A0A087YFW6_POEFO Loading...

Protein-tyrosine sulfotransferase

Catalyzes the O-sulfation of tyrosine residues within acidic motifs of polypeptides, using 3'-phosphoadenylyl sulfate (PAPS) as cosubstrate.

AlphaFold DB , UniProt , Accession A0A087YFW6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 380 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
1M56.9Low71Confident221 Ų221128.5 Ų128.5100%1.08967%0.665SS**  0-26.90-83.4-176.6-83.500114.6
2I56.6Low72.2Confident131 Ų131121.4 Ų121.467%0.67264%0.64SS**Hα-helixtrans-72.4-29-175.9-70.7157000114.6K6I2-K6 PolarHBondContact O-N 2.7Å
3G64.8Low73Confident52 Ų52117.8 Ų117.854%0.53663%0.629SS.*Hα-helixtrans-69.1-43.4-179.500000114.4L5 K6 Q7G3-L5 VanDerWaalsContact C-N 3.31Å; G3-L5 PolarHBondContact O-N 3.28Å; G3-K6 PolarHBondContact O-N 2.76Å; G3-Q7 PolarHBondContact O-N 3.44Å
4K65.4Low73.9Confident168 Ų168117.4 Ų117.473%0.7363%0.626SS**Hα-helixtrans-66.3-33178.5-72-173.7175.8-176.60112.4N8K4-N8 WeakPolarHBondContact O-CB 3.04Å; K4-N8 PolarHBondContact O-N 2.98Å; K4-N8 PolarHBondContact O-ND2 2.65Å; K4-N8 PolarHBondContact O-OD1 2.92Å
5L69.6Low75Confident129 Ų129115.2 Ų115.268%0.67562%0.619SS**Hα-helixtrans-68.7-41.5177.8-170.266.6000112.1G3 L9G3-L5 VanDerWaalsContact C-N 3.31Å; G3-L5 PolarHBondContact O-N 3.28Å; L5-L9 WeakPolarHBondContact O-CB 3.44Å; L5-L9 PolarHBondContact O-N 3.27Å
6K69.6Low75.7Confident141 Ų141114.8 Ų114.861%0.61362%0.615SS**Hα-helixtrans-66-39.3176.4-74.4-174.3174.9-174.70112.5I2 G3 L9 L10I2-K6 PolarHBondContact O-N 2.7Å; G3-K6 PolarHBondContact O-N 2.76Å; K6-L9 PolarHBondContact O-N 3.32Å; K6-L10 PolarHBondContact O-N 2.86Å
7Q74.5Confident76.1Confident134 Ų134111.5 Ų111.563%0.62660%0.603SS**Hα-helixtrans-68.4-41179-163.7163.1-0.500111.7G3 L9 L10 V11G3-Q7 PolarHBondContact O-N 3.44Å; Q7-L9 VanDerWaalsContact C-N 3.34Å; Q7-L9 PolarHBondContact O-N 3.15Å; Q7-L10 PolarHBondContact O-N 3.15Å; Q7-V11 WeakPolarHBondContact O-CG2 3.38Å; Q7-V11 PolarHBondContact O-N 2.99Å; Q7-V11 VanDerWaalsContact O-N 3.1Å
8N76.7Confident76.5Confident112 Ų112109 Ų10960%0.59960%0.595SS**Hα-helixtrans-66-35.8175.2-68.8-6.4000112.5K4 A12K4-N8 WeakPolarHBondContact O-CB 3.04Å; K4-N8 PolarHBondContact O-N 2.98Å; K4-N8 PolarHBondContact O-ND2 2.65Å; K4-N8 PolarHBondContact O-OD1 2.92Å; N8-A12 WeakPolarHBondContact O-CB 3.36Å; N8-A12 PolarHBondContact O-N 3.2Å
9L81.5Confident77.1Confident121 Ų121107.4 Ų107.463%0.63459%0.589SS**Hα-helixtrans-68.7-40.4177.2-162.375.1000112L5 K6 Q7 A12 C13L5-L9 WeakPolarHBondContact O-CB 3.44Å; L5-L9 PolarHBondContact O-N 3.27Å; K6-L9 PolarHBondContact O-N 3.32Å; Q7-L9 VanDerWaalsContact C-N 3.34Å; Q7-L9 PolarHBondContact O-N 3.15Å; L9-A12 PolarHBondContact O-N 3.44Å; L9-C13 PolarHBondContact O-N 3.02Å; L9-C13 PolarHBondContact O-SG 3.36Å; L9-C13 VanDerWaalsContact O-SG 3.38Å
10L81.1Confident77.4Confident118 Ų118105.5 Ų105.562%0.61858%0.581SS**Hα-helixtrans-63.3-43.3175.6-88158.3000111.9K6 Q7 C13 L14K6-L10 PolarHBondContact O-N 2.86Å; Q7-L10 PolarHBondContact O-N 3.15Å; L10-C13 PolarHBondContact O-N 3Å; L10-L14 WeakPolarHBondContact O-CB 3.1Å; L10-L14 PolarHBondContact O-N 3.1Å
11V84.6Confident77.8Confident86 Ų86105.5 Ų105.552%0.52158%0.583SS.*Hα-helixtrans-64.3-42.4176.2174.50000110.8Q7 C13 L14 V15Q7-V11 WeakPolarHBondContact O-CG2 3.38Å; Q7-V11 PolarHBondContact O-N 2.99Å; Q7-V11 VanDerWaalsContact O-N 3.1Å; V11-C13 PolarHBondContact O-N 2.99Å; V11-L14 PolarHBondContact O-N 3.2Å; V11-V15 HydrophobicContact CG1-CG2 4.48Å; V11-V15 WeakPolarHBondContact O-CG2 3.44Å; V11-V15 PolarHBondContact O-N 3.44Å
12A84.8Confident79Confident44 Ų44101 Ų10136%0.36456%0.558SS.*Hα-helixtrans-61.3-44.5176.300000112.3N8 L9 L14 V15 I16N8-A12 WeakPolarHBondContact O-CB 3.36Å; N8-A12 PolarHBondContact O-N 3.2Å; L9-A12 PolarHBondContact O-N 3.44Å; A12-L14 VanDerWaalsContact C-N 3.33Å; A12-L14 PolarHBondContact O-N 2.97Å; A12-V15 PolarHBondContact O-N 2.93Å; A12-I16 WeakPolarHBondContact O-CD1 3.47Å; A12-I16 VanDerWaalsContact O-CG1 3.25Å; A12-I16 WeakPolarHBondContact O-CG1 3.43Å; A12-I16 PolarHBondContact O-N 2.99Å
13C82.4Confident80Confident75 Ų75102.6 Ų102.651%0.50756%0.557SS.*Hα-helixtrans-61.9-40.5176.3-73.20000112.3L9 L10 V11 I16 S17L9-C13 PolarHBondContact O-N 3.02Å; L9-C13 PolarHBondContact O-SG 3.36Å; L9-C13 VanDerWaalsContact O-SG 3.38Å; L10-C13 PolarHBondContact O-N 3Å; V11-C13 PolarHBondContact O-N 2.99Å; C13-I16 PolarHBondContact O-N 2.87Å; C13-S17 WeakPolarHBondContact O-CB 3.35Å; C13-S17 PolarHBondContact O-N 3.08Å; C13-S17 PolarHBondContact O-OG 3.12Å
14L86.2Confident80.6Confident112 Ų112105.9 Ų105.959%0.58656%0.562SS**Hα-helixtrans-65.8-39.9178.2-121.2146.1000112L10 V11 A12 S17 S18L10-L14 WeakPolarHBondContact O-CB 3.1Å; L10-L14 PolarHBondContact O-N 3.1Å; V11-L14 PolarHBondContact O-N 3.2Å; A12-L14 VanDerWaalsContact C-N 3.33Å; A12-L14 PolarHBondContact O-N 2.97Å; L14-S17 PolarHBondContact O-OG 2.9Å; L14-S18 WeakPolarHBondContact O-CB 3.07Å; L14-S18 PolarHBondContact O-N 3.4Å; L14-S18 PolarHBondContact O-OG 2.87Å
15V89.7Confident81Confident84 Ų8499.6 Ų99.651%0.50954%0.544SS..Hα-helixtrans-66.6-45175.81740000110.5V11 A12 S17 S18 V19V11-V15 HydrophobicContact CG1-CG2 4.48Å; V11-V15 WeakPolarHBondContact O-CG2 3.44Å; V11-V15 PolarHBondContact O-N 3.44Å; A12-V15 PolarHBondContact O-N 2.93Å; V15-S17 PolarHBondContact O-N 3.3Å; V15-S18 PolarHBondContact O-N 3.35Å; V15-V19 HydrophobicContact CG1-CG2 4.39Å; V15-V19 VanDerWaalsContact O-CG2 3.31Å; V15-V19 WeakPolarHBondContact O-CG2 3.48Å; V15-V19 PolarHBondContact O-N 3.37Å
16I87.6Confident81.1Confident109 Ų109101.2 Ų101.256%0.55954%0.542SS*.Hα-helixtrans-63.3-43.7179.5-66.7164.3000111.2A12 C13 S18 V19 T20A12-I16 WeakPolarHBondContact O-CD1 3.47Å; A12-I16 VanDerWaalsContact O-CG1 3.25Å; A12-I16 WeakPolarHBondContact O-CG1 3.43Å; A12-I16 PolarHBondContact O-N 2.99Å; C13-I16 PolarHBondContact O-N 2.87Å; I16-S18 VanDerWaalsContact C-N 3.34Å; I16-S18 PolarHBondContact O-N 3.01Å; I16-V19 PolarHBondContact O-N 3.22Å; I16-T20 WeakPolarHBondContact O-CB 3.14Å; I16-T20 PolarHBondContact O-N 3.04Å; I16-T20 PolarHBondContact O-OG1 3.31Å
17S82.1Confident80.7Confident59 Ų59100.7 Ų100.741%0.41354%0.541SS..Hα-helixtrans-63.9-41177.664.70000111.7C13 L14 V15 T20 V21C13-S17 WeakPolarHBondContact O-CB 3.35Å; C13-S17 PolarHBondContact O-N 3.08Å; C13-S17 PolarHBondContact O-OG 3.12Å; L14-S17 PolarHBondContact O-OG 2.9Å; V15-S17 PolarHBondContact O-N 3.3Å; S17-T20 PolarHBondContact O-N 2.89Å; S17-V21 WeakPolarHBondContact O-CG2 3.5Å; S17-V21 PolarHBondContact O-N 3.23Å
18S83.1Confident80Confident66 Ų6697.1 Ų97.146%0.46253%0.534SS..Hα-helixtrans-64.9-44179.9-54.40000111.9L14 V15 I16 T20 F22L14-S18 WeakPolarHBondContact O-CB 3.07Å; L14-S18 PolarHBondContact O-N 3.4Å; L14-S18 PolarHBondContact O-OG 2.87Å; V15-S18 PolarHBondContact O-N 3.35Å; I16-S18 VanDerWaalsContact C-N 3.34Å; I16-S18 PolarHBondContact O-N 3.01Å; S18-T20 VanDerWaalsContact C-N 3.35Å; S18-F22 WeakPolarHBondContact O-CB 3.47Å; S18-F22 PolarHBondContact O-N 3.01Å
19V88.2Confident79.1Confident78 Ų7898.5 Ų98.547%0.47354%0.539SS..Hα-helixtrans-65.9-39177.1173.50000111.1V15 I16 F22 Y23V15-V19 HydrophobicContact CG1-CG2 4.39Å; V15-V19 VanDerWaalsContact O-CG2 3.31Å; V15-V19 WeakPolarHBondContact O-CG2 3.48Å; V15-V19 PolarHBondContact O-N 3.37Å; I16-V19 PolarHBondContact O-N 3.22Å; V19-F22 PolarHBondContact O-N 3.48Å; V19-Y23 HydrophobicContact CG1-CD2 4.18Å; V19-Y23 WeakPolarHBondContact O-CB 3.4Å; V19-Y23 PolarHBondContact O-N 3.3Å
20T83.3Confident77.8Confident70 Ų7098.2 Ų98.243%0.42954%0.538SS..Hα-helixtrans-66.8-43.7179.7-520000111.7I16 S17 S18 F22 Y23 L24I16-T20 WeakPolarHBondContact O-CB 3.14Å; I16-T20 PolarHBondContact O-N 3.04Å; I16-T20 PolarHBondContact O-OG1 3.31Å; S17-T20 PolarHBondContact O-N 2.89Å; S18-T20 VanDerWaalsContact C-N 3.35Å; T20-F22 VanDerWaalsContact C-N 3.33Å; T20-F22 PolarHBondContact O-N 3.48Å; T20-Y23 PolarHBondContact O-N 3.08Å; T20-L24 HydrophobicContact CG2-CD1 4.1Å; T20-L24 WeakPolarHBondContact O-CB 3.36Å; T20-L24 WeakPolarHBondContact O-CG 3.42Å; T20-L24 PolarHBondContact O-N 3.45Å
21V84.4Confident76.3Confident105 Ų10597.1 Ų97.164%0.63654%0.539SS*.Hα-helixtrans-63.3-40.5175.5171.90000111S17 G25S17-V21 WeakPolarHBondContact O-CG2 3.5Å; S17-V21 PolarHBondContact O-N 3.23Å; V21-G25 PolarHBondContact O-N 3.09Å
22F83.3Confident74.6Confident127 Ų12799.8 Ų99.856%0.55755%0.546SS*.Hα-helixtrans-66.7-40.1177.6-164.4-94.5000112.6S18 V19 T20 G25 R26S18-F22 WeakPolarHBondContact O-CB 3.47Å; S18-F22 PolarHBondContact O-N 3.01Å; V19-F22 PolarHBondContact O-N 3.48Å; T20-F22 VanDerWaalsContact C-N 3.33Å; T20-F22 PolarHBondContact O-N 3.48Å; F22-G25 PolarHBondContact O-N 3.26Å; F22-R26 HydrophobicContact CE1-CG 4.37Å; F22-R26 PolarHBondContact O-N 3.27Å
23Y78.2Confident72.6Confident164 Ų164103.8 Ų103.864%0.64356%0.556SS**Hα-helixtrans-66.7-43.2176.4-112-89000112.6V19 T20 G25 R26 H27V19-Y23 HydrophobicContact CG1-CD2 4.18Å; V19-Y23 WeakPolarHBondContact O-CB 3.4Å; V19-Y23 PolarHBondContact O-N 3.3Å; T20-Y23 PolarHBondContact O-N 3.08Å; Y23-G25 VanDerWaalsContact C-N 3.34Å; Y23-R26 PolarHBondContact O-N 3.43Å; Y23-H27 PolarHBondContact O-N 3.01Å; Y23-H27 VanDerWaalsContact O-N 3.14Å
24L76.8Confident70.5Confident122 Ų122110.3 Ų110.364%0.63957%0.57SS**Hα-helixtrans-65-38.7175.3-73.7172000111.7T20 H27 A28T20-L24 HydrophobicContact CG2-CD1 4.1Å; T20-L24 WeakPolarHBondContact O-CB 3.36Å; T20-L24 WeakPolarHBondContact O-CG 3.42Å; T20-L24 PolarHBondContact O-N 3.45Å; L24-H27 PolarHBondContact O-N 2.89Å; L24-A28 PolarHBondContact O-N 3.16Å; L24-A28 VanDerWaalsContact O-N 3.08Å
25G73.2Confident68.3Low36 Ų36108.9 Ų108.937%0.37157%0.57SS.*Hα-helixtrans-63.5-41.1175.500000113.2V21 F22 Y23 A28 M29V21-G25 PolarHBondContact O-N 3.09Å; F22-G25 PolarHBondContact O-N 3.26Å; Y23-G25 VanDerWaalsContact C-N 3.34Å; G25-A28 PolarHBondContact O-N 2.78Å; G25-M29 WeakPolarHBondContact O-CG 3.47Å; G25-M29 PolarHBondContact O-N 3.34Å
26R71.3Confident65.9Low163 Ų163111.6 Ų111.662%0.61558%0.577SS**Hα-helixtrans-64.3-42.6174.4-87.8-170.4158.8166.8-3.6112.7F22 Y23 A28 M29 D30F22-R26 HydrophobicContact CE1-CG 4.37Å; F22-R26 PolarHBondContact O-N 3.27Å; Y23-R26 PolarHBondContact O-N 3.43Å; R26-A28 VanDerWaalsContact C-N 3.31Å; R26-A28 PolarHBondContact O-N 3.16Å; R26-M29 PolarHBondContact O-N 2.9Å; R26-D30 PolarHBondContact O-N 3.22Å; R26-D30 VanDerWaalsContact O-N 3.15Å
27H62.2Low63.4Low129 Ų129114.1 Ų114.160%0.59759%0.587SS**Hα-helixtrans-64.7-34177.6-108.6-73.7000113.3Y23 L24 C31Y23-H27 PolarHBondContact O-N 3.01Å; Y23-H27 VanDerWaalsContact O-N 3.14Å; L24-H27 PolarHBondContact O-N 2.89Å; H27-C31 PolarHBondContact O-N 3.35Å
28A60.5Low61.1Low59 Ų59122.5 Ų122.549%0.48861%0.609SS.*Hα-helixtrans-69-35.8175.900000112.4L24 G25 R26 H32L24-A28 PolarHBondContact O-N 3.16Å; L24-A28 VanDerWaalsContact O-N 3.08Å; G25-A28 PolarHBondContact O-N 2.78Å; R26-A28 VanDerWaalsContact C-N 3.31Å; R26-A28 PolarHBondContact O-N 3.16Å; A28-H32 PolarHBondContact O-N 3.19Å
29M57.2Low58.8Low141 Ų141123.5 Ų123.570%0.69562%0.616SS**Hα-helixtrans-71.4-37.8177.7-67.3-130.4-69.500112.7G25 R26 C31 H32 H33G25-M29 WeakPolarHBondContact O-CG 3.47Å; G25-M29 PolarHBondContact O-N 3.34Å; R26-M29 PolarHBondContact O-N 2.9Å; M29-C31 VanDerWaalsContact C-N 3.3Å; M29-C31 PolarHBondContact O-N 3.26Å; M29-H32 PolarHBondContact O-N 3.45Å; M29-H33 PolarHBondContact O-N 2.7Å
30D53.7Low56Low116 Ų116128.8 Ų128.862%0.6264%0.635SS**Hα-helixtrans-67.7-28.8176-75.7-17.5000112.8R26R26-D30 PolarHBondContact O-N 3.22Å; R26-D30 VanDerWaalsContact O-N 3.15Å
31C49.9Very low54Low95 Ų95131.5 Ų131.564%0.64265%0.654SS**Hα-helixtrans-71.5-33172.5-89.50000112.9H27 M29H27-C31 PolarHBondContact O-N 3.35Å; M29-C31 VanDerWaalsContact C-N 3.3Å; M29-C31 PolarHBondContact O-N 3.26Å
32H48.8Very low51.3Low141 Ų141130.3 Ų130.365%0.65366%0.663SS**Hα-helixtrans-72.4-41.8178.7-116.3-64.7000112A28 M29 R34 S35A28-H32 PolarHBondContact O-N 3.19Å; M29-H32 PolarHBondContact O-N 3.45Å; H32-R34 VanDerWaalsContact C-N 3.26Å; H32-R34 PolarHBondContact O-N 3.11Å; H32-S35 PolarHBondContact O-N 3.01Å
33H41.8Very low48.8Very low128 Ų128127.9 Ų127.959%0.59367%0.674SS**Hα-helixtrans-68.5-25.1-177.7-144.9-52000113.1M29M29-H33 PolarHBondContact O-N 2.7Å
34R39.6Very low46.6Very low212 Ų212127.3 Ų127.380%0.869%0.687SS**Hα-helixtrans-83.5-10.8178.8-146.6174-178.9-178.10.2113.9H32H32-R34 VanDerWaalsContact C-N 3.26Å; H32-R34 PolarHBondContact O-N 3.11Å
35S39.5Very low44.5Very low83 Ų83128.9 Ų128.958%0.5870%0.695SS**Hα-helixtrans-90.5-26.3176.5-166.40000112.8H32H32-S35 PolarHBondContact O-N 3.01Å
36E39.8Very low42.4Very low140 Ų140132.4 Ų132.465%0.65471%0.711SS**Hα-helixtrans-79.9-25.7-177-75.9-175.1150.900113.7R38 S39E36-R38 VanDerWaalsContact C-N 3.31Å; E36-R38 PolarHBondContact O-N 3.16Å; E36-S39 PolarHBondContact O-OG 3.29Å
37E35.4Very low40.6Very low163 Ų163133 Ų13376%0.76273%0.726SS**THydrogen-bonded Turntrans-78.4-3.4-179.5-76.4-174.1159.700115.2
38R32.9Very low39.2Very low234 Ų234132.1 Ų132.188%0.88373%0.734SS**THydrogen-bonded Turntrans-104.55.3-179.5-89.8-176.7177.3-178.5-0.8115.6E36E36-R38 VanDerWaalsContact C-N 3.31Å; E36-R38 PolarHBondContact O-N 3.16Å
39S34.7Very low37.8Very low87 Ų87133.8 Ų133.861%0.60875%0.748SS**  trans-108.192.8179.715.80000111.5E36E36-S39 PolarHBondContact O-OG 3.29Å
40H30.4Very low36.9Very low189 Ų189135.1 Ų135.188%0.87576%0.757SS**  trans-114.8145.8155.6-88.5-0.8000110.3
41P39.8Very low35.8Very low128 Ų128134 Ų13483%0.83177%0.773SS**  trans-96.5116.9-156.729.5-17000111.3
42G29.5Very low35.2Very low80 Ų80132 Ų13283%0.82577%0.768SS**  trans-102.2105.4170.600000111.6
43G29.6Very low34.9Very low75 Ų75127.9 Ų127.977%0.77376%0.756SS**  trans57102.2146.700000119.3L45G43-L45 PolarHBondContact O-N 3.24Å
44V33.1Very low35.1Very low152 Ų152129.4 Ų129.492%0.92177%0.765SS**PPolyproline II helixtrans-69.9120.5160.5-179.50000109
45L31Very low35.9Very low155 Ų155128.9 Ų128.981%0.81276%0.763SS**PPolyproline II helixtrans-101.5145.7162.8-83.9164.3000109.4G43G43-L45 PolarHBondContact O-N 3.24Å
46P30.6Very low37.2Very low110 Ų110127.5 Ų127.571%0.71475%0.751SS**PPolyproline II helixtrans-69.8137.3-170.8-13.127.9000112.9S48P46-S48 PolarHBondContact O-N 3.49Å; P46-S48 VanDerWaalsContact O-N 3.1Å
47L32.8Very low38.1Very low176 Ų176125 Ų12592%0.92175%0.745SS**SBendtrans-78.779.3179.5-158.684.4000110.4
48S32.8Very low38.8Very low110 Ų110118.8 Ų118.877%0.76972%0.717SS**  trans-149.23017460.60000115.6P46P46-S48 PolarHBondContact O-N 3.49Å; P46-S48 VanDerWaalsContact O-N 3.1Å
49A32.1Very low39.4Very low95 Ų95119 Ų11979%0.78572%0.718SS**  trans-150.427.6179.800000117.1
50L37Very low39.8Very low169 Ų169117.4 Ų117.489%0.88571%0.705SS**  trans-11766.3179.1-76.6162.3000112.4
51G31.4Very low40.4Very low91 Ų91112.7 Ų112.794%0.93871%0.707SS**  trans-106.330.8159.900000112.1
52G35.9Very low40.5Very low53 Ų53114 Ų11455%0.54670%0.702SS.*SBendtrans-121126.6-172.700000112.6M54G52-M54 PolarHBondContact O-N 3.17Å
53S43.1Very low41Very low56 Ų56118.8 Ų118.839%0.39271%0.709SS.*  trans-43.5124.8169.3-172.10000110.8R55 D73S53-R55 PolarHBondContact O-N 2.92Å; S53-R55 VanDerWaalsContact O-N 3.13Å; S53-D73 PolarHBondContact OG-OD2 3.45Å
54M47Very low41.8Very low160 Ų160120.4 Ų120.479%0.78870%0.7SS**  trans-58.2115.6178-93.317938.100110G52G52-M54 PolarHBondContact O-N 3.17Å
55R55.1Low42.6Very low200 Ų200119.3 Ų119.376%0.75570%0.698SS**  trans-97.3120.1176.8-70179.9178.4-177.7-1.1109.4S53 V69S53-R55 PolarHBondContact O-N 2.92Å; S53-R55 VanDerWaalsContact O-N 3.13Å; R55-V69 HydrophobicContact CB-CG1 3.95Å; R55-V69 HydrophobicContact CG-CG1 4.07Å
56T67Low43.7Very low54 Ų54116.7 Ų116.733%0.33169%0.689SS.*EExtended strand (participates in β ladder)trans-100.1138172.2-50.80000109.4V69 Y70T56-V69 WeakPolarHBondContact O-CA 3.28Å; T56-Y70 HydrophobicContact CG2-CE1 4.14Å; T56-Y70 HydrophobicContact CG2-CE2 4.07Å; T56-Y70 WeakPolarHBondContact CG2-OH 3.19Å; T56-Y70 PolarHBondContact N-O 2.77Å; T56-Y70 PolarHBondContact O-N 3.46Å
57T58.2Low45.4Very low87 Ų87114.6 Ų114.653%0.53468%0.675SS.*EExtended strand (participates in β ladder)trans-112.7130.8-178.747.90000110.8P67 V69T57-P67 HydrophobicContact CG2-CB 3.82Å; T57-P67 HydrophobicContact CG2-CG 4.37Å; T57-V69 HydrophobicContact CG2-CG2 4.09Å
58L50.3Low47.7Very low34 Ų34108.6 Ų108.618%0.17864%0.642CS.*EExtended strand (participates in β ladder)trans-98.9130169.6-163.479.3000109.6T60 F68 Y70 K153L58-T60 HydrophobicContact CD2-CG2 3.53Å; L58-T60 HydrophobicContact CG-CG2 4.18Å; L58-F68 HydrophobicContact CB-CB 4.27Å; L58-F68 PolarHBondContact N-O 2.97Å; L58-F68 PolarHBondContact O-N 3.25Å; L58-Y70 HydrophobicContact CB-CE1 4.32Å; L58-K153 HydrophobicContact CD1-CD 4.02Å; L58-K153 VanDerWaalsContact CD1-CE 3.42Å; L58-K153 HydrophobicContact CD1-CG 3.98Å
59R45.6Very low50.2Low238 Ų238106.8 Ų106.890%0.89863%0.626SS**  trans-99.7104.6163.1-72.2-172.7177.4-166.9-0.8108
60T44.8Very low53Low54 Ų54102.4 Ų102.433%0.33159%0.589SS.*  trans-81.4144.5171.944.10000109.9L58 Q62L58-T60 HydrophobicContact CD2-CG2 3.53Å; L58-T60 HydrophobicContact CG-CG2 4.18Å; T60-Q62 PolarHBondContact O-N 2.92Å
61G42.7Very low55.8Low90 Ų9096 Ų9693%0.92856%0.556SS**SBendtrans-72.929.5-176.800000115.5
62Q42Very low58.7Low154 Ų15494.9 Ų94.972%0.7253%0.525SS*.SBendtrans-133.6141171.7-70.8-172.5-21.200107.8T60 L64T60-Q62 PolarHBondContact O-N 2.92Å; Q62-L64 PolarHBondContact O-N 3.34Å
63N39.9Very low61.6Low182 Ų18294.7 Ų94.797%0.97351%0.512SS*.  trans-52.375-176.2-82-26.1000113.8
64L45.1Very low64.1Low109 Ų10993 Ų9357%0.57150%0.498SS*.  trans-104.5110.4164-81.9142.5000106Q62 T66Q62-L64 PolarHBondContact O-N 3.34Å; L64-T66 PolarHBondContact O-N 2.92Å
65S49.8Very low66.4Low128 Ų12887.3 Ų87.390%0.89547%0.473SS*.SBendtrans-65.72.8-178.339.50000114.2
66T55.6Low68.5Low101 Ų10177.9 Ų77.962%0.6244%0.437SS*.SBendtrans-135.1130.5177.642.20000111.4L64L64-T66 PolarHBondContact O-N 2.92Å
67P66.2Low70Confident65 Ų6575.5 Ų75.542%0.42242%0.423SS..  trans-63.9136.9174.2-11.123000110.7T57 V69T57-P67 HydrophobicContact CG2-CB 3.82Å; T57-P67 HydrophobicContact CG2-CG 4.37Å; P67-V69 PolarHBondContact O-N 3.36Å
68F79.4Confident72Confident51 Ų5171.4 Ų71.422%0.22440%0.397CS..EExtended strand (participates in β ladder)trans-70.6114.2171-177.5-97000108.6L58 Y70 V152 P157 L161L58-F68 HydrophobicContact CB-CB 4.27Å; L58-F68 PolarHBondContact N-O 2.97Å; L58-F68 PolarHBondContact O-N 3.25Å; F68-Y70 AromaticContact CD1-CD1 3.89Å; F68-Y70 HydrophobicContact CD1-CD1 3.89Å; F68-Y70 HydrophobicContact CE1-CD1 4.12Å; F68-V152 HydrophobicContact CD1-CG1 4.02Å; F68-V152 HydrophobicContact CE1-CG1 3.78Å; F68-V152 HydrophobicContact CE1-CG2 4.48Å; F68-P157 HydrophobicContact CD2-CB 4.04Å; F68-P157 HydrophobicContact CE2-CB 4.2Å; F68-P157 HydrophobicContact CG-CB 4.39Å; F68-L161 HydrophobicContact CE1-CD1 4.27Å; F68-L161 HydrophobicContact CZ-CD1 4.16Å; F68-L161 HydrophobicContact CZ-CG 4.43Å
69V85.4Confident74.3Confident71 Ų7169.8 Ų69.843%0.4339%0.389SS..EExtended strand (participates in β ladder)trans-98.8126.1-178-175.80000109.5R55 T56 T57 P67R55-V69 HydrophobicContact CB-CG1 3.95Å; R55-V69 HydrophobicContact CG-CG1 4.07Å; T56-V69 WeakPolarHBondContact O-CA 3.28Å; T57-V69 HydrophobicContact CG2-CG2 4.09Å; P67-V69 PolarHBondContact O-N 3.36Å
70Y91.6Very high76.8Confident4 Ų458.5 Ų58.52%0.01635%0.346CS..EExtended strand (participates in β ladder)trans-131.5151.1175.758-84.3000111.4T56 L58 F68 L148 E149 V152 K153T56-Y70 HydrophobicContact CG2-CE1 4.14Å; T56-Y70 HydrophobicContact CG2-CE2 4.07Å; T56-Y70 WeakPolarHBondContact CG2-OH 3.19Å; T56-Y70 PolarHBondContact N-O 2.77Å; T56-Y70 PolarHBondContact O-N 3.46Å; L58-Y70 HydrophobicContact CB-CE1 4.32Å; F68-Y70 AromaticContact CD1-CD1 3.89Å; F68-Y70 HydrophobicContact CD1-CD1 3.89Å; F68-Y70 HydrophobicContact CE1-CD1 4.12Å; Y70-L148 HydrophobicContact CD2-CB 4.18Å; Y70-L148 HydrophobicContact CE2-CB 4.3Å; Y70-E149 PolarHBondContact OH-OE1 2.84Å; Y70-V152 HydrophobicContact CD1-CB 4.43Å; Y70-V152 HydrophobicContact CD1-CG1 3.77Å; Y70-V152 HydrophobicContact CD1-CG2 4.1Å; Y70-V152 HydrophobicContact CD2-CB 4.44Å; Y70-V152 HydrophobicContact CD2-CG2 3.66Å; Y70-V152 HydrophobicContact CE1-CB 4.43Å; Y70-V152 HydrophobicContact CE1-CG1 3.76Å; Y70-V152 HydrophobicContact CE1-CG2 4.49Å; Y70-V152 HydrophobicContact CE2-CB 4.42Å; Y70-V152 HydrophobicContact CE2-CG2 4.09Å; Y70-V152 HydrophobicContact CG-CB 4.42Å; Y70-V152 HydrophobicContact CG-CG1 4.2Å; Y70-V152 HydrophobicContact CG-CG2 3.64Å; Y70-K153 VanDerWaalsContact OH-CE 3.25Å; Y70-K153 WeakPolarHBondContact OH-CE 3.31Å
71N95Very high79.4Confident34 Ų3455.9 Ų55.918%0.18233%0.33CS..  trans-157.7175.8177.563.457.8000110.1D73 M74N71-D73 PolarHBondContact O-N 3.03Å; N71-D73 VanDerWaalsContact O-N 3.16Å; N71-D73 WeakPolarHBondContact OD1-CA 3.44Å; N71-D73 WeakPolarHBondContact OD1-CB 3.44Å; N71-D73 PolarHBondContact OD1-N 3.23Å; N71-M74 VanDerWaalsContact O-CG 3.25Å; N71-M74 WeakPolarHBondContact O-CG 3.23Å; N71-M74 PolarHBondContact O-N 3.04Å; N71-M74 PolarHBondContact OD1-N 3.37Å
72K93.6Very high82.1Confident67 Ų6751.6 Ų51.629%0.29129%0.286SS..THydrogen-bonded Turntrans-63.8-16.9-177.867.1173-176.566.40115.2Q144 F179K72-Q144 HydrophobicContact CB-CG 4.37Å; K72-F179 HydrophobicContact CB-CD1 4.14Å; K72-F179 HydrophobicContact CB-CE1 4.27Å
73D95.9Very high84.8Confident50 Ų5045.2 Ų45.227%0.26726%0.258SS..THydrogen-bonded Turntrans-95.86.3-176.5-52.8-53.6000112S53 N71 R181S53-D73 PolarHBondContact OG-OD2 3.45Å; N71-D73 PolarHBondContact O-N 3.03Å; N71-D73 VanDerWaalsContact O-N 3.16Å; N71-D73 WeakPolarHBondContact OD1-CA 3.44Å; N71-D73 WeakPolarHBondContact OD1-CB 3.44Å; N71-D73 PolarHBondContact OD1-N 3.23Å; D73-R181 VanDerWaalsContact O-CD 3.27Å; D73-R181 WeakPolarHBondContact O-CD 3.35Å
74M95.4Very high87.5Confident21 Ų2137.6 Ų37.610%0.10322%0.215CC..SBendtrans-71.8150.7174.676.1-173.3-65.600112N71 L76 L148 L161N71-M74 VanDerWaalsContact O-CG 3.25Å; N71-M74 WeakPolarHBondContact O-CG 3.23Å; N71-M74 PolarHBondContact O-N 3.04Å; N71-M74 PolarHBondContact OD1-N 3.37Å; M74-L76 VanDerWaalsContact C-N 3.34Å; M74-L76 HydrophobicContact CE-CD2 4.07Å; M74-L76 HydrophobicContact CG-CD2 3.7Å; M74-L76 HydrophobicContact CG-CG 3.74Å; M74-L76 PolarHBondContact O-N 3.21Å; M74-L76 HydrophobicContact SD-CD2 3.75Å; M74-L76 HydrophobicContact SD-CG 4.38Å; M74-L148 HydrophobicContact SD-CD2 3.86Å; M74-L161 HydrophobicContact CE-CB 4.08Å; M74-L161 HydrophobicContact CE-CD1 3.56Å; M74-L161 HydrophobicContact CE-CG 3.73Å; M74-L161 HydrophobicContact SD-CD1 4.47Å
75P96.9Very high90.1Very high40 Ų4032.4 Ų32.426%0.2619%0.188SC..  trans-76.382.7-179.932.1-34.9000111.1F160P75-F160 HydrophobicContact CG-CD1 4.19Å; P75-F160 HydrophobicContact CG-CE1 4.3Å
76L98.6Very high92.4Very high2 Ų227 Ų271%0.0115%0.153CC..  trans-77.3145.7175.9-65.8178.5000111.8M74 F78 L148 I151 L161 F179 A182 K183M74-L76 VanDerWaalsContact C-N 3.34Å; M74-L76 HydrophobicContact CE-CD2 4.07Å; M74-L76 HydrophobicContact CG-CD2 3.7Å; M74-L76 HydrophobicContact CG-CG 3.74Å; M74-L76 PolarHBondContact O-N 3.21Å; M74-L76 HydrophobicContact SD-CD2 3.75Å; M74-L76 HydrophobicContact SD-CG 4.38Å; L76-F78 HydrophobicContact CB-CD2 4.27Å; L76-F78 HydrophobicContact CB-CE2 3.68Å; L76-F78 HydrophobicContact CB-CZ 4.38Å; L76-F78 HydrophobicContact CD1-CE2 3.92Å; L76-F78 HydrophobicContact CD1-CZ 3.94Å; L76-F78 HydrophobicContact CG-CE2 4.46Å; L76-L148 HydrophobicContact CD1-CD2 4.02Å; L76-I151 HydrophobicContact CD1-CD1 4.28Å; L76-I151 HydrophobicContact CD2-CG2 4.11Å; L76-L161 WeakPolarHBondContact CA-O 3.3Å; L76-L161 HydrophobicContact CD2-CB 3.86Å; L76-F179 HydrophobicContact CD1-CB 4.41Å; L76-F179 HydrophobicContact CD1-CD1 3.84Å; L76-F179 HydrophobicContact CD1-CD2 4.08Å; L76-F179 HydrophobicContact CD1-CE1 4.09Å; L76-F179 HydrophobicContact CD1-CE2 4.29Å; L76-F179 HydrophobicContact CD1-CG 3.85Å; L76-F179 HydrophobicContact CD1-CZ 4.29Å; L76-A182 HydrophobicContact CB-CB 4.12Å; L76-A182 CarbonylContact O-C 3.56Å; L76-A182 WeakPolarHBondContact O-CA 3.38Å; L76-K183 PolarHBondContact O-N 3.04Å
