A0A096M4M1_POEFO Loading...

Endothelial cell-specific molecule 1

AlphaFold DB , UniProt , Accession A0A096M4M1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 200 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
1M35.6Very low37.6Very low250 Ų250160.6 Ų160.6100%1.23287%0.865SS**  0140.90-122.785.698.400108.8
2N33.4Very low38.4Very low154 Ų154165.8 Ų165.882%0.82486%0.862SS**  trans-70168-163-78-40.4000118.4
3R37.2Very low39Very low249 Ų249169.7 Ų169.794%0.9486%0.859SS**  trans98.5136.1149.2-55.1-170.9-173.5160.91.4115.3
4G35Very low39.7Very low74 Ų74165.6 Ų165.676%0.76384%0.84SS**  cis-173158.27.900000111.5
5V42.8Very low40.6Very low138 Ų138161.5 Ų161.584%0.83683%0.829SS**  trans-73.2143.6176.2169.50000110.7
6S37.9Very low41.3Very low116 Ų116160.4 Ų160.481%0.81182%0.82SS**  trans-150.5118158.6-48.10000109.4
7Q40.7Very low42Very low176 Ų176158.5 Ų158.582%0.82281%0.811SS**  trans-68.1168.4170.9-68.8171.4-69.900111.1
8P38.8Very low42.6Very low117 Ų117156 Ų15676%0.7680%0.799SS**  -139.7141.1110.621.8-1000116
9E37.7Very low43.2Very low186 Ų186151.3 Ų151.387%0.86978%0.781SS**  trans68.4106.6133.6-54.8-157.5119.700121.7F11E9-F11 PolarHBondContact O-N 3.23Å
10S36.2Very low43.6Very low118 Ų118150.5 Ų150.583%0.82577%0.773SS**  trans-61.7112.5166.3177.40000111.9R12S10-R12 PolarHBondContact O-N 3.41Å
11F38.6Very low44.1Very low189 Ų189148.4 Ų148.483%0.82976%0.763SS**  trans-87.498.7164.9-162.9-101.3000109E9 R13E9-F11 PolarHBondContact O-N 3.23Å; F11-R13 PolarHBondContact O-N 3.09Å; F11-R13 VanDerWaalsContact O-N 3.09Å
12R46.7Very low44.9Very low222 Ų222141.8 Ų141.884%0.83873%0.732SS**  trans-56.6107.2174.7-173.2-178-88.6170.2-7.7108.9S10 D14S10-R12 PolarHBondContact O-N 3.41Å; R12-D14 PolarHBondContact O-N 3.41Å
13R46.2Very low45.6Very low217 Ų217141 Ų14182%0.81972%0.724SS**  trans-86.4103.3-177.5-152.4180-77.2175.8-4.7108.8F11 P15F11-R13 PolarHBondContact O-N 3.09Å; F11-R13 VanDerWaalsContact O-N 3.09Å; R13-P15 WeakPolarHBondContact O-CD 3.44Å
14D49.2Very low46.3Very low112 Ų112137 Ų13760%0.59972%0.717SS**  trans-66.6118.8179.2-109.7-48.8000111.3R12 Q16R12-D14 PolarHBondContact O-N 3.41Å; D14-Q16 PolarHBondContact O-N 3.43Å
15P53.3Low47Very low104 Ų104139.4 Ų139.468%0.67571%0.712SS**Hα-helixtrans-73.3-9.1-174.127-32.4000114.3R13R13-P15 WeakPolarHBondContact O-CD 3.44Å
16Q52.5Low47.3Very low145 Ų145141.2 Ų141.268%0.67871%0.709SS**Hα-helixtrans-79.3-25.7-179.1-69.1-84.9-15.300112.9D14D14-Q16 PolarHBondContact O-N 3.43Å
17L51.6Low47.5Very low127 Ų127141 Ų14167%0.66571%0.705SS**Hα-helixtrans-79.8-29.5-178.3-15086.1000112.6L21L17-L21 PolarHBondContact O-N 3.48Å
18L53.5Low47.7Very low114 Ų114137 Ų13760%0.59770%0.702SS**Hα-helixtrans-72.7-32-179.2-127.691.7000112.5L22L18-L22 PolarHBondContact O-N 3.35Å
19S54.5Low48.4Very low66 Ų66137.5 Ų137.546%0.46270%0.703SS.*Hα-helixtrans-70.5-37.4179.4-170.40000111.9H23S19-H23 PolarHBondContact O-N 2.83Å; S19-H23 PolarHBondContact O-ND1 3.24Å
20H51.3Low49.1Very low135 Ų135132.9 Ų132.963%0.62569%0.689SS**Hα-helixtrans-72.4-32.9176.7-87.2-67000113.2M24H20-M24 WeakPolarHBondContact O-CG 3.35Å
21L53.6Low50.1Low107 Ų107134 Ų13456%0.5668%0.681SS**Hα-helixtrans-70.4-33.2174.8-104.2118.4000113.1L17L17-L21 PolarHBondContact O-N 3.48Å
22L51.5Low51Low112 Ų112130 Ų13059%0.58667%0.674SS**Hα-helixtrans-68.1-33.6177-113.185.3000113L18L18-L22 PolarHBondContact O-N 3.35Å
23H49Very low51.7Low138 Ų138122.5 Ų122.564%0.63966%0.659SS**Hα-helixtrans-77.4-19.2-179.5-7494.6000113.9S19S19-H23 PolarHBondContact O-N 2.83Å; S19-H23 PolarHBondContact O-ND1 3.24Å
24M52.4Low52.4Low164 Ų164117.4 Ų117.481%0.80865%0.646SS**Hα-helixtrans-89.3-10-179.8-63.8-68.7-9800113.4H20H20-M24 WeakPolarHBondContact O-CG 3.35Å
25L48.7Very low53.4Low125 Ų125114.3 Ų114.365%0.65463%0.633SS**SBendtrans-94.9-7.8179.2-77.3159.9000113.9
26F48.6Very low54.2Low175 Ų175114.7 Ų114.777%0.76863%0.629SS**  trans-127.873.2179-71.5-84.4000111.8
27P42.4Very low55.2Low113 Ų113112.2 Ų112.273%0.73462%0.62SS**  trans-75.913316332.6-27.8000108.5
28A46Very low56.3Low91 Ų91111.5 Ų111.575%0.75262%0.616SS**  trans76.897.1176.600000116P30A28-P30 VanDerWaalsContact O-CD 3.27Å; A28-P30 WeakPolarHBondContact O-CD 3.27Å
29T54.1Low57.3Low127 Ų127110.9 Ų110.978%0.77961%0.613SS**PPolyproline II helixtrans-53.8117.214748.30000108H31T29-H31 PolarHBondContact O-N 2.86Å
30P51.3Low58.2Low90 Ų90111.3 Ų111.358%0.58461%0.613SS**PPolyproline II helixtrans-60.2131.9170.523.8-29.9000107.8A28A28-P30 VanDerWaalsContact O-CD 3.27Å; A28-P30 WeakPolarHBondContact O-CD 3.27Å
31H56.4Low59.2Low142 Ų142108.8 Ų108.866%0.65761%0.607SS**PPolyproline II helixtrans-53.4142173.4-75.755.2000108.6T29 A33 M34 S35T29-H31 PolarHBondContact O-N 2.86Å; H31-A33 PolarHBondContact O-N 3.07Å; H31-M34 PolarHBondContact O-N 2.96Å; H31-S35 PolarHBondContact O-N 2.99Å; H31-S35 VanDerWaalsContact O-N 3.07Å
32P58.7Low59.9Low104 Ų104108 Ų10868%0.67560%0.603SS**Hα-helixtrans-54.7-32-174.821-32.5000111.9L36P32-L36 WeakPolarHBondContact O-CB 3.4Å; P32-L36 WeakPolarHBondContact O-CD1 3.48Å; P32-L36 PolarHBondContact O-N 3.3Å
33A60.6Low60.6Low64 Ų64106 Ų10653%0.52960%0.598SS.*Hα-helixtrans-65.1-42.7174.300000114H31 L37H31-A33 PolarHBondContact O-N 3.07Å; A33-L37 WeakPolarHBondContact O-CB 3.4Å; A33-L37 WeakPolarHBondContact O-CD1 3.44Å; A33-L37 VanDerWaalsContact O-CG 3.24Å; A33-L37 WeakPolarHBondContact O-CG 3.49Å; A33-L37 PolarHBondContact O-N 2.96Å
34M61.5Low61.2Low110 Ų110102.6 Ų102.654%0.54259%0.59SS.*Hα-helixtrans-72.1-33.7178.3-81.5-84.98900112.1H31 L37 L38H31-M34 PolarHBondContact O-N 2.96Å; M34-L37 HydrophobicContact CE-CB 4.17Å; M34-L37 HydrophobicContact CE-CD1 3.33Å; M34-L37 HydrophobicContact CE-CG 4.39Å; M34-L37 PolarHBondContact O-N 3.27Å; M34-L38 WeakPolarHBondContact O-CB 3.31Å; M34-L38 PolarHBondContact O-N 2.98Å
35S70.4Confident61.4Low47 Ų4799.9 Ų99.933%0.32958%0.578SS.*Hα-helixtrans-69.3-41.8173.9-177.50000111.9H31 L38 L39H31-S35 PolarHBondContact O-N 2.99Å; H31-S35 VanDerWaalsContact O-N 3.07Å; S35-L38 PolarHBondContact O-N 2.94Å; S35-L39 WeakPolarHBondContact O-CB 3.4Å; S35-L39 VanDerWaalsContact O-CG 3.26Å; S35-L39 WeakPolarHBondContact O-CG 3.12Å; S35-L39 PolarHBondContact O-N 3.45Å
36L70.8Confident61.6Low113 Ų113100.1 Ų100.159%0.59258%0.577SS**Hα-helixtrans-62.2-42.9172.1-98.193.2000111.8P32 L39 T40P32-L36 WeakPolarHBondContact O-CB 3.4Å; P32-L36 WeakPolarHBondContact O-CD1 3.48Å; P32-L36 PolarHBondContact O-N 3.3Å; L36-L39 PolarHBondContact O-N 3.4Å; L36-T40 VanDerWaalsContact O-CG2 3.31Å; L36-T40 WeakPolarHBondContact O-CG2 3.24Å; L36-T40 PolarHBondContact O-N 3.49Å; L36-T40 PolarHBondContact O-OG1 2.92Å
37L73.1Confident61.8Low92 Ų9298.3 Ų98.348%0.48258%0.575SS.*Hα-helixtrans-62.3-44.6177.6-76.2163.3000111.2A33 M34 L39 T40 V41A33-L37 WeakPolarHBondContact O-CB 3.4Å; A33-L37 WeakPolarHBondContact O-CD1 3.44Å; A33-L37 VanDerWaalsContact O-CG 3.24Å; A33-L37 WeakPolarHBondContact O-CG 3.49Å; A33-L37 PolarHBondContact O-N 2.96Å; M34-L37 HydrophobicContact CE-CB 4.17Å; M34-L37 HydrophobicContact CE-CD1 3.33Å; M34-L37 HydrophobicContact CE-CG 4.39Å; M34-L37 PolarHBondContact O-N 3.27Å; L37-L39 VanDerWaalsContact C-N 3.35Å; L37-L39 PolarHBondContact O-N 2.83Å; L37-T40 WeakPolarHBondContact CA-OG1 3.42Å; L37-T40 PolarHBondContact O-N 2.83Å; L37-T40 PolarHBondContact O-OG1 3.5Å; L37-V41 WeakPolarHBondContact O-CB 3.34Å; L37-V41 VanDerWaalsContact O-CG2 3.27Å; L37-V41 WeakPolarHBondContact O-CG2 3.29Å; L37-V41 PolarHBondContact O-N 3.28Å
38L74.1Confident62.1Low113 Ų11399.5 Ų99.559%0.59257%0.57SS**Hα-helixtrans-60.6-44.1175-128.594.1000111.9M34 S35 V41 L42M34-L38 WeakPolarHBondContact O-CB 3.31Å; M34-L38 PolarHBondContact O-N 2.98Å; S35-L38 PolarHBondContact O-N 2.94Å; L38-V41 PolarHBondContact O-N 2.65Å; L38-L42 HydrophobicContact CD2-CD1 4.15Å; L38-L42 HydrophobicContact CG-CD1 4.49Å; L38-L42 VanDerWaalsContact O-CB 3.27Å; L38-L42 WeakPolarHBondContact O-CB 3.26Å; L38-L42 WeakPolarHBondContact O-CD1 3.49Å; L38-L42 VanDerWaalsContact O-CG 3.26Å; L38-L42 WeakPolarHBondContact O-CG 3.27Å; L38-L42 PolarHBondContact O-N 3.27Å
39L73.8Confident61.9Low101 Ų10199.4 Ų99.453%0.52956%0.557SS.*Hα-helixtrans-62.8-43.2176.8-73.4166.3000111.3S35 L36 L37 V41 L42 S43S35-L39 WeakPolarHBondContact O-CB 3.4Å; S35-L39 VanDerWaalsContact O-CG 3.26Å; S35-L39 WeakPolarHBondContact O-CG 3.12Å; S35-L39 PolarHBondContact O-N 3.45Å; L36-L39 PolarHBondContact O-N 3.4Å; L37-L39 VanDerWaalsContact C-N 3.35Å; L37-L39 PolarHBondContact O-N 2.83Å; L39-V41 PolarHBondContact O-N 2.89Å; L39-L42 PolarHBondContact O-N 2.92Å; L39-S43 VanDerWaalsContact O-CB 3.28Å; L39-S43 WeakPolarHBondContact O-CB 3.26Å; L39-S43 PolarHBondContact O-N 2.77Å; L39-S43 PolarHBondContact O-OG 3.25Å
40T73.4Confident61.7Low74 Ų7497.5 Ų97.545%0.45455%0.545SS..Hα-helixtrans-65.1-39.4176.757.50000112.4L36 L37 S44L36-T40 VanDerWaalsContact O-CG2 3.31Å; L36-T40 WeakPolarHBondContact O-CG2 3.24Å; L36-T40 PolarHBondContact O-N 3.49Å; L36-T40 PolarHBondContact O-OG1 2.92Å; L37-T40 WeakPolarHBondContact CA-OG1 3.42Å; L37-T40 PolarHBondContact O-N 2.83Å; L37-T40 PolarHBondContact O-OG1 3.5Å; T40-S44 WeakPolarHBondContact O-CB 3.27Å; T40-S44 PolarHBondContact O-N 3.41Å; T40-S44 PolarHBondContact O-OG 3.37Å
