A0A061IIY3_CRIGR Loading...

Synaptotagmin IV

AlphaFold DB , UniProt , Accession A0A061IIY3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Syt4, Length 425 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.3Very low43.2Very low247 Ų247160.1 Ų160.1100%1.21786%0.861SS**  0145.20-161.5170.9-172.600107.1
2A38.8Very low43.2Very low94 Ų94160.3 Ų160.378%0.77786%0.862SS**  trans73159.1-172.200000114.8
3P51.4Low43.5Very low124 Ų124162.1 Ų162.181%0.80586%0.861SS**  -135.4-178.6-88.934.1-13.9000115.6
4I48.9Very low44.5Very low157 Ų157161.7 Ų161.781%0.80586%0.857SS**  trans-75.6139.1174.9-61.3163.4000111.1
5T44.6Very low45.1Very low139 Ų139156.6 Ų156.685%0.85384%0.837SS**  trans-138.8148.4155.139.20000111.7
6T46.6Very low45.8Very low133 Ų133154.1 Ų154.182%0.81683%0.83SS**  trans-116138.3-173.231.20000112
7S37.3Very low46.3Very low115 Ų115151.2 Ų151.280%0.80482%0.818SS**  trans-154.7109.1154.245.30000108.2
8R38.5Very low46.8Very low250 Ų250149.1 Ų149.194%0.94381%0.811SS**  79.3122.175.5-141.2177.6-159.5168.13.9112.4
9V42.8Very low47.2Very low117 Ų117143.9 Ų143.971%0.70980%0.796SS**  trans-85.7144-175.4176.20000110.3F11V9-F11 HydrophobicContact CG1-CD2 3.7Å; V9-F11 HydrophobicContact CG1-CE2 3.86Å
10E36.7Very low47.6Very low193 Ų193141.4 Ų141.490%0.90278%0.78SS**  trans-123.2125.6162.4-163.2157.2-136.900107.5
11F43.8Very low48.1Very low192 Ų192139.7 Ų139.784%0.84277%0.773SS**  trans-95128.9175.9-92.7-95000107.8V9V9-F11 HydrophobicContact CG1-CD2 3.7Å; V9-F11 HydrophobicContact CG1-CE2 3.86Å
12D43.2Very low48.7Very low162 Ų162131.8 Ų131.887%0.86674%0.743SS**  trans-108.2130.9175.4-147.6-0.1000109.9
13E47.9Very low49.7Very low184 Ų184130 Ų13086%0.8673%0.728SS**PPolyproline II helixtrans-84.8132-169.3-66-173.3139.800112.2
14I57.8Low50.3Low157 Ų157131 Ų13181%0.80572%0.72SS**PPolyproline II helixtrans-86.6126.6174.3-58.7176.3000109.1T16I14-T16 PolarHBondContact O-N 3.08Å
15P52.7Low51.2Low85 Ų85125.4 Ų125.455%0.55270%0.7SS**PPolyproline II helixtrans-71.3120.1-168.226.3-34.9000113.5V17 V18P15-V17 PolarHBondContact O-N 2.72Å; P15-V18 PolarHBondContact O-N 2.79Å
16T57.2Low52.2Low117 Ų117124.3 Ų124.372%0.71869%0.689SS**THydrogen-bonded Turntrans-56.3-16.1-178.9-25.30000114.8I14 V18 G19I14-T16 PolarHBondContact O-N 3.08Å; T16-V18 VanDerWaalsContact C-N 3.31Å; T16-V18 PolarHBondContact O-N 3.33Å; T16-G19 PolarHBondContact O-N 3.07Å
17V54.3Low53.4Low104 Ų104122.3 Ų122.363%0.6368%0.676SS**Hα-helixtrans-61.4-35-176.8-176.50000112.5P15 G19 I20P15-V17 PolarHBondContact O-N 2.72Å; V17-G19 PolarHBondContact O-N 3.14Å; V17-I20 PolarHBondContact O-N 3.23Å
18V54.7Low55.1Low113 Ų113124 Ų12469%0.68567%0.669SS**Hα-helixtrans-69.8-34.6-176-175.60000112.2P15 T16P15-V18 PolarHBondContact O-N 2.79Å; T16-V18 VanDerWaalsContact C-N 3.31Å; T16-V18 PolarHBondContact O-N 3.33Å
19G54.5Low56.8Low52 Ų52116.2 Ų116.254%0.53665%0.65SS.*Hα-helixtrans-68.4-34.817900000113.4T16 V17 A23T16-G19 PolarHBondContact O-N 3.07Å; V17-G19 PolarHBondContact O-N 3.14Å; G19-A23 PolarHBondContact O-N 3.2Å
20I56Low58.3Low92 Ų92115.2 Ų115.247%0.47264%0.643SS.*Hα-helixtrans-71.8-42.9-174.9-63.3175.5000111.2V17 S22 A23 F24V17-I20 PolarHBondContact O-N 3.23Å; I20-S22 VanDerWaalsContact C-N 3.29Å; I20-S22 PolarHBondContact O-N 3.19Å; I20-A23 PolarHBondContact O-N 2.79Å; I20-F24 HydrophobicContact CG2-CD2 3.75Å; I20-F24 HydrophobicContact CG2-CE2 3.61Å; I20-F24 WeakPolarHBondContact O-CD2 3.46Å; I20-F24 PolarHBondContact O-N 3.28Å
21V56.8Low60.2Low106 Ų106109.4 Ų109.464%0.64262%0.624SS**Hα-helixtrans-63.2-36.2179.1-179.60000111.7G25V21-G25 PolarHBondContact O-N 3.29Å
22S58.9Low61.8Low82 Ų82104.6 Ų104.657%0.57361%0.607SS**Hα-helixtrans-62.2-47.3176.2179.90000112.6I20 G25 L26I20-S22 VanDerWaalsContact C-N 3.29Å; I20-S22 PolarHBondContact O-N 3.19Å; S22-G25 PolarHBondContact O-N 3.02Å; S22-L26 PolarHBondContact O-N 3.1Å
23A59.8Low63.3Low56 Ų56104 Ų10446%0.46360%0.597SS.*Hα-helixtrans-64.9-43.5-177.700000112.7G19 I20 G25 L26 V27G19-A23 PolarHBondContact O-N 3.2Å; I20-A23 PolarHBondContact O-N 2.79Å; A23-G25 PolarHBondContact O-N 2.86Å; A23-L26 PolarHBondContact O-N 3.21Å; A23-V27 PolarHBondContact O-N 3.2Å
24F63.9Low64.6Low146 Ų14697.8 Ų97.864%0.6458%0.577SS**Hα-helixtrans-66.7-35.5-179.6-78.8-66.7000113I20 L26 V27 F28I20-F24 HydrophobicContact CG2-CD2 3.75Å; I20-F24 HydrophobicContact CG2-CE2 3.61Å; I20-F24 WeakPolarHBondContact O-CD2 3.46Å; I20-F24 PolarHBondContact O-N 3.28Å; F24-L26 PolarHBondContact O-N 3.35Å; F24-V27 PolarHBondContact O-N 2.97Å; F24-F28 WeakPolarHBondContact O-CB 3.24Å; F24-F28 PolarHBondContact O-N 3.5Å
25G68.3Low65.5Low38 Ų3899.1 Ų99.139%0.39257%0.572SS.*Hα-helixtrans-62.9-37.9175.500000113.7V21 S22 A23 T29V21-G25 PolarHBondContact O-N 3.29Å; S22-G25 PolarHBondContact O-N 3.02Å; A23-G25 PolarHBondContact O-N 2.86Å; G25-T29 WeakPolarHBondContact O-CG2 3.28Å; G25-T29 PolarHBondContact O-N 3.08Å; G25-T29 VanDerWaalsContact O-N 3.17Å; G25-T29 PolarHBondContact O-OG1 3.34Å
26L64.3Low66.7Low116 Ų11698.9 Ų98.961%0.60757%0.565SS**Hα-helixtrans-70.2-41.4177.3-109.4167.6000112.6S22 A23 F24 F28 T29 V30S22-L26 PolarHBondContact O-N 3.1Å; A23-L26 PolarHBondContact O-N 3.21Å; F24-L26 PolarHBondContact O-N 3.35Å; L26-F28 PolarHBondContact O-N 2.86Å; L26-T29 PolarHBondContact O-OG1 2.68Å; L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 2.85Å
27V72.3Confident67.2Low92 Ų9296.7 Ų96.756%0.55855%0.553SS**Hα-helixtrans-66.3-38.6177.31760000111.4A23 F24 S31A23-V27 PolarHBondContact O-N 3.2Å; F24-V27 PolarHBondContact O-N 2.97Å; V27-S31 WeakPolarHBondContact O-CB 3.2Å; V27-S31 PolarHBondContact O-N 3.19Å; V27-S31 VanDerWaalsContact O-N 3.14Å; V27-S31 PolarHBondContact O-OG 2.87Å
28F72.7Confident67.9Low151 Ų15196 Ų9666%0.66255%0.552SS**Hα-helixtrans-67-43.3179.3-147.7-92.4000112.1F24 L26 S31 L32F24-F28 WeakPolarHBondContact O-CB 3.24Å; F24-F28 PolarHBondContact O-N 3.5Å; L26-F28 PolarHBondContact O-N 2.86Å; F28-S31 PolarHBondContact O-N 2.95Å; F28-L32 HydrophobicContact CD1-CD1 4.23Å; F28-L32 HydrophobicContact CE1-CD1 3.96Å; F28-L32 WeakPolarHBondContact O-CB 3.45Å; F28-L32 PolarHBondContact O-N 2.85Å
29T73.4Confident68.4Low86 Ų8696.5 Ų96.553%0.52855%0.547SS..Hα-helixtrans-65.8-42.2179.7470000113G25 L26 L32 F33G25-T29 WeakPolarHBondContact O-CG2 3.28Å; G25-T29 PolarHBondContact O-N 3.08Å; G25-T29 VanDerWaalsContact O-N 3.17Å; G25-T29 PolarHBondContact O-OG1 3.34Å; L26-T29 PolarHBondContact O-OG1 2.68Å; T29-L32 PolarHBondContact O-N 3.24Å; T29-F33 PolarHBondContact O-N 3.26Å
30V75.3Confident68.3Low95 Ų95103.3 Ų103.358%0.57656%0.557SS**Hα-helixtrans-63.6-42.2175.4174.90000111.6L26 F33 A34L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 2.85Å; V30-F33 PolarHBondContact O-N 2.79Å; V30-A34 PolarHBondContact O-N 3.39Å
31S77.1Confident68Low71 Ų71109.2 Ų109.250%0.49757%0.573SS.*Hα-helixtrans-65.3-40.3179.4-56.80000112.3V27 F28 A34 W35V27-S31 WeakPolarHBondContact O-CB 3.2Å; V27-S31 PolarHBondContact O-N 3.19Å; V27-S31 VanDerWaalsContact O-N 3.14Å; V27-S31 PolarHBondContact O-OG 2.87Å; F28-S31 PolarHBondContact O-N 2.95Å; S31-A34 PolarHBondContact O-N 2.95Å; S31-W35 PolarHBondContact O-N 3.47Å
32L76.9Confident67.6Low91 Ų91109.2 Ų109.248%0.47658%0.577SS.*Hα-helixtrans-70.3-35.3179.5-152.4147000111.4F28 T29 W35 I36F28-L32 HydrophobicContact CD1-CD1 4.23Å; F28-L32 HydrophobicContact CE1-CD1 3.96Å; F28-L32 WeakPolarHBondContact O-CB 3.45Å; F28-L32 PolarHBondContact O-N 2.85Å; T29-L32 PolarHBondContact O-N 3.24Å; L32-W35 PolarHBondContact O-N 3.19Å; L32-I36 HydrophobicContact CD2-CD1 3.71Å; L32-I36 HydrophobicContact CD2-CG1 4.44Å; L32-I36 WeakPolarHBondContact O-CG1 3.38Å; L32-I36 PolarHBondContact O-N 2.77Å
33F75.1Confident67Low150 Ų150109.8 Ų109.866%0.65858%0.582SS**Hα-helixtrans-67.5-39.8172.4-141.9-89.6000112.3T29 V30 I36 C37T29-F33 PolarHBondContact O-N 3.26Å; V30-F33 PolarHBondContact O-N 2.79Å; F33-I36 PolarHBondContact O-N 2.64Å; F33-C37 WeakPolarHBondContact O-CB 3.4Å; F33-C37 PolarHBondContact O-N 3.29Å; F33-C37 PolarHBondContact O-SG 3.42Å
34A73.6Confident66.4Low53 Ų53115.4 Ų115.444%0.43860%0.596SS.*Hα-helixtrans-63.3-43.6174.100000112V30 S31 C37 C38V30-A34 PolarHBondContact O-N 3.39Å; S31-A34 PolarHBondContact O-N 2.95Å; A34-C37 PolarHBondContact O-N 3.41Å; A34-C38 PolarHBondContact O-N 2.83Å; A34-C38 PolarHBondContact O-SG 3.05Å; A34-C38 VanDerWaalsContact O-SG 3.41Å
35W77.6Confident65.2Low186 Ų186113.4 Ų113.471%0.70560%0.6SS**Hα-helixtrans-57.6-51.1174.4-171.8-53.2000111.4S31 L32 C37 C38 Q39S31-W35 PolarHBondContact O-N 3.47Å; L32-W35 PolarHBondContact O-N 3.19Å; W35-C37 VanDerWaalsContact C-N 3.3Å; W35-C37 PolarHBondContact O-N 3.27Å; W35-C38 PolarHBondContact O-N 3.33Å; W35-C38 VanDerWaalsContact O-N 3.14Å; W35-Q39 WeakPolarHBondContact O-CB 3.34Å; W35-Q39 PolarHBondContact O-N 3.27Å
36I77.3Confident64.2Low80 Ų80119.2 Ų119.241%0.4162%0.622SS.*Hα-helixtrans-58.9-42.4179.2-70.6169.9000111L32 F33 Q39 R40L32-I36 HydrophobicContact CD2-CD1 3.71Å; L32-I36 HydrophobicContact CD2-CG1 4.44Å; L32-I36 WeakPolarHBondContact O-CG1 3.38Å; L32-I36 PolarHBondContact O-N 2.77Å; F33-I36 PolarHBondContact O-N 2.64Å; I36-Q39 PolarHBondContact O-N 3.31Å; I36-R40 VanDerWaalsContact O-CB 3.3Å; I36-R40 WeakPolarHBondContact O-CB 3.44Å; I36-R40 PolarHBondContact O-N 2.84Å
37C69.4Low62.9Low70 Ų70122.5 Ų122.547%0.47363%0.631SS.*Hα-helixtrans-61.7-42.5175.4-750000112.8F33 A34 W35 R41F33-C37 WeakPolarHBondContact O-CB 3.4Å; F33-C37 PolarHBondContact O-N 3.29Å; F33-C37 PolarHBondContact O-SG 3.42Å; A34-C37 PolarHBondContact O-N 3.41Å; W35-C37 VanDerWaalsContact C-N 3.3Å; W35-C37 PolarHBondContact O-N 3.27Å; C37-R41 PolarHBondContact O-N 2.88Å
38C67.4Low61.3Low89 Ų89124.6 Ų124.660%0.60165%0.645SS**Hα-helixtrans-67.6-43.3176.6-72.20000112.3A34 W35 R40 R41 S42A34-C38 PolarHBondContact O-N 2.83Å; A34-C38 PolarHBondContact O-SG 3.05Å; A34-C38 VanDerWaalsContact O-SG 3.41Å; W35-C38 PolarHBondContact O-N 3.33Å; W35-C38 VanDerWaalsContact O-N 3.14Å; C38-R40 VanDerWaalsContact C-N 3.33Å; C38-R40 PolarHBondContact O-N 2.69Å; C38-R41 WeakPolarHBondContact O-CB 3.42Å; C38-R41 PolarHBondContact O-N 3.46Å; C38-R41 VanDerWaalsContact O-N 3.07Å; C38-S42 PolarHBondContact O-N 2.86Å
39Q65.4Low59.5Low124 Ų124121.4 Ų121.458%0.57964%0.639SS**Hα-helixtrans-63.6-39.1178.4-164.7173.114.900111.7W35 I36 R41 S42 S43W35-Q39 WeakPolarHBondContact O-CB 3.34Å; W35-Q39 PolarHBondContact O-N 3.27Å; I36-Q39 PolarHBondContact O-N 3.31Å; Q39-R41 PolarHBondContact O-N 2.78Å; Q39-S42 PolarHBondContact O-N 2.9Å; Q39-S43 PolarHBondContact O-N 3.16Å
40R52.4Low57.7Low196 Ų196123.7 Ų123.774%0.7466%0.655SS**Hα-helixtrans-71.5-14.9175.2-153.1174.4-165.8171.84.6113.8I36 C38I36-R40 VanDerWaalsContact O-CB 3.3Å; I36-R40 WeakPolarHBondContact O-CB 3.44Å; I36-R40 PolarHBondContact O-N 2.84Å; C38-R40 VanDerWaalsContact C-N 3.33Å; C38-R40 PolarHBondContact O-N 2.69Å
41R50.7Low55.7Low216 Ų216128.1 Ų128.182%0.81566%0.663SS**Hα-helixtrans-89.8-31172.5-157.1173.7-173.8177.80.8112C37 C38 Q39C37-R41 PolarHBondContact O-N 2.88Å; C38-R41 WeakPolarHBondContact O-CB 3.42Å; C38-R41 PolarHBondContact O-N 3.46Å; C38-R41 VanDerWaalsContact O-N 3.07Å; Q39-R41 PolarHBondContact O-N 2.78Å
42S47.8Very low53.6Low105 Ų105133.5 Ų133.573%0.73468%0.677SS**Hα-helixtrans-72.8-31.4178.5-1720000113.8C38 Q39 K44C38-S42 PolarHBondContact O-N 2.86Å; Q39-S42 PolarHBondContact O-N 2.9Å; S42-K44 PolarHBondContact O-N 2.97Å; S42-K44 VanDerWaalsContact O-N 3.15Å
43S47.3Very low51.8Low95 Ų95137.1 Ų137.166%0.66469%0.689SS**THydrogen-bonded Turntrans-74.61-177.162.50000116Q39 S45Q39-S43 PolarHBondContact O-N 3.16Å; S43-S45 PolarHBondContact O-N 3.41Å
44K46.9Very low50.1Low173 Ų173133.9 Ų133.975%0.75268%0.682SS**  trans-86.583.3175.8-69.8-169.6176.7-174.40111.1S42 N46S42-K44 PolarHBondContact O-N 2.97Å; S42-K44 VanDerWaalsContact O-N 3.15Å; K44-N46 PolarHBondContact O-N 2.89Å
45S38.4Very low48.8Very low105 Ų105135.1 Ų135.173%0.73468%0.679SS**  trans-58.1130174.1-174.10000112S43 K47S43-S45 PolarHBondContact O-N 3.41Å; S45-K47 PolarHBondContact O-N 3.27Å; S45-K47 VanDerWaalsContact O-N 3.14Å
46N47.5Very low46.9Very low159 Ų159130.4 Ų130.485%0.8567%0.67SS**  trans-72.398.9175.9-81-43.5000111.4K44K44-N46 PolarHBondContact O-N 2.89Å
47K37.5Very low45.3Very low186 Ų186130 Ų13081%0.80967%0.668SS**  trans-140.897.1158.3-70.2-168.6179.5-178.90110.5S45 P49S45-K47 PolarHBondContact O-N 3.27Å; S45-K47 VanDerWaalsContact O-N 3.14Å; K47-P49 WeakPolarHBondContact O-CD 3.43Å
48T38.3Very low43.8Very low136 Ų136135.9 Ų135.983%0.83469%0.686SS**  trans-86.4116.2169.446.10000110.2
49P33.8Very low42.6Very low84 Ų84135.3 Ų135.355%0.54570%0.695SS.*  trans-73.5154.3167.428.2-30.1000111.2K47 Y51K47-P49 WeakPolarHBondContact O-CD 3.43Å; P49-Y51 HydrophobicContact CB-CD2 4Å; P49-Y51 HydrophobicContact CB-CE2 3.83Å; P49-Y51 HydrophobicContact CG-CD2 3.78Å; P49-Y51 HydrophobicContact CG-CE2 3.66Å; P49-Y51 PolarHBondContact O-N 3.03Å
50P35.4Very low41.2Very low133 Ų133135 Ų13586%0.86470%0.702SS**  trans-79.191.8-176.132.2-34.5000111.3
51Y34.9Very low40.6Very low188 Ų188133.1 Ų133.174%0.73771%0.706SS**  trans-107.5117.1172.6-79.7-86.7000111.6P49 F53P49-Y51 HydrophobicContact CB-CD2 4Å; P49-Y51 HydrophobicContact CB-CE2 3.83Å; P49-Y51 HydrophobicContact CG-CD2 3.78Å; P49-Y51 HydrophobicContact CG-CE2 3.66Å; P49-Y51 PolarHBondContact O-N 3.03Å; Y51-F53 PolarHBondContact O-N 3.22Å
52K31.7Very low40Very low185 Ų185128.8 Ų128.880%0.80470%0.698SS**  trans-67.9118163.1-73.5-177.7174-178.80108.7V54K52-V54 PolarHBondContact O-N 3.39Å
53F38.6Very low39.4Very low166 Ų166134.1 Ų134.173%0.72870%0.704SS**  trans-74.3107.1171.5-85.4-91.2000109.8Y51Y51-F53 PolarHBondContact O-N 3.22Å
54V39.9Very low38.8Very low83 Ų83135.5 Ų135.550%0.50371%0.71SS.*EExtended strand (participates in β ladder)trans-96.7112.2168.4-177.60000107.8K52 V56K52-V54 PolarHBondContact O-N 3.39Å; V54-V56 VanDerWaalsContact C-N 3.34Å; V54-V56 HydrophobicContact CB-CG2 4.46Å; V54-V56 HydrophobicContact CG1-CG2 3.82Å; V54-V56 PolarHBondContact O-N 3.45Å
55H46.2Very low38.5Very low79 Ų79136.1 Ų136.137%0.36672%0.716SS.*EExtended strand (participates in β ladder)trans-7587.5173.4-80-85.7000110.3L57H55-L57 PolarHBondContact O-N 3.29Å; H55-L57 VanDerWaalsContact O-N 3.15Å
56V38.5Very low38.1Very low87 Ų87138 Ų13853%0.52772%0.718SS.*EExtended strand (participates in β ladder)trans-79.191173.1-176.70000109.4V54 K58 Y226V54-V56 VanDerWaalsContact C-N 3.34Å; V54-V56 HydrophobicContact CB-CG2 4.46Å; V54-V56 HydrophobicContact CG1-CG2 3.82Å; V54-V56 PolarHBondContact O-N 3.45Å; V56-K58 PolarHBondContact O-N 3.06Å; V56-Y226 HydrophobicContact CG1-CE2 4.1Å
57L42.9Very low37.4Very low71 Ų71138.7 Ų138.737%0.37272%0.72SS.*  trans-76.487.9175.5-72.2167.7000111.3H55 V206H55-L57 PolarHBondContact O-N 3.29Å; H55-L57 VanDerWaalsContact O-N 3.15Å; L57-V206 HydrophobicContact CD1-CG1 4.16Å
58K38.4Very low37.1Very low193 Ų193135.8 Ų135.884%0.83972%0.723SS**  trans-83.3116.9144.6-102.2-178.6174.9177.30106.5V56 V60V56-K58 PolarHBondContact O-N 3.06Å; K58-V60 PolarHBondContact O-N 3.31Å
59G42.7Very low36.7Very low78 Ų78134.7 Ų134.780%0.80472%0.721SS**SBendtrans-61.1100.5-161.700000115.4
60V36.3Very low36.7Very low118 Ų118140.6 Ų140.672%0.71574%0.739SS**SBendtrans-148.8140.1154.7-178.50000106.3K58 I62K58-V60 PolarHBondContact O-N 3.31Å; V60-I62 WeakPolarHBondContact O-CG1 3.39Å; V60-I62 PolarHBondContact O-N 3.24Å
61D38.4Very low36.5Very low156 Ų156143.7 Ų143.783%0.83474%0.738SS**  trans-63.3130.4177.3-66.9-66.1000111.8Y63D61-Y63 PolarHBondContact O-N 3.15Å
62I38.8Very low36.4Very low124 Ų124144.4 Ų144.464%0.63675%0.745SS**  trans-100.737.8-173.3-35.7179.9000111.8V60V60-I62 WeakPolarHBondContact O-CG1 3.39Å; V60-I62 PolarHBondContact O-N 3.24Å
63Y35.6Very low36.2Very low218 Ų218145.7 Ų145.786%0.85575%0.751SS**SBendtrans-130.1123.3167.3-76.5-76.9000109.6D61 E65D61-Y63 PolarHBondContact O-N 3.15Å; Y63-E65 PolarHBondContact O-N 3.34Å
64P34.4Very low35.8Very low123 Ų123141.3 Ų141.380%0.79975%0.752SS**  trans-74.5111.4178.929.4-32.6000110.1N66P64-N66 PolarHBondContact O-N 3.17Å
65E39.9Very low35.3Very low187 Ų187140.8 Ų140.887%0.87476%0.764SS**  trans-64.4123.5157.6-72.8-163.6161.400109.1Y63Y63-E65 PolarHBondContact O-N 3.34Å
66N30.8Very low34.5Very low145 Ų145144.7 Ų144.778%0.77579%0.787SS**  trans-165.3119.4157.9-103.1-40.8000110.5P64P64-N66 PolarHBondContact O-N 3.17Å
67L32.2Very low34.2Very low172 Ų172146.1 Ų146.190%0.90179%0.792SS**  161.870.9123.9-84.6167.2000112.5
68S30.7Very low33.7Very low125 Ų125150.8 Ų150.887%0.87481%0.81SS**  trans-157.947.6163.2610000115.8
69S30.8Very low33.2Very low114 Ų114149.6 Ų149.680%0.79781%0.812SS**  trans-128.288.7165.1580000112.4K71S69-K71 PolarHBondContact O-N 3.07Å
70K33.2Very low32.6Very low208 Ų208154.5 Ų154.590%0.90481%0.814SS**  trans-64.2113.2170.9-164.3173.9-171.5173.90108.5K72K70-K72 PolarHBondContact O-N 3.21Å
71K32.6Very low32.4Very low197 Ų197153.2 Ų153.286%0.85782%0.816SS**  trans-50.1123174.9-80.2-178.7173.81790110.3S69S69-K71 PolarHBondContact O-N 3.07Å
72K32.4Very low32Very low204 Ų204155.1 Ų155.189%0.88782%0.817SS**  trans-111.6130151.7-90-168.5171.4-173.10107.9K70K70-K72 PolarHBondContact O-N 3.21Å
73F28Very low31.5Very low212 Ų212156 Ų15693%0.9382%0.823SS**  trans-64.8142.4168.2-90.2-105.7000109.9
74G29.2Very low31.1Very low73 Ų73154.5 Ų154.575%0.75382%0.821SS**  trans-149.4123.9162.200000106.8
75G28.9Very low31Very low72 Ų72154.4 Ų154.474%0.74282%0.82SS**  trans-84.9172.7176.300000112.1
76D30.7Very low30.4Very low161 Ų161149.5 Ų149.586%0.86181%0.812SS**  trans23.9135.6155.4-51.7-19.8000118.7
77D31.3Very low30.3Very low117 Ų117149.1 Ų149.163%0.62681%0.814SS**  -164157.650.7-153.7-4000114
78K32.2Very low30.4Very low170 Ų170147 Ų14774%0.73981%0.811SS**  trans41.8120159.8-77.2149.1-163.21220123.2
79N28.2Very low30.5Very low167 Ų167149.8 Ų149.889%0.89381%0.807SS**  trans-66.6147.7146.7-70.8-50.8000111.7
80E29.8Very low30.4Very low181 Ų181152.5 Ų152.585%0.84681%0.811SS**  trans-145.3142.7140.9-145.5-173.3-168.700110.5
81A32Very low30.1Very low92 Ų92147.2 Ų147.276%0.7680%0.8SS**  trans-121.9141.3-173.400000111.5
82K29.7Very low29.9Very low196 Ų196145.3 Ų145.385%0.85280%0.799SS**  trans-136.8152.9166.7-76.3-171.6177.41660112.7
83N28.8Very low29.6Very low141 Ų141143.4 Ų143.475%0.75479%0.793SS**  trans-110.8144.3-158.8-92.7-58.6000114
84K26.9Very low29.8Very low187 Ų187139.3 Ų139.381%0.81378%0.78SS**  trans62.6169.4143.6-69.6-176.5178.8-178.30119.3
85P33.3Very low29.7Very low122 Ų122142.1 Ų142.179%0.79278%0.777SS**  cis-127.5-171.9-19.126.1-2.5000113.9
86A27.8Very low29.9Very low83 Ų83146.5 Ų146.569%0.68678%0.783SS**  trans-86.2-174.516400000111.2
87V27.7Very low30Very low137 Ų137145.1 Ų145.183%0.8377%0.771SS**  cis-158.8-168.123.4-122.40000107.6
88P35.3Very low30.1Very low128 Ų128149.4 Ų149.483%0.83178%0.784SS**  cis-131.1-128.73.138-14.2000114.7
89K32Very low30.2Very low184 Ų184149 Ų14980%0.878%0.778SS**  trans-103.9161.6-176.8-62.6166.3172.2174.70113.1
90I27.6Very low30.5Very low171 Ų171148.7 Ų148.788%0.87778%0.776SS**  trans-133.7142.1145.3-64.5-177.6000109.6
91S28.3Very low30.6Very low96 Ų96146.7 Ų146.767%0.67177%0.771SS**  trans-147121.8179.854.50000111.9
92L27.8Very low30.6Very low158 Ų158150.5 Ų150.583%0.82778%0.779SS**  trans-156.4141.1165.1-68.1179.2000106.4
93H27.3Very low31Very low164 Ų164144.9 Ų144.976%0.75978%0.776SS**  cis82.4142.34.4-155.544.8000117.9
94L30.8Very low31Very low126 Ų126145.9 Ų145.966%0.6678%0.781SS**  trans63.4145.3-171.8-69.2107.3000116.1
95D27.8Very low31.4Very low131 Ų131146.3 Ų146.370%0.70178%0.783SS**  cis-166.4169.8-25.5-129.9-17.6000109.6
96L32.9Very low31.8Very low164 Ų164146.5 Ų146.586%0.85979%0.785SS**  trans152.3127130.9-95.9117.8000114.6
97E31.8Very low32Very low132 Ų132151.5 Ų151.562%0.61779%0.791SS**  trans-71.9161.7170.2-55.7176.1108.400113.2R99E97-R99 IonicContact OE1-CZ 2.78Å; E97-R99 VanDerWaalsContact OE1-CZ 3.3Å; E97-R99 IonicContact OE1-NH1 2.8Å; E97-R99 PolarHBondContact OE1-NH1 3.24Å; E97-R99 IonicContact OE1-NH2 2.64Å; E97-R99 PolarHBondContact OE1-NH2 3Å; E97-R99 VanDerWaalsContact OE1-NH2 3.08Å; E97-R99 IonicContact OE2-NH1 2.76Å
98K35.2Very low32.1Very low208 Ų208151.6 Ų151.690%0.90479%0.792SS**  -160.7152.7115.7-106.6166.7-172.3-178.30113.3
99R33.6Very low31.7Very low160 Ų160152.4 Ų152.460%0.60479%0.789SS**  trans-94.8166.3-176.7-62.6171.1173.170.410.6110.8E97E97-R99 IonicContact OE1-CZ 2.78Å; E97-R99 VanDerWaalsContact OE1-CZ 3.3Å; E97-R99 IonicContact OE1-NH1 2.8Å; E97-R99 PolarHBondContact OE1-NH1 3.24Å; E97-R99 IonicContact OE1-NH2 2.64Å; E97-R99 PolarHBondContact OE1-NH2 3Å; E97-R99 VanDerWaalsContact OE1-NH2 3.08Å; E97-R99 IonicContact OE2-NH1 2.76Å
100D33.3Very low31.6Very low161 Ų161152.1 Ų152.186%0.86180%0.796SS**  -165.2131.1122.6-80.5-28.2000106.5
101L33.3Very low31.6Very low140 Ų140153.2 Ų153.273%0.73379%0.794SS**  cis77.766.634.2-64.3178.8000116
102N32.3Very low31.7Very low172 Ų172153.6 Ų153.692%0.9280%0.803SS**  trans-133.795.8147.8-103.2-21.1000109.5
103G36.3Very low31.6Very low77 Ų77149.9 Ų149.979%0.79480%0.803SS**  trans-88.8120.1177.700000111.5
104N29.5Very low31.6Very low162 Ų162147.6 Ų147.687%0.86681%0.805SS**  trans-157.3137.6153-130.8-6.8000111.7
105F36.6Very low32.2Very low196 Ų196146.7 Ų146.786%0.8681%0.807SS**  trans-97.9152.9168.1-78.9-88.7000109.7
106P40.5Very low32.3Very low127 Ų127144.9 Ų144.983%0.82581%0.805SS**  trans-125146.1135.312.17.6000112.9
107K32.8Very low32.1Very low188 Ų188143.8 Ų143.882%0.81780%0.8SS**  trans-95142.1171.4-59.6166.5177.3172.20110
108T29.6Very low32.2Very low139 Ų139144.4 Ų144.485%0.85381%0.807SS**  trans-150.7106.3145.241.70000106.9
109N26.9Very low31.8Very low144 Ų144141.9 Ų141.977%0.7780%0.798SS**  43.6109.977.6-81.4-24.3000114.3
110L30.2Very low31.5Very low178 Ų178140.3 Ų140.393%0.93280%0.802SS**  -171.6174.7101.5-95.7168.1000112
111K27.2Very low31.3Very low195 Ų195138.8 Ų138.885%0.84880%0.798SS**  trans-138.7138.3-154.8-172.4-172.4-173.6-174.90110.9
112A30.2Very low31Very low103 Ų103138.3 Ų138.385%0.85180%0.801SS**  trans47.6134.3156.500000121.4
113G25.6Very low31.2Very low81 Ų81134.9 Ų134.984%0.83579%0.788SS**  trans177.611516300000114.5
114S27.5Very low30.7Very low115 Ų115140 Ų14080%0.80479%0.788SS**  trans-98-176.115456.40000108.1
115P43Very low30.4Very low107 Ų107138.6 Ų138.670%0.69578%0.78SS**  cis-142.1-169.19.936.1-11.3000116.7
116S29.4Very low29.9Very low94 Ų94137.9 Ų137.966%0.65778%0.777SS**  trans64.7152.4155.916.50000120.3
117D29.2Very low29.2Very low140 Ų140137.3 Ų137.375%0.74977%0.771SS**  cis-163169.14.4-115.8-29.2000113.2
118L33.3Very low29Very low146 Ų146136.3 Ų136.376%0.76477%0.769SS**  trans67.9141.7155.3-70.8155.8000119.3
119E28.4Very low28.8Very low155 Ų155141.3 Ų141.372%0.72477%0.773SS**  cis-141.1150.29.7-82.9-160.5103.400114.2
120N27.1Very low28.8Very low126 Ų126141.7 Ų141.767%0.67477%0.77SS**  trans38139.5134-52.9-35.8000121
121V27.8Very low28.7Very low129 Ų129140.5 Ų140.578%0.78276%0.757SS**  cis-150.4146.536172.20000111.7
122T27.1Very low28.5Very low131 Ų131139.2 Ų139.280%0.80475%0.754SS**  trans-127149156.8-18.90000108.5
123P37.1Very low28.4Very low99 Ų99138.7 Ų138.764%0.64375%0.75SS**  -143.9179.292.318.65.8000112.3
124K26.3Very low28.3Very low185 Ų185141.5 Ų141.580%0.80475%0.751SS**  cis-159.3137.6-6.2-107.5156.2-169.8176.80104.4
125L23.7Very low28.2Very low133 Ų133140.7 Ų140.770%0.69675%0.746SS**  93.710360-164.187.6000114
126F25.1Very low27.9Very low181 Ų181141.4 Ų141.479%0.79475%0.75SS**  trans65.2159.2147.5-71.2-136000117.4
127T25.5Very low27.8Very low114 Ų114145.7 Ų145.770%0.69976%0.76SS**  cis-150.9170.910.3-19.20000112.3
128E28.8Very low27.9Very low167 Ų167143.6 Ų143.678%0.7876%0.756SS**  trans-55.8159172.6-48.5155.1128.200115.6
129R25.7Very low27.8Very low245 Ų245143.4 Ų143.493%0.92576%0.755SS**  -172.5163.2113.7-103.2172.6-175.3-174.91.4114.8
130E26.3Very low27.9Very low152 Ų152145 Ų14571%0.7176%0.76SS**  trans-89.8171.1-169.5-42.2174114.200115.3
131K28.7Very low28Very low152 Ų152144 Ų14466%0.66176%0.762SS**  trans106.3124.2134.5-89.3165.6-178.5139.80122.2
132E23.7Very low28.1Very low168 Ų168142.5 Ų142.579%0.78576%0.758SS**  trans76.8112.7137.8-77169.7171.500122.7
