1-OE1 3.06Å; Q173-K175 PolarHBondContact NE2-O 3.4Å; Q173-N177 WeakPolarHBondContact CA-O 3.48Å; Q173-I178 HydrophobicContact CB-CG2 3.89Å; Q173-I178 HydrophobicContact CG-CG2 3.7Å
174E90.6Very high89.3Confident99 Ų9958.5 Ų58.546%0.46330%0.303SS..EExtended strand (participates in β ladder)trans-114.3102.4170.3-172.9174.4-163.300109.4F172 N176 N177F172-E174 HydrophobicContact CE1-CB 3.84Å; F172-E174 HydrophobicContact CZ-CB 3.91Å; E174-N176 PolarHBondContact O-N 3.46Å; E174-N177 PolarHBondContact N-O 2.95Å; E174-N177 PolarHBondContact O-N 2.85Å
175K89.5Confident89.4Confident158 Ų15857.3 Ų57.369%0.68730%0.295SS*.THydrogen-bonded Turntrans57.8-101.8-175.2-55.1163.4-175.4163.80110.6Q173Q173-K175 PolarHBondContact NE2-O 3.4Å
176N91.4Very high89.8Confident56 Ų5658.8 Ų58.830%0.29930%0.295SS..THydrogen-bonded Turntrans-105.2-5.9-178.7-72.188.7000113.1Q141 V142 E174Q141-N176 CarbonylContact C-O 3.57Å; Q141-N176 VanDerWaalsContact CA-O 3.3Å; Q141-N176 WeakPolarHBondContact CA-O 3.37Å; Q141-N176 HydrophobicContact CG-CB 4.31Å; V142-N176 WeakPolarHBondContact CG2-O 3.5Å; V142-N176 PolarHBondContact N-O 2.99Å; V142-N176 WeakPolarHBondContact O-CB 3.22Å; V142-N176 PolarHBondContact O-ND2 3.25Å; E174-N176 PolarHBondContact O-N 3.46Å
177N91.6Very high90.1Very high77 Ų7753.2 Ų53.241%0.41227%0.273SS..EExtended strand (participates in β ladder)trans-100.7126.6179.2-54.5-57.6000109.2A140 Q141 Q173 E174A140-N177 CarbonylContact O-C 3.54Å; A140-N177 WeakPolarHBondContact O-CA 3.41Å; Q141-N177 PolarHBondContact NE2-OD1 3.39Å; Q173-N177 WeakPolarHBondContact CA-O 3.48Å; E174-N177 PolarHBondContact N-O 2.95Å; E174-N177 PolarHBondContact O-N 2.85Å
178I93.6Very high90Very high2 Ų257 Ų571%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-105.4143172.459167.3000110.1K139 A140 V142 T150 I171 F172 Q173K139-I178 WeakPolarHBondContact CA-O 3.43Å; A140-I178 HydrophobicContact CB-CD1 4.12Å; A140-I178 HydrophobicContact CB-CG1 3.82Å; A140-I178 PolarHBondContact N-O 2.8Å; A140-I178 WeakPolarHBondContact O-CG1 3.46Å; A140-I178 PolarHBondContact O-N 2.93Å; V142-I178 HydrophobicContact CG1-CD1 3.78Å; V142-I178 HydrophobicContact CG1-CG1 4.08Å; V142-I178 HydrophobicContact CG1-CG2 4.44Å; V142-I178 HydrophobicContact CG2-CG2 3.75Å; T150-I178 HydrophobicContact CG2-CG2 4.36Å; I171-I178 HydrophobicContact CG2-CB 4.31Å; I171-I178 HydrophobicContact CG2-CG2 4.33Å; F172-I178 CarbonylContact O-C 3.56Å; F172-I178 WeakPolarHBondContact O-CA 3.45Å; Q173-I178 HydrophobicContact CB-CG2 3.89Å; Q173-I178 HydrophobicContact CG-CG2 3.7Å
179L92.5Very high89.9Confident16 Ų1654.1 Ų54.18%0.08429%0.286CS..EExtended strand (participates in β ladder)trans-111.4124160.5-71.1101000107.7I132 E134 A137 V138 K139 I171 F172I132-L179 WeakPolarHBondContact CD1-O 3.48Å; I132-L179 HydrophobicContact CG2-CB 4.04Å; E134-L179 HydrophobicContact CB-CD2 4.3Å; E134-L179 HydrophobicContact CG-CD2 3.93Å; A137-L179 HydrophobicContact CB-CB 4.3Å; A137-L179 HydrophobicContact CB-CD2 4.23Å; V138-L179 WeakPolarHBondContact O-CA 3.44Å; K139-L179 HydrophobicContact CG-CD2 4Å; K139-L179 HydrophobicContact CG-CG 4.08Å; I171-L179 WeakPolarHBondContact CA-O 3.44Å; F172-L179 HydrophobicContact CD1-CD1 3.74Å; F172-L179 HydrophobicContact CE1-CD1 4.22Å; F172-L179 PolarHBondContact N-O 3.11Å; F172-L179 PolarHBondContact O-N 2.62Å
180M91.5Very high89.7Confident0 Ų054.1 Ų54.10%029%0.286CS..EExtended strand (participates in β ladder)trans-122131.3179.9-177.3177.668.500110.4A137 V138 W161 L169 K170 I171 L190 L194A137-M180 CarbonylContact C-O 3.48Å; A137-M180 VanDerWaalsContact CA-O 3.3Å; A137-M180 WeakPolarHBondContact CA-O 3.41Å; V138-M180 PolarHBondContact N-O 2.97Å; V138-M180 PolarHBondContact O-N 2.96Å; W161-M180 HydrophobicContact CE3-CE 4.28Å; W161-M180 HydrophobicContact CE3-SD 4.4Å; W161-M180 HydrophobicContact CZ3-CE 3.72Å; W161-M180 HydrophobicContact CZ3-SD 3.8Å; L169-M180 HydrophobicContact CD1-SD 4.04Å; L169-M180 HydrophobicContact CD2-SD 4.48Å; K170-M180 WeakPolarHBondContact O-CA 3.25Å; I171-M180 HydrophobicContact CD1-CG 4.48Å; I171-M180 HydrophobicContact CD1-SD 4.35Å; I171-M180 HydrophobicContact CG1-CB 4.36Å; I171-M180 HydrophobicContact CG1-CG 4.01Å; M180-L190 HydrophobicContact CE-CB 3.66Å; M180-L190 HydrophobicContact CE-CD2 3.68Å; M180-L190 HydrophobicContact CE-CG 4.14Å; M180-L190 HydrophobicContact SD-CD2 4.33Å; M180-L194 HydrophobicContact CE-CD1 3.77Å; M180-L194 HydrophobicContact CE-CG 3.92Å
181T91.3Very high89.6Confident19 Ų1950.5 Ų50.512%0.11727%0.272CS..EExtended strand (participates in β ladder)trans-135.8158.7174.2-166.50000110.2I132 S136 K170I132-T181 HydrophobicContact CB-CG2 4.48Å; I132-T181 HydrophobicContact CD1-CG2 4.14Å; I132-T181 HydrophobicContact CG1-CG2 4.01Å; I132-T181 HydrophobicContact CG2-CG2 3.99Å; S136-T181 WeakPolarHBondContact O-CB 3.13Å; S136-T181 PolarHBondContact O-OG1 2.8Å; K170-T181 HydrophobicContact CB-CG2 3.88Å; K170-T181 PolarHBondContact N-O 3.45Å; K170-T181 PolarHBondContact O-N 2.96Å
182S89.4Confident89.4Confident18 Ų1856.7 Ų56.713%0.12630%0.3CS..EExtended strand (participates in β ladder)trans-146.6147.5178.4-174.50000109D168 D184 A185D168-S182 WeakPolarHBondContact O-CB 3.03Å; D168-S182 PolarHBondContact O-OG 2.86Å; S182-D184 PolarHBondContact OG-N 2.76Å; S182-A185 PolarHBondContact OG-N 2.82Å
183S84.2Confident89.3Confident122 Ų12255 Ų5585%0.85329%0.293SS*.SBendtrans-83.6-25171.4-61.50000112.2