41V72.6Confident61.3Low83 Ų8399.8 Ų99.850%0.50355%0.548SS..Hα-helixtrans-68.1-44.3176.5172.50000110.5L37 L38 L39 S44 L45L37-V41 WeakPolarHBondContact O-CB 3.34Å; L37-V41 VanDerWaalsContact O-CG2 3.27Å; L37-V41 WeakPolarHBondContact O-CG2 3.29Å; L37-V41 PolarHBondContact O-N 3.28Å; L38-V41 PolarHBondContact O-N 2.65Å; L39-V41 PolarHBondContact O-N 2.89Å; V41-S44 WeakPolarHBondContact O-CB 3.28Å; V41-S44 PolarHBondContact O-N 2.98Å; V41-L45 HydrophobicContact CG1-CD1 4.02Å; V41-L45 VanDerWaalsContact O-CD1 3.26Å; V41-L45 WeakPolarHBondContact O-CD1 3.26Å; V41-L45 PolarHBondContact O-N 2.78Å
42L68.1Low60.8Low91 Ų9195.9 Ų95.948%0.47654%0.541SS..Hα-helixtrans-64-42.3175.7-76.3161.6000111.9L38 L39 S44 L45 M46L38-L42 HydrophobicContact CD2-CD1 4.15Å; L38-L42 HydrophobicContact CG-CD1 4.49Å; L38-L42 VanDerWaalsContact O-CB 3.27Å; L38-L42 WeakPolarHBondContact O-CB 3.26Å; L38-L42 WeakPolarHBondContact O-CD1 3.49Å; L38-L42 VanDerWaalsContact O-CG 3.26Å; L38-L42 WeakPolarHBondContact O-CG 3.27Å; L38-L42 PolarHBondContact O-N 3.27Å; L39-L42 PolarHBondContact O-N 2.92Å; L42-S44 VanDerWaalsContact C-N 3.32Å; L42-S44 PolarHBondContact O-N 3.45Å; L42-L45 PolarHBondContact O-N 2.64Å; L42-M46 VanDerWaalsContact O-CG 3.29Å; L42-M46 WeakPolarHBondContact O-CG 3.37Å; L42-M46 PolarHBondContact O-N 3.06Å
43S67.3Low60.3Low69 Ų6999.8 Ų99.848%0.48354%0.542SS..Hα-helixtrans-63.4-38.2173.4-660000111.7L39 L45 M46 L47L39-S43 VanDerWaalsContact O-CB 3.28Å; L39-S43 WeakPolarHBondContact O-CB 3.26Å; L39-S43 PolarHBondContact O-N 2.77Å; L39-S43 PolarHBondContact O-OG 3.25Å; S43-L45 VanDerWaalsContact C-N 3.35Å; S43-M46 PolarHBondContact O-N 3.28Å; S43-L47 WeakPolarHBondContact O-CB 3.49Å; S43-L47 WeakPolarHBondContact O-CD1 3.2Å; S43-L47 PolarHBondContact O-N 2.91Å
44S60.9Low59.6Low66 Ų66100.4 Ų100.446%0.46254%0.543SS..Hα-helixtrans-67.3-34.5175.7-55.40000112.4T40 V41 L42 H48T40-S44 WeakPolarHBondContact O-CB 3.27Å; T40-S44 PolarHBondContact O-N 3.41Å; T40-S44 PolarHBondContact O-OG 3.37Å; V41-S44 WeakPolarHBondContact O-CB 3.28Å; V41-S44 PolarHBondContact O-N 2.98Å; L42-S44 VanDerWaalsContact C-N 3.32Å; L42-S44 PolarHBondContact O-N 3.45Å; S44-H48 PolarHBondContact O-ND1 3.41Å
45L56.2Low58.7Low108 Ų108100.4 Ų100.457%0.56556%0.56SS**Hα-helixtrans-71.4-38.2173.1-97.380000112.1V41 L42 S43 L47 H48V41-L45 HydrophobicContact CG1-CD1 4.02Å; V41-L45 VanDerWaalsContact O-CD1 3.26Å; V41-L45 WeakPolarHBondContact O-CD1 3.26Å; V41-L45 PolarHBondContact O-N 2.78Å; L42-L45 PolarHBondContact O-N 2.64Å; S43-L45 VanDerWaalsContact C-N 3.35Å; L45-L47 VanDerWaalsContact C-N 3.27Å; L45-L47 PolarHBondContact O-N 3.17Å; L45-H48 PolarHBondContact O-N 3.43Å
46M54.2Low57.8Low130 Ų13099.8 Ų99.864%0.6456%0.561SS**Hα-helixtrans-74.7-14176.8-66.8-70.8102.300113.5L42 S43 H48L42-M46 VanDerWaalsContact O-CG 3.29Å; L42-M46 WeakPolarHBondContact O-CG 3.37Å; L42-M46 PolarHBondContact O-N 3.06Å; S43-M46 PolarHBondContact O-N 3.28Å; M46-H48 VanDerWaalsContact C-N 3.26Å
47L52Low57Low136 Ų13696.1 Ų96.171%0.71254%0.543SS*.THydrogen-bonded Turntrans-80.3-3.7171.8-101.1139.9000113.5S43 L45S43-L47 WeakPolarHBondContact O-CB 3.49Å; S43-L47 WeakPolarHBondContact O-CD1 3.2Å; S43-L47 PolarHBondContact O-N 2.91Å; L45-L47 VanDerWaalsContact C-N 3.27Å; L45-L47 PolarHBondContact O-N 3.17Å
48H48.3Very low56.2Low138 Ų13899.9 Ų99.964%0.63956%0.556SS**THydrogen-bonded Turntrans-98.8-0.7176.4-74.687.9000114.3S44 L45 M46 V50 R66S44-H48 PolarHBondContact O-ND1 3.41Å; L45-H48 PolarHBondContact O-N 3.43Å; M46-H48 VanDerWaalsContact C-N 3.26Å; H48-V50 PolarHBondContact O-N 3.12Å; H48-R66 PolarHBondContact O-NH1 2.92Å
49D42.2Very low55.7Low89 Ų8996.8 Ų96.848%0.47654%0.536SS..  trans-87.175.9159.9-68.5-34.2000107E51 R66D49-E51 PolarHBondContact O-N 3.48Å; D49-R66 IonicContact OD1-CZ 3.25Å; D49-R66 IonicContact OD1-NH1 2.73Å; D49-R66 PolarHBondContact OD1-NH1 3.24Å; D49-R66 VanDerWaalsContact OD1-NH1 3.16Å; D49-R66 IonicContact OD1-NH2 2.84Å; D49-R66 PolarHBondContact OD1-NH2 3.08Å
50V50.1Low55.2Low88 Ų8897.1 Ų97.153%0.53355%0.554SS.*  trans-62.590.5152.6-175.90000104H48 A52H48-V50 PolarHBondContact O-N 3.12Å; V50-A52 PolarHBondContact O-N 2.86Å
51E42.8Very low55.2Low137 Ų13795 Ų9564%0.6454%0.541SS*.  trans-40.1124.3169.3-177.4166-158.900107.5D49 W53D49-E51 PolarHBondContact O-N 3.48Å; E51-W53 PolarHBondContact O-N 3.31Å; E51-W53 PolarHBondContact OE2-NE1 3.44Å
52A45.1Very low55.5Low61 Ų6199 Ų9950%0.50456%0.56SS.*  trans-5994.7173.300000106.5V50 S54V50-A52 PolarHBondContact O-N 2.86Å; A52-S54 PolarHBondContact O-N 3.01Å
53W48.9Very low56.1Low185 Ų18596.9 Ų96.970%0.70155%0.552SS**  trans-77.571.4-174.8-73.2-25.2000109E51 A55E51-W53 PolarHBondContact O-N 3.31Å; E51-W53 PolarHBondContact OE2-NE1 3.44Å; W53-A55 VanDerWaalsContact C-N 3.33Å
54S45.4Very low56.8Low78 Ų7897.1 Ų97.155%0.54555%0.551SS.*  trans-92.48.9174.962.80000112.7A52 G56 V57A52-S54 PolarHBondContact O-N 3.01Å; S54-G56 PolarHBondContact O-N 2.03Å; S54-V57 PolarHBondContact O-N 3.35Å; S54-V57 VanDerWaalsContact O-N 3.16Å
55A43.1Very low57.9Low110 Ų110101.6 Ų101.691%0.90957%0.57SS**THydrogen-bonded Turntrans-61.711.4-173.300000115.8W53W53-A55 VanDerWaalsContact C-N 3.33Å
56G52.1Low59.2Low33 Ų33103.9 Ų103.934%0.3457%0.571SS.*THydrogen-bonded Turntrans-154.818173.100000115.7S54 K58 R147S54-G56 PolarHBondContact O-N 2.03Å; G56-K58 PolarHBondContact O-N 3Å; G56-R147 PolarHBondContact O-NH1 2.88Å; G56-R147 VanDerWaalsContact O-NH1 3.1Å; G56-R147 PolarHBondContact O-NH2 3.05Å
57V53.8Low60.7Low37 Ų37100.5 Ų100.522%0.22456%0.56CS.*  trans-74.7119177.8-164.30000109.3S54 Y59 V61S54-V57 PolarHBondContact O-N 3.35Å; S54-V57 VanDerWaalsContact O-N 3.16Å; V57-Y59 HydrophobicContact CG1-CD2 3.77Å; V57-Y59 HydrophobicContact CG1-CE2 3.76Å; V57-Y59 HydrophobicContact CG1-CG 4.28Å; V57-Y59 WeakPolarHBondContact CG1-O 3.49Å; V57-Y59 PolarHBondContact O-N 3.31Å; V57-V61 HydrophobicContact CG1-CG1 4.32Å; V57-V61 HydrophobicContact CG1-CG2 3.9Å; V57-V61 HydrophobicContact CG2-CG2 4.48Å
58K56.4Low62.4Low171 Ų17196.5 Ų96.574%0.74354%0.543SS*.SBendtrans-77.9-3.5-177.3-73.1-179.8176.1166.10113.6G56G56-K58 PolarHBondContact O-N 3Å
59Y63.6Low64.2Low47 Ų4794.5 Ų94.518%0.18454%0.541CS..SBendtrans-146.5156.6-171.138-94.4000110.7V57 V61 D85 R102 T103 K111V57-Y59 HydrophobicContact CG1-CD2 3.77Å; V57-Y59 HydrophobicContact CG1-CE2 3.76Å; V57-Y59 HydrophobicContact CG1-CG 4.28Å; V57-Y59 WeakPolarHBondContact CG1-O 3.49Å; V57-Y59 PolarHBondContact O-N 3.31Å; Y59-V61 HydrophobicContact CD2-CG1 3.59Å; Y59-V61 HydrophobicContact CE2-CG1 3.76Å; Y59-V61 PolarHBondContact O-N 3.27Å; Y59-D85 HydrophobicContact CE2-CB 4.49Å; Y59-D85 VanDerWaalsContact CE2-OD1 3.32Å; Y59-D85 WeakPolarHBondContact CE2-OD1 3.2Å; Y59-D85 PolarHBondContact OH-OD1 3.43Å; Y59-R102 HydrophobicContact CD1-CG 4.13Å; Y59-R102 HydrophobicContact CE1-CG 4.31Å; Y59-R102 WeakPolarHBondContact CE1-O 3.44Å; Y59-R102 WeakPolarHBondContact CE2-O 2.97Å; Y59-R102 PolarHBondContact OH-O 3.06Å; Y59-T103 HydrophobicContact CD2-CG2 3.32Å; Y59-T103 HydrophobicContact CE2-CG2 3.56Å; Y59-T103 HydrophobicContact CG-CG2 4.14Å; Y59-K111 PolarHBondContact OH-NZ 3.06Å
60A62.8Low66.4Low108 Ų10897.7 Ų97.789%0.89356%0.558SS**  trans-74.3112.2-179.100000110.2
61V73.1Confident68Low31 Ų31103.4 Ų103.419%0.18857%0.569CS.*  trans-117.9138.8171.1-64.70000109V57 Y59 C63 D85 T103V57-V61 HydrophobicContact CG1-CG1 4.32Å; V57-V61 HydrophobicContact CG1-CG2 3.9Å; V57-V61 HydrophobicContact CG2-CG2 4.48Å; Y59-V61 HydrophobicContact CD2-CG1 3.59Å; Y59-V61 HydrophobicContact CE2-CG1 3.76Å; Y59-V61 PolarHBondContact O-N 3.27Å; V61-C63 VanDerWaalsContact CG2-SG 3.51Å; V61-C63 PolarHBondContact O-N 3.22Å; V61-D85 HydrophobicContact CB-CB 4.42Å; V61-D85 HydrophobicContact CG1-CB 3.92Å; V61-D85 HydrophobicContact CG2-CB 4.31Å; V61-T103 HydrophobicContact CG1-CG2 3.99Å
62N78.6Confident70Confident167 Ų16798.4 Ų98.489%0.89355%0.549SS*.  trans-88.990.1174.9-75.7-37.7000109.2
63C80.8Confident71.8Confident46 Ų4698.3 Ų98.331%0.31155%0.554SS.*  trans-89.3144.6176-64.50000111.6V61 C86V61-C63 VanDerWaalsContact CG2-SG 3.51Å; V61-C63 PolarHBondContact O-N 3.22Å; C63-C86 WeakPolarHBondContact CA-SG 3.49Å; C63-C86 HydrophobicContact CB-CB 3.72Å; C63-C86 WeakPolarHBondContact CB-SG 3.45Å; C63-C86 WeakPolarHBondContact SG-CA 2.98Å; C63-C86 WeakPolarHBondContact SG-CB 3.14Å; C63-C86 CovalentContact SG-SG 2.04Å; C63-C86 PolarHBondContact SG-SG 3.39Å
64P82.7Confident73.1Confident73 Ų7394.9 Ų94.947%0.47455%0.55SS..  trans-66150.8172.729.4-34.3000110.9R66P64-R66 PolarHBondContact O-N 3.48Å; P64-R66 VanDerWaalsContact O-N 3.13Å
65D83.4Confident74.8Confident160 Ų16092 Ų9286%0.85653%0.531SS*.SBendtrans-59.5-26.7179.2-60.2-47.9000113