133A27Very low28.3Very low92 Ų92142.6 Ų142.676%0.7676%0.758SS**  50129.2129.200000121.2
134T23.8Very low27.9Very low140 Ų140143.7 Ų143.786%0.85977%0.768SS**  -175.7144.1114.3-71.60000109.7
135S26.4Very low28.6Very low99 Ų99143 Ų14369%0.69277%0.772SS**  trans-95.6147.6172-176.70000110.3
136P34.7Very low28.8Very low121 Ų121142.6 Ų142.679%0.78678%0.776SS**  -144.3167.9110.234.3-17.6000115.9
137E27.6Very low29.3Very low184 Ų184139.6 Ų139.686%0.8678%0.777SS**  trans-66.5167.2171.1-41.6168.6120.800110.6
138S31Very low29.7Very low97 Ų97142.3 Ų142.368%0.67878%0.782SS**  cis-169.116124.357.20000113.1
139L31.9Very low30.1Very low141 Ų141143.4 Ų143.474%0.73879%0.787SS**  trans66.5121.8146.3-71.8164.3000124.1
140K31.3Very low30.8Very low190 Ų190141.2 Ų141.283%0.82678%0.784SS**  trans74.5138.7152.2-59.1167.7-172.3177.20116.6
141S28.7Very low31.9Very low104 Ų104142.6 Ų142.673%0.72779%0.79SS**  cis-162.2169.1-0.349.30000112.7
142S29.1Very low33.8Very low98 Ų98142.3 Ų142.369%0.68579%0.791SS**  trans64.5106.6152.653.80000121.1
143T31.6Very low36.7Very low133 Ų133142.7 Ų142.782%0.81679%0.79SS**  trans73.9100.8130.9-400000119.5
144S30Very low39.8Very low121 Ų121139 Ų13985%0.84676%0.758SS**  trans-157141.6131.724.80000111.8T146S144-T146 PolarHBondContact O-N 2.99Å
145L40.5Very low43.2Very low171 Ų171132.9 Ų132.990%0.89572%0.723SS**  trans-67.8118.5-171.5-64.4154.5000112.6
146T27.4Very low46.6Very low125 Ų125129.9 Ų129.977%0.76770%0.7SS**  trans-129.898.7146.943.10000108.4S144 E148S144-T146 PolarHBondContact O-N 2.99Å; T146-E148 PolarHBondContact O-N 2.99Å
147S35.3Very low49.6Very low117 Ų117124.1 Ų124.182%0.81866%0.663SS**  trans-73.882.3168.6540000108.8E149S147-E149 PolarHBondContact O-N 2.82Å
148E33.7Very low52.9Low171 Ų171117.9 Ų117.980%0.79963%0.633SS**  trans-58.1120.2160.8-66.9-174.1163.900107.7T146 K150T146-E148 PolarHBondContact O-N 2.99Å; E148-K150 VanDerWaalsContact C-N 3.28Å; E148-K150 PolarHBondContact O-N 2.88Å
149E38.8Very low56.1Low191 Ų191113.3 Ų113.389%0.89360%0.601SS**  trans-63.394.1172.1-70.1-171.7151.300108.2S147 Q151S147-E149 PolarHBondContact O-N 2.82Å; E149-Q151 VanDerWaalsContact C-N 3.27Å; E149-Q151 PolarHBondContact O-N 2.77Å
150K40.2Very low59.2Low198 Ų198106.7 Ų106.786%0.86157%0.566SS**  trans-68.988.4-177.1-157.7178.1-168.5178.80108.7E148 E152E148-K150 VanDerWaalsContact C-N 3.28Å; E148-K150 PolarHBondContact O-N 2.88Å; K150-E152 PolarHBondContact O-N 2.8Å
151Q49.6Very low62.3Low181 Ų18197.6 Ų97.685%0.84653%0.527SS*.  trans-56.3109.7-172.9-156.7172.128.300109.6E149 K153E149-Q151 VanDerWaalsContact C-N 3.27Å; E149-Q151 PolarHBondContact O-N 2.77Å; Q151-K153 PolarHBondContact O-N 3.45Å
152E66.8Low65.5Low146 Ų14695.6 Ų95.668%0.68251%0.506SS*.  trans-60.6108.3-175.1-66.6176.8147.600109.9K150 L154 K279K150-E152 PolarHBondContact O-N 2.8Å; E152-L154 PolarHBondContact O-N 3.08Å; E152-K279 IonicContact OE2-NZ 3.57Å
153K85.2Confident68.7Low176 Ų17691.5 Ų91.577%0.76548%0.476SS*.  trans-72.1127.6174.5-63.5-169.2176.3-164.50108.7Q151 G155Q151-K153 PolarHBondContact O-N 3.45Å; K153-G155 VanDerWaalsContact C-N 3.32Å
154L92.5Very high71.7Confident16 Ų1686.9 Ų86.98%0.08445%0.446CS..  trans-96.816.4-176.1-55.7168.8000113.1E152 P181 I277 K279E152-L154 PolarHBondContact O-N 3.08Å; L154-P181 HydrophobicContact CD2-CG 3.95Å; L154-I277 HydrophobicContact CB-CB 4.19Å; L154-I277 HydrophobicContact CB-CG2 3.94Å; L154-I277 WeakPolarHBondContact O-CD1 3.02Å; L154-K279 HydrophobicContact CD1-CB 3.61Å; L154-K279 HydrophobicContact CD1-CG 4.06Å; L154-K279 VanDerWaalsContact CD1-N 3.31Å
155G94.8Very high74.6Confident11 Ų1185.9 Ų85.911%0.11343%0.426CS..  trans88.6-175.5-177.500000114.8K153 Q178 G179 I277K153-G155 VanDerWaalsContact C-N 3.32Å; G155-Q178 CarbonylContact C-O 3.57Å; G155-Q178 WeakPolarHBondContact CA-O 3.37Å; G155-G179 WeakPolarHBondContact CA-O 3.28Å; G155-G179 PolarHBondContact N-O 2.82Å; G155-I277 WeakPolarHBondContact O-CB 3.28Å; G155-I277 PolarHBondContact O-N 3.45Å
156T97.5Very high77Confident35 Ų3586 Ų8622%0.21542%0.423CS..EExtended strand (participates in β ladder)trans-130133.2-176.9-60.40000110F158 A177 Q178 N274T156-F158 HydrophobicContact CG2-CD2 4.27Å; T156-F158 HydrophobicContact CG2-CE2 3.71Å; T156-F158 HydrophobicContact CG2-CZ 3.92Å; T156-A177 CarbonylContact O-C 3.6Å; T156-A177 VanDerWaalsContact O-CA 3.23Å; T156-A177 WeakPolarHBondContact O-CA 3.1Å; T156-Q178 PolarHBondContact N-O 2.86Å; T156-Q178 PolarHBondContact O-N 3.25Å; T156-N274 HydrophobicContact CG2-CB 3.88Å
157L97.9Very high80Confident0 Ų086.1 Ų86.10%041%0.412CS..EExtended strand (participates in β ladder)trans-94.2127.9174.7178.660.1000110.6L159 I174 A177 I194 F240 V257 N274 R275 I277L157-L159 HydrophobicContact CD2-CD2 4.3Å; L157-L159 HydrophobicContact CG-CD2 4.11Å; L157-I174 HydrophobicContact CD1-CG2 4.2Å; L157-A177 HydrophobicContact CD1-CB 4.42Å; L157-I194 HydrophobicContact CD1-CD1 3.4Å; L157-I194 VanDerWaalsContact CD1-CD1 3.4Å; L157-I194 HydrophobicContact CD2-CD1 4.47Å; L157-F240 HydrophobicContact CD2-CB 3.89Å; L157-F240 HydrophobicContact CD2-CD1 4.12Å; L157-F240 HydrophobicContact CD2-CD2 3.99Å; L157-F240 HydrophobicContact CD2-CG 3.73Å; L157-V257 HydrophobicContact CB-CG2 4.15Å; L157-V257 HydrophobicContact CD2-CB 4.26Å; L157-V257 HydrophobicContact CD2-CG2 4.07Å; L157-N274 CarbonylContact O-C 3.55Å; L157-N274 WeakPolarHBondContact O-CA 3.15Å; L157-R275 PolarHBondContact N-O 3.2Å; L157-R275 PolarHBondContact O-N 2.96Å; L157-I277 HydrophobicContact CB-CG1 4.26Å
158F98.1Very high82.7Confident53 Ų5387.2 Ų87.223%0.23240%0.402CS..EExtended strand (participates in β ladder)trans-107.8128.9175.1-63.7-99.7000110.3T156 K175 E176 Q178 N274T156-F158 HydrophobicContact CG2-CD2 4.27Å; T156-F158 HydrophobicContact CG2-CE2 3.71Å; T156-F158 HydrophobicContact CG2-CZ 3.92Å; F158-K175 HydrophobicContact CB-CB 4.45Å; F158-K175 WeakPolarHBondContact O-CB 3.41Å; F158-K175 PolarHBondContact O-N 3.49Å; F158-E176 HydrophobicContact CB-CG 3.84Å; F158-E176 HydrophobicContact CD2-CG 4.06Å; F158-E176 HydrophobicContact CG-CG 4.15Å; F158-E176 PolarHBondContact N-O 3.02Å; F158-E176 PolarHBondContact O-N 3.28Å; F158-Q178 HydrophobicContact CD2-CG 4.16Å; F158-Q178 HydrophobicContact CE2-CB 4.04Å; F158-Q178 VanDerWaalsContact CE2-CD 3.46Å; F158-Q178 HydrophobicContact CE2-CG 3.68Å; F158-N274 HydrophobicContact CD1-CB 3.62Å; F158-N274 HydrophobicContact CE1-CB 3.68Å; F158-N274 HydrophobicContact CG-CB 4.2Å; F158-N274 HydrophobicContact CZ-CB 4.29Å
159L97.8Very high85.5Confident2 Ų279.1 Ų79.11%0.0137%0.365CS..EExtended strand (participates in β ladder)trans-146.5177.2-177.966.1132.7000111.7L157 L161 N173 F240 I259 M273L157-L159 HydrophobicContact CD2-CD2 4.3Å; L157-L159 HydrophobicContact CG-CD2 4.11Å; L159-L161 HydrophobicContact CD1-CD1 4.49Å; L159-L161 HydrophobicContact CD1-CD2 3.7Å; L159-L161 HydrophobicContact CD1-CG 3.99Å; L159-N173 CarbonylContact C-O 3.54Å; L159-N173 VanDerWaalsContact CA-O 3.31Å; L159-N173 WeakPolarHBondContact CA-O 3.41Å; L159-F240 HydrophobicContact CD1-CE2 4.37Å; L159-F240 HydrophobicContact CD1-CZ 4.09Å; L159-I259 HydrophobicContact CD1-CD1 3.96Å; L159-I259 HydrophobicContact CD2-CD1 3.72Å; L159-I259 HydrophobicContact CG-CD1 4.47Å; L159-M273 HydrophobicContact CD1-CG 4.11Å; L159-M273 HydrophobicContact CD1-SD 4.36Å; L159-M273 HydrophobicContact CD2-CG 4.25Å; L159-M273 HydrophobicContact CG-CG 3.91Å; L159-M273 PolarHBondContact N-O 2.67Å; L159-M273 PolarHBondContact O-N 2.78Å; L159-M273 VanDerWaalsContact O-O 3.05Å
160S97Very high88.2Confident1 Ų170 Ų701%0.00732%0.322CS..EExtended strand (participates in β ladder)trans-147.8147.9170.549.20000112.4N173 K270 M271 L272S160-N173 PolarHBondContact N-O 3.01Å; S160-N173 PolarHBondContact O-N 2.94Å; S160-N173 WeakPolarHBondContact OG-CB 3.37Å; S160-N173 PolarHBondContact OG-OD1 2.86Å; S160-K270 WeakPolarHBondContact OG-CE 3.13Å; S160-K270 PolarHBondContact OG-NZ 3.38Å; S160-M271 CarbonylContact C-O 3.45Å; S160-M271 WeakPolarHBondContact CA-O 3.15Å; S160-M271 WeakPolarHBondContact CB-O 3.46Å; S160-L272 VanDerWaalsContact CB-CD2 3.45Å
161L96.6Very high90.8Very high0 Ų061.6 Ų61.60%029%0.287CS..EExtended strand (participates in β ladder)trans-123.9138-173.3-55.8179.9000108.7L159 F170 V171 V172 L238 L261 I264 L266 M271 M273L159-L161 HydrophobicContact CD1-CD1 4.49Å; L159-L161 HydrophobicContact CD1-CD2 3.7Å; L159-L161 HydrophobicContact CD1-CG 3.99Å; L161-F170 HydrophobicContact CB-CE2 4.35Å; L161-F170 HydrophobicContact CD2-CE2 4.39Å; L161-F170 HydrophobicContact CD2-CZ 4.05Å; L161-V171 WeakPolarHBondContact CA-O 3.47Å; L161-V172 HydrophobicContact CD2-CB 4.28Å; L161-V172 HydrophobicContact CD2-CG1 3.92Å; L161-V172 HydrophobicContact CD2-CG2 3.84Å; L161-L238 HydrophobicContact CD1-CD1 4.46Å; L161-L238 HydrophobicContact CD2-CD1 3.52Å; L161-L261 HydrophobicContact CD1-CD2 3.82Å; L161-I264 HydrophobicContact CD1-CD1 4.18Å; L161-L266 HydrophobicContact CB-CD1 4.42Å; L161-L266 HydrophobicContact CB-CD2 3.84Å; L161-M271 HydrophobicContact CB-CB 4.48Å; L161-M271 PolarHBondContact N-O 2.87Å; L161-M271 PolarHBondContact O-N 3.08Å; L161-M273 HydrophobicContact CD1-CE 4.44Å; L161-M273 HydrophobicContact CD1-SD 4.28Å
162E95.9Very high93.1Very high62 Ų6253 Ų5329%0.2925%0.247SC..EExtended strand (participates in β ladder)trans-149.9145.1-179.9-177.5-172.2142.500108.3F170 V171 K270E162-F170 WeakPolarHBondContact O-CD2 3.4Å; E162-V171 HydrophobicContact CB-CB 4.25Å; E162-V171 PolarHBondContact N-O 2.84Å; E162-V171 PolarHBondContact O-N 2.89Å; E162-K270 HydrophobicContact CB-CB 4.39Å; E162-K270 HydrophobicContact CB-CG 4.49Å; E162-K270 HydrophobicContact CG-CB 4.43Å
163Y95.5Very high94.5Very high12 Ų1246.2 Ų46.25%0.04722%0.215CC..EExtended strand (participates in β ladder)trans-116.3118.2171.4-171.8-89.1000110.7F165 K168 F170 I228 Y230 I233Y163-F165 AromaticContact CD1-CD1 3.79Å; Y163-F165 HydrophobicContact CD1-CD1 3.79Å; Y163-F165 AromaticContact CD1-CD2 3.97Å; Y163-F165 HydrophobicContact CD1-CD2 3.97Å; Y163-F165 AromaticContact CD1-CE1 3.81Å; Y163-F165 HydrophobicContact CD1-CE1 3.81Å; Y163-F165 AromaticContact CD1-CE2 3.98Å; Y163-F165 HydrophobicContact CD1-CE2 3.98Å; Y163-F165 AromaticContact CD1-CG 3.87Å; Y163-F165 HydrophobicContact CD1-CG 3.87Å; Y163-F165 AromaticContact CD1-CZ 3.91Å; Y163-F165 HydrophobicContact CD1-CZ 3.91Å; Y163-F165 AromaticContact CE1-CD1 3.75Å; Y163-F165 HydrophobicContact CE1-CD1 3.75Å; Y163-F165 HydrophobicContact CE1-CE1 4.03Å; Y163-F165 HydrophobicContact CE1-CG 4.07Å; Y163-F165 WeakPolarHBondContact O-CD2 3.38Å; Y163-F165 PolarHBondContact O-N 2.8Å; Y163-K168 WeakPolarHBondContact OH-CA 3Å; Y163-F170 HydrophobicContact CD2-CB 4.13Å; Y163-F170 HydrophobicContact CE2-CB 4.48Å; Y163-I228 VanDerWaalsContact CE2-O 3.31Å; Y163-I228 WeakPolarHBondContact CE2-O 3.45Å; Y163-I228 PolarHBondContact OH-O 2.94Å; Y163-Y230 AromaticContact CD1-CD2 3.56Å; Y163-Y230 HydrophobicContact CD1-CD2 3.56Å; Y163-Y230 HydrophobicContact CD1-CE2 4.38Å; Y163-Y230 HydrophobicContact CD1-CG 4.33Å; Y163-Y230 HydrophobicContact CD2-CD2 4.12Å; Y163-Y230 AromaticContact CE1-CD2 3.99Å; Y163-Y230 HydrophobicContact CE1-CD2 3.99Å; Y163-Y230 HydrophobicContact CE1-CG 4.34Å; Y163-Y230 AromaticContact CG-CD2 3.63Å; Y163-Y230 HydrophobicContact CG-CD2 3.63Å; Y163-Y230 HydrophobicContact CG-CE2 4.31Å; Y163-Y230 PolarHBondContact OH-N 2.72Å; Y163-Y230 VanDerWaalsContact OH-N 3.13Å; Y163-I233 HydrophobicContact CD2-CD1 4.04Å; Y163-I233 HydrophobicContact CD2-CG1 4.03Å; Y163-I233 HydrophobicContact CE2-CD1 4.2Å; Y163-I233 HydrophobicContact CE2-CG1 4.17Å
164N93.9Very high95.2Very high36 Ų3637.9 Ų37.919%0.19318%0.179CC..EExtended strand (participates in β ladder)trans-88.1104.1176.4-172.5-72.3000109.7E166 K167 K168 A169N164-E166 PolarHBondContact OD1-N 2.88Å; N164-K167 VanDerWaalsContact OD1-CB 3.25Å; N164-K167 WeakPolarHBondContact OD1-CB 3.05Å; N164-K167 WeakPolarHBondContact OD1-CG 3.27Å; N164-K167 PolarHBondContact OD1-N 3.03Å; N164-K168 WeakPolarHBondContact O-CA 3.41Å; N164-K168 PolarHBondContact O-N 3.05Å; N164-A169 PolarHBondContact N-O 2.83Å; N164-A169 PolarHBondContact O-N 2.96Å; N164-A169 VanDerWaalsContact O-N 3.08Å
165F91.6Very high95.4Very high100 Ų10040.2 Ų40.244%0.43919%0.189SC..THydrogen-bonded Turntrans-65-40-177.8-69.6-87.3000113.6Y163 K167 K168 Y230Y163-F165 AromaticContact CD1-CD1 3.79Å; Y163-F165 HydrophobicContact CD1-CD1 3.79Å; Y163-F165 AromaticContact CD1-CD2 3.97Å; Y163-F165 HydrophobicContact CD1-CD2 3.97Å; Y163-F165 AromaticContact CD1-CE1 3.81Å; Y163-F165 HydrophobicContact CD1-CE1 3.81Å; Y163-F165 AromaticContact CD1-CE2 3.98Å; Y163-F165 HydrophobicContact CD1-CE2 3.98Å; Y163-F165 AromaticContact CD1-CG 3.87Å; Y163-F165 HydrophobicContact CD1-CG 3.87Å; Y163-F165 AromaticContact CD1-CZ 3.91Å; Y163-F165 HydrophobicContact CD1-CZ 3.91Å; Y163-F165 AromaticContact CE1-CD1 3.75Å; Y163-F165 HydrophobicContact CE1-CD1 3.75Å; Y163-F165 HydrophobicContact CE1-CE1 4.03Å; Y163-F165 HydrophobicContact CE1-CG 4.07Å; Y163-F165 WeakPolarHBondContact O-CD2 3.38Å; Y163-F165 PolarHBondContact O-N 2.8Å; F165-K167 PolarHBondContact O-N 3.07Å; F165-K168 PolarHBondContact O-N 2.87Å; F165-Y230 HydrophobicContact CE1-CD1 4.18Å; F165-Y230 AromaticContact CE1-CD2 3.61Å; F165-Y230 HydrophobicContact CE1-CD2 3.61Å; F165-Y230 AromaticContact CE1-CE2 3.98Å; F165-Y230 HydrophobicContact CE1-CE2 3.98Å; F165-Y230 AromaticContact CE1-CG 3.71Å; F165-Y230 HydrophobicContact CE1-CG 3.71Å; F165-Y230 HydrophobicContact CE2-CE2 4.47Å; F165-Y230 AromaticContact CZ-CD2 3.59Å; F165-Y230 HydrophobicContact CZ-CD2 3.59Å; F165-Y230 HydrophobicContact CZ-CE1 4.48Å; F165-Y230 AromaticContact CZ-CE2 3.5Å; F165-Y230 HydrophobicContact CZ-CE2 3.5Å; F165-Y230 HydrophobicContact CZ-CG 4.12Å; F165-Y230 AromaticContact CZ-CZ 3.99Å
166E90.9Very high95.5Very high174 Ų17442.3 Ų42.381%0.81320%0.196SC*.THydrogen-bonded Turntrans-59.4-45179-57.5177.9159.900112N164N164-E166 PolarHBondContact OD1-N 2.88Å
167K89.9Confident95.6Very high127 Ų12740.7 Ų40.755%0.55219%0.185SC*.THydrogen-bonded Turntrans-93.6-2.5-175.4-62.1170.9-174.2168.40113.1N164 F165 A169 Y226N164-K167 VanDerWaalsContact OD1-CB 3.25Å; N164-K167 WeakPolarHBondContact OD1-CB 3.05Å; N164-K167 WeakPolarHBondContact OD1-CG 3.27Å; N164-K167 PolarHBondContact OD1-N 3.03Å; F165-K167 PolarHBondContact O-N 3.07Å; K167-A169 VanDerWaalsContact C-N 3.28Å; K167-A169 HydrophobicContact CB-CB 4.05Å; K167-A169 PolarHBondContact O-N 3.17Å; K167-Y226 HydrophobicContact CB-CE1 4.28Å
168K91.6Very high95.5Very high140 Ų14044.6 Ų44.661%0.60920%0.204SC*.THydrogen-bonded Turntrans46.154-172.2-59.1-179.3-178.4-179.90111.1Y163 N164 F165 G227Y163-K168 WeakPolarHBondContact OH-CA 3Å; N164-K168 WeakPolarHBondContact O-CA 3.41Å; N164-K168 PolarHBondContact O-N 3.05Å; F165-K168 PolarHBondContact O-N 2.87Å; K168-G227 PolarHBondContact O-N 3.2Å
169A93.2Very high95.3Very high1 Ų144.1 Ų44.11%0.00821%0.213CC..EExtended strand (participates in β ladder)trans-132.8125.6-168.800000111.4N164 K167 T224 F225 Y226N164-A169 PolarHBondContact N-O 2.83Å; N164-A169 PolarHBondContact O-N 2.96Å; N164-A169 VanDerWaalsContact O-N 3.08Å; K167-A169 VanDerWaalsContact C-N 3.28Å; K167-A169 HydrophobicContact CB-CB 4.05Å; K167-A169 PolarHBondContact O-N 3.17Å; A169-T224 HydrophobicContact CB-CG2 3.79Å; A169-F225 WeakPolarHBondContact CA-O 3.43Å; A169-Y226 HydrophobicContact CB-CD1 3.62Å; A169-Y226 HydrophobicContact CB-CE1 3.85Å; A169-Y226 HydrophobicContact CB-CG 4.28Å
170F94.8Very high95.3Very high0 Ų044.3 Ų44.30%021%0.214CC..EExtended strand (participates in β ladder)trans-86.8131.2173.3178.6-136000109.9L161 E162 Y163 V172 I198 F225 I233 L238 L261 L266L161-F170 HydrophobicContact CB-CE2 4.35Å; L161-F170 HydrophobicContact CD2-CE2 4.39Å; L161-F170 HydrophobicContact CD2-CZ 4.05Å; E162-F170 WeakPolarHBondContact O-CD2 3.4Å; Y163-F170 HydrophobicContact CD2-CB 4.13Å; Y163-F170 HydrophobicContact CE2-CB 4.48Å; F170-V172 HydrophobicContact CD1-CG2 4.21Å; F170-V172 HydrophobicContact CE1-CG2 3.67Å; F170-V172 HydrophobicContact CE2-CG2 4.36Å; F170-V172 HydrophobicContact CZ-CG2 3.75Å; F170-I198 HydrophobicContact CD1-CD1 4.47Å; F170-F225 HydrophobicContact CB-CB 4.45Å; F170-F225 HydrophobicContact CD1-CD2 4.36Å; F170-F225 PolarHBondContact N-O 2.84Å; F170-F225 PolarHBondContact O-N 2.76Å; F170-I233 HydrophobicContact CB-CD1 3.79Å; F170-I233 HydrophobicContact CD1-CD1 4.06Å; F170-I233 HydrophobicContact CD2-CD1 3.98Å; F170-I233 HydrophobicContact CG-CD1 3.69Å; F170-L238 HydrophobicContact CE1-CD1 4.37Å; F170-L238 HydrophobicContact CE1-CD2 4.01Å; F170-L238 HydrophobicContact CZ-CD1 4.17Å; F170-L261 HydrophobicContact CE1-CD1 3.66Å; F170-L261 HydrophobicContact CE2-CD1 4.4Å; F170-L261 HydrophobicContact CZ-CD1 3.48Å; F170-L261 VanDerWaalsContact CZ-CD1 3.48Å; F170-L261 HydrophobicContact CZ-CD2 4.47Å; F170-L266 HydrophobicContact CD2-CD1 4.11Å; F170-L266 HydrophobicContact CE2-CD1 3.63Å
171V95.8Very high95.1Very high20 Ų2045.8 Ų45.812%0.12122%0.224CC..EExtended strand (participates in β ladder)trans-118.3126.9-174.1-176.60000109.4L161 E162 T222 F223 T224L161-V171 WeakPolarHBondContact CA-O 3.47Å; E162-V171 HydrophobicContact CB-CB 4.25Å; E162-V171 PolarHBondContact N-O 2.84Å; E162-V171 PolarHBondContact O-N 2.89Å; V171-T222 HydrophobicContact CG1-CG2 3.49Å; V171-T222 VanDerWaalsContact CG1-CG2 3.49Å; V171-F223 WeakPolarHBondContact CA-O 3.42Å; V171-T224 HydrophobicContact CG2-CG2 4.12Å
172V97.1Very high94.9Very high0 Ų047.6 Ų47.60%024%0.239CC..EExtended strand (participates in β ladder)trans-121.3116.7175-175.80000108.6L161 F170 I174 M196 F223 F225 L238 F240L161-V172 HydrophobicContact CD2-CB 4.28Å; L161-V172 HydrophobicContact CD2-CG1 3.92Å; L161-V172 HydrophobicContact CD2-CG2 3.84Å; F170-V172 HydrophobicContact CD1-CG2 4.21Å; F170-V172 HydrophobicContact CE1-CG2 3.67Å; F170-V172 HydrophobicContact CE2-CG2 4.36Å; F170-V172 HydrophobicContact CZ-CG2 3.75Å; V172-I174 HydrophobicContact CG1-CG1 4.45Å; V172-M196 HydrophobicContact CB-CE 4.29Å; V172-M196 HydrophobicContact CB-SD 4.02Å; V172-M196 HydrophobicContact CG1-CE 4.49Å; V172-M196 HydrophobicContact CG1-SD 3.72Å; V172-M196 HydrophobicContact CG2-CE 4Å; V172-M196 HydrophobicContact CG2-SD 4.31Å; V172-F223 PolarHBondContact N-O 3.19Å; V172-F223 PolarHBondContact O-N 3.11Å; V172-F225 HydrophobicContact CB-CE2 4.4Å; V172-F225 HydrophobicContact CG2-CD2 4.49Å; V172-F225 HydrophobicContact CG2-CE2 4.14Å; V172-L238 HydrophobicContact CG1-CD1 4.24Å; V172-L238 HydrophobicContact CG2-CD1 3.92Å; V172-L238 HydrophobicContact CG2-CD2 4.43Å; V172-F240 HydrophobicContact CG1-CE1 4.31Å; V172-F240 HydrophobicContact CG1-CZ 4.1Å
173N97.8Very high94.5Very high5 Ų547.7 Ų47.73%0.02724%0.24CC..EExtended strand (participates in β ladder)trans-107.4109.2175.4163.3-114.1000108.9L159 S160 K175 D220 E221 T222 K270L159-N173 CarbonylContact C-O 3.54Å; L159-N173 VanDerWaalsContact CA-O 3.31Å; L159-N173 WeakPolarHBondContact CA-O 3.41Å; S160-N173 PolarHBondContact N-O 3.01Å; S160-N173 PolarHBondContact O-N 2.94Å; S160-N173 WeakPolarHBondContact OG-CB 3.37Å; S160-N173 PolarHBondContact OG-OD1 2.86Å; N173-K175 PolarHBondContact O-N 2.92Å; N173-K175 WeakPolarHBondContact OD1-CG 3.49Å; N173-D220 PolarHBondContact ND2-OD1 2.85Å; N173-E221 CarbonylContact C-O 3.53Å; N173-E221 WeakPolarHBondContact CA-O 3.08Å; N173-T222 HydrophobicContact CB-CG2 4.33Å; N173-T222 PolarHBondContact ND2-OG1 2.98Å; N173-T222 VanDerWaalsContact ND2-OG1 3.12Å; N173-K270 PolarHBondContact OD1-NZ 3.4Å
174I98Very high93.9Very high0 Ų050.2 Ų50.20%025%0.254CS..EExtended strand (participates in β ladder)trans-83.6109.3175.2-56.8-174.2000106.5L157 V172 I194 M196 T208 F219 D220 E221 F223 F240L157-I174 HydrophobicContact CD1-CG2 4.2Å; V172-I174 HydrophobicContact CG1-CG1 4.45Å; I174-I194 HydrophobicContact CD1-CG2 4.15Å; I174-I194 HydrophobicContact CG2-CD1 3.97Å; I174-M196 HydrophobicContact CD1-CB 4.28Å; I174-T208 HydrophobicContact CB-CG2 4.42Å; I174-T208 HydrophobicContact CD1-CG2 3.95Å; I174-T208 HydrophobicContact CG2-CG2 4.23Å; I174-F219 HydrophobicContact CG2-CB 4.35Å; I174-F219 HydrophobicContact CG2-CD2 3.97Å; I174-F219 HydrophobicContact CG2-CG 4.38Å; I174-D220 WeakPolarHBondContact O-CA 3.16Å; I174-D220 PolarHBondContact O-N 3.42Å; I174-E221 PolarHBondContact N-O 3.33Å; I174-E221 PolarHBondContact O-N 2.88Å; I174-F223 HydrophobicContact CD1-CD2 4.2Å; I174-F223 HydrophobicContact CD1-CE2 3.76Å; I174-F223 HydrophobicContact CG1-CD2 4.29Å; I174-F223 HydrophobicContact CG1-CE2 4.09Å; I174-F240 HydrophobicContact CD1-CD1 3.91Å; I174-F240 HydrophobicContact CD1-CE1 3.69Å; I174-F240 HydrophobicContact CG1-CE1 3.96Å
175K97.5Very high93.1Very high65 Ų6557 Ų5728%0.28329%0.285SS..EExtended strand (participates in β ladder)trans-83.6-66.9-173.1-67.1-175.5171.3-168.60110.9F158 N173 V218 F219 D220F158-K175 HydrophobicContact CB-CB 4.45Å; F158-K175 WeakPolarHBondContact O-CB 3.41Å; F158-K175 PolarHBondContact O-N 3.49Å; N173-K175 PolarHBondContact O-N 2.92Å; N173-K175 WeakPolarHBondContact OD1-CG 3.49Å; K175-V218 CarbonylContact O-C 3.56Å; K175-F219 WeakPolarHBondContact O-CA 3.48Å; K175-F219 PolarHBondContact O-N 3Å; K175-D220 PolarHBondContact O-N 3.19Å
176E97.9Very high92.6Very high56 Ų5661.1 Ų61.126%0.26231%0.306SS..EExtended strand (participates in β ladder)trans-158.7161.9-172.159.1-172.1-144.800110.8F158 Q178 P217 V218F158-E176 HydrophobicContact CB-CG 3.84Å; F158-E176 HydrophobicContact CD2-CG 4.06Å; F158-E176 HydrophobicContact CG-CG 4.15Å; F158-E176 PolarHBondContact N-O 3.02Å; F158-E176 PolarHBondContact O-N 3.28Å; E176-Q178 PolarHBondContact OE1-NE2 2.81Å; E176-P217 CarbonylContact C-O 3.52Å; E176-P217 WeakPolarHBondContact CA-O 3.35Å; E176-P217 VanDerWaalsContact CB-O 3.31Å; E176-P217 WeakPolarHBondContact CB-O 3.46Å; E176-V218 HydrophobicContact CB-CB 4.45Å; E176-V218 HydrophobicContact CB-CG2 4.19Å
177A97.8Very high92.2Very high0 Ų054.4 Ų54.40%028%0.278CS..EExtended strand (participates in β ladder)trans-118.4152.4158.900000108.9T156 L157 L180 D216 P217 I277T156-A177 CarbonylContact O-C 3.6Å; T156-A177 VanDerWaalsContact O-CA 3.23Å; T156-A177 WeakPolarHBondContact O-CA 3.1Å; L157-A177 HydrophobicContact CD1-CB 4.42Å; A177-L180 HydrophobicContact CB-CD1 4.27Å; A177-L180 HydrophobicContact CB-CD2 4Å; A177-L180 HydrophobicContact CB-CG 4.22Å; A177-D216 CarbonylContact O-C 3.12Å; A177-D216 VanDerWaalsContact O-C 3.31Å; A177-D216 VanDerWaalsContact O-CA 3.25Å; A177-D216 WeakPolarHBondContact O-CA 3.21Å; A177-P217 HydrophobicContact CB-CG 3.97Å; A177-P217 PolarHBondContact N-O 2.9Å; A177-P217 VanDerWaalsContact O-CD 3.27Å; A177-P217 WeakPolarHBondContact O-CD 3.38Å; A177-I277 HydrophobicContact CB-CD1 4.43Å
178Q96.9Very high92.2Very high83 Ų8354.8 Ų54.839%0.38828%0.284SS..EExtended strand (participates in β ladder)trans-128.6144.6178.9-62179.7-0.600110.5G155 T156 F158 E176 D216G155-Q178 CarbonylContact C-O 3.57Å; G155-Q178 WeakPolarHBondContact CA-O 3.37Å; T156-Q178 PolarHBondContact N-O 2.86Å; T156-Q178 PolarHBondContact O-N 3.25Å; F158-Q178 HydrophobicContact CD2-CG 4.16Å; F158-Q178 HydrophobicContact CE2-CB 4.04Å; F158-Q178 VanDerWaalsContact CE2-CD 3.46Å; F158-Q178 HydrophobicContact CE2-CG 3.68Å; E176-Q178 PolarHBondContact OE1-NE2 2.81Å; Q178-D216 WeakPolarHBondContact CA-OD1 3.36Å
179G94.8Very high92.2Very high42 Ų4249.5 Ų49.543%0.43326%0.263SS..SBendtrans65.936.2174.800000114.5G155 L215 D216G155-G179 WeakPolarHBondContact CA-O 3.28Å; G155-G179 PolarHBondContact N-O 2.82Å; G179-L215 PolarHBondContact N-O 2.85Å; G179-D216 PolarHBondContact N-OD1 2.9Å
180L96Very high92.2Very high6 Ų649.5 Ų49.53%0.03126%0.263CS..PPolyproline II helixtrans-66.5147.3173.2-59.2-178.3000110.7A177 P192 L215 P217 V242 I254 I277A177-L180 HydrophobicContact CB-CD1 4.27Å; A177-L180 HydrophobicContact CB-CD2 4Å; A177-L180 HydrophobicContact CB-CG 4.22Å; L180-P192 HydrophobicContact CD1-CB 3.63Å; L180-P192 HydrophobicContact CD1-CG 4.11Å; L180-L215 HydrophobicContact CB-CB 4.5Å; L180-L215 VanDerWaalsContact CB-O 3.3Å; L180-L215 WeakPolarHBondContact CB-O 3.27Å; L180-L215 WeakPolarHBondContact CG-O 3.38Å; L180-L215 PolarHBondContact N-O 2.9Å; L180-L215 WeakPolarHBondContact O-CB 3.44Å; L180-L215 WeakPolarHBondContact O-CD2 3.32Å; L180-P217 HydrophobicContact CD1-CG 3.69Å; L180-V242 HydrophobicContact CD1-CG1 4.32Å; L180-V242 HydrophobicContact CD2-CG1 4.21Å; L180-I254 HydrophobicContact CD1-CD1 4.28Å; L180-I254 HydrophobicContact CD2-CG2 4.3Å; L180-I277 HydrophobicContact CD2-CD1 3.37Å