184D83.3Confident89.1Confident81 Ų8153.9 Ų53.943%0.43329%0.288SS..SBendtrans-103.2-12.7-171.8-47.7-65000113.4D168 S182D168-D184 PolarHBondContact N-OD2 2.88Å; S182-D184 PolarHBondContact OG-N 2.76Å
185A84.6Confident89.1Confident16 Ų1654.6 Ų54.613%0.13229%0.289CS..SBendtrans-112.6143.2-178.700000113.8W161 S182 L190W161-A185 WeakPolarHBondContact O-CB 3.39Å; S182-A185 PolarHBondContact OG-N 2.82Å; A185-L190 HydrophobicContact CB-CD1 4.21Å; A185-L190 HydrophobicContact CB-CD2 3.75Å; A185-L190 HydrophobicContact CB-CG 3.74Å
186K85.9Confident89.2Confident164 Ų16449.5 Ų49.571%0.71327%0.272SS*.  trans-71.7143165.7-65.2177.5-178.51750109.9S188 S189 L190K186-S188 PolarHBondContact O-N 2.83Å; K186-S189 WeakPolarHBondContact O-CB 3.42Å; K186-S189 PolarHBondContact O-N 3.29Å; K186-L190 PolarHBondContact O-N 2.81Å; K186-L190 VanDerWaalsContact O-N 3.16Å
187L87.9Confident89.1Confident55 Ų5551.7 Ų51.729%0.28828%0.28SS..Hα-helixtrans-51.8-32.2175-66.9173.9000113.1V138 L190 V191 V210V138-L187 HydrophobicContact CG2-CB 4.43Å; V138-L187 HydrophobicContact CG2-CD2 3.75Å; L187-L190 HydrophobicContact CD2-CD1 4.36Å; L187-V191 WeakPolarHBondContact O-CG2 3.49Å; L187-V191 PolarHBondContact O-N 2.68Å; L187-V210 HydrophobicContact CB-CG1 4.19Å
188S85.6Confident89Confident81 Ų8150.6 Ų50.657%0.56628%0.281SS*.Hα-helixtrans-64.8-45.117454.30000113.1K186 V191 E192K186-S188 PolarHBondContact O-N 2.83Å; S188-V191 PolarHBondContact O-N 2.71Å; S188-E192 WeakPolarHBondContact O-CB 3.42Å; S188-E192 PolarHBondContact O-N 2.73Å
189S88.3Confident88.9Confident26 Ų2650.5 Ų50.518%0.18228%0.281CS..Hα-helixtrans-64.2-42.5179.2-146.40000111P160 W161 K186 V191 E192 A193P160-S189 PolarHBondContact O-OG 2.92Å; W161-S189 PolarHBondContact O-OG 3.16Å; K186-S189 WeakPolarHBondContact O-CB 3.42Å; K186-S189 PolarHBondContact O-N 3.29Å; S189-V191 VanDerWaalsContact C-N 3.28Å; S189-V191 PolarHBondContact O-N 2.82Å; S189-E192 PolarHBondContact O-N 3.28Å; S189-A193 WeakPolarHBondContact O-CB 3.24Å; S189-A193 PolarHBondContact O-N 3.33Å
190L89.1Confident88.8Confident1 Ų153.3 Ų53.31%0.00529%0.293CS..Hα-helixtrans-58.5-38.9175-69.4173.9000112.5V138 W161 L169 M180 A185 K186 L187 L194V138-L190 HydrophobicContact CG2-CB 3.9Å; V138-L190 HydrophobicContact CG2-CD1 4.3Å; W161-L190 HydrophobicContact CE3-CD2 4.26Å; L169-L190 HydrophobicContact CD2-CD2 3.44Å; L169-L190 VanDerWaalsContact CD2-CD2 3.44Å; M180-L190 HydrophobicContact CE-CB 3.66Å; M180-L190 HydrophobicContact CE-CD2 3.68Å; M180-L190 HydrophobicContact CE-CG 4.14Å; M180-L190 HydrophobicContact SD-CD2 4.33Å; A185-L190 HydrophobicContact CB-CD1 4.21Å; A185-L190 HydrophobicContact CB-CD2 3.75Å; A185-L190 HydrophobicContact CB-CG 3.74Å; K186-L190 PolarHBondContact O-N 2.81Å; K186-L190 VanDerWaalsContact O-N 3.16Å; L187-L190 HydrophobicContact CD2-CD1 4.36Å; L190-L194 WeakPolarHBondContact O-CB 3.42Å; L190-L194 WeakPolarHBondContact O-CG 3.37Å; L190-L194 PolarHBondContact O-N 3.05Å; L190-L194 VanDerWaalsContact O-N 3.12Å
191V90.3Very high88.8Confident11 Ų1158.1 Ų58.17%0.06732%0.318CS..Hα-helixtrans-74.2-38.2178.5168.90000111.9V138 L187 S188 S189 K195 V208 V210V138-V191 HydrophobicContact CB-CG2 4.37Å; V138-V191 HydrophobicContact CG1-CG2 3.59Å; V138-V191 HydrophobicContact CG2-CG2 3.78Å; L187-V191 WeakPolarHBondContact O-CG2 3.49Å; L187-V191 PolarHBondContact O-N 2.68Å; S188-V191 PolarHBondContact O-N 2.71Å; S189-V191 VanDerWaalsContact C-N 3.28Å; S189-V191 PolarHBondContact O-N 2.82Å; V191-K195 HydrophobicContact CG1-CD 3.92Å; V191-K195 WeakPolarHBondContact O-CB 3.3Å; V191-K195 WeakPolarHBondContact O-CD 3.08Å; V191-K195 VanDerWaalsContact O-CG 3.22Å; V191-K195 WeakPolarHBondContact O-CG 3.41Å; V191-K195 PolarHBondContact O-N 3.03Å; V191-V208 HydrophobicContact CB-CG1 4.47Å; V191-V208 HydrophobicContact CG1-CG1 4.04Å; V191-V208 HydrophobicContact CG2-CG1 4.07Å; V191-V210 HydrophobicContact CB-CG2 4.44Å; V191-V210 HydrophobicContact CG1-CG2 4.26Å; V191-V210 HydrophobicContact CG2-CG1 4.45Å; V191-V210 HydrophobicContact CG2-CG2 3.46Å; V191-V210 VanDerWaalsContact CG2-CG2 3.46Å
192E89.6Confident88.8Confident129 Ų12960.9 Ų60.960%0.60333%0.329SS*.Hα-helixtrans-69.4-44177.6-172.6166.2-167.900111.6S188 S189 K195 T196S188-E192 WeakPolarHBondContact O-CB 3.42Å; S188-E192 PolarHBondContact O-N 2.73Å; S189-E192 PolarHBondContact O-N 3.28Å; E192-K195 PolarHBondContact O-N 2.91Å; E192-T196 PolarHBondContact O-N 3.06Å; E192-T196 VanDerWaalsContact O-N 3.09Å; E192-T196 PolarHBondContact O-OG1 2.76Å; E192-T196 VanDerWaalsContact O-OG1 3.12Å
193A90.9Very high88.9Confident0 Ų060 Ų600%032%0.323CS..Hα-helixtrans-57-51.9170.800000111.4A159 W161 S189 K195 T196 L199A159-A193 HydrophobicContact CB-CB 4.22Å; W161-A193 HydrophobicContact CD2-CB 3.66Å; W161-A193 HydrophobicContact CE3-CB 3.43Å; W161-A193 VanDerWaalsContact CE3-CB 3.43Å; W161-A193 HydrophobicContact CG-CB 4.18Å; W161-A193 HydrophobicContact CH2-CB 4.42Å; W161-A193 HydrophobicContact CZ3-CB 3.83Å; S189-A193 WeakPolarHBondContact O-CB 3.24Å; S189-A193 PolarHBondContact O-N 3.33Å; A193-K195 VanDerWaalsContact C-N 3.27Å; A193-K195 PolarHBondContact O-N 3.04Å; A193-T196 WeakPolarHBondContact O-CB 3.41Å; A193-T196 PolarHBondContact O-N 2.98Å; A193-T196 PolarHBondContact O-OG1 3.02Å; A193-L199 VanDerWaalsContact O-CD1 3.23Å; A193-L199 WeakPolarHBondContact O-CD1 3.19Å