77I98.9Very high94.5Very high4 Ų422.5 Ų22.52%0.02113%0.125CC..EExtended strand (participates in β ladder)trans-111.2125.7173.3-55.3161.7000108.5I79 V100 F160 L161 C162 N163 K183 V185 L261I77-I79 HydrophobicContact CG2-CG1 4.22Å; I77-V100 HydrophobicContact CD1-CG1 4.09Å; I77-F160 HydrophobicContact CD1-CB 4.16Å; I77-L161 PolarHBondContact N-O 3.34Å; I77-C162 HydrophobicContact CB-CB 3.89Å; I77-C162 HydrophobicContact CD1-CB 4.46Å; I77-C162 HydrophobicContact CG2-CB 4.43Å; I77-C162 CarbonylContact O-C 3.51Å; I77-C162 WeakPolarHBondContact O-CA 3.43Å; I77-N163 PolarHBondContact O-N 3.44Å; I77-K183 CarbonylContact C-O 3.09Å; I77-K183 WeakPolarHBondContact CA-O 3.4Å; I77-V185 HydrophobicContact CG2-CG2 4.33Å; I77-L261 HydrophobicContact CD1-CD1 3.91Å; I77-L261 HydrophobicContact CD1-CD2 4.49Å; I77-L261 HydrophobicContact CG1-CD1 4.38Å; I77-L261 HydrophobicContact CG1-CD2 4.09Å; I77-L261 HydrophobicContact CG2-CD1 4.31Å; I77-L261 HydrophobicContact CG2-CD2 4.14Å
78F98.9Very high96Very high1 Ų119.5 Ų19.50%0.00411%0.106CC..EExtended strand (participates in β ladder)trans-114.7117.4174.5-70.8-88.5000110.4L76 I151 N163 L169 L175 F179 A182 K183 F184 V185L76-F78 HydrophobicContact CB-CD2 4.27Å; L76-F78 HydrophobicContact CB-CE2 3.68Å; L76-F78 HydrophobicContact CB-CZ 4.38Å; L76-F78 HydrophobicContact CD1-CE2 3.92Å; L76-F78 HydrophobicContact CD1-CZ 3.94Å; L76-F78 HydrophobicContact CG-CE2 4.46Å; F78-I151 HydrophobicContact CE1-CD1 3.84Å; F78-I151 HydrophobicContact CZ-CD1 3.81Å; F78-N163 WeakPolarHBondContact CA-O 3.27Å; F78-N163 HydrophobicContact CD1-CB 4.04Å; F78-N163 HydrophobicContact CE1-CB 4.13Å; F78-L169 HydrophobicContact CB-CD1 4.17Å; F78-L175 HydrophobicContact CD1-CD1 4.09Å; F78-L175 HydrophobicContact CE1-CD1 4.25Å; F78-L175 HydrophobicContact CE1-CD2 4.14Å; F78-L175 HydrophobicContact CG-CD1 4.41Å; F78-L175 HydrophobicContact CZ-CD2 4.12Å; F78-F179 HydrophobicContact CE2-CD2 4.1Å; F78-F179 AromaticContact CZ-CD2 3.94Å; F78-F179 HydrophobicContact CZ-CD2 3.94Å; F78-F179 HydrophobicContact CZ-CE2 4.14Å; F78-A182 HydrophobicContact CD2-CB 3.98Å; F78-A182 HydrophobicContact CE2-CB 3.87Å; F78-K183 PolarHBondContact N-O 3.32Å; F78-F184 HydrophobicContact CB-CD1 3.55Å; F78-F184 HydrophobicContact CB-CE1 3.79Å; F78-F184 HydrophobicContact CD2-CD1 4.27Å; F78-F184 AromaticContact CD2-CE1 3.72Å; F78-F184 HydrophobicContact CD2-CE1 3.72Å; F78-F184 HydrophobicContact CD2-CZ 4.24Å; F78-F184 HydrophobicContact CG-CD1 4.21Å; F78-F184 AromaticContact CG-CE1 3.92Å; F78-F184 HydrophobicContact CG-CE1 3.92Å; F78-F184 CarbonylContact O-C 3.6Å; F78-F184 VanDerWaalsContact O-CA 3.32Å; F78-F184 WeakPolarHBondContact O-CA 3.18Å; F78-V185 PolarHBondContact O-N 2.79Å
79I98.9Very high96.9Very high0 Ų018 Ų180%010%0.1CC..EExtended strand (participates in β ladder)trans-103.5131176.9-54.5166.7000108.4I77 M90 R91 L94 C162 N163 K164 V185 M187I77-I79 HydrophobicContact CG2-CG1 4.22Å; I79-M90 HydrophobicContact CD1-CG 4.2Å; I79-M90 HydrophobicContact CG2-CB 4.16Å; I79-M90 HydrophobicContact CG2-CG 3.93Å; I79-R91 HydrophobicContact CD1-CB 3.58Å; I79-L94 HydrophobicContact CD1-CD1 3.61Å; I79-L94 HydrophobicContact CG1-CD1 4.42Å; I79-C162 WeakPolarHBondContact CD1-SG 3.29Å; I79-N163 PolarHBondContact N-O 2.96Å; I79-K164 HydrophobicContact CB-CB 4.11Å; I79-K164 HydrophobicContact CB-CG 4Å; I79-K164 HydrophobicContact CG2-CG 4.03Å; I79-K164 WeakPolarHBondContact O-CA 3.47Å; I79-V185 WeakPolarHBondContact CA-O 3.19Å; I79-V185 HydrophobicContact CG1-CB 4.15Å; I79-V185 HydrophobicContact CG1-CG2 4.42Å; I79-M187 HydrophobicContact CG2-CG 4.15Å
80G98.8Very high97.6Very high0 Ų014.7 Ų14.70%08%0.08CC..EExtended strand (participates in β ladder)trans-160.2-155.4173.100000113.5T87 P166 V185 M187G80-T87 WeakPolarHBondContact O-CG2 3.48Å; G80-P166 WeakPolarHBondContact CA-O 3.38Å; G80-V185 PolarHBondContact N-O 3.42Å; G80-M187 VanDerWaalsContact O-CB 3.32Å; G80-M187 WeakPolarHBondContact O-CB 3.27Å; G80-M187 PolarHBondContact O-N 3.42Å
81G98.8Very high97.9Very high0 Ų014.5 Ų14.50%08%0.079CC..EExtended strand (participates in β ladder)trans127.6-178.8-168.200000110.5P166 M227G81-P166 PolarHBondContact N-O 3.29Å; G81-P166 CarbonylContact O-C 3.58Å; G81-P166 VanDerWaalsContact O-C 3.25Å; G81-P166 WeakPolarHBondContact O-CA 3.34Å; G81-P166 WeakPolarHBondContact O-CB 3.49Å; G81-M227 VanDerWaalsContact C-CE 3.49Å
82V98.7Very high98.1Very high0 Ų012.9 Ų12.90%07%0.07CC..SBendtrans-66.5137.2176.3-173.10000108.5S85 F167 M198 A223 I224 M227V82-S85 WeakPolarHBondContact O-CB 3.39Å; V82-S85 PolarHBondContact O-N 3.11Å; V82-S85 PolarHBondContact O-OG 3.39Å; V82-F167 HydrophobicContact CG1-CE1 4.47Å; V82-M198 HydrophobicContact CG1-CE 4.47Å; V82-A223 HydrophobicContact CG2-CB 3.99Å; V82-I224 HydrophobicContact CG2-CB 3.97Å; V82-I224 HydrophobicContact CG2-CD1 4.4Å; V82-M227 HydrophobicContact CB-CE 4.41Å; V82-M227 HydrophobicContact CG2-CE 3.53Å
83P98.5Very high98.4Very high19 Ų199.7 Ų9.712%0.1236%0.056CC..THydrogen-bonded Turntrans-50.2147.9172.5-27.233.1000111.4S85 P166 F167 I205P83-S85 VanDerWaalsContact C-N 3.31Å; P83-P166 HydrophobicContact CG-CB 3.81Å; P83-P166 HydrophobicContact CG-CG 4.21Å; P83-F167 VanDerWaalsContact CD-CE1 3.43Å; P83-F167 HydrophobicContact CG-CE1 4.37Å; P83-F167 HydrophobicContact CG-CE2 4.08Å; P83-F167 HydrophobicContact CG-CZ 3.95Å; P83-I205 HydrophobicContact CB-CD1 3.77Å; P83-I205 HydrophobicContact CB-CG1 4.43Å; P83-I205 HydrophobicContact CG-CD1 3.86Å; P83-I205 HydrophobicContact CG-CG1 4.34Å
84R98.4Very high98.5Very high22 Ų227.3 Ų7.38%0.0834%0.044CC..THydrogen-bonded Turntrans74.99.7-174.8-40.4-49.7-56.9157.33.6115.7R189 S194 S197 M198 S290R84-R189 WeakPolarHBondContact O-CD 3.41Å; R84-R189 PolarHBondContact O-NH1 2.98Å; R84-S194 PolarHBondContact O-OG 3.23Å; R84-S197 PolarHBondContact NE-OG 3.02Å; R84-S197 PolarHBondContact NH2-OG 2.93Å; R84-M198 HydrophobicContact CG-CB 3.96Å; R84-S290 PolarHBondContact NH1-OG 3.08Å
85S98.8Very high98.7Very high0 Ų06.4 Ų6.40%04%0.039CC..SBendtrans-93.221.4173.7-56.90000114.8V82 P83 S194V82-S85 WeakPolarHBondContact O-CB 3.39Å; V82-S85 PolarHBondContact O-N 3.11Å; V82-S85 PolarHBondContact O-OG 3.39Å; P83-S85 VanDerWaalsContact C-N 3.31Å; S85-S194 PolarHBondContact OG-OG 2.83Å
86G98.5Very high98.7Very high15 Ų154.5 Ų4.516%0.1553%0.027CC..SBendtrans84.112.7178.200000115.9T88 L89 M90G86-T88 PolarHBondContact O-N 2.96Å; G86-L89 WeakPolarHBondContact O-CB 3.34Å; G86-L89 PolarHBondContact O-N 3.16Å; G86-L89 VanDerWaalsContact O-N 3.11Å; G86-M90 PolarHBondContact O-N 3.22Å
87T98.8Very high98.8Very high6 Ų64.5 Ų4.54%0.0373%0.027CC..Hα-helixtrans-59.5-37.9-179.655.60000114.1G80 M90 R91 M187G80-T87 WeakPolarHBondContact O-CG2 3.48Å; T87-M90 PolarHBondContact O-N 2.88Å; T87-R91 PolarHBondContact O-N 3.14Å; T87-M187 HydrophobicContact CG2-CB 3.76Å; T87-M187 HydrophobicContact CG2-CG 3.81Å
88T98.7Very high98.7Very high2 Ų28.3 Ų8.31%0.0125%0.052CC..Hα-helixtrans-70.5-33.8175.4-46.10000112.2G86 R91 A92 K164 S290 V294G86-T88 PolarHBondContact O-N 2.96Å; T88-R91 WeakPolarHBondContact O-CG 3.17Å; T88-A92 VanDerWaalsContact O-CB 3.23Å; T88-A92 WeakPolarHBondContact O-CB 3.28Å; T88-A92 PolarHBondContact O-N 3.33Å; T88-K164 PolarHBondContact OG1-NZ 2.71Å; T88-S290 WeakPolarHBondContact OG1-CB 3.42Å; T88-S290 PolarHBondContact OG1-OG 3.01Å; T88-V294 HydrophobicContact CG2-CG2 3.87Å
89L98.9Very high98.7Very high21 Ų2111.3 Ų11.311%0.117%0.066CC..Hα-helixtrans-65-47.4173.6176.263.1000109.9G86 R91 A92 M93 Y243 V247 H272 V294 V298G86-L89 WeakPolarHBondContact O-CB 3.34Å; G86-L89 PolarHBondContact O-N 3.16Å; G86-L89 VanDerWaalsContact O-N 3.11Å; L89-R91 PolarHBondContact O-N 3.29Å; L89-A92 PolarHBondContact O-N 3.07Å; L89-A92 VanDerWaalsContact O-N 3.12Å; L89-M93 HydrophobicContact CD1-CG 4.19Å; L89-M93 HydrophobicContact CD1-SD 4.17Å; L89-M93 HydrophobicContact CG-CG 4.48Å; L89-M93 HydrophobicContact CG-SD 4.02Å; L89-M93 WeakPolarHBondContact O-CG 3.31Å; L89-M93 PolarHBondContact O-N 3.35Å; L89-Y243 HydrophobicContact CD2-CE2 4.22Å; L89-V247 HydrophobicContact CD2-CG1 3.78Å; L89-H272 WeakPolarHBondContact CD1-NE2 3.26Å; L89-V294 HydrophobicContact CB-CG2 4.44Å; L89-V298 HydrophobicContact CD1-CG2 4.26Å
90M98.9Very high98.6Very high0 Ų011.6 Ų11.60%07%0.068CC..Hα-helixtrans-55.4-51.8178.9-175.464-98.300112.4I79 G86 T87 A92 M93 L94 V185 M187 M241 L246 M254 L257I79-M90 HydrophobicContact CD1-CG 4.2Å; I79-M90 HydrophobicContact CG2-CB 4.16Å; I79-M90 HydrophobicContact CG2-CG 3.93Å; G86-M90 PolarHBondContact O-N 3.22Å; T87-M90 PolarHBondContact O-N 2.88Å; M90-A92 VanDerWaalsContact C-N 3.28Å; M90-A92 PolarHBondContact O-N 3.48Å; M90-M93 HydrophobicContact CE-CB 4.29Å; M90-M93 PolarHBondContact O-N 3.24Å; M90-L94 HydrophobicContact CE-CD1 4.09Å; M90-L94 HydrophobicContact CE-CG 3.91Å; M90-L94 PolarHBondContact O-N 3.43Å; M90-L94 VanDerWaalsContact O-N 3.13Å; M90-V185 HydrophobicContact CG-CG1 4.19Å; M90-V185 HydrophobicContact SD-CG1 4.42Å; M90-M187 HydrophobicContact CB-CE 4.21Å; M90-M187 HydrophobicContact CB-CG 4.15Å; M90-M187 HydrophobicContact CB-SD 3.71Å; M90-M187 HydrophobicContact CG-CG 4.35Å; M90-M187 HydrophobicContact CG-SD 3.6Å; M90-M187 HydrophobicContact SD-SD 3.94Å; M90-M241 HydrophobicContact CE-CE 4.2Å; M90-M241 HydrophobicContact CG-CE 4.29Å; M90-M241 HydrophobicContact SD-CE 3.02Å; M90-M241 WeakPolarHBondContact SD-CE 3.39Å; M90-L246 HydrophobicContact SD-CD2 3.97Å; M90-M254 HydrophobicContact CE-CE 3.93Å; M90-M254 HydrophobicContact CE-SD 3.52Å; M90-M254 VanDerWaalsContact CE-SD 3.52Å; M90-L257 HydrophobicContact CE-CD2 3.16Å; M90-L257 HydrophobicContact SD-CD2 3.82Å
91R98.8Very high98.6Very high0 Ų012.5 Ų12.50%07%0.071CC..Hα-helixtrans-66.4-31.7179.776.983175.2174.5-9.2112.3I79 T87 T88 L89 L94 D95 C102 G103 K164 S283 L284I79-R91 HydrophobicContact CD1-CB 3.58Å; T87-R91 PolarHBondContact O-N 3.14Å; T88-R91 WeakPolarHBondContact O-CG 3.17Å; L89-R91 PolarHBondContact O-N 3.29Å; R91-L94 PolarHBondContact O-N 3.09Å; R91-D95 VanDerWaalsContact CD-OD2 3.25Å; R91-D95 WeakPolarHBondContact CD-OD2 3.49Å; R91-D95 IonicContact CZ-OD2 3.29Å; R91-D95 IonicContact NE-OD2 3.98Å; R91-D95 IonicContact NH1-OD2 2.71Å; R91-D95 PolarHBondContact NH1-OD2 2.89Å; R91-D95 WeakPolarHBondContact O-CB 3.31Å; R91-D95 PolarHBondContact O-N 3.39Å; R91-C102 HydrophobicContact CB-CB 3.84Å; R91-G103 VanDerWaalsContact CD-O 3.31Å; R91-G103 WeakPolarHBondContact CD-O 3.1Å; R91-G103 PolarHBondContact NE-O 2.94Å; R91-G103 PolarHBondContact NH1-O 3.45Å; R91-K164 HydrophobicContact CB-CB 3.79Å; R91-K164 HydrophobicContact CB-CG 3.99Å; R91-K164 HydrophobicContact CG-CB 3.92Å; R91-K164 HydrophobicContact CG-CD 4.46Å; R91-K164 HydrophobicContact CG-CG 3.94Å; R91-S283 VanDerWaalsContact CZ-O 3.28Å; R91-S283 PolarHBondContact NH1-O 3.3Å; R91-S283 PolarHBondContact NH2-O 3.14Å; R91-L284 VanDerWaalsContact NH2-CD2 3.28Å
92A98.8Very high98.6Very high0 Ų012.5 Ų12.50%07%0.071CC..Hα-helixtrans-70.3-39178.600000111.7T88 L89 M90 L94 D95 A96 V282 V294T88-A92 VanDerWaalsContact O-CB 3.23Å; T88-A92 WeakPolarHBondContact O-CB 3.28Å; T88-A92 PolarHBondContact O-N 3.33Å; L89-A92 PolarHBondContact O-N 3.07Å; L89-A92 VanDerWaalsContact O-N 3.12Å; M90-A92 VanDerWaalsContact C-N 3.28Å; M90-A92 PolarHBondContact O-N 3.48Å; A92-L94 VanDerWaalsContact C-N 3.27Å; A92-L94 PolarHBondContact O-N 3.04Å; A92-D95 PolarHBondContact O-N 2.79Å; A92-A96 PolarHBondContact O-N 2.93Å; A92-A96 VanDerWaalsContact O-N 3.09Å; A92-V282 HydrophobicContact CB-CG1 3.79Å; A92-V282 WeakPolarHBondContact O-CG2 3.36Å; A92-V294 HydrophobicContact CB-CG1 3.53Å
93M98.9Very high98.6Very high0 Ų012.7 Ų12.70%07%0.073CC..Hα-helixtrans-63.2-34.1171.9-66.5175.378.100111.7L89 M90 L246 P250 M254 V269 L270 V298L89-M93 HydrophobicContact CD1-CG 4.19Å; L89-M93 HydrophobicContact CD1-SD 4.17Å; L89-M93 HydrophobicContact CG-CG 4.48Å; L89-M93 HydrophobicContact CG-SD 4.02Å; L89-M93 WeakPolarHBondContact O-CG 3.31Å; L89-M93 PolarHBondContact O-N 3.35Å; M90-M93 HydrophobicContact CE-CB 4.29Å; M90-M93 PolarHBondContact O-N 3.24Å; M93-L246 HydrophobicContact CE-CD1 4.16Å; M93-L246 HydrophobicContact SD-CD1 4.11Å; M93-L246 HydrophobicContact SD-CD2 4.25Å; M93-L246 HydrophobicContact SD-CG 4.36Å; M93-P250 HydrophobicContact CE-CB 4.07Å; M93-M254 HydrophobicContact CB-CE 4.31Å; M93-M254 HydrophobicContact CB-SD 4.04Å; M93-M254 HydrophobicContact CE-CG 3.43Å; M93-M254 VanDerWaalsContact CE-CG 3.43Å; M93-M254 HydrophobicContact CE-SD 3.63Å; M93-M254 HydrophobicContact SD-SD 4.23Å; M93-V269 WeakPolarHBondContact CE-O 3.43Å; M93-V269 WeakPolarHBondContact O-CA 3.31Å; M93-V269 VanDerWaalsContact O-CB 3.31Å; M93-V269 WeakPolarHBondContact O-CB 3.46Å; M93-V269 VanDerWaalsContact O-CG1 3.31Å; M93-V269 WeakPolarHBondContact O-CG1 3.24Å; M93-L270 HydrophobicContact CE-CD2 4.36Å; M93-V298 HydrophobicContact CE-CG2 4.03Å; M93-V298 HydrophobicContact SD-CG2 4.01Å
94L98.8Very high98.6Very high0 Ų013.9 Ų13.90%08%0.077CC..Hα-helixtrans-75.1-42.5172.9-78.1170.6000113.2I79 M90 R91 A92 A96 H97 V100 M254 L257 L258 L261I79-L94 HydrophobicContact CD1-CD1 3.61Å; I79-L94 HydrophobicContact CG1-CD1 4.42Å; M90-L94 HydrophobicContact CE-CD1 4.09Å; M90-L94 HydrophobicContact CE-CG 3.91Å; M90-L94 PolarHBondContact O-N 3.43Å; M90-L94 VanDerWaalsContact O-N 3.13Å; R91-L94 PolarHBondContact O-N 3.09Å; A92-L94 VanDerWaalsContact C-N 3.27Å; A92-L94 PolarHBondContact O-N 3.04Å; L94-A96 PolarHBondContact O-N 2.66Å; L94-A96 VanDerWaalsContact O-N 3.14Å; L94-H97 WeakPolarHBondContact O-CB 3.44Å; L94-H97 PolarHBondContact O-N 2.72Å; L94-V100 HydrophobicContact CB-CG1 4.1Å; L94-V100 WeakPolarHBondContact O-CB 3.4Å; L94-M254 HydrophobicContact CD2-CE 4.18Å; L94-L257 HydrophobicContact CD1-CD2 4.06Å; L94-L257 HydrophobicContact CD2-CD2 4.04Å; L94-L257 HydrophobicContact CG-CD2 4.17Å; L94-L258 HydrophobicContact CD2-CD2 3.88Å; L94-L261 HydrophobicContact CD1-CD1 4.33Å; L94-L261 HydrophobicContact CD2-CD1 4.03Å
95D98.6Very high98.6Very high2 Ų215 Ų151%0.0118%0.084CC..Hα-helixtrans-58.3-23.6174.1-84.2-42.1000112.6R91 A92 H97 C102 G103 G281 V282R91-D95 VanDerWaalsContact CD-OD2 3.25Å; R91-D95 WeakPolarHBondContact CD-OD2 3.49Å; R91-D95 IonicContact CZ-OD2 3.29Å; R91-D95 IonicContact NE-OD2 3.98Å; R91-D95 IonicContact NH1-OD2 2.71Å; R91-D95 PolarHBondContact NH1-OD2 2.89Å; R91-D95 WeakPolarHBondContact O-CB 3.31Å; R91-D95 PolarHBondContact O-N 3.39Å; A92-D95 PolarHBondContact O-N 2.79Å; D95-H97 PolarHBondContact O-N 2.76Å; D95-C102 WeakPolarHBondContact OD1-CA 3.36Å; D95-C102 WeakPolarHBondContact OD1-CB 3.04Å; D95-C102 PolarHBondContact OD1-N 2.98Å; D95-G103 PolarHBondContact OD1-N 3.05Å; D95-G103 PolarHBondContact OD2-N 3.26Å; D95-G281 CarbonylContact O-C 3.58Å; D95-V282 HydrophobicContact CB-CB 4.27Å; D95-V282 HydrophobicContact CB-CG1 4.31Å; D95-V282 HydrophobicContact CB-CG2 3.92Å
96A98.7Very high98.6Very high1 Ų116.1 Ų16.11%0.0089%0.09CC..THydrogen-bonded Turntrans-71.8-17.9174.100000112.9A92 L94 A268 H272 L275 V282A92-A96 PolarHBondContact O-N 2.93Å; A92-A96 VanDerWaalsContact O-N 3.09Å; L94-A96 PolarHBondContact O-N 2.66Å; L94-A96 VanDerWaalsContact O-N 3.14Å; A96-A268 WeakPolarHBondContact CB-O 3.5Å; A96-A268 WeakPolarHBondContact O-CB 3.43Å; A96-H272 HydrophobicContact CB-CB 3.9Å; A96-L275 HydrophobicContact CB-CD1 3.89Å; A96-L275 VanDerWaalsContact O-CD1 3.28Å; A96-L275 WeakPolarHBondContact O-CD1 3.39Å; A96-V282 HydrophobicContact CB-CG2 4.25Å
97H98.8Very high98.6Very high2 Ų222.1 Ų22.11%0.00911%0.108CC..SBendtrans-75.6129174.9-167.2-72.6000110.1L94 D95 E99 V100 P264 N266 V269L94-H97 WeakPolarHBondContact O-CB 3.44Å; L94-H97 PolarHBondContact O-N 2.72Å; D95-H97 PolarHBondContact O-N 2.76Å; H97-E99 PolarHBondContact ND1-N 2.94Å; H97-E99 VanDerWaalsContact ND1-N 3.2Å; H97-E99 PolarHBondContact O-N 3.38Å; H97-V100 HydrophobicContact CB-CB 4.1Å; H97-V100 HydrophobicContact CB-CG2 3.9Å; H97-V100 PolarHBondContact O-N 3.34Å; H97-P264 PolarHBondContact NE2-O 3.35Å; H97-N266 VanDerWaalsContact CD2-CB 3.42Å; H97-N266 WeakPolarHBondContact CD2-CB 3.12Å; H97-N266 WeakPolarHBondContact NE2-CB 3.18Å; H97-V269 HydrophobicContact CB-CG1 3.91Å
98P98.1Very high98.6Very high84 Ų8424.3 Ų24.355%0.54512%0.122SC..THydrogen-bonded Turntrans-65.6-4.8-173.627.4-37.4000115.6N266P98-N266 WeakPolarHBondContact CD-ND2 3.5Å; P98-N266 WeakPolarHBondContact CG-ND2 3.45Å
99E97.9Very high98.6Very high64 Ų6424.2 Ų24.230%0.29912%0.121SC..THydrogen-bonded Turntrans-114.9-5.5-179.4-63.7-164.7-141.100113.2H97 N159 F160H97-E99 PolarHBondContact ND1-N 2.94Å; H97-E99 VanDerWaalsContact ND1-N 3.2Å; H97-E99 PolarHBondContact O-N 3.38Å; E99-N159 HydrophobicContact CB-CB 4.28Å; E99-N159 PolarHBondContact O-N 2.91Å; E99-N159 PolarHBondContact OE2-ND2 2.57Å; E99-F160 HydrophobicContact CB-CD2 4Å; E99-F160 HydrophobicContact CB-CE2 4.36Å; E99-F160 PolarHBondContact O-N 2.82Å
100V98.6Very high98.5Very high5 Ų524.7 Ų24.73%0.0313%0.125CC..EExtended strand (participates in β ladder)trans-118.1133.2-173.8-174.90000109.4I77 L94 H97 F160 C162 V263I77-V100 HydrophobicContact CD1-CG1 4.09Å; L94-V100 HydrophobicContact CB-CG1 4.1Å; L94-V100 WeakPolarHBondContact O-CB 3.4Å; H97-V100 HydrophobicContact CB-CB 4.1Å; H97-V100 HydrophobicContact CB-CG2 3.9Å; H97-V100 PolarHBondContact O-N 3.34Å; V100-F160 WeakPolarHBondContact CA-O 3.43Å; V100-F160 HydrophobicContact CB-CB 4.42Å; V100-F160 HydrophobicContact CG1-CB 4.43Å; V100-F160 HydrophobicContact CG2-CB 3.98Å; V100-F160 HydrophobicContact CG2-CD2 4.43Å; V100-C162 HydrophobicContact CG1-CB 4.27Å; V100-V263 HydrophobicContact CG2-CG1 4.08Å
101R98.6Very high98.5Very high19 Ų1931.8 Ų31.87%0.07215%0.152CC..EExtended strand (participates in β ladder)trans-130.6116.1170.4-172.5-81.4-61.6155.9-9.4110.8I151 V152 H154 E156 A158 F160 C162R101-I151 PolarHBondContact NH1-O 2.98Å; R101-I151 PolarHBondContact NH2-O 3.1Å; R101-V152 PolarHBondContact NH2-O 3.11Å; R101-V152 VanDerWaalsContact NH2-O 3.15Å; R101-H154 PolarHBondContact NH1-NE2 3.2Å; R101-E156 PolarHBondContact NE-O 2.79Å; R101-E156 PolarHBondContact NH2-O 2.85Å; R101-A158 HydrophobicContact CB-CB 3.56Å; R101-F160 PolarHBondContact N-O 3.15Å; R101-C162 WeakPolarHBondContact O-CB 3.22Å; R101-C162 PolarHBondContact O-N 2.75Å
102C98.7Very high98.5Very high0 Ų033.4 Ų33.40%016%0.16CC..  trans-92-61.3167.9-620000111.6R91 D95 H154 C162R91-C102 HydrophobicContact CB-CB 3.84Å; D95-C102 WeakPolarHBondContact OD1-CA 3.36Å; D95-C102 WeakPolarHBondContact OD1-CB 3.04Å; D95-C102 PolarHBondContact OD1-N 2.98Å; C102-H154 PolarHBondContact O-CE1 2.95Å; C102-H154 VanDerWaalsContact O-CE1 3.26Å; C102-C162 WeakPolarHBondContact CA-O 3.09Å; C102-C162 HydrophobicContact CB-CB 3.67Å; C102-C162 WeakPolarHBondContact CB-SG 3.34Å; C102-C162 WeakPolarHBondContact SG-CB 3.32Å; C102-C162 CovalentContact SG-SG 2.03Å; C102-C162 PolarHBondContact SG-SG 3.29Å
103G98.1Very high98.5Very high4 Ų433.5 Ų33.54%0.04116%0.16CC..  trans76.5-160.9-171.700000114.7R91 D95R91-G103 VanDerWaalsContact CD-O 3.31Å; R91-G103 WeakPolarHBondContact CD-O 3.1Å; R91-G103 PolarHBondContact NE-O 2.94Å; R91-G103 PolarHBondContact NH1-O 3.45Å; D95-G103 PolarHBondContact OD1-N 3.05Å; D95-G103 PolarHBondContact OD2-N 3.26Å
104E98.6Very high98.5Very high44 Ų4435.5 Ų35.521%0.20618%0.177CC..SBendtrans-76.7169.2-175.5-6185.3172.300114.1T106 S283 E288E104-T106 PolarHBondContact O-N 3.28Å; E104-S283 VanDerWaalsContact OE1-CB 3.3Å; E104-S283 WeakPolarHBondContact OE1-CB 3.24Å; E104-S283 PolarHBondContact OE1-OG 2.93Å; E104-E288 WeakPolarHBondContact CB-OE1 3.45Å
105E98.6Very high98.4Very high47 Ų4739.8 Ų39.822%0.2220%0.199CC..  trans-65122.5169.1-64.6-173.3173.800110.5R107 K164 E288E105-R107 VanDerWaalsContact C-N 3.31Å; E105-R107 HydrophobicContact CB-CG 4.35Å; E105-R107 PolarHBondContact O-N 3.36Å; E105-R107 IonicContact OE2-NH1 3.26Å; E105-K164 VanDerWaalsContact CD-NZ 3.3Å; E105-K164 HydrophobicContact CG-CD 4.23Å; E105-K164 VanDerWaalsContact CG-CE 3.46Å; E105-K164 IonicContact OE1-NZ 3.71Å; E105-K164 PolarHBondContact OE1-NZ 3Å; E105-E288 PolarHBondContact N-OE1 3.26Å
106T98.6Very high98.4Very high22 Ų2240.1 Ų40.114%0.13520%0.2CC..  trans-74.5-26.7-179.371.50000111.8E104 V108 I109 I150 N163 D165E104-T106 PolarHBondContact O-N 3.28Å; T106-V108 PolarHBondContact O-N 2.72Å; T106-I109 HydrophobicContact CG2-CD1 3.94Å; T106-I109 WeakPolarHBondContact OG1-CB 3.19Å; T106-I109 WeakPolarHBondContact OG1-CD1 3.43Å; T106-I109 VanDerWaalsContact OG1-CG1 3.25Å; T106-I109 WeakPolarHBondContact OG1-CG1 3.38Å; T106-I109 PolarHBondContact OG1-N 2.89Å; T106-I150 HydrophobicContact CG2-CG2 3.74Å; T106-N163 WeakPolarHBondContact CG2-ND2 3.46Å; T106-D165 WeakPolarHBondContact CB-OD2 3.06Å; T106-D165 PolarHBondContact N-OD1 2.78Å; T106-D165 PolarHBondContact N-OD2 2.83Å; T106-D165 VanDerWaalsContact N-OD2 3.1Å; T106-D165 PolarHBondContact OG1-OD2 3.16Å
107R98Very high98.3Very high141 Ų14142.4 Ų42.453%0.53221%0.21SC..SBendtrans64.8-33.1-178.2-44.418063.871.1-2.6114.7E105 P110 R111 D165E105-R107 VanDerWaalsContact C-N 3.31Å; E105-R107 HydrophobicContact CB-CG 4.35Å; E105-R107 PolarHBondContact O-N 3.36Å; E105-R107 IonicContact OE2-NH1 3.26Å; R107-P110 WeakPolarHBondContact O-CG 3.3Å; R107-R111 WeakPolarHBondContact O-CD 3.44Å; R107-R111 WeakPolarHBondContact O-CG 3.47Å; R107-D165 WeakPolarHBondContact CA-OD1 3.3Å; R107-D165 PolarHBondContact N-OD1 3.32Å
108V98.5Very high98.2Very high53 Ų5348.7 Ų48.732%0.32124%0.241SC..Hα-helixtrans-76.4-35-178.4-63.30000112.2T106 R111 I112 I150T106-V108 PolarHBondContact O-N 2.72Å; V108-R111 WeakPolarHBondContact O-CB 3.46Å; V108-R111 PolarHBondContact O-N 2.86Å; V108-R111 VanDerWaalsContact O-N 3.16Å; V108-I112 PolarHBondContact O-N 3.41Å; V108-I150 HydrophobicContact CG2-CD1 4.18Å; V108-I150 HydrophobicContact CG2-CG1 4.1Å; V108-I150 HydrophobicContact CG2-CG2 4.05Å
109I98.8Very high98.2Very high0 Ų048.6 Ų48.60%023%0.23CC..Hα-helixtrans-56.6-55.4178.5-70.1178.4000112.3T106 R111 I112 L113 L147 I150 I151 A168T106-I109 HydrophobicContact CG2-CD1 3.94Å; T106-I109 WeakPolarHBondContact OG1-CB 3.19Å; T106-I109 WeakPolarHBondContact OG1-CD1 3.43Å; T106-I109 VanDerWaalsContact OG1-CG1 3.25Å; T106-I109 WeakPolarHBondContact OG1-CG1 3.38Å; T106-I109 PolarHBondContact OG1-N 2.89Å; I109-R111 PolarHBondContact O-N 3.34Å; I109-I112 VanDerWaalsContact O-CG2 3.27Å; I109-I112 WeakPolarHBondContact O-CG2 3.35Å; I109-I112 PolarHBondContact O-N 2.88Å; I109-L113 HydrophobicContact CG2-CD1 3.67Å; I109-L113 HydrophobicContact CG2-CG 4.41Å; I109-L113 WeakPolarHBondContact O-CB 3.34Å; I109-L113 VanDerWaalsContact O-CG 3.25Å; I109-L113 WeakPolarHBondContact O-CG 3.48Å; I109-L113 PolarHBondContact O-N 3.39Å; I109-L147 HydrophobicContact CB-CD2 4.09Å; I109-L147 HydrophobicContact CD1-CD2 4.37Å; I109-L147 HydrophobicContact CG1-CD2 3.72Å; I109-L147 HydrophobicContact CG2-CD2 3.79Å; I109-I150 HydrophobicContact CD1-CG2 4.07Å; I109-I150 HydrophobicContact CG1-CG2 4.19Å; I109-I151 HydrophobicContact CD1-CD1 4.21Å; I109-I151 HydrophobicContact CD1-CG1 3.7Å; I109-A168 HydrophobicContact CG2-CB 4.27Å
110P98.3Very high98Very high30 Ų3047.8 Ų47.820%0.19523%0.231CC..Hα-helixtrans-64.4-25.8179.124-34.4000113R107 A114 D165R107-P110 WeakPolarHBondContact O-CG 3.3Å; P110-A114 WeakPolarHBondContact O-CB 3.35Å; P110-A114 PolarHBondContact O-N 3.47Å; P110-D165 HydrophobicContact CG-CB 4.01Å
111R98.4Very high97.9Very high150 Ų15056.1 Ų56.157%0.56626%0.263SS*.Hα-helixtrans-71.6-49.2177.3-68.4171.6-179.2179.2-3.1111.7R107 V108 I109 L113 A114 M115R107-R111 WeakPolarHBondContact O-CD 3.44Å; R107-R111 WeakPolarHBondContact O-CG 3.47Å; V108-R111 WeakPolarHBondContact O-CB 3.46Å; V108-R111 PolarHBondContact O-N 2.86Å; V108-R111 VanDerWaalsContact O-N 3.16Å; I109-R111 PolarHBondContact O-N 3.34Å; R111-L113 VanDerWaalsContact C-N 3.32Å; R111-L113 PolarHBondContact O-N 3.14Å; R111-A114 WeakPolarHBondContact O-CB 3.47Å; R111-A114 PolarHBondContact O-N 3.33Å; R111-M115 WeakPolarHBondContact O-CG 3.48Å; R111-M115 PolarHBondContact O-N 3.03Å
112I98.6Very high97.8Very high33 Ų3357.7 Ų57.717%0.16928%0.276CS..Hα-helixtrans-67.2-36.2178.6-16865.3000111.2V108 I109 A114 M115 K116 M143 F146 L147V108-I112 PolarHBondContact O-N 3.41Å; I109-I112 VanDerWaalsContact O-CG2 3.27Å; I109-I112 WeakPolarHBondContact O-CG2 3.35Å; I109-I112 PolarHBondContact O-N 2.88Å; I112-A114 VanDerWaalsContact C-N 3.33Å; I112-A114 PolarHBondContact O-N 2.95Å; I112-M115 HydrophobicContact CD1-SD 4.28Å; I112-M115 PolarHBondContact O-N 3.24Å; I112-K116 PolarHBondContact O-N 3.38Å; I112-M143 HydrophobicContact CB-CE 4.5Å; I112-M143 HydrophobicContact CG1-CE 3.97Å; I112-M143 HydrophobicContact CG1-SD 3.69Å; I112-M143 HydrophobicContact CG2-CE 4.05Å; I112-F146 HydrophobicContact CB-CE1 4.18Å; I112-F146 HydrophobicContact CG1-CD1 4.4Å; I112-F146 HydrophobicContact CG1-CE1 4.42Å; I112-F146 HydrophobicContact CG2-CD1 3.89Å; I112-F146 HydrophobicContact CG2-CE1 3.69Å; I112-L147 HydrophobicContact CG2-CD2 3.97Å