66R84.3Confident76.4Confident157 Ų15795.2 Ų95.259%0.59253%0.527SS*.SBendtrans-134139.6178.2-66.5-176.9176.9-92.5-11110.7H48 D49 P64H48-R66 PolarHBondContact O-NH1 2.92Å; D49-R66 IonicContact OD1-CZ 3.25Å; D49-R66 IonicContact OD1-NH1 2.73Å; D49-R66 PolarHBondContact OD1-NH1 3.24Å; D49-R66 VanDerWaalsContact OD1-NH1 3.16Å; D49-R66 IonicContact OD1-NH2 2.84Å; D49-R66 PolarHBondContact OD1-NH2 3.08Å; P64-R66 PolarHBondContact O-N 3.48Å; P64-R66 VanDerWaalsContact O-N 3.13Å
67C85.6Confident77.9Confident59 Ų59104.8 Ų104.840%0.39955%0.553SS.*  trans-74.2132171.7176.40000110.8C88C67-C88 WeakPolarHBondContact CA-SG 3.42Å; C67-C88 HydrophobicContact CB-CB 3.73Å; C67-C88 WeakPolarHBondContact CB-SG 3.4Å; C67-C88 WeakPolarHBondContact SG-CA 3.45Å; C67-C88 WeakPolarHBondContact SG-CB 3.39Å; C67-C88 CovalentContact SG-SG 2.04Å; C67-C88 PolarHBondContact SG-SG 2.68Å
68S87.8Confident79.4Confident51 Ų51104.1 Ų104.136%0.35755%0.55SS..  trans-129.596.4175.2-1800000108.8D70 R71S68-D70 PolarHBondContact O-N 2.85Å; S68-R71 WeakPolarHBondContact O-CB 3.17Å; S68-R71 PolarHBondContact O-N 3.06Å
69V86.3Confident80.8Confident97 Ų97103.3 Ų103.359%0.58856%0.559SS**G310 helixtrans-61.4-26.8-174.7-650000113.7R71 C72V69-R71 PolarHBondContact O-N 2.86Å; V69-R71 VanDerWaalsContact O-N 3.12Å; V69-C72 WeakPolarHBondContact O-CB 3.26Å; V69-C72 PolarHBondContact O-N 3.13Å; V69-C72 PolarHBondContact O-SG 3.5Å
70D87.2Confident82Confident156 Ų156104.5 Ų104.583%0.83456%0.563SS**G310 helixtrans-64.8-15.4175.9-55.7-50.2000113.3S68S68-D70 PolarHBondContact O-N 2.85Å
71R84.8Confident83.3Confident207 Ų207102 Ų10278%0.78154%0.537SS*.G310 helixtrans-95.6-3176.3-60-177.465.1-164.3-2.4112.6S68 V69S68-R71 WeakPolarHBondContact O-CB 3.17Å; S68-R71 PolarHBondContact O-N 3.06Å; V69-R71 PolarHBondContact O-N 2.86Å; V69-R71 VanDerWaalsContact O-N 3.12Å
72C85.3Confident84.1Confident32 Ų32101 Ų10122%0.21653%0.531CS..SBendtrans-72.4146.3176.2-620000110.7V69 C89V69-C72 WeakPolarHBondContact O-CB 3.26Å; V69-C72 PolarHBondContact O-N 3.13Å; V69-C72 PolarHBondContact O-SG 3.5Å; C72-C89 WeakPolarHBondContact CA-SG 3.42Å; C72-C89 HydrophobicContact CB-CB 3.67Å; C72-C89 WeakPolarHBondContact CB-SG 3.06Å; C72-C89 WeakPolarHBondContact SG-CA 3.32Å; C72-C89 WeakPolarHBondContact SG-CB 3.39Å; C72-C89 CovalentContact SG-SG 2.03Å; C72-C89 PolarHBondContact SG-SG 2.88Å
73G81.1Confident84.6Confident59 Ų5997 Ų9761%0.60851%0.509SS*.  trans-69.1169.7168.700000111.8A75G73-A75 PolarHBondContact O-N 3.04Å
74D77.8Confident84.8Confident114 Ų11496.3 Ų96.361%0.6150%0.502SS*.  trans-83.3114.3178.7-174.314.9000111.6Q76D74-Q76 WeakPolarHBondContact OD1-CB 3.43Å; D74-Q76 WeakPolarHBondContact OD1-CG 3.06Å; D74-Q76 PolarHBondContact OD1-N 3.31Å
75A80Confident84.8Confident18 Ų1893.4 Ų93.415%0.14948%0.483CS..  trans-96.76.1173.300000113.3G73 R77 C78 T81 Q90G73-A75 PolarHBondContact O-N 3.04Å; A75-R77 PolarHBondContact O-N 3.21Å; A75-C78 WeakPolarHBondContact O-CB 3.44Å; A75-C78 PolarHBondContact O-N 3.18Å; A75-C78 PolarHBondContact O-SG 2.84Å; A75-T81 HydrophobicContact CB-CG2 3.84Å; A75-Q90 HydrophobicContact CB-CB 4.24Å; A75-Q90 WeakPolarHBondContact CB-O 3.28Å
76Q76.1Confident84.7Confident177 Ų17787.2 Ų87.283%0.82745%0.452SS*.THydrogen-bonded Turntrans-62.2-18.3-177.6-74-167.1-7.300114.2D74D74-Q76 WeakPolarHBondContact OD1-CB 3.43Å; D74-Q76 WeakPolarHBondContact OD1-CG 3.06Å; D74-Q76 PolarHBondContact OD1-N 3.31Å
77R84Confident84.7Confident233 Ų23381.6 Ų81.688%0.87944%0.442SS*.THydrogen-bonded Turntrans-86.6-7.8177.2-64-175.4176.9179.5-0.6113.9A75A75-R77 PolarHBondContact O-N 3.21Å
78C85.2Confident84.7Confident24 Ų2479.8 Ų79.816%0.16243%0.43CS..  trans-80.3133.7-179.3-44.90000110A75 R80 T81 C92A75-C78 WeakPolarHBondContact O-CB 3.44Å; A75-C78 PolarHBondContact O-N 3.18Å; A75-C78 PolarHBondContact O-SG 2.84Å; C78-R80 WeakPolarHBondContact CB-O 3.09Å; C78-R80 PolarHBondContact O-N 3.5Å; C78-T81 HydrophobicContact CB-CG2 3.81Å; C78-C92 HydrophobicContact CB-CB 3.8Å; C78-C92 WeakPolarHBondContact CB-SG 3.35Å; C78-C92 WeakPolarHBondContact SG-CA 3.49Å; C78-C92 WeakPolarHBondContact SG-CB 3.42Å; C78-C92 PolarHBondContact SG-N 3.16Å; C78-C92 CovalentContact SG-SG 2.02Å; C78-C92 PolarHBondContact SG-SG 2.82Å
79T87.6Confident84.6Confident153 Ų15378.4 Ų78.494%0.93942%0.42SS*.SBendtrans-59.3-29.7168.6-54.30000111.8
80R88.6Confident84.7Confident72 Ų7278.3 Ų78.327%0.27241%0.413SS..SBendtrans-152147.8-178.956.9-176.1-156.9162.413.4111C78 A93 A94 G95C78-R80 WeakPolarHBondContact CB-O 3.09Å; C78-R80 PolarHBondContact O-N 3.5Å; R80-A93 HydrophobicContact CG-CB 4.02Å; R80-A93 VanDerWaalsContact CG-O 3.26Å; R80-A93 WeakPolarHBondContact CG-O 3.44Å; R80-A93 PolarHBondContact NE-O 3.1Å; R80-A93 PolarHBondContact O-N 3.23Å; R80-A94 PolarHBondContact NH2-O 2.81Å; R80-G95 VanDerWaalsContact NH2-N 3.11Å
81T90.2Very high84.6Confident57 Ų5772 Ų7235%0.3538%0.381SS..EExtended strand (participates in β ladder)trans-129.4154.8-178.865.20000112.4A75 C78 Q90 V91A75-T81 HydrophobicContact CB-CG2 3.84Å; C78-T81 HydrophobicContact CB-CG2 3.81Å; T81-Q90 PolarHBondContact OG1-OE1 2.81Å; T81-V91 CarbonylContact C-O 3.53Å; T81-V91 WeakPolarHBondContact CA-O 3.04Å; T81-V91 VanDerWaalsContact CB-O 3.31Å; T81-V91 WeakPolarHBondContact CB-O 3.41Å
82V89.9Confident84.8Confident9 Ų964.8 Ų64.86%0.05536%0.361CS..EExtended strand (participates in β ladder)trans-136.2167.9167.9-67.60000108.9Q90 V91 A93 K111 V144V82-Q90 WeakPolarHBondContact O-CA 3.41Å; V82-Q90 PolarHBondContact O-OE1 3.21Å; V82-V91 HydrophobicContact CG2-CG2 4.21Å; V82-V91 PolarHBondContact N-O 3.38Å; V82-V91 WeakPolarHBondContact O-CG2 3.36Å; V82-V91 PolarHBondContact O-N 3.39Å; V82-A93 HydrophobicContact CB-CB 4.33Å; V82-A93 HydrophobicContact CG1-CB 3.77Å; V82-A93 HydrophobicContact CG2-CB 3.85Å; V82-K111 HydrophobicContact CG2-CB 3.81Å; V82-K111 HydrophobicContact CG2-CD 4.33Å; V82-K111 HydrophobicContact CG2-CG 4.45Å; V82-V144 HydrophobicContact CG1-CG2 3.82Å
83L87.8Confident85.1Confident84 Ų8463.8 Ų63.844%0.4436%0.355SS..EExtended strand (participates in β ladder)trans-71.6147.1172.7-67.4173000111.2C89 K111L83-C89 CarbonylContact C-O 3.45Å; L83-C89 WeakPolarHBondContact CA-O 3.36Å; L83-K111 WeakPolarHBondContact O-CD 3.4Å
84D85.1Confident85.6Confident30 Ų3061 Ų6116%0.1633%0.327CS..  trans-61.4176.8167.468.910000112.1C86 G87 C88 C89 V91D84-C86 PolarHBondContact O-N 2.99Å; D84-C86 VanDerWaalsContact OD1-C 3.31Å; D84-C86 WeakPolarHBondContact OD1-CA 3.03Å; D84-C86 PolarHBondContact OD1-N 2.71Å; D84-G87 PolarHBondContact O-N 2.82Å; D84-G87 PolarHBondContact OD1-N 2.96Å; D84-C88 PolarHBondContact OD1-N 3.39Å; D84-C89 HydrophobicContact CB-CB 4.49Å; D84-C89 PolarHBondContact N-O 3.18Å; D84-C89 PolarHBondContact OD1-N 3.2Å; D84-C89 WeakPolarHBondContact OD2-CB 3.15Å; D84-C89 PolarHBondContact OD2-N 2.69Å; D84-C89 VanDerWaalsContact OD2-N 3.09Å; D84-V91 HydrophobicContact CB-CG1 4.13Å
85D82.5Confident86.3Confident12 Ų1256 Ų566%0.06430%0.302CS..THydrogen-bonded Turntrans-62.3-22.4178.3-79.6-50.4000115.1Y59 V61 V104 K111Y59-D85 HydrophobicContact CE2-CB 4.49Å; Y59-D85 VanDerWaalsContact CE2-OD1 3.32Å; Y59-D85 WeakPolarHBondContact CE2-OD1 3.2Å; Y59-D85 PolarHBondContact OH-OD1 3.43Å; V61-D85 HydrophobicContact CB-CB 4.42Å; V61-D85 HydrophobicContact CG1-CB 3.92Å; V61-D85 HydrophobicContact CG2-CB 4.31Å; D85-V104 PolarHBondContact OD2-N 3.47Å; D85-K111 IonicContact OD1-NZ 2.94Å; D85-K111 PolarHBondContact OD1-NZ 2.02Å; D85-K111 IonicContact OD2-NZ 2.63Å; D85-K111 PolarHBondContact OD2-NZ 3.36Å
86C82.8Confident87Confident31 Ų3162.4 Ų62.421%0.20932%0.322CS..THydrogen-bonded Turntrans-90-4.8178.7-60.80000112.7C63 D84 C88C63-C86 WeakPolarHBondContact CA-SG 3.49Å; C63-C86 HydrophobicContact CB-CB 3.72Å; C63-C86 WeakPolarHBondContact CB-SG 3.45Å; C63-C86 WeakPolarHBondContact SG-CA 2.98Å; C63-C86 WeakPolarHBondContact SG-CB 3.14Å; C63-C86 CovalentContact SG-SG 2.04Å; C63-C86 PolarHBondContact SG-SG 3.39Å; D84-C86 PolarHBondContact O-N 2.99Å; D84-C86 VanDerWaalsContact OD1-C 3.31Å; D84-C86 WeakPolarHBondContact OD1-CA 3.03Å; D84-C86 PolarHBondContact OD1-N 2.71Å; C86-C88 PolarHBondContact O-N 3.07Å
87G83.3Confident87.8Confident38 Ų3858.6 Ų58.639%0.39231%0.308SS..SBendtrans70.115.7-175.900000114.2D84D84-G87 PolarHBondContact O-N 2.82Å; D84-G87 PolarHBondContact OD1-N 2.96Å
88C85.8Confident88.2Confident21 Ų2152.6 Ų52.614%0.14229%0.29CS..  trans-104.3-59.5-170.8-178.10000112.5C67 D84 C86C67-C88 WeakPolarHBondContact CA-SG 3.42Å; C67-C88 HydrophobicContact CB-CB 3.73Å; C67-C88 WeakPolarHBondContact CB-SG 3.4Å; C67-C88 WeakPolarHBondContact SG-CA 3.45Å; C67-C88 WeakPolarHBondContact SG-CB 3.39Å; C67-C88 CovalentContact SG-SG 2.04Å; C67-C88 PolarHBondContact SG-SG 2.68Å; D84-C88 PolarHBondContact OD1-N 3.39Å; C86-C88 PolarHBondContact O-N 3.07Å