194L90.6Very high89.2Confident0 Ų059.2 Ų59.20%031%0.309CS..Hα-helixtrans-56.4-37.9175.7-82.6177.9000113.5V138 A140 W161 M180 L190 T196 L203 L205 V208V138-L194 HydrophobicContact CG1-CD1 4.1Å; A140-L194 HydrophobicContact CB-CD1 4.06Å; W161-L194 HydrophobicContact CH2-CD2 4.08Å; W161-L194 HydrophobicContact CH2-CG 4.41Å; W161-L194 HydrophobicContact CZ3-CD2 4.26Å; W161-L194 HydrophobicContact CZ3-CG 4.14Å; M180-L194 HydrophobicContact CE-CD1 3.77Å; M180-L194 HydrophobicContact CE-CG 3.92Å; L190-L194 WeakPolarHBondContact O-CB 3.42Å; L190-L194 WeakPolarHBondContact O-CG 3.37Å; L190-L194 PolarHBondContact O-N 3.05Å; L190-L194 VanDerWaalsContact O-N 3.12Å; L194-T196 VanDerWaalsContact C-N 3.28Å; L194-T196 PolarHBondContact O-N 2.71Å; L194-L203 HydrophobicContact CD2-CD1 3.86Å; L194-L205 HydrophobicContact CB-CD2 4.04Å; L194-L205 VanDerWaalsContact O-CD2 3.27Å; L194-L205 WeakPolarHBondContact O-CD2 3.43Å; L194-V208 HydrophobicContact CD1-CG1 4.4Å
195K90.7Very high89.6Confident114 Ų11456.6 Ų56.650%0.49629%0.294SS..Hα-helixtrans-77-10.9179.8-75.5171.4-179.5174.30114V191 E192 A193 E197V191-K195 HydrophobicContact CG1-CD 3.92Å; V191-K195 WeakPolarHBondContact O-CB 3.3Å; V191-K195 WeakPolarHBondContact O-CD 3.08Å; V191-K195 VanDerWaalsContact O-CG 3.22Å; V191-K195 WeakPolarHBondContact O-CG 3.41Å; V191-K195 PolarHBondContact O-N 3.03Å; E192-K195 PolarHBondContact O-N 2.91Å; A193-K195 VanDerWaalsContact C-N 3.27Å; A193-K195 PolarHBondContact O-N 3.04Å; K195-E197 PolarHBondContact O-N 3.37Å
196T90.9Very high89.8Confident52 Ų5262.6 Ų62.632%0.31932%0.318SS..SBendtrans-59.1131.1175.5-61.40000109.8E192 A193 L194 A198 L199 K200E192-T196 PolarHBondContact O-N 3.06Å; E192-T196 VanDerWaalsContact O-N 3.09Å; E192-T196 PolarHBondContact O-OG1 2.76Å; E192-T196 VanDerWaalsContact O-OG1 3.12Å; A193-T196 WeakPolarHBondContact O-CB 3.41Å; A193-T196 PolarHBondContact O-N 2.98Å; A193-T196 PolarHBondContact O-OG1 3.02Å; L194-T196 VanDerWaalsContact C-N 3.28Å; L194-T196 PolarHBondContact O-N 2.71Å; T196-A198 HydrophobicContact CG2-CB 4.48Å; T196-A198 PolarHBondContact O-N 3.34Å; T196-L199 PolarHBondContact O-N 3.22Å; T196-K200 WeakPolarHBondContact O-CB 3.3Å; T196-K200 PolarHBondContact O-N 3.34Å
197E90.3Very high89.9Confident102 Ų10259.5 Ų59.548%0.47731%0.309SS..Hα-helixtrans-54.9-33.6-171.5-69.4-61146.300113.6K195 L199 K200 N201K195-E197 PolarHBondContact O-N 3.37Å; E197-L199 PolarHBondContact O-N 3Å; E197-K200 IonicContact OE1-NZ 3.14Å; E197-K200 PolarHBondContact OE1-NZ 2.92Å; E197-K200 IonicContact OE2-NZ 2.62Å; E197-K200 PolarHBondContact OE2-NZ 2.91Å; E197-N201 VanDerWaalsContact O-CB 3.29Å; E197-N201 WeakPolarHBondContact O-CB 3.44Å; E197-N201 VanDerWaalsContact O-CG 3.31Å; E197-N201 PolarHBondContact O-N 3.46Å; E197-N201 PolarHBondContact O-ND2 3.15Å; E197-N201 PolarHBondContact OE2-ND2 3.39Å; E197-N201 VanDerWaalsContact OE2-ND2 3.15Å
198A88.9Confident89.8Confident53 Ų5358 Ų5844%0.43830%0.302SS..Hα-helixtrans-59.4-46.8175.400000112.7T157 T196 K202T157-A198 HydrophobicContact CG2-CB 3.77Å; T196-A198 HydrophobicContact CG2-CB 4.48Å; T196-A198 PolarHBondContact O-N 3.34Å; A198-K202 PolarHBondContact O-N 3.5Å
199L90.9Very high89.8Confident0 Ų059 Ų590%030%0.301CS..Hα-helixtrans-77.6-45.2179.9-78.7160.8000111.9I153 I154 T157 A159 W161 A193 T196 E197 N201 K202 L203I153-L199 HydrophobicContact CG2-CD2 4.47Å; I154-L199 HydrophobicContact CG1-CD2 4.15Å; T157-L199 HydrophobicContact CG2-CD2 4.04Å; T157-L199 HydrophobicContact CG2-CG 3.88Å; A159-L199 HydrophobicContact CB-CD1 3.4Å; A159-L199 VanDerWaalsContact CB-CD1 3.4Å; W161-L199 HydrophobicContact CH2-CD1 3.7Å; W161-L199 HydrophobicContact CH2-CD2 4.29Å; W161-L199 HydrophobicContact CZ2-CD1 3.25Å; W161-L199 HydrophobicContact CZ2-CD2 3.82Å; W161-L199 HydrophobicContact CZ2-CG 4.18Å; A193-L199 VanDerWaalsContact O-CD1 3.23Å; A193-L199 WeakPolarHBondContact O-CD1 3.19Å; T196-L199 PolarHBondContact O-N 3.22Å; E197-L199 PolarHBondContact O-N 3Å; L199-N201 VanDerWaalsContact C-N 3.28Å; L199-N201 PolarHBondContact O-N 3.21Å; L199-K202 PolarHBondContact O-N 2.88Å; L199-L203 HydrophobicContact CB-CD1 4.4Å; L199-L203 HydrophobicContact CD2-CD1 4.17Å; L199-L203 WeakPolarHBondContact O-CB 3.29Å; L199-L203 WeakPolarHBondContact O-CG 3.44Å; L199-L203 PolarHBondContact O-N 3.38Å
200K91.2Very high89.5Confident76 Ų7660.9 Ų60.933%0.3331%0.311SS..Hα-helixtrans-53.1-44.2177.4173.7-178.1161.6-134.90112.2T196 E197 N204 L205T196-K200 WeakPolarHBondContact O-CB 3.3Å; T196-K200 PolarHBondContact O-N 3.34Å; E197-K200 IonicContact OE1-NZ 3.14Å; E197-K200 PolarHBondContact OE1-NZ 2.92Å; E197-K200 IonicContact OE2-NZ 2.62Å; E197-K200 PolarHBondContact OE2-NZ 2.91Å; K200-N204 WeakPolarHBondContact O-CA 3.29Å; K200-N204 PolarHBondContact O-N 3.48Å; K200-N204 VanDerWaalsContact O-N 3.11Å; K200-L205 HydrophobicContact CB-CB 4.48Å; K200-L205 HydrophobicContact CG-CB 4.3Å; K200-L205 PolarHBondContact O-N 3.01Å
201N91.2Very high88.7Confident101 Ų10162.1 Ų62.154%0.5432%0.319SS..Hα-helixtrans-76.5-42.6-179.9-67.8-52.5000112.4E197 L199 N204E197-N201 VanDerWaalsContact O-CB 3.29Å; E197-N201 WeakPolarHBondContact O-CB 3.44Å; E197-N201 VanDerWaalsContact O-CG 3.31Å; E197-N201 PolarHBondContact O-N 3.46Å; E197-N201 PolarHBondContact O-ND2 3.15Å; E197-N201 PolarHBondContact OE2-ND2 3.39Å; E197-N201 VanDerWaalsContact OE2-ND2 3.15Å; L199-N201 VanDerWaalsContact C-N 3.28Å; L199-N201 PolarHBondContact O-N 3.21Å; N201-N204 PolarHBondContact O-N 3.01Å; N201-N204 PolarHBondContact O-ND2 2.92Å