181P93.2Very high92.2Very high33 Ų3350.8 Ų50.821%0.21427%0.27CS..PPolyproline II helixtrans-70.1149.5170.230.7-37.3000111.5L154 M183 S190 I254L154-P181 HydrophobicContact CD2-CG 3.95Å; P181-M183 HydrophobicContact CB-CE 3.85Å; P181-M183 HydrophobicContact CG-CE 3.46Å; P181-M183 VanDerWaalsContact CG-CE 3.46Å; P181-S190 PolarHBondContact O-OG 3Å; P181-I254 HydrophobicContact CG-CG2 3.72Å
182A92.5Very high92.3Very high38 Ų3849.8 Ų49.831%0.31426%0.264SS..PPolyproline II helixtrans-71130.4167.700000110.1M188 L215A182-M188 VanDerWaalsContact CB-C 3.45Å; A182-M188 WeakPolarHBondContact CB-O 3.42Å; A182-L215 HydrophobicContact CB-CD2 4.3Å
183M87.5Confident92.4Very high63 Ų6350.4 Ų50.431%0.3127%0.266SS..  trans-107.2-26177-67.6-72.613400111.9P181 T189 S190 D252 I254P181-M183 HydrophobicContact CB-CE 3.85Å; P181-M183 HydrophobicContact CG-CE 3.46Å; P181-M183 VanDerWaalsContact CG-CE 3.46Å; M183-T189 PolarHBondContact N-O 3.26Å; M183-S190 PolarHBondContact N-OG 2.85Å; M183-D252 HydrophobicContact CB-CB 4.34Å; M183-D252 HydrophobicContact CG-CB 4.22Å; M183-D252 HydrophobicContact SD-CB 4.03Å; M183-I254 HydrophobicContact CE-CG1 4.23Å; M183-I254 HydrophobicContact CG-CD1 4.31Å; M183-I254 HydrophobicContact CG-CG1 3.77Å; M183-I254 HydrophobicContact SD-CG1 4.34Å
184D82.6Confident92.4Very high65 Ų6550.1 Ų50.135%0.34827%0.265SS..BIsolated β-bridgetrans-91.9105172.417214.7000110.2Q186 S187 M188 T189D184-Q186 PolarHBondContact O-N 2.91Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.4Å; D184-Q186 PolarHBondContact OD1-N 3.18Å; D184-S187 PolarHBondContact O-N 2.88Å; D184-S187 PolarHBondContact OD1-N 2.93Å; D184-S187 WeakPolarHBondContact OD2-CB 3.3Å; D184-S187 PolarHBondContact OD2-N 2.86Å; D184-S187 PolarHBondContact OD2-OG 2.8Å; D184-M188 WeakPolarHBondContact O-CA 3.16Å; D184-M188 PolarHBondContact O-N 2.82Å; D184-T189 PolarHBondContact N-O 3.35Å
185E78.7Confident92.2Very high178 Ų17852.9 Ų52.983%0.83228%0.277SS*.THydrogen-bonded Turntrans-57.3-27.9177.4-62-177.1170.400113.3
186Q81.3Confident92Very high187 Ų18749.9 Ų49.987%0.87426%0.264SS*.THydrogen-bonded Turntrans-81.7-36.3-175.5-56.6178.81200112.1D184D184-Q186 PolarHBondContact O-N 2.91Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.4Å; D184-Q186 PolarHBondContact OD1-N 3.18Å
187S81.9Confident91.5Very high34 Ų3449 Ų4924%0.23826%0.26CS..THydrogen-bonded Turntrans-97.3-11.917869.80000114.2D184 T189D184-S187 PolarHBondContact O-N 2.88Å; D184-S187 PolarHBondContact OD1-N 2.93Å; D184-S187 WeakPolarHBondContact OD2-CB 3.3Å; D184-S187 PolarHBondContact OD2-N 2.86Å; D184-S187 PolarHBondContact OD2-OG 2.8Å; S187-T189 PolarHBondContact O-N 3.28Å; S187-T189 PolarHBondContact OG-N 2.74Å; S187-T189 PolarHBondContact OG-OG1 2.92Å
188M88.8Confident91Very high135 Ų13549.3 Ų49.367%0.66526%0.262SS*.THydrogen-bonded Turntrans52.832.8-169.6-65-65-64.800112.5A182 D184A182-M188 VanDerWaalsContact CB-C 3.45Å; A182-M188 WeakPolarHBondContact CB-O 3.42Å; D184-M188 WeakPolarHBondContact O-CA 3.16Å; D184-M188 PolarHBondContact O-N 2.82Å
189T91.6Very high90.1Very high28 Ų2846.9 Ų46.917%0.17225%0.251CS..BIsolated β-bridgetrans-134.1-175.6177.464.50000111.3M183 D184 S187 K213M183-T189 PolarHBondContact N-O 3.26Å; D184-T189 PolarHBondContact N-O 3.35Å; S187-T189 PolarHBondContact O-N 3.28Å; S187-T189 PolarHBondContact OG-N 2.74Å; S187-T189 PolarHBondContact OG-OG1 2.92Å; T189-K213 HydrophobicContact CG2-CB 4.37Å; T189-K213 WeakPolarHBondContact OG1-CA 3.47Å
190S93.6Very high88.6Confident1 Ų149.3 Ų49.31%0.00726%0.259CS..  trans-132.2160.9171.1-71.70000109.3P181 M183 P192 K213 T214P181-S190 PolarHBondContact O-OG 3Å; M183-S190 PolarHBondContact N-OG 2.85Å; S190-P192 WeakPolarHBondContact O-CD 3.44Å; S190-K213 CarbonylContact O-C 3.57Å; S190-K213 VanDerWaalsContact O-CA 3.3Å; S190-K213 WeakPolarHBondContact O-CA 3.41Å; S190-K213 PolarHBondContact O-N 3.48Å; S190-K213 VanDerWaalsContact O-N 3.15Å; S190-T214 PolarHBondContact O-N 3.38Å
191D96.1Very high87Confident27 Ų2754.6 Ų54.614%0.14428%0.284CS..  trans-108.868171-76.4-17.7000109.5V210 L211 R212 K213 S244 F245D191-V210 HydrophobicContact CB-CG1 4.08Å; D191-L211 CarbonylContact C-O 3.56Å; D191-L211 WeakPolarHBondContact CA-O 3.45Å; D191-R212 WeakPolarHBondContact OD1-CA 3.47Å; D191-R212 VanDerWaalsContact OD1-CD 3.31Å; D191-R212 WeakPolarHBondContact OD1-CD 3.5Å; D191-R212 WeakPolarHBondContact OD2-CD 3.3Å; D191-R212 IonicContact OD2-CZ 3.21Å; D191-R212 IonicContact OD2-NE 3.61Å; D191-R212 IonicContact OD2-NH1 3.47Å; D191-R212 PolarHBondContact OD2-NH1 2.78Å; D191-K213 PolarHBondContact OD1-N 2.76Å; D191-S244 PolarHBondContact N-OG 2.8Å; D191-F245 HydrophobicContact CB-CB 4.07Å; D191-F245 PolarHBondContact O-N 3.46Å
192P97.2Very high85.5Confident0 Ų058.1 Ų58.10%030%0.296CS..EExtended strand (participates in β ladder)trans-70.6143.7-164.229.4-39.5000114.6L180 S190 L211 T214 P217 F219 L243L180-P192 HydrophobicContact CD1-CB 3.63Å; L180-P192 HydrophobicContact CD1-CG 4.11Å; S190-P192 WeakPolarHBondContact O-CD 3.44Å; P192-L211 VanDerWaalsContact CD-O 3.28Å; P192-L211 WeakPolarHBondContact CD-O 3.24Å; P192-L211 PolarHBondContact O-N 3.27Å; P192-T214 VanDerWaalsContact CD-O 3.25Å; P192-T214 WeakPolarHBondContact CD-O 3.46Å; P192-T214 HydrophobicContact CG-CG2 3.77Å; P192-T214 WeakPolarHBondContact CG-O 3.49Å; P192-P217 HydrophobicContact CB-CB 4.34Å; P192-P217 HydrophobicContact CB-CG 3.95Å; P192-P217 HydrophobicContact CG-CB 3.6Å; P192-P217 HydrophobicContact CG-CG 3.58Å; P192-F219 HydrophobicContact CB-CZ 4.44Å; P192-L243 CarbonylContact C-O 3.48Å; P192-L243 VanDerWaalsContact CA-O 3.25Å; P192-L243 WeakPolarHBondContact CA-O 3.49Å
193Y98Very high84.3Confident12 Ų1263.5 Ų63.55%0.04731%0.312CS..EExtended strand (participates in β ladder)trans-150.2160.4164.779.4-83.2000111.6K195 K207 R209 V210 L243 F245 D251Y193-K195 HydrophobicContact CD2-CG 4.46Å; Y193-K195 HydrophobicContact CE2-CD 4.31Å; Y193-K195 VanDerWaalsContact CE2-CE 3.49Å; Y193-K195 HydrophobicContact CE2-CG 3.77Å; Y193-K195 WeakPolarHBondContact OH-CE 3.41Å; Y193-K195 PolarHBondContact OH-NZ 3.13Å; Y193-K207 HydrophobicContact CE2-CD 4.17Å; Y193-R209 WeakPolarHBondContact CB-O 3.44Å; Y193-V210 HydrophobicContact CD1-CG2 3.94Å; Y193-V210 HydrophobicContact CG-CG2 4.04Å; Y193-L243 HydrophobicContact CD1-CB 4.22Å; Y193-L243 HydrophobicContact CE1-CB 3.84Å; Y193-L243 HydrophobicContact CE2-CD1 4.29Å; Y193-L243 PolarHBondContact N-O 3.07Å; Y193-L243 PolarHBondContact O-N 3.29Å; Y193-F245 HydrophobicContact CD1-CB 4.09Å; Y193-F245 HydrophobicContact CE1-CB 4.13Å; Y193-D251 HydrophobicContact CE1-CB 4.43Å; Y193-D251 PolarHBondContact OH-OD2 3.48Å
194I97.7Very high83.9Confident0 Ų063.9 Ų63.90%031%0.313CS..EExtended strand (participates in β ladder)trans-119.3125.4-174.4-59.4-176.7000110.4L157 I174 K207 T208 F219 F240 T241 V242L157-I194 HydrophobicContact CD1-CD1 3.4Å; L157-I194 VanDerWaalsContact CD1-CD1 3.4Å; L157-I194 HydrophobicContact CD2-CD1 4.47Å; I174-I194 HydrophobicContact CD1-CG2 4.15Å; I174-I194 HydrophobicContact CG2-CD1 3.97Å; I194-K207 CarbonylContact O-C 3.55Å; I194-K207 VanDerWaalsContact O-CA 3.28Å; I194-K207 WeakPolarHBondContact O-CA 3.21Å; I194-T208 HydrophobicContact CB-CG2 4.06Å; I194-T208 PolarHBondContact N-OG1 3.09Å; I194-T208 PolarHBondContact O-N 3.08Å; I194-F219 HydrophobicContact CD1-CD2 4.08Å; I194-F219 HydrophobicContact CD1-CE2 3.49Å; I194-F219 VanDerWaalsContact CD1-CE2 3.49Å; I194-F219 HydrophobicContact CD1-CZ 4.04Å; I194-F219 HydrophobicContact CG1-CE2 3.89Å; I194-F219 HydrophobicContact CG1-CZ 3.88Å; I194-F240 HydrophobicContact CG2-CB 3.93Å; I194-F240 HydrophobicContact CG2-CD1 3.87Å; I194-F240 HydrophobicContact CG2-CG 4.4Å; I194-T241 WeakPolarHBondContact CA-O 3.3Å; I194-V242 HydrophobicContact CD1-CG2 4.27Å; I194-V242 HydrophobicContact CG1-CG1 4.31Å; I194-V242 HydrophobicContact CG1-CG2 4.2Å
195K94.8Very high84Confident58 Ų5866.7 Ų66.725%0.25232%0.322SS..EExtended strand (participates in β ladder)trans-90.4117.4166-62.8174.3-175.3155.10107.9Y193 K207 F240 T241 L243 D251Y193-K195 HydrophobicContact CD2-CG 4.46Å; Y193-K195 HydrophobicContact CE2-CD 4.31Å; Y193-K195 VanDerWaalsContact CE2-CE 3.49Å; Y193-K195 HydrophobicContact CE2-CG 3.77Å; Y193-K195 WeakPolarHBondContact OH-CE 3.41Å; Y193-K195 PolarHBondContact OH-NZ 3.13Å; K195-K207 HydrophobicContact CG-CD 4.29Å; K195-K207 HydrophobicContact CG-CG 4.11Å; K195-F240 CarbonylContact O-C 3.52Å; K195-F240 WeakPolarHBondContact O-CA 3.48Å; K195-T241 PolarHBondContact N-O 2.92Å; K195-T241 PolarHBondContact O-N 3.44Å; K195-L243 HydrophobicContact CB-CD1 4.31Å; K195-L243 HydrophobicContact CD-CD1 3.59Å; K195-L243 HydrophobicContact CD-CD2 4.48Å; K195-L243 HydrophobicContact CG-CD1 3.71Å; K195-D251 IonicContact NZ-OD2 3.91Å
196M93.8Very high84.7Confident1 Ų159 Ų591%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-105.9139.1174.2179.6-164.2129.700110.4V172 I174 I198 K205 V206 F225 L238 H239 F240V172-M196 HydrophobicContact CB-CE 4.29Å; V172-M196 HydrophobicContact CB-SD 4.02Å; V172-M196 HydrophobicContact CG1-CE 4.49Å; V172-M196 HydrophobicContact CG1-SD 3.72Å; V172-M196 HydrophobicContact CG2-CE 4Å; V172-M196 HydrophobicContact CG2-SD 4.31Å; I174-M196 HydrophobicContact CD1-CB 4.28Å; M196-I198 HydrophobicContact CE-CD1 4.25Å; M196-I198 HydrophobicContact CE-CG1 3.82Å; M196-K205 WeakPolarHBondContact O-CA 3.36Å; M196-V206 HydrophobicContact CB-CG2 3.79Å; M196-V206 HydrophobicContact CG-CG2 4.35Å; M196-V206 PolarHBondContact N-O 3.03Å; M196-V206 PolarHBondContact O-N 3.18Å; M196-V206 HydrophobicContact SD-CG2 4.15Å; M196-F225 HydrophobicContact CE-CD2 4.39Å; M196-F225 HydrophobicContact CE-CE1 4.32Å; M196-F225 HydrophobicContact CE-CE2 3.36Å; M196-F225 HydrophobicContact CE-CZ 3.32Å; M196-F225 HydrophobicContact SD-CE2 4.48Å; M196-F225 HydrophobicContact SD-CZ 4.42Å; M196-L238 HydrophobicContact CE-CD2 3.72Å; M196-H239 CarbonylContact C-O 3.48Å; M196-H239 WeakPolarHBondContact CA-O 3.48Å; M196-F240 HydrophobicContact CB-CD1 3.79Å; M196-F240 HydrophobicContact CB-CE1 3.93Å; M196-F240 HydrophobicContact CG-CD1 3.76Å; M196-F240 HydrophobicContact CG-CE1 3.49Å; M196-F240 VanDerWaalsContact CG-CE1 3.49Å; M196-F240 HydrophobicContact CG-CZ 4.16Å; M196-F240 HydrophobicContact SD-CD1 4.5Å; M196-F240 HydrophobicContact SD-CE1 3.68Å; M196-F240 HydrophobicContact SD-CZ 4.18Å
197M87.3Confident85.3Confident39 Ų3956.3 Ų56.319%0.19227%0.273CS..EExtended strand (participates in β ladder)trans-134.3145.9174-57.5-174.4-72.800111.3H204 K205 H239M197-H204 WeakPolarHBondContact CA-O 3.44Å; M197-K205 HydrophobicContact CG-CB 4.3Å; M197-K205 HydrophobicContact CG-CD 4.47Å; M197-K205 HydrophobicContact CG-CG 3.94Å; M197-K205 HydrophobicContact SD-CD 4.15Å; M197-K205 HydrophobicContact SD-CG 4.21Å; M197-H239 VanDerWaalsContact CE-ND1 3.26Å; M197-H239 WeakPolarHBondContact CE-ND1 3.45Å; M197-H239 PolarHBondContact N-O 3.03Å; M197-H239 PolarHBondContact O-N 3.42Å
198I86.8Confident86.1Confident5 Ų555.1 Ų55.13%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-96.3125.6169.7-54-176.3000109.3F170 M196 K202 H204 F225 I228 L236 L238F170-I198 HydrophobicContact CD1-CD1 4.47Å; M196-I198 HydrophobicContact CE-CD1 4.25Å; M196-I198 HydrophobicContact CE-CG1 3.82Å; I198-K202 WeakPolarHBondContact O-CA 3.45Å; I198-K202 PolarHBondContact O-N 3.11Å; I198-H204 HydrophobicContact CB-CB 4.18Å; I198-H204 HydrophobicContact CD1-CB 3.99Å; I198-H204 HydrophobicContact CG1-CB 4.06Å; I198-H204 PolarHBondContact N-O 3.21Å; I198-H204 VanDerWaalsContact N-O 3.11Å; I198-F225 HydrophobicContact CD1-CB 4.25Å; I198-F225 HydrophobicContact CD1-CD1 3.69Å; I198-F225 HydrophobicContact CD1-CD2 3.85Å; I198-F225 HydrophobicContact CD1-CE1 4Å; I198-F225 HydrophobicContact CD1-CE2 4.15Å; I198-F225 HydrophobicContact CD1-CG 3.62Å; I198-F225 HydrophobicContact CD1-CZ 4.23Å; I198-I228 HydrophobicContact CD1-CD1 4.01Å; I198-L236 HydrophobicContact CG2-CB 4.26Å; I198-L236 HydrophobicContact CG2-CD1 3.92Å; I198-L236 HydrophobicContact CG2-CD2 4.02Å; I198-L236 HydrophobicContact CG2-CG 4.28Å; I198-L238 HydrophobicContact CG1-CD2 3.94Å
199L77.7Confident86.4Confident33 Ų3355.3 Ų55.317%0.17326%0.257CS..EExtended strand (participates in β ladder)trans-100.5149.6175.2-54.7-174.6000109.9K202 L236 S237 H239 L258L199-K202 HydrophobicContact CD2-CD 4.08Å; L199-K202 HydrophobicContact CD2-CG 3.49Å; L199-K202 VanDerWaalsContact CD2-CG 3.49Å; L199-L236 WeakPolarHBondContact O-CA 3.34Å; L199-L236 VanDerWaalsContact O-CD2 3.29Å; L199-L236 WeakPolarHBondContact O-CD2 3.22Å; L199-S237 WeakPolarHBondContact CB-O 3.15Å; L199-S237 PolarHBondContact N-O 3.21Å; L199-S237 PolarHBondContact O-N 2.97Å; L199-S237 VanDerWaalsContact O-N 3.09Å; L199-H239 HydrophobicContact CD1-CB 4.02Å; L199-H239 HydrophobicContact CG-CB 4.21Å; L199-L258 HydrophobicContact CD1-CD1 3.86Å
200P64Low86.7Confident93 Ų9356.3 Ų56.360%0.60426%0.263SS*.THydrogen-bonded Turncis-84.1-22.47.932.2-35.3000114.8K202P200-K202 VanDerWaalsContact C-N 3.31Å; P200-K202 PolarHBondContact O-N 3.26Å
201E62.2Low86.9Confident117 Ų11757.9 Ų57.955%0.54727%0.271SS..THydrogen-bonded Turntrans-67.2-22.8-164.6-64.6-161.3-169.800115.3K203E201-K203 HydrophobicContact CB-CD 4.38Å; E201-K203 HydrophobicContact CB-CG 4.32Å; E201-K203 PolarHBondContact O-N 3.29Å; E201-K203 WeakPolarHBondContact OE2-CD 3.19Å; E201-K203 WeakPolarHBondContact OE2-CE 3.48Å; E201-K203 IonicContact OE2-NZ 3.79Å; E201-K203 PolarHBondContact OE2-NZ 3.09Å
202K62.6Low86.8Confident107 Ų10763.1 Ų63.147%0.46529%0.289SS..  trans55.79.2177.9-68174-176.1176.20115.6I198 L199 P200 K205I198-K202 WeakPolarHBondContact O-CA 3.45Å; I198-K202 PolarHBondContact O-N 3.11Å; L199-K202 HydrophobicContact CD2-CD 4.08Å; L199-K202 HydrophobicContact CD2-CG 3.49Å; L199-K202 VanDerWaalsContact CD2-CG 3.49Å; P200-K202 VanDerWaalsContact C-N 3.31Å; P200-K202 PolarHBondContact O-N 3.26Å; K202-K205 WeakPolarHBondContact O-CE 3.29Å
203K67.5Low86.7Confident151 Ų15170 Ų7066%0.65732%0.319SS*.  trans-70.6-47.9174.6-64.6173.2-171160.40111.1E201 K205E201-K203 HydrophobicContact CB-CD 4.38Å; E201-K203 HydrophobicContact CB-CG 4.32Å; E201-K203 PolarHBondContact O-N 3.29Å; E201-K203 WeakPolarHBondContact OE2-CD 3.19Å; E201-K203 WeakPolarHBondContact OE2-CE 3.48Å; E201-K203 IonicContact OE2-NZ 3.79Å; E201-K203 PolarHBondContact OE2-NZ 3.09Å; K203-K205 PolarHBondContact O-N 2.9Å
204H77.2Confident86.6Confident70 Ų7071.1 Ų71.132%0.32433%0.327SS..  trans-79103.7179-54.6-66.3000109.7M197 I198 F225M197-H204 WeakPolarHBondContact CA-O 3.44Å; I198-H204 HydrophobicContact CB-CB 4.18Å; I198-H204 HydrophobicContact CD1-CB 3.99Å; I198-H204 HydrophobicContact CG1-CB 4.06Å; I198-H204 PolarHBondContact N-O 3.21Å; I198-H204 VanDerWaalsContact N-O 3.11Å; H204-F225 HydrophobicContact CB-CD1 3.9Å; H204-F225 HydrophobicContact CB-CE1 3.9Å
205K86Confident86.5Confident125 Ų12573.3 Ų73.354%0.54334%0.339SS..EExtended strand (participates in β ladder)trans-124.4131.4172.4-50.6-176.5-168.9156.50108.6M196 M197 K202 K203M196-K205 WeakPolarHBondContact O-CA 3.36Å; M197-K205 HydrophobicContact CG-CB 4.3Å; M197-K205 HydrophobicContact CG-CD 4.47Å; M197-K205 HydrophobicContact CG-CG 3.94Å; M197-K205 HydrophobicContact SD-CD 4.15Å; M197-K205 HydrophobicContact SD-CG 4.21Å; K202-K205 WeakPolarHBondContact O-CE 3.29Å; K203-K205 PolarHBondContact O-N 2.9Å
206V92.3Very high86.6Confident16 Ų1674.9 Ų74.910%0.09735%0.35CS..EExtended strand (participates in β ladder)trans-134.6162.3175.4-61.50000109.2L57 M196 F223 F225L57-V206 HydrophobicContact CD1-CG1 4.16Å; M196-V206 HydrophobicContact CB-CG2 3.79Å; M196-V206 HydrophobicContact CG-CG2 4.35Å; M196-V206 PolarHBondContact N-O 3.03Å; M196-V206 PolarHBondContact O-N 3.18Å; M196-V206 HydrophobicContact SD-CG2 4.15Å; V206-F223 HydrophobicContact CB-CD1 3.58Å; V206-F223 HydrophobicContact CB-CE1 3.74Å; V206-F223 HydrophobicContact CB-CG 4.14Å; V206-F223 HydrophobicContact CB-CZ 4.42Å; V206-F223 HydrophobicContact CG1-CD1 3.85Å; V206-F223 HydrophobicContact CG1-CE1 4.42Å; V206-F223 HydrophobicContact CG1-CG 4.42Å; V206-F223 HydrophobicContact CG2-CB 4.17Å; V206-F223 HydrophobicContact CG2-CD1 3.57Å; V206-F223 HydrophobicContact CG2-CD2 3.91Å; V206-F223 HydrophobicContact CG2-CE1 3.89Å; V206-F223 HydrophobicContact CG2-CE2 4.21Å; V206-F223 HydrophobicContact CG2-CG 3.59Å; V206-F223 HydrophobicContact CG2-CZ 4.2Å; V206-F225 HydrophobicContact CG1-CE1 4.03Å; V206-F225 HydrophobicContact CG1-CZ 4.07Å; V206-F225 HydrophobicContact CG2-CZ 4.11Å
207K94.8Very high86.8Confident131 Ų13174.9 Ų74.957%0.5735%0.35SS*.EExtended strand (participates in β ladder)trans-134.9143.7177-56.1-175-179.3175.20108.7Y193 I194 K195Y193-K207 HydrophobicContact CE2-CD 4.17Å; I194-K207 CarbonylContact O-C 3.55Å; I194-K207 VanDerWaalsContact O-CA 3.28Å; I194-K207 WeakPolarHBondContact O-CA 3.21Å; K195-K207 HydrophobicContact CG-CD 4.29Å; K195-K207 HydrophobicContact CG-CG 4.11Å
208T97.8Very high87.3Confident9 Ų977 Ų776%0.05537%0.365CS..PPolyproline II helixtrans-72.3168.4165.2660000110.8I174 I194 F219 E221 F223I174-T208 HydrophobicContact CB-CG2 4.42Å; I174-T208 HydrophobicContact CD1-CG2 3.95Å; I174-T208 HydrophobicContact CG2-CG2 4.23Å; I194-T208 HydrophobicContact CB-CG2 4.06Å; I194-T208 PolarHBondContact N-OG1 3.09Å; I194-T208 PolarHBondContact O-N 3.08Å; T208-F219 HydrophobicContact CG2-CB 4.28Å; T208-F219 HydrophobicContact CG2-CD1 3.97Å; T208-F219 HydrophobicContact CG2-CG 4.07Å; T208-F219 WeakPolarHBondContact OG1-CD1 3.47Å; T208-F219 WeakPolarHBondContact OG1-CE1 3.23Å; T208-E221 VanDerWaalsContact CA-OE2 3.25Å; T208-E221 WeakPolarHBondContact CA-OE2 3.37Å; T208-E221 WeakPolarHBondContact CB-OE1 3.44Å; T208-E221 HydrophobicContact CG2-CB 4.49Å; T208-F223 HydrophobicContact CG2-CE2 4.25Å; T208-F223 HydrophobicContact CG2-CZ 4.27Å
209R96.6Very high87.8Confident138 Ų13876.8 Ų76.852%0.52136%0.364SS..PPolyproline II helixtrans-62.2156.5160.873.3-147.2161.6131.1-3.9111.1Y193 L211 V218 F219 E221Y193-R209 WeakPolarHBondContact CB-O 3.44Å; R209-L211 HydrophobicContact CG-CD2 3.95Å; R209-L211 HydrophobicContact CG-CG 4.4Å; R209-V218 PolarHBondContact NH2-O 3.05Å; R209-F219 PolarHBondContact NH2-O 3.49Å; R209-E221 WeakPolarHBondContact CD-OE1 3.44Å; R209-E221 WeakPolarHBondContact CG-OE1 3.17Å; R209-E221 PolarHBondContact N-OE1 2.98Å; R209-E221 PolarHBondContact N-OE2 2.88Å; R209-E221 IonicContact NE-OE1 3.66Å; R209-E221 PolarHBondContact NE-OE1 2.79Å
210V97.3Very high88.8Confident49 Ų4979.7 Ų79.730%0.29738%0.379SS..PPolyproline II helixtrans-80121.7168-179.80000108.5D191 Y193 F245D191-V210 HydrophobicContact CB-CG1 4.08Å; Y193-V210 HydrophobicContact CD1-CG2 3.94Å; Y193-V210 HydrophobicContact CG-CG2 4.04Å; V210-F245 HydrophobicContact CG1-CB 3.68Å; V210-F245 HydrophobicContact CG1-CG 4.12Å; V210-F245 HydrophobicContact CG2-CB 4.02Å; V210-F245 HydrophobicContact CG2-CD2 4.12Å; V210-F245 HydrophobicContact CG2-CG 4.17Å
211L96.8Very high90.4Very high34 Ų3476.3 Ų76.318%0.17836%0.356CS..PPolyproline II helixtrans-95139.8167-61.9-179.5000108.1D191 P192 R209 T214 P217 V218 F219D191-L211 CarbonylContact C-O 3.56Å; D191-L211 WeakPolarHBondContact CA-O 3.45Å; P192-L211 VanDerWaalsContact CD-O 3.28Å; P192-L211 WeakPolarHBondContact CD-O 3.24Å; P192-L211 PolarHBondContact O-N 3.27Å; R209-L211 HydrophobicContact CG-CD2 3.95Å; R209-L211 HydrophobicContact CG-CG 4.4Å; L211-T214 HydrophobicContact CB-CG2 3.92Å; L211-P217 HydrophobicContact CB-CB 4.38Å; L211-P217 HydrophobicContact CD1-CB 3.7Å; L211-V218 WeakPolarHBondContact CD1-O 3.41Å; L211-F219 HydrophobicContact CD1-CD1 3.93Å; L211-F219 HydrophobicContact CD1-CE1 4.11Å; L211-F219 HydrophobicContact CG-CD1 4.27Å; L211-F219 HydrophobicContact CG-CE1 4.26Å
212R95.1Very high92Very high137 Ų13772.5 Ų72.552%0.51734%0.34SS..PPolyproline II helixtrans-99.6140.9-173-65.6-67.3-177.7162.8-9.1111.4D191 T214 F245D191-R212 WeakPolarHBondContact OD1-CA 3.47Å; D191-R212 VanDerWaalsContact OD1-CD 3.31Å; D191-R212 WeakPolarHBondContact OD1-CD 3.5Å; D191-R212 WeakPolarHBondContact OD2-CD 3.3Å; D191-R212 IonicContact OD2-CZ 3.21Å; D191-R212 IonicContact OD2-NE 3.61Å; D191-R212 IonicContact OD2-NH1 3.47Å; D191-R212 PolarHBondContact OD2-NH1 2.78Å; R212-T214 PolarHBondContact O-N 3.18Å; R212-F245 VanDerWaalsContact NH1-CD1 3.3Å
213K94.3Very high93.6Very high146 Ų14667.6 Ų67.664%0.63532%0.319SS*.SBendtrans4954.3171.6-56.6-167.9174.9-163.60113.7T189 S190 D191T189-K213 HydrophobicContact CG2-CB 4.37Å; T189-K213 WeakPolarHBondContact OG1-CA 3.47Å; S190-K213 CarbonylContact O-C 3.57Å; S190-K213 VanDerWaalsContact O-CA 3.3Å; S190-K213 WeakPolarHBondContact O-CA 3.41Å; S190-K213 PolarHBondContact O-N 3.48Å; S190-K213 VanDerWaalsContact O-N 3.15Å; D191-K213 PolarHBondContact OD1-N 2.76Å
214T96.4Very high94.9Very high35 Ų3561 Ų6122%0.21529%0.291CS..  trans-143.9143179.1-177.80000112.1S190 P192 L211 R212 D216 P217S190-T214 PolarHBondContact O-N 3.38Å; P192-T214 VanDerWaalsContact CD-O 3.25Å; P192-T214 WeakPolarHBondContact CD-O 3.46Å; P192-T214 HydrophobicContact CG-CG2 3.77Å; P192-T214 WeakPolarHBondContact CG-O 3.49Å; L211-T214 HydrophobicContact CB-CG2 3.92Å; R212-T214 PolarHBondContact O-N 3.18Å; T214-D216 PolarHBondContact OG1-N 3.1Å; T214-D216 VanDerWaalsContact OG1-N 3.12Å; T214-D216 PolarHBondContact OG1-O 2.94Å; T214-P217 HydrophobicContact CG2-CB 3.94Å
215L96.3Very high95.7Very high46 Ų4658 Ų5824%0.24128%0.277CS..SBendtrans-102.5-10.1172-56.9-174.9000112.1G179 L180 A182 P217G179-L215 PolarHBondContact N-O 2.85Å; L180-L215 HydrophobicContact CB-CB 4.5Å; L180-L215 VanDerWaalsContact CB-O 3.3Å; L180-L215 WeakPolarHBondContact CB-O 3.27Å; L180-L215 WeakPolarHBondContact CG-O 3.38Å; L180-L215 PolarHBondContact N-O 2.9Å; L180-L215 WeakPolarHBondContact O-CB 3.44Å; L180-L215 WeakPolarHBondContact O-CD2 3.32Å; A182-L215 HydrophobicContact CB-CD2 4.3Å; L215-P217 WeakPolarHBondContact O-CD 3.44Å
216D97Very high96Very high91 Ų9156.4 Ų56.449%0.48727%0.269SS..SBendtrans-125.766179-57-74.4000109.9A177 Q178 G179 T214 V218A177-D216 CarbonylContact O-C 3.12Å; A177-D216 VanDerWaalsContact O-C 3.31Å; A177-D216 VanDerWaalsContact O-CA 3.25Å; A177-D216 WeakPolarHBondContact O-CA 3.21Å; Q178-D216 WeakPolarHBondContact CA-OD1 3.36Å; G179-D216 PolarHBondContact N-OD1 2.9Å; T214-D216 PolarHBondContact OG1-N 3.1Å; T214-D216 VanDerWaalsContact OG1-N 3.12Å; T214-D216 PolarHBondContact OG1-O 2.94Å; D216-V218 PolarHBondContact O-N 2.82Å
217P97.4Very high95.7Very high1 Ų158.7 Ų58.71%0.00630%0.295CS..  trans-71.3123.3-175.727.1-36.1000113.5E176 A177 L180 P192 L211 T214 L215 F219E176-P217 CarbonylContact C-O 3.52Å; E176-P217 WeakPolarHBondContact CA-O 3.35Å; E176-P217 VanDerWaalsContact CB-O 3.31Å; E176-P217 WeakPolarHBondContact CB-O 3.46Å; A177-P217 HydrophobicContact CB-CG 3.97Å; A177-P217 PolarHBondContact N-O 2.9Å; A177-P217 VanDerWaalsContact O-CD 3.27Å; A177-P217 WeakPolarHBondContact O-CD 3.38Å; L180-P217 HydrophobicContact CD1-CG 3.69Å; P192-P217 HydrophobicContact CB-CB 4.34Å; P192-P217 HydrophobicContact CB-CG 3.95Å; P192-P217 HydrophobicContact CG-CB 3.6Å; P192-P217 HydrophobicContact CG-CG 3.58Å; L211-P217 HydrophobicContact CB-CB 4.38Å; L211-P217 HydrophobicContact CD1-CB 3.7Å; T214-P217 HydrophobicContact CG2-CB 3.94Å; L215-P217 WeakPolarHBondContact O-CD 3.44Å; P217-F219 HydrophobicContact CB-CD2 4.41Å; P217-F219 HydrophobicContact CB-CE1 4.04Å; P217-F219 HydrophobicContact CB-CE2 3.75Å; P217-F219 HydrophobicContact CB-CZ 3.54Å; P217-F219 HydrophobicContact CG-CE2 3.62Å; P217-F219 HydrophobicContact CG-CZ 3.62Å
218V98.1Very high95.5Very high83 Ų8353.2 Ų53.250%0.50327%0.272SS..EExtended strand (participates in β ladder)trans-94.897.3168.9-174.40000110.3K175 E176 R209 L211 D216K175-V218 CarbonylContact O-C 3.56Å; E176-V218 HydrophobicContact CB-CB 4.45Å; E176-V218 HydrophobicContact CB-CG2 4.19Å; R209-V218 PolarHBondContact NH2-O 3.05Å; L211-V218 WeakPolarHBondContact CD1-O 3.41Å; D216-V218 PolarHBondContact O-N 2.82Å