89C85.6Confident88.4Confident22 Ų2256.2 Ų56.215%0.14930%0.304CS..SBendtrans-94142.1-173.5-63.10000112.2C72 L83 D84C72-C89 WeakPolarHBondContact CA-SG 3.42Å; C72-C89 HydrophobicContact CB-CB 3.67Å; C72-C89 WeakPolarHBondContact CB-SG 3.06Å; C72-C89 WeakPolarHBondContact SG-CA 3.32Å; C72-C89 WeakPolarHBondContact SG-CB 3.39Å; C72-C89 CovalentContact SG-SG 2.03Å; C72-C89 PolarHBondContact SG-SG 2.88Å; L83-C89 CarbonylContact C-O 3.45Å; L83-C89 WeakPolarHBondContact CA-O 3.36Å; D84-C89 HydrophobicContact CB-CB 4.49Å; D84-C89 PolarHBondContact N-O 3.18Å; D84-C89 PolarHBondContact OD1-N 3.2Å; D84-C89 WeakPolarHBondContact OD2-CB 3.15Å; D84-C89 PolarHBondContact OD2-N 2.69Å; D84-C89 VanDerWaalsContact OD2-N 3.09Å
90Q87.8Confident88.4Confident95 Ų9549 Ų4944%0.44426%0.259SS..EExtended strand (participates in β ladder)trans-74.3129164.5-68.5-72-4.200108.9A75 T81 V82A75-Q90 HydrophobicContact CB-CB 4.24Å; A75-Q90 WeakPolarHBondContact CB-O 3.28Å; T81-Q90 PolarHBondContact OG1-OE1 2.81Å; V82-Q90 WeakPolarHBondContact O-CA 3.41Å; V82-Q90 PolarHBondContact O-OE1 3.21Å
91V86.1Confident88.2Confident25 Ų2549 Ų4915%0.15226%0.26CS..EExtended strand (participates in β ladder)trans-127.4157.6177.5-62.20000109.8T81 V82 D84T81-V91 CarbonylContact C-O 3.53Å; T81-V91 WeakPolarHBondContact CA-O 3.04Å; T81-V91 VanDerWaalsContact CB-O 3.31Å; T81-V91 WeakPolarHBondContact CB-O 3.41Å; V82-V91 HydrophobicContact CG2-CG2 4.21Å; V82-V91 PolarHBondContact N-O 3.38Å; V82-V91 WeakPolarHBondContact O-CG2 3.36Å; V82-V91 PolarHBondContact O-N 3.39Å; D84-V91 HydrophobicContact CB-CG1 4.13Å
92C89Confident87.5Confident55 Ų5550.2 Ų50.237%0.37226%0.258SS..EExtended strand (participates in β ladder)trans-59.4140.5176.1-67.60000111C78 V110C78-C92 HydrophobicContact CB-CB 3.8Å; C78-C92 WeakPolarHBondContact CB-SG 3.35Å; C78-C92 WeakPolarHBondContact SG-CA 3.49Å; C78-C92 WeakPolarHBondContact SG-CB 3.42Å; C78-C92 PolarHBondContact SG-N 3.16Å; C78-C92 CovalentContact SG-SG 2.02Å; C78-C92 PolarHBondContact SG-SG 2.82Å; C92-V110 HydrophobicContact CB-CG1 4.21Å
93A90.9Very high86.5Confident10 Ų1053 Ų538%0.08328%0.275CS..EExtended strand (participates in β ladder)trans-107.9124176.200000112.3R80 V82 K111R80-A93 HydrophobicContact CG-CB 4.02Å; R80-A93 VanDerWaalsContact CG-O 3.26Å; R80-A93 WeakPolarHBondContact CG-O 3.44Å; R80-A93 PolarHBondContact NE-O 3.1Å; R80-A93 PolarHBondContact O-N 3.23Å; V82-A93 HydrophobicContact CB-CB 4.33Å; V82-A93 HydrophobicContact CG1-CB 3.77Å; V82-A93 HydrophobicContact CG2-CB 3.85Å; A93-K111 CarbonylContact C-O 3.55Å; A93-K111 WeakPolarHBondContact CA-O 3.31Å
94A91.8Very high85.4Confident2 Ų249.2 Ų49.22%0.01726%0.256CS..EExtended strand (participates in β ladder)trans-70.3125.5179.800000112.2R80 E98 H99 V110 K111 G113 C134R80-A94 PolarHBondContact NH2-O 2.81Å; A94-E98 WeakPolarHBondContact CA-OE2 2.99Å; A94-E98 HydrophobicContact CB-CB 3.95Å; A94-H99 WeakPolarHBondContact CB-O 3.29Å; A94-V110 HydrophobicContact CB-CB 3.87Å; A94-V110 HydrophobicContact CB-CG2 3.7Å; A94-K111 PolarHBondContact N-O 2.79Å; A94-G113 PolarHBondContact O-N 2.81Å; A94-C134 PolarHBondContact O-SG 2.9Å
95G93.1Very high83.9Confident9 Ų952.4 Ų52.49%0.09328%0.28CS..PPolyproline II helixtrans-47.7167.3173.700000116.2R80 N97 E98 C134R80-G95 VanDerWaalsContact NH2-N 3.11Å; G95-N97 PolarHBondContact O-N 2.79Å; G95-E98 VanDerWaalsContact CA-CD 3.46Å; G95-E98 WeakPolarHBondContact CA-OE2 3.15Å; G95-E98 PolarHBondContact N-OE2 3.08Å; G95-E98 WeakPolarHBondContact O-CB 3.02Å; G95-E98 PolarHBondContact O-N 3.17Å; G95-E98 VanDerWaalsContact O-N 3.1Å; G95-C134 WeakPolarHBondContact O-CB 2.91Å
96R94.4Very high82.4Confident151 Ų15154.4 Ų54.457%0.5730%0.304SS*.THydrogen-bonded Turntrans-59.3134.3167.3-176.3-170.7-72.2-172.8-0.8108.7E98 L116 D136R96-E98 PolarHBondContact O-N 3.27Å; R96-L116 HydrophobicContact CB-CD1 4.44Å; R96-L116 HydrophobicContact CB-CD2 4.18Å; R96-L116 HydrophobicContact CG-CD2 4.39Å; R96-D136 IonicContact CZ-OD1 2.89Å; R96-D136 IonicContact CZ-OD2 2.68Å; R96-D136 VanDerWaalsContact NE-CG 3.33Å; R96-D136 IonicContact NE-OD1 3.57Å; R96-D136 PolarHBondContact NE-OD1 2.82Å; R96-D136 IonicContact NE-OD2 2.65Å; R96-D136 PolarHBondContact NE-OD2 2.7Å; R96-D136 IonicContact NH1-OD2 3.11Å; R96-D136 IonicContact NH2-OD1 3.1Å; R96-D136 PolarHBondContact NH2-OD1 3.16Å; R96-D136 IonicContact NH2-OD2 2.96Å; R96-D136 PolarHBondContact NH2-OD2 3.14Å; R96-D136 VanDerWaalsContact NH2-OD2 3.11Å
97N93.3Very high80.8Confident97 Ų9761 Ų6152%0.51933%0.333SS..THydrogen-bonded Turntrans63.710.8-175.8-57.4-46.3000115.5G95 I133 C134 K135G95-N97 PolarHBondContact O-N 2.79Å; N97-I133 HydrophobicContact CB-CG2 4.4Å; N97-C134 PolarHBondContact N-O 3.32Å; N97-K135 PolarHBondContact OD1-NZ 2.75Å; N97-K135 VanDerWaalsContact OD1-NZ 3.15Å
98E91.6Very high79.3Confident108 Ų10867.4 Ų67.451%0.50535%0.353SS..  trans-86.8160.6168.7-65.8-179.6-169.700110.7A94 G95 R96 I133 C134A94-E98 WeakPolarHBondContact CA-OE2 2.99Å; A94-E98 HydrophobicContact CB-CB 3.95Å; G95-E98 VanDerWaalsContact CA-CD 3.46Å; G95-E98 WeakPolarHBondContact CA-OE2 3.15Å; G95-E98 PolarHBondContact N-OE2 3.08Å; G95-E98 WeakPolarHBondContact O-CB 3.02Å; G95-E98 PolarHBondContact O-N 3.17Å; G95-E98 VanDerWaalsContact O-N 3.1Å; R96-E98 PolarHBondContact O-N 3.27Å; E98-I133 WeakPolarHBondContact O-CA 3.41Å; E98-C134 PolarHBondContact O-N 2.89Å
99H88.7Confident78.2Confident100 Ų10067.1 Ų67.146%0.46335%0.354SS..EExtended strand (participates in β ladder)trans-71145.6179.8-69.246.4000110.4A94 V110 Y131 G132 I133A94-H99 WeakPolarHBondContact CB-O 3.29Å; H99-V110 WeakPolarHBondContact O-CG2 3.31Å; H99-Y131 AromaticContact CD2-CD2 3.83Å; H99-G132 WeakPolarHBondContact CA-O 3.12Å; H99-I133 WeakPolarHBondContact ND1-CD1 3.26Å
100C88.3Confident77.8Confident0 Ų068.2 Ų68.20%036%0.359CS..EExtended strand (participates in β ladder)trans-139.5155.917651.90000110.7V110 C112 C118 Y131 G132 I133 C134C100-V110 WeakPolarHBondContact CA-O 3.33Å; C100-C112 VanDerWaalsContact CB-SG 3.55Å; C100-C118 HydrophobicContact CB-CB 3.9Å; C100-C118 WeakPolarHBondContact CB-SG 3.42Å; C100-C118 WeakPolarHBondContact SG-CA 3.31Å; C100-C118 WeakPolarHBondContact SG-CB 3.17Å; C100-C118 CovalentContact SG-SG 2.02Å; C100-C118 PolarHBondContact SG-SG 2.83Å; C100-Y131 WeakPolarHBondContact O-CA 3.01Å; C100-G132 PolarHBondContact N-O 3.34Å; C100-G132 PolarHBondContact O-N 3.33Å; C100-G132 PolarHBondContact SG-O 2.04Å; C100-I133 VanDerWaalsContact SG-C 3.55Å; C100-C134 VanDerWaalsContact CB-SG 3.6Å
101Y84.2Confident77.8Confident74 Ų7464.2 Ų64.229%0.2934%0.341SS..EExtended strand (participates in β ladder)trans-120.5155.1-178.1-66.5-89.8000110.8V110 D129Y101-V110 HydrophobicContact CD2-CG2 4.5Å; Y101-V110 PolarHBondContact N-O 3.39Å; Y101-D129 HydrophobicContact CD1-CB 4.48Å; Y101-D129 HydrophobicContact CE1-CB 4.46Å
102R75.7Confident78.1Confident81 Ų8163.3 Ų63.331%0.30634%0.335SS..SBendtrans-66.3-46.9-177.5-161.3-177.8-109.274.2-9.3112.2Y59 F120 E130Y59-R102 HydrophobicContact CD1-CG 4.13Å; Y59-R102 HydrophobicContact CE1-CG 4.31Å; Y59-R102 WeakPolarHBondContact CE1-O 3.44Å; Y59-R102 WeakPolarHBondContact CE2-O 2.97Å; Y59-R102 PolarHBondContact OH-O 3.06Å; R102-F120 HydrophobicContact CB-CE1 3.74Å; R102-F120 HydrophobicContact CB-CZ 3.74Å; R102-F120 HydrophobicContact CG-CE1 4.29Å; R102-F120 HydrophobicContact CG-CE2 4.37Å; R102-F120 HydrophobicContact CG-CZ 3.88Å; R102-F120 VanDerWaalsContact NH1-CE1 3.31Å; R102-E130 IonicContact CZ-OE1 2.95Å; R102-E130 VanDerWaalsContact CZ-OE1 3.25Å; R102-E130 IonicContact CZ-OE2 2.98Å; R102-E130 IonicContact NE-OE2 2.97Å; R102-E130 IonicContact NH1-OE1 3.73Å; R102-E130 PolarHBondContact NH1-OE1 3.09Å; R102-E130 IonicContact NH1-OE2 3.9Å; R102-E130 PolarHBondContact NH1-OE2 3.43Å; R102-E130 IonicContact NH2-OE1 2.53Å; R102-E130 PolarHBondContact NH2-OE1 3.28Å; R102-E130 IonicContact NH2-OE2 3.04Å; R102-E130 PolarHBondContact NH2-OE2 3Å
103T69.3Low78.3Confident68 Ų6860.7 Ų60.742%0.41732%0.317SS..  trans-122.2134.7178.547.10000109.2Y59 V61Y59-T103 HydrophobicContact CD2-CG2 3.32Å; Y59-T103 HydrophobicContact CE2-CG2 3.56Å; Y59-T103 HydrophobicContact CG-CG2 4.14Å; V61-T103 HydrophobicContact CG1-CG2 3.99Å
104V64.8Low78.5Confident4 Ų462.3 Ų62.32%0.02433%0.327CS..  trans-116.596.6172-62.60000109D85 K111D85-V104 PolarHBondContact OD2-N 3.47Å; V104-K111 HydrophobicContact CB-CG 4.39Å; V104-K111 HydrophobicContact CG1-CG 3.98Å; V104-K111 HydrophobicContact CG2-CD 3.67Å; V104-K111 HydrophobicContact CG2-CG 3.42Å; V104-K111 VanDerWaalsContact CG2-CG 3.42Å
105S53Low78.7Confident97 Ų9762.3 Ų62.368%0.67833%0.328SS*.  trans-110.892.6169-85.10000109
106G50.7Low78.8Confident54 Ų5462.2 Ų62.256%0.55733%0.325SS*.SBendtrans111.5-161.7176.900000115H108G106-H108 VanDerWaalsContact C-N 3.34Å; G106-H108 PolarHBondContact O-N 3.13Å
107M50Low78.7Confident169 Ų16958 Ų5883%0.83331%0.311SS*.SBendtrans-78.5-14-167.1-148.2174.578.700114.1
108H52.2Low78.6Confident173 Ų17354.5 Ų54.580%0.80129%0.294SS*.SBendtrans-115.5100.1-178.6-62.7171000108.8G106G106-H108 VanDerWaalsContact C-N 3.34Å; G106-H108 PolarHBondContact O-N 3.13Å
109G62.3Low78.6Confident15 Ų1553.3 Ų53.316%0.15529%0.288CS..  trans149.7131-176.600000109.7