202K91.9Very high87.2Confident77 Ų7771 Ų7134%0.33536%0.357SS..Hα-helixtrans-65.5-46.1175.5-77.4-171169.5-172.30112.7I153 E156 T157 A198 L199 N204I153-K202 HydrophobicContact CG2-CB 3.55Å; I153-K202 HydrophobicContact CG2-CD 4.03Å; I153-K202 HydrophobicContact CG2-CG 4.47Å; E156-K202 IonicContact OE1-NZ 2.75Å; E156-K202 PolarHBondContact OE1-NZ 3.41Å; E156-K202 IonicContact OE2-NZ 2.84Å; E156-K202 PolarHBondContact OE2-NZ 3.18Å; T157-K202 WeakPolarHBondContact OG1-CD 3.28Å; T157-K202 PolarHBondContact OG1-NZ 3.28Å; A198-K202 PolarHBondContact O-N 3.5Å; L199-K202 PolarHBondContact O-N 2.88Å; K202-N204 PolarHBondContact O-N 2.95Å; K202-N204 PolarHBondContact O-ND2 2.88Å; K202-N204 VanDerWaalsContact O-ND2 3.13Å
203L90.5Very high85.5Confident0 Ų069.6 Ų69.60%036%0.362CS..THydrogen-bonded Turntrans-75.8-8.6179.3-65.8173.7000113.5V142 G143 T150 I153 I154 L194 L199 L205V142-L203 WeakPolarHBondContact CA-O 3.49Å; V142-L203 WeakPolarHBondContact CB-O 3.33Å; V142-L203 HydrophobicContact CG1-CB 4.11Å; G143-L203 PolarHBondContact N-O 3.16Å; T150-L203 HydrophobicContact CG2-CD2 4.02Å; I153-L203 HydrophobicContact CB-CD2 3.86Å; I153-L203 HydrophobicContact CD1-CD2 4.04Å; I153-L203 HydrophobicContact CG2-CD2 3.51Å; I153-L203 HydrophobicContact CG2-CG 3.74Å; I154-L203 HydrophobicContact CG1-CD1 4.28Å; L194-L203 HydrophobicContact CD2-CD1 3.86Å; L199-L203 HydrophobicContact CB-CD1 4.4Å; L199-L203 HydrophobicContact CD2-CD1 4.17Å; L199-L203 WeakPolarHBondContact O-CB 3.29Å; L199-L203 WeakPolarHBondContact O-CG 3.44Å; L199-L203 PolarHBondContact O-N 3.38Å; L203-L205 VanDerWaalsContact C-N 3.33Å; L203-L205 PolarHBondContact O-N 3.01Å
204N91.1Very high83.5Confident104 Ų10474 Ų7456%0.55639%0.392SS*.THydrogen-bonded Turntrans5251.7-175-70.2-98.6000111.5G143 K200 N201 K202 K206G143-N204 PolarHBondContact N-O 3.05Å; K200-N204 WeakPolarHBondContact O-CA 3.29Å; K200-N204 PolarHBondContact O-N 3.48Å; K200-N204 VanDerWaalsContact O-N 3.11Å; N201-N204 PolarHBondContact O-N 3.01Å; N201-N204 PolarHBondContact O-ND2 2.92Å; K202-N204 PolarHBondContact O-N 2.95Å; K202-N204 PolarHBondContact O-ND2 2.88Å; K202-N204 VanDerWaalsContact O-ND2 3.13Å; N204-K206 PolarHBondContact O-N 3.26Å
205L91Very high81.8Confident26 Ų2679 Ų7914%0.13642%0.419CS..  trans-73.8118.2-168.4-158.173.4000111.3A140 Q141 V142 L194 K200 L203 V208A140-L205 HydrophobicContact CB-CD1 3.99Å; Q141-L205 CarbonylContact O-C 3.55Å; Q141-L205 WeakPolarHBondContact O-CA 3.1Å; V142-L205 HydrophobicContact CG1-CD1 3.68Å; L194-L205 HydrophobicContact CB-CD2 4.04Å; L194-L205 VanDerWaalsContact O-CD2 3.27Å; L194-L205 WeakPolarHBondContact O-CD2 3.43Å; K200-L205 HydrophobicContact CB-CB 4.48Å; K200-L205 HydrophobicContact CG-CB 4.3Å; K200-L205 PolarHBondContact O-N 3.01Å; L203-L205 VanDerWaalsContact C-N 3.33Å; L203-L205 PolarHBondContact O-N 3.01Å; L205-V208 HydrophobicContact CD1-CG2 4.46Å; L205-V208 HydrophobicContact CD2-CG2 3.45Å; L205-V208 VanDerWaalsContact CD2-CG2 3.45Å; L205-V208 HydrophobicContact CG-CG2 3.93Å
206K89.9Confident80.1Confident143 Ų14377.3 Ų77.362%0.62242%0.418SS*.  trans-97-36.2-176.6-65.9-179.8179.8177.80113.8Q141 N204Q141-K206 HydrophobicContact CB-CB 4.29Å; Q141-K206 HydrophobicContact CG-CB 4.32Å; Q141-K206 HydrophobicContact CG-CD 4.41Å; Q141-K206 PolarHBondContact O-N 3.35Å; N204-K206 PolarHBondContact O-N 3.26Å
207N86.3Confident78.7Confident98 Ų9879.7 Ų79.752%0.52444%0.437SS..EExtended strand (participates in β ladder)trans-152151.6-177-125.3-47.8000110.9A140 Q141A140-N207 CarbonylContact C-O 3.51Å; A140-N207 VanDerWaalsContact CA-O 3.24Å; A140-N207 WeakPolarHBondContact CA-O 3.34Å; A140-N207 WeakPolarHBondContact CB-O 3.43Å; Q141-N207 HydrophobicContact CB-CB 4.33Å; Q141-N207 PolarHBondContact N-O 3.25Å
208V87.4Confident77.7Confident24 Ų2479.3 Ų79.315%0.14544%0.442CS..EExtended strand (participates in β ladder)trans-142.1103.2177-173.20000108.8V138 K139 A140 V191 L194 L205V138-V208 HydrophobicContact CG1-CG1 3.75Å; K139-V208 CarbonylContact O-C 3.57Å; K139-V208 WeakPolarHBondContact O-CA 3.3Å; A140-V208 HydrophobicContact CB-CB 4.49Å; A140-V208 HydrophobicContact CB-CG1 4.4Å; A140-V208 HydrophobicContact CB-CG2 4.13Å; V191-V208 HydrophobicContact CB-CG1 4.47Å; V191-V208 HydrophobicContact CG1-CG1 4.04Å; V191-V208 HydrophobicContact CG2-CG1 4.07Å; L194-V208 HydrophobicContact CD1-CG1 4.4Å; L205-V208 HydrophobicContact CD1-CG2 4.46Å; L205-V208 HydrophobicContact CD2-CG2 3.45Å; L205-V208 VanDerWaalsContact CD2-CG2 3.45Å; L205-V208 HydrophobicContact CG-CG2 3.93Å
209D85.4Confident76.8Confident103 Ų10384 Ų8455%0.55145%0.452SS*.EExtended strand (participates in β ladder)trans-99.3124.1176.2-78.4-59.2000110.2K139K139-D209 HydrophobicContact CB-CB 4.14Å; K139-D209 PolarHBondContact N-O 2.88Å; K139-D209 PolarHBondContact O-N 3.12Å
210V81.9Confident76.4Confident64 Ų6487.8 Ų87.839%0.38848%0.475SS..PPolyproline II helixtrans-95.2136.3171.8-160.10000107.6L187 V191 K212L187-V210 HydrophobicContact CB-CG1 4.19Å; V191-V210 HydrophobicContact CB-CG2 4.44Å; V191-V210 HydrophobicContact CG1-CG2 4.26Å; V191-V210 HydrophobicContact CG2-CG1 4.45Å; V191-V210 HydrophobicContact CG2-CG2 3.46Å; V191-V210 VanDerWaalsContact CG2-CG2 3.46Å; V210-K212 PolarHBondContact O-N 3.29Å
211P72.1Confident76Confident28 Ų2885.9 Ų85.918%0.18248%0.477CS..PPolyproline II helixtrans-51.6118.6163.7-23.333.4000107.9Q135 A137 S213Q135-P211 VanDerWaalsContact O-CB 3.25Å; Q135-P211 WeakPolarHBondContact O-CB 3.43Å; A137-P211 WeakPolarHBondContact O-CD 3.32Å; A137-P211 WeakPolarHBondContact O-CG 3.02Å; P211-S213 PolarHBondContact O-N 3.45Å