113L98.6Very high97.7Very high2 Ų260.5 Ų60.51%0.0131%0.305CS..Hα-helixtrans-61.1-41.2172.5-73.4170.1000111.9I109 R111 Q117 M143 L147 A168 Y174 L175I109-L113 HydrophobicContact CG2-CD1 3.67Å; I109-L113 HydrophobicContact CG2-CG 4.41Å; I109-L113 WeakPolarHBondContact O-CB 3.34Å; I109-L113 VanDerWaalsContact O-CG 3.25Å; I109-L113 WeakPolarHBondContact O-CG 3.48Å; I109-L113 PolarHBondContact O-N 3.39Å; R111-L113 VanDerWaalsContact C-N 3.32Å; R111-L113 PolarHBondContact O-N 3.14Å; L113-Q117 WeakPolarHBondContact O-CB 3.04Å; L113-Q117 PolarHBondContact O-N 2.85Å; L113-M143 HydrophobicContact CD2-CE 3.9Å; L113-M143 HydrophobicContact CG-CE 4.42Å; L113-L147 HydrophobicContact CD2-CD1 4.26Å; L113-A168 HydrophobicContact CD1-CB 4.06Å; L113-Y174 HydrophobicContact CD2-CD1 3.88Å; L113-Y174 HydrophobicContact CD2-CE1 4.13Å; L113-L175 HydrophobicContact CD1-CD1 4.18Å; L113-L175 HydrophobicContact CD1-CD2 4.27Å; L113-L175 HydrophobicContact CD1-CG 4.43Å; L113-L175 HydrophobicContact CD2-CD2 4.03Å; L113-L175 HydrophobicContact CD2-CG 4.37Å
114A97.8Very high97.7Very high43 Ų4370.1 Ų70.136%0.35534%0.34SS..Hα-helixtrans-65.3-41.6175.400000112P110 R111 I112 Q117 M118P110-A114 WeakPolarHBondContact O-CB 3.35Å; P110-A114 PolarHBondContact O-N 3.47Å; R111-A114 WeakPolarHBondContact O-CB 3.47Å; R111-A114 PolarHBondContact O-N 3.33Å; I112-A114 VanDerWaalsContact C-N 3.33Å; I112-A114 PolarHBondContact O-N 2.95Å; A114-Q117 PolarHBondContact O-N 2.98Å; A114-M118 WeakPolarHBondContact O-CG 3.4Å; A114-M118 PolarHBondContact O-N 3.12Å
115M98.2Very high97.6Very high90 Ų9070.8 Ų70.844%0.44334%0.343SS..Hα-helixtrans-60.6-49.5175.4-70.4173.862.900111.7R111 I112 Q117 M118 W119R111-M115 WeakPolarHBondContact O-CG 3.48Å; R111-M115 PolarHBondContact O-N 3.03Å; I112-M115 HydrophobicContact CD1-SD 4.28Å; I112-M115 PolarHBondContact O-N 3.24Å; M115-Q117 VanDerWaalsContact C-N 3.28Å; M115-Q117 PolarHBondContact O-N 3.45Å; M115-M118 WeakPolarHBondContact O-CB 3.23Å; M115-M118 PolarHBondContact O-N 3.42Å; M115-M118 VanDerWaalsContact O-N 3.09Å; M115-W119 HydrophobicContact CB-CZ2 4.31Å; M115-W119 HydrophobicContact CE-CH2 4.33Å; M115-W119 HydrophobicContact CE-CZ2 3.87Å; M115-W119 PolarHBondContact O-N 3.17Å; M115-W119 VanDerWaalsContact O-N 3.1Å
116K98.1Very high97.5Very high8 Ų871.7 Ų71.74%0.03535%0.346CS..Hα-helixtrans-57.6-42.7175.4176.355.517170.70111.7I112 M118 W119 S120 D136 L139 M143 Y174I112-K116 PolarHBondContact O-N 3.38Å; K116-M118 VanDerWaalsContact C-N 3.32Å; K116-M118 PolarHBondContact O-N 2.94Å; K116-W119 HydrophobicContact CB-CE3 4.48Å; K116-W119 HydrophobicContact CD-CE3 4.1Å; K116-W119 PolarHBondContact O-N 3.41Å; K116-S120 PolarHBondContact NZ-OG 2.8Å; K116-S120 PolarHBondContact O-N 3.2Å; K116-S120 VanDerWaalsContact O-N 3.08Å; K116-S120 PolarHBondContact O-OG 2.8Å; K116-D136 IonicContact NZ-OD1 3.51Å; K116-L139 HydrophobicContact CD-CB 4.28Å; K116-L139 HydrophobicContact CD-CD1 4.19Å; K116-L139 VanDerWaalsContact CE-CB 3.48Å; K116-M143 HydrophobicContact CB-CE 4.11Å; K116-M143 HydrophobicContact CB-SD 4.14Å; K116-M143 HydrophobicContact CG-CG 4.36Å; K116-Y174 HydrophobicContact CG-CE1 4.14Å
117Q96.9Very high97.5Very high50 Ų5076.8 Ų76.823%0.23437%0.37CS..Hα-helixtrans-63.6-36.8177.4-175.8172.764.200112.3L113 A114 M115 S120 R121L113-Q117 WeakPolarHBondContact O-CB 3.04Å; L113-Q117 PolarHBondContact O-N 2.85Å; A114-Q117 PolarHBondContact O-N 2.98Å; M115-Q117 VanDerWaalsContact C-N 3.28Å; M115-Q117 PolarHBondContact O-N 3.45Å; Q117-S120 PolarHBondContact O-N 3.44Å; Q117-R121 HydrophobicContact CG-CG 4.39Å; Q117-R121 VanDerWaalsContact NE2-NH2 3.15Å; Q117-R121 WeakPolarHBondContact O-CB 3.25Å; Q117-R121 VanDerWaalsContact O-CG 3.27Å; Q117-R121 WeakPolarHBondContact O-CG 3.41Å; Q117-R121 PolarHBondContact O-N 3.37Å
118M97.1Very high97.5Very high134 Ų13477.8 Ų77.866%0.6637%0.374SS*.Hα-helixtrans-64.3-44.7175.7-73.5174.560.400112A114 M115 K116 S120 R121 S122A114-M118 WeakPolarHBondContact O-CG 3.4Å; A114-M118 PolarHBondContact O-N 3.12Å; M115-M118 WeakPolarHBondContact O-CB 3.23Å; M115-M118 PolarHBondContact O-N 3.42Å; M115-M118 VanDerWaalsContact O-N 3.09Å; K116-M118 VanDerWaalsContact C-N 3.32Å; K116-M118 PolarHBondContact O-N 2.94Å; M118-S120 PolarHBondContact O-N 3.36Å; M118-R121 PolarHBondContact O-N 3.09Å; M118-S122 PolarHBondContact O-N 3.13Å
119W97.3Very high97.5Very high81 Ų8176.7 Ų76.731%0.30737%0.366SS..Hα-helixtrans-59.8-46.2176.2-58-31.6000111.5M115 K116 R121 S122 L129 L139M115-W119 HydrophobicContact CB-CZ2 4.31Å; M115-W119 HydrophobicContact CE-CH2 4.33Å; M115-W119 HydrophobicContact CE-CZ2 3.87Å; M115-W119 PolarHBondContact O-N 3.17Å; M115-W119 VanDerWaalsContact O-N 3.1Å; K116-W119 HydrophobicContact CB-CE3 4.48Å; K116-W119 HydrophobicContact CD-CE3 4.1Å; K116-W119 PolarHBondContact O-N 3.41Å; W119-R121 VanDerWaalsContact C-N 3.34Å; W119-R121 PolarHBondContact O-N 3.06Å; W119-S122 PolarHBondContact O-N 3.31Å; W119-L129 HydrophobicContact CB-CD1 3.94Å; W119-L129 HydrophobicContact CG-CD1 4.39Å; W119-L139 HydrophobicContact CE3-CD2 4.31Å; W119-L139 HydrophobicContact CZ3-CD2 4.2Å
120S94.3Very high97.4Very high47 Ų4779.9 Ų79.933%0.32938%0.383SS..Hα-helixtrans-70.4-25.1-179.1-65.20000114.6K116 Q117 M118K116-S120 PolarHBondContact NZ-OG 2.8Å; K116-S120 PolarHBondContact O-N 3.2Å; K116-S120 VanDerWaalsContact O-N 3.08Å; K116-S120 PolarHBondContact O-OG 2.8Å; Q117-S120 PolarHBondContact O-N 3.44Å; M118-S120 PolarHBondContact O-N 3.36Å
121R95.1Very high97.4Very high181 Ų18186.5 Ų86.568%0.68341%0.411SS*.Hα-helixtrans-81.1-23.4177.4-76.7177176.6-177.2-0.6113.4Q117 M118 W119 G123Q117-R121 HydrophobicContact CG-CG 4.39Å; Q117-R121 VanDerWaalsContact NE2-NH2 3.15Å; Q117-R121 WeakPolarHBondContact O-CB 3.25Å; Q117-R121 VanDerWaalsContact O-CG 3.27Å; Q117-R121 WeakPolarHBondContact O-CG 3.41Å; Q117-R121 PolarHBondContact O-N 3.37Å; M118-R121 PolarHBondContact O-N 3.09Å; W119-R121 VanDerWaalsContact C-N 3.34Å; W119-R121 PolarHBondContact O-N 3.06Å; R121-G123 PolarHBondContact O-N 3.06Å
122S97.1Very high97.4Very high52 Ų5282.8 Ų82.836%0.36441%0.413SS..  trans-88.6105.3178.2174.80000109.8M118 W119 R124 E125 K126M118-S122 PolarHBondContact O-N 3.13Å; W119-S122 PolarHBondContact O-N 3.31Å; S122-R124 VanDerWaalsContact C-N 3.26Å; S122-R124 PolarHBondContact O-N 3.01Å; S122-E125 PolarHBondContact O-N 3.27Å; S122-E125 VanDerWaalsContact O-N 3.08Å; S122-E125 WeakPolarHBondContact OG-CB 3.34Å; S122-E125 PolarHBondContact OG-N 3.24Å; S122-K126 PolarHBondContact O-N 3.45Å
123G96.6Very high97.4Very high58 Ų5883.4 Ų83.460%0.59843%0.427SS*.Hα-helixtrans-57.5-38.2179.700000113.3R121 M127R121-G123 PolarHBondContact O-N 3.06Å; G123-M127 PolarHBondContact O-N 2.86Å
124R97.3Very high97.4Very high207 Ų20785.5 Ų85.578%0.78144%0.44SS*.Hα-helixtrans-66.5-40176-173.3177-176.1174.51.8112.2S122 R128S122-R124 VanDerWaalsContact C-N 3.26Å; S122-R124 PolarHBondContact O-N 3.01Å; R124-R128 WeakPolarHBondContact O-CG 3.33Å; R124-R128 PolarHBondContact O-N 3.18Å
125E97.9Very high97.4Very high57 Ų5785.5 Ų85.527%0.26644%0.436SS..Hα-helixtrans-71.2-42.5178.8-171.862.5-175.300111.1S122 M127 R128 L129S122-E125 PolarHBondContact O-N 3.27Å; S122-E125 VanDerWaalsContact O-N 3.08Å; S122-E125 WeakPolarHBondContact OG-CB 3.34Å; S122-E125 PolarHBondContact OG-N 3.24Å; E125-M127 VanDerWaalsContact C-N 3.32Å; E125-M127 PolarHBondContact O-N 2.73Å; E125-R128 PolarHBondContact O-N 3.07Å; E125-R128 VanDerWaalsContact O-N 3.1Å; E125-R128 IonicContact OE2-NH1 3.57Å; E125-L129 HydrophobicContact CG-CD1 4.19Å; E125-L129 HydrophobicContact CG-CG 4.49Å; E125-L129 WeakPolarHBondContact O-CG 3.43Å; E125-L129 PolarHBondContact O-N 3.22Å
126K96.3Very high97.4Very high66 Ų6683.3 Ų83.329%0.28743%0.426SS..Hα-helixtrans-54.8-48.3174-175.5-179.5176.297.90111.4S122 R128 L129 D130 D136S122-K126 PolarHBondContact O-N 3.45Å; K126-R128 VanDerWaalsContact C-N 3.31Å; K126-R128 PolarHBondContact O-N 2.03Å; K126-L129 PolarHBondContact O-N 3.07Å; K126-L129 VanDerWaalsContact O-N 3.14Å; K126-D130 VanDerWaalsContact O-CG 3.28Å; K126-D130 PolarHBondContact O-N 2.9Å; K126-D136 IonicContact NZ-OD1 4Å; K126-D136 IonicContact NZ-OD2 2.66Å; K126-D136 PolarHBondContact NZ-OD2 3.04Å
127M97.8Very high97.4Very high129 Ų12989.4 Ų89.464%0.63546%0.455SS*.Hα-helixtrans-57.3-42.7176.1-179.6-178.2-79.700112.4G123 E125 L129 D130 E131G123-M127 PolarHBondContact O-N 2.86Å; E125-M127 VanDerWaalsContact C-N 3.32Å; E125-M127 PolarHBondContact O-N 2.73Å; M127-L129 VanDerWaalsContact C-N 3.35Å; M127-L129 PolarHBondContact O-N 3.46Å; M127-D130 PolarHBondContact O-N 3.48Å; M127-E131 VanDerWaalsContact O-CG 3.31Å; M127-E131 WeakPolarHBondContact O-CG 3.45Å; M127-E131 PolarHBondContact O-N 3.35Å
128R98.4Very high97.5Very high162 Ų16290.6 Ų90.661%0.61147%0.465SS*.Hα-helixtrans-65.5-38177.6-68.2174.275.8-169.66.2112.6R124 E125 K126 A132R124-R128 WeakPolarHBondContact O-CG 3.33Å; R124-R128 PolarHBondContact O-N 3.18Å; E125-R128 PolarHBondContact O-N 3.07Å; E125-R128 VanDerWaalsContact O-N 3.1Å; E125-R128 IonicContact OE2-NH1 3.57Å; K126-R128 VanDerWaalsContact C-N 3.31Å; K126-R128 PolarHBondContact O-N 2.03Å; R128-A132 WeakPolarHBondContact O-CB 3.19Å; R128-A132 PolarHBondContact O-N 2.67Å; R128-A132 VanDerWaalsContact O-N 3.15Å
129L98.3Very high97.5Very high30 Ų3085.1 Ų85.116%0.15744%0.438CS..Hα-helixtrans-67.1-44.2177-69.3169.6000110.8W119 E125 K126 M127 A132 G133 V134 L139W119-L129 HydrophobicContact CB-CD1 3.94Å; W119-L129 HydrophobicContact CG-CD1 4.39Å; E125-L129 HydrophobicContact CG-CD1 4.19Å; E125-L129 HydrophobicContact CG-CG 4.49Å; E125-L129 WeakPolarHBondContact O-CG 3.43Å; E125-L129 PolarHBondContact O-N 3.22Å; K126-L129 PolarHBondContact O-N 3.07Å; K126-L129 VanDerWaalsContact O-N 3.14Å; M127-L129 VanDerWaalsContact C-N 3.35Å; M127-L129 PolarHBondContact O-N 3.46Å; L129-A132 CarbonylContact O-C 3.55Å; L129-A132 PolarHBondContact O-N 3.17Å; L129-A132 VanDerWaalsContact O-N 3.12Å; L129-G133 PolarHBondContact O-N 3.26Å; L129-V134 HydrophobicContact CB-CB 4.24Å; L129-V134 HydrophobicContact CD2-CB 4.09Å; L129-V134 HydrophobicContact CD2-CG1 4.07Å; L129-V134 CarbonylContact O-C 3.53Å; L129-V134 WeakPolarHBondContact O-CA 3.15Å; L129-V134 PolarHBondContact O-N 3.2Å; L129-L139 HydrophobicContact CD1-CD1 4.33Å
130D97.8Very high97.6Very high67 Ų6782 Ų8236%0.35843%0.427SS..Hα-helixtrans-61.5-46.7178.1-67.2-24.4000111.2K126 M127 A132 G133K126-D130 VanDerWaalsContact O-CG 3.28Å; K126-D130 PolarHBondContact O-N 2.9Å; M127-D130 PolarHBondContact O-N 3.48Å; D130-A132 PolarHBondContact O-N 2.81Å; D130-G133 PolarHBondContact O-N 2.81Å
131E98.1Very high97.8Very high169 Ų16982.2 Ų82.279%0.7943%0.433SS*.Hα-helixtrans-63.2-25.6175-69.3-65.9142.200113.2M127 G133M127-E131 VanDerWaalsContact O-CG 3.31Å; M127-E131 WeakPolarHBondContact O-CG 3.45Å; M127-E131 PolarHBondContact O-N 3.35Å; E131-G133 VanDerWaalsContact C-N 3.29Å
132A98.4Very high97.9Very high73 Ų7376.4 Ų76.460%0.60342%0.423SS*.THydrogen-bonded Turntrans-85.72.7175.100000113.3R128 L129 D130 V134R128-A132 WeakPolarHBondContact O-CB 3.19Å; R128-A132 PolarHBondContact O-N 2.67Å; R128-A132 VanDerWaalsContact O-N 3.15Å; L129-A132 CarbonylContact O-C 3.55Å; L129-A132 PolarHBondContact O-N 3.17Å; L129-A132 VanDerWaalsContact O-N 3.12Å; D130-A132 PolarHBondContact O-N 2.81Å; A132-V134 HydrophobicContact CB-CG2 4.22Å; A132-V134 PolarHBondContact O-N 3.33Å
133G98.1Very high98Very high45 Ų4574.3 Ų74.346%0.46441%0.408SS..THydrogen-bonded Turntrans73.111.1-175.300000114.2L129 D130 E131 T135L129-G133 PolarHBondContact O-N 3.26Å; D130-G133 PolarHBondContact O-N 2.81Å; E131-G133 VanDerWaalsContact C-N 3.29Å; G133-T135 VanDerWaalsContact C-N 3.28Å; G133-T135 PolarHBondContact O-N 2.86Å
134V98.4Very high98.1Very high47 Ų4773.4 Ų73.429%0.28539%0.388SS..  trans-9264.2177.1-170.70000108.8L129 A132 L139L129-V134 HydrophobicContact CB-CB 4.24Å; L129-V134 HydrophobicContact CD2-CB 4.09Å; L129-V134 HydrophobicContact CD2-CG1 4.07Å; L129-V134 CarbonylContact O-C 3.53Å; L129-V134 WeakPolarHBondContact O-CA 3.15Å; L129-V134 PolarHBondContact O-N 3.2Å; A132-V134 HydrophobicContact CB-CG2 4.22Å; A132-V134 PolarHBondContact O-N 3.33Å; V134-L139 HydrophobicContact CG1-CD1 4.36Å; V134-L139 HydrophobicContact CG1-CD2 3.65Å; V134-L139 HydrophobicContact CG1-CG 3.82Å
135T98.1Very high98.1Very high43 Ų4366 Ų6626%0.26437%0.371SS..  trans-70172.2-176.373.40000112.4G133 E137 V138 L139G133-T135 VanDerWaalsContact C-N 3.28Å; G133-T135 PolarHBondContact O-N 2.86Å; T135-E137 VanDerWaalsContact CB-OE2 3.23Å; T135-E137 WeakPolarHBondContact CB-OE2 3.31Å; T135-E137 PolarHBondContact O-N 2.97Å; T135-E137 PolarHBondContact OG1-N 3.24Å; T135-E137 PolarHBondContact OG1-OE2 3.32Å; T135-V138 PolarHBondContact O-N 3.21Å; T135-L139 WeakPolarHBondContact O-CG 3.21Å; T135-L139 PolarHBondContact O-N 3.07Å
136D97.6Very high98.2Very high43 Ų4367.4 Ų67.423%0.2338%0.376CS..Hα-helixtrans-58.3-34.1174-80.3-36.1000112.1K116 K126 D140K116-D136 IonicContact NZ-OD1 3.51Å; K126-D136 IonicContact NZ-OD1 4Å; K126-D136 IonicContact NZ-OD2 2.66Å; K126-D136 PolarHBondContact NZ-OD2 3.04Å; D136-D140 WeakPolarHBondContact O-CB 3.29Å; D136-D140 PolarHBondContact O-N 2.84Å
137E98.1Very high98.3Very high137 Ų13764.3 Ų64.364%0.6436%0.363SS*.Hα-helixtrans-65.2-44.1176.2-62.670.4-15000111.8T135 D140 A141T135-E137 VanDerWaalsContact CB-OE2 3.23Å; T135-E137 WeakPolarHBondContact CB-OE2 3.31Å; T135-E137 PolarHBondContact O-N 2.97Å; T135-E137 PolarHBondContact OG1-N 3.24Å; T135-E137 PolarHBondContact OG1-OE2 3.32Å; E137-D140 PolarHBondContact O-N 3.35Å; E137-A141 WeakPolarHBondContact O-CB 3.27Å; E137-A141 PolarHBondContact O-N 3.38Å
138V98.4Very high98.3Very high75 Ų7558.7 Ų58.746%0.45534%0.335SS..Hα-helixtrans-64.5-46177.5175.30000110.3T135 A141 A142T135-V138 PolarHBondContact O-N 3.21Å; V138-A141 PolarHBondContact O-N 3.29Å; V138-A142 WeakPolarHBondContact O-CB 3.45Å; V138-A142 PolarHBondContact O-N 3.13Å
139L98.4Very high98.3Very high19 Ų1954 Ų5410%0.09932%0.32CS..Hα-helixtrans-64.9-42.6178-70.8171.1000111.8K116 W119 L129 V134 T135 A142 M143K116-L139 HydrophobicContact CD-CB 4.28Å; K116-L139 HydrophobicContact CD-CD1 4.19Å; K116-L139 VanDerWaalsContact CE-CB 3.48Å; W119-L139 HydrophobicContact CE3-CD2 4.31Å; W119-L139 HydrophobicContact CZ3-CD2 4.2Å; L129-L139 HydrophobicContact CD1-CD1 4.33Å; V134-L139 HydrophobicContact CG1-CD1 4.36Å; V134-L139 HydrophobicContact CG1-CD2 3.65Å; V134-L139 HydrophobicContact CG1-CG 3.82Å; T135-L139 WeakPolarHBondContact O-CG 3.21Å; T135-L139 PolarHBondContact O-N 3.07Å; L139-A142 PolarHBondContact O-N 2.62Å; L139-M143 WeakPolarHBondContact O-CB 3.45Å; L139-M143 WeakPolarHBondContact O-CG 3.46Å; L139-M143 PolarHBondContact O-N 3.28Å
140D98.5Very high98.3Very high14 Ų1454.9 Ų54.98%0.07532%0.324CS..Hα-helixtrans-65.1-41179.8-73.6-4.2000111D136 E137 M143 Q144 Y174 K177 I178D136-D140 WeakPolarHBondContact O-CB 3.29Å; D136-D140 PolarHBondContact O-N 2.84Å; E137-D140 PolarHBondContact O-N 3.35Å; D140-M143 PolarHBondContact O-N 2.61Å; D140-Q144 WeakPolarHBondContact O-CB 3.32Å; D140-Q144 WeakPolarHBondContact O-CG 3.41Å; D140-Q144 PolarHBondContact O-N 3.47Å; D140-Y174 WeakPolarHBondContact OD1-CE2 3.02Å; D140-Y174 VanDerWaalsContact OD1-CZ 3.27Å; D140-Y174 PolarHBondContact OD1-OH 2.76Å; D140-K177 WeakPolarHBondContact OD2-CE 3.48Å; D140-K177 IonicContact OD2-NZ 3.68Å; D140-K177 PolarHBondContact OD2-NZ 2.9Å; D140-I178 HydrophobicContact CB-CG2 3.95Å
141A98.3Very high98.3Very high53 Ų5351.7 Ų51.744%0.43831%0.308SS..Hα-helixtrans-62.7-43.917400000112.1E137 V138 Q144 A145E137-A141 WeakPolarHBondContact O-CB 3.27Å; E137-A141 PolarHBondContact O-N 3.38Å; V138-A141 PolarHBondContact O-N 3.29Å; A141-Q144 PolarHBondContact O-N 3.02Å; A141-A145 PolarHBondContact O-N 3.48Å
142A98.5Very high98.3Very high58 Ų5843.8 Ų43.848%0.47927%0.271SS..Hα-helixtrans-63.9-41.9176.600000112V138 L139 A145 F146V138-A142 WeakPolarHBondContact O-CB 3.45Å; V138-A142 PolarHBondContact O-N 3.13Å; L139-A142 PolarHBondContact O-N 2.62Å; A142-A145 PolarHBondContact O-N 3.19Å; A142-F146 WeakPolarHBondContact O-CB 3.38Å; A142-F146 PolarHBondContact O-N 3.49Å
143M98.7Very high98.3Very high9 Ų945.3 Ų45.34%0.04426%0.264CS..Hα-helixtrans-65-43.6176.3-71.8-64.2-64.400111.5I112 L113 K116 L139 D140 A145 F146 L147 Y174 I178I112-M143 HydrophobicContact CB-CE 4.5Å; I112-M143 HydrophobicContact CG1-CE 3.97Å; I112-M143 HydrophobicContact CG1-SD 3.69Å; I112-M143 HydrophobicContact CG2-CE 4.05Å; L113-M143 HydrophobicContact CD2-CE 3.9Å; L113-M143 HydrophobicContact CG-CE 4.42Å; K116-M143 HydrophobicContact CB-CE 4.11Å; K116-M143 HydrophobicContact CB-SD 4.14Å; K116-M143 HydrophobicContact CG-CG 4.36Å; L139-M143 WeakPolarHBondContact O-CB 3.45Å; L139-M143 WeakPolarHBondContact O-CG 3.46Å; L139-M143 PolarHBondContact O-N 3.28Å; D140-M143 PolarHBondContact O-N 2.61Å; M143-A145 PolarHBondContact O-N 2.88Å; M143-F146 PolarHBondContact O-N 2.76Å; M143-L147 HydrophobicContact CE-CD1 4.32Å; M143-L147 VanDerWaalsContact O-CB 3.28Å; M143-L147 WeakPolarHBondContact O-CB 3.23Å; M143-L147 WeakPolarHBondContact O-CG 3.47Å; M143-L147 PolarHBondContact O-N 3.03Å; M143-Y174 HydrophobicContact CE-CE1 4.31Å; M143-Y174 WeakPolarHBondContact CG-OH 3.3Å; M143-I178 HydrophobicContact CB-CD1 4.31Å
144Q98.6Very high98.3Very high38 Ų3845.9 Ų45.918%0.17825%0.254CS..Hα-helixtrans-57.4-50.6175.1-75.7164.7-5.200111.3K72 D140 A141 L147 L148 I178 F179K72-Q144 HydrophobicContact CB-CG 4.37Å; D140-Q144 WeakPolarHBondContact O-CB 3.32Å; D140-Q144 WeakPolarHBondContact O-CG 3.41Å; D140-Q144 PolarHBondContact O-N 3.47Å; A141-Q144 PolarHBondContact O-N 3.02Å; Q144-L147 PolarHBondContact O-N 2.94Å; Q144-L148 VanDerWaalsContact O-CB 3.3Å; Q144-L148 WeakPolarHBondContact O-CB 3.05Å; Q144-L148 VanDerWaalsContact O-CG 3.28Å; Q144-L148 WeakPolarHBondContact O-CG 3.25Å; Q144-L148 PolarHBondContact O-N 3.02Å; Q144-I178 HydrophobicContact CG-CB 3.86Å; Q144-I178 HydrophobicContact CG-CD1 4.39Å; Q144-I178 HydrophobicContact CG-CG1 4.43Å; Q144-I178 PolarHBondContact NE2-O 3.1Å; Q144-F179 HydrophobicContact CB-CE1 4.3Å; Q144-F179 HydrophobicContact CB-CZ 4.46Å; Q144-F179 HydrophobicContact CG-CE1 4.14Å; Q144-F179 HydrophobicContact CG-CZ 4.38Å
145A98.2Very high98.1Very high51 Ų5145 Ų4542%0.42125%0.254SS..Hα-helixtrans-60.3-49.9179.700000111.4A141 A142 M143 L147 L148 E149A141-A145 PolarHBondContact O-N 3.48Å; A142-A145 PolarHBondContact O-N 3.19Å; M143-A145 PolarHBondContact O-N 2.88Å; A145-L147 PolarHBondContact O-N 2.94Å; A145-L148 PolarHBondContact O-N 3.21Å; A145-E149 WeakPolarHBondContact O-CB 3.31Å; A145-E149 VanDerWaalsContact O-CG 3.22Å; A145-E149 WeakPolarHBondContact O-CG 3.45Å; A145-E149 PolarHBondContact O-N 3.23Å
146F98.7Very high97.9Very high88 Ų8849.3 Ų49.339%0.38627%0.271SS..Hα-helixtrans-59.7-49179.6-177.8-85.7000112.2I112 A142 M143 E149 I150I112-F146 HydrophobicContact CB-CE1 4.18Å; I112-F146 HydrophobicContact CG1-CD1 4.4Å; I112-F146 HydrophobicContact CG1-CE1 4.42Å; I112-F146 HydrophobicContact CG2-CD1 3.89Å; I112-F146 HydrophobicContact CG2-CE1 3.69Å; A142-F146 WeakPolarHBondContact O-CB 3.38Å; A142-F146 PolarHBondContact O-N 3.49Å; M143-F146 PolarHBondContact O-N 2.76Å; F146-E149 PolarHBondContact O-N 2.92Å; F146-I150 HydrophobicContact CD1-CG1 4.42Å; F146-I150 HydrophobicContact CE1-CG1 4.02Å; F146-I150 HydrophobicContact CZ-CG1 4.31Å; F146-I150 WeakPolarHBondContact O-CG1 2.92Å; F146-I150 PolarHBondContact O-N 2.8Å
147L98.8Very high97.8Very high0 Ų049.7 Ų49.70%028%0.276CS..Hα-helixtrans-66.3-43-177.3-66.5175.8000111.5I109 I112 L113 M143 Q144 A145 I150 I151 L175 I178 F179I109-L147 HydrophobicContact CB-CD2 4.09Å; I109-L147 HydrophobicContact CD1-CD2 4.37Å; I109-L147 HydrophobicContact CG1-CD2 3.72Å; I109-L147 HydrophobicContact CG2-CD2 3.79Å; I112-L147 HydrophobicContact CG2-CD2 3.97Å; L113-L147 HydrophobicContact CD2-CD1 4.26Å; M143-L147 HydrophobicContact CE-CD1 4.32Å; M143-L147 VanDerWaalsContact O-CB 3.28Å; M143-L147 WeakPolarHBondContact O-CB 3.23Å; M143-L147 WeakPolarHBondContact O-CG 3.47Å; M143-L147 PolarHBondContact O-N 3.03Å; Q144-L147 PolarHBondContact O-N 2.94Å; A145-L147 PolarHBondContact O-N 2.94Å; L147-I150 PolarHBondContact O-N 3.42Å; L147-I151 WeakPolarHBondContact O-CB 3.49Å; L147-I151 WeakPolarHBondContact O-CG1 3.45Å; L147-I151 PolarHBondContact O-N 2.62Å; L147-L175 HydrophobicContact CD1-CD2 3.93Å; L147-I178 HydrophobicContact CD1-CD1 3.85Å; L147-F179 HydrophobicContact CB-CE2 4.13Å; L147-F179 HydrophobicContact CB-CZ 3.97Å; L147-F179 HydrophobicContact CD1-CE2 3.85Å; L147-F179 HydrophobicContact CD1-CZ 4.35Å
148L98.4Very high97.7Very high12 Ų1244.1 Ų44.16%0.06325%0.253CS..Hα-helixtrans-63.1-42.8177.1-76.2171.8000112.1Y70 M74 L76 Q144 A145 I150 I151 V152 F179Y70-L148 HydrophobicContact CD2-CB 4.18Å; Y70-L148 HydrophobicContact CE2-CB 4.3Å; M74-L148 HydrophobicContact SD-CD2 3.86Å; L76-L148 HydrophobicContact CD1-CD2 4.02Å; Q144-L148 VanDerWaalsContact O-CB 3.3Å; Q144-L148 WeakPolarHBondContact O-CB 3.05Å; Q144-L148 VanDerWaalsContact O-CG 3.28Å; Q144-L148 WeakPolarHBondContact O-CG 3.25Å; Q144-L148 PolarHBondContact O-N 3.02Å; A145-L148 PolarHBondContact O-N 3.21Å; L148-I150 VanDerWaalsContact C-N 3.3Å; L148-I150 PolarHBondContact O-N 2.91Å; L148-I151 PolarHBondContact O-N 2.97Å; L148-V152 VanDerWaalsContact O-CB 3.23Å; L148-V152 WeakPolarHBondContact O-CB 3.47Å; L148-V152 WeakPolarHBondContact O-CG2 3.36Å; L148-V152 PolarHBondContact O-N 3.48Å; L148-F179 HydrophobicContact CD1-CE1 4.02Å; L148-F179 HydrophobicContact CD2-CE1 3.92Å; L148-F179 HydrophobicContact CD2-CZ 4.4Å; L148-F179 HydrophobicContact CG-CE1 3.7Å; L148-F179 HydrophobicContact CG-CZ 4.04Å
149E98.1Very high97.5Very high64 Ų6445.8 Ų45.830%0.29926%0.26SS..Hα-helixtrans-56-46.4176.8-79.4-68.5130.500111.5Y70 A145 F146 K153Y70-E149 PolarHBondContact OH-OE1 2.84Å; A145-E149 WeakPolarHBondContact O-CB 3.31Å; A145-E149 VanDerWaalsContact O-CG 3.22Å; A145-E149 WeakPolarHBondContact O-CG 3.45Å; A145-E149 PolarHBondContact O-N 3.23Å; F146-E149 PolarHBondContact O-N 2.92Å; E149-K153 VanDerWaalsContact CD-NZ 3.34Å; E149-K153 VanDerWaalsContact O-CB 3.23Å; E149-K153 WeakPolarHBondContact O-CB 3.25Å; E149-K153 WeakPolarHBondContact O-CG 3.44Å; E149-K153 PolarHBondContact O-N 3.34Å; E149-K153 VanDerWaalsContact O-N 3.07Å; E149-K153 IonicContact OE1-NZ 2.99Å; E149-K153 PolarHBondContact OE1-NZ 2.92Å; E149-K153 VanDerWaalsContact OE2-CD 3.3Å; E149-K153 WeakPolarHBondContact OE2-CD 3.27Å; E149-K153 WeakPolarHBondContact OE2-CE 3.18Å; E149-K153 IonicContact OE2-NZ 3.88Å; E149-K153 PolarHBondContact OE2-NZ 3.42Å
150I98.6Very high97.4Very high47 Ų4746.5 Ų46.524%0.24126%0.262CS..Hα-helixtrans-64.1-58.9175.7-60.5-59.2000110.1T106 V108 I109 F146 L147 L148 V152 K153 H154T106-I150 HydrophobicContact CG2-CG2 3.74Å; V108-I150 HydrophobicContact CG2-CD1 4.18Å; V108-I150 HydrophobicContact CG2-CG1 4.1Å; V108-I150 HydrophobicContact CG2-CG2 4.05Å; I109-I150 HydrophobicContact CD1-CG2 4.07Å; I109-I150 HydrophobicContact CG1-CG2 4.19Å; F146-I150 HydrophobicContact CD1-CG1 4.42Å; F146-I150 HydrophobicContact CE1-CG1 4.02Å; F146-I150 HydrophobicContact CZ-CG1 4.31Å; F146-I150 WeakPolarHBondContact O-CG1 2.92Å; F146-I150 PolarHBondContact O-N 2.8Å; L147-I150 PolarHBondContact O-N 3.42Å; L148-I150 VanDerWaalsContact C-N 3.3Å; L148-I150 PolarHBondContact O-N 2.91Å; I150-V152 VanDerWaalsContact C-N 3.26Å; I150-V152 PolarHBondContact O-N 3.1Å; I150-K153 PolarHBondContact O-N 3.4Å; I150-H154 VanDerWaalsContact O-CB 3.31Å; I150-H154 WeakPolarHBondContact O-CB 3.23Å; I150-H154 PolarHBondContact O-CD2 2.84Å; I150-H154 PolarHBondContact O-N 2.65Å
151I98.4Very high97.4Very high1 Ų145.9 Ų45.91%0.00526%0.259CS..Hα-helixtrans-55-42.2-173.8-67.7169000111.3L76 F78 R101 I109 L147 L148 L161 N163L76-I151 HydrophobicContact CD1-CD1 4.28Å; L76-I151 HydrophobicContact CD2-CG2 4.11Å; F78-I151 HydrophobicContact CE1-CD1 3.84Å; F78-I151 HydrophobicContact CZ-CD1 3.81Å; R101-I151 PolarHBondContact NH1-O 2.98Å; R101-I151 PolarHBondContact NH2-O 3.1Å; I109-I151 HydrophobicContact CD1-CD1 4.21Å; I109-I151 HydrophobicContact CD1-CG1 3.7Å; L147-I151 WeakPolarHBondContact O-CB 3.49Å; L147-I151 WeakPolarHBondContact O-CG1 3.45Å; L147-I151 PolarHBondContact O-N 2.62Å; L148-I151 PolarHBondContact O-N 2.97Å; I151-L161 HydrophobicContact CG2-CB 4.08Å; I151-L161 HydrophobicContact CG2-CD1 4.3Å; I151-N163 HydrophobicContact CD1-CB 4.26Å; I151-N163 HydrophobicContact CG1-CB 4.12Å