110V77.1Confident78.5Confident45 Ų4551.7 Ų51.727%0.27328%0.28SS..  trans-127.2130.8-178.3-730000109.6C92 A94 H99 C100 Y101C92-V110 HydrophobicContact CB-CG1 4.21Å; A94-V110 HydrophobicContact CB-CB 3.87Å; A94-V110 HydrophobicContact CB-CG2 3.7Å; H99-V110 WeakPolarHBondContact O-CG2 3.31Å; C100-V110 WeakPolarHBondContact CA-O 3.33Å; Y101-V110 HydrophobicContact CD2-CG2 4.5Å; Y101-V110 PolarHBondContact N-O 3.39Å
111K88Confident77.9Confident12 Ų1256.3 Ų56.35%0.05230%0.298CS..EExtended strand (participates in β ladder)trans-90.1153.6171.6-56.1-172.492.372.20109.2Y59 V82 L83 D85 A93 A94 V104 E145Y59-K111 PolarHBondContact OH-NZ 3.06Å; V82-K111 HydrophobicContact CG2-CB 3.81Å; V82-K111 HydrophobicContact CG2-CD 4.33Å; V82-K111 HydrophobicContact CG2-CG 4.45Å; L83-K111 WeakPolarHBondContact O-CD 3.4Å; D85-K111 IonicContact OD1-NZ 2.94Å; D85-K111 PolarHBondContact OD1-NZ 2.02Å; D85-K111 IonicContact OD2-NZ 2.63Å; D85-K111 PolarHBondContact OD2-NZ 3.36Å; A93-K111 CarbonylContact C-O 3.55Å; A93-K111 WeakPolarHBondContact CA-O 3.31Å; A94-K111 PolarHBondContact N-O 2.79Å; V104-K111 HydrophobicContact CB-CG 4.39Å; V104-K111 HydrophobicContact CG1-CG 3.98Å; V104-K111 HydrophobicContact CG2-CD 3.67Å; V104-K111 HydrophobicContact CG2-CG 3.42Å; V104-K111 VanDerWaalsContact CG2-CG 3.42Å; K111-E145 IonicContact NZ-OE1 3.02Å
112C92.4Very high77Confident5 Ų562.8 Ų62.83%0.03433%0.327CS..EExtended strand (participates in β ladder)trans-65.3143.2171.8-57.40000111.4C100 L116 C134C100-C112 VanDerWaalsContact CB-SG 3.55Å; C112-L116 HydrophobicContact CB-CB 3.75Å; C112-C134 WeakPolarHBondContact CA-SG 3.12Å; C112-C134 HydrophobicContact CB-CB 3.85Å; C112-C134 WeakPolarHBondContact CB-SG 3.21Å; C112-C134 WeakPolarHBondContact SG-CA 3.42Å; C112-C134 WeakPolarHBondContact SG-CB 3.45Å; C112-C134 CovalentContact SG-SG 2.04Å; C112-C134 PolarHBondContact SG-SG 3.22Å
113G93.5Very high76.5Confident0 Ų064 Ų640%034%0.34CS..  trans-66.2174.617400000113.4A94 L116A94-G113 PolarHBondContact O-N 2.81Å; G113-L116 WeakPolarHBondContact O-CB 3.38Å; G113-L116 PolarHBondContact O-N 3.2Å
114P94.8Very high76.3Confident45 Ų4566.9 Ų66.929%0.29235%0.349SS..THydrogen-bonded Turntrans-53144.6172.9-23.133.6000111.8L116 V144 E160P114-L116 PolarHBondContact O-N 2.96Å; P114-V144 HydrophobicContact CB-CG2 4.4Å; P114-V144 HydrophobicContact CG-CG2 4.01Å; P114-E160 HydrophobicContact CB-CB 4.27Å
115G95.6Very high76.4Confident2 Ų268.3 Ų68.32%0.02136%0.356CS..THydrogen-bonded Turntrans773.8-178.500000115C137 G143 R159G115-C137 PolarHBondContact O-N 3.41Å; G115-C137 PolarHBondContact O-SG 3.45Å; G115-C137 VanDerWaalsContact O-SG 3.35Å; G115-G143 PolarHBondContact N-O 3.34Å; G115-R159 VanDerWaalsContact CA-C 3.48Å; G115-R159 WeakPolarHBondContact CA-O 3.49Å; G115-R159 PolarHBondContact N-O 2.53Å
116L95.2Very high77.3Confident7 Ų771.8 Ų71.84%0.03737%0.368CS..EExtended strand (participates in β ladder)trans-126.6151.5177.5-53.9171.6000111.1R96 C112 G113 P114 C134 K135 D136 E145R96-L116 HydrophobicContact CB-CD1 4.44Å; R96-L116 HydrophobicContact CB-CD2 4.18Å; R96-L116 HydrophobicContact CG-CD2 4.39Å; C112-L116 HydrophobicContact CB-CB 3.75Å; G113-L116 WeakPolarHBondContact O-CB 3.38Å; G113-L116 PolarHBondContact O-N 3.2Å; P114-L116 PolarHBondContact O-N 2.96Å; L116-C134 HydrophobicContact CB-CB 4.37Å; L116-C134 HydrophobicContact CD1-CB 4.14Å; L116-K135 CarbonylContact C-O 3.47Å; L116-K135 WeakPolarHBondContact CA-O 3.42Å; L116-K135 WeakPolarHBondContact CB-O 3.04Å; L116-D136 WeakPolarHBondContact CD2-OD1 3.37Å; L116-E145 PolarHBondContact O-N 3.24Å
117F92.9Very high78.3Confident63 Ų6379 Ų7928%0.27638%0.379SS..EExtended strand (participates in β ladder)trans-123.3156.316672.8-77000110.5E119 C134 K135 D136F117-E119 HydrophobicContact CE2-CB 3.86Å; F117-E119 HydrophobicContact CE2-CG 4.48Å; F117-E119 HydrophobicContact CZ-CB 4.37Å; F117-E119 PolarHBondContact O-N 3.19Å; F117-C134 WeakPolarHBondContact O-CA 3.43Å; F117-K135 HydrophobicContact CD1-CB 4.26Å; F117-K135 WeakPolarHBondContact CD1-O 3.38Å; F117-K135 HydrophobicContact CE1-CB 3.69Å; F117-K135 HydrophobicContact CZ-CB 3.9Å; F117-K135 PolarHBondContact N-O 2.04Å; F117-K135 PolarHBondContact O-N 3.5Å; F117-D136 VanDerWaalsContact CE1-O 3.24Å; F117-D136 WeakPolarHBondContact CE1-O 3.32Å
118C91.4Very high79.2Confident23 Ų2372.6 Ų72.616%0.15536%0.357CS..EExtended strand (participates in β ladder)trans-83.6113.8174.7-165.50000109.7C100 F120C100-C118 HydrophobicContact CB-CB 3.9Å; C100-C118 WeakPolarHBondContact CB-SG 3.42Å; C100-C118 WeakPolarHBondContact SG-CA 3.31Å; C100-C118 WeakPolarHBondContact SG-CB 3.17Å; C100-C118 CovalentContact SG-SG 2.02Å; C100-C118 PolarHBondContact SG-SG 2.83Å; C118-F120 HydrophobicContact CB-CE1 4.42Å; C118-F120 HydrophobicContact CB-CE2 4.09Å; C118-F120 HydrophobicContact CB-CZ 3.86Å; C118-F120 WeakPolarHBondContact SG-CE1 3.47Å; C118-F120 VanDerWaalsContact SG-CZ 3.52Å
119E91.4Very high80Confident82 Ų8268.9 Ų68.938%0.38334%0.343SS..EExtended strand (participates in β ladder)trans-89.8106.2171.4-177.3175.5-121.100108.4F117 G132 I133 K135F117-E119 HydrophobicContact CE2-CB 3.86Å; F117-E119 HydrophobicContact CE2-CG 4.48Å; F117-E119 HydrophobicContact CZ-CB 4.37Å; F117-E119 PolarHBondContact O-N 3.19Å; E119-G132 CarbonylContact O-C 3.45Å; E119-G132 WeakPolarHBondContact O-CA 3.01Å; E119-I133 PolarHBondContact N-O 3.1Å; E119-I133 PolarHBondContact O-N 3.41Å; E119-K135 HydrophobicContact CB-CG 3.76Å; E119-K135 VanDerWaalsContact OE2-CE 3.31Å; E119-K135 WeakPolarHBondContact OE2-CE 3.42Å; E119-K135 WeakPolarHBondContact OE2-CG 3.46Å
120F84.9Confident80.6Confident67 Ų6771.3 Ų71.329%0.29435%0.35SS..EExtended strand (participates in β ladder)trans-77.8139.4-178.7-63.8-76.7000111.9R102 C118 E130R102-F120 HydrophobicContact CB-CE1 3.74Å; R102-F120 HydrophobicContact CB-CZ 3.74Å; R102-F120 HydrophobicContact CG-CE1 4.29Å; R102-F120 HydrophobicContact CG-CE2 4.37Å; R102-F120 HydrophobicContact CG-CZ 3.88Å; R102-F120 VanDerWaalsContact NH1-CE1 3.31Å; C118-F120 HydrophobicContact CB-CE1 4.42Å; C118-F120 HydrophobicContact CB-CE2 4.09Å; C118-F120 HydrophobicContact CB-CZ 3.86Å; C118-F120 WeakPolarHBondContact SG-CE1 3.47Å; C118-F120 VanDerWaalsContact SG-CZ 3.52Å; F120-E130 HydrophobicContact CB-CG 4.41Å; F120-E130 WeakPolarHBondContact CB-OE1 3.35Å; F120-E130 HydrophobicContact CD1-CG 4.26Å
121Y76.9Confident80.9Confident97 Ų9771.9 Ų71.938%0.3835%0.348SS..EExtended strand (participates in β ladder)trans-87.7160.6165.7-65.6-70000110D123 Y131 I133Y121-D123 PolarHBondContact O-N 2.99Å; Y121-Y131 PolarHBondContact N-O 2.68Å; Y121-I133 HydrophobicContact CD2-CG1 4.46Å; Y121-I133 HydrophobicContact CE2-CB 4.22Å; Y121-I133 HydrophobicContact CE2-CG1 3.55Å
122K65Low80.9Confident209 Ų20971.3 Ų71.391%0.90935%0.345SS*.EExtended strand (participates in β ladder)trans-79-1.5176.3-68.9-169175-173.80113.3
123D65.3Low80.9Confident108 Ų10872 Ų7258%0.57835%0.348SS*.EExtended strand (participates in β ladder)trans-95.8131.1-178.2-55.9-43.2000108.4Y121Y121-D123 PolarHBondContact O-N 2.99Å
124E65.4Low80.9Confident127 Ų12772 Ų7259%0.59335%0.348SS*.EExtended strand (participates in β ladder)trans-81.7147.6169.8-60.5-169.9170.900108.7G128E124-G128 WeakPolarHBondContact OE2-CA 3.31Å
125D66.9Low80.9Confident34 Ų3472.5 Ų72.518%0.18235%0.346CS..  trans-69.2177171.866.116.6000111.3Y127 G128 D129 Y131D125-Y127 PolarHBondContact O-N 3.26Å; D125-Y127 WeakPolarHBondContact OD1-CA 3.36Å; D125-Y127 WeakPolarHBondContact OD1-CB 3.32Å; D125-Y127 PolarHBondContact OD1-N 2.01Å; D125-G128 PolarHBondContact O-N 3.35Å; D125-G128 PolarHBondContact OD1-N 2.88Å; D125-G128 VanDerWaalsContact OD1-N 3.11Å; D125-D129 PolarHBondContact N-O 3.35Å; D125-D129 PolarHBondContact OD1-N 2.62Å; D125-Y131 HydrophobicContact CB-CD1 3.72Å; D125-Y131 HydrophobicContact CB-CE1 3.88Å
126D72.1Confident81Confident171 Ų17174.6 Ų74.691%0.91436%0.357SS*.THydrogen-bonded Turntrans-57.6-12.4178.4-67.4-28.9000113.4
127Y71.1Confident81Confident205 Ų20574.3 Ų74.380%0.80436%0.355SS*.THydrogen-bonded Turntrans-101.8-3.7178.3-60.2-81.1000113.5D125D125-Y127 PolarHBondContact O-N 3.26Å; D125-Y127 WeakPolarHBondContact OD1-CA 3.36Å; D125-Y127 WeakPolarHBondContact OD1-CB 3.32Å; D125-Y127 PolarHBondContact OD1-N 2.01Å
128G68.4Low81.1Confident35 Ų3574.8 Ų74.836%0.36136%0.364SS..SBendtrans83.512.1-178.300000113.9E124 D125E124-G128 WeakPolarHBondContact OE2-CA 3.31Å; D125-G128 PolarHBondContact O-N 3.35Å; D125-G128 PolarHBondContact OD1-N 2.88Å; D125-G128 VanDerWaalsContact OD1-N 3.11Å
129D69.8Low81.1Confident94 Ų9480.2 Ų80.250%0.50338%0.383SS..  trans-91.5132.7177.4-73.5-41.5000110.5Y101 D125 Y131Y101-D129 HydrophobicContact CD1-CB 4.48Å; Y101-D129 HydrophobicContact CE1-CB 4.46Å; D125-D129 PolarHBondContact N-O 3.35Å; D125-D129 PolarHBondContact OD1-N 2.62Å; D129-Y131 PolarHBondContact O-N 3.18Å