219F97.5Very high95.1Very high0 Ų055.4 Ų55.40%029%0.286CS..EExtended strand (participates in β ladder)trans-74.3-52.7179.1-58.7-73.1000112I174 K175 P192 I194 T208 R209 L211 P217 E221I174-F219 HydrophobicContact CG2-CB 4.35Å; I174-F219 HydrophobicContact CG2-CD2 3.97Å; I174-F219 HydrophobicContact CG2-CG 4.38Å; K175-F219 WeakPolarHBondContact O-CA 3.48Å; K175-F219 PolarHBondContact O-N 3Å; P192-F219 HydrophobicContact CB-CZ 4.44Å; I194-F219 HydrophobicContact CD1-CD2 4.08Å; I194-F219 HydrophobicContact CD1-CE2 3.49Å; I194-F219 VanDerWaalsContact CD1-CE2 3.49Å; I194-F219 HydrophobicContact CD1-CZ 4.04Å; I194-F219 HydrophobicContact CG1-CE2 3.89Å; I194-F219 HydrophobicContact CG1-CZ 3.88Å; T208-F219 HydrophobicContact CG2-CB 4.28Å; T208-F219 HydrophobicContact CG2-CD1 3.97Å; T208-F219 HydrophobicContact CG2-CG 4.07Å; T208-F219 WeakPolarHBondContact OG1-CD1 3.47Å; T208-F219 WeakPolarHBondContact OG1-CE1 3.23Å; R209-F219 PolarHBondContact NH2-O 3.49Å; L211-F219 HydrophobicContact CD1-CD1 3.93Å; L211-F219 HydrophobicContact CD1-CE1 4.11Å; L211-F219 HydrophobicContact CG-CD1 4.27Å; L211-F219 HydrophobicContact CG-CE1 4.26Å; P217-F219 HydrophobicContact CB-CD2 4.41Å; P217-F219 HydrophobicContact CB-CE1 4.04Å; P217-F219 HydrophobicContact CB-CE2 3.75Å; P217-F219 HydrophobicContact CB-CZ 3.54Å; P217-F219 HydrophobicContact CG-CE2 3.62Å; P217-F219 HydrophobicContact CG-CZ 3.62Å; F219-E221 VanDerWaalsContact C-N 3.29Å; F219-E221 PolarHBondContact O-N 2.83Å
220D96.9Very high94.9Very high94 Ų9451.3 Ų51.350%0.50327%0.271SS..EExtended strand (participates in β ladder)trans40.350.2-165.9-164.630.8000114.2N173 I174 K175N173-D220 PolarHBondContact ND2-OD1 2.85Å; I174-D220 WeakPolarHBondContact O-CA 3.16Å; I174-D220 PolarHBondContact O-N 3.42Å; K175-D220 PolarHBondContact O-N 3.19Å
221E97.7Very high94.6Very high23 Ų2353.3 Ų53.311%0.10729%0.285CS..EExtended strand (participates in β ladder)trans-105.2134.5-178.7-76.2-179.8-121.800111.6N173 I174 T208 R209 F219 F223N173-E221 CarbonylContact C-O 3.53Å; N173-E221 WeakPolarHBondContact CA-O 3.08Å; I174-E221 PolarHBondContact N-O 3.33Å; I174-E221 PolarHBondContact O-N 2.88Å; T208-E221 VanDerWaalsContact CA-OE2 3.25Å; T208-E221 WeakPolarHBondContact CA-OE2 3.37Å; T208-E221 WeakPolarHBondContact CB-OE1 3.44Å; T208-E221 HydrophobicContact CG2-CB 4.49Å; R209-E221 WeakPolarHBondContact CD-OE1 3.44Å; R209-E221 WeakPolarHBondContact CG-OE1 3.17Å; R209-E221 PolarHBondContact N-OE1 2.98Å; R209-E221 PolarHBondContact N-OE2 2.88Å; R209-E221 IonicContact NE-OE1 3.66Å; R209-E221 PolarHBondContact NE-OE1 2.79Å; F219-E221 VanDerWaalsContact C-N 3.29Å; F219-E221 PolarHBondContact O-N 2.83Å; E221-F223 HydrophobicContact CB-CE2 3.97Å; E221-F223 HydrophobicContact CB-CZ 3.97Å
222T97Very high94.2Very high36 Ų3656.1 Ų56.122%0.22130%0.297CS..EExtended strand (participates in β ladder)trans-116.7120.3-174.5-54.50000111.2V171 N173V171-T222 HydrophobicContact CG1-CG2 3.49Å; V171-T222 VanDerWaalsContact CG1-CG2 3.49Å; N173-T222 HydrophobicContact CB-CG2 4.33Å; N173-T222 PolarHBondContact ND2-OG1 2.98Å; N173-T222 VanDerWaalsContact ND2-OG1 3.12Å
223F96.1Very high93.9Very high5 Ų549.6 Ų49.62%0.02227%0.273CS..EExtended strand (participates in β ladder)trans-109.6126.7179.4-55.4-75.9000110V171 V172 I174 V206 T208 E221 F225V171-F223 WeakPolarHBondContact CA-O 3.42Å; V172-F223 PolarHBondContact N-O 3.19Å; V172-F223 PolarHBondContact O-N 3.11Å; I174-F223 HydrophobicContact CD1-CD2 4.2Å; I174-F223 HydrophobicContact CD1-CE2 3.76Å; I174-F223 HydrophobicContact CG1-CD2 4.29Å; I174-F223 HydrophobicContact CG1-CE2 4.09Å; V206-F223 HydrophobicContact CB-CD1 3.58Å; V206-F223 HydrophobicContact CB-CE1 3.74Å; V206-F223 HydrophobicContact CB-CG 4.14Å; V206-F223 HydrophobicContact CB-CZ 4.42Å; V206-F223 HydrophobicContact CG1-CD1 3.85Å; V206-F223 HydrophobicContact CG1-CE1 4.42Å; V206-F223 HydrophobicContact CG1-CG 4.42Å; V206-F223 HydrophobicContact CG2-CB 4.17Å; V206-F223 HydrophobicContact CG2-CD1 3.57Å; V206-F223 HydrophobicContact CG2-CD2 3.91Å; V206-F223 HydrophobicContact CG2-CE1 3.89Å; V206-F223 HydrophobicContact CG2-CE2 4.21Å; V206-F223 HydrophobicContact CG2-CG 3.59Å; V206-F223 HydrophobicContact CG2-CZ 4.2Å; T208-F223 HydrophobicContact CG2-CE2 4.25Å; T208-F223 HydrophobicContact CG2-CZ 4.27Å; E221-F223 HydrophobicContact CB-CE2 3.97Å; E221-F223 HydrophobicContact CB-CZ 3.97Å; F223-F225 HydrophobicContact CB-CE2 3.62Å; F223-F225 HydrophobicContact CB-CZ 3.64Å
224T95.4Very high93.6Very high13 Ų1346 Ų468%0.0826%0.258CS..EExtended strand (participates in β ladder)trans-116.5122-177.1-56.60000110.6A169 V171 Y226A169-T224 HydrophobicContact CB-CG2 3.79Å; V171-T224 HydrophobicContact CG2-CG2 4.12Å; T224-Y226 HydrophobicContact CG2-CD2 4.15Å; T224-Y226 HydrophobicContact CG2-CE1 4Å; T224-Y226 HydrophobicContact CG2-CE2 3.6Å
225F93.3Very high92.9Very high5 Ų551.3 Ų51.32%0.02228%0.28CS..EExtended strand (participates in β ladder)trans-109.196.8-176.7-55.3-82.1000109.7A169 F170 V172 M196 I198 H204 V206 F223 I228A169-F225 WeakPolarHBondContact CA-O 3.43Å; F170-F225 HydrophobicContact CB-CB 4.45Å; F170-F225 HydrophobicContact CD1-CD2 4.36Å; F170-F225 PolarHBondContact N-O 2.84Å; F170-F225 PolarHBondContact O-N 2.76Å; V172-F225 HydrophobicContact CB-CE2 4.4Å; V172-F225 HydrophobicContact CG2-CD2 4.49Å; V172-F225 HydrophobicContact CG2-CE2 4.14Å; M196-F225 HydrophobicContact CE-CD2 4.39Å; M196-F225 HydrophobicContact CE-CE1 4.32Å; M196-F225 HydrophobicContact CE-CE2 3.36Å; M196-F225 HydrophobicContact CE-CZ 3.32Å; M196-F225 HydrophobicContact SD-CE2 4.48Å; M196-F225 HydrophobicContact SD-CZ 4.42Å; I198-F225 HydrophobicContact CD1-CB 4.25Å; I198-F225 HydrophobicContact CD1-CD1 3.69Å; I198-F225 HydrophobicContact CD1-CD2 3.85Å; I198-F225 HydrophobicContact CD1-CE1 4Å; I198-F225 HydrophobicContact CD1-CE2 4.15Å; I198-F225 HydrophobicContact CD1-CG 3.62Å; I198-F225 HydrophobicContact CD1-CZ 4.23Å; H204-F225 HydrophobicContact CB-CD1 3.9Å; H204-F225 HydrophobicContact CB-CE1 3.9Å; V206-F225 HydrophobicContact CG1-CE1 4.03Å; V206-F225 HydrophobicContact CG1-CZ 4.07Å; V206-F225 HydrophobicContact CG2-CZ 4.11Å; F223-F225 HydrophobicContact CB-CE2 3.62Å; F223-F225 HydrophobicContact CB-CZ 3.64Å; F225-I228 HydrophobicContact CB-CD1 3.7Å; F225-I228 HydrophobicContact CB-CG1 4.44Å
226Y91.9Very high92.5Very high93 Ų9350.1 Ų50.137%0.36527%0.274SS..EExtended strand (participates in β ladder)trans-75.3146.3178.4-62.8-84.3000111.8V56 K167 A169 T224V56-Y226 HydrophobicContact CG1-CE2 4.1Å; K167-Y226 HydrophobicContact CB-CE1 4.28Å; A169-Y226 HydrophobicContact CB-CD1 3.62Å; A169-Y226 HydrophobicContact CB-CE1 3.85Å; A169-Y226 HydrophobicContact CB-CG 4.28Å; T224-Y226 HydrophobicContact CG2-CD2 4.15Å; T224-Y226 HydrophobicContact CG2-CE1 4Å; T224-Y226 HydrophobicContact CG2-CE2 3.6Å
227G86.9Confident92.1Very high63 Ų6347.1 Ų47.165%0.64926%0.26SS*.THydrogen-bonded Turntrans84.39.1171.500000115K168 P229K168-G227 PolarHBondContact O-N 3.2Å; G227-P229 WeakPolarHBondContact O-CD 3.45Å
228I88.9Confident91.8Very high16 Ų1647.1 Ų47.18%0.08226%0.26CS..  trans-89.2114.5168.2-56.5-179.2000107.6Y163 I198 F225 I233 L236Y163-I228 VanDerWaalsContact CE2-O 3.31Å; Y163-I228 WeakPolarHBondContact CE2-O 3.45Å; Y163-I228 PolarHBondContact OH-O 2.94Å; I198-I228 HydrophobicContact CD1-CD1 4.01Å; F225-I228 HydrophobicContact CB-CD1 3.7Å; F225-I228 HydrophobicContact CB-CG1 4.44Å; I228-I233 HydrophobicContact CB-CD1 4.48Å; I228-I233 HydrophobicContact CG2-CD1 3.59Å; I228-I233 HydrophobicContact CG2-CG1 4.38Å; I228-L236 HydrophobicContact CD1-CD1 4.25Å; I228-L236 HydrophobicContact CG2-CD1 3.8Å
229P90.9Very high91.4Very high55 Ų5544.2 Ų44.236%0.35724%0.241SC..  trans-67143.5174.8-20.734.5000112.2G227 P231 H232G227-P229 WeakPolarHBondContact O-CD 3.45Å; P229-P231 VanDerWaalsContact C-CD 3.48Å; P229-H232 WeakPolarHBondContact CD-ND1 3.49Å; P229-H232 PolarHBondContact O-N 2.96Å; P229-H232 VanDerWaalsContact O-N 3.08Å
230Y92.7Very high91.3Very high52 Ų5244.2 Ų44.220%0.20424%0.241CC..Hα-helixtrans-50.6-44.9179-174.3-101000114.4Y163 F165 H232 I233 L266 S267Y163-Y230 AromaticContact CD1-CD2 3.56Å; Y163-Y230 HydrophobicContact CD1-CD2 3.56Å; Y163-Y230 HydrophobicContact CD1-CE2 4.38Å; Y163-Y230 HydrophobicContact CD1-CG 4.33Å; Y163-Y230 HydrophobicContact CD2-CD2 4.12Å; Y163-Y230 AromaticContact CE1-CD2 3.99Å; Y163-Y230 HydrophobicContact CE1-CD2 3.99Å; Y163-Y230 HydrophobicContact CE1-CG 4.34Å; Y163-Y230 AromaticContact CG-CD2 3.63Å; Y163-Y230 HydrophobicContact CG-CD2 3.63Å; Y163-Y230 HydrophobicContact CG-CE2 4.31Å; Y163-Y230 PolarHBondContact OH-N 2.72Å; Y163-Y230 VanDerWaalsContact OH-N 3.13Å; F165-Y230 HydrophobicContact CE1-CD1 4.18Å; F165-Y230 AromaticContact CE1-CD2 3.61Å; F165-Y230 HydrophobicContact CE1-CD2 3.61Å; F165-Y230 AromaticContact CE1-CE2 3.98Å; F165-Y230 HydrophobicContact CE1-CE2 3.98Å; F165-Y230 AromaticContact CE1-CG 3.71Å; F165-Y230 HydrophobicContact CE1-CG 3.71Å; F165-Y230 HydrophobicContact CE2-CE2 4.47Å; F165-Y230 AromaticContact CZ-CD2 3.59Å; F165-Y230 HydrophobicContact CZ-CD2 3.59Å; F165-Y230 HydrophobicContact CZ-CE1 4.48Å; F165-Y230 AromaticContact CZ-CE2 3.5Å; F165-Y230 HydrophobicContact CZ-CE2 3.5Å; F165-Y230 HydrophobicContact CZ-CG 4.12Å; F165-Y230 AromaticContact CZ-CZ 3.99Å; Y230-H232 VanDerWaalsContact C-N 3.29Å; Y230-H232 PolarHBondContact O-N 2.87Å; Y230-I233 VanDerWaalsContact O-CB 3.25Å; Y230-I233 WeakPolarHBondContact O-CB 3.45Å; Y230-I233 WeakPolarHBondContact O-CG1 3.32Å; Y230-I233 PolarHBondContact O-N 2.97Å; Y230-I233 VanDerWaalsContact O-N 3.07Å; Y230-L266 HydrophobicContact CE2-CB 4.05Å; Y230-L266 PolarHBondContact OH-N 2.8Å; Y230-S267 PolarHBondContact OH-N 3.29Å
231P90.2Very high91.1Very high91 Ų9140.1 Ų40.159%0.59122%0.22SC*.Hα-helixtrans-60.4-37179.6-24.736.1000113.3P229 I233 Q234P229-P231 VanDerWaalsContact C-CD 3.48Å; P231-I233 PolarHBondContact O-N 2.75Å; P231-Q234 PolarHBondContact O-N 2.64Å
232H88.1Confident91.1Very high94 Ų9439 Ų3944%0.43521%0.214SC..Hα-helixtrans-69.5-17.6179.6-59.3164.3000112.7P229 Y230 Q234 E235 L236P229-H232 WeakPolarHBondContact CD-ND1 3.49Å; P229-H232 PolarHBondContact O-N 2.96Å; P229-H232 VanDerWaalsContact O-N 3.08Å; Y230-H232 VanDerWaalsContact C-N 3.29Å; Y230-H232 PolarHBondContact O-N 2.87Å; H232-Q234 PolarHBondContact O-N 2.92Å; H232-E235 WeakPolarHBondContact O-CB 3.25Å; H232-E235 PolarHBondContact O-N 2.78Å; H232-L236 WeakPolarHBondContact O-CG 3.45Å
233I89.3Confident90.9Very high0 Ų037.5 Ų37.50%021%0.205CC..Hα-helixtrans-55.7-37.7177.4-61.8-70000111Y163 F170 I228 Y230 P231 E235 L236 L261 L266Y163-I233 HydrophobicContact CD2-CD1 4.04Å; Y163-I233 HydrophobicContact CD2-CG1 4.03Å; Y163-I233 HydrophobicContact CE2-CD1 4.2Å; Y163-I233 HydrophobicContact CE2-CG1 4.17Å; F170-I233 HydrophobicContact CB-CD1 3.79Å; F170-I233 HydrophobicContact CD1-CD1 4.06Å; F170-I233 HydrophobicContact CD2-CD1 3.98Å; F170-I233 HydrophobicContact CG-CD1 3.69Å; I228-I233 HydrophobicContact CB-CD1 4.48Å; I228-I233 HydrophobicContact CG2-CD1 3.59Å; I228-I233 HydrophobicContact CG2-CG1 4.38Å; Y230-I233 VanDerWaalsContact O-CB 3.25Å; Y230-I233 WeakPolarHBondContact O-CB 3.45Å; Y230-I233 WeakPolarHBondContact O-CG1 3.32Å; Y230-I233 PolarHBondContact O-N 2.97Å; Y230-I233 VanDerWaalsContact O-N 3.07Å; P231-I233 PolarHBondContact O-N 2.75Å; I233-E235 PolarHBondContact O-N 3.02Å; I233-L236 HydrophobicContact CD1-CD1 4.3Å; I233-L236 PolarHBondContact O-N 3Å; I233-L236 VanDerWaalsContact O-N 3.09Å; I233-L261 HydrophobicContact CG2-CB 4.13Å; I233-L261 HydrophobicContact CG2-CD1 3.9Å; I233-L261 VanDerWaalsContact O-CB 3.22Å; I233-L261 WeakPolarHBondContact O-CB 3.15Å; I233-L266 HydrophobicContact CG2-CD1 4.2Å
234Q86.6Confident90.8Very high70 Ų7037.6 Ų37.633%0.32721%0.206SC..THydrogen-bonded Turntrans-64-20.2-179.8-60.7-60.1-40.500113.7P231 H232 L261 S262 I264P231-Q234 PolarHBondContact O-N 2.64Å; H232-Q234 PolarHBondContact O-N 2.92Å; Q234-L261 PolarHBondContact OE1-O 2.84Å; Q234-S262 WeakPolarHBondContact O-CA 3.35Å; Q234-S262 WeakPolarHBondContact O-CB 3.29Å; Q234-S262 PolarHBondContact O-N 3.01Å; Q234-I264 PolarHBondContact NE2-O 3.14Å
235E83.6Confident90.7Very high146 Ų14640 Ų4068%0.68222%0.215SC*.THydrogen-bonded Turntrans-92.4-9.4179.1-58.8175.8-163.700113H232 I233H232-E235 WeakPolarHBondContact O-CB 3.25Å; H232-E235 PolarHBondContact O-N 2.78Å; I233-E235 PolarHBondContact O-N 3.02Å
236L86.4Confident90.3Very high22 Ų2242.2 Ų42.212%0.11523%0.228CC..  trans-91.1163.4-174.7-60.6178000112.5I198 L199 I228 H232 I233 L261I198-L236 HydrophobicContact CG2-CB 4.26Å; I198-L236 HydrophobicContact CG2-CD1 3.92Å; I198-L236 HydrophobicContact CG2-CD2 4.02Å; I198-L236 HydrophobicContact CG2-CG 4.28Å; L199-L236 WeakPolarHBondContact O-CA 3.34Å; L199-L236 VanDerWaalsContact O-CD2 3.29Å; L199-L236 WeakPolarHBondContact O-CD2 3.22Å; I228-L236 HydrophobicContact CD1-CD1 4.25Å; I228-L236 HydrophobicContact CG2-CD1 3.8Å; H232-L236 WeakPolarHBondContact O-CG 3.45Å; I233-L236 HydrophobicContact CD1-CD1 4.3Å; I233-L236 PolarHBondContact O-N 3Å; I233-L236 VanDerWaalsContact O-N 3.09Å; L236-L261 HydrophobicContact CB-CD1 4.09Å; L236-L261 PolarHBondContact O-N 3.01Å
237S88.2Confident90.1Very high28 Ų2847 Ų4720%0.19625%0.245CC..EExtended strand (participates in β ladder)trans-139.9140.5166.9-54.60000110.8L199 I259L199-S237 WeakPolarHBondContact CB-O 3.15Å; L199-S237 PolarHBondContact N-O 3.21Å; L199-S237 PolarHBondContact O-N 2.97Å; L199-S237 VanDerWaalsContact O-N 3.09Å; S237-I259 CarbonylContact C-O 3.56Å; S237-I259 VanDerWaalsContact CA-O 3.32Å; S237-I259 WeakPolarHBondContact CA-O 3.29Å
238L91.5Very high89.8Confident0 Ų052.3 Ų52.30%025%0.251CS..EExtended strand (participates in β ladder)trans-89.8126.7173.3-62.9-177.1000109.9L161 F170 V172 M196 I198 F240 L258 I259 L261L161-L238 HydrophobicContact CD1-CD1 4.46Å; L161-L238 HydrophobicContact CD2-CD1 3.52Å; F170-L238 HydrophobicContact CE1-CD1 4.37Å; F170-L238 HydrophobicContact CE1-CD2 4.01Å; F170-L238 HydrophobicContact CZ-CD1 4.17Å; V172-L238 HydrophobicContact CG1-CD1 4.24Å; V172-L238 HydrophobicContact CG2-CD1 3.92Å; V172-L238 HydrophobicContact CG2-CD2 4.43Å; M196-L238 HydrophobicContact CE-CD2 3.72Å; I198-L238 HydrophobicContact CG1-CD2 3.94Å; L238-F240 HydrophobicContact CB-CD2 4.39Å; L238-F240 HydrophobicContact CB-CE2 3.6Å; L238-F240 HydrophobicContact CB-CZ 4.01Å; L238-F240 HydrophobicContact CD1-CE2 4.17Å; L238-F240 HydrophobicContact CD1-CZ 3.92Å; L238-L258 WeakPolarHBondContact O-CA 3.48Å; L238-I259 HydrophobicContact CB-CB 4.33Å; L238-I259 PolarHBondContact N-O 3.37Å; L238-I259 PolarHBondContact O-N 3.35Å; L238-L261 HydrophobicContact CD1-CD2 4.13Å; L238-L261 HydrophobicContact CG-CD1 4.21Å; L238-L261 HydrophobicContact CG-CD2 4.08Å; L238-L261 HydrophobicContact CG-CG 4.37Å
239H89.8Confident89.2Confident23 Ų2355.1 Ų55.111%0.10627%0.272CS..EExtended strand (participates in β ladder)trans-115115.4172.5-178.4-142.7000109.6M196 M197 L199 E256 L258M196-H239 CarbonylContact C-O 3.48Å; M196-H239 WeakPolarHBondContact CA-O 3.48Å; M197-H239 VanDerWaalsContact CE-ND1 3.26Å; M197-H239 WeakPolarHBondContact CE-ND1 3.45Å; M197-H239 PolarHBondContact N-O 3.03Å; M197-H239 PolarHBondContact O-N 3.42Å; L199-H239 HydrophobicContact CD1-CB 4.02Å; L199-H239 HydrophobicContact CG-CB 4.21Å; H239-E256 IonicContact CD2-OE2 3.72Å; H239-E256 IonicContact CE1-OE2 2.72Å; H239-E256 PolarHBondContact CE1-OE2 2.8Å; H239-E256 IonicContact NE2-OE2 2.7Å; H239-E256 PolarHBondContact NE2-OE2 3.22Å; H239-L258 HydrophobicContact CB-CD1 4.17Å
240F95Very high88.4Confident0 Ų061.5 Ų61.50%029%0.289CS..EExtended strand (participates in β ladder)trans-103.1129.6172.6-54-90.8000108.3L157 L159 V172 I174 I194 K195 M196 L238 E256 V257 I259L157-F240 HydrophobicContact CD2-CB 3.89Å; L157-F240 HydrophobicContact CD2-CD1 4.12Å; L157-F240 HydrophobicContact CD2-CD2 3.99Å; L157-F240 HydrophobicContact CD2-CG 3.73Å; L159-F240 HydrophobicContact CD1-CE2 4.37Å; L159-F240 HydrophobicContact CD1-CZ 4.09Å; V172-F240 HydrophobicContact CG1-CE1 4.31Å; V172-F240 HydrophobicContact CG1-CZ 4.1Å; I174-F240 HydrophobicContact CD1-CD1 3.91Å; I174-F240 HydrophobicContact CD1-CE1 3.69Å; I174-F240 HydrophobicContact CG1-CE1 3.96Å; I194-F240 HydrophobicContact CG2-CB 3.93Å; I194-F240 HydrophobicContact CG2-CD1 3.87Å; I194-F240 HydrophobicContact CG2-CG 4.4Å; K195-F240 CarbonylContact O-C 3.52Å; K195-F240 WeakPolarHBondContact O-CA 3.48Å; M196-F240 HydrophobicContact CB-CD1 3.79Å; M196-F240 HydrophobicContact CB-CE1 3.93Å; M196-F240 HydrophobicContact CG-CD1 3.76Å; M196-F240 HydrophobicContact CG-CE1 3.49Å; M196-F240 VanDerWaalsContact CG-CE1 3.49Å; M196-F240 HydrophobicContact CG-CZ 4.16Å; M196-F240 HydrophobicContact SD-CD1 4.5Å; M196-F240 HydrophobicContact SD-CE1 3.68Å; M196-F240 HydrophobicContact SD-CZ 4.18Å; L238-F240 HydrophobicContact CB-CD2 4.39Å; L238-F240 HydrophobicContact CB-CE2 3.6Å; L238-F240 HydrophobicContact CB-CZ 4.01Å; L238-F240 HydrophobicContact CD1-CE2 4.17Å; L238-F240 HydrophobicContact CD1-CZ 3.92Å; F240-E256 CarbonylContact O-C 3.36Å; F240-E256 WeakPolarHBondContact O-CA 3.28Å; F240-E256 WeakPolarHBondContact O-CB 3.27Å; F240-V257 HydrophobicContact CB-CB 4.26Å; F240-V257 HydrophobicContact CD2-CB 4.26Å; F240-V257 HydrophobicContact CD2-CG1 4.35Å; F240-V257 PolarHBondContact N-O 3.45Å; F240-V257 PolarHBondContact O-N 2.84Å; F240-I259 HydrophobicContact CD2-CD1 4.38Å; F240-I259 HydrophobicContact CE2-CD1 3.78Å; F240-I259 HydrophobicContact CE2-CG1 4.19Å
241T94.2Very high88Confident8 Ų861.2 Ų61.25%0.04929%0.291CS..EExtended strand (participates in β ladder)trans-111.1123.3165.7-53.50000107.3I194 K195 L243 I253 R280I194-T241 WeakPolarHBondContact CA-O 3.3Å; K195-T241 PolarHBondContact N-O 2.92Å; K195-T241 PolarHBondContact O-N 3.44Å; T241-L243 HydrophobicContact CG2-CD1 3.87Å; T241-L243 HydrophobicContact CG2-CG 4.2Å; T241-L243 WeakPolarHBondContact O-CD1 3.29Å; T241-I253 HydrophobicContact CG2-CG2 3.86Å; T241-R280 PolarHBondContact OG1-NH1 2.84Å
242V96.1Very high87.7Confident0 Ų060.2 Ų60.20%028%0.28CS..EExtended strand (participates in β ladder)trans-95.8127.5178.6-170.80000107.6L180 I194 I254 G255 I277L180-V242 HydrophobicContact CD1-CG1 4.32Å; L180-V242 HydrophobicContact CD2-CG1 4.21Å; I194-V242 HydrophobicContact CD1-CG2 4.27Å; I194-V242 HydrophobicContact CG1-CG1 4.31Å; I194-V242 HydrophobicContact CG1-CG2 4.2Å; V242-I254 HydrophobicContact CB-CB 4.38Å; V242-I254 HydrophobicContact CG1-CB 4.25Å; V242-I254 HydrophobicContact CG1-CD1 4.26Å; V242-I254 HydrophobicContact CG1-CG2 4.49Å; V242-I254 PolarHBondContact O-N 2.86Å; V242-G255 PolarHBondContact N-O 3.44Å; V242-G255 PolarHBondContact O-N 2.86Å; V242-I277 HydrophobicContact CG2-CD1 4.06Å; V242-I277 HydrophobicContact CG2-CG1 4.35Å; V242-I277 HydrophobicContact CG2-CG2 4.45Å
243L94.6Very high87.8Confident4 Ų459.6 Ų59.62%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-131.6151.4-178.3-56.696.2000111.4P192 Y193 K195 T241 D251 D252 I253P192-L243 CarbonylContact C-O 3.48Å; P192-L243 VanDerWaalsContact CA-O 3.25Å; P192-L243 WeakPolarHBondContact CA-O 3.49Å; Y193-L243 HydrophobicContact CD1-CB 4.22Å; Y193-L243 HydrophobicContact CE1-CB 3.84Å; Y193-L243 HydrophobicContact CE2-CD1 4.29Å; Y193-L243 PolarHBondContact N-O 3.07Å; Y193-L243 PolarHBondContact O-N 3.29Å; K195-L243 HydrophobicContact CB-CD1 4.31Å; K195-L243 HydrophobicContact CD-CD1 3.59Å; K195-L243 HydrophobicContact CD-CD2 4.48Å; K195-L243 HydrophobicContact CG-CD1 3.71Å; T241-L243 HydrophobicContact CG2-CD1 3.87Å; T241-L243 HydrophobicContact CG2-CG 4.2Å; T241-L243 WeakPolarHBondContact O-CD1 3.29Å; L243-D251 HydrophobicContact CB-CB 4.36Å; L243-D251 HydrophobicContact CD2-CB 3.84Å; L243-D252 CarbonylContact C-O 3.59Å; L243-D252 WeakPolarHBondContact CA-O 3.36Å; L243-D252 VanDerWaalsContact CB-O 3.32Å; L243-D252 WeakPolarHBondContact CB-O 3.15Å; L243-I253 HydrophobicContact CD2-CG1 3.83Å; L243-I253 HydrophobicContact CG-CG1 4.24Å
244S93.7Very high87.9Confident7 Ų759.9 Ų59.95%0.04928%0.281CS..EExtended strand (participates in β ladder)trans-91132.1160.4-168.30000108.9D191 D251 D252D191-S244 PolarHBondContact N-OG 2.8Å; S244-D251 CarbonylContact O-C 3.31Å; S244-D251 VanDerWaalsContact O-CA 3.25Å; S244-D251 WeakPolarHBondContact O-CA 3.45Å; S244-D251 WeakPolarHBondContact O-CB 3.46Å; S244-D252 PolarHBondContact N-O 2.95Å; S244-D252 PolarHBondContact O-N 2.96Å; S244-D252 VanDerWaalsContact O-N 3.12Å
245F92.9Very high88.1Confident62 Ų6256.5 Ų56.527%0.27227%0.265SS..  trans-78132.7176172.2-83.5000111.1D191 Y193 V210 R212 R247 D251D191-F245 HydrophobicContact CB-CB 4.07Å; D191-F245 PolarHBondContact O-N 3.46Å; Y193-F245 HydrophobicContact CD1-CB 4.09Å; Y193-F245 HydrophobicContact CE1-CB 4.13Å; V210-F245 HydrophobicContact CG1-CB 3.68Å; V210-F245 HydrophobicContact CG1-CG 4.12Å; V210-F245 HydrophobicContact CG2-CB 4.02Å; V210-F245 HydrophobicContact CG2-CD2 4.12Å; V210-F245 HydrophobicContact CG2-CG 4.17Å; R212-F245 VanDerWaalsContact NH1-CD1 3.3Å; F245-R247 HydrophobicContact CE1-CB 4.11Å; F245-D251 WeakPolarHBondContact CA-OD1 3.2Å
246D85.6Confident88.5Confident53 Ų5351.4 Ų51.428%0.28324%0.241SC..  trans-113.2142.3167.7-166.5-29000110.3F248 S249 D251D246-F248 PolarHBondContact OD1-N 2.98Å; D246-S249 VanDerWaalsContact CG-N 3.34Å; D246-S249 VanDerWaalsContact CG-OG 3.3Å; D246-S249 PolarHBondContact OD1-N 2.71Å; D246-S249 VanDerWaalsContact OD1-N 3.16Å; D246-S249 WeakPolarHBondContact OD2-CB 3.32Å; D246-S249 PolarHBondContact OD2-OG 2.7Å; D246-D251 PolarHBondContact N-OD1 2.72Å
247R86.5Confident88.7Confident193 Ų19350.5 Ų50.573%0.72824%0.237SC*.SBendtrans-82.7-29.4175.9-178.5174178.9-173.2-1113.3F245F245-R247 HydrophobicContact CE1-CB 4.11Å
248F80Confident88.8Confident174 Ų17453.7 Ų53.776%0.76325%0.251SS*.SBendtrans-120.5-15.8-168.1-56.5-66.7000113.3D246D246-F248 PolarHBondContact OD1-N 2.98Å
249S77.9Confident88.7Confident75 Ų7553.8 Ų53.852%0.52425%0.252SS..SBendtrans-122.9-157.1174.596.40000112.6D246D246-S249 VanDerWaalsContact CG-N 3.34Å; D246-S249 VanDerWaalsContact CG-OG 3.3Å; D246-S249 PolarHBondContact OD1-N 2.71Å; D246-S249 VanDerWaalsContact OD1-N 3.16Å; D246-S249 WeakPolarHBondContact OD2-CB 3.32Å; D246-S249 PolarHBondContact OD2-OG 2.7Å
250R74.4Confident88.5Confident189 Ų18955.8 Ų55.871%0.71327%0.267SS*.PPolyproline II helixtrans-93.5139.1175.3-69.8-169.3-69.2-172.2-3.7109.1D252 D318R250-D252 PolarHBondContact O-N 3.15Å; R250-D318 IonicContact NH1-OD2 2.64Å; R250-D318 PolarHBondContact NH1-OD2 2.96Å
251D83.5Confident88.1Confident46 Ų4655.8 Ų55.825%0.24627%0.267CS..PPolyproline II helixtrans-52.4122.9175.8-59.2-27.1000112.8Y193 K195 L243 S244 F245 D246Y193-D251 HydrophobicContact CE1-CB 4.43Å; Y193-D251 PolarHBondContact OH-OD2 3.48Å; K195-D251 IonicContact NZ-OD2 3.91Å; L243-D251 HydrophobicContact CB-CB 4.36Å; L243-D251 HydrophobicContact CD2-CB 3.84Å; S244-D251 CarbonylContact O-C 3.31Å; S244-D251 VanDerWaalsContact O-CA 3.25Å; S244-D251 WeakPolarHBondContact O-CA 3.45Å; S244-D251 WeakPolarHBondContact O-CB 3.46Å; F245-D251 WeakPolarHBondContact CA-OD1 3.2Å; D246-D251 PolarHBondContact N-OD1 2.72Å
252D83.9Confident87.7Confident70 Ų7059 Ų5937%0.37429%0.289SS..EExtended strand (participates in β ladder)trans-71.2134.4176.6-69.7-59.2000111.8M183 L243 S244 R250 I254M183-D252 HydrophobicContact CB-CB 4.34Å; M183-D252 HydrophobicContact CG-CB 4.22Å; M183-D252 HydrophobicContact SD-CB 4.03Å; L243-D252 CarbonylContact C-O 3.59Å; L243-D252 WeakPolarHBondContact CA-O 3.36Å; L243-D252 VanDerWaalsContact CB-O 3.32Å; L243-D252 WeakPolarHBondContact CB-O 3.15Å; S244-D252 PolarHBondContact N-O 2.95Å; S244-D252 PolarHBondContact O-N 2.96Å; S244-D252 VanDerWaalsContact O-N 3.12Å; R250-D252 PolarHBondContact O-N 3.15Å; D252-I254 PolarHBondContact O-N 2.81Å
253I89.2Confident86.9Confident82 Ų8262.5 Ų62.542%0.42133%0.325SS..EExtended strand (participates in β ladder)trans-87.7105.6174.8-59.9172.8000108.8T241 L243 R280T241-I253 HydrophobicContact CG2-CG2 3.86Å; L243-I253 HydrophobicContact CD2-CG1 3.83Å; L243-I253 HydrophobicContact CG-CG1 4.24Å; I253-R280 HydrophobicContact CG2-CB 4.16Å