152V97.8Very high97.5Very high3 Ų343.3 Ų43.32%0.01824%0.238CC..Hα-helixtrans-75.2-45.5-177.9174.70000111.5F68 Y70 R101 L148 I150 L161F68-V152 HydrophobicContact CD1-CG1 4.02Å; F68-V152 HydrophobicContact CE1-CG1 3.78Å; F68-V152 HydrophobicContact CE1-CG2 4.48Å; Y70-V152 HydrophobicContact CD1-CB 4.43Å; Y70-V152 HydrophobicContact CD1-CG1 3.77Å; Y70-V152 HydrophobicContact CD1-CG2 4.1Å; Y70-V152 HydrophobicContact CD2-CB 4.44Å; Y70-V152 HydrophobicContact CD2-CG2 3.66Å; Y70-V152 HydrophobicContact CE1-CB 4.43Å; Y70-V152 HydrophobicContact CE1-CG1 3.76Å; Y70-V152 HydrophobicContact CE1-CG2 4.49Å; Y70-V152 HydrophobicContact CE2-CB 4.42Å; Y70-V152 HydrophobicContact CE2-CG2 4.09Å; Y70-V152 HydrophobicContact CG-CB 4.42Å; Y70-V152 HydrophobicContact CG-CG1 4.2Å; Y70-V152 HydrophobicContact CG-CG2 3.64Å; R101-V152 PolarHBondContact NH2-O 3.11Å; R101-V152 VanDerWaalsContact NH2-O 3.15Å; L148-V152 VanDerWaalsContact O-CB 3.23Å; L148-V152 WeakPolarHBondContact O-CB 3.47Å; L148-V152 WeakPolarHBondContact O-CG2 3.36Å; L148-V152 PolarHBondContact O-N 3.48Å; I150-V152 VanDerWaalsContact C-N 3.26Å; I150-V152 PolarHBondContact O-N 3.1Å; V152-L161 HydrophobicContact CB-CD1 4.19Å; V152-L161 HydrophobicContact CG2-CD1 3.53Å
153K97.4Very high97.5Very high105 Ų10540.6 Ų40.646%0.45722%0.215SC..Hα-helixtrans-95.1-10.5-166.4-58.9-175.7179.51740114.9L58 Y70 E149 I150 G155L58-K153 HydrophobicContact CD1-CD 4.02Å; L58-K153 VanDerWaalsContact CD1-CE 3.42Å; L58-K153 HydrophobicContact CD1-CG 3.98Å; Y70-K153 VanDerWaalsContact OH-CE 3.25Å; Y70-K153 WeakPolarHBondContact OH-CE 3.31Å; E149-K153 VanDerWaalsContact CD-NZ 3.34Å; E149-K153 VanDerWaalsContact O-CB 3.23Å; E149-K153 WeakPolarHBondContact O-CB 3.25Å; E149-K153 WeakPolarHBondContact O-CG 3.44Å; E149-K153 PolarHBondContact O-N 3.34Å; E149-K153 VanDerWaalsContact O-N 3.07Å; E149-K153 IonicContact OE1-NZ 2.99Å; E149-K153 PolarHBondContact OE1-NZ 2.92Å; E149-K153 VanDerWaalsContact OE2-CD 3.3Å; E149-K153 WeakPolarHBondContact OE2-CD 3.27Å; E149-K153 WeakPolarHBondContact OE2-CE 3.18Å; E149-K153 IonicContact OE2-NZ 3.88Å; E149-K153 PolarHBondContact OE2-NZ 3.42Å; I150-K153 PolarHBondContact O-N 3.4Å; K153-G155 PolarHBondContact O-N 2.85Å
154H97.6Very high97.5Very high57 Ų5740.2 Ų40.226%0.26421%0.213SC..THydrogen-bonded Turntrans-76.9-4.8-179.383.975.7000114.2R101 C102 I150R101-H154 PolarHBondContact NH1-NE2 3.2Å; C102-H154 PolarHBondContact O-CE1 2.95Å; C102-H154 VanDerWaalsContact O-CE1 3.26Å; I150-H154 VanDerWaalsContact O-CB 3.31Å; I150-H154 WeakPolarHBondContact O-CB 3.23Å; I150-H154 PolarHBondContact O-CD2 2.84Å; I150-H154 PolarHBondContact O-N 2.65Å
155G95.8Very high97.5Very high27 Ų2738.5 Ų38.528%0.27821%0.205SC..SBendtrans-161.9-174.4-179.900000111.7K153K153-G155 PolarHBondContact O-N 2.85Å
156E93.6Very high97.5Very high134 Ų13436.5 Ų36.563%0.62619%0.188SC*.  trans-62.5149.7-176.7-62.7-54.4131.700112.8R101R101-E156 PolarHBondContact NE-O 2.79Å; R101-E156 PolarHBondContact NH2-O 2.85Å
157P94.9Very high97.5Very high51 Ų5134.9 Ų34.933%0.33118%0.181SC..  trans-67.5146.8173.229.3-34.3000111.3F68F68-P157 HydrophobicContact CD2-CB 4.04Å; F68-P157 HydrophobicContact CE2-CB 4.2Å; F68-P157 HydrophobicContact CG-CB 4.39Å
158A95.6Very high97.5Very high20 Ų2034.9 Ų34.917%0.16518%0.181CC..  trans-153.2164.2173.900000110.5R101 F160 L161R101-A158 HydrophobicContact CB-CB 3.56Å; A158-F160 VanDerWaalsContact C-N 3.34Å; A158-L161 HydrophobicContact CB-CD2 4.21Å
159N94.6Very high97.5Very high110 Ų11034.3 Ų34.359%0.58818%0.178SC*.SBendtrans-64.6-40.2179.2-68.6-14.6000111.8E99E99-N159 HydrophobicContact CB-CB 4.28Å; E99-N159 PolarHBondContact O-N 2.91Å; E99-N159 PolarHBondContact OE2-ND2 2.57Å
160F97.4Very high97.5Very high35 Ų3535.1 Ų35.115%0.15418%0.181CC..EExtended strand (participates in β ladder)trans-115.2109.5178-61.5-85.8000109.4P75 I77 E99 V100 R101 A158 V263P75-F160 HydrophobicContact CG-CD1 4.19Å; P75-F160 HydrophobicContact CG-CE1 4.3Å; I77-F160 HydrophobicContact CD1-CB 4.16Å; E99-F160 HydrophobicContact CB-CD2 4Å; E99-F160 HydrophobicContact CB-CE2 4.36Å; E99-F160 PolarHBondContact O-N 2.82Å; V100-F160 WeakPolarHBondContact CA-O 3.43Å; V100-F160 HydrophobicContact CB-CB 4.42Å; V100-F160 HydrophobicContact CG1-CB 4.43Å; V100-F160 HydrophobicContact CG2-CB 3.98Å; V100-F160 HydrophobicContact CG2-CD2 4.43Å; R101-F160 PolarHBondContact N-O 3.15Å; A158-F160 VanDerWaalsContact C-N 3.34Å; F160-V263 HydrophobicContact CD1-CG2 3.83Å; F160-V263 HydrophobicContact CD2-CG1 4.38Å; F160-V263 HydrophobicContact CD2-CG2 4.01Å; F160-V263 HydrophobicContact CE1-CG2 3.84Å; F160-V263 HydrophobicContact CE2-CG1 4.29Å; F160-V263 HydrophobicContact CE2-CG2 4.04Å; F160-V263 HydrophobicContact CG-CG2 3.92Å; F160-V263 HydrophobicContact CZ-CG2 3.94Å
161L98.6Very high97.5Very high0 Ų033.2 Ų33.20%017%0.172CC..EExtended strand (participates in β ladder)trans-87.8137.4175.8-62.6-169.3000110.8F68 M74 L76 I77 I151 V152 A158F68-L161 HydrophobicContact CE1-CD1 4.27Å; F68-L161 HydrophobicContact CZ-CD1 4.16Å; F68-L161 HydrophobicContact CZ-CG 4.43Å; M74-L161 HydrophobicContact CE-CB 4.08Å; M74-L161 HydrophobicContact CE-CD1 3.56Å; M74-L161 HydrophobicContact CE-CG 3.73Å; M74-L161 HydrophobicContact SD-CD1 4.47Å; L76-L161 WeakPolarHBondContact CA-O 3.3Å; L76-L161 HydrophobicContact CD2-CB 3.86Å; I77-L161 PolarHBondContact N-O 3.34Å; I151-L161 HydrophobicContact CG2-CB 4.08Å; I151-L161 HydrophobicContact CG2-CD1 4.3Å; V152-L161 HydrophobicContact CB-CD1 4.19Å; V152-L161 HydrophobicContact CG2-CD1 3.53Å; A158-L161 HydrophobicContact CB-CD2 4.21Å
162C98.8Very high97.6Very high0 Ų033.2 Ų33.20%017%0.172CC..EExtended strand (participates in β ladder)trans-127.6149.1-177.1163.40000109.9I77 I79 V100 R101 C102I77-C162 HydrophobicContact CB-CB 3.89Å; I77-C162 HydrophobicContact CD1-CB 4.46Å; I77-C162 HydrophobicContact CG2-CB 4.43Å; I77-C162 CarbonylContact O-C 3.51Å; I77-C162 WeakPolarHBondContact O-CA 3.43Å; I79-C162 WeakPolarHBondContact CD1-SG 3.29Å; V100-C162 HydrophobicContact CG1-CB 4.27Å; R101-C162 WeakPolarHBondContact O-CB 3.22Å; R101-C162 PolarHBondContact O-N 2.75Å; C102-C162 WeakPolarHBondContact CA-O 3.09Å; C102-C162 HydrophobicContact CB-CB 3.67Å; C102-C162 WeakPolarHBondContact CB-SG 3.34Å; C102-C162 WeakPolarHBondContact SG-CB 3.32Å; C102-C162 CovalentContact SG-SG 2.03Å; C102-C162 PolarHBondContact SG-SG 3.29Å
163N98.9Very high97.6Very high1 Ų135.3 Ų35.31%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-129.1133.8169.1172.9-109.8000109.9I77 F78 I79 T106 I151 D165I77-N163 PolarHBondContact O-N 3.44Å; F78-N163 WeakPolarHBondContact CA-O 3.27Å; F78-N163 HydrophobicContact CD1-CB 4.04Å; F78-N163 HydrophobicContact CE1-CB 4.13Å; I79-N163 PolarHBondContact N-O 2.96Å; T106-N163 WeakPolarHBondContact CG2-ND2 3.46Å; I151-N163 HydrophobicContact CD1-CB 4.26Å; I151-N163 HydrophobicContact CG1-CB 4.12Å; N163-D165 PolarHBondContact ND2-OD2 3.2Å
164K98.8Very high97.6Very high0 Ų032.2 Ų32.20%017%0.172CC..EExtended strand (participates in β ladder)trans-120.599.6171.6-173.6-82.6-49.4-1590109.6I79 T88 R91 E105 E288I79-K164 HydrophobicContact CB-CB 4.11Å; I79-K164 HydrophobicContact CB-CG 4Å; I79-K164 HydrophobicContact CG2-CG 4.03Å; I79-K164 WeakPolarHBondContact O-CA 3.47Å; T88-K164 PolarHBondContact OG1-NZ 2.71Å; R91-K164 HydrophobicContact CB-CB 3.79Å; R91-K164 HydrophobicContact CB-CG 3.99Å; R91-K164 HydrophobicContact CG-CB 3.92Å; R91-K164 HydrophobicContact CG-CD 4.46Å; R91-K164 HydrophobicContact CG-CG 3.94Å; E105-K164 VanDerWaalsContact CD-NZ 3.3Å; E105-K164 HydrophobicContact CG-CD 4.23Å; E105-K164 VanDerWaalsContact CG-CE 3.46Å; E105-K164 IonicContact OE1-NZ 3.71Å; E105-K164 PolarHBondContact OE1-NZ 3Å; K164-E288 IonicContact NZ-OE2 2.69Å; K164-E288 PolarHBondContact NZ-OE2 3.42Å
165D98.8Very high97.7Very high2 Ų229.5 Ų29.51%0.01116%0.16CC..  trans-129.8112165.9-85.2-80.8000107.1T106 R107 P110 N163 F167 A168T106-D165 WeakPolarHBondContact CB-OD2 3.06Å; T106-D165 PolarHBondContact N-OD1 2.78Å; T106-D165 PolarHBondContact N-OD2 2.83Å; T106-D165 VanDerWaalsContact N-OD2 3.1Å; T106-D165 PolarHBondContact OG1-OD2 3.16Å; R107-D165 WeakPolarHBondContact CA-OD1 3.3Å; R107-D165 PolarHBondContact N-OD1 3.32Å; P110-D165 HydrophobicContact CG-CB 4.01Å; N163-D165 PolarHBondContact ND2-OD2 3.2Å; D165-F167 VanDerWaalsContact C-N 3.29Å; D165-F167 PolarHBondContact O-N 3.48Å; D165-A168 HydrophobicContact CB-CB 4.07Å; D165-A168 VanDerWaalsContact O-CB 3.25Å; D165-A168 WeakPolarHBondContact O-CB 3.38Å; D165-A168 PolarHBondContact O-N 3.28Å
166P98.6Very high97.8Very high10 Ų1029 Ų297%0.06515%0.152CC..G310 helixtrans-49.8-45.7-164.4-30.735000114.6G80 G81 P83G80-P166 WeakPolarHBondContact CA-O 3.38Å; G81-P166 PolarHBondContact N-O 3.29Å; G81-P166 CarbonylContact O-C 3.58Å; G81-P166 VanDerWaalsContact O-C 3.25Å; G81-P166 WeakPolarHBondContact O-CA 3.34Å; G81-P166 WeakPolarHBondContact O-CB 3.49Å; P83-P166 HydrophobicContact CG-CB 3.81Å; P83-P166 HydrophobicContact CG-CG 4.21Å
167F98.5Very high98Very high53 Ų5328.4 Ų28.423%0.23215%0.148CC..G310 helixtrans-90.75.3-178.3-67.4-37.6000115.4V82 P83 D165 L169 K170 I205 F208 A223 M227V82-F167 HydrophobicContact CG1-CE1 4.47Å; P83-F167 VanDerWaalsContact CD-CE1 3.43Å; P83-F167 HydrophobicContact CG-CE1 4.37Å; P83-F167 HydrophobicContact CG-CE2 4.08Å; P83-F167 HydrophobicContact CG-CZ 3.95Å; D165-F167 VanDerWaalsContact C-N 3.29Å; D165-F167 PolarHBondContact O-N 3.48Å; F167-L169 PolarHBondContact O-N 3.1Å; F167-K170 HydrophobicContact CB-CD 4.1Å; F167-K170 HydrophobicContact CB-CG 4.27Å; F167-K170 HydrophobicContact CD1-CD 4.05Å; F167-K170 HydrophobicContact CD1-CG 4.23Å; F167-K170 HydrophobicContact CG-CD 4.15Å; F167-K170 WeakPolarHBondContact O-CB 3.33Å; F167-K170 PolarHBondContact O-N 2.96Å; F167-K170 VanDerWaalsContact O-N 3.08Å; F167-I205 HydrophobicContact CE2-CG2 3.51Å; F167-I205 HydrophobicContact CZ-CG2 3.94Å; F167-F208 HydrophobicContact CZ-CE2 4.38Å; F167-A223 HydrophobicContact CE1-CB 4.18Å; F167-M227 HydrophobicContact CD1-CE 4.32Å; F167-M227 HydrophobicContact CD1-SD 4.39Å; F167-M227 HydrophobicContact CE1-CE 4.34Å
168A98.8Very high98.2Very high0 Ų026 Ų260%013%0.132CC..G310 helixtrans-58-33.4167.400000110.8I109 L113 D165 K170 S171 L175I109-A168 HydrophobicContact CG2-CB 4.27Å; L113-A168 HydrophobicContact CD1-CB 4.06Å; D165-A168 HydrophobicContact CB-CB 4.07Å; D165-A168 VanDerWaalsContact O-CB 3.25Å; D165-A168 WeakPolarHBondContact O-CB 3.38Å; D165-A168 PolarHBondContact O-N 3.28Å; A168-K170 PolarHBondContact O-N 2.9Å; A168-S171 PolarHBondContact O-N 3.33Å; A168-L175 HydrophobicContact CB-CD1 4.36Å
169L98.6Very high98.3Very high0 Ų025 Ų250%012%0.124CC..G310 helixtrans-70.8-5.9177.7-85.562.4000114.4F78 F167 S171 L172 L186 M227F78-L169 HydrophobicContact CB-CD1 4.17Å; F167-L169 PolarHBondContact O-N 3.1Å; L169-S171 PolarHBondContact O-N 2.6Å; L169-L172 HydrophobicContact CD2-CD1 4.42Å; L169-L172 HydrophobicContact CG-CD1 4.24Å; L169-L172 WeakPolarHBondContact O-CB 3.48Å; L169-L172 PolarHBondContact O-N 3.46Å; L169-L186 HydrophobicContact CD2-CB 4.04Å; L169-L186 HydrophobicContact CD2-CD1 3.91Å; L169-M227 HydrophobicContact CB-CG 4.22Å; L169-M227 HydrophobicContact CB-SD 3.97Å
170K98.4Very high98.4Very high81 Ų8122.3 Ų22.335%0.35211%0.113SC..G310 helixtrans-67.3-16164.2-67.2-174.668-179.10112.4F167 A168 M227 Q230F167-K170 HydrophobicContact CB-CD 4.1Å; F167-K170 HydrophobicContact CB-CG 4.27Å; F167-K170 HydrophobicContact CD1-CD 4.05Å; F167-K170 HydrophobicContact CD1-CG 4.23Å; F167-K170 HydrophobicContact CG-CD 4.15Å; F167-K170 WeakPolarHBondContact O-CB 3.33Å; F167-K170 PolarHBondContact O-N 2.96Å; F167-K170 VanDerWaalsContact O-N 3.08Å; A168-K170 PolarHBondContact O-N 2.9Å; K170-M227 HydrophobicContact CG-CG 4.08Å; K170-M227 HydrophobicContact CG-SD 4.27Å; K170-Q230 PolarHBondContact O-NE2 3.49Å; K170-Q230 PolarHBondContact O-OE1 3.21Å
171S98.8Very high98.5Very high8 Ų828 Ų286%0.05613%0.133CC..G310 helixtrans-117.628.4175.8-59.20000111A168 L169 S173 Y174 L175A168-S171 PolarHBondContact O-N 3.33Å; L169-S171 PolarHBondContact O-N 2.6Å; S171-S173 PolarHBondContact O-N 3.49Å; S171-Y174 WeakPolarHBondContact O-CB 3.45Å; S171-Y174 PolarHBondContact O-N 3.5Å; S171-Y174 VanDerWaalsContact O-N 3.14Å; S171-L175 WeakPolarHBondContact O-CG 3.48Å; S171-L175 PolarHBondContact O-N 3.21Å
172L98.8Very high98.5Very high0 Ų028 Ų280%013%0.133CC..Hα-helixtrans-53.8-51.1-179.1-175.7163.1000111.6L169 Y174 L175 A176 F184 Q230 C231 A234 C238L169-L172 HydrophobicContact CD2-CD1 4.42Å; L169-L172 HydrophobicContact CG-CD1 4.24Å; L169-L172 WeakPolarHBondContact O-CB 3.48Å; L169-L172 PolarHBondContact O-N 3.46Å; L172-Y174 PolarHBondContact O-N 3.48Å; L172-L175 PolarHBondContact O-N 2.95Å; L172-L175 VanDerWaalsContact O-N 3.12Å; L172-A176 WeakPolarHBondContact O-CB 3.27Å; L172-A176 PolarHBondContact O-N 3.36Å; L172-F184 HydrophobicContact CD1-CB 3.92Å; L172-F184 HydrophobicContact CD1-CD1 4.24Å; L172-F184 HydrophobicContact CD1-CG 4.02Å; L172-F184 HydrophobicContact CD2-CD2 4.14Å; L172-F184 HydrophobicContact CD2-CE2 4.42Å; L172-F184 HydrophobicContact CD2-CG 4.24Å; L172-F184 HydrophobicContact CG-CB 4.24Å; L172-F184 HydrophobicContact CG-CD1 3.74Å; L172-F184 HydrophobicContact CG-CD2 4.16Å; L172-F184 HydrophobicContact CG-CE1 4.17Å; L172-F184 HydrophobicContact CG-CG 3.76Å; L172-Q230 HydrophobicContact CB-CB 4.02Å; L172-Q230 HydrophobicContact CD2-CB 4.38Å; L172-C231 HydrophobicContact CD1-CB 4.07Å; L172-A234 HydrophobicContact CD2-CB 3.45Å; L172-A234 VanDerWaalsContact CD2-CB 3.45Å; L172-C238 HydrophobicContact CD1-CB 4.26Å
173S98.4Very high98.5Very high47 Ų4729.5 Ų29.533%0.32914%0.14SC..Hα-helixtrans-61.2-33.8-178.9-48.70000111.9S171 K177 Q230S171-S173 PolarHBondContact O-N 3.49Å; S173-K177 PolarHBondContact O-N 3.48Å; S173-Q230 WeakPolarHBondContact OG-CB 3.44Å; S173-Q230 VanDerWaalsContact OG-CG 3.28Å; S173-Q230 WeakPolarHBondContact OG-CG 3.25Å; S173-Q230 PolarHBondContact OG-OE1 3.31Å
174Y98.6Very high98.5Very high41 Ų4129.4 Ų29.416%0.16114%0.139CC..Hα-helixtrans-70.9-45.7175.1-179.8-114.2000112.1L113 K116 D140 M143 S171 L172 A176 K177 I178L113-Y174 HydrophobicContact CD2-CD1 3.88Å; L113-Y174 HydrophobicContact CD2-CE1 4.13Å; K116-Y174 HydrophobicContact CG-CE1 4.14Å; D140-Y174 WeakPolarHBondContact OD1-CE2 3.02Å; D140-Y174 VanDerWaalsContact OD1-CZ 3.27Å; D140-Y174 PolarHBondContact OD1-OH 2.76Å; M143-Y174 HydrophobicContact CE-CE1 4.31Å; M143-Y174 WeakPolarHBondContact CG-OH 3.3Å; S171-Y174 WeakPolarHBondContact O-CB 3.45Å; S171-Y174 PolarHBondContact O-N 3.5Å; S171-Y174 VanDerWaalsContact O-N 3.14Å; L172-Y174 PolarHBondContact O-N 3.48Å; Y174-A176 VanDerWaalsContact C-N 3.28Å; Y174-A176 PolarHBondContact O-N 2.91Å; Y174-K177 WeakPolarHBondContact O-CB 3.38Å; Y174-K177 PolarHBondContact O-N 3.45Å; Y174-K177 VanDerWaalsContact O-N 3.11Å; Y174-I178 HydrophobicContact CD1-CD1 4.38Å; Y174-I178 HydrophobicContact CD2-CG2 4.35Å; Y174-I178 HydrophobicContact CE1-CD1 3.87Å; Y174-I178 HydrophobicContact CE1-CG2 4.42Å; Y174-I178 HydrophobicContact CE2-CG2 3.77Å; Y174-I178 PolarHBondContact O-N 2.94Å
175L98.8Very high98.5Very high0 Ų029.4 Ų29.40%014%0.139CC..Hα-helixtrans-59.2-40.6175.2-72.4169.1000111.3F78 L113 L147 A168 S171 L172 K177 I178 F179 F184F78-L175 HydrophobicContact CD1-CD1 4.09Å; F78-L175 HydrophobicContact CE1-CD1 4.25Å; F78-L175 HydrophobicContact CE1-CD2 4.14Å; F78-L175 HydrophobicContact CG-CD1 4.41Å; F78-L175 HydrophobicContact CZ-CD2 4.12Å; L113-L175 HydrophobicContact CD1-CD1 4.18Å; L113-L175 HydrophobicContact CD1-CD2 4.27Å; L113-L175 HydrophobicContact CD1-CG 4.43Å; L113-L175 HydrophobicContact CD2-CD2 4.03Å; L113-L175 HydrophobicContact CD2-CG 4.37Å; L147-L175 HydrophobicContact CD1-CD2 3.93Å; A168-L175 HydrophobicContact CB-CD1 4.36Å; S171-L175 WeakPolarHBondContact O-CG 3.48Å; S171-L175 PolarHBondContact O-N 3.21Å; L172-L175 PolarHBondContact O-N 2.95Å; L172-L175 VanDerWaalsContact O-N 3.12Å; L175-K177 VanDerWaalsContact C-N 3.28Å; L175-K177 PolarHBondContact O-N 3.44Å; L175-I178 HydrophobicContact CD2-CD1 4.45Å; L175-I178 PolarHBondContact O-N 2.99Å; L175-F179 HydrophobicContact CD2-CD2 4.27Å; L175-F179 HydrophobicContact CD2-CE2 4.27Å; L175-F179 WeakPolarHBondContact O-CB 3.33Å; L175-F179 PolarHBondContact O-N 3.33Å; L175-F184 HydrophobicContact CB-CE1 3.61Å; L175-F184 HydrophobicContact CB-CZ 3.71Å; L175-F184 HydrophobicContact CD1-CE1 4.12Å
176A98.4Very high98.5Very high15 Ų1529.3 Ų29.312%0.12414%0.139CC..Hα-helixtrans-66.1-29177.200000113.2L172 Y174 F184L172-A176 WeakPolarHBondContact O-CB 3.27Å; L172-A176 PolarHBondContact O-N 3.36Å; Y174-A176 VanDerWaalsContact C-N 3.28Å; Y174-A176 PolarHBondContact O-N 2.91Å; A176-F184 HydrophobicContact CB-CE2 3.67Å; A176-F184 HydrophobicContact CB-CZ 3.95Å
177K97.8Very high98.5Very high122 Ų12228.9 Ų28.953%0.5314%0.136SC..Hα-helixtrans-69.5-51.1172.3-177.7-162.8178.2-161.20110.7D140 S173 Y174 L175D140-K177 WeakPolarHBondContact OD2-CE 3.48Å; D140-K177 IonicContact OD2-NZ 3.68Å; D140-K177 PolarHBondContact OD2-NZ 2.9Å; S173-K177 PolarHBondContact O-N 3.48Å; Y174-K177 WeakPolarHBondContact O-CB 3.38Å; Y174-K177 PolarHBondContact O-N 3.45Å; Y174-K177 VanDerWaalsContact O-N 3.11Å; L175-K177 VanDerWaalsContact C-N 3.28Å; L175-K177 PolarHBondContact O-N 3.44Å
178I98.1Very high98.5Very high1 Ų126.3 Ų26.31%0.00513%0.125CC..Hα-helixtrans-83-20.2-171.767.7170.7000113.6D140 M143 Q144 L147 Y174 L175D140-I178 HydrophobicContact CB-CG2 3.95Å; M143-I178 HydrophobicContact CB-CD1 4.31Å; Q144-I178 HydrophobicContact CG-CB 3.86Å; Q144-I178 HydrophobicContact CG-CD1 4.39Å; Q144-I178 HydrophobicContact CG-CG1 4.43Å; Q144-I178 PolarHBondContact NE2-O 3.1Å; L147-I178 HydrophobicContact CD1-CD1 3.85Å; Y174-I178 HydrophobicContact CD1-CD1 4.38Å; Y174-I178 HydrophobicContact CD2-CG2 4.35Å; Y174-I178 HydrophobicContact CE1-CD1 3.87Å; Y174-I178 HydrophobicContact CE1-CG2 4.42Å; Y174-I178 HydrophobicContact CE2-CG2 3.77Å; Y174-I178 PolarHBondContact O-N 2.94Å; L175-I178 HydrophobicContact CD2-CD1 4.45Å; L175-I178 PolarHBondContact O-N 2.99Å
179F98.5Very high98.5Very high0 Ų027.2 Ų27.20%013%0.128CC..SBendtrans-123.386.4173.1-61.3-60.5000110K72 L76 F78 Q144 L147 L148 L175 R181 A182K72-F179 HydrophobicContact CB-CD1 4.14Å; K72-F179 HydrophobicContact CB-CE1 4.27Å; L76-F179 HydrophobicContact CD1-CB 4.41Å; L76-F179 HydrophobicContact CD1-CD1 3.84Å; L76-F179 HydrophobicContact CD1-CD2 4.08Å; L76-F179 HydrophobicContact CD1-CE1 4.09Å; L76-F179 HydrophobicContact CD1-CE2 4.29Å; L76-F179 HydrophobicContact CD1-CG 3.85Å; L76-F179 HydrophobicContact CD1-CZ 4.29Å; F78-F179 HydrophobicContact CE2-CD2 4.1Å; F78-F179 AromaticContact CZ-CD2 3.94Å; F78-F179 HydrophobicContact CZ-CD2 3.94Å; F78-F179 HydrophobicContact CZ-CE2 4.14Å; Q144-F179 HydrophobicContact CB-CE1 4.3Å; Q144-F179 HydrophobicContact CB-CZ 4.46Å; Q144-F179 HydrophobicContact CG-CE1 4.14Å; Q144-F179 HydrophobicContact CG-CZ 4.38Å; L147-F179 HydrophobicContact CB-CE2 4.13Å; L147-F179 HydrophobicContact CB-CZ 3.97Å; L147-F179 HydrophobicContact CD1-CE2 3.85Å; L147-F179 HydrophobicContact CD1-CZ 4.35Å; L148-F179 HydrophobicContact CD1-CE1 4.02Å; L148-F179 HydrophobicContact CD2-CE1 3.92Å; L148-F179 HydrophobicContact CD2-CZ 4.4Å; L148-F179 HydrophobicContact CG-CE1 3.7Å; L148-F179 HydrophobicContact CG-CZ 4.04Å; L175-F179 HydrophobicContact CD2-CD2 4.27Å; L175-F179 HydrophobicContact CD2-CE2 4.27Å; L175-F179 WeakPolarHBondContact O-CB 3.33Å; L175-F179 PolarHBondContact O-N 3.33Å; F179-R181 VanDerWaalsContact C-N 3.25Å; F179-R181 PolarHBondContact O-N 3.01Å; F179-R181 VanDerWaalsContact O-N 3.15Å; F179-A182 HydrophobicContact CB-CB 3.71Å; F179-A182 VanDerWaalsContact O-CB 3.28Å; F179-A182 WeakPolarHBondContact O-CB 3.47Å; F179-A182 PolarHBondContact O-N 3.49Å
180P97.1Very high98.5Very high53 Ų5327.2 Ų27.234%0.34413%0.128SC..THydrogen-bonded Turntrans-63-28.3-167.3-26.135.7000114.7K237P180-K237 PolarHBondContact O-NZ 3.4Å
181R97.9Very high98.6Very high153 Ų15323.3 Ų23.358%0.57711%0.111SC*.THydrogen-bonded Turntrans-96.66.7178.5-68.2-167.458.7-159.95.8113.8D73 F179D73-R181 VanDerWaalsContact O-CD 3.27Å; D73-R181 WeakPolarHBondContact O-CD 3.35Å; F179-R181 VanDerWaalsContact C-N 3.25Å; F179-R181 PolarHBondContact O-N 3.01Å; F179-R181 VanDerWaalsContact O-N 3.15Å
182A98.6Very high98.6Very high0 Ų023 Ų230%011%0.108CC..  trans-71.1143176.500000111.8L76 F78 F179 F184L76-A182 HydrophobicContact CB-CB 4.12Å; L76-A182 CarbonylContact O-C 3.56Å; L76-A182 WeakPolarHBondContact O-CA 3.38Å; F78-A182 HydrophobicContact CD2-CB 3.98Å; F78-A182 HydrophobicContact CE2-CB 3.87Å; F179-A182 HydrophobicContact CB-CB 3.71Å; F179-A182 VanDerWaalsContact O-CB 3.28Å; F179-A182 WeakPolarHBondContact O-CB 3.47Å; F179-A182 PolarHBondContact O-N 3.49Å; A182-F184 HydrophobicContact CB-CE2 4.19Å; A182-F184 HydrophobicContact CB-CZ 4.01Å
183K98.9Very high98.6Very high32 Ų3223.2 Ų23.214%0.13911%0.11CC..EExtended strand (participates in β ladder)trans-115.3150.4170.3-71.5-178178.91700110.5L76 I77 F78 K237 F260 L261 E262L76-K183 PolarHBondContact O-N 3.04Å; I77-K183 CarbonylContact C-O 3.09Å; I77-K183 WeakPolarHBondContact CA-O 3.4Å; F78-K183 PolarHBondContact N-O 3.32Å; K183-K237 CarbonylContact C-O 3.43Å; K183-K237 WeakPolarHBondContact CA-O 3.4Å; K183-F260 HydrophobicContact CB-CE1 3.95Å; K183-F260 HydrophobicContact CB-CZ 4.08Å; K183-F260 HydrophobicContact CD-CE1 4.14Å; K183-F260 HydrophobicContact CD-CE2 4.49Å; K183-F260 HydrophobicContact CD-CZ 4.11Å; K183-F260 WeakPolarHBondContact CD-O 3.34Å; K183-F260 WeakPolarHBondContact CE-O 3.34Å; K183-F260 HydrophobicContact CG-CE1 4.39Å; K183-F260 HydrophobicContact CG-CZ 4.19Å; K183-F260 PolarHBondContact NZ-O 3.21Å; K183-L261 HydrophobicContact CB-CD2 3.79Å; K183-L261 HydrophobicContact CD-CD2 4.1Å; K183-E262 IonicContact NZ-OE1 3.28Å; K183-E262 PolarHBondContact NZ-OE1 3.12Å
184F98.9Very high98.6Very high0 Ų021 Ų210%010%0.095CC..EExtended strand (participates in β ladder)trans-122.4136-171.6-57.5-88.2000110.1F78 L172 L175 A176 A182 K237 C238 L239F78-F184 HydrophobicContact CB-CD1 3.55Å; F78-F184 HydrophobicContact CB-CE1 3.79Å; F78-F184 HydrophobicContact CD2-CD1 4.27Å; F78-F184 AromaticContact CD2-CE1 3.72Å; F78-F184 HydrophobicContact CD2-CE1 3.72Å; F78-F184 HydrophobicContact CD2-CZ 4.24Å; F78-F184 HydrophobicContact CG-CD1 4.21Å; F78-F184 AromaticContact CG-CE1 3.92Å; F78-F184 HydrophobicContact CG-CE1 3.92Å; F78-F184 CarbonylContact O-C 3.6Å; F78-F184 VanDerWaalsContact O-CA 3.32Å; F78-F184 WeakPolarHBondContact O-CA 3.18Å; L172-F184 HydrophobicContact CD1-CB 3.92Å; L172-F184 HydrophobicContact CD1-CD1 4.24Å; L172-F184 HydrophobicContact CD1-CG 4.02Å; L172-F184 HydrophobicContact CD2-CD2 4.14Å; L172-F184 HydrophobicContact CD2-CE2 4.42Å; L172-F184 HydrophobicContact CD2-CG 4.24Å; L172-F184 HydrophobicContact CG-CB 4.24Å; L172-F184 HydrophobicContact CG-CD1 3.74Å; L172-F184 HydrophobicContact CG-CD2 4.16Å; L172-F184 HydrophobicContact CG-CE1 4.17Å; L172-F184 HydrophobicContact CG-CG 3.76Å; L175-F184 HydrophobicContact CB-CE1 3.61Å; L175-F184 HydrophobicContact CB-CZ 3.71Å; L175-F184 HydrophobicContact CD1-CE1 4.12Å; A176-F184 HydrophobicContact CB-CE2 3.67Å; A176-F184 HydrophobicContact CB-CZ 3.95Å; A182-F184 HydrophobicContact CB-CE2 4.19Å; A182-F184 HydrophobicContact CB-CZ 4.01Å; F184-K237 HydrophobicContact CD2-CB 4.31Å; F184-K237 WeakPolarHBondContact CD2-O 3.34Å; F184-K237 PolarHBondContact N-O 3.08Å; F184-C238 HydrophobicContact CB-CB 4.01Å; F184-C238 CarbonylContact O-C 3.54Å; F184-C238 WeakPolarHBondContact O-CA 3.42Å; F184-L239 PolarHBondContact O-N 3.18Å
185V98.9Very high98.6Very high0 Ų019 Ų190%09%0.087CC..EExtended strand (participates in β ladder)trans-118.1105.2175-175.40000107.5I77 F78 I79 G80 M90 M187 M241 L257 L261I77-V185 HydrophobicContact CG2-CG2 4.33Å; F78-V185 PolarHBondContact O-N 2.79Å; I79-V185 WeakPolarHBondContact CA-O 3.19Å; I79-V185 HydrophobicContact CG1-CB 4.15Å; I79-V185 HydrophobicContact CG1-CG2 4.42Å; G80-V185 PolarHBondContact N-O 3.42Å; M90-V185 HydrophobicContact CG-CG1 4.19Å; M90-V185 HydrophobicContact SD-CG1 4.42Å; V185-M187 HydrophobicContact CG1-SD 4.15Å; V185-M241 HydrophobicContact CG1-CE 3.74Å; V185-M241 HydrophobicContact CG1-CG 4.19Å; V185-L257 HydrophobicContact CG1-CD1 4.24Å; V185-L257 HydrophobicContact CG2-CD1 3.57Å; V185-L261 HydrophobicContact CG2-CD2 4.49Å