212K58Low75.7Confident197 Ų19785.9 Ų85.986%0.85748%0.48SS*.  trans-61.2114174.7-72.8177.6-178.9173.40106.2V210 S214V210-K212 PolarHBondContact O-N 3.29Å; K212-S214 PolarHBondContact O-N 2.92Å
213S53.6Low75.5Confident100 Ų10088.2 Ų88.270%0.69950%0.496SS*.  trans-58.589.3172.2-179.90000108.3P211 N215P211-S213 PolarHBondContact O-N 3.45Å; S213-N215 PolarHBondContact O-N 2.73Å; S213-N215 PolarHBondContact O-OD1 3.47Å; S213-N215 PolarHBondContact OG-OD1 2.99Å
214S49.4Very low75.5Confident91 Ų9191.9 Ų91.964%0.63652%0.518SS*.  trans-70.7103.3174.942.20000106.4K212 T216K212-S214 PolarHBondContact O-N 2.92Å; S214-T216 WeakPolarHBondContact CB-OG1 3.46Å; S214-T216 PolarHBondContact O-N 2.9Å; S214-T216 PolarHBondContact O-OG1 3.45Å; S214-T216 PolarHBondContact OG-OG1 3.13Å
215N54.4Low75.4Confident107 Ų10789.6 Ų89.657%0.57251%0.508SS*.  trans-70.953.3174.3-60.3-23.7000110.3S213 S217 V218S213-N215 PolarHBondContact O-N 2.73Å; S213-N215 PolarHBondContact O-OD1 3.47Å; S213-N215 PolarHBondContact OG-OD1 2.99Å; N215-S217 PolarHBondContact O-N 3.35Å; N215-V218 HydrophobicContact CB-CG2 4.49Å; N215-V218 PolarHBondContact O-N 2.87Å; N215-V218 VanDerWaalsContact O-N 3.15Å
216T56.8Low75.5Confident78 Ų7890.3 Ų90.348%0.47952%0.521SS..Hα-helixtrans-62.3-29.5-171.4-35.70000110.9S214 V218 F219 V220S214-T216 WeakPolarHBondContact CB-OG1 3.46Å; S214-T216 PolarHBondContact O-N 2.9Å; S214-T216 PolarHBondContact O-OG1 3.45Å; S214-T216 PolarHBondContact OG-OG1 3.13Å; T216-V218 VanDerWaalsContact C-N 3.3Å; T216-V218 PolarHBondContact O-N 3.21Å; T216-F219 PolarHBondContact O-N 3.49Å; T216-V220 WeakPolarHBondContact O-CG2 3.32Å; T216-V220 PolarHBondContact O-N 2.91Å
217S60.3Low75.7Confident102 Ų10288.7 Ų88.771%0.71352%0.519SS*.Hα-helixtrans-54.3-41.9174.9-170.70000112.9N215 F219 V220 G221N215-S217 PolarHBondContact O-N 3.35Å; S217-F219 PolarHBondContact O-N 3.22Å; S217-V220 PolarHBondContact O-N 3.41Å; S217-G221 PolarHBondContact O-N 2.9Å
218V68.6Low75.9Confident94 Ų9489.5 Ų89.557%0.5752%0.523SS*.Hα-helixtrans-67.1-41.2-179.7-173.80000111N215 T216 G221 V222N215-V218 HydrophobicContact CB-CG2 4.49Å; N215-V218 PolarHBondContact O-N 2.87Å; N215-V218 VanDerWaalsContact O-N 3.15Å; T216-V218 VanDerWaalsContact C-N 3.3Å; T216-V218 PolarHBondContact O-N 3.21Å; V218-G221 PolarHBondContact O-N 3.4Å; V218-V222 WeakPolarHBondContact O-CG2 3.28Å; V218-V222 PolarHBondContact O-N 3.33Å
219F71.4Confident76.1Confident152 Ų15291.1 Ų91.167%0.66754%0.539SS*.Hα-helixtrans-66.3-39.4176.4-72.5-78.6000112.4T216 S217 V222 L223T216-F219 PolarHBondContact O-N 3.49Å; S217-F219 PolarHBondContact O-N 3.22Å; F219-V222 PolarHBondContact O-N 3.37Å; F219-L223 WeakPolarHBondContact O-CB 3.47Å; F219-L223 VanDerWaalsContact O-CG 3.28Å; F219-L223 WeakPolarHBondContact O-CG 3.29Å; F219-L223 PolarHBondContact O-N 3.39Å
220V82.3Confident76.4Confident79 Ų7988.4 Ų88.448%0.47953%0.531SS..Hα-helixtrans-64-44.2174.2174.90000110.8T216 S217 V222 L223 V224T216-V220 WeakPolarHBondContact O-CG2 3.32Å; T216-V220 PolarHBondContact O-N 2.91Å; S217-V220 PolarHBondContact O-N 3.41Å; V220-V222 PolarHBondContact O-N 3.06Å; V220-L223 PolarHBondContact O-N 2.93Å; V220-V224 HydrophobicContact CG1-CG2 4.17Å; V220-V224 WeakPolarHBondContact O-CB 3.41Å; V220-V224 VanDerWaalsContact O-CG2 3.32Å; V220-V224 WeakPolarHBondContact O-CG2 3.39Å; V220-V224 PolarHBondContact O-N 3.04Å
221G81.5Confident76.8Confident35 Ų3589.9 Ų89.936%0.36154%0.536SS..Hα-helixtrans-59-45176.100000113.1S217 V218 T225S217-G221 PolarHBondContact O-N 2.9Å; V218-G221 PolarHBondContact O-N 3.4Å; G221-T225 VanDerWaalsContact O-CB 3.28Å; G221-T225 WeakPolarHBondContact O-CB 3.34Å; G221-T225 PolarHBondContact O-N 3.42Å; G221-T225 PolarHBondContact O-OG1 3.05Å
222V85.5Confident77.6Confident101 Ų10190.8 Ų90.861%0.61255%0.55SS**Hα-helixtrans-66-42.5176.2173.10000111.6V218 F219 V220 G226V218-V222 WeakPolarHBondContact O-CG2 3.28Å; V218-V222 PolarHBondContact O-N 3.33Å; F219-V222 PolarHBondContact O-N 3.37Å; V220-V222 PolarHBondContact O-N 3.06Å; V222-G226 PolarHBondContact O-N 2.97Å
223L88.7Confident79Confident126 Ų12688.5 Ų88.566%0.6654%0.544SS*.Hα-helixtrans-63.4-47.3177.4-79.2166.9000112.5F219 V220 G226 L227F219-L223 WeakPolarHBondContact O-CB 3.47Å; F219-L223 VanDerWaalsContact O-CG 3.28Å; F219-L223 WeakPolarHBondContact O-CG 3.29Å; F219-L223 PolarHBondContact O-N 3.39Å; V220-L223 PolarHBondContact O-N 2.93Å; L223-G226 PolarHBondContact O-N 3.36Å; L223-L227 WeakPolarHBondContact O-CB 3.28Å; L223-L227 PolarHBondContact O-N 3.3Å
224V90.1Very high80.6Confident77 Ų7787.9 Ų87.947%0.46753%0.532SS..Hα-helixtrans-65.7-43.1179.6172.90000110.8V220 L227 L228V220-V224 HydrophobicContact CG1-CG2 4.17Å; V220-V224 WeakPolarHBondContact O-CB 3.41Å; V220-V224 VanDerWaalsContact O-CG2 3.32Å; V220-V224 WeakPolarHBondContact O-CG2 3.39Å; V220-V224 PolarHBondContact O-N 3.04Å; V224-L227 PolarHBondContact O-N 2.94Å; V224-L228 HydrophobicContact CG1-CD1 4.32Å; V224-L228 PolarHBondContact O-N 3.42Å
225T89.6Confident82.4Confident56 Ų5688.2 Ų88.234%0.34453%0.53SS..Hα-helixtrans-63.6-43.3176.7-55.20000111.5L25 G221 L228 A229L25-T225 HydrophobicContact CD1-CG2 4.46Å; G221-T225 VanDerWaalsContact O-CB 3.28Å; G221-T225 WeakPolarHBondContact O-CB 3.34Å; G221-T225 PolarHBondContact O-N 3.42Å; G221-T225 PolarHBondContact O-OG1 3.05Å; T225-L228 PolarHBondContact O-N 3.5Å; T225-A229 WeakPolarHBondContact O-CB 3.46Å; T225-A229 PolarHBondContact O-N 3.26Å