254I91.8Very high86.6Confident5 Ų563.3 Ų63.33%0.02633%0.33CS..EExtended strand (participates in β ladder)trans-64.2-47.1173.3-65.5172.9000109.9L180 P181 M183 V242 D252L180-I254 HydrophobicContact CD1-CD1 4.28Å; L180-I254 HydrophobicContact CD2-CG2 4.3Å; P181-I254 HydrophobicContact CG-CG2 3.72Å; M183-I254 HydrophobicContact CE-CG1 4.23Å; M183-I254 HydrophobicContact CG-CD1 4.31Å; M183-I254 HydrophobicContact CG-CG1 3.77Å; M183-I254 HydrophobicContact SD-CG1 4.34Å; V242-I254 HydrophobicContact CB-CB 4.38Å; V242-I254 HydrophobicContact CG1-CB 4.25Å; V242-I254 HydrophobicContact CG1-CD1 4.26Å; V242-I254 HydrophobicContact CG1-CG2 4.49Å; V242-I254 PolarHBondContact O-N 2.86Å; D252-I254 PolarHBondContact O-N 2.81Å
255G91.8Very high86.2Confident0 Ų069.2 Ų69.20%036%0.357CS..EExtended strand (participates in β ladder)trans174-166.4179.600000113.5V242 I278V242-G255 PolarHBondContact N-O 3.44Å; V242-G255 PolarHBondContact O-N 2.86Å; G255-I278 WeakPolarHBondContact CA-O 3.41Å
256E90.6Very high86.1Confident38 Ų3866.4 Ų66.418%0.17834%0.344CS..EExtended strand (participates in β ladder)trans-142.9161.9178.865.3-172.2174.600113.3H239 F240 I278 R280H239-E256 IonicContact CD2-OE2 3.72Å; H239-E256 IonicContact CE1-OE2 2.72Å; H239-E256 PolarHBondContact CE1-OE2 2.8Å; H239-E256 IonicContact NE2-OE2 2.7Å; H239-E256 PolarHBondContact NE2-OE2 3.22Å; F240-E256 CarbonylContact O-C 3.36Å; F240-E256 WeakPolarHBondContact O-CA 3.28Å; F240-E256 WeakPolarHBondContact O-CB 3.27Å; E256-I278 HydrophobicContact CG-CD1 4.43Å; E256-I278 HydrophobicContact CG-CG1 4.1Å; E256-I278 PolarHBondContact N-O 3.01Å; E256-I278 WeakPolarHBondContact O-CG1 3.5Å; E256-I278 PolarHBondContact O-N 2.77Å; E256-R280 HydrophobicContact CG-CB 4.23Å; E256-R280 HydrophobicContact CG-CG 4.44Å; E256-R280 IonicContact OE2-CZ 3.93Å; E256-R280 IonicContact OE2-NE 3.28Å; E256-R280 IonicContact OE2-NH1 2.86Å; E256-R280 PolarHBondContact OE2-NH1 2.95Å
257V92.5Very high85.9Confident4 Ų466.1 Ų66.12%0.02435%0.346CS..EExtended strand (participates in β ladder)trans-134.6128.6173.7178.10000107.8L157 F240 I259 R275 I277L157-V257 HydrophobicContact CB-CG2 4.15Å; L157-V257 HydrophobicContact CD2-CB 4.26Å; L157-V257 HydrophobicContact CD2-CG2 4.07Å; F240-V257 HydrophobicContact CB-CB 4.26Å; F240-V257 HydrophobicContact CD2-CB 4.26Å; F240-V257 HydrophobicContact CD2-CG1 4.35Å; F240-V257 PolarHBondContact N-O 3.45Å; F240-V257 PolarHBondContact O-N 2.84Å; V257-I259 HydrophobicContact CG1-CD1 4.06Å; V257-I259 HydrophobicContact CG1-CG1 3.75Å; V257-R275 HydrophobicContact CG1-CB 3.49Å; V257-R275 VanDerWaalsContact CG1-CB 3.49Å; V257-R275 HydrophobicContact CG1-CG 3.9Å; V257-R275 HydrophobicContact CG2-CB 4.46Å; V257-I277 HydrophobicContact CG2-CB 4.48Å; V257-I277 HydrophobicContact CG2-CG1 3.96Å
258L90Very high85.6Confident95 Ų9564.4 Ų64.450%0.49735%0.352SS..EExtended strand (participates in β ladder)trans-114.5125173.1-176.968.5000109L199 L238 H239L199-L258 HydrophobicContact CD1-CD1 3.86Å; L238-L258 WeakPolarHBondContact O-CA 3.48Å; H239-L258 HydrophobicContact CB-CD1 4.17Å
259I88.6Confident85.7Confident2 Ų257.6 Ų57.61%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-123.599.7179.8-44.9-173.3000108.4L159 S237 L238 F240 V257 L261 I264 M273 R275L159-I259 HydrophobicContact CD1-CD1 3.96Å; L159-I259 HydrophobicContact CD2-CD1 3.72Å; L159-I259 HydrophobicContact CG-CD1 4.47Å; S237-I259 CarbonylContact C-O 3.56Å; S237-I259 VanDerWaalsContact CA-O 3.32Å; S237-I259 WeakPolarHBondContact CA-O 3.29Å; L238-I259 HydrophobicContact CB-CB 4.33Å; L238-I259 PolarHBondContact N-O 3.37Å; L238-I259 PolarHBondContact O-N 3.35Å; F240-I259 HydrophobicContact CD2-CD1 4.38Å; F240-I259 HydrophobicContact CE2-CD1 3.78Å; F240-I259 HydrophobicContact CE2-CG1 4.19Å; V257-I259 HydrophobicContact CG1-CD1 4.06Å; V257-I259 HydrophobicContact CG1-CG1 3.75Å; I259-L261 HydrophobicContact CG2-CD2 4.41Å; I259-L261 PolarHBondContact O-N 3.43Å; I259-I264 HydrophobicContact CG2-CD1 4.08Å; I259-M273 HydrophobicContact CD1-SD 3.85Å; I259-M273 HydrophobicContact CG2-SD 3.9Å; I259-R275 HydrophobicContact CD1-CG 3.79Å; I259-R275 HydrophobicContact CG1-CG 4.11Å
260P85.9Confident86.2Confident65 Ų6558.9 Ų58.942%0.42233%0.327SS..EExtended strand (participates in β ladder)trans-58.3133.7163.5-2033.1000109.5
261L87.4Confident87.1Confident0 Ų053.6 Ų53.60%031%0.311CS..  trans-90.6-5.5177.2-59.8-172.8000112.6L161 F170 I233 Q234 L236 L238 I259 G263 I264L161-L261 HydrophobicContact CD1-CD2 3.82Å; F170-L261 HydrophobicContact CE1-CD1 3.66Å; F170-L261 HydrophobicContact CE2-CD1 4.4Å; F170-L261 HydrophobicContact CZ-CD1 3.48Å; F170-L261 VanDerWaalsContact CZ-CD1 3.48Å; F170-L261 HydrophobicContact CZ-CD2 4.47Å; I233-L261 HydrophobicContact CG2-CB 4.13Å; I233-L261 HydrophobicContact CG2-CD1 3.9Å; I233-L261 VanDerWaalsContact O-CB 3.22Å; I233-L261 WeakPolarHBondContact O-CB 3.15Å; Q234-L261 PolarHBondContact OE1-O 2.84Å; L236-L261 HydrophobicContact CB-CD1 4.09Å; L236-L261 PolarHBondContact O-N 3.01Å; L238-L261 HydrophobicContact CD1-CD2 4.13Å; L238-L261 HydrophobicContact CG-CD1 4.21Å; L238-L261 HydrophobicContact CG-CD2 4.08Å; L238-L261 HydrophobicContact CG-CG 4.37Å; I259-L261 HydrophobicContact CG2-CD2 4.41Å; I259-L261 PolarHBondContact O-N 3.43Å; L261-G263 PolarHBondContact O-N 2.87Å; L261-I264 HydrophobicContact CD2-CD1 3.85Å; L261-I264 WeakPolarHBondContact O-CB 3.49Å; L261-I264 PolarHBondContact O-N 3.42Å
262S84.1Confident87.6Confident74 Ų7456.3 Ų56.352%0.51733%0.325SS..THydrogen-bonded Turntrans-56.3122.9170.158.10000111.6Q234 I264Q234-S262 WeakPolarHBondContact O-CA 3.35Å; Q234-S262 WeakPolarHBondContact O-CB 3.29Å; Q234-S262 PolarHBondContact O-N 3.01Å; S262-I264 VanDerWaalsContact C-N 3.29Å
263G81.3Confident88.1Confident74 Ų7454.2 Ų54.276%0.76331%0.313SS*.THydrogen-bonded Turntrans79.63.9-177.200000114.5L261L261-G263 PolarHBondContact O-N 2.87Å
264I86.9Confident88.4Confident21 Ų2154.3 Ų54.311%0.10832%0.315CS..  trans-90.1113.7170.3-55.5-174.2000108.3L161 Q234 I259 L261 S262 L266 M273L161-I264 HydrophobicContact CD1-CD1 4.18Å; Q234-I264 PolarHBondContact NE2-O 3.14Å; I259-I264 HydrophobicContact CG2-CD1 4.08Å; L261-I264 HydrophobicContact CD2-CD1 3.85Å; L261-I264 WeakPolarHBondContact O-CB 3.49Å; L261-I264 PolarHBondContact O-N 3.42Å; S262-I264 VanDerWaalsContact C-N 3.29Å; I264-L266 HydrophobicContact CG2-CD2 3.79Å; I264-L266 HydrophobicContact CG2-CG 4.09Å; I264-M273 HydrophobicContact CD1-CE 3.7Å
265E86.7Confident88.5Confident132 Ų13259 Ų5962%0.61733%0.332SS*.  trans-86.1127.6173.8-173.7148.4-132.200110.2S267E265-S267 VanDerWaalsContact CG-OG 3.29Å; E265-S267 WeakPolarHBondContact CG-OG 3.46Å
266L89.1Confident88.7Confident2 Ų265.5 Ų65.51%0.0136%0.363CS..  trans-124.823.8-177.9-59.5177000111.4L161 F170 Y230 I233 I264 M271L161-L266 HydrophobicContact CB-CD1 4.42Å; L161-L266 HydrophobicContact CB-CD2 3.84Å; F170-L266 HydrophobicContact CD2-CD1 4.11Å; F170-L266 HydrophobicContact CE2-CD1 3.63Å; Y230-L266 HydrophobicContact CE2-CB 4.05Å; Y230-L266 PolarHBondContact OH-N 2.8Å; I233-L266 HydrophobicContact CG2-CD1 4.2Å; I264-L266 HydrophobicContact CG2-CD2 3.79Å; I264-L266 HydrophobicContact CG2-CG 4.09Å; L266-M271 HydrophobicContact CD2-CB 3.77Å
267S83Confident88.9Confident47 Ų4764.1 Ų64.133%0.32936%0.356SS..SBendtrans-69.6-42.6172.751.60000111.6Y230 E265 G269Y230-S267 PolarHBondContact OH-N 3.29Å; E265-S267 VanDerWaalsContact CG-OG 3.29Å; E265-S267 WeakPolarHBondContact CG-OG 3.46Å; S267-G269 PolarHBondContact O-N 2.96Å; S267-G269 VanDerWaalsContact O-N 3.14Å
268D78.9Confident88.7Confident158 Ų15868.2 Ų68.285%0.84538%0.377SS*.SBendtrans-89.922.5-165-61.57.1000112.4
269G82.5Confident88.4Confident31 Ų3170.1 Ų70.132%0.3238%0.381SS..SBendtrans94.2-132.9176.700000114.2S267 M271S267-G269 PolarHBondContact O-N 2.96Å; S267-G269 VanDerWaalsContact O-N 3.14Å; G269-M271 PolarHBondContact O-N 2.85Å
270K89.3Confident87.6Confident101 Ų10174.1 Ų74.144%0.43940%0.396SS..  trans-91101.2-164.9-175.1170.2-178.91700112.4S160 E162 N173 L272S160-K270 WeakPolarHBondContact OG-CE 3.13Å; S160-K270 PolarHBondContact OG-NZ 3.38Å; E162-K270 HydrophobicContact CB-CB 4.39Å; E162-K270 HydrophobicContact CB-CG 4.49Å; E162-K270 HydrophobicContact CG-CB 4.43Å; N173-K270 PolarHBondContact OD1-NZ 3.4Å; K270-L272 HydrophobicContact CG-CD2 4.33Å
271M92.5Very high85.8Confident79 Ų7975.5 Ų75.539%0.38940%0.4SS..EExtended strand (participates in β ladder)trans-72.4128.4173-177.75967.400111S160 L161 L266 G269S160-M271 CarbonylContact C-O 3.45Å; S160-M271 WeakPolarHBondContact CA-O 3.15Å; S160-M271 WeakPolarHBondContact CB-O 3.46Å; L161-M271 HydrophobicContact CB-CB 4.48Å; L161-M271 PolarHBondContact N-O 2.87Å; L161-M271 PolarHBondContact O-N 3.08Å; L266-M271 HydrophobicContact CD2-CB 3.77Å; G269-M271 PolarHBondContact O-N 2.85Å
272L94.4Very high83.9Confident102 Ų10278.2 Ų78.253%0.53442%0.423SS..EExtended strand (participates in β ladder)trans-100.8137.5171.8-56.3-171.2000109.8S160 K270S160-L272 VanDerWaalsContact CB-CD2 3.45Å; K270-L272 HydrophobicContact CG-CD2 4.33Å
273M93.9Very high81.8Confident27 Ų2783.8 Ų83.813%0.13344%0.437CS..EExtended strand (participates in β ladder)trans-151.2157.4171.660.116652.500113.4L159 L161 I259 I264L159-M273 HydrophobicContact CD1-CG 4.11Å; L159-M273 HydrophobicContact CD1-SD 4.36Å; L159-M273 HydrophobicContact CD2-CG 4.25Å; L159-M273 HydrophobicContact CG-CG 3.91Å; L159-M273 PolarHBondContact N-O 2.67Å; L159-M273 PolarHBondContact O-N 2.78Å; L159-M273 VanDerWaalsContact O-O 3.05Å; L161-M273 HydrophobicContact CD1-CE 4.44Å; L161-M273 HydrophobicContact CD1-SD 4.28Å; I259-M273 HydrophobicContact CD1-SD 3.85Å; I259-M273 HydrophobicContact CG2-SD 3.9Å; I264-M273 HydrophobicContact CD1-CE 3.7Å
274N95.1Very high79.9Confident84 Ų8489.7 Ų89.745%0.44944%0.442SS..EExtended strand (participates in β ladder)trans-121.1154.8169.466.473.5000110.3T156 L157 F158T156-N274 HydrophobicContact CG2-CB 3.88Å; L157-N274 CarbonylContact O-C 3.55Å; L157-N274 WeakPolarHBondContact O-CA 3.15Å; F158-N274 HydrophobicContact CD1-CB 3.62Å; F158-N274 HydrophobicContact CE1-CB 3.68Å; F158-N274 HydrophobicContact CG-CB 4.2Å; F158-N274 HydrophobicContact CZ-CB 4.29Å
275R94.7Very high77.7Confident104 Ų10492.7 Ų92.739%0.39247%0.465SS..EExtended strand (participates in β ladder)trans-145.9134.7177-69-64.9177.8-104.49.8110.2L157 V257 I259L157-R275 PolarHBondContact N-O 3.2Å; L157-R275 PolarHBondContact O-N 2.96Å; V257-R275 HydrophobicContact CG1-CB 3.49Å; V257-R275 VanDerWaalsContact CG1-CB 3.49Å; V257-R275 HydrophobicContact CG1-CG 3.9Å; V257-R275 HydrophobicContact CG2-CB 4.46Å; I259-R275 HydrophobicContact CD1-CG 3.79Å; I259-R275 HydrophobicContact CG1-CG 4.11Å
276E95.3Very high75.8Confident136 Ų13690.1 Ų90.164%0.63646%0.462SS*.EExtended strand (participates in β ladder)trans-61.8139.2171-62-170.3146.800110.3I278E276-I278 PolarHBondContact O-N 3.28Å
277I94.6Very high74.5Confident8 Ų892 Ų924%0.04148%0.481CS..PPolyproline II helixtrans-80.8117.5175.2-63.7166.7000107.3L154 G155 L157 A177 L180 V242 V257L154-I277 HydrophobicContact CB-CB 4.19Å; L154-I277 HydrophobicContact CB-CG2 3.94Å; L154-I277 WeakPolarHBondContact O-CD1 3.02Å; G155-I277 WeakPolarHBondContact O-CB 3.28Å; G155-I277 PolarHBondContact O-N 3.45Å; L157-I277 HydrophobicContact CB-CG1 4.26Å; A177-I277 HydrophobicContact CB-CD1 4.43Å; L180-I277 HydrophobicContact CD2-CD1 3.37Å; V242-I277 HydrophobicContact CG2-CD1 4.06Å; V242-I277 HydrophobicContact CG2-CG1 4.35Å; V242-I277 HydrophobicContact CG2-CG2 4.45Å; V257-I277 HydrophobicContact CG2-CB 4.48Å; V257-I277 HydrophobicContact CG2-CG1 3.96Å
278I88.6Confident74.2Confident91 Ų9192.7 Ų92.747%0.46748%0.477SS..BIsolated β-bridgetrans-91.5146.3179.258.6163.5000110.7G255 E256 E276 R280G255-I278 WeakPolarHBondContact CA-O 3.41Å; E256-I278 HydrophobicContact CG-CD1 4.43Å; E256-I278 HydrophobicContact CG-CG1 4.1Å; E256-I278 PolarHBondContact N-O 3.01Å; E256-I278 WeakPolarHBondContact O-CG1 3.5Å; E256-I278 PolarHBondContact O-N 2.77Å; E276-I278 PolarHBondContact O-N 3.28Å; I278-R280 PolarHBondContact O-N 2.82Å; I278-R280 VanDerWaalsContact O-N 3.15Å
279K83.8Confident74.5Confident135 Ų13585.3 Ų85.359%0.58744%0.438SS*.PPolyproline II helixtrans-61.6121.9174.5-160.7160.5-169.2158.90107.3E152 L154 N281E152-K279 IonicContact OE2-NZ 3.57Å; L154-K279 HydrophobicContact CD1-CB 3.61Å; L154-K279 HydrophobicContact CD1-CG 4.06Å; L154-K279 VanDerWaalsContact CD1-N 3.31Å; K279-N281 PolarHBondContact O-N 3.11Å; K279-N281 PolarHBondContact O-ND2 3.16Å
280R71.7Confident75Confident86 Ų8686 Ų8633%0.32543%0.433SS..  trans-59.2105.8176.8-177.3172.4-170.7117.5-24.7107.6T241 I253 E256 I278 A282T241-R280 PolarHBondContact OG1-NH1 2.84Å; I253-R280 HydrophobicContact CG2-CB 4.16Å; E256-R280 HydrophobicContact CG-CB 4.23Å; E256-R280 HydrophobicContact CG-CG 4.44Å; E256-R280 IonicContact OE2-CZ 3.93Å; E256-R280 IonicContact OE2-NE 3.28Å; E256-R280 IonicContact OE2-NH1 2.86Å; E256-R280 PolarHBondContact OE2-NH1 2.95Å; I278-R280 PolarHBondContact O-N 2.82Å; I278-R280 VanDerWaalsContact O-N 3.15Å; R280-A282 VanDerWaalsContact C-N 3.29Å; R280-A282 PolarHBondContact O-N 3.49Å
281N48.9Very low75.3Confident93 Ų9381.1 Ų81.150%0.49741%0.412SS..  trans-74.387.7-172-102.4-80.6000108.7K279 K283 K284K279-N281 PolarHBondContact O-N 3.11Å; K279-N281 PolarHBondContact O-ND2 3.16Å; N281-K283 PolarHBondContact O-N 3.08Å; N281-K283 VanDerWaalsContact O-N 3.11Å; N281-K284 HydrophobicContact CB-CB 4.47Å; N281-K284 PolarHBondContact O-N 2.65Å
282A46.5Very low75.5Confident58 Ų5878.5 Ų78.548%0.47940%0.399SS..Hα-helixtrans-45.8-45.3173.700000109.8R280 K284 S285 S286R280-A282 VanDerWaalsContact C-N 3.29Å; R280-A282 PolarHBondContact O-N 3.49Å; A282-K284 PolarHBondContact O-N 3.14Å; A282-S285 CarbonylContact O-C 3.54Å; A282-S285 VanDerWaalsContact O-C 3.29Å; A282-S285 WeakPolarHBondContact O-CA 3.39Å; A282-S285 PolarHBondContact O-N 3.42Å; A282-S286 VanDerWaalsContact C-OG 3.31Å; A282-S286 WeakPolarHBondContact O-CA 3.19Å; A282-S286 WeakPolarHBondContact O-CB 3.34Å; A282-S286 PolarHBondContact O-N 2.82Å; A282-S286 PolarHBondContact O-OG 2.88Å
283K40.1Very low75.7Confident190 Ų19073.7 Ų73.783%0.82637%0.374SS*.Hα-helixtrans-55.7-19.2177.5-66.1-174.5176.9179.30116.6N281N281-K283 PolarHBondContact O-N 3.08Å; N281-K283 VanDerWaalsContact O-N 3.11Å
284K40.8Very low75.9Confident198 Ų19872.8 Ų72.886%0.86137%0.37SS*.Hα-helixtrans-98.5-5.5171.7-81.5-174.3175.7177.40114N281 A282N281-K284 HydrophobicContact CB-CB 4.47Å; N281-K284 PolarHBondContact O-N 2.65Å; A282-K284 PolarHBondContact O-N 3.14Å
285S40.8Very low76Confident85 Ų8568.8 Ų68.859%0.59435%0.349SS*.Hα-helixtrans-130.212.7174.970.60000114.5A282A282-S285 CarbonylContact O-C 3.54Å; A282-S285 VanDerWaalsContact O-C 3.29Å; A282-S285 WeakPolarHBondContact O-CA 3.39Å; A282-S285 PolarHBondContact O-N 3.42Å
286S48.4Very low76.1Confident77 Ų7764.5 Ų64.554%0.53834%0.335SS..  trans-122.229.7-173.778.50000113.6A282A282-S286 VanDerWaalsContact C-OG 3.31Å; A282-S286 WeakPolarHBondContact O-CA 3.19Å; A282-S286 WeakPolarHBondContact O-CB 3.34Å; A282-S286 PolarHBondContact O-N 2.82Å; A282-S286 PolarHBondContact O-OG 2.88Å
287G61Low76Confident41 Ų4158.8 Ų58.842%0.42331%0.307SS..SBendtrans-74.5150.2145.200000107.7G289G287-G289 PolarHBondContact O-N 2.83Å
288R75.6Confident76Confident63 Ų6362 Ų6224%0.23832%0.322CS..  trans-73.330.3170.7-74.9166.8165.6-117.319.1112.3L314 V387 I388 L422 C423 D424R288-L314 WeakPolarHBondContact O-CD2 3.43Å; R288-V387 PolarHBondContact NH1-O 3.36Å; R288-I388 VanDerWaalsContact CB-O 3.28Å; R288-I388 WeakPolarHBondContact CB-O 3.17Å; R288-I388 WeakPolarHBondContact CD-O 3.25Å; R288-I388 WeakPolarHBondContact CG-O 3.07Å; R288-I388 PolarHBondContact NH1-O 3.31Å; R288-L422 HydrophobicContact CB-CB 3.74Å; R288-L422 WeakPolarHBondContact O-CD1 3.46Å; R288-C423 WeakPolarHBondContact CD-O 3.33Å; R288-D424 IonicContact CZ-OD1 3.71Å; R288-D424 IonicContact NE-OD1 3.72Å; R288-D424 PolarHBondContact NE-OD1 2.89Å; R288-D424 IonicContact NH2-OD1 2.76Å; R288-D424 PolarHBondContact NH2-OD1 2.84Å
289G86.4Confident76Confident3 Ų360.1 Ų60.13%0.03132%0.317CS..  trans77-176.2-161.300000113.9G287 R312 H313 L422G287-G289 PolarHBondContact O-N 2.83Å; G289-R312 CarbonylContact C-O 3.41Å; G289-R312 VanDerWaalsContact CA-O 3.23Å; G289-R312 WeakPolarHBondContact CA-O 3.36Å; G289-H313 WeakPolarHBondContact CA-O 3.48Å; G289-H313 PolarHBondContact N-O 2.89Å; G289-L422 WeakPolarHBondContact O-CB 3.47Å; G289-L422 PolarHBondContact O-N 3.43Å
290E92.1Very high76.3Confident44 Ų4458.2 Ų58.221%0.20632%0.317CS..EExtended strand (participates in β ladder)trans-123.1146.9173-62.8169.2111.700109.5A311 R312 H313 W419 H420 M421E290-A311 CarbonylContact O-C 3.56Å; E290-A311 WeakPolarHBondContact O-CA 3.15Å; E290-R312 HydrophobicContact CB-CG 4.27Å; E290-R312 PolarHBondContact N-O 2.99Å; E290-R312 PolarHBondContact O-N 2.81Å; E290-R312 IonicContact OE1-NH2 2.77Å; E290-R312 PolarHBondContact OE1-NH2 2.79Å; E290-R312 IonicContact OE2-CZ 3.08Å; E290-R312 IonicContact OE2-NE 2.64Å; E290-R312 PolarHBondContact OE2-NE 2.86Å; E290-R312 IonicContact OE2-NH2 2.72Å; E290-R312 PolarHBondContact OE2-NH2 3.47Å; E290-H313 IonicContact OE2-ND1 2.82Å; E290-W419 HydrophobicContact CB-CE3 3.77Å; E290-W419 HydrophobicContact CB-CZ3 4.13Å; E290-H420 CarbonylContact C-O 3.51Å; E290-H420 WeakPolarHBondContact CA-O 3.31Å; E290-H420 WeakPolarHBondContact CB-O 3.42Å; E290-M421 HydrophobicContact CG-CG 4.3Å
291L95.7Very high77.3Confident0 Ų057.7 Ų57.70%032%0.324CS..EExtended strand (participates in β ladder)trans-118126.7176.8-169.268.7000110.2V293 V308 A311 V327 F374 V376 L391 H420 L422L291-V293 HydrophobicContact CD2-CG1 3.56Å; L291-V293 HydrophobicContact CG-CG1 3.71Å; L291-V308 HydrophobicContact CD1-CG1 4.22Å; L291-A311 HydrophobicContact CD1-CB 3.86Å; L291-V327 HydrophobicContact CD1-CG2 4.2Å; L291-V327 HydrophobicContact CD2-CG1 4.33Å; L291-F374 HydrophobicContact CD2-CB 3.83Å; L291-F374 HydrophobicContact CD2-CD1 4.1Å; L291-F374 HydrophobicContact CD2-CG 4.07Å; L291-V376 HydrophobicContact CD1-CG2 4.48Å; L291-V376 HydrophobicContact CD2-CG2 4.36Å; L291-L391 HydrophobicContact CD2-CD2 4.29Å; L291-H420 PolarHBondContact N-O 3.21Å; L291-H420 PolarHBondContact O-N 3.07Å; L291-L422 HydrophobicContact CB-CD1 4.41Å; L291-L422 HydrophobicContact CB-CD2 4.2Å; L291-L422 HydrophobicContact CB-CG 4.37Å
292L97.3Very high79.3Confident24 Ų2455.2 Ų55.213%0.12631%0.31CS..EExtended strand (participates in β ladder)trans-90.8112.3168.9-178.559000108.3L309 K310 A417 K418 W419L292-L309 HydrophobicContact CB-CB 4.37Å; L292-L309 HydrophobicContact CD2-CB 4.12Å; L292-L309 HydrophobicContact CD2-CD1 4.04Å; L292-L309 HydrophobicContact CG-CB 4.01Å; L292-L309 HydrophobicContact CG-CD1 3.86Å; L292-L309 WeakPolarHBondContact O-CB 3.18Å; L292-L309 PolarHBondContact O-N 2.88Å; L292-L309 VanDerWaalsContact O-N 3.08Å; L292-K310 HydrophobicContact CB-CG 4.06Å; L292-K310 WeakPolarHBondContact CB-O 3.26Å; L292-K310 HydrophobicContact CD2-CD 4.45Å; L292-K310 HydrophobicContact CD2-CG 3.98Å; L292-K310 PolarHBondContact N-O 2.86Å; L292-K310 PolarHBondContact O-N 2.97Å; L292-A417 HydrophobicContact CD1-CB 4.46Å; L292-K418 VanDerWaalsContact CD1-C 3.41Å; L292-K418 WeakPolarHBondContact CD1-O 3.17Å; L292-W419 HydrophobicContact CB-CD2 3.78Å; L292-W419 HydrophobicContact CB-CE3 3.66Å; L292-W419 HydrophobicContact CB-CH2 3.9Å; L292-W419 HydrophobicContact CB-CZ2 4.01Å; L292-W419 HydrophobicContact CB-CZ3 3.71Å; L292-W419 HydrophobicContact CD1-CD2 4.25Å; L292-W419 HydrophobicContact CD1-CG 4.18Å; L292-W419 HydrophobicContact CD2-CZ2 4.14Å; L292-W419 HydrophobicContact CG-CD2 4.45Å
293V97.8Very high81.6Confident0 Ų053.5 Ų53.50%029%0.294CS..EExtended strand (participates in β ladder)trans-120.1152.4174.7-600000109.9L291 L295 V307 F374 L391 L393 A417 K418L291-V293 HydrophobicContact CD2-CG1 3.56Å; L291-V293 HydrophobicContact CG-CG1 3.71Å; V293-L295 HydrophobicContact CB-CD1 4.15Å; V293-L295 HydrophobicContact CG2-CD1 3.73Å; V293-V307 WeakPolarHBondContact CA-O 3.35Å; V293-F374 HydrophobicContact CB-CE1 4.28Å; V293-F374 HydrophobicContact CB-CZ 4.18Å; V293-F374 HydrophobicContact CG1-CD1 3.95Å; V293-F374 HydrophobicContact CG1-CE1 3.67Å; V293-F374 HydrophobicContact CG1-CE2 4.45Å; V293-F374 HydrophobicContact CG1-CG 4.45Å; V293-F374 HydrophobicContact CG1-CZ 3.95Å; V293-F374 HydrophobicContact CG2-CZ 4.35Å; V293-L391 HydrophobicContact CG1-CD2 4.48Å; V293-L391 HydrophobicContact CG2-CD2 4.29Å; V293-L393 HydrophobicContact CG2-CD1 4.02Å; V293-A417 WeakPolarHBondContact O-CA 3.36Å; V293-K418 PolarHBondContact N-O 3.38Å; V293-K418 VanDerWaalsContact N-O 3.16Å; V293-K418 PolarHBondContact O-N 3.32Å
294S97.9Very high84.3Confident8 Ų844.4 Ų44.46%0.05625%0.254CS..EExtended strand (participates in β ladder)trans-127.1130.7174.3-167.20000111.2V306 V307 Q415 I416S294-V306 CarbonylContact O-C 3.29Å; S294-V306 WeakPolarHBondContact O-CA 3.47Å; S294-V307 PolarHBondContact N-O 3.2Å; S294-V307 PolarHBondContact O-N 3.32Å; S294-Q415 VanDerWaalsContact C-NE2 3.34Å; S294-Q415 WeakPolarHBondContact OG-CG 3.46Å; S294-Q415 PolarHBondContact OG-NE2 2.87Å; S294-I416 CarbonylContact C-O 3.42Å; S294-I416 WeakPolarHBondContact CA-O 3.18Å; S294-I416 WeakPolarHBondContact CB-O 3.08Å; S294-I416 VanDerWaalsContact OG-C 3.31Å; S294-I416 PolarHBondContact OG-O 2.82Å
295L97.4Very high87Confident0 Ų036.3 Ų36.30%022%0.221CC..EExtended strand (participates in β ladder)trans-122.5145.5-177.6-75.382.9000110.5V293 L304 T305 V306 F374 L393 W405 I408 Q415 I416V293-L295 HydrophobicContact CB-CD1 4.15Å; V293-L295 HydrophobicContact CG2-CD1 3.73Å; L295-L304 HydrophobicContact CD2-CD1 4.47Å; L295-T305 CarbonylContact C-O 3.39Å; L295-T305 WeakPolarHBondContact CA-O 3.42Å; L295-V306 HydrophobicContact CG-CG2 4.32Å; L295-F374 HydrophobicContact CD1-CZ 4.48Å; L295-L393 HydrophobicContact CD1-CD1 3.38Å; L295-L393 HydrophobicContact CD2-CD1 3.67Å; L295-L393 HydrophobicContact CG-CD1 4.21Å; L295-W405 HydrophobicContact CD2-CE3 4.04Å; L295-W405 HydrophobicContact CD2-CZ3 3.71Å; L295-I408 HydrophobicContact CB-CD1 4.07Å; L295-I408 HydrophobicContact CB-CG2 3.89Å; L295-I408 HydrophobicContact CD2-CD1 3.92Å; L295-Q415 PolarHBondContact O-NE2 3.35Å; L295-I416 PolarHBondContact N-O 2.91Å; L295-I416 PolarHBondContact O-N 3.37Å
296C96.5Very high89.7Confident15 Ų1532.2 Ų32.210%0.10119%0.193CC..EExtended strand (participates in β ladder)trans-145.4118.3172.4177.80000108.4T305 R413 Q415C296-T305 PolarHBondContact N-O 3.31Å; C296-T305 PolarHBondContact O-N 2.94Å; C296-R413 VanDerWaalsContact SG-C 3.57Å; C296-Q415 HydrophobicContact CB-CB 4.35Å
297Y95.1Very high92.1Very high15 Ų1529.5 Ų29.56%0.05917%0.173CC..EExtended strand (participates in β ladder)trans-96.1133.5171.3175.6-126.1000110.7N302 T303 I362 E365 L367 R413Y297-N302 PolarHBondContact OH-OD1 2.85Å; Y297-T303 WeakPolarHBondContact CD2-O 3.46Å; Y297-I362 HydrophobicContact CE2-CG1 4.42Å; Y297-E365 PolarHBondContact OH-O 2.89Å; Y297-E365 VanDerWaalsContact OH-O 3.05Å; Y297-L367 HydrophobicContact CD1-CD1 3.48Å; Y297-L367 VanDerWaalsContact CD1-CD1 3.48Å; Y297-L367 HydrophobicContact CD1-CG 4.13Å; Y297-L367 HydrophobicContact CD2-CD1 4.09Å; Y297-L367 HydrophobicContact CD2-CD2 4.06Å; Y297-L367 HydrophobicContact CD2-CG 4.4Å; Y297-L367 HydrophobicContact CE1-CD1 3.85Å; Y297-L367 HydrophobicContact CE1-CG 3.98Å; Y297-L367 HydrophobicContact CE2-CD1 4.44Å; Y297-L367 HydrophobicContact CE2-CD2 3.94Å; Y297-L367 HydrophobicContact CE2-CG 4.29Å; Y297-L367 HydrophobicContact CG-CD1 3.6Å; Y297-L367 HydrophobicContact CG-CD2 4.42Å; Y297-L367 HydrophobicContact CG-CG 4.32Å; Y297-R413 PolarHBondContact O-N 3.06Å
298Q93.6Very high93.8Very high75 Ų7527.5 Ų27.535%0.3515%0.153SC..EExtended strand (participates in β ladder)trans-119.696.3175.1-178.1175.1-6.100109.7T300 T301 N302 T303 R413Q298-T300 VanDerWaalsContact C-N 3.28Å; Q298-T300 VanDerWaalsContact CG-OG1 3.28Å; Q298-T300 WeakPolarHBondContact CG-OG1 3.19Å; Q298-T300 PolarHBondContact NE2-OG1 2.84Å; Q298-T300 PolarHBondContact O-N 2.6Å; Q298-T301 VanDerWaalsContact CD-OG1 3.26Å; Q298-T301 VanDerWaalsContact CG-OG1 3.24Å; Q298-T301 WeakPolarHBondContact CG-OG1 3.49Å; Q298-T301 PolarHBondContact O-N 3Å; Q298-T301 PolarHBondContact O-OG1 3.33Å; Q298-N302 PolarHBondContact O-N 3Å; Q298-T303 PolarHBondContact N-O 3.49Å; Q298-T303 PolarHBondContact O-N 2.89Å; Q298-R413 HydrophobicContact CG-CG 4.19Å