186L98.9Very high98.6Very high0 Ų020.3 Ų20.30%09%0.093CC..EExtended strand (participates in β ladder)trans-90.8105.4178.8175.360.3000109.4L169 I188 I224 M227 Y228 C231 L239 M241L169-L186 HydrophobicContact CD2-CB 4.04Å; L169-L186 HydrophobicContact CD2-CD1 3.91Å; L186-I188 HydrophobicContact CD2-CD1 4.31Å; L186-I188 HydrophobicContact CD2-CG1 4.37Å; L186-I188 HydrophobicContact CG-CD1 4.42Å; L186-I188 HydrophobicContact CG-CG1 4.04Å; L186-I188 PolarHBondContact O-N 3.15Å; L186-I224 HydrophobicContact CD1-CD1 4.19Å; L186-M227 HydrophobicContact CD1-CB 3.84Å; L186-M227 HydrophobicContact CD1-SD 4.44Å; L186-M227 HydrophobicContact CD2-CB 4.38Å; L186-Y228 HydrophobicContact CD2-CD2 4.08Å; L186-C231 HydrophobicContact CB-CB 4.48Å; L186-C231 HydrophobicContact CD2-CB 3.73Å; L186-L239 PolarHBondContact N-O 2.88Å; L186-M241 PolarHBondContact O-N 3.14Å
187M98.9Very high98.6Very high0 Ų020.2 Ų20.20%09%0.092CC..EExtended strand (participates in β ladder)trans-74.6123.1173.4-62.7-55.8-60.100111I79 G80 T87 M90 V185 M241 L246I79-M187 HydrophobicContact CG2-CG 4.15Å; G80-M187 VanDerWaalsContact O-CB 3.32Å; G80-M187 WeakPolarHBondContact O-CB 3.27Å; G80-M187 PolarHBondContact O-N 3.42Å; T87-M187 HydrophobicContact CG2-CB 3.76Å; T87-M187 HydrophobicContact CG2-CG 3.81Å; M90-M187 HydrophobicContact CB-CE 4.21Å; M90-M187 HydrophobicContact CB-CG 4.15Å; M90-M187 HydrophobicContact CB-SD 3.71Å; M90-M187 HydrophobicContact CG-CG 4.35Å; M90-M187 HydrophobicContact CG-SD 3.6Å; M90-M187 HydrophobicContact SD-SD 3.94Å; V185-M187 HydrophobicContact CG1-SD 4.15Å; M187-M241 HydrophobicContact SD-CB 4.09Å; M187-M241 HydrophobicContact SD-CE 4.1Å; M187-L246 HydrophobicContact CE-CD2 3.92Å
188I98.9Very high98.6Very high0 Ų014.4 Ų14.40%07%0.066CC..EExtended strand (participates in β ladder)trans-116.1134.8179.6-58.4177.3000107.4L186 I224 Y228 P240 M241 H242 Y243 L328 Y330L186-I188 HydrophobicContact CD2-CD1 4.31Å; L186-I188 HydrophobicContact CD2-CG1 4.37Å; L186-I188 HydrophobicContact CG-CD1 4.42Å; L186-I188 HydrophobicContact CG-CG1 4.04Å; L186-I188 PolarHBondContact O-N 3.15Å; I188-I224 HydrophobicContact CG1-CD1 4.37Å; I188-Y228 HydrophobicContact CD1-CD2 3.93Å; I188-Y228 HydrophobicContact CD1-CE2 4.07Å; I188-P240 HydrophobicContact CD1-CB 3.67Å; I188-M241 PolarHBondContact N-O 3.07Å; I188-H242 CarbonylContact O-C 3.47Å; I188-H242 WeakPolarHBondContact O-CA 3.15Å; I188-Y243 PolarHBondContact O-N 3.18Å; I188-L328 HydrophobicContact CD1-CD2 3.96Å; I188-L328 HydrophobicContact CG2-CB 4.34Å; I188-L328 HydrophobicContact CG2-CD1 3.88Å; I188-L328 HydrophobicContact CG2-CD2 4.27Å; I188-L328 HydrophobicContact CG2-CG 4.38Å; I188-Y330 HydrophobicContact CG2-CE2 3.96Å
189R98.9Very high98.6Very high18 Ų1815.7 Ų15.77%0.0687%0.073CC..  trans-142.4154.2175.1-171.6178.5-173.3-176.36.8107.9R84 G191 A193 Y243 E244 A302 Y330R84-R189 WeakPolarHBondContact O-CD 3.41Å; R84-R189 PolarHBondContact O-NH1 2.98Å; R189-G191 PolarHBondContact O-N 3.06Å; R189-G191 VanDerWaalsContact O-N 3.12Å; R189-A193 HydrophobicContact CG-CB 4.34Å; R189-Y243 HydrophobicContact CG-CD1 3.69Å; R189-Y243 HydrophobicContact CG-CG 4.05Å; R189-Y243 VanDerWaalsContact CZ-CE1 3.49Å; R189-Y243 VanDerWaalsContact NE-CD1 3.25Å; R189-Y243 VanDerWaalsContact NE-CE1 3.34Å; R189-E244 WeakPolarHBondContact CG-OE1 3.31Å; R189-A302 PolarHBondContact NH2-O 3.29Å; R189-Y330 WeakPolarHBondContact CA-OH 3.24Å
190D98.9Very high98.6Very high0 Ų018.9 Ų18.90%010%0.095CC..  trans-48.7121.3170.5-167.8-39.5000110R192 A193 S194 E244 L325 Y330 Y339D190-R192 PolarHBondContact O-N 3.46Å; D190-R192 VanDerWaalsContact O-N 3.16Å; D190-R192 VanDerWaalsContact OD1-CB 3.24Å; D190-R192 WeakPolarHBondContact OD1-CB 3.36Å; D190-R192 IonicContact OD1-CZ 3.59Å; D190-R192 PolarHBondContact OD1-N 2.96Å; D190-R192 IonicContact OD1-NE 3.7Å; D190-R192 PolarHBondContact OD1-NE 2.74Å; D190-R192 IonicContact OD1-NH2 2.7Å; D190-R192 IonicContact OD2-CZ 3.68Å; D190-R192 IonicContact OD2-NE 2.89Å; D190-R192 PolarHBondContact OD2-NE 3.32Å; D190-R192 IonicContact OD2-NH2 3.6Å; D190-R192 PolarHBondContact OD2-NH2 2.76Å; D190-A193 HydrophobicContact CB-CB 4.23Å; D190-A193 WeakPolarHBondContact O-CA 3.42Å; D190-A193 WeakPolarHBondContact O-CB 3.25Å; D190-A193 PolarHBondContact O-N 2.81Å; D190-S194 PolarHBondContact O-N 2.96Å; D190-E244 PolarHBondContact N-OE1 3.04Å; D190-L325 WeakPolarHBondContact OD1-CD2 3.45Å; D190-Y330 HydrophobicContact CB-CD1 3.91Å; D190-Y330 HydrophobicContact CB-CE1 3.91Å; D190-Y330 HydrophobicContact CB-CG 4.34Å; D190-Y330 PolarHBondContact N-OH 2.84Å; D190-Y339 HydrophobicContact CB-CE1 4.23Å; D190-Y339 PolarHBondContact OD2-OH 3.05Å
191G98.8Very high98.5Very high0 Ų020.7 Ų20.70%010%0.095CC..Hα-helixtrans-58.4-30.6-176.800000113.1R189 S194 V195R189-G191 PolarHBondContact O-N 3.06Å; R189-G191 VanDerWaalsContact O-N 3.12Å; G191-S194 PolarHBondContact O-N 2.84Å; G191-V195 VanDerWaalsContact O-CB 3.29Å; G191-V195 WeakPolarHBondContact O-CB 3.36Å; G191-V195 VanDerWaalsContact O-CG2 3.26Å; G191-V195 WeakPolarHBondContact O-CG2 3.41Å; G191-V195 PolarHBondContact O-N 2.79Å
192R98.9Very high98.5Very high0 Ų021.1 Ų21.10%010%0.101CC..Hα-helixtrans-64.7-41.2175.6-64.4169.4-67.1-161.2-5.5111.1D190 H196 L217 W306 I310 M318 L325 D331 P332 A334D190-R192 PolarHBondContact O-N 3.46Å; D190-R192 VanDerWaalsContact O-N 3.16Å; D190-R192 VanDerWaalsContact OD1-CB 3.24Å; D190-R192 WeakPolarHBondContact OD1-CB 3.36Å; D190-R192 IonicContact OD1-CZ 3.59Å; D190-R192 PolarHBondContact OD1-N 2.96Å; D190-R192 IonicContact OD1-NE 3.7Å; D190-R192 PolarHBondContact OD1-NE 2.74Å; D190-R192 IonicContact OD1-NH2 2.7Å; D190-R192 IonicContact OD2-CZ 3.68Å; D190-R192 IonicContact OD2-NE 2.89Å; D190-R192 PolarHBondContact OD2-NE 3.32Å; D190-R192 IonicContact OD2-NH2 3.6Å; D190-R192 PolarHBondContact OD2-NH2 2.76Å; R192-H196 VanDerWaalsContact O-CB 3.23Å; R192-H196 WeakPolarHBondContact O-CB 3.37Å; R192-H196 PolarHBondContact O-N 2.84Å; R192-L217 HydrophobicContact CG-CD2 4.38Å; R192-W306 HydrophobicContact CB-CD2 3.71Å; R192-W306 HydrophobicContact CB-CE3 3.65Å; R192-W306 HydrophobicContact CB-CG 4.32Å; R192-W306 HydrophobicContact CB-CH2 4.12Å; R192-W306 HydrophobicContact CB-CZ2 4.16Å; R192-W306 HydrophobicContact CB-CZ3 3.87Å; R192-W306 VanDerWaalsContact CD-CH2 3.45Å; R192-W306 HydrophobicContact CG-CE3 4.44Å; R192-W306 HydrophobicContact CG-CH2 4.37Å; R192-W306 HydrophobicContact CG-CZ3 4.21Å; R192-I310 HydrophobicContact CB-CD1 3.62Å; R192-I310 HydrophobicContact CG-CD1 3.71Å; R192-M318 HydrophobicContact CG-CE 3.73Å; R192-M318 HydrophobicContact CG-SD 3.73Å; R192-L325 HydrophobicContact CG-CD1 4.38Å; R192-D331 PolarHBondContact NH1-O 2.93Å; R192-D331 PolarHBondContact NH2-O 3.15Å; R192-P332 PolarHBondContact NH1-O 2.88Å; R192-A334 PolarHBondContact NH1-O 2.6Å
193A98.8Very high98.3Very high5 Ų521.9 Ų21.94%0.04111%0.106CC..Hα-helixtrans-69.1-45.1176.600000112.2R189 D190 S197 W306R189-A193 HydrophobicContact CG-CB 4.34Å; D190-A193 HydrophobicContact CB-CB 4.23Å; D190-A193 WeakPolarHBondContact O-CA 3.42Å; D190-A193 WeakPolarHBondContact O-CB 3.25Å; D190-A193 PolarHBondContact O-N 2.81Å; A193-S197 WeakPolarHBondContact O-CB 3.4Å; A193-S197 PolarHBondContact O-N 3.42Å; A193-W306 HydrophobicContact CB-CG 4.24Å
194S98.8Very high98.1Very high0 Ų026.3 Ų26.30%014%0.136CC..Hα-helixtrans-64.2-43.4178.2-70.20000112R84 S85 D190 G191 S197 M198R84-S194 PolarHBondContact O-OG 3.23Å; S85-S194 PolarHBondContact OG-OG 2.83Å; D190-S194 PolarHBondContact O-N 2.96Å; G191-S194 PolarHBondContact O-N 2.84Å; S194-S197 PolarHBondContact O-N 3.24Å; S194-M198 PolarHBondContact O-N 3.01Å
195V98.8Very high97.9Very high0 Ų027.1 Ų27.10%014%0.14CC..Hα-helixtrans-66-47.5176.8169.10000111.7G191 S197 M198 I199 Y213 C216 L217 W220G191-V195 VanDerWaalsContact O-CB 3.29Å; G191-V195 WeakPolarHBondContact O-CB 3.36Å; G191-V195 VanDerWaalsContact O-CG2 3.26Å; G191-V195 WeakPolarHBondContact O-CG2 3.41Å; G191-V195 PolarHBondContact O-N 2.79Å; V195-S197 PolarHBondContact O-N 3.36Å; V195-M198 HydrophobicContact CG2-CE 4.17Å; V195-M198 HydrophobicContact CG2-SD 4.49Å; V195-M198 WeakPolarHBondContact O-CG 3.19Å; V195-M198 PolarHBondContact O-N 3.15Å; V195-I199 HydrophobicContact CG1-CD1 3.67Å; V195-I199 HydrophobicContact CG1-CG1 4.37Å; V195-I199 WeakPolarHBondContact O-CG1 3.42Å; V195-I199 PolarHBondContact O-N 2.75Å; V195-Y213 HydrophobicContact CG1-CD1 3.68Å; V195-Y213 HydrophobicContact CG1-CE1 4.17Å; V195-Y213 HydrophobicContact CG1-CG 4.42Å; V195-C216 HydrophobicContact CB-CB 4.3Å; V195-C216 HydrophobicContact CG1-CB 3.45Å; V195-C216 VanDerWaalsContact CG1-CB 3.45Å; V195-C216 HydrophobicContact CG2-CB 3.92Å; V195-L217 HydrophobicContact CB-CD2 4.21Å; V195-L217 HydrophobicContact CB-CG 4.23Å; V195-L217 HydrophobicContact CG1-CG 4.21Å; V195-L217 HydrophobicContact CG2-CD2 3.84Å; V195-L217 HydrophobicContact CG2-CG 3.93Å; V195-W220 HydrophobicContact CG2-CB 4.02Å; V195-W220 HydrophobicContact CG2-CG 4.5Å
196H98.8Very high97.5Very high28 Ų2832 Ų3213%0.1318%0.181CC..Hα-helixtrans-57.5-41.1174.2177.461.1000111.4R192 I199 S200 Y213 W306R192-H196 VanDerWaalsContact O-CB 3.23Å; R192-H196 WeakPolarHBondContact O-CB 3.37Å; R192-H196 PolarHBondContact O-N 2.84Å; H196-I199 PolarHBondContact O-N 2.67Å; H196-S200 VanDerWaalsContact O-CB 3.28Å; H196-S200 WeakPolarHBondContact O-CB 3.3Å; H196-S200 PolarHBondContact O-N 2.94Å; H196-S200 PolarHBondContact O-OG 2.98Å; H196-Y213 HydrophobicContact CB-CE1 4.19Å; H196-Y213 PolarHBondContact ND1-OH 3.5Å; H196-W306 HydrophobicContact CB-CB 3.52Å
197S98.4Very high97.1Very high13 Ų1334.9 Ų34.99%0.09121%0.21CC..Hα-helixtrans-64.7-39.5178.3179.40000113.3R84 A193 S194 V195 R201R84-S197 PolarHBondContact NE-OG 3.02Å; R84-S197 PolarHBondContact NH2-OG 2.93Å; A193-S197 WeakPolarHBondContact O-CB 3.4Å; A193-S197 PolarHBondContact O-N 3.42Å; S194-S197 PolarHBondContact O-N 3.24Å; V195-S197 PolarHBondContact O-N 3.36Å; S197-R201 WeakPolarHBondContact O-CB 3.43Å; S197-R201 PolarHBondContact O-N 3.02Å
198M97.8Very high97Very high0 Ų036.3 Ų36.30%022%0.216CC..Hα-helixtrans-72.4-38179.164.3-176.773.700111.8V82 R84 S194 V195 K202 V203 I205 F208 L210 C216V82-M198 HydrophobicContact CG1-CE 4.47Å; R84-M198 HydrophobicContact CG-CB 3.96Å; S194-M198 PolarHBondContact O-N 3.01Å; V195-M198 HydrophobicContact CG2-CE 4.17Å; V195-M198 HydrophobicContact CG2-SD 4.49Å; V195-M198 WeakPolarHBondContact O-CG 3.19Å; V195-M198 PolarHBondContact O-N 3.15Å; M198-K202 CarbonylContact O-C 3.51Å; M198-K202 WeakPolarHBondContact O-CA 3.28Å; M198-K202 PolarHBondContact O-N 3.34Å; M198-V203 HydrophobicContact CB-CB 4.35Å; M198-V203 PolarHBondContact O-N 2.79Å; M198-I205 HydrophobicContact CB-CD1 4.44Å; M198-I205 HydrophobicContact CE-CD1 3.93Å; M198-I205 HydrophobicContact SD-CD1 3.97Å; M198-F208 HydrophobicContact CE-CD1 4.43Å; M198-F208 HydrophobicContact CE-CE1 4.24Å; M198-F208 HydrophobicContact SD-CD1 3.67Å; M198-F208 HydrophobicContact SD-CE1 4.07Å; M198-L210 HydrophobicContact CB-CD2 4.39Å; M198-L210 HydrophobicContact CG-CD2 4.16Å; M198-L210 HydrophobicContact SD-CD2 4.48Å; M198-C216 HydrophobicContact SD-CB 4.18Å
199I98.4Very high97Very high28 Ų2840.5 Ų40.514%0.14424%0.239CC..Hα-helixtrans-69.2-56.7179.2-67.9175.3000110.4V195 H196 R201 K202 L210 Y213 C216V195-I199 HydrophobicContact CG1-CD1 3.67Å; V195-I199 HydrophobicContact CG1-CG1 4.37Å; V195-I199 WeakPolarHBondContact O-CG1 3.42Å; V195-I199 PolarHBondContact O-N 2.75Å; H196-I199 PolarHBondContact O-N 2.67Å; I199-R201 VanDerWaalsContact C-N 3.26Å; I199-R201 PolarHBondContact O-N 3.14Å; I199-K202 PolarHBondContact O-N 2.89Å; I199-L210 HydrophobicContact CG1-CD2 4.49Å; I199-Y213 HydrophobicContact CD1-CD1 3.78Å; I199-Y213 HydrophobicContact CD1-CD2 3.65Å; I199-Y213 HydrophobicContact CD1-CE1 3.9Å; I199-Y213 HydrophobicContact CD1-CE2 3.79Å; I199-Y213 HydrophobicContact CD1-CG 3.65Å; I199-Y213 HydrophobicContact CG2-CE2 4.1Å; I199-C216 HydrophobicContact CD1-CB 4.31Å
200S97.6Very high96.9Very high67 Ų6741.6 Ų41.647%0.46925%0.246SC..Hα-helixtrans-60.2-35.3-176.457.60000113.1H196H196-S200 VanDerWaalsContact O-CB 3.28Å; H196-S200 WeakPolarHBondContact O-CB 3.3Å; H196-S200 PolarHBondContact O-N 2.94Å; H196-S200 PolarHBondContact O-OG 2.98Å
201R96.3Very high96.8Very high91 Ų9145.1 Ų45.134%0.34328%0.282SS..THydrogen-bonded Turntrans-92.61.5177.4-64.1-175.7170.3-1015.3113.2S197 I199 V203 R289 D292S197-R201 WeakPolarHBondContact O-CB 3.43Å; S197-R201 PolarHBondContact O-N 3.02Å; I199-R201 VanDerWaalsContact C-N 3.26Å; I199-R201 PolarHBondContact O-N 3.14Å; R201-V203 VanDerWaalsContact C-N 3.28Å; R201-V203 HydrophobicContact CB-CG2 3.87Å; R201-V203 PolarHBondContact O-N 3.29Å; R201-R289 VanDerWaalsContact O-CZ 3.29Å; R201-R289 PolarHBondContact O-NH1 2.65Å; R201-R289 VanDerWaalsContact O-NH1 3.14Å; R201-R289 PolarHBondContact O-NH2 3.23Å; R201-D292 IonicContact CZ-OD2 3.96Å; R201-D292 IonicContact NH1-OD1 2.74Å; R201-D292 IonicContact NH1-OD2 3.39Å; R201-D292 PolarHBondContact NH1-OD2 2.85Å; R201-D292 IonicContact NH2-OD2 3.86Å
202K96.7Very high96.8Very high162 Ų16246.9 Ų46.970%0.70429%0.294SS*.THydrogen-bonded Turntrans50.747.5-176.8-56.5178.7179.2-1790112.1M198 I199 T204 R289M198-K202 CarbonylContact O-C 3.51Å; M198-K202 WeakPolarHBondContact O-CA 3.28Å; M198-K202 PolarHBondContact O-N 3.34Å; I199-K202 PolarHBondContact O-N 2.89Å; K202-T204 PolarHBondContact O-N 2.86Å; K202-R289 PolarHBondContact O-NH1 3.43Å
203V95.3Very high96.8Very high16 Ų1648.5 Ų48.510%0.09730%0.3CS..  trans-86.3102.2176.9-178.60000107.8M198 R201 I205 R289M198-V203 HydrophobicContact CB-CB 4.35Å; M198-V203 PolarHBondContact O-N 2.79Å; R201-V203 VanDerWaalsContact C-N 3.28Å; R201-V203 HydrophobicContact CB-CG2 3.87Å; R201-V203 PolarHBondContact O-N 3.29Å; V203-I205 PolarHBondContact O-N 3.05Å; V203-R289 HydrophobicContact CG1-CG 4.3Å; V203-R289 HydrophobicContact CG2-CB 3.95Å; V203-R289 HydrophobicContact CG2-CG 4.08Å
204T94.6Very high96.8Very high124 Ų12452.1 Ų52.176%0.76131%0.313SS*.  trans-69.5124.7-177.1550000111.2K202 L210K202-T204 PolarHBondContact O-N 2.86Å; T204-L210 HydrophobicContact CG2-CD1 4.33Å
205I93.9Very high96.8Very high17 Ų1754 Ų549%0.08732%0.323CS..  trans-122.1127.4173.7-57.8171.5000106.8P83 F167 M198 V203 G207 F208P83-I205 HydrophobicContact CB-CD1 3.77Å; P83-I205 HydrophobicContact CB-CG1 4.43Å; P83-I205 HydrophobicContact CG-CD1 3.86Å; P83-I205 HydrophobicContact CG-CG1 4.34Å; F167-I205 HydrophobicContact CE2-CG2 3.51Å; F167-I205 HydrophobicContact CZ-CG2 3.94Å; M198-I205 HydrophobicContact CB-CD1 4.44Å; M198-I205 HydrophobicContact CE-CD1 3.93Å; M198-I205 HydrophobicContact SD-CD1 3.97Å; V203-I205 PolarHBondContact O-N 3.05Å; I205-G207 PolarHBondContact O-N 2.85Å; I205-F208 HydrophobicContact CB-CB 4.2Å; I205-F208 HydrophobicContact CB-CD2 3.81Å; I205-F208 HydrophobicContact CB-CE2 4.42Å; I205-F208 HydrophobicContact CB-CG 4.06Å; I205-F208 HydrophobicContact CG2-CD2 3.48Å; I205-F208 VanDerWaalsContact CG2-CD2 3.48Å; I205-F208 HydrophobicContact CG2-CE2 3.7Å; I205-F208 HydrophobicContact CG2-CG 4.22Å; I205-F208 PolarHBondContact O-N 3.34Å
206A90.9Very high96.8Very high104 Ų10454 Ų5486%0.8632%0.323SS*.THydrogen-bonded Turntrans-54.4125.4-177.100000110.7
207G91.4Very high96.8Very high60 Ų6052.7 Ų52.762%0.61932%0.317SS*.THydrogen-bonded Turntrans84.6-4.9-178.600000115.4I205 K219I205-G207 PolarHBondContact O-N 2.85Å; G207-K219 WeakPolarHBondContact O-CD 3.4Å; G207-K219 WeakPolarHBondContact O-CE 3.28Å; G207-K219 PolarHBondContact O-NZ 3.28Å
208F97Very high96.8Very high30 Ų3053.9 Ų53.913%0.13232%0.324CS..  trans-93130.6174.8-76.2-118.2000110.9F167 M198 I205 L210 C216 K219F167-F208 HydrophobicContact CZ-CE2 4.38Å; M198-F208 HydrophobicContact CE-CD1 4.43Å; M198-F208 HydrophobicContact CE-CE1 4.24Å; M198-F208 HydrophobicContact SD-CD1 3.67Å; M198-F208 HydrophobicContact SD-CE1 4.07Å; I205-F208 HydrophobicContact CB-CB 4.2Å; I205-F208 HydrophobicContact CB-CD2 3.81Å; I205-F208 HydrophobicContact CB-CE2 4.42Å; I205-F208 HydrophobicContact CB-CG 4.06Å; I205-F208 HydrophobicContact CG2-CD2 3.48Å; I205-F208 VanDerWaalsContact CG2-CD2 3.48Å; I205-F208 HydrophobicContact CG2-CE2 3.7Å; I205-F208 HydrophobicContact CG2-CG 4.22Å; I205-F208 PolarHBondContact O-N 3.34Å; F208-L210 PolarHBondContact O-N 2.97Å; F208-C216 HydrophobicContact CD1-CB 4.23Å; F208-C216 WeakPolarHBondContact CE1-O 3.43Å; F208-K219 HydrophobicContact CD1-CB 3.86Å; F208-K219 HydrophobicContact CD1-CD 4.49Å; F208-K219 HydrophobicContact CD2-CB 4.2Å; F208-K219 HydrophobicContact CD2-CD 4.26Å; F208-K219 HydrophobicContact CE1-CB 3.46Å; F208-K219 VanDerWaalsContact CE1-CB 3.46Å; F208-K219 HydrophobicContact CE2-CB 3.83Å; F208-K219 HydrophobicContact CG-CB 4.21Å; F208-K219 HydrophobicContact CG-CD 4.19Å; F208-K219 HydrophobicContact CZ-CB 3.45Å; F208-K219 VanDerWaalsContact CZ-CB 3.45Å
209D97.1Very high96.8Very high87 Ų8756.5 Ų56.547%0.46534%0.335SS..  trans-88.4103.9171.6176.915.7000110.5G211 S212 D215 C216D209-G211 PolarHBondContact O-N 3.4Å; D209-G211 PolarHBondContact OD1-N 3.4Å; D209-S212 PolarHBondContact O-N 3.01Å; D209-S212 VanDerWaalsContact O-N 3.09Å; D209-D215 HydrophobicContact CB-CB 4.22Å; D209-D215 WeakPolarHBondContact CB-OD2 3.11Å; D209-D215 PolarHBondContact N-OD2 2.84Å; D209-C216 PolarHBondContact O-SG 3Å
210L97.1Very high96.9Very high42 Ų4255.2 Ų55.222%0.2233%0.328CS..THydrogen-bonded Turntrans-69.2-10.2-179.8-57.6-174.5000113.4M198 I199 T204 F208 S212M198-L210 HydrophobicContact CB-CD2 4.39Å; M198-L210 HydrophobicContact CG-CD2 4.16Å; M198-L210 HydrophobicContact SD-CD2 4.48Å; I199-L210 HydrophobicContact CG1-CD2 4.49Å; T204-L210 HydrophobicContact CG2-CD1 4.33Å; F208-L210 PolarHBondContact O-N 2.97Å; L210-S212 VanDerWaalsContact C-N 3.28Å
211G97.6Very high96.9Very high73 Ų7352.6 Ų52.675%0.75331%0.309SS*.THydrogen-bonded Turntrans-77.2-12.1170.900000113.7D209D209-G211 PolarHBondContact O-N 3.4Å; D209-G211 PolarHBondContact OD1-N 3.4Å
212S98.5Very high97Very high37 Ų3755.9 Ų55.926%0.25932%0.322SS..  trans-132.2111.5-172.1177.70000112.6D209 L210 R214 D215 C216D209-S212 PolarHBondContact O-N 3.01Å; D209-S212 VanDerWaalsContact O-N 3.09Å; L210-S212 VanDerWaalsContact C-N 3.28Å; S212-R214 VanDerWaalsContact C-N 3.26Å; S212-R214 PolarHBondContact O-N 3.02Å; S212-D215 PolarHBondContact O-N 3.37Å; S212-D215 PolarHBondContact OG-N 2.98Å; S212-D215 VanDerWaalsContact OG-N 3.15Å; S212-C216 WeakPolarHBondContact O-CB 3.25Å; S212-C216 PolarHBondContact O-N 3.21Å
213Y98.7Very high97.1Very high35 Ų3548.6 Ų48.614%0.13729%0.292CS..Hα-helixtrans-58.4-39.6171.2-86.6-93.9000111.9V195 H196 I199 C216 L217 K309 I310 P311V195-Y213 HydrophobicContact CG1-CD1 3.68Å; V195-Y213 HydrophobicContact CG1-CE1 4.17Å; V195-Y213 HydrophobicContact CG1-CG 4.42Å; H196-Y213 HydrophobicContact CB-CE1 4.19Å; H196-Y213 PolarHBondContact ND1-OH 3.5Å; I199-Y213 HydrophobicContact CD1-CD1 3.78Å; I199-Y213 HydrophobicContact CD1-CD2 3.65Å; I199-Y213 HydrophobicContact CD1-CE1 3.9Å; I199-Y213 HydrophobicContact CD1-CE2 3.79Å; I199-Y213 HydrophobicContact CD1-CG 3.65Å; I199-Y213 HydrophobicContact CG2-CE2 4.1Å; Y213-C216 PolarHBondContact O-N 3.16Å; Y213-L217 VanDerWaalsContact O-CB 3.31Å; Y213-L217 WeakPolarHBondContact O-CB 3.36Å; Y213-L217 WeakPolarHBondContact O-CG 3.32Å; Y213-L217 PolarHBondContact O-N 3.22Å; Y213-K309 PolarHBondContact OH-O 3.47Å; Y213-I310 HydrophobicContact CD1-CB 4.49Å; Y213-I310 HydrophobicContact CD1-CG1 3.95Å; Y213-I310 HydrophobicContact CD1-CG2 4.38Å; Y213-I310 HydrophobicContact CE1-CG1 3.91Å; Y213-P311 HydrophobicContact CD2-CG 4.17Å
214R98.8Very high97.3Very high80 Ų8047.9 Ų47.930%0.30229%0.287SS..Hα-helixtrans-59.7-51178.4-176.6174.9-65.3-96.6-0.3110.9S212 L217 T218 D313 V314 D317 I321S212-R214 VanDerWaalsContact C-N 3.26Å; S212-R214 PolarHBondContact O-N 3.02Å; R214-L217 PolarHBondContact O-N 3.29Å; R214-T218 PolarHBondContact O-N 3.4Å; R214-T218 PolarHBondContact O-OG1 2.86Å; R214-T218 VanDerWaalsContact O-OG1 3.09Å; R214-D313 IonicContact CZ-OD2 3.77Å; R214-D313 IonicContact NE-OD2 3.8Å; R214-D313 PolarHBondContact NH2-O 3.04Å; R214-D313 IonicContact NH2-OD2 2.87Å; R214-D313 PolarHBondContact NH2-OD2 3.44Å; R214-V314 HydrophobicContact CB-CG2 4Å; R214-D317 IonicContact CZ-OD2 3.3Å; R214-D317 VanDerWaalsContact CZ-OD2 3.3Å; R214-D317 IonicContact NH1-OD2 2.92Å; R214-D317 PolarHBondContact NH1-OD2 2.97Å; R214-D317 IonicContact NH2-OD2 2.76Å; R214-D317 PolarHBondContact NH2-OD2 3.21Å; R214-I321 HydrophobicContact CG-CD1 3.97Å; R214-I321 HydrophobicContact CG-CG1 4.33Å
215D98.8Very high97.5Very high40 Ų4045.5 Ų45.521%0.21427%0.268CS..Hα-helixtrans-61.3-48179.1-179.273.2000111.8D209 S212 L217 T218 K219D209-D215 HydrophobicContact CB-CB 4.22Å; D209-D215 WeakPolarHBondContact CB-OD2 3.11Å; D209-D215 PolarHBondContact N-OD2 2.84Å; S212-D215 PolarHBondContact O-N 3.37Å; S212-D215 PolarHBondContact OG-N 2.98Å; S212-D215 VanDerWaalsContact OG-N 3.15Å; D215-L217 VanDerWaalsContact C-N 3.34Å; D215-L217 PolarHBondContact O-N 3.18Å; D215-T218 PolarHBondContact O-N 3.35Å; D215-K219 WeakPolarHBondContact O-CB 3.5Å; D215-K219 WeakPolarHBondContact O-CG 3.34Å; D215-K219 PolarHBondContact O-N 2.74Å; D215-K219 WeakPolarHBondContact OD1-CE 3.39Å; D215-K219 IonicContact OD1-NZ 2.68Å; D215-K219 PolarHBondContact OD1-NZ 3.38Å; D215-K219 WeakPolarHBondContact OD2-CD 3.36Å; D215-K219 WeakPolarHBondContact OD2-CE 3.38Å; D215-K219 IonicContact OD2-NZ 2.69Å; D215-K219 PolarHBondContact OD2-NZ 3.32Å
216C98.8Very high97.7Very high0 Ų047.1 Ų47.10%028%0.278CS..Hα-helixtrans-61.1-39.9178.2-76.60000112.5V195 M198 I199 F208 D209 S212 Y213 W220V195-C216 HydrophobicContact CB-CB 4.3Å; V195-C216 HydrophobicContact CG1-CB 3.45Å; V195-C216 VanDerWaalsContact CG1-CB 3.45Å; V195-C216 HydrophobicContact CG2-CB 3.92Å; M198-C216 HydrophobicContact SD-CB 4.18Å; I199-C216 HydrophobicContact CD1-CB 4.31Å; F208-C216 HydrophobicContact CD1-CB 4.23Å; F208-C216 WeakPolarHBondContact CE1-O 3.43Å; D209-C216 PolarHBondContact O-SG 3Å; S212-C216 WeakPolarHBondContact O-CB 3.25Å; S212-C216 PolarHBondContact O-N 3.21Å; Y213-C216 PolarHBondContact O-N 3.16Å; C216-W220 VanDerWaalsContact O-CB 3.24Å; C216-W220 WeakPolarHBondContact O-CB 3.41Å; C216-W220 PolarHBondContact O-N 2.86Å
217L98.9Very high98.1Very high0 Ų042.1 Ų42.10%024%0.237CC..Hα-helixtrans-68.4-42.8176-80164.6000112.1R192 V195 Y213 R214 D215 K219 W220 N221 V314 M318 I321R192-L217 HydrophobicContact CG-CD2 4.38Å; V195-L217 HydrophobicContact CB-CD2 4.21Å; V195-L217 HydrophobicContact CB-CG 4.23Å; V195-L217 HydrophobicContact CG1-CG 4.21Å; V195-L217 HydrophobicContact CG2-CD2 3.84Å; V195-L217 HydrophobicContact CG2-CG 3.93Å; Y213-L217 VanDerWaalsContact O-CB 3.31Å; Y213-L217 WeakPolarHBondContact O-CB 3.36Å; Y213-L217 WeakPolarHBondContact O-CG 3.32Å; Y213-L217 PolarHBondContact O-N 3.22Å; R214-L217 PolarHBondContact O-N 3.29Å; D215-L217 VanDerWaalsContact C-N 3.34Å; D215-L217 PolarHBondContact O-N 3.18Å; L217-K219 VanDerWaalsContact C-N 3.3Å; L217-K219 PolarHBondContact O-N 3.2Å; L217-W220 PolarHBondContact O-N 2.92Å; L217-N221 WeakPolarHBondContact O-CB 3.35Å; L217-N221 PolarHBondContact O-N 3.41Å; L217-V314 HydrophobicContact CD1-CG1 3.47Å; L217-V314 VanDerWaalsContact CD1-CG1 3.47Å; L217-M318 HydrophobicContact CD1-CE 3.9Å; L217-M318 HydrophobicContact CD1-SD 3.85Å; L217-M318 HydrophobicContact CD2-SD 4.32Å; L217-I321 HydrophobicContact CB-CG2 3.49Å; L217-I321 VanDerWaalsContact CB-CG2 3.49Å; L217-I321 HydrophobicContact CD1-CG2 4.49Å
218T98.8Very high98.5Very high39 Ų3941.3 Ų41.324%0.23922%0.216CC..Hα-helixtrans-60.1-42.1175-62.90000111.4R214 D215 N221 R222R214-T218 PolarHBondContact O-N 3.4Å; R214-T218 PolarHBondContact O-OG1 2.86Å; R214-T218 VanDerWaalsContact O-OG1 3.09Å; D215-T218 PolarHBondContact O-N 3.35Å; T218-N221 WeakPolarHBondContact O-CB 3.2Å; T218-N221 PolarHBondContact O-N 3.12Å; T218-R222 WeakPolarHBondContact O-CG 3.36Å; T218-R222 PolarHBondContact O-N 2.68Å; T218-R222 VanDerWaalsContact O-N 3.07Å