226G93.1Very high83.6Confident41 Ų4184.6 Ų84.642%0.42352%0.518SS..Hα-helixtrans-62.2-41175.800000113V222 L223 A229 A230V222-G226 PolarHBondContact O-N 2.97Å; L223-G226 PolarHBondContact O-N 3.36Å; G226-A229 PolarHBondContact O-N 2.96Å; G226-A230 PolarHBondContact O-N 3.45Å
227L92.4Very high84.8Confident110 Ų11087.6 Ų87.658%0.57652%0.522SS*.Hα-helixtrans-65-43.6176.6-175.463.8000112L223 V224 A230 L231L223-L227 WeakPolarHBondContact O-CB 3.28Å; L223-L227 PolarHBondContact O-N 3.3Å; V224-L227 PolarHBondContact O-N 2.94Å; L227-A230 PolarHBondContact O-N 3.36Å; L227-L231 WeakPolarHBondContact O-CG 3.41Å; L227-L231 PolarHBondContact O-N 2.87Å
228L90.9Very high85.6Confident115 Ų11588.7 Ų88.760%0.60251%0.514SS*.Hα-helixtrans-62.4-41.9174.5-101.369.5000112V224 T225 L231 G232V224-L228 HydrophobicContact CG1-CD1 4.32Å; V224-L228 PolarHBondContact O-N 3.42Å; T225-L228 PolarHBondContact O-N 3.5Å; L228-L231 PolarHBondContact O-N 3.4Å; L228-G232 PolarHBondContact O-N 3.49Å
229A91.3Very high85.6Confident58 Ų5892 Ų9248%0.47952%0.52SS..Hα-helixtrans-63.1-41.6176.900000112.1T225 G226 G232 M233T225-A229 WeakPolarHBondContact O-CB 3.46Å; T225-A229 PolarHBondContact O-N 3.26Å; G226-A229 PolarHBondContact O-N 2.96Å; A229-G232 PolarHBondContact O-N 2.97Å; A229-M233 PolarHBondContact O-N 3.17Å
230A92.9Very high85.1Confident46 Ų4689 Ų8938%0.3852%0.517SS..Hα-helixtrans-62.1-46.6175.500000111.9G226 L227 G232 M233 I234G226-A230 PolarHBondContact O-N 3.45Å; L227-A230 PolarHBondContact O-N 3.36Å; A230-G232 VanDerWaalsContact C-N 3.33Å; A230-G232 PolarHBondContact O-N 2.97Å; A230-M233 PolarHBondContact O-N 3.37Å; A230-I234 VanDerWaalsContact O-CG1 3.29Å; A230-I234 WeakPolarHBondContact O-CG1 3.38Å; A230-I234 PolarHBondContact O-N 3.32Å
231L90.5Very high84.2Confident95 Ų9591.1 Ų91.150%0.49752%0.522SS..Hα-helixtrans-61.8-40.4175.2-69.7172.3000112L227 L228 M233 I234 V235L227-L231 WeakPolarHBondContact O-CG 3.41Å; L227-L231 PolarHBondContact O-N 2.87Å; L228-L231 PolarHBondContact O-N 3.4Å; L231-M233 PolarHBondContact O-N 3.22Å; L231-I234 PolarHBondContact O-N 3.29Å; L231-V235 WeakPolarHBondContact O-CG2 3.29Å; L231-V235 PolarHBondContact O-N 2.94Å
232G89.3Confident83Confident47 Ų4799.3 Ų99.349%0.48554%0.542SS..Hα-helixtrans-59.8-43.3174.400000112.9L228 A229 A230 G236L228-G232 PolarHBondContact O-N 3.49Å; A229-G232 PolarHBondContact O-N 2.97Å; A230-G232 VanDerWaalsContact C-N 3.33Å; A230-G232 PolarHBondContact O-N 2.97Å; G232-G236 PolarHBondContact O-N 3.08Å
233M85.8Confident81.7Confident148 Ų148102.8 Ų102.873%0.72955%0.549SS*.Hα-helixtrans-64.6-42.5174.3-76.3-65.8-165.300112.4A229 A230 L231 G236 Y237A229-M233 PolarHBondContact O-N 3.17Å; A230-M233 PolarHBondContact O-N 3.37Å; L231-M233 PolarHBondContact O-N 3.22Å; M233-G236 PolarHBondContact O-N 3.19Å; M233-Y237 VanDerWaalsContact O-CB 3.25Å; M233-Y237 WeakPolarHBondContact O-CB 3.28Å; M233-Y237 PolarHBondContact O-N 3.29Å
234I88.2Confident79.9Confident88 Ų88102.1 Ų102.145%0.45155%0.552SS.*Hα-helixtrans-63.2-48.6178.4-68163.2000110.8A230 L231 G236 Y237 F238A230-I234 VanDerWaalsContact O-CG1 3.29Å; A230-I234 WeakPolarHBondContact O-CG1 3.38Å; A230-I234 PolarHBondContact O-N 3.32Å; L231-I234 PolarHBondContact O-N 3.29Å; I234-G236 PolarHBondContact O-N 2.85Å; I234-Y237 PolarHBondContact O-N 3.26Å; I234-F238 HydrophobicContact CG2-CD2 3.78Å; I234-F238 HydrophobicContact CG2-CE2 3.66Å; I234-F238 VanDerWaalsContact O-CD2 3.22Å; I234-F238 WeakPolarHBondContact O-CD2 3.25Å; I234-F238 PolarHBondContact O-N 2.97Å
235V86.1Confident78.1Confident97 Ų97105.6 Ų105.659%0.58857%0.568SS**Hα-helixtrans-64.8-40.4177.31740000111.2L231 K239L231-V235 WeakPolarHBondContact O-CG2 3.29Å; L231-V235 PolarHBondContact O-N 2.94Å; V235-K239 VanDerWaalsContact O-CB 3.28Å; V235-K239 WeakPolarHBondContact O-CB 3.39Å; V235-K239 PolarHBondContact O-N 3.02Å
236G80.5Confident76.1Confident31 Ų31109.7 Ų109.732%0.3259%0.593SS.*Hα-helixtrans-60.1-45.817400000112.3G232 M233 I234 K239 C240G232-G236 PolarHBondContact O-N 3.08Å; M233-G236 PolarHBondContact O-N 3.19Å; I234-G236 PolarHBondContact O-N 2.85Å; G236-K239 PolarHBondContact O-N 3.33Å; G236-C240 WeakPolarHBondContact O-CB 3.22Å; G236-C240 PolarHBondContact O-N 3.2Å; G236-C240 PolarHBondContact O-SG 3.37Å; G236-C240 VanDerWaalsContact O-SG 3.35Å
237Y80.8Confident74.2Confident141 Ų141117.5 Ų117.555%0.55362%0.616SS**Hα-helixtrans-60-52.3177180-99.8000111.7M233 I234 K239 C240 Q241M233-Y237 VanDerWaalsContact O-CB 3.25Å; M233-Y237 WeakPolarHBondContact O-CB 3.28Å; M233-Y237 PolarHBondContact O-N 3.29Å; I234-Y237 PolarHBondContact O-N 3.26Å; Y237-K239 VanDerWaalsContact C-N 3.26Å; Y237-K239 PolarHBondContact O-N 2.81Å; Y237-C240 PolarHBondContact O-N 2.95Å; Y237-Q241 HydrophobicContact CD1-CG 4.26Å; Y237-Q241 HydrophobicContact CE1-CG 3.97Å; Y237-Q241 HydrophobicContact CE2-CG 4.34Å; Y237-Q241 WeakPolarHBondContact O-CB 3.38Å; Y237-Q241 VanDerWaalsContact O-CG 3.29Å; Y237-Q241 WeakPolarHBondContact O-CG 3.14Å; Y237-Q241 PolarHBondContact O-N 3.09Å; Y237-Q241 PolarHBondContact OH-NE2 3.14Å
238F78.6Confident72.3Confident125 Ų125115.8 Ų115.855%0.54863%0.625SS.*Hα-helixtrans-63.3-29.2176.9-76.5-62.6000113.5I234 R242I234-F238 HydrophobicContact CG2-CD2 3.78Å; I234-F238 HydrophobicContact CG2-CE2 3.66Å; I234-F238 VanDerWaalsContact O-CD2 3.22Å; I234-F238 WeakPolarHBondContact O-CD2 3.25Å; I234-F238 PolarHBondContact O-N 2.97Å; F238-R242 WeakPolarHBondContact O-CG 3.47Å; F238-R242 PolarHBondContact O-N 3.49Å