299S89.5Confident94.8Very high52 Ų5226.6 Ų26.636%0.36415%0.152SC..G310 helixtrans-59.4-32.7-179.252.80000114T301 N302S299-T301 PolarHBondContact O-N 3.27Å; S299-T301 VanDerWaalsContact O-N 3.1Å; S299-N302 PolarHBondContact O-N 3.49Å; S299-N302 PolarHBondContact O-OD1 2.93Å
300T90.1Very high95.1Very high96 Ų9630.9 Ų30.959%0.58917%0.17SC*.G310 helixtrans-62.1-20.9179.357.70000114.2Q298Q298-T300 VanDerWaalsContact C-N 3.28Å; Q298-T300 VanDerWaalsContact CG-OG1 3.28Å; Q298-T300 WeakPolarHBondContact CG-OG1 3.19Å; Q298-T300 PolarHBondContact NE2-OG1 2.84Å; Q298-T300 PolarHBondContact O-N 2.6Å
301T91.4Very high95.2Very high75 Ų7528.9 Ų28.946%0.4616%0.161SC..G310 helixtrans-124.71.6-178.1440000111.9Q298 S299 T303Q298-T301 VanDerWaalsContact CD-OG1 3.26Å; Q298-T301 VanDerWaalsContact CG-OG1 3.24Å; Q298-T301 WeakPolarHBondContact CG-OG1 3.49Å; Q298-T301 PolarHBondContact O-N 3Å; Q298-T301 PolarHBondContact O-OG1 3.33Å; S299-T301 PolarHBondContact O-N 3.27Å; S299-T301 VanDerWaalsContact O-N 3.1Å; T301-T303 PolarHBondContact O-N 2.88Å; T301-T303 PolarHBondContact OG1-OG1 2.88Å
302N91.9Very high94.8Very high41 Ų4133 Ų3322%0.21918%0.177CC..THydrogen-bonded Turntrans44.741.3-168.4-67.4-37.3000113Y297 Q298 S299 I362Y297-N302 PolarHBondContact OH-OD1 2.85Å; Q298-N302 PolarHBondContact O-N 3Å; S299-N302 PolarHBondContact O-N 3.49Å; S299-N302 PolarHBondContact O-OD1 2.93Å; N302-I362 HydrophobicContact CB-CB 4.46Å; N302-I362 VanDerWaalsContact O-CB 3.28Å; N302-I362 WeakPolarHBondContact O-CB 3.41Å; N302-I362 WeakPolarHBondContact O-CG1 2.96Å; N302-I362 PolarHBondContact O-N 2.84Å
303T94.3Very high94.2Very high21 Ų2137.6 Ų37.613%0.12920%0.197CC..EExtended strand (participates in β ladder)trans-107.6136.3179.349.50000111.8Y297 Q298 T301 V359 F360Y297-T303 WeakPolarHBondContact CD2-O 3.46Å; Q298-T303 PolarHBondContact N-O 3.49Å; Q298-T303 PolarHBondContact O-N 2.89Å; T301-T303 PolarHBondContact O-N 2.88Å; T301-T303 PolarHBondContact OG1-OG1 2.88Å; T303-V359 HydrophobicContact CG2-CG1 4.23Å; T303-F360 CarbonylContact C-O 3.59Å; T303-F360 WeakPolarHBondContact CA-O 3.23Å
304L96Very high93.5Very high0 Ų038 Ų380%020%0.199CC..EExtended strand (participates in β ladder)trans-109.9114.3170.7-17767.6000109.5L295 V306 L331 F360 I362 V372 W405 I408L295-L304 HydrophobicContact CD2-CD1 4.47Å; L304-V306 HydrophobicContact CD2-CG2 4.11Å; L304-V306 HydrophobicContact CG-CG2 3.98Å; L304-L331 HydrophobicContact CD2-CD1 4.47Å; L304-F360 PolarHBondContact N-O 2.95Å; L304-F360 PolarHBondContact O-N 3.02Å; L304-I362 HydrophobicContact CB-CD1 3.76Å; L304-I362 HydrophobicContact CB-CG1 3.96Å; L304-I362 HydrophobicContact CD2-CD1 4.35Å; L304-V372 HydrophobicContact CD2-CG2 3.63Å; L304-W405 HydrophobicContact CD2-CH2 3.75Å; L304-W405 HydrophobicContact CD2-CZ3 4.1Å; L304-I408 HydrophobicContact CD1-CD1 3.91Å
305T97.3Very high92.5Very high27 Ų2740.1 Ų40.117%0.16621%0.213CC..EExtended strand (participates in β ladder)trans-92.2121.7173.4-630000109.4L295 C296 V307 L357L295-T305 CarbonylContact C-O 3.39Å; L295-T305 WeakPolarHBondContact CA-O 3.42Å; C296-T305 PolarHBondContact N-O 3.31Å; C296-T305 PolarHBondContact O-N 2.94Å; T305-V307 HydrophobicContact CG2-CG2 4.42Å; T305-L357 HydrophobicContact CG2-CD1 3.82Å; T305-L357 HydrophobicContact CG2-CD2 4.3Å; T305-L357 HydrophobicContact CG2-CG 3.94Å
306V98.1Very high91Very high0 Ų045.1 Ų45.10%024%0.235CC..EExtended strand (participates in β ladder)trans-119.7119.5179.6-178.50000109.1S294 L295 L304 V329 F358 F360 F374S294-V306 CarbonylContact O-C 3.29Å; S294-V306 WeakPolarHBondContact O-CA 3.47Å; L295-V306 HydrophobicContact CG-CG2 4.32Å; L304-V306 HydrophobicContact CD2-CG2 4.11Å; L304-V306 HydrophobicContact CG-CG2 3.98Å; V306-V329 HydrophobicContact CG1-CG1 4.36Å; V306-F358 PolarHBondContact N-O 3.37Å; V306-F358 PolarHBondContact O-N 2.55Å; V306-F360 HydrophobicContact CB-CE2 4.19Å; V306-F360 HydrophobicContact CG2-CD2 4.04Å; V306-F360 HydrophobicContact CG2-CE2 4.02Å; V306-F374 HydrophobicContact CG1-CE1 3.52Å; V306-F374 HydrophobicContact CG1-CZ 3.52Å
307V98.2Very high89.2Confident19 Ų1944.7 Ų44.712%0.11523%0.232CC..EExtended strand (participates in β ladder)trans-109.2119.2174.3-167.40000109.3V293 S294 T305 L309 E356 L357V293-V307 WeakPolarHBondContact CA-O 3.35Å; S294-V307 PolarHBondContact N-O 3.2Å; S294-V307 PolarHBondContact O-N 3.32Å; T305-V307 HydrophobicContact CG2-CG2 4.42Å; V307-L309 HydrophobicContact CG1-CD2 3.73Å; V307-L309 HydrophobicContact CG1-CG 4.07Å; V307-L309 PolarHBondContact O-N 2.88Å; V307-E356 WeakPolarHBondContact CA-O 3.49Å; V307-L357 HydrophobicContact CG2-CB 4.23Å; V307-L357 HydrophobicContact CG2-CD1 3.95Å; V307-L357 HydrophobicContact CG2-CG 4.06Å
308V98.2Very high87Confident0 Ų050.1 Ų50.10%026%0.262CS..EExtended strand (participates in β ladder)trans-85.9107168.6-176.40000106.8L291 V327 V329 T343 F354 N355 E356 F358 F374L291-V308 HydrophobicContact CD1-CG1 4.22Å; V308-V327 HydrophobicContact CG1-CB 4.2Å; V308-V327 HydrophobicContact CG1-CG1 4.5Å; V308-V327 HydrophobicContact CG1-CG2 3.89Å; V308-V329 HydrophobicContact CG2-CG2 3.79Å; V308-T343 HydrophobicContact CB-CG2 4.03Å; V308-T343 HydrophobicContact CG1-CG2 4.05Å; V308-T343 HydrophobicContact CG2-CG2 4.26Å; V308-F354 HydrophobicContact CB-CB 4.41Å; V308-F354 HydrophobicContact CG1-CB 4.01Å; V308-F354 HydrophobicContact CG1-CD2 3.7Å; V308-F354 HydrophobicContact CG1-CE2 4.47Å; V308-F354 HydrophobicContact CG1-CG 3.99Å; V308-F354 WeakPolarHBondContact O-CB 3.41Å; V308-N355 WeakPolarHBondContact O-CA 3.34Å; V308-N355 PolarHBondContact O-N 2.75Å; V308-E356 PolarHBondContact N-O 3.4Å; V308-E356 PolarHBondContact O-N 3.16Å; V308-F358 HydrophobicContact CG2-CD2 4.2Å; V308-F358 HydrophobicContact CG2-CE2 3.88Å; V308-F374 HydrophobicContact CG2-CD1 4.14Å; V308-F374 HydrophobicContact CG2-CE1 4.01Å
309L96.4Very high84.6Confident43 Ų4352.8 Ų52.823%0.22528%0.283CS..EExtended strand (participates in β ladder)trans-86.6-68.1-173.5-69.2165.7000110.6L292 V307 F354 N355 A417L292-L309 HydrophobicContact CB-CB 4.37Å; L292-L309 HydrophobicContact CD2-CB 4.12Å; L292-L309 HydrophobicContact CD2-CD1 4.04Å; L292-L309 HydrophobicContact CG-CB 4.01Å; L292-L309 HydrophobicContact CG-CD1 3.86Å; L292-L309 WeakPolarHBondContact O-CB 3.18Å; L292-L309 PolarHBondContact O-N 2.88Å; L292-L309 VanDerWaalsContact O-N 3.08Å; V307-L309 HydrophobicContact CG1-CD2 3.73Å; V307-L309 HydrophobicContact CG1-CG 4.07Å; V307-L309 PolarHBondContact O-N 2.88Å; L309-F354 PolarHBondContact O-N 2.93Å; L309-N355 PolarHBondContact O-N 2.64Å; L309-N355 PolarHBondContact O-OD1 2.75Å; L309-A417 HydrophobicContact CD1-CB 4.25Å
310K93.3Very high82.6Confident93 Ų9353.9 Ų53.940%0.40429%0.291SS..EExtended strand (participates in β ladder)trans-157.9154.4-178.255.5-178.8175-177.80112.5L292 A352 V353 W419L292-K310 HydrophobicContact CB-CG 4.06Å; L292-K310 WeakPolarHBondContact CB-O 3.26Å; L292-K310 HydrophobicContact CD2-CD 4.45Å; L292-K310 HydrophobicContact CD2-CG 3.98Å; L292-K310 PolarHBondContact N-O 2.86Å; L292-K310 PolarHBondContact O-N 2.97Å; K310-A352 CarbonylContact C-O 3.54Å; K310-A352 WeakPolarHBondContact CA-O 3.1Å; K310-A352 VanDerWaalsContact CB-O 3.3Å; K310-A352 WeakPolarHBondContact CB-O 3.44Å; K310-V353 HydrophobicContact CB-CB 4.46Å; K310-V353 HydrophobicContact CB-CG2 4.11Å; K310-W419 HydrophobicContact CD-CH2 4.26Å; K310-W419 HydrophobicContact CD-CZ2 4.39Å; K310-W419 HydrophobicContact CG-CH2 3.9Å; K310-W419 HydrophobicContact CG-CZ2 4.33Å
311A93.4Very high80.8Confident2 Ų250.6 Ų50.62%0.01728%0.276CS..EExtended strand (participates in β ladder)trans-108.7155.7166.900000110.3E290 L291 L314 N351 A352 F354E290-A311 CarbonylContact O-C 3.56Å; E290-A311 WeakPolarHBondContact O-CA 3.15Å; L291-A311 HydrophobicContact CD1-CB 3.86Å; A311-L314 HydrophobicContact CB-CD1 3.77Å; A311-L314 HydrophobicContact CB-CD2 4Å; A311-L314 HydrophobicContact CB-CG 3.93Å; A311-N351 CarbonylContact O-C 3.5Å; A311-N351 VanDerWaalsContact O-CA 3.32Å; A311-N351 WeakPolarHBondContact O-CA 3.32Å; A311-A352 PolarHBondContact N-O 3.43Å; A311-A352 PolarHBondContact O-N 3.44Å; A311-F354 HydrophobicContact CB-CE2 4.19Å
312R87.5Confident79.1Confident87 Ų8751.6 Ų51.633%0.32828%0.278SS..EExtended strand (participates in β ladder)trans-141.7158.6170.570-177.9-179.8-172.9-0.5111.6G289 E290 L314 N351 W419G289-R312 CarbonylContact C-O 3.41Å; G289-R312 VanDerWaalsContact CA-O 3.23Å; G289-R312 WeakPolarHBondContact CA-O 3.36Å; E290-R312 HydrophobicContact CB-CG 4.27Å; E290-R312 PolarHBondContact N-O 2.99Å; E290-R312 PolarHBondContact O-N 2.81Å; E290-R312 IonicContact OE1-NH2 2.77Å; E290-R312 PolarHBondContact OE1-NH2 2.79Å; E290-R312 IonicContact OE2-CZ 3.08Å; E290-R312 IonicContact OE2-NE 2.64Å; E290-R312 PolarHBondContact OE2-NE 2.86Å; E290-R312 IonicContact OE2-NH2 2.72Å; E290-R312 PolarHBondContact OE2-NH2 3.47Å; R312-L314 PolarHBondContact O-N 3.39Å; R312-N351 VanDerWaalsContact CA-OD1 3.27Å; R312-N351 WeakPolarHBondContact CA-OD1 3.16Å; R312-N351 WeakPolarHBondContact CB-OD1 3.48Å; R312-W419 HydrophobicContact CB-CH2 4.1Å; R312-W419 HydrophobicContact CB-CZ3 4.34Å; R312-W419 HydrophobicContact CG-CE3 4.45Å; R312-W419 HydrophobicContact CG-CH2 3.64Å; R312-W419 HydrophobicContact CG-CZ2 4.45Å; R312-W419 HydrophobicContact CG-CZ3 3.65Å
313H83.6Confident78Confident121 Ų12149.8 Ų49.856%0.5627%0.269SS*.SBendtrans56.827.6179.2-47.1140000113.8G289 E290 P350 N351G289-H313 WeakPolarHBondContact CA-O 3.48Å; G289-H313 PolarHBondContact N-O 2.89Å; E290-H313 IonicContact OE2-ND1 2.82Å; H313-P350 PolarHBondContact N-O 3.21Å; H313-N351 PolarHBondContact N-OD1 2.78Å
314L84.6Confident77.6Confident7 Ų749.9 Ų49.94%0.03727%0.268CS..PPolyproline II helixtrans-61.2138.6174.9-63175.1000109.5R288 A311 R312 P325 P350 V376 I388 L422R288-L314 WeakPolarHBondContact O-CD2 3.43Å; A311-L314 HydrophobicContact CB-CD1 3.77Å; A311-L314 HydrophobicContact CB-CD2 4Å; A311-L314 HydrophobicContact CB-CG 3.93Å; R312-L314 PolarHBondContact O-N 3.39Å; L314-P325 HydrophobicContact CD1-CB 3.67Å; L314-P325 HydrophobicContact CD1-CG 3.86Å; L314-P350 WeakPolarHBondContact CB-O 3.21Å; L314-P350 PolarHBondContact N-O 3.37Å; L314-P350 VanDerWaalsContact N-O 3.1Å; L314-P350 WeakPolarHBondContact O-CB 3.03Å; L314-V376 HydrophobicContact CD1-CG1 4.19Å; L314-V376 HydrophobicContact CD2-CG1 3.96Å; L314-I388 HydrophobicContact CD2-CG2 3.94Å; L314-L422 HydrophobicContact CD2-CD1 3.79Å
315P75.6Confident77.3Confident54 Ų5449.9 Ų49.935%0.35127%0.268SS..PPolyproline II helixtrans-60.9164.2170.628.4-36.3000110.8I388P315-I388 HydrophobicContact CG-CG2 3.67Å
316K66.1Low77.2Confident104 Ų10449.2 Ų49.245%0.45226%0.263SS..PPolyproline II helixtrans-101.8139.3179-60.3-179.8170.7-153.20108.7D318K316-D318 PolarHBondContact O-N 3.04Å
317S58.5Low77.1Confident7 Ų749.2 Ų49.25%0.04926%0.263CS..PPolyproline II helixtrans-56.2133.1164.6157.50000110V319 G321 D378 E380S317-V319 PolarHBondContact O-N 2.93Å; S317-V319 PolarHBondContact OG-N 2.96Å; S317-G321 PolarHBondContact O-N 3.47Å; S317-G321 VanDerWaalsContact O-N 3.16Å; S317-D378 WeakPolarHBondContact CB-OD2 3.47Å; S317-E380 WeakPolarHBondContact CB-OE1 3.37Å; S317-E380 PolarHBondContact OG-OE1 3.21Å
318D48.8Very low77Confident128 Ų12850.1 Ų50.168%0.68427%0.265SS*.THydrogen-bonded Turntrans-61.5-23.3-175.4-85.6-3.7000112.9R250 K316R250-D318 IonicContact NH1-OD2 2.64Å; R250-D318 PolarHBondContact NH1-OD2 2.96Å; K316-D318 PolarHBondContact O-N 3.04Å
319V44.9Very low77Confident132 Ų13250.1 Ų50.180%0.827%0.265SS*.THydrogen-bonded Turntrans-92.2-36.3-169.3-175.30000113S317S317-V319 PolarHBondContact O-N 2.93Å; S317-V319 PolarHBondContact OG-N 2.96Å
320S46.5Very low77.1Confident74 Ų7448.2 Ų48.252%0.51726%0.255SS..THydrogen-bonded Turntrans-109.2-30.1-172.8174.90000113L322S320-L322 PolarHBondContact O-N 3.15Å; S320-L322 VanDerWaalsContact O-N 3.08Å; S320-L322 PolarHBondContact OG-O 3.45Å
321G52.3Low77.2Confident28 Ų2843.8 Ų43.829%0.28924%0.236SC..SBendtrans670.1-17100000114.9S317S317-G321 PolarHBondContact O-N 3.47Å; S317-G321 VanDerWaalsContact O-N 3.16Å
322L55.3Low77.3Confident96 Ų9646.1 Ų46.150%0.50325%0.245SC..  trans-118.8118.3169.3-56.6172.9000107S320 C348S320-L322 PolarHBondContact O-N 3.15Å; S320-L322 VanDerWaalsContact O-N 3.08Å; S320-L322 PolarHBondContact OG-O 3.45Å; L322-C348 HydrophobicContact CB-CB 4.24Å; L322-C348 HydrophobicContact CD2-CB 4.22Å
323S69Low77.6Confident2 Ų244.1 Ų44.11%0.01424%0.239CC..  trans-98.4141174.744.40000111P325 C348 T349 D378S323-P325 WeakPolarHBondContact O-CD 3.49Å; S323-C348 CarbonylContact O-C 3.58Å; S323-C348 WeakPolarHBondContact O-CA 3.23Å; S323-C348 PolarHBondContact O-N 2.98Å; S323-T349 PolarHBondContact O-N 3.2Å; S323-D378 VanDerWaalsContact CA-OD2 3.23Å; S323-D378 WeakPolarHBondContact CA-OD2 3.5Å; S323-D378 WeakPolarHBondContact CB-OD2 3.49Å
324D85.1Confident77.8Confident23 Ų2341.1 Ų41.112%0.12324%0.235CC..  trans-109.165.7176.9-82.38.9000109.7V345 K346 K347 C348 D378 S379D324-V345 HydrophobicContact CB-CG1 3.84Å; D324-V345 WeakPolarHBondContact O-CG1 3.28Å; D324-K346 CarbonylContact C-O 3.45Å; D324-K346 WeakPolarHBondContact CA-O 2.87Å; D324-K347 WeakPolarHBondContact OD1-CA 3.32Å; D324-C348 PolarHBondContact OD1-N 3.04Å; D324-D378 WeakPolarHBondContact CA-OD1 3.4Å; D324-D378 PolarHBondContact N-OD1 2.95Å; D324-S379 WeakPolarHBondContact O-CB 3.39Å; D324-S379 PolarHBondContact O-N 3.12Å
325P90.7Very high77.9Confident0 Ų050.1 Ų50.10%027%0.274CS..EExtended strand (participates in β ladder)trans-67.7146.4-171.827.8-39.3000115.1L314 S323 K346 T349 A352 V376 L377 I388L314-P325 HydrophobicContact CD1-CB 3.67Å; L314-P325 HydrophobicContact CD1-CG 3.86Å; S323-P325 WeakPolarHBondContact O-CD 3.49Å; P325-K346 WeakPolarHBondContact CD-O 3.46Å; P325-K346 PolarHBondContact O-N 3.01Å; P325-T349 WeakPolarHBondContact CD-O 3.1Å; P325-T349 HydrophobicContact CG-CG2 4.5Å; P325-T349 VanDerWaalsContact CG-O 3.28Å; P325-T349 WeakPolarHBondContact CG-O 3.48Å; P325-A352 HydrophobicContact CB-CB 4.45Å; P325-A352 HydrophobicContact CG-CB 3.66Å; P325-V376 HydrophobicContact CB-CG1 4.47Å; P325-L377 CarbonylContact C-O 3.49Å; P325-L377 VanDerWaalsContact CA-O 3.27Å; P325-L377 WeakPolarHBondContact CA-O 3.12Å; P325-I388 HydrophobicContact CB-CD1 4.31Å
326Y94.4Very high78.8Confident14 Ų1454.9 Ų54.96%0.05529%0.289CS..EExtended strand (participates in β ladder)trans-145.8157.5165.573.2-71.6000111.2K328 K342 V345 L377 N385Y326-K328 HydrophobicContact CD2-CG 4.44Å; Y326-K328 HydrophobicContact CE2-CD 4.33Å; Y326-K328 VanDerWaalsContact CE2-CE 3.46Å; Y326-K328 HydrophobicContact CE2-CG 3.91Å; Y326-K328 WeakPolarHBondContact OH-CE 3.41Å; Y326-K328 PolarHBondContact OH-NZ 3.4Å; Y326-K342 HydrophobicContact CD2-CB 4.47Å; Y326-V345 HydrophobicContact CD1-CG2 4.22Å; Y326-V345 HydrophobicContact CG-CG2 4.15Å; Y326-L377 HydrophobicContact CD1-CB 4.17Å; Y326-L377 WeakPolarHBondContact CD1-O 3.3Å; Y326-L377 HydrophobicContact CE1-CB 3.65Å; Y326-L377 HydrophobicContact CE2-CD1 4.43Å; Y326-L377 PolarHBondContact N-O 2.87Å; Y326-L377 PolarHBondContact O-N 3.17Å; Y326-N385 PolarHBondContact OH-ND2 2.99Å
327V96.6Very high80.1Confident0 Ų056 Ų560%029%0.291CS..EExtended strand (participates in β ladder)trans-111129.2-178.7-168.70000110L291 V308 V329 K342 T343 F354 F374 L375 V376L291-V327 HydrophobicContact CD1-CG2 4.2Å; L291-V327 HydrophobicContact CD2-CG1 4.33Å; V308-V327 HydrophobicContact CG1-CB 4.2Å; V308-V327 HydrophobicContact CG1-CG1 4.5Å; V308-V327 HydrophobicContact CG1-CG2 3.89Å; V327-V329 HydrophobicContact CG1-CG2 4.41Å; V327-K342 CarbonylContact O-C 3.55Å; V327-K342 VanDerWaalsContact O-CA 3.24Å; V327-K342 WeakPolarHBondContact O-CA 3.44Å; V327-T343 HydrophobicContact CB-CG2 3.94Å; V327-T343 HydrophobicContact CG2-CG2 4.44Å; V327-T343 PolarHBondContact N-OG1 2.86Å; V327-T343 PolarHBondContact O-N 3.26Å; V327-F354 HydrophobicContact CG2-CD2 4.21Å; V327-F354 HydrophobicContact CG2-CE1 4.33Å; V327-F354 HydrophobicContact CG2-CE2 3.7Å; V327-F354 HydrophobicContact CG2-CZ 3.78Å; V327-F374 HydrophobicContact CG1-CB 3.99Å; V327-F374 HydrophobicContact CG1-CD1 4.17Å; V327-L375 CarbonylContact C-O 3.56Å; V327-L375 WeakPolarHBondContact CA-O 3.48Å; V327-V376 HydrophobicContact CG2-CG2 4.15Å
328K97.1Very high81.8Confident38 Ų3859.2 Ų59.217%0.16531%0.306CS..EExtended strand (participates in β ladder)trans-94.9127.9164.3-66.2171.5-171145.90108.2Y326 K341 K342 F374 L375 L377Y326-K328 HydrophobicContact CD2-CG 4.44Å; Y326-K328 HydrophobicContact CE2-CD 4.33Å; Y326-K328 VanDerWaalsContact CE2-CE 3.46Å; Y326-K328 HydrophobicContact CE2-CG 3.91Å; Y326-K328 WeakPolarHBondContact OH-CE 3.41Å; Y326-K328 PolarHBondContact OH-NZ 3.4Å; K328-K341 WeakPolarHBondContact CA-O 3.31Å; K328-K342 HydrophobicContact CG-CB 4.3Å; K328-F374 WeakPolarHBondContact O-CA 3.08Å; K328-L375 HydrophobicContact CB-CB 4.4Å; K328-L375 PolarHBondContact N-O 3.28Å; K328-L375 PolarHBondContact O-N 2.88Å; K328-L377 HydrophobicContact CB-CD1 4.29Å; K328-L377 HydrophobicContact CD-CD1 3.56Å; K328-L377 HydrophobicContact CG-CD1 3.8Å
329V97.9Very high84.1Confident0 Ų054.9 Ų54.90%029%0.286CS..EExtended strand (participates in β ladder)trans-107.1111.9176.2-1720000107.6V306 V308 V327 K340 K341 F358 F360 V372 E373 F374V306-V329 HydrophobicContact CG1-CG1 4.36Å; V308-V329 HydrophobicContact CG2-CG2 3.79Å; V327-V329 HydrophobicContact CG1-CG2 4.41Å; V329-K340 CarbonylContact O-C 3.57Å; V329-K340 WeakPolarHBondContact O-CA 3.12Å; V329-K341 PolarHBondContact N-O 3.12Å; V329-K341 PolarHBondContact O-N 3.2Å; V329-F358 HydrophobicContact CB-CD2 4.48Å; V329-F358 HydrophobicContact CG2-CD2 3.86Å; V329-F358 HydrophobicContact CG2-CE2 3.84Å; V329-F360 HydrophobicContact CB-CZ 4.3Å; V329-F360 HydrophobicContact CG1-CE2 3.96Å; V329-F360 HydrophobicContact CG1-CZ 3.81Å; V329-V372 HydrophobicContact CG1-CG1 3.61Å; V329-E373 CarbonylContact C-O 3.52Å; V329-E373 WeakPolarHBondContact CA-O 3.4Å; V329-F374 HydrophobicContact CG1-CD1 4.3Å; V329-F374 HydrophobicContact CG1-CE1 4.03Å; V329-F374 HydrophobicContact CG2-CD1 3.87Å; V329-F374 HydrophobicContact CG2-CE1 4.04Å
330N97.3Very high86.5Confident2 Ų253.9 Ų53.91%0.01127%0.271CS..EExtended strand (participates in β ladder)trans-107.4126.6178.9-57.9-48.1000109Y332 R337 S339 K340 V372 E373N330-Y332 HydrophobicContact CB-CD2 4.17Å; N330-Y332 HydrophobicContact CB-CE2 3.52Å; N330-R337 HydrophobicContact CB-CG 4.22Å; N330-S339 WeakPolarHBondContact CA-O 3.5Å; N330-K340 WeakPolarHBondContact OD1-CD 3.38Å; N330-K340 VanDerWaalsContact OD1-CG 3.29Å; N330-K340 WeakPolarHBondContact OD1-CG 3.19Å; N330-V372 WeakPolarHBondContact O-CA 3.27Å; N330-E373 HydrophobicContact CB-CB 4.31Å; N330-E373 PolarHBondContact N-O 3.36Å; N330-E373 PolarHBondContact ND2-OE2 3.42Å; N330-E373 PolarHBondContact O-N 3.19Å
331L96.4Very high89Confident1 Ų154.2 Ų54.21%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-97.7132.2172.4-176.270.6000109.4L304 R337 I338 S339 F360 I362 I370 V372L304-L331 HydrophobicContact CD2-CD1 4.47Å; L331-R337 CarbonylContact O-C 3.6Å; L331-R337 WeakPolarHBondContact O-CA 3.32Å; L331-R337 WeakPolarHBondContact O-CG 3.2Å; L331-I338 HydrophobicContact CB-CG1 4.23Å; L331-I338 HydrophobicContact CD2-CD1 3.61Å; L331-I338 HydrophobicContact CD2-CG1 3.9Å; L331-I338 HydrophobicContact CG-CD1 3.93Å; L331-I338 HydrophobicContact CG-CG1 3.86Å; L331-I338 WeakPolarHBondContact O-CG1 3.21Å; L331-I338 PolarHBondContact O-N 2.81Å; L331-S339 PolarHBondContact N-O 2.98Å; L331-S339 PolarHBondContact O-N 2.75Å; L331-F360 HydrophobicContact CB-CD1 4.14Å; L331-F360 HydrophobicContact CB-CE1 4.27Å; L331-F360 HydrophobicContact CD2-CB 3.79Å; L331-F360 HydrophobicContact CD2-CD1 4.01Å; L331-F360 HydrophobicContact CD2-CG 4.08Å; L331-I362 HydrophobicContact CD1-CD1 4.24Å; L331-I362 HydrophobicContact CD2-CD1 3.95Å; L331-I370 HydrophobicContact CD1-CG2 3.8Å; L331-V372 HydrophobicContact CD1-CG2 3.8Å
332Y94.8Very high91.1Very high50 Ų5059.6 Ų59.620%0.19628%0.279CS..EExtended strand (participates in β ladder)trans-119.7144178.9-72.6-101.2000110.8N330 K335 K336 R337 I370 S371 E373N330-Y332 HydrophobicContact CB-CD2 4.17Å; N330-Y332 HydrophobicContact CB-CE2 3.52Å; Y332-K335 WeakPolarHBondContact CD1-O 3.34Å; Y332-K336 VanDerWaalsContact CA-O 3.3Å; Y332-K336 WeakPolarHBondContact CA-O 3.44Å; Y332-R337 HydrophobicContact CD1-CB 3.93Å; Y332-R337 HydrophobicContact CD2-CG 4.5Å; Y332-R337 HydrophobicContact CE1-CB 3.6Å; Y332-R337 HydrophobicContact CE1-CG 4.33Å; Y332-R337 HydrophobicContact CE2-CB 4.33Å; Y332-R337 HydrophobicContact CE2-CG 4.16Å; Y332-R337 HydrophobicContact CG-CB 4.42Å; Y332-I370 WeakPolarHBondContact O-CA 3.08Å; Y332-S371 PolarHBondContact N-O 3.21Å; Y332-S371 PolarHBondContact O-N 3.38Å; Y332-E373 HydrophobicContact CD2-CB 4.38Å; Y332-E373 HydrophobicContact CE2-CB 4.05Å
333H93.4Very high93.1Very high45 Ų4555.2 Ų55.221%0.20826%0.256CS..EExtended strand (participates in β ladder)trans-132.6128.8169.7177.4-105.5000107.7K335 K336 I338 P363 E369 I370H333-K335 PolarHBondContact O-N 2.87Å; H333-K336 PolarHBondContact N-O 2.49Å; H333-K336 WeakPolarHBondContact O-CB 3.25Å; H333-K336 PolarHBondContact O-N 2.91Å; H333-I338 HydrophobicContact CB-CD1 3.86Å; H333-I338 HydrophobicContact CB-CG1 4.29Å; H333-I338 HydrophobicContact CB-CG2 4.03Å; H333-P363 HydrophobicContact CB-CG 4.37Å; H333-E369 WeakPolarHBondContact CA-O 3.31Å; H333-E369 IonicContact CE1-OE2 3.98Å; H333-E369 IonicContact NE2-OE2 3.46Å; H333-I370 HydrophobicContact CB-CD1 3.91Å; H333-I370 VanDerWaalsContact CD2-CD1 3.49Å; H333-I370 WeakPolarHBondContact CD2-CD1 3.41Å
334A89.1Confident94.3Very high58 Ų5861.6 Ų61.648%0.47929%0.285SS..THydrogen-bonded Turntrans47.944.1-176.500000113.3K336 E369A334-K336 PolarHBondContact O-N 3.06Å; A334-E369 PolarHBondContact N-O 2.87Å; A334-E369 VanDerWaalsContact N-O 3.07Å
335K86.9Confident94.5Very high196 Ų19663.2 Ų63.285%0.85230%0.296SS*.THydrogen-bonded Turntrans62.9-0.1-174.5-52.5175.6-176.5174.80116.2Y332 H333Y332-K335 WeakPolarHBondContact CD1-O 3.34Å; H333-K335 PolarHBondContact O-N 2.87Å
336K92.6Very high94.4Very high155 Ų15565.8 Ų65.867%0.67431%0.307SS*.EExtended strand (participates in β ladder)trans-90.9128.8172.4-175178.3179.5-1790110.3Y332 H333 A334 I338Y332-K336 VanDerWaalsContact CA-O 3.3Å; Y332-K336 WeakPolarHBondContact CA-O 3.44Å; H333-K336 PolarHBondContact N-O 2.49Å; H333-K336 WeakPolarHBondContact O-CB 3.25Å; H333-K336 PolarHBondContact O-N 2.91Å; A334-K336 PolarHBondContact O-N 3.06Å; K336-I338 PolarHBondContact O-N 3.2Å
337R95.1Very high93.7Very high128 Ų12871.8 Ų71.848%0.48333%0.333SS..EExtended strand (participates in β ladder)trans-70.8117.5174.4-168.9178.663.5-145.4-8.4109.8N330 L331 Y332 S339N330-R337 HydrophobicContact CB-CG 4.22Å; L331-R337 CarbonylContact O-C 3.6Å; L331-R337 WeakPolarHBondContact O-CA 3.32Å; L331-R337 WeakPolarHBondContact O-CG 3.2Å; Y332-R337 HydrophobicContact CD1-CB 3.93Å; Y332-R337 HydrophobicContact CD2-CG 4.5Å; Y332-R337 HydrophobicContact CE1-CB 3.6Å; Y332-R337 HydrophobicContact CE1-CG 4.33Å; Y332-R337 HydrophobicContact CE2-CB 4.33Å; Y332-R337 HydrophobicContact CE2-CG 4.16Å; Y332-R337 HydrophobicContact CG-CB 4.42Å; R337-S339 WeakPolarHBondContact CG-O 2.86Å
338I94.4Very high92.6Very high73 Ų7375.1 Ų75.137%0.37436%0.356SS..EExtended strand (participates in β ladder)trans-102.3-27.2-178.855.8164.6000113.3L331 H333 K336 P363L331-I338 HydrophobicContact CB-CG1 4.23Å; L331-I338 HydrophobicContact CD2-CD1 3.61Å; L331-I338 HydrophobicContact CD2-CG1 3.9Å; L331-I338 HydrophobicContact CG-CD1 3.93Å; L331-I338 HydrophobicContact CG-CG1 3.86Å; L331-I338 WeakPolarHBondContact O-CG1 3.21Å; L331-I338 PolarHBondContact O-N 2.81Å; H333-I338 HydrophobicContact CB-CD1 3.86Å; H333-I338 HydrophobicContact CB-CG1 4.29Å; H333-I338 HydrophobicContact CB-CG2 4.03Å; K336-I338 PolarHBondContact O-N 3.2Å; I338-P363 HydrophobicContact CD1-CG 4.05Å