130E75.1Confident81.1Confident67 Ų6777.2 Ų77.231%0.31337%0.374SS..EExtended strand (participates in β ladder)trans-75.9110.1175.2-164-176.2146.800109.7R102 F120R102-E130 IonicContact CZ-OE1 2.95Å; R102-E130 VanDerWaalsContact CZ-OE1 3.25Å; R102-E130 IonicContact CZ-OE2 2.98Å; R102-E130 IonicContact NE-OE2 2.97Å; R102-E130 IonicContact NH1-OE1 3.73Å; R102-E130 PolarHBondContact NH1-OE1 3.09Å; R102-E130 IonicContact NH1-OE2 3.9Å; R102-E130 PolarHBondContact NH1-OE2 3.43Å; R102-E130 IonicContact NH2-OE1 2.53Å; R102-E130 PolarHBondContact NH2-OE1 3.28Å; R102-E130 IonicContact NH2-OE2 3.04Å; R102-E130 PolarHBondContact NH2-OE2 3Å; F120-E130 HydrophobicContact CB-CG 4.41Å; F120-E130 WeakPolarHBondContact CB-OE1 3.35Å; F120-E130 HydrophobicContact CD1-CG 4.26Å
131Y82.9Confident81.6Confident56 Ų5675.4 Ų75.422%0.2237%0.368CS..EExtended strand (participates in β ladder)trans-104.6160.6177.871.3-80.6000111.6H99 C100 Y121 D125 D129H99-Y131 AromaticContact CD2-CD2 3.83Å; C100-Y131 WeakPolarHBondContact O-CA 3.01Å; Y121-Y131 PolarHBondContact N-O 2.68Å; D125-Y131 HydrophobicContact CB-CD1 3.72Å; D125-Y131 HydrophobicContact CB-CE1 3.88Å; D129-Y131 PolarHBondContact O-N 3.18Å
132G88.6Confident82.5Confident0 Ų073.3 Ų73.30%036%0.36CS..EExtended strand (participates in β ladder)trans-141.9-174.5177.900000112H99 C100 E119H99-G132 WeakPolarHBondContact CA-O 3.12Å; C100-G132 PolarHBondContact N-O 3.34Å; C100-G132 PolarHBondContact O-N 3.33Å; C100-G132 PolarHBondContact SG-O 2.04Å; E119-G132 CarbonylContact O-C 3.45Å; E119-G132 WeakPolarHBondContact O-CA 3.01Å
133I90.9Very high83.9Confident19 Ų1963.8 Ų63.810%0.09732%0.321CS..EExtended strand (participates in β ladder)trans-123.8136.7176.4-65.5-69.9000109.7N97 E98 H99 C100 E119 Y121 K135N97-I133 HydrophobicContact CB-CG2 4.4Å; E98-I133 WeakPolarHBondContact O-CA 3.41Å; H99-I133 WeakPolarHBondContact ND1-CD1 3.26Å; C100-I133 VanDerWaalsContact SG-C 3.55Å; E119-I133 PolarHBondContact N-O 3.1Å; E119-I133 PolarHBondContact O-N 3.41Å; Y121-I133 HydrophobicContact CD2-CG1 4.46Å; Y121-I133 HydrophobicContact CE2-CB 4.22Å; Y121-I133 HydrophobicContact CE2-CG1 3.55Å; I133-K135 HydrophobicContact CG2-CD 4.35Å; I133-K135 PolarHBondContact O-N 3.33Å
134C94.1Very high85.1Confident0 Ų061.2 Ų61.20%031%0.309CS..EExtended strand (participates in β ladder)trans-70.9116.7177.7-660000111.7A94 G95 N97 E98 C100 C112 L116 F117A94-C134 PolarHBondContact O-SG 2.9Å; G95-C134 WeakPolarHBondContact O-CB 2.91Å; N97-C134 PolarHBondContact N-O 3.32Å; E98-C134 PolarHBondContact O-N 2.89Å; C100-C134 VanDerWaalsContact CB-SG 3.6Å; C112-C134 WeakPolarHBondContact CA-SG 3.12Å; C112-C134 HydrophobicContact CB-CB 3.85Å; C112-C134 WeakPolarHBondContact CB-SG 3.21Å; C112-C134 WeakPolarHBondContact SG-CA 3.42Å; C112-C134 WeakPolarHBondContact SG-CB 3.45Å; C112-C134 CovalentContact SG-SG 2.04Å; C112-C134 PolarHBondContact SG-SG 3.22Å; L116-C134 HydrophobicContact CB-CB 4.37Å; L116-C134 HydrophobicContact CD1-CB 4.14Å; F117-C134 WeakPolarHBondContact O-CA 3.43Å
135K95.8Very high86.2Confident57 Ų5757 Ų5725%0.24829%0.29CS..EExtended strand (participates in β ladder)trans-114.9158177.4-60.6-58.4-179.6-176.60111N97 L116 F117 E119 I133N97-K135 PolarHBondContact OD1-NZ 2.75Å; N97-K135 VanDerWaalsContact OD1-NZ 3.15Å; L116-K135 CarbonylContact C-O 3.47Å; L116-K135 WeakPolarHBondContact CA-O 3.42Å; L116-K135 WeakPolarHBondContact CB-O 3.04Å; F117-K135 HydrophobicContact CD1-CB 4.26Å; F117-K135 WeakPolarHBondContact CD1-O 3.38Å; F117-K135 HydrophobicContact CE1-CB 3.69Å; F117-K135 HydrophobicContact CZ-CB 3.9Å; F117-K135 PolarHBondContact N-O 2.04Å; F117-K135 PolarHBondContact O-N 3.5Å; E119-K135 HydrophobicContact CB-CG 3.76Å; E119-K135 VanDerWaalsContact OE2-CE 3.31Å; E119-K135 WeakPolarHBondContact OE2-CE 3.42Å; E119-K135 WeakPolarHBondContact OE2-CG 3.46Å; I133-K135 HydrophobicContact CG2-CD 4.35Å; I133-K135 PolarHBondContact O-N 3.33Å
136D96.5Very high87.4Confident46 Ų4656.2 Ų56.225%0.24629%0.286CS..EExtended strand (participates in β ladder)trans-67.7141.2-179.7-61.3-69.3000112.8R96 L116 F117R96-D136 IonicContact CZ-OD1 2.89Å; R96-D136 IonicContact CZ-OD2 2.68Å; R96-D136 VanDerWaalsContact NE-CG 3.33Å; R96-D136 IonicContact NE-OD1 3.57Å; R96-D136 PolarHBondContact NE-OD1 2.82Å; R96-D136 IonicContact NE-OD2 2.65Å; R96-D136 PolarHBondContact NE-OD2 2.7Å; R96-D136 IonicContact NH1-OD2 3.11Å; R96-D136 IonicContact NH2-OD1 3.1Å; R96-D136 PolarHBondContact NH2-OD1 3.16Å; R96-D136 IonicContact NH2-OD2 2.96Å; R96-D136 PolarHBondContact NH2-OD2 3.14Å; R96-D136 VanDerWaalsContact NH2-OD2 3.11Å; L116-D136 WeakPolarHBondContact CD2-OD1 3.37Å; F117-D136 VanDerWaalsContact CE1-O 3.24Å; F117-D136 WeakPolarHBondContact CE1-O 3.32Å
137C95.8Very high88.4Confident0 Ų053.7 Ų53.70%026%0.264CS..PPolyproline II helixtrans-52.8137.7176.3-73.20000112.9G115 C146 R159G115-C137 PolarHBondContact O-N 3.41Å; G115-C137 PolarHBondContact O-SG 3.45Å; G115-C137 VanDerWaalsContact O-SG 3.35Å; C137-C146 WeakPolarHBondContact CA-SG 3.42Å; C137-C146 HydrophobicContact CB-CB 3.7Å; C137-C146 WeakPolarHBondContact CB-SG 3.35Å; C137-C146 WeakPolarHBondContact SG-CA 3.4Å; C137-C146 WeakPolarHBondContact SG-CB 3.46Å; C137-C146 CovalentContact SG-SG 2.01Å; C137-C146 PolarHBondContact SG-SG 2.97Å; C137-R159 HydrophobicContact CB-CB 4.3Å; C137-R159 HydrophobicContact CB-CG 4.36Å; C137-R159 VanDerWaalsContact O-CD 3.31Å; C137-R159 WeakPolarHBondContact O-CD 3.36Å; C137-R159 PolarHBondContact O-NE 3.5Å; C137-R159 PolarHBondContact O-NH1 2.87Å
138P94.4Very high89.5Confident73 Ų7349.7 Ų49.747%0.47425%0.251SS..PPolyproline II helixtrans-57.7150.4175.723-30.7000111.1G140 T141P138-G140 PolarHBondContact O-N 3.36Å; P138-T141 WeakPolarHBondContact CD-OG1 3.02Å; P138-T141 HydrophobicContact CG-CG2 4.42Å; P138-T141 WeakPolarHBondContact CG-OG1 3.1Å; P138-T141 PolarHBondContact O-N 2.99Å; P138-T141 VanDerWaalsContact O-N 3.08Å; P138-T141 PolarHBondContact O-OG1 3.12Å
139Y91.3Very high90.7Very high138 Ų13852.9 Ų52.954%0.54126%0.263SS..THydrogen-bonded Turntrans-52.2134.1178.9-71.9-69.5000111.1H200Y139-H200 PolarHBondContact OH-O 3.41Å
140G92Very high91.9Very high19 Ų1949 Ų4920%0.19624%0.244CC..THydrogen-bonded Turntrans88.73.3-177.500000114.9P138 T149 C150 G155P138-G140 PolarHBondContact O-N 3.36Å; G140-T149 WeakPolarHBondContact O-CA 3.1Å; G140-C150 VanDerWaalsContact CA-SG 3.55Å; G140-C150 PolarHBondContact O-N 3.11Å; G140-C150 PolarHBondContact O-SG 2.65Å; G140-G155 WeakPolarHBondContact CA-O 3.11Å
141T95.1Very high92.8Very high28 Ų2851.7 Ų51.717%0.17227%0.27CS..EExtended strand (participates in β ladder)trans-127.6156.7174.464.90000112.2P138 K148P138-T141 WeakPolarHBondContact CD-OG1 3.02Å; P138-T141 HydrophobicContact CG-CG2 4.42Å; P138-T141 WeakPolarHBondContact CG-OG1 3.1Å; P138-T141 PolarHBondContact O-N 2.99Å; P138-T141 VanDerWaalsContact O-N 3.08Å; P138-T141 PolarHBondContact O-OG1 3.12Å; T141-K148 CarbonylContact C-O 3.4Å; T141-K148 WeakPolarHBondContact CA-O 3.24Å; T141-K148 WeakPolarHBondContact CB-O 3.12Å
142Y95.9Very high93.1Very high54 Ų5449.8 Ų49.821%0.21226%0.264CS..EExtended strand (participates in β ladder)trans-152.4170.4-177.676.5-83.6000112.9C146 K148 T149 D158 R159 G162Y142-C146 CarbonylContact O-C 3.56Å; Y142-K148 HydrophobicContact CD1-CB 3.66Å; Y142-K148 HydrophobicContact CD2-CB 4.13Å; Y142-K148 HydrophobicContact CD2-CD 4.08Å; Y142-K148 HydrophobicContact CE1-CB 3.36Å; Y142-K148 HydrophobicContact CE1-CD 4.34Å; Y142-K148 HydrophobicContact CE1-CG 4.48Å; Y142-K148 HydrophobicContact CE2-CB 3.87Å; Y142-K148 HydrophobicContact CE2-CD 3.39Å; Y142-K148 HydrophobicContact CE2-CG 4.27Å; Y142-K148 HydrophobicContact CG-CB 4.04Å; Y142-K148 VanDerWaalsContact CZ-CB 3.47Å; Y142-K148 PolarHBondContact N-O 3.18Å; Y142-K148 WeakPolarHBondContact O-CB 3.4Å; Y142-K148 PolarHBondContact O-N 3.36Å; Y142-T149 WeakPolarHBondContact CE1-O 3.27Å; Y142-D158 WeakPolarHBondContact CB-O 3.35Å; Y142-R159 CarbonylContact C-O 3.5Å; Y142-R159 WeakPolarHBondContact CA-O 3.42Å; Y142-R159 WeakPolarHBondContact CB-O 3.12Å; Y142-G162 VanDerWaalsContact CD2-N 3.32Å; Y142-G162 VanDerWaalsContact CG-CA 3.45Å
143G93.4Very high92.9Very high8 Ų860.1 Ų60.18%0.08231%0.309CS..SBendtrans86.1-171.417800000113.7G115 E145 C146 R159G115-G143 PolarHBondContact N-O 3.34Å; G143-E145 PolarHBondContact O-N 2.03Å; G143-C146 PolarHBondContact O-N 2.84Å; G143-R159 PolarHBondContact N-O 2.96Å
144V91.1Very high92.4Very high55 Ų5562.3 Ų62.333%0.33334%0.336SS..G310 helixtrans-66.7131.6178.5177.90000109.5V82 P114 C146 R147V82-V144 HydrophobicContact CG1-CG2 3.82Å; P114-V144 HydrophobicContact CB-CG2 4.4Å; P114-V144 HydrophobicContact CG-CG2 4.01Å; V144-C146 PolarHBondContact O-N 3.45Å; V144-R147 PolarHBondContact O-N 2.98Å
145E89.1Confident91.8Very high39 Ų3963.9 Ų63.918%0.18235%0.353CS..G310 helixtrans53.120-174.8-63.1-178.6-177.600114.2K111 L116 G143 R147K111-E145 IonicContact NZ-OE1 3.02Å; L116-E145 PolarHBondContact O-N 3.24Å; G143-E145 PolarHBondContact O-N 2.03Å; E145-R147 HydrophobicContact CB-CG 4.07Å; E145-R147 PolarHBondContact O-N 2.83Å; E145-R147 VanDerWaalsContact O-N 3.14Å; E145-R147 IonicContact OE1-NH2 3.88Å; E145-R147 IonicContact OE2-CZ 3.38Å; E145-R147 IonicContact OE2-NE 3.19Å; E145-R147 PolarHBondContact OE2-NE 2.96Å; E145-R147 IonicContact OE2-NH2 3.16Å; E145-R147 PolarHBondContact OE2-NH2 3.22Å