239K68.9Low70.3Confident163 Ų163119.9 Ų119.971%0.70964%0.641SS**Hα-helixtrans-78.2-32.7175.3-168.7169.5-177.8172.30112.7V235 G236 Y237 R242V235-K239 VanDerWaalsContact O-CB 3.28Å; V235-K239 WeakPolarHBondContact O-CB 3.39Å; V235-K239 PolarHBondContact O-N 3.02Å; G236-K239 PolarHBondContact O-N 3.33Å; Y237-K239 VanDerWaalsContact C-N 3.26Å; Y237-K239 PolarHBondContact O-N 2.81Å; K239-R242 PolarHBondContact O-N 3.35Å
240C60.2Low68Low89 Ų89126.2 Ų126.260%0.60166%0.657SS**Hα-helixtrans-73.2-40.1174.4-750000112.3G236 Y237 R242 K243G236-C240 WeakPolarHBondContact O-CB 3.22Å; G236-C240 PolarHBondContact O-N 3.2Å; G236-C240 PolarHBondContact O-SG 3.37Å; G236-C240 VanDerWaalsContact O-SG 3.35Å; Y237-C240 PolarHBondContact O-N 2.95Å; C240-R242 PolarHBondContact O-N 2.91Å; C240-R242 VanDerWaalsContact O-N 3.14Å; C240-K243 PolarHBondContact O-N 2.84Å; C240-K243 VanDerWaalsContact O-N 3.09Å
241Q62.3Low66Low124 Ų124133.1 Ų133.158%0.57969%0.687SS**THydrogen-bonded Turntrans-60.4-17.3170.4-70.3-79.545.800113.1Y237Y237-Q241 HydrophobicContact CD1-CG 4.26Å; Y237-Q241 HydrophobicContact CE1-CG 3.97Å; Y237-Q241 HydrophobicContact CE2-CG 4.34Å; Y237-Q241 WeakPolarHBondContact O-CB 3.38Å; Y237-Q241 VanDerWaalsContact O-CG 3.29Å; Y237-Q241 WeakPolarHBondContact O-CG 3.14Å; Y237-Q241 PolarHBondContact O-N 3.09Å; Y237-Q241 PolarHBondContact OH-NE2 3.14Å
242R57.7Low63.9Low207 Ų207132 Ų13278%0.78169%0.691SS**THydrogen-bonded Turntrans-93.214.2175.2-77.6-178.7-178.2163.82.7114.4F238 K239 C240 P244F238-R242 WeakPolarHBondContact O-CG 3.47Å; F238-R242 PolarHBondContact O-N 3.49Å; K239-R242 PolarHBondContact O-N 3.35Å; C240-R242 PolarHBondContact O-N 2.91Å; C240-R242 VanDerWaalsContact O-N 3.14Å; R242-P244 WeakPolarHBondContact O-CD 3.29Å
243K57.1Low61.8Low175 Ų175138.3 Ų138.376%0.76171%0.708SS**SBendtrans-76.1106.6156.5-74.1-171.5175.9-1760107.3C240C240-K243 PolarHBondContact O-N 2.84Å; C240-K243 VanDerWaalsContact O-N 3.09Å
244P52.3Low60.1Low111 Ų111139.6 Ų139.672%0.72171%0.71SS**  trans-63149.4171.830-35.3000108.9R242 T246R242-P244 WeakPolarHBondContact O-CD 3.29Å; P244-T246 PolarHBondContact O-N 3.08Å; P244-T246 VanDerWaalsContact O-N 3.08Å
245D51.2Low57.7Low150 Ų150139.8 Ų139.880%0.80273%0.725SS**  trans-48.7119.4170.2-67.8-69.2000110.1K247D245-K247 PolarHBondContact O-N 3.18Å
246T47.6Very low55.3Low143 Ų143142.5 Ų142.588%0.87773%0.729SS**  trans-67.68916145.60000106.7P244 G248P244-T246 PolarHBondContact O-N 3.08Å; P244-T246 VanDerWaalsContact O-N 3.08Å; T246-G248 PolarHBondContact O-N 3.01Å
247K53.5Low53.3Low205 Ų205146.8 Ų146.889%0.89175%0.751SS**  trans-45.3120.4-176.2-78.7-176.3172.6-178.20111.6D245D245-K247 PolarHBondContact O-N 3.18Å
248G52.3Low51.4Low74 Ų74145.9 Ų145.976%0.76376%0.76SS**  trans99.769.1150.500000117T246T246-G248 PolarHBondContact O-N 3.01Å
249E48.3Very low49.5Very low200 Ų200147 Ų14794%0.93577%0.771SS**  trans-117.4138.4134.5-79.3-168.5124.300109.6
250K44.6Very low48.6Very low191 Ų191147 Ų14783%0.8377%0.774SS**  trans-71.3153.3-164.9-87179.6167.9-177.20112.7A252K250-A252 HydrophobicContact CB-CB 4.25Å; K250-A252 PolarHBondContact O-N 2.88Å
251L50.9Low47.9Very low192 Ų192151.3 Ų151.3100%1.00579%0.785SS**  trans-60.185.3147.4-66.4164.3000109.7
252A46.4Very low46.9Very low71 Ų71152 Ų15259%0.58779%0.793SS**  trans-156.8136.1169.100000107.2K250K250-A252 HydrophobicContact CB-CB 4.25Å; K250-A252 PolarHBondContact O-N 2.88Å
253E44.7Very low46.1Very low180 Ų180150.3 Ų150.384%0.84179%0.794SS**  cis-146.5155.50.7-165.9154.9128.400109.8A255E253-A255 PolarHBondContact O-N 2.87Å
254K49.6Very low45.2Very low174 Ų174145.5 Ų145.576%0.75779%0.794SS**  trans-77.169.3179.6-171.1175.6177.9177.10110.5F256K254-F256 HydrophobicContact CD-CE2 4.29Å; K254-F256 HydrophobicContact CG-CD2 4.41Å; K254-F256 HydrophobicContact CG-CE2 4.18Å; K254-F256 PolarHBondContact O-N 2.88Å
255A38Very low44.5Very low93 Ų93147 Ų14777%0.76980%0.796SS**  trans-76.798171.100000109.6E253E253-A255 PolarHBondContact O-N 2.87Å
256F35.7Very low43.9Very low154 Ų154146.2 Ų146.268%0.67580%0.797SS**  trans-54.9141.8167-73.6-108.3000110K254 V258K254-F256 HydrophobicContact CD-CE2 4.29Å; K254-F256 HydrophobicContact CG-CD2 4.41Å; K254-F256 HydrophobicContact CG-CE2 4.18Å; K254-F256 PolarHBondContact O-N 2.88Å; F256-V258 PolarHBondContact O-N 3.12Å; F256-V258 VanDerWaalsContact O-N 3.12Å
257P38.5Very low43.7Very low120 Ų120146.8 Ų146.878%0.77979%0.794SS**  trans-67108.5152.829.5-28.9000107.2D259P257-D259 PolarHBondContact O-N 3.17Å; P257-D259 VanDerWaalsContact O-N 3.16Å
258V41.9Very low42.9Very low122 Ų122141.8 Ų141.874%0.73979%0.79SS**  trans-66.8107.8157170.70000105.5F256 Q260F256-V258 PolarHBondContact O-N 3.12Å; F256-V258 VanDerWaalsContact O-N 3.12Å; V258-Q260 HydrophobicContact CG1-CB 4.44Å; V258-Q260 PolarHBondContact O-N 3.16Å
259D38.1Very low42.3Very low149 Ų149142.5 Ų142.580%0.79778%0.784SS**  trans-72.180.8174.5-163.326.3000108.3P257P257-D259 PolarHBondContact O-N 3.17Å; P257-D259 VanDerWaalsContact O-N 3.16Å
260Q49.6Very low42Very low163 Ų163140.6 Ų140.676%0.76278%0.775SS**  trans-83.6127.4173.5180169-31.900108.5V258V258-Q260 HydrophobicContact CG1-CB 4.44Å; V258-Q260 PolarHBondContact O-N 3.16Å
261E45Very low41.9Very low180 Ų180136.1 Ų136.184%0.84177%0.773SS**  trans94.466.8172.5-154168.211600117
262N41.7Very low41.5Very low139 Ų139131.4 Ų131.474%0.74376%0.755SS**  trans-134.897.5146-157.3-3.4000112.7