339S95.7Very high91.6Very high37 Ų3775 Ų7526%0.25936%0.358SS..EExtended strand (participates in β ladder)trans-143.4157.9175.8-161.70000112.1N330 L331 R337N330-S339 WeakPolarHBondContact CA-O 3.5Å; L331-S339 PolarHBondContact N-O 2.98Å; L331-S339 PolarHBondContact O-N 2.75Å; R337-S339 WeakPolarHBondContact CG-O 2.86Å
340K96.6Very high90.6Very high112 Ų11277.1 Ų77.149%0.48737%0.372SS..EExtended strand (participates in β ladder)trans-150.3120.6179174.2171.7178.1-1730110.2V329 N330V329-K340 CarbonylContact O-C 3.57Å; V329-K340 WeakPolarHBondContact O-CA 3.12Å; N330-K340 WeakPolarHBondContact OD1-CD 3.38Å; N330-K340 VanDerWaalsContact OD1-CG 3.29Å; N330-K340 WeakPolarHBondContact OD1-CG 3.19Å
341K97.4Very high90Very high80 Ų8081.1 Ų81.135%0.34839%0.393SS..EExtended strand (participates in β ladder)trans-123.5166.8173.3-61.8-174.2179.6-175.90109.3K328 V329 F358 V359 F360K328-K341 WeakPolarHBondContact CA-O 3.31Å; V329-K341 PolarHBondContact N-O 3.12Å; V329-K341 PolarHBondContact O-N 3.2Å; K341-F358 HydrophobicContact CB-CD1 3.65Å; K341-F358 HydrophobicContact CB-CE1 3.89Å; K341-F358 HydrophobicContact CB-CG 4.15Å; K341-F358 HydrophobicContact CD-CB 4.04Å; K341-F358 HydrophobicContact CD-CD1 3.73Å; K341-F358 HydrophobicContact CD-CG 4.21Å; K341-F358 HydrophobicContact CG-CD1 4.26Å; K341-V359 PolarHBondContact NZ-O 3.42Å; K341-F360 HydrophobicContact CB-CE1 4.49Å; K341-F360 HydrophobicContact CB-CZ 4.23Å; K341-F360 HydrophobicContact CD-CD1 4.49Å; K341-F360 HydrophobicContact CD-CE1 3.8Å; K341-F360 HydrophobicContact CD-CZ 3.91Å; K341-F360 HydrophobicContact CG-CE1 3.88Å; K341-F360 HydrophobicContact CG-CZ 4.06Å
342K96.6Very high89.6Confident141 Ų14181 Ų8161%0.61339%0.393SS*.EExtended strand (participates in β ladder)trans-143.8149.3177.366.9174.6-175.5172.80110.4Y326 V327 K328 F358Y326-K342 HydrophobicContact CD2-CB 4.47Å; V327-K342 CarbonylContact O-C 3.55Å; V327-K342 VanDerWaalsContact O-CA 3.24Å; V327-K342 WeakPolarHBondContact O-CA 3.44Å; K328-K342 HydrophobicContact CG-CB 4.3Å; K342-F358 WeakPolarHBondContact O-CZ 3.47Å
343T97.3Very high89.5Confident5 Ų582.1 Ų82.13%0.03141%0.405CS..PPolyproline II helixtrans-75.6170.1170.1680000111.3V308 V327 F354 E356 F358V308-T343 HydrophobicContact CB-CG2 4.03Å; V308-T343 HydrophobicContact CG1-CG2 4.05Å; V308-T343 HydrophobicContact CG2-CG2 4.26Å; V327-T343 HydrophobicContact CB-CG2 3.94Å; V327-T343 HydrophobicContact CG2-CG2 4.44Å; V327-T343 PolarHBondContact N-OG1 2.86Å; V327-T343 PolarHBondContact O-N 3.26Å; T343-F354 HydrophobicContact CG2-CB 4.21Å; T343-F354 HydrophobicContact CG2-CD1 3.94Å; T343-F354 HydrophobicContact CG2-CG 4.12Å; T343-F354 WeakPolarHBondContact OG1-CD1 3.25Å; T343-F354 WeakPolarHBondContact OG1-CE1 3.43Å; T343-E356 WeakPolarHBondContact CA-OE2 3.47Å; T343-E356 WeakPolarHBondContact CB-OE1 3.41Å; T343-E356 HydrophobicContact CG2-CB 4.29Å; T343-F358 HydrophobicContact CG2-CE2 3.94Å; T343-F358 HydrophobicContact CG2-CZ 3.96Å
344H93.9Very high89.6Confident136 Ų13680.4 Ų80.463%0.6340%0.397SS*.PPolyproline II helixtrans-66.2153.9160.8-64.672.9000110.5E356H344-E356 WeakPolarHBondContact CB-OE1 3.33Å; H344-E356 IonicContact CE1-OE2 3.52Å; H344-E356 IonicContact CG-OE1 3.15Å; H344-E356 IonicContact CG-OE2 3.84Å; H344-E356 VanDerWaalsContact N-CD 3.35Å; H344-E356 PolarHBondContact N-OE1 2.93Å; H344-E356 PolarHBondContact N-OE2 3.15Å; H344-E356 IonicContact ND1-OE1 3.82Å; H344-E356 IonicContact ND1-OE2 2.71Å; H344-E356 PolarHBondContact ND1-OE2 2.76Å
345V90.9Very high89.9Confident56 Ų5682.7 Ų82.734%0.33940%0.401SS..PPolyproline II helixtrans-77.4128174.1178.40000109.3D324 Y326D324-V345 HydrophobicContact CB-CG1 3.84Å; D324-V345 WeakPolarHBondContact O-CG1 3.28Å; Y326-V345 HydrophobicContact CD1-CG2 4.22Å; Y326-V345 HydrophobicContact CG-CG2 4.15Å
346K88.1Confident90.4Very high54 Ų5474.6 Ų74.624%0.23537%0.366CS..PPolyproline II helixtrans-103.6116.7175.2-54.5-64.7166.1143.90107.4D324 P325 T349 A352 V353 F354 E356D324-K346 CarbonylContact C-O 3.45Å; D324-K346 WeakPolarHBondContact CA-O 2.87Å; P325-K346 WeakPolarHBondContact CD-O 3.46Å; P325-K346 PolarHBondContact O-N 3.01Å; K346-T349 HydrophobicContact CB-CG2 3.98Å; K346-A352 HydrophobicContact CB-CB 4.01Å; K346-A352 HydrophobicContact CG-CB 4.2Å; K346-V353 VanDerWaalsContact CD-O 3.29Å; K346-V353 WeakPolarHBondContact CD-O 3.46Å; K346-V353 WeakPolarHBondContact CE-O 3.39Å; K346-V353 PolarHBondContact NZ-O 2.56Å; K346-F354 HydrophobicContact CB-CE1 4.4Å; K346-F354 HydrophobicContact CD-CD1 4.42Å; K346-F354 HydrophobicContact CG-CD1 3.71Å; K346-F354 HydrophobicContact CG-CE1 3.53Å; K346-F354 HydrophobicContact CG-CZ 4.34Å; K346-F354 PolarHBondContact NZ-O 3.12Å; K346-E356 IonicContact NZ-OE1 3.67Å
347K80.2Confident90.7Very high140 Ų14072.1 Ų72.161%0.60936%0.36SS*.THydrogen-bonded Turntrans-80.2145.2-169.9-63.6-179178.3170.80112.9D324 T349D324-K347 WeakPolarHBondContact OD1-CA 3.32Å; K347-T349 VanDerWaalsContact C-N 3.31Å; K347-T349 PolarHBondContact O-N 2.84Å
348C73.1Confident90.8Very high70 Ų7067 Ų6747%0.47334%0.341SS..THydrogen-bonded Turntrans51.538.7167-56.70000115.1L322 S323 D324L322-C348 HydrophobicContact CB-CB 4.24Å; L322-C348 HydrophobicContact CD2-CB 4.22Å; S323-C348 CarbonylContact O-C 3.58Å; S323-C348 WeakPolarHBondContact O-CA 3.23Å; S323-C348 PolarHBondContact O-N 2.98Å; D324-C348 PolarHBondContact OD1-N 3.04Å
349T75.4Confident90.9Very high36 Ų3666.2 Ų66.222%0.22134%0.34CS..  trans-140.5126-174.9-178.60000114.7S323 P325 K346 K347 N351 A352S323-T349 PolarHBondContact O-N 3.2Å; P325-T349 WeakPolarHBondContact CD-O 3.1Å; P325-T349 HydrophobicContact CG-CG2 4.5Å; P325-T349 VanDerWaalsContact CG-O 3.28Å; P325-T349 WeakPolarHBondContact CG-O 3.48Å; K346-T349 HydrophobicContact CB-CG2 3.98Å; K347-T349 VanDerWaalsContact C-N 3.31Å; K347-T349 PolarHBondContact O-N 2.84Å; T349-N351 PolarHBondContact O-N 2.83Å; T349-N351 VanDerWaalsContact OG1-C 3.32Å; T349-N351 PolarHBondContact OG1-N 3.22Å; T349-N351 VanDerWaalsContact OG1-N 3.11Å; T349-N351 PolarHBondContact OG1-O 3.28Å; T349-A352 HydrophobicContact CG2-CB 4.05Å
350P76.8Confident90.9Very high44 Ų4464.7 Ų64.729%0.28633%0.328SS..SBendtrans-80.3-5.9170.135-36.1000113.1H313 L314H313-P350 PolarHBondContact N-O 3.21Å; L314-P350 WeakPolarHBondContact CB-O 3.21Å; L314-P350 PolarHBondContact N-O 3.37Å; L314-P350 VanDerWaalsContact N-O 3.1Å; L314-P350 WeakPolarHBondContact O-CB 3.03Å
351N84.4Confident90.8Very high86 Ų8665.3 Ų65.346%0.4634%0.337SS..SBendtrans-125.768.5-178.6-64.4-37.9000108.8A311 R312 H313 T349A311-N351 CarbonylContact O-C 3.5Å; A311-N351 VanDerWaalsContact O-CA 3.32Å; A311-N351 WeakPolarHBondContact O-CA 3.32Å; R312-N351 VanDerWaalsContact CA-OD1 3.27Å; R312-N351 WeakPolarHBondContact CA-OD1 3.16Å; R312-N351 WeakPolarHBondContact CB-OD1 3.48Å; H313-N351 PolarHBondContact N-OD1 2.78Å; T349-N351 PolarHBondContact O-N 2.83Å; T349-N351 VanDerWaalsContact OG1-C 3.32Å; T349-N351 PolarHBondContact OG1-N 3.22Å; T349-N351 VanDerWaalsContact OG1-N 3.11Å; T349-N351 PolarHBondContact OG1-O 3.28Å
352A88.6Confident90.6Very high0 Ų062 Ų620%032%0.323CS..  trans-75.9130.1-172.800000112.3K310 A311 P325 K346 T349 F354K310-A352 CarbonylContact C-O 3.54Å; K310-A352 WeakPolarHBondContact CA-O 3.1Å; K310-A352 VanDerWaalsContact CB-O 3.3Å; K310-A352 WeakPolarHBondContact CB-O 3.44Å; A311-A352 PolarHBondContact N-O 3.43Å; A311-A352 PolarHBondContact O-N 3.44Å; P325-A352 HydrophobicContact CB-CB 4.45Å; P325-A352 HydrophobicContact CG-CB 3.66Å; K346-A352 HydrophobicContact CB-CB 4.01Å; K346-A352 HydrophobicContact CG-CB 4.2Å; T349-A352 HydrophobicContact CG2-CB 4.05Å; A352-F354 HydrophobicContact CB-CD2 4.47Å; A352-F354 HydrophobicContact CB-CE1 4.16Å; A352-F354 HydrophobicContact CB-CE2 3.63Å; A352-F354 HydrophobicContact CB-CZ 3.45Å; A352-F354 VanDerWaalsContact CB-CZ 3.45Å
353V93Very high90Very high73 Ų7359.4 Ų59.444%0.44232%0.321SS..EExtended strand (participates in β ladder)trans-104.6115.9171.2-178.60000109K310 K346K310-V353 HydrophobicContact CB-CB 4.46Å; K310-V353 HydrophobicContact CB-CG2 4.11Å; K346-V353 VanDerWaalsContact CD-O 3.29Å; K346-V353 WeakPolarHBondContact CD-O 3.46Å; K346-V353 WeakPolarHBondContact CE-O 3.39Å; K346-V353 PolarHBondContact NZ-O 2.56Å
354F95.8Very high89Confident8 Ų861.8 Ų61.84%0.03534%0.337CS..EExtended strand (participates in β ladder)trans-93.4-62.4-179-58.9-75.2000110.2V308 L309 A311 V327 T343 K346 A352 E356V308-F354 HydrophobicContact CB-CB 4.41Å; V308-F354 HydrophobicContact CG1-CB 4.01Å; V308-F354 HydrophobicContact CG1-CD2 3.7Å; V308-F354 HydrophobicContact CG1-CE2 4.47Å; V308-F354 HydrophobicContact CG1-CG 3.99Å; V308-F354 WeakPolarHBondContact O-CB 3.41Å; L309-F354 PolarHBondContact O-N 2.93Å; A311-F354 HydrophobicContact CB-CE2 4.19Å; V327-F354 HydrophobicContact CG2-CD2 4.21Å; V327-F354 HydrophobicContact CG2-CE1 4.33Å; V327-F354 HydrophobicContact CG2-CE2 3.7Å; V327-F354 HydrophobicContact CG2-CZ 3.78Å; T343-F354 HydrophobicContact CG2-CB 4.21Å; T343-F354 HydrophobicContact CG2-CD1 3.94Å; T343-F354 HydrophobicContact CG2-CG 4.12Å; T343-F354 WeakPolarHBondContact OG1-CD1 3.25Å; T343-F354 WeakPolarHBondContact OG1-CE1 3.43Å; K346-F354 HydrophobicContact CB-CE1 4.4Å; K346-F354 HydrophobicContact CD-CD1 4.42Å; K346-F354 HydrophobicContact CG-CD1 3.71Å; K346-F354 HydrophobicContact CG-CE1 3.53Å; K346-F354 HydrophobicContact CG-CZ 4.34Å; K346-F354 PolarHBondContact NZ-O 3.12Å; A352-F354 HydrophobicContact CB-CD2 4.47Å; A352-F354 HydrophobicContact CB-CE1 4.16Å; A352-F354 HydrophobicContact CB-CE2 3.63Å; A352-F354 HydrophobicContact CB-CZ 3.45Å; A352-F354 VanDerWaalsContact CB-CZ 3.45Å; F354-E356 VanDerWaalsContact C-N 3.3Å
355N95.2Very high88Confident106 Ų10662.8 Ų62.857%0.56734%0.342SS*.EExtended strand (participates in β ladder)trans53.444.1-171-62.9-18.9000112.6V308 L309V308-N355 WeakPolarHBondContact O-CA 3.34Å; V308-N355 PolarHBondContact O-N 2.75Å; L309-N355 PolarHBondContact O-N 2.64Å; L309-N355 PolarHBondContact O-OD1 2.75Å
356E97.8Very high87.4Confident26 Ų2662.2 Ų62.212%0.12134%0.34CS..EExtended strand (participates in β ladder)trans-111.9128.3-174.8-70.2176.8-119.400110.9V307 V308 T343 H344 K346 F354 F358V307-E356 WeakPolarHBondContact CA-O 3.49Å; V308-E356 PolarHBondContact N-O 3.4Å; V308-E356 PolarHBondContact O-N 3.16Å; T343-E356 WeakPolarHBondContact CA-OE2 3.47Å; T343-E356 WeakPolarHBondContact CB-OE1 3.41Å; T343-E356 HydrophobicContact CG2-CB 4.29Å; H344-E356 WeakPolarHBondContact CB-OE1 3.33Å; H344-E356 IonicContact CE1-OE2 3.52Å; H344-E356 IonicContact CG-OE1 3.15Å; H344-E356 IonicContact CG-OE2 3.84Å; H344-E356 VanDerWaalsContact N-CD 3.35Å; H344-E356 PolarHBondContact N-OE1 2.93Å; H344-E356 PolarHBondContact N-OE2 3.15Å; H344-E356 IonicContact ND1-OE1 3.82Å; H344-E356 IonicContact ND1-OE2 2.71Å; H344-E356 PolarHBondContact ND1-OE2 2.76Å; K346-E356 IonicContact NZ-OE1 3.67Å; F354-E356 VanDerWaalsContact C-N 3.3Å; E356-F358 HydrophobicContact CB-CE2 4.32Å; E356-F358 HydrophobicContact CB-CZ 4.12Å
357L97.5Very high87.4Confident104 Ų10460.3 Ų60.355%0.54533%0.332SS..EExtended strand (participates in β ladder)trans-102.1134.5-175.3-178.6151.6000110.8T305 V307 V359T305-L357 HydrophobicContact CG2-CD1 3.82Å; T305-L357 HydrophobicContact CG2-CD2 4.3Å; T305-L357 HydrophobicContact CG2-CG 3.94Å; V307-L357 HydrophobicContact CG2-CB 4.23Å; V307-L357 HydrophobicContact CG2-CD1 3.95Å; V307-L357 HydrophobicContact CG2-CG 4.06Å; L357-V359 HydrophobicContact CD2-CG2 3.68Å
358F97.7Very high87.7Confident20 Ų2060.6 Ų60.69%0.08834%0.336CS..EExtended strand (participates in β ladder)trans-128.5113178.1-57.2-63.2000109.5V306 V308 V329 K341 K342 T343 E356 F360V306-F358 PolarHBondContact N-O 3.37Å; V306-F358 PolarHBondContact O-N 2.55Å; V308-F358 HydrophobicContact CG2-CD2 4.2Å; V308-F358 HydrophobicContact CG2-CE2 3.88Å; V329-F358 HydrophobicContact CB-CD2 4.48Å; V329-F358 HydrophobicContact CG2-CD2 3.86Å; V329-F358 HydrophobicContact CG2-CE2 3.84Å; K341-F358 HydrophobicContact CB-CD1 3.65Å; K341-F358 HydrophobicContact CB-CE1 3.89Å; K341-F358 HydrophobicContact CB-CG 4.15Å; K341-F358 HydrophobicContact CD-CB 4.04Å; K341-F358 HydrophobicContact CD-CD1 3.73Å; K341-F358 HydrophobicContact CD-CG 4.21Å; K341-F358 HydrophobicContact CG-CD1 4.26Å; K342-F358 WeakPolarHBondContact O-CZ 3.47Å; T343-F358 HydrophobicContact CG2-CE2 3.94Å; T343-F358 HydrophobicContact CG2-CZ 3.96Å; E356-F358 HydrophobicContact CB-CE2 4.32Å; E356-F358 HydrophobicContact CB-CZ 4.12Å; F358-F360 HydrophobicContact CB-CD2 4.36Å; F358-F360 HydrophobicContact CB-CE2 3.6Å; F358-F360 HydrophobicContact CB-CZ 4.01Å
359V96.8Very high88.5Confident57 Ų5762.7 Ų62.735%0.34534%0.339SS..EExtended strand (participates in β ladder)trans-85.3139.2167.5-172.30000108.9T303 K341 L357T303-V359 HydrophobicContact CG2-CG1 4.23Å; K341-V359 PolarHBondContact NZ-O 3.42Å; L357-V359 HydrophobicContact CD2-CG2 3.68Å
360F95.9Very high89.4Confident4 Ų461 Ų612%0.01833%0.328CS..EExtended strand (participates in β ladder)trans-130.5137.9171.7-61.4-88.4000110.7T303 L304 V306 V329 L331 K341 F358T303-F360 CarbonylContact C-O 3.59Å; T303-F360 WeakPolarHBondContact CA-O 3.23Å; L304-F360 PolarHBondContact N-O 2.95Å; L304-F360 PolarHBondContact O-N 3.02Å; V306-F360 HydrophobicContact CB-CE2 4.19Å; V306-F360 HydrophobicContact CG2-CD2 4.04Å; V306-F360 HydrophobicContact CG2-CE2 4.02Å; V329-F360 HydrophobicContact CB-CZ 4.3Å; V329-F360 HydrophobicContact CG1-CE2 3.96Å; V329-F360 HydrophobicContact CG1-CZ 3.81Å; L331-F360 HydrophobicContact CB-CD1 4.14Å; L331-F360 HydrophobicContact CB-CE1 4.27Å; L331-F360 HydrophobicContact CD2-CB 3.79Å; L331-F360 HydrophobicContact CD2-CD1 4.01Å; L331-F360 HydrophobicContact CD2-CG 4.08Å; K341-F360 HydrophobicContact CB-CE1 4.49Å; K341-F360 HydrophobicContact CB-CZ 4.23Å; K341-F360 HydrophobicContact CD-CD1 4.49Å; K341-F360 HydrophobicContact CD-CE1 3.8Å; K341-F360 HydrophobicContact CD-CZ 3.91Å; K341-F360 HydrophobicContact CG-CE1 3.88Å; K341-F360 HydrophobicContact CG-CZ 4.06Å; F358-F360 HydrophobicContact CB-CD2 4.36Å; F358-F360 HydrophobicContact CB-CE2 3.6Å; F358-F360 HydrophobicContact CB-CZ 4.01Å
361D94.1Very high90.3Very high126 Ų12660 Ų6067%0.67432%0.323SS*.EExtended strand (participates in β ladder)trans-85.7129172.2-43.8-57.2000108.7
362I92.9Very high90.9Very high11 Ų1156 Ų566%0.05630%0.301CS..  trans-97.5126.9-177-55-54.1000108.5Y297 N302 L304 L331 C364 L367 I370Y297-I362 HydrophobicContact CE2-CG1 4.42Å; N302-I362 HydrophobicContact CB-CB 4.46Å; N302-I362 VanDerWaalsContact O-CB 3.28Å; N302-I362 WeakPolarHBondContact O-CB 3.41Å; N302-I362 WeakPolarHBondContact O-CG1 2.96Å; N302-I362 PolarHBondContact O-N 2.84Å; L304-I362 HydrophobicContact CB-CD1 3.76Å; L304-I362 HydrophobicContact CB-CG1 3.96Å; L304-I362 HydrophobicContact CD2-CD1 4.35Å; L331-I362 HydrophobicContact CD1-CD1 4.24Å; L331-I362 HydrophobicContact CD2-CD1 3.95Å; I362-C364 VanDerWaalsContact CG2-O 3.27Å; I362-C364 WeakPolarHBondContact CG2-O 3.4Å; I362-C364 PolarHBondContact O-N 3.44Å; I362-L367 HydrophobicContact CG1-CD2 4.5Å; I362-L367 HydrophobicContact CG2-CD2 4.26Å; I362-I370 HydrophobicContact CD1-CG2 4.31Å; I362-I370 HydrophobicContact CG2-CD1 3.71Å; I362-I370 HydrophobicContact CG2-CG1 3.76Å
363P85.8Confident91.3Very high86 Ų8656.7 Ų56.756%0.55830%0.304SS*.SBendtrans-76.9-3.6-172.931.9-38000114.8H333 I338H333-P363 HydrophobicContact CB-CG 4.37Å; I338-P363 HydrophobicContact CD1-CG 4.05Å
364C76.1Confident91.5Very high54 Ų5453.2 Ų53.237%0.36528%0.283SS..SBendtrans-141.5152.7-176.6-1720000109.4I362 S366I362-C364 VanDerWaalsContact CG2-O 3.27Å; I362-C364 WeakPolarHBondContact CG2-O 3.4Å; I362-C364 PolarHBondContact O-N 3.44Å; C364-S366 VanDerWaalsContact C-N 3.27Å; C364-S366 PolarHBondContact O-N 2.9Å
365E72.4Confident91.5Very high158 Ų15854.3 Ų54.374%0.73829%0.289SS*.SBendtrans-72.4-22.1176-59.3-172.8164.600112.5Y297Y297-E365 PolarHBondContact OH-O 2.89Å; Y297-E365 VanDerWaalsContact OH-O 3.05Å
366S78.9Confident91.4Very high44 Ų4449.2 Ų49.231%0.30826%0.262SS..  trans-90.3133.6176.5-177.70000112.7C364 E368C364-S366 VanDerWaalsContact C-N 3.27Å; C364-S366 PolarHBondContact O-N 2.9Å; S366-E368 WeakPolarHBondContact OG-CG 3.33Å; S366-E368 PolarHBondContact OG-N 3.25Å
367L86.3Confident91.1Very high13 Ų1348.2 Ų48.27%0.06826%0.258CS..SBendtrans-88.62.8174.1-69.8-176.8000114Y297 I362 I370 W405Y297-L367 HydrophobicContact CD1-CD1 3.48Å; Y297-L367 VanDerWaalsContact CD1-CD1 3.48Å; Y297-L367 HydrophobicContact CD1-CG 4.13Å; Y297-L367 HydrophobicContact CD2-CD1 4.09Å; Y297-L367 HydrophobicContact CD2-CD2 4.06Å; Y297-L367 HydrophobicContact CD2-CG 4.4Å; Y297-L367 HydrophobicContact CE1-CD1 3.85Å; Y297-L367 HydrophobicContact CE1-CG 3.98Å; Y297-L367 HydrophobicContact CE2-CD1 4.44Å; Y297-L367 HydrophobicContact CE2-CD2 3.94Å; Y297-L367 HydrophobicContact CE2-CG 4.29Å; Y297-L367 HydrophobicContact CG-CD1 3.6Å; Y297-L367 HydrophobicContact CG-CD2 4.42Å; Y297-L367 HydrophobicContact CG-CG 4.32Å; I362-L367 HydrophobicContact CG1-CD2 4.5Å; I362-L367 HydrophobicContact CG2-CD2 4.26Å; L367-I370 HydrophobicContact CD2-CB 4.23Å; L367-I370 HydrophobicContact CD2-CG1 4.25Å; L367-I370 HydrophobicContact CD2-CG2 4.32Å; L367-I370 PolarHBondContact O-N 3.21Å; L367-W405 HydrophobicContact CB-CZ2 4.1Å; L367-W405 HydrophobicContact CD1-CZ2 4.34Å; L367-W405 HydrophobicContact CD2-CZ2 4.13Å; L367-W405 HydrophobicContact CG-CZ2 4.44Å; L367-W405 PolarHBondContact O-NE1 2.99Å
368E87.5Confident90.6Very high146 Ų14643.4 Ų43.468%0.68223%0.232SC*.THydrogen-bonded Turntrans-65.3-41.8-176.2-69.8175.1176.200112.7S366 I370S366-E368 WeakPolarHBondContact OG-CG 3.33Å; S366-E368 PolarHBondContact OG-N 3.25Å; E368-I370 VanDerWaalsContact C-N 3.32Å
369E90.4Very high89.8Confident114 Ų11443.9 Ų43.953%0.53324%0.238SC..THydrogen-bonded Turntrans-86.9-2.2178.2-59.1-162.6163.300113.7H333 A334H333-E369 WeakPolarHBondContact CA-O 3.31Å; H333-E369 IonicContact CE1-OE2 3.98Å; H333-E369 IonicContact NE2-OE2 3.46Å; A334-E369 PolarHBondContact N-O 2.87Å; A334-E369 VanDerWaalsContact N-O 3.07Å
370I94.7Very high88.7Confident1 Ų143.9 Ų43.91%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-91.9136.9-177.5-61.2-70.1000110.4L331 Y332 H333 I362 L367 E368 W405L331-I370 HydrophobicContact CD1-CG2 3.8Å; Y332-I370 WeakPolarHBondContact O-CA 3.08Å; H333-I370 HydrophobicContact CB-CD1 3.91Å; H333-I370 VanDerWaalsContact CD2-CD1 3.49Å; H333-I370 WeakPolarHBondContact CD2-CD1 3.41Å; I362-I370 HydrophobicContact CD1-CG2 4.31Å; I362-I370 HydrophobicContact CG2-CD1 3.71Å; I362-I370 HydrophobicContact CG2-CG1 3.76Å; L367-I370 HydrophobicContact CD2-CB 4.23Å; L367-I370 HydrophobicContact CD2-CG1 4.25Å; L367-I370 HydrophobicContact CD2-CG2 4.32Å; L367-I370 PolarHBondContact O-N 3.21Å; E368-I370 VanDerWaalsContact C-N 3.32Å; I370-W405 HydrophobicContact CB-CH2 4.49Å; I370-W405 HydrophobicContact CB-CZ2 3.96Å; I370-W405 HydrophobicContact CG2-CH2 3.71Å; I370-W405 HydrophobicContact CG2-CZ2 3.67Å
371S95.3Very high86.9Confident24 Ų2454.2 Ų54.217%0.16827%0.273CS..EExtended strand (participates in β ladder)trans-144.4147.3169.346.70000112.1Y332 L393Y332-S371 PolarHBondContact N-O 3.21Å; Y332-S371 PolarHBondContact O-N 3.38Å; S371-L393 CarbonylContact C-O 3.6Å; S371-L393 WeakPolarHBondContact CA-O 3.17Å; S371-L393 VanDerWaalsContact CB-O 3.3Å; S371-L393 WeakPolarHBondContact CB-O 3.08Å
372V96.8Very high85Confident0 Ų052.5 Ų52.50%029%0.285CS..EExtended strand (participates in β ladder)trans-114.2120.3176.3-173.80000108.7L304 V329 N330 L331 F374 V392 L393 W405L304-V372 HydrophobicContact CD2-CG2 3.63Å; V329-V372 HydrophobicContact CG1-CG1 3.61Å; N330-V372 WeakPolarHBondContact O-CA 3.27Å; L331-V372 HydrophobicContact CD1-CG2 3.8Å; V372-F374 HydrophobicContact CB-CE2 4.11Å; V372-F374 HydrophobicContact CB-CZ 4.47Å; V372-F374 HydrophobicContact CG1-CD2 4.22Å; V372-F374 HydrophobicContact CG1-CE1 4.29Å; V372-F374 HydrophobicContact CG1-CE2 3.53Å; V372-F374 HydrophobicContact CG1-CZ 3.58Å; V372-V392 WeakPolarHBondContact O-CA 3.31Å; V372-L393 PolarHBondContact N-O 3.22Å; V372-L393 PolarHBondContact O-N 3.07Å; V372-W405 HydrophobicContact CB-CZ3 4.5Å; V372-W405 HydrophobicContact CG2-CH2 4.01Å; V372-W405 HydrophobicContact CG2-CZ3 3.82Å
373E96.5Very high83.5Confident16 Ų1654.9 Ų54.98%0.07530%0.303CS..EExtended strand (participates in β ladder)trans-104.2129.9174.3175.8-167.2-103.600110V329 N330 Y332 L375 R390 L391 V392V329-E373 CarbonylContact C-O 3.52Å; V329-E373 WeakPolarHBondContact CA-O 3.4Å; N330-E373 HydrophobicContact CB-CB 4.31Å; N330-E373 PolarHBondContact N-O 3.36Å; N330-E373 PolarHBondContact ND2-OE2 3.42Å; N330-E373 PolarHBondContact O-N 3.19Å; Y332-E373 HydrophobicContact CD2-CB 4.38Å; Y332-E373 HydrophobicContact CE2-CB 4.05Å; E373-L375 HydrophobicContact CG-CD2 4.21Å; E373-L375 HydrophobicContact CG-CG 4.15Å; E373-R390 HydrophobicContact CG-CG 4.39Å; E373-R390 IonicContact OE1-CZ 3.28Å; E373-R390 IonicContact OE1-NE 3.11Å; E373-R390 PolarHBondContact OE1-NE 3.05Å; E373-R390 IonicContact OE1-NH2 2.67Å; E373-R390 PolarHBondContact OE1-NH2 3.35Å; E373-L391 CarbonylContact C-O 3.46Å; E373-L391 WeakPolarHBondContact CA-O 3.42Å; E373-V392 HydrophobicContact CB-CG2 4.46Å; E373-V392 HydrophobicContact CG-CG2 4.35Å
374F97.3Very high82.7Confident0 Ų061.9 Ų61.90%032%0.318CS..EExtended strand (participates in β ladder)trans-108.2117.2171.3-53.6-101.2000108.1L291 V293 L295 V306 V308 V327 K328 V329 V372 R390 L391 L393L291-F374 HydrophobicContact CD2-CB 3.83Å; L291-F374 HydrophobicContact CD2-CD1 4.1Å; L291-F374 HydrophobicContact CD2-CG 4.07Å; V293-F374 HydrophobicContact CB-CE1 4.28Å; V293-F374 HydrophobicContact CB-CZ 4.18Å; V293-F374 HydrophobicContact CG1-CD1 3.95Å; V293-F374 HydrophobicContact CG1-CE1 3.67Å; V293-F374 HydrophobicContact CG1-CE2 4.45Å; V293-F374 HydrophobicContact CG1-CG 4.45Å; V293-F374 HydrophobicContact CG1-CZ 3.95Å; V293-F374 HydrophobicContact CG2-CZ 4.35Å; L295-F374 HydrophobicContact CD1-CZ 4.48Å; V306-F374 HydrophobicContact CG1-CE1 3.52Å; V306-F374 HydrophobicContact CG1-CZ 3.52Å; V308-F374 HydrophobicContact CG2-CD1 4.14Å; V308-F374 HydrophobicContact CG2-CE1 4.01Å; V327-F374 HydrophobicContact CG1-CB 3.99Å; V327-F374 HydrophobicContact CG1-CD1 4.17Å; K328-F374 WeakPolarHBondContact O-CA 3.08Å; V329-F374 HydrophobicContact CG1-CD1 4.3Å; V329-F374 HydrophobicContact CG1-CE1 4.03Å; V329-F374 HydrophobicContact CG2-CD1 3.87Å; V329-F374 HydrophobicContact CG2-CE1 4.04Å; V372-F374 HydrophobicContact CB-CE2 4.11Å; V372-F374 HydrophobicContact CB-CZ 4.47Å; V372-F374 HydrophobicContact CG1-CD2 4.22Å; V372-F374 HydrophobicContact CG1-CE1 4.29Å; V372-F374 HydrophobicContact CG1-CE2 3.53Å; V372-F374 HydrophobicContact CG1-CZ 3.58Å; F374-R390 WeakPolarHBondContact O-CA 3.25Å; F374-L391 HydrophobicContact CB-CB 4.23Å; F374-L391 HydrophobicContact CD2-CB 4.39Å; F374-L391 HydrophobicContact CD2-CD2 3.88Å; F374-L391 HydrophobicContact CD2-CG 4.03Å; F374-L391 HydrophobicContact CE2-CD2 4.41Å; F374-L391 HydrophobicContact CG-CD2 4.39Å; F374-L391 PolarHBondContact N-O 3.14Å; F374-L391 PolarHBondContact O-N 3.47Å; F374-L393 HydrophobicContact CE2-CD1 3.77Å; F374-L393 HydrophobicContact CE2-CG 3.99Å; F374-L393 HydrophobicContact CZ-CD1 4.35Å
375L95.1Very high82.8Confident30 Ų3062.2 Ų62.216%0.15732%0.316CS..EExtended strand (participates in β ladder)trans-104.1117.1169.2-61.5173000107.8V327 K328 E373 L377 V387 R390V327-L375 CarbonylContact C-O 3.56Å; V327-L375 WeakPolarHBondContact CA-O 3.48Å; K328-L375 HydrophobicContact CB-CB 4.4Å; K328-L375 PolarHBondContact N-O 3.28Å; K328-L375 PolarHBondContact O-N 2.88Å; E373-L375 HydrophobicContact CG-CD2 4.21Å; E373-L375 HydrophobicContact CG-CG 4.15Å; L375-L377 HydrophobicContact CB-CD1 3.89Å; L375-L377 WeakPolarHBondContact O-CD1 3.43Å; L375-V387 HydrophobicContact CD2-CG1 4.41Å; L375-R390 HydrophobicContact CD2-CB 3.95Å; L375-R390 HydrophobicContact CD2-CG 3.73Å