146C93Very high91.5Very high17 Ų1764.4 Ų64.412%0.11536%0.357CS..G310 helixtrans57.729.5176.8-41.20000114.1C137 Y142 G143 V144 K148C137-C146 WeakPolarHBondContact CA-SG 3.42Å; C137-C146 HydrophobicContact CB-CB 3.7Å; C137-C146 WeakPolarHBondContact CB-SG 3.35Å; C137-C146 WeakPolarHBondContact SG-CA 3.4Å; C137-C146 WeakPolarHBondContact SG-CB 3.46Å; C137-C146 CovalentContact SG-SG 2.01Å; C137-C146 PolarHBondContact SG-SG 2.97Å; Y142-C146 CarbonylContact O-C 3.56Å; G143-C146 PolarHBondContact O-N 2.84Å; V144-C146 PolarHBondContact O-N 3.45Å; C146-K148 PolarHBondContact O-N 2.56Å
147R91.4Very high91.3Very high118 Ų11862.5 Ų62.545%0.44535%0.348SS..  trans-71.7-13.3-174.9-65.9-178.3-178.5-171.52.3113.9G56 V144 E145G56-R147 PolarHBondContact O-NH1 2.88Å; G56-R147 VanDerWaalsContact O-NH1 3.1Å; G56-R147 PolarHBondContact O-NH2 3.05Å; V144-R147 PolarHBondContact O-N 2.98Å; E145-R147 HydrophobicContact CB-CG 4.07Å; E145-R147 PolarHBondContact O-N 2.83Å; E145-R147 VanDerWaalsContact O-N 3.14Å; E145-R147 IonicContact OE1-NH2 3.88Å; E145-R147 IonicContact OE2-CZ 3.38Å; E145-R147 IonicContact OE2-NE 3.19Å; E145-R147 PolarHBondContact OE2-NE 2.96Å; E145-R147 IonicContact OE2-NH2 3.16Å; E145-R147 PolarHBondContact OE2-NH2 3.22Å
148K94Very high91.2Very high120 Ų12065.1 Ų65.152%0.52236%0.362SS..EExtended strand (participates in β ladder)trans-105.5144.8-178.2-56.3179.9179.2179.60110.8T141 Y142 C146T141-K148 CarbonylContact C-O 3.4Å; T141-K148 WeakPolarHBondContact CA-O 3.24Å; T141-K148 WeakPolarHBondContact CB-O 3.12Å; Y142-K148 HydrophobicContact CD1-CB 3.66Å; Y142-K148 HydrophobicContact CD2-CB 4.13Å; Y142-K148 HydrophobicContact CD2-CD 4.08Å; Y142-K148 HydrophobicContact CE1-CB 3.36Å; Y142-K148 HydrophobicContact CE1-CD 4.34Å; Y142-K148 HydrophobicContact CE1-CG 4.48Å; Y142-K148 HydrophobicContact CE2-CB 3.87Å; Y142-K148 HydrophobicContact CE2-CD 3.39Å; Y142-K148 HydrophobicContact CE2-CG 4.27Å; Y142-K148 HydrophobicContact CG-CB 4.04Å; Y142-K148 VanDerWaalsContact CZ-CB 3.47Å; Y142-K148 PolarHBondContact N-O 3.18Å; Y142-K148 WeakPolarHBondContact O-CB 3.4Å; Y142-K148 PolarHBondContact O-N 3.36Å; C146-K148 PolarHBondContact O-N 2.56Å
149T94.8Very high91.3Very high102 Ų10264.6 Ų64.663%0.62635%0.35SS*.EExtended strand (participates in β ladder)trans-102.8134.9178.8-52.30000110.8G140 Y142 S151G140-T149 WeakPolarHBondContact O-CA 3.1Å; Y142-T149 WeakPolarHBondContact CE1-O 3.27Å; T149-S151 PolarHBondContact O-N 2.95Å
150C94.8Very high91.5Very high14 Ų1463.3 Ų63.310%0.09535%0.349CS..  trans-60.3134.8175.6-62.50000111.1G140 G155 C157G140-C150 VanDerWaalsContact CA-SG 3.55Å; G140-C150 PolarHBondContact O-N 3.11Å; G140-C150 PolarHBondContact O-SG 2.65Å; C150-G155 WeakPolarHBondContact CB-O 3.37Å; C150-C157 VanDerWaalsContact CA-SG 3.59Å; C150-C157 HydrophobicContact CB-CB 3.7Å; C150-C157 WeakPolarHBondContact CB-SG 3.19Å; C150-C157 WeakPolarHBondContact SG-CB 3.17Å; C150-C157 PolarHBondContact SG-N 2.98Å; C150-C157 VanDerWaalsContact SG-N 3.36Å; C150-C157 CovalentContact SG-SG 2.02Å; C150-C157 PolarHBondContact SG-SG 2.72Å
151S93.4Very high91.6Very high123 Ų12366.8 Ų66.886%0.8637%0.367SS*.  trans-110.825.9176.6-62.60000112.9T149T149-S151 PolarHBondContact O-N 2.95Å
152C89.8Confident91.5Very high15 Ų1566.2 Ų66.210%0.10137%0.367CS..SBendtrans-84.8150.6-173.9-62.30000112.7G154 G155 I156 C164C152-G154 PolarHBondContact O-N 2.89Å; C152-G155 PolarHBondContact O-N 3.3Å; C152-I156 WeakPolarHBondContact CB-O 3.34Å; C152-C164 WeakPolarHBondContact CA-SG 3.2Å; C152-C164 HydrophobicContact CB-CB 3.68Å; C152-C164 WeakPolarHBondContact CB-SG 3.1Å; C152-C164 WeakPolarHBondContact SG-CA 3.31Å; C152-C164 WeakPolarHBondContact SG-CB 3.41Å; C152-C164 CovalentContact SG-SG 2.03Å; C152-C164 PolarHBondContact SG-SG 3.01Å
153K83.8Confident91.4Very high218 Ų21866.3 Ų66.395%0.94838%0.378SS*.THydrogen-bonded Turntrans-66.3108.1170.8-170175.8-178.3178.10108.9
154G80.6Confident91.3Very high64 Ų6469.4 Ų69.466%0.6640%0.398SS*.THydrogen-bonded Turntrans101.82.8-170.600000114.5C152 I156C152-G154 PolarHBondContact O-N 2.89Å; G154-I156 PolarHBondContact O-N 3.04Å
155G82.9Confident91.1Very high34 Ų3471 Ų7135%0.35140%0.404SS..SBendtrans74.4-7167.200000116.5G140 C150 C152G140-G155 WeakPolarHBondContact CA-O 3.11Å; C150-G155 WeakPolarHBondContact CB-O 3.37Å; C152-G155 PolarHBondContact O-N 3.3Å
156I87.7Confident90.4Very high67 Ų6774.8 Ų74.834%0.34443%0.43SS..  trans-105.4130.6-176.2-55174.2000110.4C152 G154 L165C152-I156 WeakPolarHBondContact CB-O 3.34Å; G154-I156 PolarHBondContact O-N 3.04Å; I156-L165 HydrophobicContact CG2-CD1 3.8Å; I156-L165 HydrophobicContact CG2-CG 4.48Å
157C92.9Very high89.2Confident6 Ų678.2 Ų78.24%0.04145%0.447CS..BIsolated β-bridgetrans-136.8164.4175.673.50000111.3C150 G162 A163C150-C157 VanDerWaalsContact CA-SG 3.59Å; C150-C157 HydrophobicContact CB-CB 3.7Å; C150-C157 WeakPolarHBondContact CB-SG 3.19Å; C150-C157 WeakPolarHBondContact SG-CB 3.17Å; C150-C157 PolarHBondContact SG-N 2.98Å; C150-C157 VanDerWaalsContact SG-N 3.36Å; C150-C157 CovalentContact SG-SG 2.02Å; C150-C157 PolarHBondContact SG-SG 2.72Å; C157-G162 WeakPolarHBondContact CB-O 3.39Å; C157-A163 CarbonylContact C-O 3.54Å; C157-A163 WeakPolarHBondContact CA-O 3.48Å; C157-A163 WeakPolarHBondContact CB-O 3.03Å
158D94.8Very high87.6Confident56 Ų5676.4 Ų76.430%0.29945%0.449SS..  trans-59.2131.6170.4176.4-102.8000110.5Y142 E160 T161 G162 A163 L165Y142-D158 WeakPolarHBondContact CB-O 3.35Å; D158-E160 VanDerWaalsContact C-N 3.31Å; D158-E160 PolarHBondContact O-N 2.84Å; D158-E160 PolarHBondContact OD1-N 3.25Å; D158-T161 WeakPolarHBondContact CB-OG1 3.4Å; D158-T161 WeakPolarHBondContact OD1-CB 3Å; D158-T161 PolarHBondContact OD1-N 2.89Å; D158-T161 PolarHBondContact OD1-OG1 3.45Å; D158-G162 VanDerWaalsContact O-CA 3.26Å; D158-G162 WeakPolarHBondContact O-CA 3.03Å; D158-G162 PolarHBondContact O-N 2.02Å; D158-A163 HydrophobicContact CB-CB 4.39Å; D158-A163 PolarHBondContact N-O 3.49Å; D158-L165 HydrophobicContact CB-CD2 4.11Å
159R95.6Very high85.6Confident62 Ų6277.6 Ų77.623%0.23445%0.454CS..THydrogen-bonded Turntrans-72-25.2-170-62.3-178.3-168-160.811.4112.3G115 C137 Y142 G143G115-R159 VanDerWaalsContact CA-C 3.48Å; G115-R159 WeakPolarHBondContact CA-O 3.49Å; G115-R159 PolarHBondContact N-O 2.53Å; C137-R159 HydrophobicContact CB-CB 4.3Å; C137-R159 HydrophobicContact CB-CG 4.36Å; C137-R159 VanDerWaalsContact O-CD 3.31Å; C137-R159 WeakPolarHBondContact O-CD 3.36Å; C137-R159 PolarHBondContact O-NE 3.5Å; C137-R159 PolarHBondContact O-NH1 2.87Å; Y142-R159 CarbonylContact C-O 3.5Å; Y142-R159 WeakPolarHBondContact CA-O 3.42Å; Y142-R159 WeakPolarHBondContact CB-O 3.12Å; G143-R159 PolarHBondContact N-O 2.96Å
160E94.8Very high83.7Confident111 Ų11179.7 Ų79.752%0.51946%0.455SS..THydrogen-bonded Turntrans-85.6-50.9179.2-58.9-166.9162.200111.4P114 D158P114-E160 HydrophobicContact CB-CB 4.27Å; D158-E160 VanDerWaalsContact C-N 3.31Å; D158-E160 PolarHBondContact O-N 2.84Å; D158-E160 PolarHBondContact OD1-N 3.25Å
161T94.2Very high81.9Confident92 Ų9281.7 Ų81.756%0.56447%0.473SS*.THydrogen-bonded Turntrans-96.7-23.1-168.463.30000114.1D158 A163D158-T161 WeakPolarHBondContact CB-OG1 3.4Å; D158-T161 WeakPolarHBondContact OD1-CB 3Å; D158-T161 PolarHBondContact OD1-N 2.89Å; D158-T161 PolarHBondContact OD1-OG1 3.45Å; T161-A163 PolarHBondContact O-N 2.84Å; T161-A163 WeakPolarHBondContact OG1-CB 3.07Å; T161-A163 PolarHBondContact OG1-N 3.18Å
162G94Very high79.9Confident16 Ų1683.4 Ų83.417%0.16547%0.465CS..  trans77.75.7-170.700000114.2Y142 C157 D158Y142-G162 VanDerWaalsContact CD2-N 3.32Å; Y142-G162 VanDerWaalsContact CG-CA 3.45Å; C157-G162 WeakPolarHBondContact CB-O 3.39Å; D158-G162 VanDerWaalsContact O-CA 3.26Å; D158-G162 WeakPolarHBondContact O-CA 3.03Å; D158-G162 PolarHBondContact O-N 2.02Å
163A94.4Very high78.3Confident55 Ų5586.9 Ų86.946%0.45548%0.481SS..  trans-65.7136.8179.400000111.2C157 D158 T161 L165C157-A163 CarbonylContact C-O 3.54Å; C157-A163 WeakPolarHBondContact CA-O 3.48Å; C157-A163 WeakPolarHBondContact CB-O 3.03Å; D158-A163 HydrophobicContact CB-CB 4.39Å; D158-A163 PolarHBondContact N-O 3.49Å; T161-A163 PolarHBondContact O-N 2.84Å; T161-A163 WeakPolarHBondContact OG1-CB 3.07Å; T161-A163 PolarHBondContact OG1-N 3.18Å; A163-L165 PolarHBondContact O-N 3.45Å
164C91.4Very high77Confident74 Ų7479.3 Ų79.350%0.546%0.459SS..BIsolated β-bridgetrans-66.6124-179.1-600000111.3C152 T166C152-C164 WeakPolarHBondContact CA-SG 3.2Å; C152-C164 HydrophobicContact CB-CB 3.68Å; C152-C164 WeakPolarHBondContact CB-SG 3.1Å; C152-C164 WeakPolarHBondContact SG-CA 3.31Å; C152-C164 WeakPolarHBondContact SG-CB 3.41Å; C152-C164 CovalentContact SG-SG 2.03Å; C152-C164 PolarHBondContact SG-SG 3.01Å; C164-T166 PolarHBondContact O-N 3.07Å; C164-T166 VanDerWaalsContact O-N 3.1Å