219K98.7Very high98.5Very high54 Ų5442.3 Ų42.324%0.23523%0.225CC..Hα-helixtrans-74.5-36.3179.1-71.5172.6180153.10112.5G207 F208 D215 L217 N221 A223G207-K219 WeakPolarHBondContact O-CD 3.4Å; G207-K219 WeakPolarHBondContact O-CE 3.28Å; G207-K219 PolarHBondContact O-NZ 3.28Å; F208-K219 HydrophobicContact CD1-CB 3.86Å; F208-K219 HydrophobicContact CD1-CD 4.49Å; F208-K219 HydrophobicContact CD2-CB 4.2Å; F208-K219 HydrophobicContact CD2-CD 4.26Å; F208-K219 HydrophobicContact CE1-CB 3.46Å; F208-K219 VanDerWaalsContact CE1-CB 3.46Å; F208-K219 HydrophobicContact CE2-CB 3.83Å; F208-K219 HydrophobicContact CG-CB 4.21Å; F208-K219 HydrophobicContact CG-CD 4.19Å; F208-K219 HydrophobicContact CZ-CB 3.45Å; F208-K219 VanDerWaalsContact CZ-CB 3.45Å; D215-K219 WeakPolarHBondContact O-CB 3.5Å; D215-K219 WeakPolarHBondContact O-CG 3.34Å; D215-K219 PolarHBondContact O-N 2.74Å; D215-K219 WeakPolarHBondContact OD1-CE 3.39Å; D215-K219 IonicContact OD1-NZ 2.68Å; D215-K219 PolarHBondContact OD1-NZ 3.38Å; D215-K219 WeakPolarHBondContact OD2-CD 3.36Å; D215-K219 WeakPolarHBondContact OD2-CE 3.38Å; D215-K219 IonicContact OD2-NZ 2.69Å; D215-K219 PolarHBondContact OD2-NZ 3.32Å; L217-K219 VanDerWaalsContact C-N 3.3Å; L217-K219 PolarHBondContact O-N 3.2Å; K219-N221 VanDerWaalsContact C-N 3.31Å; K219-A223 VanDerWaalsContact O-CB 3.29Å; K219-A223 WeakPolarHBondContact O-CB 3.43Å; K219-A223 PolarHBondContact O-N 3.46Å
220W98.8Very high98.6Very high1 Ų139.5 Ų39.50%0.00421%0.208CC..Hα-helixtrans-55.8-49.1167.8169.494.1000110.2V195 C216 L217 R222 A223 I224 A322 M324 L325 L328V195-W220 HydrophobicContact CG2-CB 4.02Å; V195-W220 HydrophobicContact CG2-CG 4.5Å; C216-W220 VanDerWaalsContact O-CB 3.24Å; C216-W220 WeakPolarHBondContact O-CB 3.41Å; C216-W220 PolarHBondContact O-N 2.86Å; L217-W220 PolarHBondContact O-N 2.92Å; W220-R222 PolarHBondContact O-N 3.46Å; W220-A223 PolarHBondContact O-N 3.06Å; W220-I224 HydrophobicContact CD2-CG2 4.19Å; W220-I224 HydrophobicContact CE3-CG2 4.25Å; W220-I224 HydrophobicContact CH2-CG2 3.92Å; W220-I224 HydrophobicContact CZ2-CB 4.48Å; W220-I224 HydrophobicContact CZ2-CG2 3.87Å; W220-I224 HydrophobicContact CZ3-CG2 4.1Å; W220-I224 WeakPolarHBondContact O-CG2 3.32Å; W220-I224 PolarHBondContact O-N 2.91Å; W220-A322 HydrophobicContact CE3-CB 4.27Å; W220-A322 HydrophobicContact CZ3-CB 4.01Å; W220-M324 HydrophobicContact CH2-CB 4.1Å; W220-M324 HydrophobicContact CZ3-CB 4.03Å; W220-L325 HydrophobicContact CH2-CD2 3.78Å; W220-L325 HydrophobicContact CH2-CG 4.09Å; W220-L325 HydrophobicContact CZ2-CD2 4.49Å; W220-L325 HydrophobicContact CZ3-CD2 4.18Å; W220-L325 HydrophobicContact CZ3-CG 4.09Å; W220-L328 HydrophobicContact CH2-CD1 4.25Å; W220-L328 HydrophobicContact CZ2-CD1 4.38Å
221N98.9Very high98.7Very high12 Ų1237.7 Ų37.76%0.06420%0.199CC..Hα-helixtrans-58.4-51.1-178.3-176.285.5000111.3L217 T218 K219 A223 I224 E225 A322 P323 M324L217-N221 WeakPolarHBondContact O-CB 3.35Å; L217-N221 PolarHBondContact O-N 3.41Å; T218-N221 WeakPolarHBondContact O-CB 3.2Å; T218-N221 PolarHBondContact O-N 3.12Å; K219-N221 VanDerWaalsContact C-N 3.31Å; N221-A223 VanDerWaalsContact C-N 3.33Å; N221-A223 PolarHBondContact O-N 3.46Å; N221-I224 WeakPolarHBondContact O-CG2 3.45Å; N221-I224 PolarHBondContact O-N 2.96Å; N221-E225 WeakPolarHBondContact O-CB 3.48Å; N221-E225 PolarHBondContact O-N 3.16Å; N221-A322 HydrophobicContact CB-CB 4.46Å; N221-A322 VanDerWaalsContact OD1-C 3.29Å; N221-A322 WeakPolarHBondContact OD1-CA 3.27Å; N221-P323 VanDerWaalsContact OD1-CD 3.24Å; N221-P323 WeakPolarHBondContact OD1-CD 3.44Å; N221-M324 WeakPolarHBondContact OD1-CB 3.3Å; N221-M324 VanDerWaalsContact OD1-CG 3.26Å; N221-M324 WeakPolarHBondContact OD1-CG 3.43Å; N221-M324 PolarHBondContact OD1-N 3.5Å
222R98.8Very high98.7Very high160 Ų16038.5 Ų38.560%0.60419%0.186SC*.Hα-helixtrans-60.8-41.2178.1-70.9175178.51730.6112.6T218 W220 T226T218-R222 WeakPolarHBondContact O-CG 3.36Å; T218-R222 PolarHBondContact O-N 2.68Å; T218-R222 VanDerWaalsContact O-N 3.07Å; W220-R222 PolarHBondContact O-N 3.46Å; R222-T226 PolarHBondContact O-N 3.12Å; R222-T226 PolarHBondContact O-OG1 3.18Å
223A98.7Very high98.7Very high9 Ų942.8 Ų42.87%0.07420%0.202CC..Hα-helixtrans-67.1-49.6-179.700000111.3V82 F167 K219 W220 N221 T226 M227V82-A223 HydrophobicContact CG2-CB 3.99Å; F167-A223 HydrophobicContact CE1-CB 4.18Å; K219-A223 VanDerWaalsContact O-CB 3.29Å; K219-A223 WeakPolarHBondContact O-CB 3.43Å; K219-A223 PolarHBondContact O-N 3.46Å; W220-A223 PolarHBondContact O-N 3.06Å; N221-A223 VanDerWaalsContact C-N 3.33Å; N221-A223 PolarHBondContact O-N 3.46Å; A223-T226 PolarHBondContact O-N 3.05Å; A223-M227 HydrophobicContact CB-CE 4.22Å; A223-M227 WeakPolarHBondContact O-CE 3.33Å; A223-M227 WeakPolarHBondContact O-CG 3.28Å; A223-M227 PolarHBondContact O-N 2.03Å; A223-M227 VanDerWaalsContact O-N 3.14Å
224I98.8Very high98.5Very high1 Ų141.8 Ų41.81%0.00520%0.201CC..Hα-helixtrans-68.4-36-179.4-164.558.9000111.8V82 L186 I188 W220 N221 T226 M227 Y228 M324 L328V82-I224 HydrophobicContact CG2-CB 3.97Å; V82-I224 HydrophobicContact CG2-CD1 4.4Å; L186-I224 HydrophobicContact CD1-CD1 4.19Å; I188-I224 HydrophobicContact CG1-CD1 4.37Å; W220-I224 HydrophobicContact CD2-CG2 4.19Å; W220-I224 HydrophobicContact CE3-CG2 4.25Å; W220-I224 HydrophobicContact CH2-CG2 3.92Å; W220-I224 HydrophobicContact CZ2-CB 4.48Å; W220-I224 HydrophobicContact CZ2-CG2 3.87Å; W220-I224 HydrophobicContact CZ3-CG2 4.1Å; W220-I224 WeakPolarHBondContact O-CG2 3.32Å; W220-I224 PolarHBondContact O-N 2.91Å; N221-I224 WeakPolarHBondContact O-CG2 3.45Å; N221-I224 PolarHBondContact O-N 2.96Å; I224-T226 VanDerWaalsContact C-N 3.35Å; I224-T226 PolarHBondContact O-N 2.95Å; I224-M227 HydrophobicContact CD1-CE 4.32Å; I224-M227 PolarHBondContact O-N 3.02Å; I224-Y228 WeakPolarHBondContact O-CB 3.25Å; I224-Y228 PolarHBondContact O-N 2.91Å; I224-M324 HydrophobicContact CG2-CB 3.8Å; I224-M324 HydrophobicContact CG2-CE 4.44Å; I224-M324 HydrophobicContact CG2-CG 3.92Å; I224-L328 HydrophobicContact CG1-CD1 3.84Å; I224-L328 HydrophobicContact CG2-CD1 4.28Å
225E98.9Very high98.2Very high75 Ų7542.9 Ų42.935%0.3522%0.216SC..Hα-helixtrans-57-48.6173.3-179.7170.3-132.200111.2N221 M227 Y228 T229 M324 R327N221-E225 WeakPolarHBondContact O-CB 3.48Å; N221-E225 PolarHBondContact O-N 3.16Å; E225-M227 PolarHBondContact O-N 2.99Å; E225-Y228 PolarHBondContact O-N 3.26Å; E225-T229 WeakPolarHBondContact O-CB 3.49Å; E225-T229 PolarHBondContact O-N 3.08Å; E225-T229 PolarHBondContact O-OG1 3.44Å; E225-M324 HydrophobicContact CB-CG 3.82Å; E225-M324 HydrophobicContact CB-SD 3.85Å; E225-M324 HydrophobicContact CG-SD 4.06Å; E225-R327 IonicContact OE1-NH1 3.57Å
226T98.7Very high98Very high50 Ų5047.6 Ų47.631%0.30724%0.241SC..Hα-helixtrans-59.1-47.8177.8-57.90000111.7R222 A223 I224 Q230R222-T226 PolarHBondContact O-N 3.12Å; R222-T226 PolarHBondContact O-OG1 3.18Å; A223-T226 PolarHBondContact O-N 3.05Å; I224-T226 VanDerWaalsContact C-N 3.35Å; I224-T226 PolarHBondContact O-N 2.95Å; T226-Q230 WeakPolarHBondContact O-CG 3.39Å; T226-Q230 PolarHBondContact O-N 2.92Å
227M98.8Very high98Very high0 Ų050.9 Ų50.90%026%0.255CS..Hα-helixtrans-70.8-38.9-176.9-67.2-176-76.500112.1G81 V82 F167 L169 K170 L186 A223 I224 E225 C231G81-M227 VanDerWaalsContact C-CE 3.49Å; V82-M227 HydrophobicContact CB-CE 4.41Å; V82-M227 HydrophobicContact CG2-CE 3.53Å; F167-M227 HydrophobicContact CD1-CE 4.32Å; F167-M227 HydrophobicContact CD1-SD 4.39Å; F167-M227 HydrophobicContact CE1-CE 4.34Å; L169-M227 HydrophobicContact CB-CG 4.22Å; L169-M227 HydrophobicContact CB-SD 3.97Å; K170-M227 HydrophobicContact CG-CG 4.08Å; K170-M227 HydrophobicContact CG-SD 4.27Å; L186-M227 HydrophobicContact CD1-CB 3.84Å; L186-M227 HydrophobicContact CD1-SD 4.44Å; L186-M227 HydrophobicContact CD2-CB 4.38Å; A223-M227 HydrophobicContact CB-CE 4.22Å; A223-M227 WeakPolarHBondContact O-CE 3.33Å; A223-M227 WeakPolarHBondContact O-CG 3.28Å; A223-M227 PolarHBondContact O-N 2.03Å; A223-M227 VanDerWaalsContact O-N 3.14Å; I224-M227 HydrophobicContact CD1-CE 4.32Å; I224-M227 PolarHBondContact O-N 3.02Å; E225-M227 PolarHBondContact O-N 2.99Å; M227-C231 VanDerWaalsContact O-CB 3.3Å; M227-C231 WeakPolarHBondContact O-CB 3.27Å; M227-C231 PolarHBondContact O-N 3Å
228Y98.8Very high98Very high42 Ų4251.6 Ų51.617%0.16526%0.26CS..Hα-helixtrans-68.4-44179.8-173.3-112.5000111.5L186 I188 I224 E225 Q230 C231 L232 P240 M324 L328L186-Y228 HydrophobicContact CD2-CD2 4.08Å; I188-Y228 HydrophobicContact CD1-CD2 3.93Å; I188-Y228 HydrophobicContact CD1-CE2 4.07Å; I224-Y228 WeakPolarHBondContact O-CB 3.25Å; I224-Y228 PolarHBondContact O-N 2.91Å; E225-Y228 PolarHBondContact O-N 3.26Å; Y228-Q230 PolarHBondContact O-N 3.5Å; Y228-C231 WeakPolarHBondContact O-CB 3.13Å; Y228-C231 PolarHBondContact O-N 3.28Å; Y228-C231 VanDerWaalsContact O-N 3.16Å; Y228-L232 HydrophobicContact CD1-CD1 3.97Å; Y228-L232 HydrophobicContact CD1-CG 4.39Å; Y228-L232 HydrophobicContact CE1-CD1 3.53Å; Y228-L232 HydrophobicContact CE1-CG 4.11Å; Y228-L232 HydrophobicContact CE2-CD2 4.31Å; Y228-L232 HydrophobicContact CE2-CG 4.42Å; Y228-L232 WeakPolarHBondContact O-CG 3.2Å; Y228-L232 PolarHBondContact O-N 2.95Å; Y228-P240 HydrophobicContact CE2-CB 4.35Å; Y228-P240 HydrophobicContact CE2-CG 4.34Å; Y228-M324 HydrophobicContact CD1-CE 3.73Å; Y228-M324 HydrophobicContact CG-CE 4.09Å; Y228-L328 HydrophobicContact CD1-CD2 4.11Å; Y228-L328 HydrophobicContact CD2-CD2 3.74Å; Y228-L328 HydrophobicContact CE1-CD2 4.04Å; Y228-L328 HydrophobicContact CE2-CD2 3.69Å; Y228-L328 HydrophobicContact CG-CD2 3.95Å
229T98.7Very high98Very high52 Ų5251.1 Ų51.132%0.31926%0.256SS..Hα-helixtrans-57.5-49.3174.3-62.10000111.3E225 C231 L232 E233E225-T229 WeakPolarHBondContact O-CB 3.49Å; E225-T229 PolarHBondContact O-N 3.08Å; E225-T229 PolarHBondContact O-OG1 3.44Å; T229-C231 VanDerWaalsContact C-N 3.29Å; T229-C231 PolarHBondContact O-N 3.31Å; T229-L232 PolarHBondContact O-N 2.95Å; T229-E233 WeakPolarHBondContact O-CG 3.49Å; T229-E233 PolarHBondContact O-N 2.93Å
230Q98.7Very high98Very high27 Ų2750.3 Ų50.313%0.12626%0.256CS..Hα-helixtrans-63.8-34.3177.3-68.7-177.240.100112.7K170 L172 S173 T226 Y228 E233 A234K170-Q230 PolarHBondContact O-NE2 3.49Å; K170-Q230 PolarHBondContact O-OE1 3.21Å; L172-Q230 HydrophobicContact CB-CB 4.02Å; L172-Q230 HydrophobicContact CD2-CB 4.38Å; S173-Q230 WeakPolarHBondContact OG-CB 3.44Å; S173-Q230 VanDerWaalsContact OG-CG 3.28Å; S173-Q230 WeakPolarHBondContact OG-CG 3.25Å; S173-Q230 PolarHBondContact OG-OE1 3.31Å; T226-Q230 WeakPolarHBondContact O-CG 3.39Å; T226-Q230 PolarHBondContact O-N 2.92Å; Y228-Q230 PolarHBondContact O-N 3.5Å; Q230-E233 PolarHBondContact O-N 3.29Å; Q230-A234 WeakPolarHBondContact O-CB 3.43Å; Q230-A234 PolarHBondContact O-N 3.31Å
231C98.6Very high98Very high4 Ų450.3 Ų50.33%0.02726%0.256CS..Hα-helixtrans-65.1-42.3175.9-174.10000111.7L172 L186 M227 Y228 T229 E233 A234 C238L172-C231 HydrophobicContact CD1-CB 4.07Å; L186-C231 HydrophobicContact CB-CB 4.48Å; L186-C231 HydrophobicContact CD2-CB 3.73Å; M227-C231 VanDerWaalsContact O-CB 3.3Å; M227-C231 WeakPolarHBondContact O-CB 3.27Å; M227-C231 PolarHBondContact O-N 3Å; Y228-C231 WeakPolarHBondContact O-CB 3.13Å; Y228-C231 PolarHBondContact O-N 3.28Å; Y228-C231 VanDerWaalsContact O-N 3.16Å; T229-C231 VanDerWaalsContact C-N 3.29Å; T229-C231 PolarHBondContact O-N 3.31Å; C231-E233 VanDerWaalsContact C-N 3.33Å; C231-E233 PolarHBondContact O-N 3.04Å; C231-A234 PolarHBondContact O-N 3.01Å; C231-C238 VanDerWaalsContact CA-SG 3.55Å; C231-C238 HydrophobicContact CB-CB 3.89Å; C231-C238 WeakPolarHBondContact CB-SG 3.36Å; C231-C238 WeakPolarHBondContact O-CB 3.45Å; C231-C238 WeakPolarHBondContact SG-CB 3.28Å; C231-C238 CovalentContact SG-SG 2.03Å; C231-C238 PolarHBondContact SG-SG 2.96Å
232L97.9Very high98Very high91 Ų9152 Ų5248%0.47626%0.264SS..Hα-helixtrans-66.5-34175.9-67.3-178.6000112.7Y228 T229 A234Y228-L232 HydrophobicContact CD1-CD1 3.97Å; Y228-L232 HydrophobicContact CD1-CG 4.39Å; Y228-L232 HydrophobicContact CE1-CD1 3.53Å; Y228-L232 HydrophobicContact CE1-CG 4.11Å; Y228-L232 HydrophobicContact CE2-CD2 4.31Å; Y228-L232 HydrophobicContact CE2-CG 4.42Å; Y228-L232 WeakPolarHBondContact O-CG 3.2Å; Y228-L232 PolarHBondContact O-N 2.95Å; T229-L232 PolarHBondContact O-N 2.95Å; L232-A234 VanDerWaalsContact C-N 3.32Å
233E97.8Very high98Very high127 Ų12745.2 Ų45.259%0.59324%0.239SC*.Hα-helixtrans-70.1-28.8175-70.2169.6177.500112.5T229 Q230 C231 V235T229-E233 WeakPolarHBondContact O-CG 3.49Å; T229-E233 PolarHBondContact O-N 2.93Å; Q230-E233 PolarHBondContact O-N 3.29Å; C231-E233 VanDerWaalsContact C-N 3.33Å; C231-E233 PolarHBondContact O-N 3.04Å; E233-V235 VanDerWaalsContact C-N 3.26Å; E233-V235 PolarHBondContact O-N 3.22Å; E233-V235 VanDerWaalsContact O-N 3.08Å
234A96.1Very high98Very high13 Ų1344.9 Ų44.911%0.10724%0.235CC..SBendtrans-86.760.2178.900000112L172 Q230 C231 L232 D236 K237 C238L172-A234 HydrophobicContact CD2-CB 3.45Å; L172-A234 VanDerWaalsContact CD2-CB 3.45Å; Q230-A234 WeakPolarHBondContact O-CB 3.43Å; Q230-A234 PolarHBondContact O-N 3.31Å; C231-A234 PolarHBondContact O-N 3.01Å; L232-A234 VanDerWaalsContact C-N 3.32Å; A234-D236 PolarHBondContact O-N 3.12Å; A234-K237 HydrophobicContact CB-CB 4.31Å; A234-K237 PolarHBondContact O-N 2.86Å; A234-C238 HydrophobicContact CB-CB 4.16Å; A234-C238 PolarHBondContact O-N 3.28Å
235V92.1Very high98Very high103 Ų10347.4 Ų47.462%0.62425%0.247SC*.THydrogen-bonded Turntrans-50.5135.6179.4-174.20000110.7E233 K237E233-V235 VanDerWaalsContact C-N 3.26Å; E233-V235 PolarHBondContact O-N 3.22Å; E233-V235 VanDerWaalsContact O-N 3.08Å; V235-K237 PolarHBondContact O-N 2.86Å
236D94.3Very high98Very high139 Ų13943.9 Ų43.974%0.74323%0.231SC*.THydrogen-bonded Turntrans59.6-1.2-176.4-54.8-37.3000116.1A234A234-D236 PolarHBondContact O-N 3.12Å
237K98.1Very high98Very high69 Ų6941.5 Ų41.530%0.322%0.216SC..THydrogen-bonded Turntrans-111.1-19.2178.7-62.6-168.9-173.5-1690113.4P180 K183 F184 A234 V235 F260P180-K237 PolarHBondContact O-NZ 3.4Å; K183-K237 CarbonylContact C-O 3.43Å; K183-K237 WeakPolarHBondContact CA-O 3.4Å; F184-K237 HydrophobicContact CD2-CB 4.31Å; F184-K237 WeakPolarHBondContact CD2-O 3.34Å; F184-K237 PolarHBondContact N-O 3.08Å; A234-K237 HydrophobicContact CB-CB 4.31Å; A234-K237 PolarHBondContact O-N 2.86Å; V235-K237 PolarHBondContact O-N 2.86Å; K237-F260 WeakPolarHBondContact O-CZ 3.49Å
238C98.8Very high98Very high15 Ų1541.6 Ų41.610%0.10122%0.217CC..EExtended strand (participates in β ladder)trans-120.6132.2177.4-170.20000112.9L172 F184 C231 A234L172-C238 HydrophobicContact CD1-CB 4.26Å; F184-C238 HydrophobicContact CB-CB 4.01Å; F184-C238 CarbonylContact O-C 3.54Å; F184-C238 WeakPolarHBondContact O-CA 3.42Å; C231-C238 VanDerWaalsContact CA-SG 3.55Å; C231-C238 HydrophobicContact CB-CB 3.89Å; C231-C238 WeakPolarHBondContact CB-SG 3.36Å; C231-C238 WeakPolarHBondContact O-CB 3.45Å; C231-C238 WeakPolarHBondContact SG-CB 3.28Å; C231-C238 CovalentContact SG-SG 2.03Å; C231-C238 PolarHBondContact SG-SG 2.96Å; A234-C238 HydrophobicContact CB-CB 4.16Å; A234-C238 PolarHBondContact O-N 3.28Å
239L98.8Very high98Very high29 Ų2941.4 Ų41.415%0.15222%0.217CC..EExtended strand (participates in β ladder)trans-110.6109.5172.3-178.464.3000109.9F184 L186 M241 L257 F260F184-L239 PolarHBondContact O-N 3.18Å; L186-L239 PolarHBondContact N-O 2.88Å; L239-M241 HydrophobicContact CD2-CG 3.89Å; L239-M241 HydrophobicContact CD2-SD 3.8Å; L239-M241 HydrophobicContact CG-CG 3.79Å; L239-M241 HydrophobicContact CG-SD 4.37Å; L239-L257 HydrophobicContact CD2-CB 4.47Å; L239-L257 HydrophobicContact CD2-CD1 3.89Å; L239-F260 HydrophobicContact CB-CD1 3.68Å; L239-F260 HydrophobicContact CB-CD2 4.27Å; L239-F260 HydrophobicContact CB-CE1 3.57Å; L239-F260 HydrophobicContact CB-CE2 4.18Å; L239-F260 HydrophobicContact CB-CG 4.02Å; L239-F260 HydrophobicContact CB-CZ 3.84Å; L239-F260 HydrophobicContact CD2-CB 4.02Å; L239-F260 HydrophobicContact CD2-CD1 3.85Å; L239-F260 HydrophobicContact CD2-CG 3.97Å; L239-F260 HydrophobicContact CG-CD1 4.38Å; L239-F260 HydrophobicContact CG-CG 4.48Å
240P98.6Very high98Very high37 Ų3739.4 Ų39.424%0.2421%0.205CC..EExtended strand (participates in β ladder)trans-67.9128.5165.9-11.925.5000110.3I188 Y228I188-P240 HydrophobicContact CD1-CB 3.67Å; Y228-P240 HydrophobicContact CE2-CB 4.35Å; Y228-P240 HydrophobicContact CE2-CG 4.34Å
241M98.4Very high98Very high1 Ų142.2 Ų42.21%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-129.6125.4178.7-66.1-140.6-51.900112.3M90 V185 L186 M187 I188 L239 W253 L257M90-M241 HydrophobicContact CE-CE 4.2Å; M90-M241 HydrophobicContact CG-CE 4.29Å; M90-M241 HydrophobicContact SD-CE 3.02Å; M90-M241 WeakPolarHBondContact SD-CE 3.39Å; V185-M241 HydrophobicContact CG1-CE 3.74Å; V185-M241 HydrophobicContact CG1-CG 4.19Å; L186-M241 PolarHBondContact O-N 3.14Å; M187-M241 HydrophobicContact SD-CB 4.09Å; M187-M241 HydrophobicContact SD-CE 4.1Å; I188-M241 PolarHBondContact N-O 3.07Å; L239-M241 HydrophobicContact CD2-CG 3.89Å; L239-M241 HydrophobicContact CD2-SD 3.8Å; L239-M241 HydrophobicContact CG-CG 3.79Å; L239-M241 HydrophobicContact CG-SD 4.37Å; M241-W253 HydrophobicContact SD-CE3 4.19Å; M241-L257 HydrophobicContact CE-CB 4.49Å; M241-L257 HydrophobicContact CE-CD1 4.33Å; M241-L257 HydrophobicContact CE-CD2 3.95Å; M241-L257 HydrophobicContact CE-CG 4.5Å; M241-L257 HydrophobicContact SD-CB 4.16Å; M241-L257 HydrophobicContact SD-CD1 4.3Å
242H98.9Very high98Very high49 Ų4948 Ų4823%0.22724%0.243CC..EExtended strand (participates in β ladder)trans-81.1121.2177.1-70-98.1000110.3I188 E244 Q245 L246 L328 Y330I188-H242 CarbonylContact O-C 3.47Å; I188-H242 WeakPolarHBondContact O-CA 3.15Å; H242-E244 VanDerWaalsContact C-N 3.25Å; H242-E244 PolarHBondContact O-N 3.38Å; H242-Q245 HydrophobicContact CB-CB 3.98Å; H242-Q245 HydrophobicContact CB-CG 3.69Å; H242-Q245 PolarHBondContact O-N 2.69Å; H242-Q245 VanDerWaalsContact O-N 3.15Å; H242-L246 PolarHBondContact O-N 3.49Å; H242-L328 PolarHBondContact CE1-O 3.11Å; H242-Y330 AromaticContact ND1-CZ 3.6Å; H242-Y330 PolarHBondContact ND1-OH 3.18Å
243Y98.9Very high98Very high17 Ų1746 Ų467%0.06723%0.229CC..Hα-helixtrans-53.6-44.7177.1162.7-99000111.5L89 I188 R189 Q245 L246 V247 L303L89-Y243 HydrophobicContact CD2-CE2 4.22Å; I188-Y243 PolarHBondContact O-N 3.18Å; R189-Y243 HydrophobicContact CG-CD1 3.69Å; R189-Y243 HydrophobicContact CG-CG 4.05Å; R189-Y243 VanDerWaalsContact CZ-CE1 3.49Å; R189-Y243 VanDerWaalsContact NE-CD1 3.25Å; R189-Y243 VanDerWaalsContact NE-CE1 3.34Å; Y243-Q245 VanDerWaalsContact C-N 3.29Å; Y243-Q245 PolarHBondContact O-N 3.45Å; Y243-L246 WeakPolarHBondContact O-CB 3.32Å; Y243-L246 PolarHBondContact O-N 3.25Å; Y243-V247 HydrophobicContact CD2-CG1 3.91Å; Y243-V247 HydrophobicContact CE1-CG1 4.37Å; Y243-V247 HydrophobicContact CE1-CG2 4.2Å; Y243-V247 HydrophobicContact CE2-CG1 3.34Å; Y243-V247 WeakPolarHBondContact O-CG2 3.39Å; Y243-V247 PolarHBondContact O-N 2.93Å; Y243-L303 HydrophobicContact CE1-CD2 4.21Å
244E98.9Very high98.1Very high1 Ų140 Ų401%0.00520%0.201CC..Hα-helixtrans-61.6-43.1-178.3-61.879.7-175.800110.1R189 D190 H242 V247 L248 L303 Y330 Y339R189-E244 WeakPolarHBondContact CG-OE1 3.31Å; D190-E244 PolarHBondContact N-OE1 3.04Å; H242-E244 VanDerWaalsContact C-N 3.25Å; H242-E244 PolarHBondContact O-N 3.38Å; E244-V247 WeakPolarHBondContact O-CG2 3.5Å; E244-V247 PolarHBondContact O-N 3.41Å; E244-L248 VanDerWaalsContact O-CB 3.29Å; E244-L248 WeakPolarHBondContact O-CB 3.5Å; E244-L248 WeakPolarHBondContact O-CD1 3.03Å; E244-L248 WeakPolarHBondContact O-CG 3.23Å; E244-L248 PolarHBondContact O-N 3Å; E244-L303 HydrophobicContact CB-CD2 3.88Å; E244-L303 HydrophobicContact CG-CD2 3.79Å; E244-Y330 PolarHBondContact OE2-OH 2.6Å; E244-Y339 HydrophobicContact CB-CD1 4.2Å; E244-Y339 HydrophobicContact CB-CG 4.2Å; E244-Y339 HydrophobicContact CG-CD1 3.72Å; E244-Y339 HydrophobicContact CG-CD2 4.4Å; E244-Y339 HydrophobicContact CG-CE1 4.05Å; E244-Y339 HydrophobicContact CG-CG 3.91Å
245Q98.8Very high98.2Very high54 Ų5443.7 Ų43.725%0.25222%0.216SC..Hα-helixtrans-69.6-37.8177.8-58.7-57.2-52.300111.9H242 Y243 L248 H249 W253 Y339H242-Q245 HydrophobicContact CB-CB 3.98Å; H242-Q245 HydrophobicContact CB-CG 3.69Å; H242-Q245 PolarHBondContact O-N 2.69Å; H242-Q245 VanDerWaalsContact O-N 3.15Å; Y243-Q245 VanDerWaalsContact C-N 3.29Å; Y243-Q245 PolarHBondContact O-N 3.45Å; Q245-L248 PolarHBondContact O-N 2.82Å; Q245-H249 PolarHBondContact O-N 3.47Å; Q245-W253 VanDerWaalsContact C-CD1 3.45Å; Q245-W253 HydrophobicContact CB-CZ2 3.82Å; Q245-W253 VanDerWaalsContact CB-NE1 3.28Å; Q245-W253 HydrophobicContact CG-CZ2 4.27Å; Q245-W253 PolarHBondContact O-NE1 3.22Å; Q245-Y339 PolarHBondContact NE2-O 3.36Å
246L98.8Very high98.5Very high1 Ų141.6 Ų41.61%0.00520%0.203CC..Hα-helixtrans-61.3-44.5173.717664.8000111.8M90 M93 M187 H242 Y243 P250 W253 M254M90-L246 HydrophobicContact SD-CD2 3.97Å; M93-L246 HydrophobicContact CE-CD1 4.16Å; M93-L246 HydrophobicContact SD-CD1 4.11Å; M93-L246 HydrophobicContact SD-CD2 4.25Å; M93-L246 HydrophobicContact SD-CG 4.36Å; M187-L246 HydrophobicContact CE-CD2 3.92Å; H242-L246 PolarHBondContact O-N 3.49Å; Y243-L246 WeakPolarHBondContact O-CB 3.32Å; Y243-L246 PolarHBondContact O-N 3.25Å; L246-P250 WeakPolarHBondContact O-CA 3.03Å; L246-P250 WeakPolarHBondContact O-CB 3.41Å; L246-W253 HydrophobicContact CD1-CB 4Å; L246-M254 HydrophobicContact CD1-CG 4.49Å; L246-M254 HydrophobicContact CD1-SD 4.2Å
247V98.8Very high98.7Very high1 Ų135 Ų351%0.00617%0.168CC..Hα-helixtrans-78.8-25.9-179-58.60000113.3L89 Y243 E244 V298 V300 L303 V346L89-V247 HydrophobicContact CD2-CG1 3.78Å; Y243-V247 HydrophobicContact CD2-CG1 3.91Å; Y243-V247 HydrophobicContact CE1-CG1 4.37Å; Y243-V247 HydrophobicContact CE1-CG2 4.2Å; Y243-V247 HydrophobicContact CE2-CG1 3.34Å; Y243-V247 WeakPolarHBondContact O-CG2 3.39Å; Y243-V247 PolarHBondContact O-N 2.93Å; E244-V247 WeakPolarHBondContact O-CG2 3.5Å; E244-V247 PolarHBondContact O-N 3.41Å; V247-V298 HydrophobicContact CB-CG1 4.04Å; V247-V298 HydrophobicContact CG1-CG1 4.19Å; V247-V300 HydrophobicContact CG2-CG1 4.47Å; V247-L303 HydrophobicContact CG2-CD2 3.48Å; V247-L303 VanDerWaalsContact CG2-CD2 3.48Å; V247-L303 HydrophobicContact CG2-CG 4.16Å; V247-V346 WeakPolarHBondContact O-CG1 3.14Å; V247-V346 WeakPolarHBondContact O-CG2 3.06Å
248L98.8Very high98.8Very high1 Ų131.8 Ų31.81%0.00515%0.154CC..Hα-helixtrans-76.1-39.7173.9-70.2167.9000111.6E244 Q245 V300 L303 Y339 P342 D343E244-L248 VanDerWaalsContact O-CB 3.29Å; E244-L248 WeakPolarHBondContact O-CB 3.5Å; E244-L248 WeakPolarHBondContact O-CD1 3.03Å; E244-L248 WeakPolarHBondContact O-CG 3.23Å; E244-L248 PolarHBondContact O-N 3Å; Q245-L248 PolarHBondContact O-N 2.82Å; L248-V300 HydrophobicContact CD2-CG1 4.06Å; L248-L303 HydrophobicContact CD2-CD1 3.8Å; L248-L303 HydrophobicContact CG-CD1 4.24Å; L248-Y339 WeakPolarHBondContact CD1-O 3.18Å; L248-P342 HydrophobicContact CD2-CB 3.81Å; L248-P342 HydrophobicContact CD2-CG 4.31Å; L248-D343 PolarHBondContact O-N 3.28Å
249H98.8Very high98.8Very high39 Ų3939.5 Ų39.518%0.18119%0.186CC..SBendtrans-13461.2-171.1-49.5-66.8000112.9Q245 E251 K252 W253 Q341 D343Q245-H249 PolarHBondContact O-N 3.47Å; H249-E251 PolarHBondContact O-N 2.95Å; H249-K252 HydrophobicContact CB-CB 4.28Å; H249-K252 PolarHBondContact O-N 3.08Å; H249-W253 VanDerWaalsContact O-CD1 3.29Å; H249-W253 PolarHBondContact O-N 3.48Å; H249-Q341 PolarHBondContact CE1-O 3.39Å; H249-D343 WeakPolarHBondContact CA-OD2 3.41Å; H249-D343 IonicContact CE1-OD1 3.28Å; H249-D343 IonicContact CG-OD1 3.74Å; H249-D343 IonicContact ND1-OD1 2.62Å; H249-D343 PolarHBondContact ND1-OD1 3.49Å; H249-D343 IonicContact ND1-OD2 2.62Å
250P98.8Very high98.8Very high9 Ų940 Ų406%0.05819%0.187CC..Hα-helixtrans-62.2-41.2-168.124-34.4000113.4M93 L246 W253 M254 L270 V298 V346M93-P250 HydrophobicContact CE-CB 4.07Å; L246-P250 WeakPolarHBondContact O-CA 3.03Å; L246-P250 WeakPolarHBondContact O-CB 3.41Å; P250-W253 PolarHBondContact O-N 2.99Å; P250-M254 VanDerWaalsContact O-CB 3.29Å; P250-M254 WeakPolarHBondContact O-CB 3.3Å; P250-M254 WeakPolarHBondContact O-CG 3.42Å; P250-M254 PolarHBondContact O-N 3.33Å; P250-L270 HydrophobicContact CB-CD2 4.03Å; P250-V298 HydrophobicContact CB-CG1 4.36Å; P250-V298 HydrophobicContact CG-CG1 4.39Å; P250-V346 VanDerWaalsContact CD-CG2 3.45Å; P250-V346 HydrophobicContact CG-CG2 3.69Å
251E98.8Very high98.8Very high87 Ų8738.7 Ų38.741%0.40718%0.178SC..Hα-helixtrans-61.3-50.8-179.9-176.6174.8169.600111.8H249 W253 M254 Q255 W265 L270H249-E251 PolarHBondContact O-N 2.95Å; E251-W253 VanDerWaalsContact C-N 3.32Å; E251-W253 PolarHBondContact O-N 3.19Å; E251-M254 PolarHBondContact O-N 3.22Å; E251-Q255 WeakPolarHBondContact O-CB 3.41Å; E251-Q255 VanDerWaalsContact O-CG 3.31Å; E251-Q255 WeakPolarHBondContact O-CG 3.15Å; E251-Q255 PolarHBondContact O-N 3.33Å; E251-Q255 PolarHBondContact OE1-NE2 3.42Å; E251-W265 HydrophobicContact CG-CH2 4.17Å; E251-W265 HydrophobicContact CG-CZ2 4.41Å; E251-L270 HydrophobicContact CB-CD1 3.89Å; E251-L270 HydrophobicContact CB-CD2 4.41Å; E251-L270 HydrophobicContact CG-CD1 4.04Å