263Q40.8Very low41.1Very low170 Ų170135.9 Ų135.979%0.79477%0.768SS**  trans46.1103.6147.5-57.8-72.8-31.900119.4
264G38.9Very low40.7Very low74 Ų74134.4 Ų134.476%0.76376%0.764SS**  60.9114119.500000121.4
265N36.7Very low40.8Very low144 Ų144131.6 Ų131.677%0.7776%0.763SS**  trans68.8108.9148.9-172.146.3000118.8
266T40Very low41.4Very low133 Ų133132.8 Ų132.882%0.81676%0.764SS**  -162.9153114.1-71.10000109.6
267L42.7Very low42Very low154 Ų154131 Ų13181%0.80677%0.768SS**  trans-80.6164.8-171.7-61159.9000114
268A36Very low42.1Very low100 Ų100133.4 Ų133.483%0.82677%0.768SS**  trans70.7153.2164.300000116.6
269S39.9Very low42.1Very low90 Ų90133.5 Ų133.563%0.62977%0.769SS**  cis-149.6162.1-6-149.60000110.9
270E42.2Very low42Very low160 Ų160135.6 Ų135.675%0.74877%0.774SS**  trans49.5111.9153.2-77.3150105.600121.6
271A43.4Very low41.4Very low96 Ų96136.9 Ų136.979%0.79378%0.78SS**  -70.3146.2121.800000108.2
272P42.4Very low40.9Very low94 Ų94137.5 Ų137.561%0.6178%0.78SS**  -152.4155.490.235.2-16000117.6
273L37.6Very low41.4Very low165 Ų165135.9 Ų135.986%0.86478%0.777SS**  trans50.4131.9138.9-57.3167.5000118.6
274I35.7Very low41.1Very low148 Ų148133.1 Ų133.176%0.75978%0.777SS**  cis-164.5146.145.2-66.9175.2000109.3
275P52.8Low40.9Very low115 Ų115136 Ų13675%0.74778%0.78SS**  trans-96.9152.1162.237.1-31.5000113
276P50.3Low40.7Very low119 Ų119137.3 Ų137.377%0.77379%0.786SS**  -143.8171119.327.9-7.7000115.2
277P48.3Very low40.5Very low117 Ų117134.3 Ų134.376%0.7678%0.782SS**  trans-120.7-157.6-159.138.8-21.1000114.6
278E39.5Very low40Very low170 Ų170136.2 Ų136.279%0.79479%0.787SS**  trans88115.9166.5-48.9-143.2125.200116
279T41.8Very low40.1Very low123 Ų123137 Ų13776%0.75579%0.786SS**  67.2106.658.365.30000115.7
280Q36.9Very low39.9Very low194 Ų194139.7 Ų139.791%0.90779%0.792SS**  trans-152.4115.9147.4-155169.617.500112.1
281E35.9Very low39.4Very low189 Ų189140.5 Ų140.588%0.88380%0.796SS**  trans-91.1122169.2-76.2-172.191.900111.5
282K35.8Very low38.9Very low193 Ų193140.4 Ų140.484%0.83980%0.796SS**  trans55.1-171.6148.5-107.2-164.4170.9174.50116.6
283P51.2Low38.2Very low105 Ų105142.6 Ų142.668%0.68281%0.807SS**  cis-127-172.8-4.638.3-19.9000115.8
284S35.7Very low37.9Very low113 Ų113143.4 Ų143.479%0.7980%0.803SS**  trans81.7151.1165.589.90000116.5
285V34.1Very low37.6Very low135 Ų135142.4 Ų142.482%0.81880%0.798SS**  cis-150.4163.3-1.185.70000111
286N33.4Very low36.7Very low170 Ų170144.9 Ų144.991%0.90980%0.8SS**  trans-78.2148.6173.4-84.2-23.4000113
287G34.2Very low35.8Very low70 Ų70145 Ų14572%0.72280%0.798SS**  trans-178.399.2161.200000108.2
288E33.9Very low35.1Very low195 Ų195144.4 Ų144.491%0.91180%0.797SS**  72.6103.178.7-168.6178.7141.400113.8
289S36.3Very low35.5Very low116 Ų116141.6 Ų141.681%0.81179%0.793SS**  168157.7114.9-1650000112.4
290L36.1Very low35.8Very low146 Ų146141.8 Ų141.876%0.76480%0.797SS**  trans-109.3156.5-177-94.9159.5000112.5
291E32.3Very low35.8Very low178 Ų178138.4 Ų138.483%0.83279%0.79SS**  trans61.4121.4149.9-68.1177.9116.400123.4
292A31.9Very low35.8Very low94 Ų94137.5 Ų137.578%0.77779%0.791SS**  trans174.9109132.900000109.5
293V29.2Very low35.6Very low139 Ų139131.3 Ų131.384%0.84278%0.782SS**  87141.873.81670000115
294K29.7Very low35Very low182 Ų182135.3 Ų135.379%0.79179%0.791SS**  trans80.1144.7171.6-113.9-165.7166-164.30115.6
295I30.5Very low35.6Very low127 Ų127134.4 Ų134.465%0.65179%0.785SS**  cis-144.4127.513.8-63.1177.8000107.3
296E32.9Very low35.8Very low168 Ų168133.9 Ų133.979%0.78578%0.782SS**  62135.294.7-133.4-168.5165.100119.1
297T32.3Very low36Very low120 Ų120129.9 Ų129.974%0.73677%0.773SS**  trans90.1130151.3-45.30000121.4
298S33.9Very low36.2Very low106 Ų106135.6 Ų135.674%0.74178%0.777SS**  trans-99.6-159.2177.2-50.90000112.1
299P46.9Very low36.5Very low110 Ų110131.9 Ų131.971%0.71477%0.769SS**  -107.9-164.9-89.540.7-25.7000112.2
300P47.8Very low36.7Very low127 Ų127130.4 Ų130.483%0.82576%0.763SS**  trans-121.1154.8145.935.6-27.9000114.4
301T38.6Very low36.8Very low123 Ų123129.8 Ų129.876%0.75576%0.761SS**  trans-91.7146.3-168.748.90000114.6
302N34Very low37.3Very low171 Ų171126 Ų12691%0.91475%0.75SS**  trans-171.1140.3136.3-90.1-39.6000108.7
303G32.9Very low37.7Very low63 Ų63129.3 Ų129.365%0.64975%0.749SS**  cis156.443.5-0.900000116.3
304H37.8Very low38.1Very low189 Ų189134.5 Ų134.588%0.87577%0.771SS**  trans-152.6131.1154.2-133.965000115.9
305S49.5Very low38.5Very low94 Ų94132.2 Ų132.266%0.65777%0.77SS**  trans-67.1175167.8-47.80000111.5
306T38.3Very low39Very low124 Ų124132.4 Ų132.476%0.76178%0.776SS**  cis-159.2140.413.4-8.20000105.9
307A36.9Very low39.3Very low86 Ų86130.4 Ų130.471%0.71178%0.776SS**  53.5145.987.600000115
308K38.9Very low39.7Very low189 Ų189131.1 Ų131.182%0.82278%0.778SS**  cis-164.71607.1-151.4-176.3171.2-173.90111.2
309T39.4Very low40.1Very low118 Ų118132.6 Ų132.672%0.72478%0.781SS**  trans-3.2136.1150.8-51.60000121.4
310A41Very low39.6Very low85 Ų85134.1 Ų134.170%0.70279%0.785SS**  trans-168.1120.6135.200000108.1
311D38.3Very low39Very low133 Ų133134.6 Ų134.671%0.71178%0.782SS**  65112.7103.2-79.7-79000115.1
312T42.8Very low39.1Very low99 Ų99135.5 Ų135.561%0.60778%0.784SS**  91.8141.674.5-480000111.6
313E40.3Very low39.5Very low163 Ų163132.6 Ų132.676%0.76277%0.773SS**  trans44.3102.6163.863.1-134.4134.100121.3
314L37.8Very low40.1Very low248 Ų248138.9 Ų138.9100%1.29879%0.785SS**  -163.9092.8-147.675.4000112.7

Retrieved 314 of 314 residues in 575.2 ms (Link to these results)