165L85.2Confident75.6Confident89 Ų8980.2 Ų80.247%0.46646%0.456SS..  trans-68.7114.5172-59.3-174.5000107.3I156 D158 A163 L167I156-L165 HydrophobicContact CG2-CD1 3.8Å; I156-L165 HydrophobicContact CG2-CG 4.48Å; D158-L165 HydrophobicContact CB-CD2 4.11Å; A163-L165 PolarHBondContact O-N 3.45Å; L165-L167 PolarHBondContact O-N 2.71Å
166T75Confident74Confident117 Ų11787.2 Ų87.272%0.71848%0.476SS*.  trans-73.6100.6174.8-51.60000106.7C164 T168C164-T166 PolarHBondContact O-N 3.07Å; C164-T166 VanDerWaalsContact O-N 3.1Å; T166-T168 HydrophobicContact CG2-CG2 3.7Å; T166-T168 PolarHBondContact O-N 2.76Å
167L67.3Low72.3Confident90 Ų9090.3 Ų90.347%0.47149%0.493SS..  trans-68.668.8171.1-63.5171.7000109.2L165 F169 F170L165-L167 PolarHBondContact O-N 2.71Å; L167-F169 PolarHBondContact O-N 3.1Å; L167-F170 HydrophobicContact CB-CD2 4.28Å; L167-F170 PolarHBondContact O-N 3.38Å
168T57.7Low70Confident80 Ų8099.1 Ų99.149%0.49153%0.531SS..Hα-helixtrans-60.2-13.4173.443.40000112T166 A171 K172T166-T168 HydrophobicContact CG2-CG2 3.7Å; T166-T168 PolarHBondContact O-N 2.76Å; T168-A171 PolarHBondContact O-N 3.26Å; T168-K172 PolarHBondContact O-N 3.43Å
169F53.4Low67.7Low145 Ų145102.6 Ų102.664%0.63655%0.554SS**Hα-helixtrans-55.8-49.7171.4-100.9-86.9000112.5L167 K172 I173L167-F169 PolarHBondContact O-N 3.1Å; F169-K172 PolarHBondContact O-N 3.27Å; F169-I173 WeakPolarHBondContact O-CD1 3.49Å; F169-I173 VanDerWaalsContact O-CG1 3.28Å; F169-I173 WeakPolarHBondContact O-CG1 3.5Å; F169-I173 PolarHBondContact O-N 2.02Å
170F55.1Low65Low146 Ų146102.1 Ų102.164%0.6457%0.569SS**Hα-helixtrans-73.5-29.9178.4-69-73.3000112.5L167 I173 A174L167-F170 HydrophobicContact CB-CD2 4.28Å; L167-F170 PolarHBondContact O-N 3.38Å; F170-I173 PolarHBondContact O-N 3.46Å; F170-A174 WeakPolarHBondContact O-CB 3.47Å; F170-A174 PolarHBondContact O-N 2.04Å
171A56.6Low62.4Low56 Ų56103.4 Ų103.446%0.46359%0.586SS.*Hα-helixtrans-64.4-40.6175.800000111.9T168 S175T168-A171 PolarHBondContact O-N 3.26Å; A171-S175 WeakPolarHBondContact O-CB 3.37Å; A171-S175 PolarHBondContact O-N 2.88Å; A171-S175 PolarHBondContact O-OG 2.9Å
172K50.1Low60.2Low159 Ų159107.9 Ų107.969%0.69160%0.601SS**Hα-helixtrans-68.6-39.5174.9-87.2-179.9177.6172.40112.7T168 F169 S175 K176T168-K172 PolarHBondContact O-N 3.43Å; F169-K172 PolarHBondContact O-N 3.27Å; K172-S175 PolarHBondContact O-N 3.15Å; K172-K176 PolarHBondContact O-N 2.73Å; K172-K176 VanDerWaalsContact O-N 3.08Å
173I56.8Low57.6Low87 Ų87114.2 Ų114.245%0.44664%0.637SS.*Hα-helixtrans-70.4-42.3179.3-61.4164.6000110.8F169 F170 S175 K176 L177F169-I173 WeakPolarHBondContact O-CD1 3.49Å; F169-I173 VanDerWaalsContact O-CG1 3.28Å; F169-I173 WeakPolarHBondContact O-CG1 3.5Å; F169-I173 PolarHBondContact O-N 2.02Å; F170-I173 PolarHBondContact O-N 3.46Å; I173-S175 VanDerWaalsContact C-N 3.31Å; I173-S175 PolarHBondContact O-N 2.94Å; I173-K176 PolarHBondContact O-N 2.63Å; I173-K176 VanDerWaalsContact O-N 3.13Å; I173-L177 HydrophobicContact CG2-CD1 3.71Å; I173-L177 PolarHBondContact O-N 2.94Å
174A55.9Low54.7Low60 Ų60114.8 Ų114.850%0.49665%0.648SS.*Hα-helixtrans-63.4-35.5174.600000112.7F170 K176 L177 K178F170-A174 WeakPolarHBondContact O-CB 3.47Å; F170-A174 PolarHBondContact O-N 2.04Å; A174-K176 VanDerWaalsContact C-N 3.33Å; A174-L177 PolarHBondContact O-N 2.97Å; A174-K178 PolarHBondContact O-N 3.25Å; A174-K178 VanDerWaalsContact O-N 3.17Å
175S51.9Low52.4Low83 Ų83120.1 Ų120.158%0.5867%0.666SS**Hα-helixtrans-68.3-32.4174.1-54.90000112.3A171 K172 I173A171-S175 WeakPolarHBondContact O-CB 3.37Å; A171-S175 PolarHBondContact O-N 2.88Å; A171-S175 PolarHBondContact O-OG 2.9Å; K172-S175 PolarHBondContact O-N 3.15Å; I173-S175 VanDerWaalsContact C-N 3.31Å; I173-S175 PolarHBondContact O-N 2.94Å
176K49Very low50.1Low180 Ų180124.3 Ų124.378%0.78368%0.68SS**Hα-helixtrans-76.1-32174.3-90.4-80.6-176.1177.60113.2K172 I173 A174K172-K176 PolarHBondContact O-N 2.73Å; K172-K176 VanDerWaalsContact O-N 3.08Å; I173-K176 PolarHBondContact O-N 2.63Å; I173-K176 VanDerWaalsContact O-N 3.13Å; A174-K176 VanDerWaalsContact C-N 3.33Å
177L51.7Low48.4Very low132 Ų132124.4 Ų124.469%0.69168%0.681SS**Hα-helixtrans-77.5-19.6176.5-91.4140.6000113.8I173 A174 T179I173-L177 HydrophobicContact CG2-CD1 3.71Å; I173-L177 PolarHBondContact O-N 2.94Å; A174-L177 PolarHBondContact O-N 2.97Å; L177-T179 PolarHBondContact O-N 3.02Å
178K45.7Very low47.3Very low192 Ų192125.9 Ų125.984%0.83569%0.688SS**THydrogen-bonded Turntrans-79.96.2177.8-159.7153.9-176.3175.30114.5A174A174-K178 PolarHBondContact O-N 3.25Å; A174-K178 VanDerWaalsContact O-N 3.17Å
179T45.6Very low46.7Very low128 Ų128125.9 Ų125.979%0.78569%0.691SS**THydrogen-bonded Turntrans-127.343.4179.4-23.70000112.5L177L177-T179 PolarHBondContact O-N 3.02Å
180G39.6Very low46.5Very low53 Ų53125.6 Ų125.655%0.54670%0.696SS.*SBendtrans-152.6138.317300000111.7
181P39.3Very low45.9Very low137 Ų137126.7 Ų126.789%0.8970%0.701SS**  trans-67.7153.6-175.1-10.626.1000112.2
182Q49.5Very low45.5Very low187 Ų187130.9 Ų130.987%0.87472%0.715SS**SBendtrans-50.9143.4-178.7-47.7-167.955.500113.4
183T37.8Very low45.4Very low149 Ų149128 Ų12891%0.91471%0.707SS**  trans140.1106.2140-44.90000109.2
184G33.8Very low44.8Very low67 Ų67127 Ų12769%0.69171%0.707SS**  trans159.399.9174.900000112F186G184-F186 PolarHBondContact O-N 2.85Å; G184-F186 VanDerWaalsContact O-N 3.12Å
185E43.1Very low43.9Very low186 Ų186130.1 Ų130.187%0.86972%0.715SS**  trans-53.2109.7169-168.1156.1139.400110V187E185-V187 PolarHBondContact O-N 3.23Å
186F36.8Very low43.7Very low176 Ų176133.9 Ų133.977%0.77272%0.718SS**  trans-90.491.8178.8-150.7-90.8000108.7G184 L188G184-F186 PolarHBondContact O-N 2.85Å; G184-F186 VanDerWaalsContact O-N 3.12Å; F186-L188 HydrophobicContact CD1-CD1 4.26Å; F186-L188 HydrophobicContact CE1-CD1 4.06Å; F186-L188 PolarHBondContact O-N 2.93Å
187V40.5Very low43.7Very low120 Ų120130.9 Ų130.973%0.72771%0.709SS**  trans-69.299.4167.4-155.80000106.7E185 S189E185-V187 PolarHBondContact O-N 3.23Å; V187-S189 PolarHBondContact O-N 3.39Å
188L44.5Very low43.4Very low121 Ų121131 Ų13163%0.63471%0.709SS**  trans-68.797.9178.4-169.372.8000108F186 D190F186-L188 HydrophobicContact CD1-CD1 4.26Å; F186-L188 HydrophobicContact CE1-CD1 4.06Å; F186-L188 PolarHBondContact O-N 2.93Å; L188-D190 PolarHBondContact O-N 3.21Å
189S45.1Very low43.3Very low79 Ų79126.3 Ų126.355%0.55270%0.701SS**  trans-69.6125.1-175.9-161.50000111.2V187 K191 L192V187-S189 PolarHBondContact O-N 3.39Å; S189-K191 PolarHBondContact O-N 3.02Å; S189-L192 PolarHBondContact O-N 2.94Å
190D48.7Very low43Very low139 Ų139129.5 Ų129.574%0.74371%0.707SS**THydrogen-bonded Turntrans-51-10-179.6-70-41.5000115.8L188L188-D190 PolarHBondContact O-N 3.21Å
191K43Very low43.1Very low169 Ų169133.4 Ų133.474%0.73572%0.715SS**Hα-helixtrans-76.4-24.2-178.6-65.4-168.7177.5-173.20114.4S189S189-K191 PolarHBondContact O-N 3.02Å
192L46.9Very low43.3Very low144 Ų144133.2 Ų133.275%0.75471%0.705SS**Hα-helixtrans-80.7-27.1180-92.7158.5000113.2S189S189-L192 PolarHBondContact O-N 2.94Å
193L49.3Very low43Very low100 Ų100130.2 Ų130.252%0.52470%0.696SS.*Hα-helixtrans-71.6-36.7172.7-97.5139.3000111.8N195 Y196 I197L193-N195 PolarHBondContact O-N 3.11Å; L193-Y196 PolarHBondContact O-N 2.91Å; L193-I197 HydrophobicContact CD2-CD1 4.19Å; L193-I197 WeakPolarHBondContact O-CG1 3.45Å; L193-I197 PolarHBondContact O-N 2.9Å
194S42.8Very low43.3Very low64 Ų64129.1 Ų129.145%0.44868%0.683SS.*Hα-helixtrans-64.5-40.1-177.4-158.90000112.9Y196 I198S194-Y196 VanDerWaalsContact C-N 3.35Å; S194-Y196 PolarHBondContact O-N 2.94Å; S194-I198 VanDerWaalsContact O-CD1 3.31Å; S194-I198 WeakPolarHBondContact O-CD1 3.34Å; S194-I198 VanDerWaalsContact O-CG1 3.31Å; S194-I198 WeakPolarHBondContact O-CG1 3.33Å
195N38.4Very low43.9Very low127 Ų127132.9 Ų132.968%0.67968%0.683SS**Hα-helixtrans-75.4-20-177.5-72.8-11.4000114.2L193L193-N195 PolarHBondContact O-N 3.11Å
196Y46.1Very low44Very low161 Ų161129.4 Ų129.463%0.63167%0.67SS**Hα-helixtrans-92-23.2179.7-158-101.9000112.9L193 S194L193-Y196 PolarHBondContact O-N 2.91Å; S194-Y196 VanDerWaalsContact C-N 3.35Å; S194-Y196 PolarHBondContact O-N 2.94Å
197I49.6Very low44.5Very low117 Ų117126.1 Ų126.160%0.666%0.663SS**Hα-helixtrans-77.5-22.6176.7-65.5173.2000111.7L193L193-I197 HydrophobicContact CD2-CD1 4.19Å; L193-I197 WeakPolarHBondContact O-CG1 3.45Å; L193-I197 PolarHBondContact O-N 2.9Å
198I46.5Very low44.8Very low134 Ų134126.5 Ų126.569%0.68766%0.658SS**SBendtrans-90.2-7.3-174.4-61168.8000113.1S194S194-I198 VanDerWaalsContact O-CD1 3.31Å; S194-I198 WeakPolarHBondContact O-CD1 3.34Å; S194-I198 VanDerWaalsContact O-CG1 3.31Å; S194-I198 WeakPolarHBondContact O-CG1 3.33Å
199S41.9Very low44.8Very low95 Ų95127 Ų12766%0.66466%0.66SS**  trans-106.48-174.1-113.40000116.3
200H39.5Very low44.8Very low195 Ų195131.4 Ų131.490%0.90367%0.67SS**  trans-141.50177.5-85.4-64000114.3Y139Y139-H200 PolarHBondContact OH-O 3.41Å

Retrieved 200 of 200 residues in 30.3 ms (Link to these results)