376V93.6Very high83.2Confident0 Ų059.8 Ų59.80%031%0.305CS..EExtended strand (participates in β ladder)trans-87.9127.6169-170.90000107.5L291 L314 P325 V327 I388 G389 L422L291-V376 HydrophobicContact CD1-CG2 4.48Å; L291-V376 HydrophobicContact CD2-CG2 4.36Å; L314-V376 HydrophobicContact CD1-CG1 4.19Å; L314-V376 HydrophobicContact CD2-CG1 3.96Å; P325-V376 HydrophobicContact CB-CG1 4.47Å; V327-V376 HydrophobicContact CG2-CG2 4.15Å; V376-I388 HydrophobicContact CB-CB 4.36Å; V376-I388 HydrophobicContact CG1-CB 4.22Å; V376-I388 HydrophobicContact CG1-CD1 4.29Å; V376-I388 HydrophobicContact CG1-CG2 4.38Å; V376-I388 WeakPolarHBondContact O-CB 3.25Å; V376-I388 PolarHBondContact O-N 3.15Å; V376-G389 PolarHBondContact N-O 3Å; V376-G389 PolarHBondContact O-N 3.28Å; V376-L422 HydrophobicContact CB-CD1 4.34Å; V376-L422 HydrophobicContact CG2-CD1 3.72Å; V376-L422 HydrophobicContact CG2-CD2 3.81Å; V376-L422 HydrophobicContact CG2-CG 4.46Å
377L91.4Very high83.6Confident5 Ų560.2 Ų60.23%0.02631%0.305CS..EExtended strand (participates in β ladder)trans-130.2151.9-179.2-61.4101.9000111.5P325 Y326 K328 L375 N385 E386 V387P325-L377 CarbonylContact C-O 3.49Å; P325-L377 VanDerWaalsContact CA-O 3.27Å; P325-L377 WeakPolarHBondContact CA-O 3.12Å; Y326-L377 HydrophobicContact CD1-CB 4.17Å; Y326-L377 WeakPolarHBondContact CD1-O 3.3Å; Y326-L377 HydrophobicContact CE1-CB 3.65Å; Y326-L377 HydrophobicContact CE2-CD1 4.43Å; Y326-L377 PolarHBondContact N-O 2.87Å; Y326-L377 PolarHBondContact O-N 3.17Å; K328-L377 HydrophobicContact CB-CD1 4.29Å; K328-L377 HydrophobicContact CD-CD1 3.56Å; K328-L377 HydrophobicContact CG-CD1 3.8Å; L375-L377 HydrophobicContact CB-CD1 3.89Å; L375-L377 WeakPolarHBondContact O-CD1 3.43Å; L377-N385 HydrophobicContact CD2-CB 4.11Å; L377-E386 CarbonylContact C-O 3.5Å; L377-E386 WeakPolarHBondContact CA-O 3.2Å; L377-E386 WeakPolarHBondContact CB-O 3.25Å; L377-V387 HydrophobicContact CD2-CG2 3.79Å; L377-V387 HydrophobicContact CG-CG2 4.22Å
378D87.3Confident83.6Confident3 Ų360.1 Ų60.12%0.01631%0.305CS..EExtended strand (participates in β ladder)trans-84.5139.5165.7-148.9-29.6000110.3S317 S323 D324 N385 E386 I388S317-D378 WeakPolarHBondContact CB-OD2 3.47Å; S323-D378 VanDerWaalsContact CA-OD2 3.23Å; S323-D378 WeakPolarHBondContact CA-OD2 3.5Å; S323-D378 WeakPolarHBondContact CB-OD2 3.49Å; D324-D378 WeakPolarHBondContact CA-OD1 3.4Å; D324-D378 PolarHBondContact N-OD1 2.95Å; D378-N385 WeakPolarHBondContact O-CA 3.49Å; D378-N385 WeakPolarHBondContact O-CB 3.28Å; D378-N385 PolarHBondContact O-OD1 3.43Å; D378-E386 PolarHBondContact N-O 2.98Å; D378-I388 HydrophobicContact CB-CD1 3.98Å; D378-I388 HydrophobicContact CB-CG1 4.25Å
379S81.6Confident83.7Confident29 Ų2953.1 Ų53.120%0.20327%0.272CS..  trans-105.367.5-176-1800000111.9D324 N385D324-S379 WeakPolarHBondContact O-CB 3.39Å; D324-S379 PolarHBondContact O-N 3.12Å; S379-N385 WeakPolarHBondContact CA-OD1 3.18Å
380E72.7Confident83.9Confident57 Ų5751.7 Ų51.727%0.26626%0.262SS..  trans-71.3143178.1-69.9-169.8168.400113.3S317 G382 S383S317-E380 WeakPolarHBondContact CB-OE1 3.37Å; S317-E380 PolarHBondContact OG-OE1 3.21Å; E380-G382 PolarHBondContact O-N 3.45Å; E380-S383 WeakPolarHBondContact CB-OG 3.08Å; E380-S383 WeakPolarHBondContact OE2-CB 3.34Å; E380-S383 PolarHBondContact OE2-OG 3.32Å
381R58Low83.9Confident222 Ų22252 Ų5284%0.83826%0.264SS*.SBendtrans-87.3107.2177.1-82.4-173.9-93-172.6-0.6110.8
382G54.6Low83.9Confident90 Ų9052.9 Ų52.993%0.92827%0.268SS*.SBendtrans100.9-3.5173.200000115.3E380E380-G382 PolarHBondContact O-N 3.45Å
383S61.8Low83.9Confident60 Ų6052.9 Ų52.942%0.4227%0.268SS..SBendtrans-112.3-177.3173.477.20000111.3E380E380-S383 WeakPolarHBondContact CB-OG 3.08Å; E380-S383 WeakPolarHBondContact OE2-CB 3.34Å; E380-S383 PolarHBondContact OE2-OG 3.32Å
384R68.6Low83.7Confident234 Ų23452.1 Ų52.188%0.88326%0.264SS*.  trans-86.5115.8173.2177.1179.7175.4172.5-1.8109E386R384-E386 PolarHBondContact O-N 3.03Å; R384-E386 VanDerWaalsContact O-N 3.14Å
385N78.5Confident83.4Confident60 Ų6054.9 Ų54.932%0.32129%0.287SS..  trans-42.1117.6175.4-58-64.2000112.6Y326 L377 D378 S379Y326-N385 PolarHBondContact OH-ND2 2.99Å; L377-N385 HydrophobicContact CD2-CB 4.11Å; D378-N385 WeakPolarHBondContact O-CA 3.49Å; D378-N385 WeakPolarHBondContact O-CB 3.28Å; D378-N385 PolarHBondContact O-OD1 3.43Å; S379-N385 WeakPolarHBondContact CA-OD1 3.18Å
386E80.8Confident83Confident108 Ų10859.7 Ų59.751%0.50532%0.318SS..  trans-76.7145.4179.3-170.6178179.700111.1L377 D378 R384 I388L377-E386 CarbonylContact C-O 3.5Å; L377-E386 WeakPolarHBondContact CA-O 3.2Å; L377-E386 WeakPolarHBondContact CB-O 3.25Å; D378-E386 PolarHBondContact N-O 2.98Å; R384-E386 PolarHBondContact O-N 3.03Å; R384-E386 VanDerWaalsContact O-N 3.14Å; E386-I388 PolarHBondContact O-N 3.32Å
387V86.8Confident82.7Confident53 Ų5360.6 Ų60.632%0.32133%0.325SS..EExtended strand (participates in β ladder)trans-89.3101.5173.3179.10000109R288 L375 L377R288-V387 PolarHBondContact NH1-O 3.36Å; L375-V387 HydrophobicContact CD2-CG1 4.41Å; L377-V387 HydrophobicContact CD2-CG2 3.79Å; L377-V387 HydrophobicContact CG-CG2 4.22Å
388I87.1Confident82.2Confident10 Ų1069.2 Ų69.25%0.05137%0.365CS..EExtended strand (participates in β ladder)trans-60.2-47.3174.3-68.9169.1000110.1R288 L314 P315 P325 V376 D378 E386R288-I388 VanDerWaalsContact CB-O 3.28Å; R288-I388 WeakPolarHBondContact CB-O 3.17Å; R288-I388 WeakPolarHBondContact CD-O 3.25Å; R288-I388 WeakPolarHBondContact CG-O 3.07Å; R288-I388 PolarHBondContact NH1-O 3.31Å; L314-I388 HydrophobicContact CD2-CG2 3.94Å; P315-I388 HydrophobicContact CG-CG2 3.67Å; P325-I388 HydrophobicContact CB-CD1 4.31Å; V376-I388 HydrophobicContact CB-CB 4.36Å; V376-I388 HydrophobicContact CG1-CB 4.22Å; V376-I388 HydrophobicContact CG1-CD1 4.29Å; V376-I388 HydrophobicContact CG1-CG2 4.38Å; V376-I388 WeakPolarHBondContact O-CB 3.25Å; V376-I388 PolarHBondContact O-N 3.15Å; D378-I388 HydrophobicContact CB-CD1 3.98Å; D378-I388 HydrophobicContact CB-CG1 4.25Å; E386-I388 PolarHBondContact O-N 3.32Å
389G89.9Confident82.2Confident0 Ų072.2 Ų72.20%040%0.398CS..EExtended strand (participates in β ladder)trans-178.1169.2177.400000115.3V376V376-G389 PolarHBondContact N-O 3Å; V376-G389 PolarHBondContact O-N 3.28Å
390R92.8Very high82.6Confident83 Ų8374.2 Ų74.231%0.31341%0.411SS..EExtended strand (participates in β ladder)trans-125.3140.7-170.2-177.1169.4-175.5-98.9-2.3111.6E373 F374 L375 V392 C423E373-R390 HydrophobicContact CG-CG 4.39Å; E373-R390 IonicContact OE1-CZ 3.28Å; E373-R390 IonicContact OE1-NE 3.11Å; E373-R390 PolarHBondContact OE1-NE 3.05Å; E373-R390 IonicContact OE1-NH2 2.67Å; E373-R390 PolarHBondContact OE1-NH2 3.35Å; F374-R390 WeakPolarHBondContact O-CA 3.25Å; L375-R390 HydrophobicContact CD2-CB 3.95Å; L375-R390 HydrophobicContact CD2-CG 3.73Å; R390-V392 HydrophobicContact CG-CG2 4.44Å; R390-V392 VanDerWaalsContact CZ-CG2 3.43Å; R390-C423 PolarHBondContact N-O 3.28Å; R390-C423 PolarHBondContact O-N 2.94Å
391L95.1Very high83.5Confident9 Ų971.6 Ų71.65%0.04740%0.399CS..EExtended strand (participates in β ladder)trans-132.2137.6169.6166.766.6000108.4L291 V293 E373 F374 L393 H420 L422L291-L391 HydrophobicContact CD2-CD2 4.29Å; V293-L391 HydrophobicContact CG1-CD2 4.48Å; V293-L391 HydrophobicContact CG2-CD2 4.29Å; E373-L391 CarbonylContact C-O 3.46Å; E373-L391 WeakPolarHBondContact CA-O 3.42Å; F374-L391 HydrophobicContact CB-CB 4.23Å; F374-L391 HydrophobicContact CD2-CB 4.39Å; F374-L391 HydrophobicContact CD2-CD2 3.88Å; F374-L391 HydrophobicContact CD2-CG 4.03Å; F374-L391 HydrophobicContact CE2-CD2 4.41Å; F374-L391 HydrophobicContact CG-CD2 4.39Å; F374-L391 PolarHBondContact N-O 3.14Å; F374-L391 PolarHBondContact O-N 3.47Å; L391-L393 HydrophobicContact CD1-CD2 3.95Å; L391-L393 HydrophobicContact CD2-CD2 4.44Å; L391-L393 HydrophobicContact CG-CD2 4.25Å; L391-H420 HydrophobicContact CD1-CB 3.55Å; L391-H420 HydrophobicContact CD2-CB 3.76Å; L391-H420 HydrophobicContact CG-CB 4.28Å; L391-L422 HydrophobicContact CB-CD2 3.95Å
392V95.6Very high85.1Confident41 Ų4161.8 Ų61.825%0.24837%0.367CS..EExtended strand (participates in β ladder)trans-124.8132.1173.2-1760000109V372 E373 R390 A397V372-V392 WeakPolarHBondContact O-CA 3.31Å; E373-V392 HydrophobicContact CB-CG2 4.46Å; E373-V392 HydrophobicContact CG-CG2 4.35Å; R390-V392 HydrophobicContact CG-CG2 4.44Å; R390-V392 VanDerWaalsContact CZ-CG2 3.43Å; V392-A397 HydrophobicContact CG1-CB 4.43Å
393L96.2Very high87Confident0 Ų059 Ų590%034%0.339CS..EExtended strand (participates in β ladder)trans-116.4137.9168.2-49.7-179.1000108.2V293 L295 S371 V372 F374 L391 G401 W405V293-L393 HydrophobicContact CG2-CD1 4.02Å; L295-L393 HydrophobicContact CD1-CD1 3.38Å; L295-L393 HydrophobicContact CD2-CD1 3.67Å; L295-L393 HydrophobicContact CG-CD1 4.21Å; S371-L393 CarbonylContact C-O 3.6Å; S371-L393 WeakPolarHBondContact CA-O 3.17Å; S371-L393 VanDerWaalsContact CB-O 3.3Å; S371-L393 WeakPolarHBondContact CB-O 3.08Å; V372-L393 PolarHBondContact N-O 3.22Å; V372-L393 PolarHBondContact O-N 3.07Å; F374-L393 HydrophobicContact CE2-CD1 3.77Å; F374-L393 HydrophobicContact CE2-CG 3.99Å; F374-L393 HydrophobicContact CZ-CD1 4.35Å; L391-L393 HydrophobicContact CD1-CD2 3.95Å; L391-L393 HydrophobicContact CD2-CD2 4.44Å; L391-L393 HydrophobicContact CG-CD2 4.25Å; L393-G401 VanDerWaalsContact CD2-CA 3.45Å; L393-W405 HydrophobicContact CB-CE3 3.74Å; L393-W405 HydrophobicContact CB-CZ3 4.28Å
394G94.1Very high88.7Confident0 Ų056.2 Ų56.20%032%0.32CS..EExtended strand (participates in β ladder)trans168166.3-175.700000110.5T396 A397 W405G394-T396 PolarHBondContact O-N 2.96Å; G394-A397 WeakPolarHBondContact O-CB 3.3Å; G394-A397 PolarHBondContact O-N 3.14Å; G394-W405 VanDerWaalsContact C-CG 3.41Å; G394-W405 VanDerWaalsContact CA-CG 3.47Å
395A89.7Confident90Very high58 Ų5845.3 Ų45.348%0.47928%0.278SS..THydrogen-bonded Turntrans-62.5-27.6-177.900000113.1
396T86.5Confident90.7Very high131 Ų13148.8 Ų48.880%0.80429%0.291SS*.THydrogen-bonded Turntrans-98.37.4177.753.90000113.9G394G394-T396 PolarHBondContact O-N 2.96Å
397A87.8Confident91.4Very high20 Ų2046.8 Ų46.817%0.16528%0.281CS..  trans-80.3133.7179.700000111.4V392 G394 G402V392-A397 HydrophobicContact CG1-CB 4.43Å; G394-A397 WeakPolarHBondContact O-CB 3.3Å; G394-A397 PolarHBondContact O-N 3.14Å; A397-G402 WeakPolarHBondContact O-CA 3.42Å; A397-G402 PolarHBondContact O-N 3.47Å; A397-G402 VanDerWaalsContact O-N 3.15Å
398E81.3Confident91.8Very high185 Ų18544.3 Ų44.386%0.86427%0.266SS*.  trans-76.7160.2-179.4-64.2-177171.800113.4G401E398-G401 PolarHBondContact O-N 3.46Å
399G87.7Confident92Very high67 Ų6746.4 Ų46.469%0.69128%0.281SS*.Hα-helixtrans57.4-134.5171.800000114.3G401 G403G399-G401 PolarHBondContact O-N 3.06Å; G399-G403 PolarHBondContact O-N 3.06Å
400S89.3Confident92.2Very high70 Ų7050.8 Ų50.849%0.4931%0.305SS..Hα-helixtrans-60.7-26.3-176.4700000113.7H404 H420S400-H404 PolarHBondContact O-N 3.39Å; S400-H420 PolarHBondContact O-CE1 3.46Å; S400-H420 VanDerWaalsContact O-CE1 3.27Å; S400-H420 PolarHBondContact OG-ND1 3.35Å
401G91.2Very high92.2Very high2 Ų251.7 Ų51.72%0.02131%0.311CS..Hα-helixtrans-70-50.6-176.700000112.5L393 E398 G399 G403 H404 W405L393-G401 VanDerWaalsContact CD2-CA 3.45Å; E398-G401 PolarHBondContact O-N 3.46Å; G399-G401 PolarHBondContact O-N 3.06Å; G401-G403 VanDerWaalsContact C-N 3.34Å; G401-H404 PolarHBondContact O-N 3.46Å; G401-W405 PolarHBondContact O-N 3.41Å
402G92.6Very high91.9Very high16 Ų1653.6 Ų53.617%0.16532%0.324CS..Hα-helixtrans-63.9-37.6173.200000112.6A397 H404 W405 K406A397-G402 WeakPolarHBondContact O-CA 3.42Å; A397-G402 PolarHBondContact O-N 3.47Å; A397-G402 VanDerWaalsContact O-N 3.15Å; G402-H404 PolarHBondContact O-N 2.85Å; G402-W405 PolarHBondContact O-N 3.35Å; G402-K406 WeakPolarHBondContact O-CB 3.13Å; G402-K406 PolarHBondContact O-N 3.39Å
403G94.7Very high91.7Very high33 Ų3359.1 Ų59.134%0.3434%0.34SS..Hα-helixtrans-61.3-41175.600000113.7G399 G401 E407G399-G403 PolarHBondContact O-N 3.06Å; G401-G403 VanDerWaalsContact C-N 3.34Å; G403-E407 PolarHBondContact O-N 3.22Å
404H96Very high91.7Very high1 Ų166.1 Ų66.11%0.00537%0.367CS..Hα-helixtrans-70.5-37.8173.8-169.7-177.4000112S400 G401 G402 E407 I408 I416 K418 H420S400-H404 PolarHBondContact O-N 3.39Å; G401-H404 PolarHBondContact O-N 3.46Å; G402-H404 PolarHBondContact O-N 2.85Å; H404-E407 PolarHBondContact O-N 2.99Å; H404-I408 PolarHBondContact O-N 3.42Å; H404-I416 PolarHBondContact NE2-O 3.3Å; H404-K418 HydrophobicContact CB-CD 3.99Å; H404-H420 AromaticContact CE1-NE2 3.86Å; H404-H420 AromaticContact CG-NE2 3.74Å; H404-H420 AromaticContact ND1-CE1 3.58Å; H404-H420 AromaticContact ND1-NE2 2.89Å; H404-H420 PolarHBondContact ND1-NE2 2.95Å
405W96.1Very high91.7Very high4 Ų470.3 Ų70.32%0.01539%0.386CS..Hα-helixtrans-62.4-44.8175.6-162.8-102.2000112L295 L304 L367 I370 V372 L393 G394 G401 G402 E407 I408 C409L295-W405 HydrophobicContact CD2-CE3 4.04Å; L295-W405 HydrophobicContact CD2-CZ3 3.71Å; L304-W405 HydrophobicContact CD2-CH2 3.75Å; L304-W405 HydrophobicContact CD2-CZ3 4.1Å; L367-W405 HydrophobicContact CB-CZ2 4.1Å; L367-W405 HydrophobicContact CD1-CZ2 4.34Å; L367-W405 HydrophobicContact CD2-CZ2 4.13Å; L367-W405 HydrophobicContact CG-CZ2 4.44Å; L367-W405 PolarHBondContact O-NE1 2.99Å; I370-W405 HydrophobicContact CB-CH2 4.49Å; I370-W405 HydrophobicContact CB-CZ2 3.96Å; I370-W405 HydrophobicContact CG2-CH2 3.71Å; I370-W405 HydrophobicContact CG2-CZ2 3.67Å; V372-W405 HydrophobicContact CB-CZ3 4.5Å; V372-W405 HydrophobicContact CG2-CH2 4.01Å; V372-W405 HydrophobicContact CG2-CZ3 3.82Å; L393-W405 HydrophobicContact CB-CE3 3.74Å; L393-W405 HydrophobicContact CB-CZ3 4.28Å; G394-W405 VanDerWaalsContact C-CG 3.41Å; G394-W405 VanDerWaalsContact CA-CG 3.47Å; G401-W405 PolarHBondContact O-N 3.41Å; G402-W405 PolarHBondContact O-N 3.35Å; W405-E407 PolarHBondContact O-N 3.03Å; W405-I408 HydrophobicContact CD2-CD1 4.16Å; W405-I408 HydrophobicContact CE3-CD1 3.75Å; W405-I408 HydrophobicContact CH2-CD1 4.39Å; W405-I408 HydrophobicContact CZ3-CD1 3.89Å; W405-I408 WeakPolarHBondContact O-CG1 3.35Å; W405-I408 PolarHBondContact O-N 3.36Å; W405-C409 PolarHBondContact O-N 3.46Å; W405-C409 PolarHBondContact O-SG 3.01Å; W405-C409 VanDerWaalsContact O-SG 3.33Å
406K94.6Very high92.1Very high133 Ų13368.2 Ų68.258%0.57837%0.367SS*.Hα-helixtrans-58.5-45.5176.6-177.6171-179.8175.20111.9G402 I408 C409 D410G402-K406 WeakPolarHBondContact O-CB 3.13Å; G402-K406 PolarHBondContact O-N 3.39Å; K406-I408 VanDerWaalsContact C-N 3.33Å; K406-I408 PolarHBondContact O-N 3.14Å; K406-C409 WeakPolarHBondContact O-CB 3.39Å; K406-C409 PolarHBondContact O-N 3.46Å; K406-C409 VanDerWaalsContact O-N 3.08Å; K406-D410 WeakPolarHBondContact CE-OD2 3.45Å; K406-D410 WeakPolarHBondContact CG-OD2 3.4Å; K406-D410 VanDerWaalsContact O-CG 3.31Å; K406-D410 PolarHBondContact O-N 2.79Å
407E94.8Very high92.6Very high67 Ų6764.7 Ų64.731%0.31335%0.351SS..Hα-helixtrans-65.3-30.2-179.4-73.9175.3-156.200114.2G403 H404 W405 C409 F411 I416 K418G403-E407 PolarHBondContact O-N 3.22Å; H404-E407 PolarHBondContact O-N 2.99Å; W405-E407 PolarHBondContact O-N 3.03Å; E407-C409 VanDerWaalsContact C-N 3.34Å; E407-F411 WeakPolarHBondContact O-CB 3.3Å; E407-F411 WeakPolarHBondContact O-CD2 3.35Å; E407-F411 PolarHBondContact O-N 3.17Å; E407-I416 HydrophobicContact CB-CD1 3.88Å; E407-I416 WeakPolarHBondContact O-CD1 3.41Å; E407-K418 IonicContact OE1-NZ 3.3Å; E407-K418 PolarHBondContact OE1-NZ 3.42Å; E407-K418 WeakPolarHBondContact OE2-CE 3.44Å; E407-K418 IonicContact OE2-NZ 3.55Å; E407-K418 PolarHBondContact OE2-NZ 3.48Å
408I94.9Very high93Very high0 Ų066.6 Ų66.60%036%0.355CS..Hα-helixtrans-76-23.3173.463.3161.9000112.9L295 L304 H404 W405 K406 I416L295-I408 HydrophobicContact CB-CD1 4.07Å; L295-I408 HydrophobicContact CB-CG2 3.89Å; L295-I408 HydrophobicContact CD2-CD1 3.92Å; L304-I408 HydrophobicContact CD1-CD1 3.91Å; H404-I408 PolarHBondContact O-N 3.42Å; W405-I408 HydrophobicContact CD2-CD1 4.16Å; W405-I408 HydrophobicContact CE3-CD1 3.75Å; W405-I408 HydrophobicContact CH2-CD1 4.39Å; W405-I408 HydrophobicContact CZ3-CD1 3.89Å; W405-I408 WeakPolarHBondContact O-CG1 3.35Å; W405-I408 PolarHBondContact O-N 3.36Å; K406-I408 VanDerWaalsContact C-N 3.33Å; K406-I408 PolarHBondContact O-N 3.14Å; I408-I416 HydrophobicContact CG2-CB 4.26Å; I408-I416 HydrophobicContact CG2-CD1 4.07Å
409C91.9Very high93.6Very high54 Ų5461.5 Ų61.537%0.36533%0.328SS..Hα-helixtrans-74.5-45.1169.7-61.80000111.2W405 K406 E407 F411W405-C409 PolarHBondContact O-N 3.46Å; W405-C409 PolarHBondContact O-SG 3.01Å; W405-C409 VanDerWaalsContact O-SG 3.33Å; K406-C409 WeakPolarHBondContact O-CB 3.39Å; K406-C409 PolarHBondContact O-N 3.46Å; K406-C409 VanDerWaalsContact O-N 3.08Å; E407-C409 VanDerWaalsContact C-N 3.34Å; C409-F411 VanDerWaalsContact C-N 3.34Å; C409-F411 PolarHBondContact O-N 3.5Å
410D93.4Very high93.9Very high92 Ų9258.5 Ų58.549%0.49230%0.296SS..Hα-helixtrans-69-30.9-179.4-66.3-12.8000111.9K406 P412K406-D410 WeakPolarHBondContact CE-OD2 3.45Å; K406-D410 WeakPolarHBondContact CG-OD2 3.4Å; K406-D410 VanDerWaalsContact O-CG 3.31Å; K406-D410 PolarHBondContact O-N 2.79Å; D410-P412 WeakPolarHBondContact O-CD 3.47Å
411F93.1Very high94Very high102 Ų10261.5 Ų61.545%0.44730%0.304SS..SBendtrans-124.169.2-179.2-57.8-73.3000112.8E407 C409 R414 I416E407-F411 WeakPolarHBondContact O-CB 3.3Å; E407-F411 WeakPolarHBondContact O-CD2 3.35Å; E407-F411 PolarHBondContact O-N 3.17Å; C409-F411 VanDerWaalsContact C-N 3.34Å; C409-F411 PolarHBondContact O-N 3.5Å; F411-R414 HydrophobicContact CB-CB 3.9Å; F411-R414 WeakPolarHBondContact O-CB 3.44Å; F411-R414 PolarHBondContact O-N 3.44Å; F411-R414 VanDerWaalsContact O-N 3.14Å; F411-I416 HydrophobicContact CB-CD1 4.39Å
412P88.4Confident94Very high49 Ų4961.8 Ų61.832%0.31831%0.305SS..THydrogen-bonded Turntrans-61.7148.1178.527.5-35.1000111.6D410 R414D410-P412 WeakPolarHBondContact O-CD 3.47Å; P412-R414 PolarHBondContact O-N 3.23Å
413R92.1Very high93.6Very high158 Ų15864.9 Ų64.960%0.59632%0.324SS*.THydrogen-bonded Turntrans65.2-2.6-169.5-54.6174.4-68.4-102.5-3.2115.5C296 Y297 Q298C296-R413 VanDerWaalsContact SG-C 3.57Å; Y297-R413 PolarHBondContact O-N 3.06Å; Q298-R413 HydrophobicContact CG-CG 4.19Å
414R94.8Very high92.4Very high146 Ų14669.3 Ų69.355%0.55134%0.34SS*.  trans-84122.8172.3-167.9179.2177.5177.7-0.1109.8F411 P412 I416F411-R414 HydrophobicContact CB-CB 3.9Å; F411-R414 WeakPolarHBondContact O-CB 3.44Å; F411-R414 PolarHBondContact O-N 3.44Å; F411-R414 VanDerWaalsContact O-N 3.14Å; P412-R414 PolarHBondContact O-N 3.23Å; R414-I416 HydrophobicContact CB-CD1 4.46Å; R414-I416 HydrophobicContact CB-CG1 4.3Å; R414-I416 HydrophobicContact CG-CD1 4.4Å; R414-I416 HydrophobicContact CG-CG1 3.91Å; R414-I416 PolarHBondContact O-N 3.47Å
415Q95.7Very high90.4Very high89 Ų8973.5 Ų73.542%0.41638%0.383SS..  trans-75113.6168.1-169.4717100109.1S294 L295 C296S294-Q415 VanDerWaalsContact C-NE2 3.34Å; S294-Q415 WeakPolarHBondContact OG-CG 3.46Å; S294-Q415 PolarHBondContact OG-NE2 2.87Å; L295-Q415 PolarHBondContact O-NE2 3.35Å; C296-Q415 HydrophobicContact CB-CB 4.35Å
416I97.3Very high90.1Very high14 Ų1477 Ų777%0.07240%0.401CS..EExtended strand (participates in β ladder)trans-113.8136-179.1-62.2169.1000108.1S294 L295 H404 E407 I408 F411 R414 K418S294-I416 CarbonylContact C-O 3.42Å; S294-I416 WeakPolarHBondContact CA-O 3.18Å; S294-I416 WeakPolarHBondContact CB-O 3.08Å; S294-I416 VanDerWaalsContact OG-C 3.31Å; S294-I416 PolarHBondContact OG-O 2.82Å; L295-I416 PolarHBondContact N-O 2.91Å; L295-I416 PolarHBondContact O-N 3.37Å; H404-I416 PolarHBondContact NE2-O 3.3Å; E407-I416 HydrophobicContact CB-CD1 3.88Å; E407-I416 WeakPolarHBondContact O-CD1 3.41Å; I408-I416 HydrophobicContact CG2-CB 4.26Å; I408-I416 HydrophobicContact CG2-CD1 4.07Å; F411-I416 HydrophobicContact CB-CD1 4.39Å; R414-I416 HydrophobicContact CB-CD1 4.46Å; R414-I416 HydrophobicContact CB-CG1 4.3Å; R414-I416 HydrophobicContact CG-CD1 4.4Å; R414-I416 HydrophobicContact CG-CG1 3.91Å; R414-I416 PolarHBondContact O-N 3.47Å; I416-K418 HydrophobicContact CG2-CG 4.34Å
417A97.1Very high89.9Confident56 Ų5674 Ų7446%0.46339%0.392SS..EExtended strand (participates in β ladder)trans-127.4128.4-178.500000110.5L292 V293 L309L292-A417 HydrophobicContact CD1-CB 4.46Å; V293-A417 WeakPolarHBondContact O-CA 3.36Å; L309-A417 HydrophobicContact CD1-CB 4.25Å
418K95.9Very high89.6Confident60 Ų6074.4 Ų74.426%0.26140%0.396SS..EExtended strand (participates in β ladder)trans-141.6146.7-178.3-65.9-167.6177.3-172.10113L292 V293 H404 E407 I416 H420L292-K418 VanDerWaalsContact CD1-C 3.41Å; L292-K418 WeakPolarHBondContact CD1-O 3.17Å; V293-K418 PolarHBondContact N-O 3.38Å; V293-K418 VanDerWaalsContact N-O 3.16Å; V293-K418 PolarHBondContact O-N 3.32Å; H404-K418 HydrophobicContact CB-CD 3.99Å; E407-K418 IonicContact OE1-NZ 3.3Å; E407-K418 PolarHBondContact OE1-NZ 3.42Å; E407-K418 WeakPolarHBondContact OE2-CE 3.44Å; E407-K418 IonicContact OE2-NZ 3.55Å; E407-K418 PolarHBondContact OE2-NZ 3.48Å; I416-K418 HydrophobicContact CG2-CG 4.34Å; K418-H420 PolarHBondContact O-CD2 3.46Å
419W94.9Very high89.3Confident79 Ų7978.8 Ų78.830%0.29942%0.419SS..EExtended strand (participates in β ladder)trans-78.7138.3166.4-75.2105.9000109.9E290 L292 K310 R312E290-W419 HydrophobicContact CB-CE3 3.77Å; E290-W419 HydrophobicContact CB-CZ3 4.13Å; L292-W419 HydrophobicContact CB-CD2 3.78Å; L292-W419 HydrophobicContact CB-CE3 3.66Å; L292-W419 HydrophobicContact CB-CH2 3.9Å; L292-W419 HydrophobicContact CB-CZ2 4.01Å; L292-W419 HydrophobicContact CB-CZ3 3.71Å; L292-W419 HydrophobicContact CD1-CD2 4.25Å; L292-W419 HydrophobicContact CD1-CG 4.18Å; L292-W419 HydrophobicContact CD2-CZ2 4.14Å; L292-W419 HydrophobicContact CG-CD2 4.45Å; K310-W419 HydrophobicContact CD-CH2 4.26Å; K310-W419 HydrophobicContact CD-CZ2 4.39Å; K310-W419 HydrophobicContact CG-CH2 3.9Å; K310-W419 HydrophobicContact CG-CZ2 4.33Å; R312-W419 HydrophobicContact CB-CH2 4.1Å; R312-W419 HydrophobicContact CB-CZ3 4.34Å; R312-W419 HydrophobicContact CG-CE3 4.45Å; R312-W419 HydrophobicContact CG-CH2 3.64Å; R312-W419 HydrophobicContact CG-CZ2 4.45Å; R312-W419 HydrophobicContact CG-CZ3 3.65Å
420H93.9Very high89.1Confident3 Ų380.3 Ų80.31%0.01442%0.423CS..EExtended strand (participates in β ladder)trans-131142.3171.1-59.5-89.7000110E290 L291 L391 S400 H404 K418E290-H420 CarbonylContact C-O 3.51Å; E290-H420 WeakPolarHBondContact CA-O 3.31Å; E290-H420 WeakPolarHBondContact CB-O 3.42Å; L291-H420 PolarHBondContact N-O 3.21Å; L291-H420 PolarHBondContact O-N 3.07Å; L391-H420 HydrophobicContact CD1-CB 3.55Å; L391-H420 HydrophobicContact CD2-CB 3.76Å; L391-H420 HydrophobicContact CG-CB 4.28Å; S400-H420 PolarHBondContact O-CE1 3.46Å; S400-H420 VanDerWaalsContact O-CE1 3.27Å; S400-H420 PolarHBondContact OG-ND1 3.35Å; H404-H420 AromaticContact CE1-NE2 3.86Å; H404-H420 AromaticContact CG-NE2 3.74Å; H404-H420 AromaticContact ND1-CE1 3.58Å; H404-H420 AromaticContact ND1-NE2 2.89Å; H404-H420 PolarHBondContact ND1-NE2 2.95Å; K418-H420 PolarHBondContact O-CD2 3.46Å
421M90.4Very high88.8Confident133 Ų13379.5 Ų79.566%0.65542%0.418SS*.EExtended strand (participates in β ladder)trans-70.2143.9166.9-60.5-170.6-62.500109.8E290E290-M421 HydrophobicContact CG-CG 4.3Å
422L90.5Very high88.5Confident8 Ų877.9 Ų77.94%0.04242%0.416CS..PPolyproline II helixtrans-89130.4174.1-68.5162000109.8R288 G289 L291 L314 V376 L391R288-L422 HydrophobicContact CB-CB 3.74Å; R288-L422 WeakPolarHBondContact O-CD1 3.46Å; G289-L422 WeakPolarHBondContact O-CB 3.47Å; G289-L422 PolarHBondContact O-N 3.43Å; L291-L422 HydrophobicContact CB-CD1 4.41Å; L291-L422 HydrophobicContact CB-CD2 4.2Å; L291-L422 HydrophobicContact CB-CG 4.37Å; L314-L422 HydrophobicContact CD2-CD1 3.79Å; V376-L422 HydrophobicContact CB-CD1 4.34Å; V376-L422 HydrophobicContact CG2-CD1 3.72Å; V376-L422 HydrophobicContact CG2-CD2 3.81Å; V376-L422 HydrophobicContact CG2-CG 4.46Å; L391-L422 HydrophobicContact CB-CD2 3.95Å
423C84.4Confident88.6Confident82 Ų8280.2 Ų80.255%0.55442%0.423SS*.BIsolated β-bridgetrans-96.2169.5-179.5-60.90000111.7R288 R390R288-C423 WeakPolarHBondContact CD-O 3.33Å; R390-C423 PolarHBondContact N-O 3.28Å; R390-C423 PolarHBondContact O-N 2.94Å
424D70.8Confident88.3Confident126 Ų12673.7 Ų73.767%0.67441%0.409SS*.PPolyproline II helixtrans-58142.2168.8-65.9-64.7000111.8R288R288-D424 IonicContact CZ-OD1 3.71Å; R288-D424 IonicContact NE-OD1 3.72Å; R288-D424 PolarHBondContact NE-OD1 2.89Å; R288-D424 IonicContact NH2-OD1 2.76Å; R288-D424 PolarHBondContact NH2-OD1 2.84Å
425G53.4Low87.7Confident88 Ų8867.1 Ų67.191%0.90740%0.396SS*.  trans-101.50-165.900000114.4

Retrieved 425 of 425 residues in 340 ms (Link to these results)