252K98.7Very high98.8Very high126 Ų12645.4 Ų45.455%0.54821%0.21SC..Hα-helixtrans-55-47.3177.7178.1-175.9176.4-178.60111.8H249 T256H249-K252 HydrophobicContact CB-CB 4.28Å; H249-K252 PolarHBondContact O-N 3.08Å; K252-T256 WeakPolarHBondContact O-CB 3.42Å; K252-T256 PolarHBondContact O-N 3.42Å; K252-T256 PolarHBondContact O-OG1 3.41Å
253W98.8Very high98.7Very high48 Ų4843.5 Ų43.518%0.18220%0.201CC..Hα-helixtrans-76.2-32.7-176.5-76.3101.6000113M241 Q245 L246 H249 P250 E251 T256 L257M241-W253 HydrophobicContact SD-CE3 4.19Å; Q245-W253 VanDerWaalsContact C-CD1 3.45Å; Q245-W253 HydrophobicContact CB-CZ2 3.82Å; Q245-W253 VanDerWaalsContact CB-NE1 3.28Å; Q245-W253 HydrophobicContact CG-CZ2 4.27Å; Q245-W253 PolarHBondContact O-NE1 3.22Å; L246-W253 HydrophobicContact CD1-CB 4Å; H249-W253 VanDerWaalsContact O-CD1 3.29Å; H249-W253 PolarHBondContact O-N 3.48Å; P250-W253 PolarHBondContact O-N 2.99Å; E251-W253 VanDerWaalsContact C-N 3.32Å; E251-W253 PolarHBondContact O-N 3.19Å; W253-T256 PolarHBondContact O-N 2.82Å; W253-L257 VanDerWaalsContact O-CB 3.27Å; W253-L257 WeakPolarHBondContact O-CB 3.19Å; W253-L257 PolarHBondContact O-N 3.2Å
254M98.9Very high98.7Very high0 Ų046.2 Ų46.20%022%0.221CC..Hα-helixtrans-69.2-39.2172.8-70.9-53.4-50.800112.1M90 M93 L94 L246 P250 E251 T256 L257 L258 W265 V269 L270M90-M254 HydrophobicContact CE-CE 3.93Å; M90-M254 HydrophobicContact CE-SD 3.52Å; M90-M254 VanDerWaalsContact CE-SD 3.52Å; M93-M254 HydrophobicContact CB-CE 4.31Å; M93-M254 HydrophobicContact CB-SD 4.04Å; M93-M254 HydrophobicContact CE-CG 3.43Å; M93-M254 VanDerWaalsContact CE-CG 3.43Å; M93-M254 HydrophobicContact CE-SD 3.63Å; M93-M254 HydrophobicContact SD-SD 4.23Å; L94-M254 HydrophobicContact CD2-CE 4.18Å; L246-M254 HydrophobicContact CD1-CG 4.49Å; L246-M254 HydrophobicContact CD1-SD 4.2Å; P250-M254 VanDerWaalsContact O-CB 3.29Å; P250-M254 WeakPolarHBondContact O-CB 3.3Å; P250-M254 WeakPolarHBondContact O-CG 3.42Å; P250-M254 PolarHBondContact O-N 3.33Å; E251-M254 PolarHBondContact O-N 3.22Å; M254-T256 VanDerWaalsContact C-N 3.34Å; M254-L257 HydrophobicContact CE-CD2 3.93Å; M254-L257 PolarHBondContact O-N 3.25Å; M254-L257 HydrophobicContact SD-CD2 4.2Å; M254-L258 HydrophobicContact CE-CG 4.44Å; M254-L258 WeakPolarHBondContact O-CB 3.46Å; M254-L258 WeakPolarHBondContact O-CG 3.45Å; M254-L258 PolarHBondContact O-N 3.5Å; M254-W265 HydrophobicContact CB-CH2 4.24Å; M254-W265 HydrophobicContact CB-CZ3 3.77Å; M254-V269 HydrophobicContact CB-CG2 3.82Å; M254-V269 HydrophobicContact CE-CB 3.78Å; M254-V269 HydrophobicContact CE-CG1 4.12Å; M254-V269 HydrophobicContact CE-CG2 3.96Å; M254-V269 HydrophobicContact CG-CG2 3.95Å; M254-L270 HydrophobicContact CB-CD2 4.34Å; M254-L270 HydrophobicContact CG-CD2 4.06Å
255Q98.8Very high98.7Very high91 Ų9151 Ų5143%0.42524%0.239SC..Hα-helixtrans-60.9-45.5171.9-73.6175.21.900111E251 L257 K259 W265E251-Q255 WeakPolarHBondContact O-CB 3.41Å; E251-Q255 VanDerWaalsContact O-CG 3.31Å; E251-Q255 WeakPolarHBondContact O-CG 3.15Å; E251-Q255 PolarHBondContact O-N 3.33Å; E251-Q255 PolarHBondContact OE1-NE2 3.42Å; Q255-L257 VanDerWaalsContact C-N 3.34Å; Q255-L257 PolarHBondContact O-N 3.14Å; Q255-K259 VanDerWaalsContact O-CB 3.27Å; Q255-K259 WeakPolarHBondContact O-CB 3.45Å; Q255-K259 PolarHBondContact O-N 3.15Å; Q255-W265 HydrophobicContact CB-CE3 4.37Å; Q255-W265 HydrophobicContact CB-CZ3 4.31Å; Q255-W265 HydrophobicContact CG-CD2 4.17Å; Q255-W265 HydrophobicContact CG-CE3 3.55Å; Q255-W265 HydrophobicContact CG-CH2 4.06Å; Q255-W265 HydrophobicContact CG-CZ3 3.5Å; Q255-W265 VanDerWaalsContact CG-CZ3 3.5Å
256T98.8Very high98.7Very high59 Ų5951.1 Ų51.136%0.36224%0.241SC..Hα-helixtrans-59-46.5175.8-56.20000111.3K252 W253 M254 F260K252-T256 WeakPolarHBondContact O-CB 3.42Å; K252-T256 PolarHBondContact O-N 3.42Å; K252-T256 PolarHBondContact O-OG1 3.41Å; W253-T256 PolarHBondContact O-N 2.82Å; M254-T256 VanDerWaalsContact C-N 3.34Å; T256-F260 WeakPolarHBondContact O-CB 3.33Å; T256-F260 PolarHBondContact O-N 3.34Å
257L98.8Very high98.7Very high0 Ų054.6 Ų54.60%026%0.26CS..Hα-helixtrans-64.8-51-180175.565000112.1M90 L94 V185 L239 M241 W253 M254 Q255 K259 F260 L261M90-L257 HydrophobicContact CE-CD2 3.16Å; M90-L257 HydrophobicContact SD-CD2 3.82Å; L94-L257 HydrophobicContact CD1-CD2 4.06Å; L94-L257 HydrophobicContact CD2-CD2 4.04Å; L94-L257 HydrophobicContact CG-CD2 4.17Å; V185-L257 HydrophobicContact CG1-CD1 4.24Å; V185-L257 HydrophobicContact CG2-CD1 3.57Å; L239-L257 HydrophobicContact CD2-CB 4.47Å; L239-L257 HydrophobicContact CD2-CD1 3.89Å; M241-L257 HydrophobicContact CE-CB 4.49Å; M241-L257 HydrophobicContact CE-CD1 4.33Å; M241-L257 HydrophobicContact CE-CD2 3.95Å; M241-L257 HydrophobicContact CE-CG 4.5Å; M241-L257 HydrophobicContact SD-CB 4.16Å; M241-L257 HydrophobicContact SD-CD1 4.3Å; W253-L257 VanDerWaalsContact O-CB 3.27Å; W253-L257 WeakPolarHBondContact O-CB 3.19Å; W253-L257 PolarHBondContact O-N 3.2Å; M254-L257 HydrophobicContact CE-CD2 3.93Å; M254-L257 PolarHBondContact O-N 3.25Å; M254-L257 HydrophobicContact SD-CD2 4.2Å; Q255-L257 VanDerWaalsContact C-N 3.34Å; Q255-L257 PolarHBondContact O-N 3.14Å; L257-K259 VanDerWaalsContact C-N 3.31Å; L257-K259 PolarHBondContact O-N 3.05Å; L257-F260 HydrophobicContact CD1-CD1 4.3Å; L257-F260 CarbonylContact O-C 3.52Å; L257-F260 WeakPolarHBondContact O-CA 3.34Å; L257-F260 WeakPolarHBondContact O-CB 3.44Å; L257-F260 PolarHBondContact O-N 2.97Å; L257-F260 VanDerWaalsContact O-N 3.1Å; L257-L261 HydrophobicContact CD1-CD1 3.81Å; L257-L261 HydrophobicContact CD1-CD2 4.45Å; L257-L261 HydrophobicContact CD1-CG 3.9Å; L257-L261 HydrophobicContact CD2-CD1 4.44Å; L257-L261 HydrophobicContact CG-CD1 3.85Å; L257-L261 HydrophobicContact CG-CG 4.26Å; L257-L261 WeakPolarHBondContact O-CB 3.39Å; L257-L261 VanDerWaalsContact O-CG 3.3Å; L257-L261 WeakPolarHBondContact O-CG 3.4Å; L257-L261 PolarHBondContact O-N 2.92Å
258L98.9Very high98.7Very high2 Ų255.5 Ų55.51%0.0127%0.267CS..Hα-helixtrans-64.1-38.8-177.3-69.7174.8000111.1L94 M254 L261 E262 V263 W265 V269L94-L258 HydrophobicContact CD2-CD2 3.88Å; M254-L258 HydrophobicContact CE-CG 4.44Å; M254-L258 WeakPolarHBondContact O-CB 3.46Å; M254-L258 WeakPolarHBondContact O-CG 3.45Å; M254-L258 PolarHBondContact O-N 3.5Å; L258-L261 CarbonylContact O-C 3.43Å; L258-L261 PolarHBondContact O-N 2.84Å; L258-E262 PolarHBondContact O-N 2.89Å; L258-V263 CarbonylContact C-O 3.58Å; L258-V263 HydrophobicContact CD2-CB 3.9Å; L258-V263 HydrophobicContact CD2-CG1 3.91Å; L258-V263 PolarHBondContact O-N 2.98Å; L258-W265 HydrophobicContact CD1-CE3 3.71Å; L258-W265 HydrophobicContact CD1-CZ3 4.11Å; L258-V269 HydrophobicContact CD1-CG1 4.18Å; L258-V269 HydrophobicContact CD1-CG2 4.42Å
259K98.8Very high98.7Very high177 Ų17755.4 Ų55.477%0.7727%0.267SS*.Hα-helixtrans-59.7-47.3170.1-175-179.7-179.4-179.70111.8Q255 L257 L261 E262Q255-K259 VanDerWaalsContact O-CB 3.27Å; Q255-K259 WeakPolarHBondContact O-CB 3.45Å; Q255-K259 PolarHBondContact O-N 3.15Å; L257-K259 VanDerWaalsContact C-N 3.31Å; L257-K259 PolarHBondContact O-N 3.05Å; K259-L261 VanDerWaalsContact C-N 3.27Å; K259-L261 PolarHBondContact O-N 3.32Å; K259-E262 PolarHBondContact O-N 3.3Å
260F98.8Very high98.7Very high39 Ų3953.9 Ų53.917%0.17126%0.26CS..Hα-helixtrans-59.5-38.9175.5164.3-102.5000111.8K183 K237 L239 T256 L257 E262K183-F260 HydrophobicContact CB-CE1 3.95Å; K183-F260 HydrophobicContact CB-CZ 4.08Å; K183-F260 HydrophobicContact CD-CE1 4.14Å; K183-F260 HydrophobicContact CD-CE2 4.49Å; K183-F260 HydrophobicContact CD-CZ 4.11Å; K183-F260 WeakPolarHBondContact CD-O 3.34Å; K183-F260 WeakPolarHBondContact CE-O 3.34Å; K183-F260 HydrophobicContact CG-CE1 4.39Å; K183-F260 HydrophobicContact CG-CZ 4.19Å; K183-F260 PolarHBondContact NZ-O 3.21Å; K237-F260 WeakPolarHBondContact O-CZ 3.49Å; L239-F260 HydrophobicContact CB-CD1 3.68Å; L239-F260 HydrophobicContact CB-CD2 4.27Å; L239-F260 HydrophobicContact CB-CE1 3.57Å; L239-F260 HydrophobicContact CB-CE2 4.18Å; L239-F260 HydrophobicContact CB-CG 4.02Å; L239-F260 HydrophobicContact CB-CZ 3.84Å; L239-F260 HydrophobicContact CD2-CB 4.02Å; L239-F260 HydrophobicContact CD2-CD1 3.85Å; L239-F260 HydrophobicContact CD2-CG 3.97Å; L239-F260 HydrophobicContact CG-CD1 4.38Å; L239-F260 HydrophobicContact CG-CG 4.48Å; T256-F260 WeakPolarHBondContact O-CB 3.33Å; T256-F260 PolarHBondContact O-N 3.34Å; L257-F260 HydrophobicContact CD1-CD1 4.3Å; L257-F260 CarbonylContact O-C 3.52Å; L257-F260 WeakPolarHBondContact O-CA 3.34Å; L257-F260 WeakPolarHBondContact O-CB 3.44Å; L257-F260 PolarHBondContact O-N 2.97Å; L257-F260 VanDerWaalsContact O-N 3.1Å; F260-E262 VanDerWaalsContact C-N 3.28Å; F260-E262 PolarHBondContact O-N 2.96Å
261L98.6Very high98.6Very high10 Ų1055.7 Ų55.75%0.05227%0.268CS..Hα-helixtrans-77.5-10.9179.5-66.3179000113.7I77 L94 K183 V185 L257 L258 K259 V263I77-L261 HydrophobicContact CD1-CD1 3.91Å; I77-L261 HydrophobicContact CD1-CD2 4.49Å; I77-L261 HydrophobicContact CG1-CD1 4.38Å; I77-L261 HydrophobicContact CG1-CD2 4.09Å; I77-L261 HydrophobicContact CG2-CD1 4.31Å; I77-L261 HydrophobicContact CG2-CD2 4.14Å; L94-L261 HydrophobicContact CD1-CD1 4.33Å; L94-L261 HydrophobicContact CD2-CD1 4.03Å; K183-L261 HydrophobicContact CB-CD2 3.79Å; K183-L261 HydrophobicContact CD-CD2 4.1Å; V185-L261 HydrophobicContact CG2-CD2 4.49Å; L257-L261 HydrophobicContact CD1-CD1 3.81Å; L257-L261 HydrophobicContact CD1-CD2 4.45Å; L257-L261 HydrophobicContact CD1-CG 3.9Å; L257-L261 HydrophobicContact CD2-CD1 4.44Å; L257-L261 HydrophobicContact CG-CD1 3.85Å; L257-L261 HydrophobicContact CG-CG 4.26Å; L257-L261 WeakPolarHBondContact O-CB 3.39Å; L257-L261 VanDerWaalsContact O-CG 3.3Å; L257-L261 WeakPolarHBondContact O-CG 3.4Å; L257-L261 PolarHBondContact O-N 2.92Å; L258-L261 CarbonylContact O-C 3.43Å; L258-L261 PolarHBondContact O-N 2.84Å; K259-L261 VanDerWaalsContact C-N 3.27Å; K259-L261 PolarHBondContact O-N 3.32Å; L261-V263 VanDerWaalsContact C-N 3.27Å; L261-V263 HydrophobicContact CB-CB 4.48Å; L261-V263 HydrophobicContact CB-CG2 3.87Å
262E98.4Very high98.6Very high143 Ų14351.5 Ų51.567%0.66825%0.248SC*.THydrogen-bonded Turntrans59.836.9-169.7-60.1166.8-117.800112.6K183 L258 K259 F260K183-E262 IonicContact NZ-OE1 3.28Å; K183-E262 PolarHBondContact NZ-OE1 3.12Å; L258-E262 PolarHBondContact O-N 2.89Å; K259-E262 PolarHBondContact O-N 3.3Å; F260-E262 VanDerWaalsContact C-N 3.28Å; F260-E262 PolarHBondContact O-N 2.96Å
263V98.4Very high98.5Very high8 Ų846 Ų465%0.04823%0.225CC..  trans-105.6135.9173.8-1790000108.3V100 F160 L258 L261V100-V263 HydrophobicContact CG2-CG1 4.08Å; F160-V263 HydrophobicContact CD1-CG2 3.83Å; F160-V263 HydrophobicContact CD2-CG1 4.38Å; F160-V263 HydrophobicContact CD2-CG2 4.01Å; F160-V263 HydrophobicContact CE1-CG2 3.84Å; F160-V263 HydrophobicContact CE2-CG1 4.29Å; F160-V263 HydrophobicContact CE2-CG2 4.04Å; F160-V263 HydrophobicContact CG-CG2 3.92Å; F160-V263 HydrophobicContact CZ-CG2 3.94Å; L258-V263 CarbonylContact C-O 3.58Å; L258-V263 HydrophobicContact CD2-CB 3.9Å; L258-V263 HydrophobicContact CD2-CG1 3.91Å; L258-V263 PolarHBondContact O-N 2.98Å; L261-V263 VanDerWaalsContact C-N 3.27Å; L261-V263 HydrophobicContact CB-CB 4.48Å; L261-V263 HydrophobicContact CB-CG2 3.87Å
264P98.3Very high98.4Very high74 Ų7447.7 Ų47.748%0.48123%0.234SC..  trans-55.5154175.4-25.735.3000112.7H97H97-P264 PolarHBondContact NE2-O 3.35Å
265W98.7Very high98.3Very high103 Ų10349.7 Ų49.739%0.3925%0.245SC..  trans-68.4138172.4173-104000110.7E251 M254 Q255 L258 V269 L270E251-W265 HydrophobicContact CG-CH2 4.17Å; E251-W265 HydrophobicContact CG-CZ2 4.41Å; M254-W265 HydrophobicContact CB-CH2 4.24Å; M254-W265 HydrophobicContact CB-CZ3 3.77Å; Q255-W265 HydrophobicContact CB-CE3 4.37Å; Q255-W265 HydrophobicContact CB-CZ3 4.31Å; Q255-W265 HydrophobicContact CG-CD2 4.17Å; Q255-W265 HydrophobicContact CG-CE3 3.55Å; Q255-W265 HydrophobicContact CG-CH2 4.06Å; Q255-W265 HydrophobicContact CG-CZ3 3.5Å; Q255-W265 VanDerWaalsContact CG-CZ3 3.5Å; L258-W265 HydrophobicContact CD1-CE3 3.71Å; L258-W265 HydrophobicContact CD1-CZ3 4.11Å; W265-V269 HydrophobicContact CH2-CG2 3.83Å; W265-V269 HydrophobicContact CZ3-CG2 3.87Å; W265-L270 HydrophobicContact CH2-CD1 3.89Å; W265-L270 HydrophobicContact CH2-CD2 4.3Å; W265-L270 HydrophobicContact CH2-CG 4Å; W265-L270 HydrophobicContact CZ2-CD1 3.98Å; W265-L270 HydrophobicContact CZ2-CG 4.38Å
266N98.7Very high98.1Very high55 Ų5546.5 Ų46.529%0.29423%0.23SC..  trans-142.1130166.9-167.5-58.8000109.5H97 P98 A268 V269H97-N266 VanDerWaalsContact CD2-CB 3.42Å; H97-N266 WeakPolarHBondContact CD2-CB 3.12Å; H97-N266 WeakPolarHBondContact NE2-CB 3.18Å; P98-N266 WeakPolarHBondContact CD-ND2 3.5Å; P98-N266 WeakPolarHBondContact CG-ND2 3.45Å; N266-A268 PolarHBondContact O-N 2.78Å; N266-A268 WeakPolarHBondContact OD1-CB 3.16Å; N266-A268 PolarHBondContact OD1-N 3.22Å; N266-V269 VanDerWaalsContact O-CG2 3.28Å; N266-V269 WeakPolarHBondContact O-CG2 3.09Å; N266-V269 PolarHBondContact O-N 2.93Å
267D98.4Very high97.8Very high74 Ų7446.8 Ų46.840%0.39625%0.245SC..G310 helixtrans-64.4-22-176.3-170.866000113.4V269 L270 H271D267-V269 PolarHBondContact O-N 3.42Å; D267-L270 WeakPolarHBondContact O-CB 3.35Å; D267-L270 PolarHBondContact O-N 3.36Å; D267-H271 IonicContact OD2-CD2 3.89Å; D267-H271 PolarHBondContact OD2-CD2 2.9Å; D267-H271 IonicContact OD2-NE2 2.78Å; D267-H271 PolarHBondContact OD2-NE2 3.46Å
268A98.4Very high97.6Very high20 Ų2052.1 Ų52.117%0.16527%0.269CS..G310 helixtrans-53.8-27.2178.200000113.6A96 N266 L270 H271 L275A96-A268 WeakPolarHBondContact CB-O 3.5Å; A96-A268 WeakPolarHBondContact O-CB 3.43Å; N266-A268 PolarHBondContact O-N 2.78Å; N266-A268 WeakPolarHBondContact OD1-CB 3.16Å; N266-A268 PolarHBondContact OD1-N 3.22Å; A268-L270 PolarHBondContact O-N 3.35Å; A268-L270 VanDerWaalsContact O-N 3.11Å; A268-H271 CarbonylContact O-C 3.25Å; A268-H271 WeakPolarHBondContact O-CA 3.24Å; A268-H271 PolarHBondContact O-N 3.16Å; A268-L275 HydrophobicContact CB-CD1 3.94Å
269V98.7Very high97.2Very high0 Ų057.3 Ų57.30%031%0.311CS..G310 helixtrans-62.7-18.1177-54.70000114M93 H97 M254 L258 W265 N266 D267M93-V269 WeakPolarHBondContact CE-O 3.43Å; M93-V269 WeakPolarHBondContact O-CA 3.31Å; M93-V269 VanDerWaalsContact O-CB 3.31Å; M93-V269 WeakPolarHBondContact O-CB 3.46Å; M93-V269 VanDerWaalsContact O-CG1 3.31Å; M93-V269 WeakPolarHBondContact O-CG1 3.24Å; H97-V269 HydrophobicContact CB-CG1 3.91Å; M254-V269 HydrophobicContact CB-CG2 3.82Å; M254-V269 HydrophobicContact CE-CB 3.78Å; M254-V269 HydrophobicContact CE-CG1 4.12Å; M254-V269 HydrophobicContact CE-CG2 3.96Å; M254-V269 HydrophobicContact CG-CG2 3.95Å; L258-V269 HydrophobicContact CD1-CG1 4.18Å; L258-V269 HydrophobicContact CD1-CG2 4.42Å; W265-V269 HydrophobicContact CH2-CG2 3.83Å; W265-V269 HydrophobicContact CZ3-CG2 3.87Å; N266-V269 VanDerWaalsContact O-CG2 3.28Å; N266-V269 WeakPolarHBondContact O-CG2 3.09Å; N266-V269 PolarHBondContact O-N 2.93Å; D267-V269 PolarHBondContact O-N 3.42Å
270L98.6Very high96.9Very high6 Ų651.6 Ų51.63%0.03130%0.303CS..G310 helixtrans-94.9-0.7175.8-53.2-178.5000113.2M93 P250 E251 M254 W265 D267 A268 R345M93-L270 HydrophobicContact CE-CD2 4.36Å; P250-L270 HydrophobicContact CB-CD2 4.03Å; E251-L270 HydrophobicContact CB-CD1 3.89Å; E251-L270 HydrophobicContact CB-CD2 4.41Å; E251-L270 HydrophobicContact CG-CD1 4.04Å; M254-L270 HydrophobicContact CB-CD2 4.34Å; M254-L270 HydrophobicContact CG-CD2 4.06Å; W265-L270 HydrophobicContact CH2-CD1 3.89Å; W265-L270 HydrophobicContact CH2-CD2 4.3Å; W265-L270 HydrophobicContact CH2-CG 4Å; W265-L270 HydrophobicContact CZ2-CD1 3.98Å; W265-L270 HydrophobicContact CZ2-CG 4.38Å; D267-L270 WeakPolarHBondContact O-CB 3.35Å; D267-L270 PolarHBondContact O-N 3.36Å; A268-L270 PolarHBondContact O-N 3.35Å; A268-L270 VanDerWaalsContact O-N 3.11Å; L270-R345 PolarHBondContact O-NH2 3.03Å
271H97.8Very high96.7Very high47 Ų4750.4 Ų50.422%0.21830%0.301CS..  trans-130.233.8-175.2-66.8-85.9000111.7D267 A268 E273 E274 R345D267-H271 IonicContact OD2-CD2 3.89Å; D267-H271 PolarHBondContact OD2-CD2 2.9Å; D267-H271 IonicContact OD2-NE2 2.78Å; D267-H271 PolarHBondContact OD2-NE2 3.46Å; A268-H271 CarbonylContact O-C 3.25Å; A268-H271 WeakPolarHBondContact O-CA 3.24Å; A268-H271 PolarHBondContact O-N 3.16Å; H271-E273 WeakPolarHBondContact CA-OE2 3.38Å; H271-E273 PolarHBondContact O-N 2.94Å; H271-E273 VanDerWaalsContact O-N 3.1Å; H271-E274 HydrophobicContact CB-CG 4.39Å; H271-E274 IonicContact CE1-OE1 2.8Å; H271-E274 IonicContact CG-OE1 2.73Å; H271-E274 IonicContact ND1-OE1 3.7Å; H271-E274 PolarHBondContact ND1-OE1 3.35Å; H271-E274 WeakPolarHBondContact O-CB 3.29Å; H271-E274 PolarHBondContact O-N 3.07Å; H271-R345 PolarHBondContact CD2-NH2 3.27Å; H271-R345 PolarHBondContact CE1-NH2 3Å; H271-R345 PolarHBondContact NE2-NH2 3.42Å
272H98.3Very high96.6Very high0 Ų050 Ų500%030%0.299CS..G310 helixtrans-57.5-29.7-175.272.681.5000113.3L89 A96 E274 L275 I276 V282 V294 K296L89-H272 WeakPolarHBondContact CD1-NE2 3.26Å; A96-H272 HydrophobicContact CB-CB 3.9Å; H272-E274 PolarHBondContact O-N 3.41Å; H272-L275 PolarHBondContact O-N 3.05Å; H272-I276 WeakPolarHBondContact O-CG1 3.43Å; H272-V282 HydrophobicContact CB-CG2 4.29Å; H272-V294 PolarHBondContact CE1-O 3.46Å; H272-V294 PolarHBondContact ND1-O 2.96Å; H272-K296 PolarHBondContact CE1-O 3.34Å
273E96.9Very high96.6Very high11 Ų1145.8 Ų45.85%0.05129%0.286CS..G310 helixtrans-65-26.9178.576.3-77-168.100112.8H271 L275 P297H271-E273 WeakPolarHBondContact CA-OE2 3.38Å; H271-E273 PolarHBondContact O-N 2.94Å; H271-E273 VanDerWaalsContact O-N 3.1Å; E273-L275 VanDerWaalsContact C-N 3.3Å; E273-P297 HydrophobicContact CG-CB 4.09Å
274E96.1Very high96.5Very high82 Ų8246.1 Ų46.138%0.38329%0.287SS..G310 helixtrans-82.4-11.8179.8-58.4-179-157.600112.2H271 H272 K278H271-E274 HydrophobicContact CB-CG 4.39Å; H271-E274 IonicContact CE1-OE1 2.8Å; H271-E274 IonicContact CG-OE1 2.73Å; H271-E274 IonicContact ND1-OE1 3.7Å; H271-E274 PolarHBondContact ND1-OE1 3.35Å; H271-E274 WeakPolarHBondContact O-CB 3.29Å; H271-E274 PolarHBondContact O-N 3.07Å; H272-E274 PolarHBondContact O-N 3.41Å; E274-K278 WeakPolarHBondContact O-CD 3.11Å; E274-K278 WeakPolarHBondContact O-CE 3.38Å; E274-K278 PolarHBondContact O-NZ 3.21Å
275L96.3Very high96.3Very high43 Ų4344 Ų4423%0.22528%0.275CS..G310 helixtrans-110.910-174.4-64.6-178.8000113.8A96 A268 H272 E273 G277 K278 V282A96-L275 HydrophobicContact CB-CD1 3.89Å; A96-L275 VanDerWaalsContact O-CD1 3.28Å; A96-L275 WeakPolarHBondContact O-CD1 3.39Å; A268-L275 HydrophobicContact CB-CD1 3.94Å; H272-L275 PolarHBondContact O-N 3.05Å; E273-L275 VanDerWaalsContact C-N 3.3Å; L275-G277 PolarHBondContact O-N 2.87Å; L275-K278 HydrophobicContact CD2-CD 4.02Å; L275-K278 PolarHBondContact O-N 3.4Å; L275-V282 HydrophobicContact CB-CG2 4.39Å; L275-V282 PolarHBondContact O-N 2.82Å
276I96Very high96Very high23 Ų2345.9 Ų45.912%0.11828%0.282CS..BIsolated β-bridgetrans-69.9125.9-179.4-58.6175.2000110.8H272 K278 V282 L284 I295 P361H272-I276 WeakPolarHBondContact O-CG1 3.43Å; I276-K278 PolarHBondContact O-N 3.36Å; I276-V282 WeakPolarHBondContact CA-O 3.39Å; I276-V282 HydrophobicContact CG1-CB 4.2Å; I276-L284 HydrophobicContact CD1-CD1 4.05Å; I276-L284 HydrophobicContact CG1-CD1 4.38Å; I276-L284 HydrophobicContact CG2-CD1 3.72Å; I276-L284 HydrophobicContact CG2-CG 4.12Å; I276-I295 VanDerWaalsContact CD1-CA 3.47Å; I276-I295 HydrophobicContact CD1-CB 4.06Å; I276-I295 HydrophobicContact CD1-CG2 3.94Å; I276-P361 HydrophobicContact CB-CG 4.43Å; I276-P361 HydrophobicContact CG2-CB 4.22Å; I276-P361 HydrophobicContact CG2-CG 3.61Å
277G92.6Very high95.6Very high66 Ų6649.3 Ų49.368%0.6830%0.304SS*.THydrogen-bonded Turntrans71.57.4-18000000114.7L275 V282L275-G277 PolarHBondContact O-N 2.87Å; G277-V282 PolarHBondContact N-O 2.87Å
278K93.5Very high95.3Very high112 Ų11246.8 Ų46.849%0.48729%0.29SS..SBendtrans-87.2153.2174.9-64-170.7-178.9165.80111E274 L275 I276 G280 G281E274-K278 WeakPolarHBondContact O-CD 3.11Å; E274-K278 WeakPolarHBondContact O-CE 3.38Å; E274-K278 PolarHBondContact O-NZ 3.21Å; L275-K278 HydrophobicContact CD2-CD 4.02Å; L275-K278 PolarHBondContact O-N 3.4Å; I276-K278 PolarHBondContact O-N 3.36Å; K278-G280 PolarHBondContact O-N 3.45Å; K278-G281 PolarHBondContact O-N 3Å
279A91.9Very high95.1Very high110 Ų11051.2 Ų51.291%0.90930%0.303SS*.THydrogen-bonded Turntrans-59.5130.9173.700000110.4G281A279-G281 PolarHBondContact O-N 3.4Å
280G91Very high94.9Very high58 Ų5852.1 Ų52.160%0.59831%0.309SS*.THydrogen-bonded Turntrans6517.6-174.700000114.6K278K278-G280 PolarHBondContact O-N 3.45Å
281G95.1Very high94.7Very high13 Ų1352 Ų5213%0.13431%0.308CS..SBendtrans-116-148.717800000113.2D95 K278 A279 S283D95-G281 CarbonylContact O-C 3.58Å; K278-G281 PolarHBondContact O-N 3Å; A279-G281 PolarHBondContact O-N 3.4Å; G281-S283 PolarHBondContact O-N 3.46Å
282V97.8Very high94.4Very high1 Ų153.1 Ų53.11%0.00632%0.316CS..BIsolated β-bridgetrans-89108.7-169.9-170.80000111.8A92 D95 A96 H272 L275 I276 G277 L284A92-V282 HydrophobicContact CB-CG1 3.79Å; A92-V282 WeakPolarHBondContact O-CG2 3.36Å; D95-V282 HydrophobicContact CB-CB 4.27Å; D95-V282 HydrophobicContact CB-CG1 4.31Å; D95-V282 HydrophobicContact CB-CG2 3.92Å; A96-V282 HydrophobicContact CB-CG2 4.25Å; H272-V282 HydrophobicContact CB-CG2 4.29Å; L275-V282 HydrophobicContact CB-CG2 4.39Å; L275-V282 PolarHBondContact O-N 2.82Å; I276-V282 WeakPolarHBondContact CA-O 3.39Å; I276-V282 HydrophobicContact CG1-CB 4.2Å; G277-V282 PolarHBondContact N-O 2.87Å; V282-L284 HydrophobicContact CG1-CD2 3.71Å; V282-L284 HydrophobicContact CG1-CG 4.13Å
283S97.1Very high94.2Very high56 Ų5655.4 Ų55.439%0.39233%0.326SS..  trans-84.9130.8169.5-165.90000111.7R91 E104 G281R91-S283 VanDerWaalsContact CZ-O 3.28Å; R91-S283 PolarHBondContact NH1-O 3.3Å; R91-S283 PolarHBondContact NH2-O 3.14Å; E104-S283 VanDerWaalsContact OE1-CB 3.3Å; E104-S283 WeakPolarHBondContact OE1-CB 3.24Å; E104-S283 PolarHBondContact OE1-OG 2.93Å; G281-S283 PolarHBondContact O-N 3.46Å
284L96.4Very high94.2Very high14 Ų1455.2 Ų55.27%0.07333%0.326CS..  trans-125.8132.1-178.1-61.3-177.5000111.2R91 I276 V282 T291 V294 I295 F363R91-L284 VanDerWaalsContact NH2-CD2 3.28Å; I276-L284 HydrophobicContact CD1-CD1 4.05Å; I276-L284 HydrophobicContact CG1-CD1 4.38Å; I276-L284 HydrophobicContact CG2-CD1 3.72Å; I276-L284 HydrophobicContact CG2-CG 4.12Å; V282-L284 HydrophobicContact CG1-CD2 3.71Å; V282-L284 HydrophobicContact CG1-CG 4.13Å; L284-T291 HydrophobicContact CB-CG2 4.09Å; L284-T291 HydrophobicContact CD1-CG2 4.12Å; L284-V294 HydrophobicContact CD1-CG1 4.27Å; L284-V294 HydrophobicContact CD2-CG1 3.87Å; L284-I295 HydrophobicContact CD1-CG2 3.86Å; L284-F363 HydrophobicContact CB-CZ 4.06Å
285S94.6Very high94.2Very high31 Ų3151.6 Ų51.622%0.21731%0.309CS..  trans-73.8132.3169.8179.40000111.5V287 E288 T291S285-V287 PolarHBondContact O-N 3.44Å; S285-V287 VanDerWaalsContact OG-CG2 3.27Å; S285-V287 WeakPolarHBondContact OG-CG2 3.48Å; S285-V287 PolarHBondContact OG-N 2.89Å; S285-E288 PolarHBondContact O-N 3.46Å; S285-T291 PolarHBondContact O-OG1 3.19Å
286R91.3Very high94.2Very high142 Ų14251.9 Ų51.954%0.53631%0.309SS..THydrogen-bonded Turntrans-62.7-23175.1-51.6-169.8-172.3-160.2-5.3113.1F363 E366R286-F363 HydrophobicContact CB-CD2 4.45Å; R286-F363 HydrophobicContact CG-CB 4.4Å; R286-F363 HydrophobicContact CG-CD2 3.61Å; R286-F363 HydrophobicContact CG-CE2 4.08Å; R286-F363 HydrophobicContact CG-CG 4.2Å; R286-F363 VanDerWaalsContact NE-CB 3.31Å; R286-E366 IonicContact CZ-OE2 3.94Å; R286-E366 IonicContact NH1-OE2 3.93Å; R286-E366 PolarHBondContact NH1-OE2 3.28Å; R286-E366 IonicContact NH2-OE2 2.86Å
287V91.3Very high94.3Very high127 Ų12750.8 Ų50.877%0.7730%0.303SS*.THydrogen-bonded Turntrans-103.4-2.7-175.1-61.70000113.5S285S285-V287 PolarHBondContact O-N 3.44Å; S285-V287 VanDerWaalsContact OG-CG2 3.27Å; S285-V287 WeakPolarHBondContact OG-CG2 3.48Å; S285-V287 PolarHBondContact OG-N 2.89Å
288E92.4Very high94.6Very high21 Ų2147.9 Ų47.910%0.09827%0.272CS..  trans-72.7133.4171.3-89.9-173.4-134.100111.2E104 E105 K164 S285 S290 T291E104-E288 WeakPolarHBondContact CB-OE1 3.45Å; E105-E288 PolarHBondContact N-OE1 3.26Å; K164-E288 IonicContact NZ-OE2 2.69Å; K164-E288 PolarHBondContact NZ-OE2 3.42Å; S285-E288 PolarHBondContact O-N 3.46Å; E288-S290 PolarHBondContact O-N 3.36Å; E288-S290 VanDerWaalsContact O-N 3.07Å; E288-T291 WeakPolarHBondContact O-CB 3.28Å; E288-T291 PolarHBondContact O-N 3.36Å; E288-T291 PolarHBondContact O-OG1 3.47Å
289R93.3Very high94.8Very high113 Ų11343.6 Ų43.643%0.42625%0.254SS..THydrogen-bonded Turntrans-70.2-7.3-174.3-56.2-56.1-54.9-77.4-1.2114.6R201 K202 V203 Q293R201-R289 VanDerWaalsContact O-CZ 3.29Å; R201-R289 PolarHBondContact O-NH1 2.65Å; R201-R289 VanDerWaalsContact O-NH1 3.14Å; R201-R289 PolarHBondContact O-NH2 3.23Å; K202-R289 PolarHBondContact O-NH1 3.43Å; V203-R289 HydrophobicContact CG1-CG 4.3Å; V203-R289 HydrophobicContact CG2-CB 3.95Å; V203-R289 HydrophobicContact CG2-CG 4.08Å; R289-Q293 PolarHBondContact O-NE2 2.94Å
290S95.3Very high95.1Very high18 Ų1839.6 Ų39.613%0.12622%0.219CC..THydrogen-bonded Turntrans-100.8-7.4178.9-57.20000113.8R84 T88 E288 D292 Q293 V294R84-S290 PolarHBondContact NH1-OG 3.08Å; T88-S290 WeakPolarHBondContact OG1-CB 3.42Å; T88-S290 PolarHBondContact OG1-OG 3.01Å; E288-S290 PolarHBondContact O-N 3.36Å; E288-S290 VanDerWaalsContact O-N 3.07Å; S290-D292 PolarHBondContact O-N 3.09Å; S290-Q293 PolarHBondContact O-N 2.91Å; S290-V294 PolarHBondContact O-N 3.17Å
291T93.6Very high95.4Very high4 Ų438.6 Ų38.63%0.02520%0.199CC..Hα-helixtrans-61.5-45.6-170.5-63.10000112.5L284 S285 E288 Q293 V294 I295 F363 L364L284-T291 HydrophobicContact CB-CG2 4.09Å; L284-T291 HydrophobicContact CD1-CG2 4.12Å; S285-T291 PolarHBondContact O-OG1 3.19Å; E288-T291 WeakPolarHBondContact O-CB 3.28Å; E288-T291 PolarHBondContact O-N 3.36Å; E288-T291 PolarHBondContact O-OG1 3.47Å; T291-Q293 PolarHBondContact O-N 3.5Å; T291-Q293 VanDerWaalsContact O-N 3.09Å; T291-V294 PolarHBondContact O-N 2.98Å; T291-I295 WeakPolarHBondContact O-CG2 3.47Å; T291-I295 PolarHBondContact O-N 3.09Å; T291-F363 HydrophobicContact CG2-CE2 3.97Å; T291-F363 HydrophobicContact CG2-CZ 4.18Å; T291-L364 HydrophobicContact CG2-CD1 4.4Å
292D91.3Very high95.5Very high70 Ų7039.4 Ų39.437%0.37420%0.204SC..Hα-helixtrans-61-18.4175.762.8-46.4000114.2R201 S290 I295R201-D292 IonicContact CZ-OD2 3.96Å; R201-D292 IonicContact NH1-OD1 2.74Å; R201-D292 IonicContact NH1-OD2 3.39Å; R201-D292 PolarHBondContact NH1-OD2 2.85Å; R201-D292 IonicContact NH2-OD2 3.86Å; S290-D292 PolarHBondContact O-N 3.09Å; D292-I295 WeakPolarHBondContact O-CG1 3.42Å
293Q95.3Very high95.5Very high48 Ų4840.2 Ų40.222%0.22421%0.208CC..Hα-helixtrans-95.9-38.5178-55.4117.648.100112R289 S290 T291 I295 K296R289-Q293 PolarHBondContact O-NE2 2.94Å; S290-Q293 PolarHBondContact O-N 2.91Å; T291-Q293 PolarHBondContact O-N 3.5Å; T291-Q293 VanDerWaalsContact O-N 3.09Å; Q293-I295 VanDerWaalsContact C-N 3.29Å; Q293-I295 PolarHBondContact O-N 2.94Å; Q293-K296 WeakPolarHBondContact O-CB 3.29Å; Q293-K296 PolarHBondContact O-N 3.44Å
294V95.9Very high95.5Very high8 Ų840.3 Ų40.35%0.04821%0.209CC..Hα-helixtrans-76.5-14.3-176.71640000113T88 L89 A92 H272 L284 S290 T291 K296T88-V294 HydrophobicContact CG2-CG2 3.87Å; L89-V294 HydrophobicContact CB-CG2 4.44Å; A92-V294 HydrophobicContact CB-CG1 3.53Å; H272-V294 PolarHBondContact CE1-O 3.46Å; H272-V294 PolarHBondContact ND1-O 2.96Å; L284-V294 HydrophobicContact CD1-CG1 4.27Å; L284-V294 HydrophobicContact CD2-CG1 3.87Å; S290-V294 PolarHBondContact O-N 3.17Å; T291-V294 PolarHBondContact O-N 2.98Å; V294-K296 PolarHBondContact O-N 3.1Å
295I95.9Very high95.5Very high5 Ų544.8 Ų44.83%0.02623%0.228CC..THydrogen-bonded Turntrans-69.4-12.8170.461.2173.3000114.2I276 L284 T291 D292 Q293 F358 L360 P361 L364I276-I295 VanDerWaalsContact CD1-CA 3.47Å; I276-I295 HydrophobicContact CD1-CB 4.06Å; I276-I295 HydrophobicContact CD1-CG2 3.94Å; L284-I295 HydrophobicContact CD1-CG2 3.86Å; T291-I295 WeakPolarHBondContact O-CG2 3.47Å; T291-I295 PolarHBondContact O-N 3.09Å; D292-I295 WeakPolarHBondContact O-CG1 3.42Å; Q293-I295 VanDerWaalsContact C-N 3.29Å; Q293-I295 PolarHBondContact O-N 2.94Å; I295-F358 HydrophobicContact CD1-CD2 4.44Å; I295-F358 HydrophobicContact CD1-CE2 4.12Å; I295-L360 HydrophobicContact CD1-CD2 3.74Å; I295-P361 HydrophobicContact CB-CG 4.44Å; I295-P361 HydrophobicContact CG2-CG 3.56Å; I295-L364 HydrophobicContact CD1-CD1 3.72Å; I295-L364 HydrophobicContact CG2-CD1 4.02Å
296K97.3Very high95.7Very high50 Ų5043.4 Ų43.422%0.21722%0.218CC..SBendtrans-95.5148.5-179.3-59.9173.5173.7-1640109.1H272 Q293 V294 V353 F358H272-K296 PolarHBondContact CE1-O 3.34Å; Q293-K296 WeakPolarHBondContact O-CB 3.29Å; Q293-K296 PolarHBondContact O-N 3.44Å; V294-K296 PolarHBondContact O-N 3.1Å; K296-V353 HydrophobicContact CB-CG2 3.99Å; K296-V353 HydrophobicContact CD-CG1 3.75Å; K296-V353 HydrophobicContact CD-CG2 4.48Å; K296-V353 HydrophobicContact CG-CG1 4.44Å; K296-V353 HydrophobicContact CG-CG2 4.45Å; K296-F358 HydrophobicContact CG-CD1 4.3Å; K296-F358 HydrophobicContact CG-CD2 4.07Å; K296-F358 HydrophobicContact CG-CE1 4.37Å; K296-F358 HydrophobicContact CG-CE2 4.15Å; K296-F358 HydrophobicContact CG-CG 4.15Å; K296-F358 HydrophobicContact CG-CZ 4.3Å
297P97.9Very high96Very high0 Ų039 Ų390%021%0.207CC..PPolyproline II helixtrans-57.9159170.226.8-35.6000110.9E273 N299 N349 V353E273-P297 HydrophobicContact CG-CB 4.09Å; P297-N299 PolarHBondContact O-N 3.3Å; P297-N299 VanDerWaalsContact O-N 3.14Å; P297-N299 PolarHBondContact O-ND2 3.36Å; P297-N349 HydrophobicContact CB-CB 4.02Å; P297-N349 HydrophobicContact CG-CB 4.09Å; P297-V353 HydrophobicContact CG-CG2 3.78Å
298V98.4Very high96.3Very high4 Ų436.5 Ų36.52%0.02421%0.206CC..SBendtrans-49.7122.6173.4-179.30000109.9L89 M93 V247 P250 N349L89-V298 HydrophobicContact CD1-CG2 4.26Å; M93-V298 HydrophobicContact CE-CG2 4.03Å; M93-V298 HydrophobicContact SD-CG2 4.01Å; V247-V298 HydrophobicContact CB-CG1 4.04Å; V247-V298 HydrophobicContact CG1-CG1 4.19Å; P250-V298 HydrophobicContact CB-CG1 4.36Å; P250-V298 HydrophobicContact CG-CG1 4.39Å; V298-N349 WeakPolarHBondContact O-CB 2.95Å; V298-N349 PolarHBondContact O-ND2 3.35Å
299N98.4Very high96.6Very high22 Ų2241.4 Ų41.412%0.11823%0.227CC..  trans-145.2163-175.965.682.5000111P297 E301 T350 V353P297-N299 PolarHBondContact O-N 3.3Å; P297-N299 VanDerWaalsContact O-N 3.14Å; P297-N299 PolarHBondContact O-ND2 3.36Å; N299-E301 PolarHBondContact OD1-N 3.08Å; N299-T350 WeakPolarHBondContact CA-OG1 3.37Å; N299-T350 WeakPolarHBondContact CB-OG1 3.34Å; N299-V353 HydrophobicContact CB-CG2 4.43Å
300V97.9Very high96.8Very high27 Ų2736.7 Ų36.716%0.16421%0.21CC..SBendtrans-101.66.2-173.9-69.30000114.8V247 L248 A302 L303 P342 V346 T350V247-V300 HydrophobicContact CG2-CG1 4.47Å; L248-V300 HydrophobicContact CD2-CG1 4.06Å; V300-A302 PolarHBondContact O-N 3.38Å; V300-L303 HydrophobicContact CB-CD1 3.72Å; V300-L303 HydrophobicContact CB-CG 4.15Å; V300-L303 HydrophobicContact CG1-CD1 3.78Å; V300-L303 HydrophobicContact CG1-CG 4.41Å; V300-L303 PolarHBondContact O-N 3.36Å; V300-P342 HydrophobicContact CG1-CB 4.12Å; V300-V346 HydrophobicContact CG1-CG1 3.58Å; V300-T350 HydrophobicContact CG2-CG2 4.11Å; V300-T350 PolarHBondContact N-OG1 3Å
301E96.8Very high97Very high37 Ų3738 Ų3817%0.17322%0.219CC..THydrogen-bonded Turntrans-55.2-32.5-176.5-73.7-170.6-129.200112.9N299 K305 T350 V353 Y354N299-E301 PolarHBondContact OD1-N 3.08Å; E301-K305 WeakPolarHBondContact O-CD 3.35Å; E301-K305 WeakPolarHBondContact O-CE 3.43Å; E301-K305 VanDerWaalsContact O-CG 3.3Å; E301-K305 WeakPolarHBondContact O-CG 3.37Å; E301-K305 IonicContact OE2-NZ 3.74Å; E301-K305 PolarHBondContact OE2-NZ 2.83Å; E301-T350 HydrophobicContact CG-CG2 4.43Å; E301-V353 WeakPolarHBondContact OE1-CG1 3.31Å; E301-Y354 HydrophobicContact CG-CE1 4.45Å; E301-Y354 HydrophobicContact CG-CE2 4.41Å
302A97.3Very high97.2Very high30 Ų3043 Ų4325%0.24825%0.251CS..THydrogen-bonded Turntrans-91.7-1.2-170.800000114.4R189 V300 S304R189-A302 PolarHBondContact NH2-O 3.29Å; V300-A302 PolarHBondContact O-N 3.38Å; A302-S304 PolarHBondContact O-N 2.68Å
303L97.8Very high97.6Very high18 Ų1842.9 Ų42.99%0.09425%0.25CS..SBendtrans-57.8-50.6-175.9-74.1179.5000112.4Y243 E244 V247 L248 V300 Y339Y243-L303 HydrophobicContact CE1-CD2 4.21Å; E244-L303 HydrophobicContact CB-CD2 3.88Å; E244-L303 HydrophobicContact CG-CD2 3.79Å; V247-L303 HydrophobicContact CG2-CD2 3.48Å; V247-L303 VanDerWaalsContact CG2-CD2 3.48Å; V247-L303 HydrophobicContact CG2-CG 4.16Å; L248-L303 HydrophobicContact CD2-CD1 3.8Å; L248-L303 HydrophobicContact CG-CD1 4.24Å; V300-L303 HydrophobicContact CB-CD1 3.72Å; V300-L303 HydrophobicContact CB-CG 4.15Å; V300-L303 HydrophobicContact CG1-CD1 3.78Å; V300-L303 HydrophobicContact CG1-CG 4.41Å; V300-L303 PolarHBondContact O-N 3.36Å; L303-Y339 HydrophobicContact CB-CD2 4.38Å
304S97Very high97.7Very high58 Ų5840.8 Ų40.841%0.40624%0.241SC..SBendtrans-124.414.4-16749.80000114.6A302 W306 V307A302-S304 PolarHBondContact O-N 2.68Å; S304-W306 PolarHBondContact O-N 3.21Å; S304-V307 WeakPolarHBondContact O-CB 3.35Å; S304-V307 VanDerWaalsContact O-CG2 3.25Å; S304-V307 WeakPolarHBondContact O-CG2 3.47Å; S304-V307 PolarHBondContact O-N 2.84Å
305K96.8Very high97.9Very high107 Ų10742.4 Ų42.447%0.46525%0.251SS..THydrogen-bonded Turntrans-57.3-18.7178.3-80.8176.9177.3169.40114.5E301E301-K305 WeakPolarHBondContact O-CD 3.35Å; E301-K305 WeakPolarHBondContact O-CE 3.43Å; E301-K305 VanDerWaalsContact O-CG 3.3Å; E301-K305 WeakPolarHBondContact O-CG 3.37Å; E301-K305 IonicContact OE2-NZ 3.74Å; E301-K305 PolarHBondContact OE2-NZ 2.83Å
306W98.4Very high98Very high2 Ų250.4 Ų50.41%0.00828%0.281CS..THydrogen-bonded Turntrans-77.5-18.6179.367.4-94.8000114R192 A193 H196 S304 G308 K309 I310 N335 P336 Y339R192-W306 HydrophobicContact CB-CD2 3.71Å; R192-W306 HydrophobicContact CB-CE3 3.65Å; R192-W306 HydrophobicContact CB-CG 4.32Å; R192-W306 HydrophobicContact CB-CH2 4.12Å; R192-W306 HydrophobicContact CB-CZ2 4.16Å; R192-W306 HydrophobicContact CB-CZ3 3.87Å; R192-W306 VanDerWaalsContact CD-CH2 3.45Å; R192-W306 HydrophobicContact CG-CE3 4.44Å; R192-W306 HydrophobicContact CG-CH2 4.37Å; R192-W306 HydrophobicContact CG-CZ3 4.21Å; A193-W306 HydrophobicContact CB-CG 4.24Å; H196-W306 HydrophobicContact CB-CB 3.52Å; S304-W306 PolarHBondContact O-N 3.21Å; W306-G308 PolarHBondContact O-N 3.39Å; W306-K309 VanDerWaalsContact O-CB 3.31Å; W306-K309 WeakPolarHBondContact O-CB 3.23Å; W306-K309 PolarHBondContact O-N 2.96Å; W306-I310 HydrophobicContact CE3-CD1 3.67Å; W306-I310 HydrophobicContact CE3-CG1 4.28Å; W306-I310 HydrophobicContact CZ3-CD1 3.98Å; W306-N335 HydrophobicContact CH2-CB 4.46Å; W306-N335 VanDerWaalsContact CZ3-OD1 3.31Å; W306-N335 WeakPolarHBondContact CZ3-OD1 3.34Å; W306-P336 HydrophobicContact CH2-CB 4.48Å; W306-P336 HydrophobicContact CZ2-CB 3.79Å; W306-Y339 PolarHBondContact NE1-OH 3.49Å; W306-Y339 VanDerWaalsContact NE1-OH 3.12Å
307V98Very high98.1Very high51 Ų5149.9 Ų49.931%0.30928%0.28SS..THydrogen-bonded Turntrans-62132.5-175.61780000110S304 K309 P336S304-V307 WeakPolarHBondContact O-CB 3.35Å; S304-V307 VanDerWaalsContact O-CG2 3.25Å; S304-V307 WeakPolarHBondContact O-CG2 3.47Å; S304-V307 PolarHBondContact O-N 2.84Å; V307-K309 PolarHBondContact O-N 3.38Å; V307-P336 HydrophobicContact CG2-CB 3.59Å; V307-P336 HydrophobicContact CG2-CG 3.72Å
308G97.8Very high98.1Very high74 Ų7449.9 Ų49.976%0.76328%0.28SS*.THydrogen-bonded Turntrans73.77.4-176.900000115.1W306W306-G308 PolarHBondContact O-N 3.39Å
309K98.4Very high98.1Very high123 Ų12351.4 Ų51.454%0.53529%0.293SS..  trans-103.8-11.8179.2-52.2-58.5-178.3-173.30114.1Y213 W306 V307Y213-K309 PolarHBondContact OH-O 3.47Å; W306-K309 VanDerWaalsContact O-CB 3.31Å; W306-K309 WeakPolarHBondContact O-CB 3.23Å; W306-K309 PolarHBondContact O-N 2.96Å; V307-K309 PolarHBondContact O-N 3.38Å
310I98.6Very high98.1Very high14 Ų1456.4 Ų56.47%0.07232%0.324CS..SBendtrans-90.1132.5-178.4-57.7-175.3000109R192 Y213 W306 V314 V315 M318R192-I310 HydrophobicContact CB-CD1 3.62Å; R192-I310 HydrophobicContact CG-CD1 3.71Å; Y213-I310 HydrophobicContact CD1-CB 4.49Å; Y213-I310 HydrophobicContact CD1-CG1 3.95Å; Y213-I310 HydrophobicContact CD1-CG2 4.38Å; Y213-I310 HydrophobicContact CE1-CG1 3.91Å; W306-I310 HydrophobicContact CE3-CD1 3.67Å; W306-I310 HydrophobicContact CE3-CG1 4.28Å; W306-I310 HydrophobicContact CZ3-CD1 3.98Å; I310-V314 HydrophobicContact CG2-CB 3.77Å; I310-V314 HydrophobicContact CG2-CG1 3.6Å; I310-V315 HydrophobicContact CB-CG2 3.87Å; I310-V315 HydrophobicContact CG2-CG2 3.74Å; I310-M318 HydrophobicContact CD1-CE 4Å; I310-M318 HydrophobicContact CG2-CE 4.13Å
311P98.6Very high98.2Very high46 Ų4655.7 Ų55.730%0.29932%0.319SS..  trans-54.9141.5176.9-28.536.6000113.1Y213 D313 V314 V315Y213-P311 HydrophobicContact CD2-CG 4.17Å; P311-D313 VanDerWaalsContact C-N 3.29Å; P311-D313 VanDerWaalsContact CB-OD1 3.24Å; P311-D313 WeakPolarHBondContact CB-OD1 3.36Å; P311-D313 PolarHBondContact O-N 3.42Å; P311-V314 HydrophobicContact CB-CG2 4.21Å; P311-V314 HydrophobicContact CG-CG2 4.49Å; P311-V314 WeakPolarHBondContact O-CB 3.43Å; P311-V314 PolarHBondContact O-N 3.37Å; P311-V315 PolarHBondContact O-N 2.92Å
312P98.3Very high98.2Very high110 Ų11054 Ų5471%0.71431%0.311SS*.Hα-helixtrans-57.8-34.1-175.8-27.635.1000115.1V314 V315 R316P312-V314 VanDerWaalsContact C-N 3.32Å; P312-V314 PolarHBondContact O-N 2.92Å; P312-V315 PolarHBondContact O-N 2.81Å; P312-R316 WeakPolarHBondContact O-CB 3.43Å; P312-R316 PolarHBondContact O-N 3.28Å
313D98.5Very high98.3Very high66 Ų6655.2 Ų55.235%0.35332%0.317SS..Hα-helixtrans-65.8-36.6176.971.7-66.1000111.9R214 P311 D317R214-D313 IonicContact CZ-OD2 3.77Å; R214-D313 IonicContact NE-OD2 3.8Å; R214-D313 PolarHBondContact NH2-O 3.04Å; R214-D313 IonicContact NH2-OD2 2.87Å; R214-D313 PolarHBondContact NH2-OD2 3.44Å; P311-D313 VanDerWaalsContact C-N 3.29Å; P311-D313 VanDerWaalsContact CB-OD1 3.24Å; P311-D313 WeakPolarHBondContact CB-OD1 3.36Å; P311-D313 PolarHBondContact O-N 3.42Å; D313-D317 VanDerWaalsContact O-CG 3.23Å; D313-D317 PolarHBondContact O-N 3.42Å
314V98.7Very high98.4Very high4 Ų454.4 Ų54.42%0.02431%0.313CS..Hα-helixtrans-73.1-38.6176.6178.40000110.7R214 L217 I310 P311 P312 D317 M318 I321R214-V314 HydrophobicContact CB-CG2 4Å; L217-V314 HydrophobicContact CD1-CG1 3.47Å; L217-V314 VanDerWaalsContact CD1-CG1 3.47Å; I310-V314 HydrophobicContact CG2-CB 3.77Å; I310-V314 HydrophobicContact CG2-CG1 3.6Å; P311-V314 HydrophobicContact CB-CG2 4.21Å; P311-V314 HydrophobicContact CG-CG2 4.49Å; P311-V314 WeakPolarHBondContact O-CB 3.43Å; P311-V314 PolarHBondContact O-N 3.37Å; P312-V314 VanDerWaalsContact C-N 3.32Å; P312-V314 PolarHBondContact O-N 2.92Å; V314-D317 CarbonylContact O-C 3.58Å; V314-D317 PolarHBondContact O-N 3Å; V314-M318 HydrophobicContact CG1-CE 4.27Å; V314-M318 WeakPolarHBondContact O-CA 3.43Å; V314-M318 PolarHBondContact O-N 3.39Å; V314-I321 HydrophobicContact CB-CD1 4.39Å; V314-I321 HydrophobicContact CG1-CD1 3.85Å
315V98.6Very high98.5Very high42 Ų4251.7 Ų51.726%0.25529%0.293SS..Hα-helixtrans-61.2-46.1173.7175.90000110.7I310 P311 P312 D317 M318I310-V315 HydrophobicContact CB-CG2 3.87Å; I310-V315 HydrophobicContact CG2-CG2 3.74Å; P311-V315 PolarHBondContact O-N 2.92Å; P312-V315 PolarHBondContact O-N 2.81Å; V315-D317 VanDerWaalsContact C-N 3.28Å; V315-D317 PolarHBondContact O-N 3.21Å; V315-M318 VanDerWaalsContact O-CB 3.3Å; V315-M318 WeakPolarHBondContact O-CB 3.46Å; V315-M318 PolarHBondContact O-N 3.36Å
316R98.4Very high98.5Very high173 Ų17349.8 Ų49.865%0.65329%0.294SS*.Hα-helixtrans-58.3-41177.4-176.9-169.863.1-137.2-7.7112P312P312-R316 WeakPolarHBondContact O-CB 3.43Å; P312-R316 PolarHBondContact O-N 3.28Å
317D98.7Very high98.5Very high39 Ų3956.1 Ų56.121%0.20932%0.318CS..THydrogen-bonded Turntrans-94.310.1-175.1-55.9-10.8000112.9R214 D313 V314 V315 A319 V320 I321R214-D317 IonicContact CZ-OD2 3.3Å; R214-D317 VanDerWaalsContact CZ-OD2 3.3Å; R214-D317 IonicContact NH1-OD2 2.92Å; R214-D317 PolarHBondContact NH1-OD2 2.97Å; R214-D317 IonicContact NH2-OD2 2.76Å; R214-D317 PolarHBondContact NH2-OD2 3.21Å; D313-D317 VanDerWaalsContact O-CG 3.23Å; D313-D317 PolarHBondContact O-N 3.42Å; V314-D317 CarbonylContact O-C 3.58Å; V314-D317 PolarHBondContact O-N 3Å; V315-D317 VanDerWaalsContact C-N 3.28Å; V315-D317 PolarHBondContact O-N 3.21Å; D317-A319 PolarHBondContact O-N 3.36Å; D317-V320 WeakPolarHBondContact O-CB 3.34Å; D317-V320 PolarHBondContact O-N 3.35Å; D317-I321 HydrophobicContact CB-CD1 3.79Å; D317-I321 HydrophobicContact CB-CG1 4.08Å; D317-I321 WeakPolarHBondContact O-CG1 3.49Å; D317-I321 PolarHBondContact O-N 3.26Å
318M98.8Very high98.6Very high1 Ų154.1 Ų54.11%0.00531%0.305CS..Hα-helixtrans-54.3-45.8-168.1-172.864.263.700113.5R192 L217 I310 V314 V315 V320 I321 A322 L325 P332R192-M318 HydrophobicContact CG-CE 3.73Å; R192-M318 HydrophobicContact CG-SD 3.73Å; L217-M318 HydrophobicContact CD1-CE 3.9Å; L217-M318 HydrophobicContact CD1-SD 3.85Å; L217-M318 HydrophobicContact CD2-SD 4.32Å; I310-M318 HydrophobicContact CD1-CE 4Å; I310-M318 HydrophobicContact CG2-CE 4.13Å; V314-M318 HydrophobicContact CG1-CE 4.27Å; V314-M318 WeakPolarHBondContact O-CA 3.43Å; V314-M318 PolarHBondContact O-N 3.39Å; V315-M318 VanDerWaalsContact O-CB 3.3Å; V315-M318 WeakPolarHBondContact O-CB 3.46Å; V315-M318 PolarHBondContact O-N 3.36Å; M318-V320 PolarHBondContact O-N 3.02Å; M318-I321 PolarHBondContact O-N 3.03Å; M318-A322 PolarHBondContact O-N 3.38Å; M318-L325 HydrophobicContact CG-CD1 3.65Å; M318-L325 HydrophobicContact SD-CD1 3.72Å; M318-P332 HydrophobicContact CB-CB 4.43Å; M318-P332 HydrophobicContact CG-CB 4.01Å; M318-P332 WeakPolarHBondContact CG-O 3.38Å
319A98.6Very high98.6Very high35 Ų3553.9 Ų53.929%0.28930%0.303SS..Hα-helixtrans-63.8-3018000000112.9D317 P332D317-A319 PolarHBondContact O-N 3.36Å; A319-P332 HydrophobicContact CB-CB 4.07Å; A319-P332 HydrophobicContact CB-CG 3.89Å
320V98.6Very high98.6Very high127 Ų12748.5 Ų48.577%0.7728%0.28SS*.Hα-helixtrans-80.9-42.3177.5179.90000110.8D317 M318D317-V320 WeakPolarHBondContact O-CB 3.34Å; D317-V320 PolarHBondContact O-N 3.35Å; M318-V320 PolarHBondContact O-N 3.02Å
321I98.8Very high98.6Very high13 Ų1351.6 Ų51.67%0.06730%0.296CS..Hα-helixtrans-67.7-40.3-179.2-64.6167.7000111R214 L217 V314 D317 M318R214-I321 HydrophobicContact CG-CD1 3.97Å; R214-I321 HydrophobicContact CG-CG1 4.33Å; L217-I321 HydrophobicContact CB-CG2 3.49Å; L217-I321 VanDerWaalsContact CB-CG2 3.49Å; L217-I321 HydrophobicContact CD1-CG2 4.49Å; V314-I321 HydrophobicContact CB-CD1 4.39Å; V314-I321 HydrophobicContact CG1-CD1 3.85Å; D317-I321 HydrophobicContact CB-CD1 3.79Å; D317-I321 HydrophobicContact CB-CG1 4.08Å; D317-I321 WeakPolarHBondContact O-CG1 3.49Å; D317-I321 PolarHBondContact O-N 3.26Å; M318-I321 PolarHBondContact O-N 3.03Å
322A98.8Very high98.6Very high0 Ų049.8 Ų49.80%028%0.284CS..  trans-135.962.4-168.700000112.7W220 N221 M318 M324 L325W220-A322 HydrophobicContact CE3-CB 4.27Å; W220-A322 HydrophobicContact CZ3-CB 4.01Å; N221-A322 HydrophobicContact CB-CB 4.46Å; N221-A322 VanDerWaalsContact OD1-C 3.29Å; N221-A322 WeakPolarHBondContact OD1-CA 3.27Å; M318-A322 PolarHBondContact O-N 3.38Å; A322-M324 PolarHBondContact O-N 3.05Å; A322-M324 VanDerWaalsContact O-N 3.09Å; A322-L325 HydrophobicContact CB-CD1 3.82Å; A322-L325 HydrophobicContact CB-CG 4.04Å; A322-L325 WeakPolarHBondContact O-CB 3.35Å; A322-L325 WeakPolarHBondContact O-CG 3.46Å; A322-L325 PolarHBondContact O-N 3.32Å
323P98.8Very high98.6Very high57 Ų5750.7 Ų50.737%0.3728%0.279SS..THydrogen-bonded Turntrans-60.3-20.9179.825.8-36.9000113.9N221 L325 S326 R327N221-P323 VanDerWaalsContact OD1-CD 3.24Å; N221-P323 WeakPolarHBondContact OD1-CD 3.44Å; P323-L325 PolarHBondContact O-N 2.9Å; P323-S326 PolarHBondContact O-N 2.87Å; P323-R327 PolarHBondContact O-N 3.09Å
324M98.8Very high98.5Very high1 Ų148.7 Ų48.71%0.00527%0.272CS..Hα-helixtrans-62.8-21.7172.8-74.1-60.5-60.200113W220 N221 I224 E225 Y228 A322 R327 L328W220-M324 HydrophobicContact CH2-CB 4.1Å; W220-M324 HydrophobicContact CZ3-CB 4.03Å; N221-M324 WeakPolarHBondContact OD1-CB 3.3Å; N221-M324 VanDerWaalsContact OD1-CG 3.26Å; N221-M324 WeakPolarHBondContact OD1-CG 3.43Å; N221-M324 PolarHBondContact OD1-N 3.5Å; I224-M324 HydrophobicContact CG2-CB 3.8Å; I224-M324 HydrophobicContact CG2-CE 4.44Å; I224-M324 HydrophobicContact CG2-CG 3.92Å; E225-M324 HydrophobicContact CB-CG 3.82Å; E225-M324 HydrophobicContact CB-SD 3.85Å; E225-M324 HydrophobicContact CG-SD 4.06Å; Y228-M324 HydrophobicContact CD1-CE 3.73Å; Y228-M324 HydrophobicContact CG-CE 4.09Å; A322-M324 PolarHBondContact O-N 3.05Å; A322-M324 VanDerWaalsContact O-N 3.09Å; M324-R327 HydrophobicContact CE-CB 4.37Å; M324-R327 PolarHBondContact O-N 3.34Å; M324-R327 HydrophobicContact SD-CB 4.23Å; M324-R327 HydrophobicContact SD-CG 4.5Å; M324-L328 HydrophobicContact CB-CD1 4.2Å; M324-L328 HydrophobicContact CE-CD1 3.95Å; M324-L328 HydrophobicContact CE-CD2 4.04Å; M324-L328 HydrophobicContact CE-CG 3.88Å; M324-L328 VanDerWaalsContact O-CB 3.24Å; M324-L328 WeakPolarHBondContact O-CB 3.36Å; M324-L328 WeakPolarHBondContact O-CD1 3.38Å; M324-L328 WeakPolarHBondContact O-CG 3.26Å; M324-L328 PolarHBondContact O-N 2.93Å
325L98.9Very high98.4Very high0 Ų051.5 Ų51.50%029%0.286CS..Hα-helixtrans-54.6-55.7173.3-72.3171.3000110.4D190 R192 W220 M318 A322 P323 R327 L328 G329 Y330 P332D190-L325 WeakPolarHBondContact OD1-CD2 3.45Å; R192-L325 HydrophobicContact CG-CD1 4.38Å; W220-L325 HydrophobicContact CH2-CD2 3.78Å; W220-L325 HydrophobicContact CH2-CG 4.09Å; W220-L325 HydrophobicContact CZ2-CD2 4.49Å; W220-L325 HydrophobicContact CZ3-CD2 4.18Å; W220-L325 HydrophobicContact CZ3-CG 4.09Å; M318-L325 HydrophobicContact CG-CD1 3.65Å; M318-L325 HydrophobicContact SD-CD1 3.72Å; A322-L325 HydrophobicContact CB-CD1 3.82Å; A322-L325 HydrophobicContact CB-CG 4.04Å; A322-L325 WeakPolarHBondContact O-CB 3.35Å; A322-L325 WeakPolarHBondContact O-CG 3.46Å; A322-L325 PolarHBondContact O-N 3.32Å; P323-L325 PolarHBondContact O-N 2.9Å; L325-R327 PolarHBondContact O-N 3.09Å; L325-L328 CarbonylContact O-C 3.58Å; L325-L328 PolarHBondContact O-N 3.38Å; L325-L328 VanDerWaalsContact O-N 3.12Å; L325-G329 PolarHBondContact O-N 3.46Å; L325-Y330 CarbonylContact C-O 3.52Å; L325-Y330 HydrophobicContact CD2-CD2 4.18Å; L325-Y330 HydrophobicContact CD2-CG 4.31Å; L325-Y330 WeakPolarHBondContact O-CA 3.17Å; L325-Y330 PolarHBondContact O-N 3.39Å; L325-Y330 VanDerWaalsContact O-O 3.14Å; L325-P332 HydrophobicContact CB-CB 4.37Å; L325-P332 HydrophobicContact CD1-CB 4.2Å
326S98.6Very high98.2Very high68 Ų6852.1 Ų52.148%0.47629%0.291SS..Hα-helixtrans-61.9-42.5179.2-53.40000112.2P323 L328 G329 Y330 P332P323-S326 PolarHBondContact O-N 2.87Å; S326-L328 PolarHBondContact O-N 2.98Å; S326-G329 PolarHBondContact O-N 3.07Å; S326-Y330 PolarHBondContact N-O 3.41Å; S326-P332 WeakPolarHBondContact OG-CD 3.31Å; S326-P332 WeakPolarHBondContact OG-CG 3.24Å
327R98.4Very high97.9Very high134 Ų13444.6 Ų44.651%0.50627%0.265SS..Hα-helixtrans-62.7-25178.4-67.3-173.465.9-171.32.4113.2E225 P323 M324 L325E225-R327 IonicContact OE1-NH1 3.57Å; P323-R327 PolarHBondContact O-N 3.09Å; M324-R327 HydrophobicContact CE-CB 4.37Å; M324-R327 PolarHBondContact O-N 3.34Å; M324-R327 HydrophobicContact SD-CB 4.23Å; M324-R327 HydrophobicContact SD-CG 4.5Å; L325-R327 PolarHBondContact O-N 3.09Å
328L98.6Very high97.8Very high9 Ų949.5 Ų49.55%0.04729%0.291CS..THydrogen-bonded Turntrans-100.611.2178.9-62171.1000112.1I188 W220 I224 Y228 H242 M324 L325 S326 Y330I188-L328 HydrophobicContact CD1-CD2 3.96Å; I188-L328 HydrophobicContact CG2-CB 4.34Å; I188-L328 HydrophobicContact CG2-CD1 3.88Å; I188-L328 HydrophobicContact CG2-CD2 4.27Å; I188-L328 HydrophobicContact CG2-CG 4.38Å; W220-L328 HydrophobicContact CH2-CD1 4.25Å; W220-L328 HydrophobicContact CZ2-CD1 4.38Å; I224-L328 HydrophobicContact CG1-CD1 3.84Å; I224-L328 HydrophobicContact CG2-CD1 4.28Å; Y228-L328 HydrophobicContact CD1-CD2 4.11Å; Y228-L328 HydrophobicContact CD2-CD2 3.74Å; Y228-L328 HydrophobicContact CE1-CD2 4.04Å; Y228-L328 HydrophobicContact CE2-CD2 3.69Å; Y228-L328 HydrophobicContact CG-CD2 3.95Å; H242-L328 PolarHBondContact CE1-O 3.11Å; M324-L328 HydrophobicContact CB-CD1 4.2Å; M324-L328 HydrophobicContact CE-CD1 3.95Å; M324-L328 HydrophobicContact CE-CD2 4.04Å; M324-L328 HydrophobicContact CE-CG 3.88Å; M324-L328 VanDerWaalsContact O-CB 3.24Å; M324-L328 WeakPolarHBondContact O-CB 3.36Å; M324-L328 WeakPolarHBondContact O-CD1 3.38Å; M324-L328 WeakPolarHBondContact O-CG 3.26Å; M324-L328 PolarHBondContact O-N 2.93Å; L325-L328 CarbonylContact O-C 3.58Å; L325-L328 PolarHBondContact O-N 3.38Å; L325-L328 VanDerWaalsContact O-N 3.12Å; S326-L328 PolarHBondContact O-N 2.98Å; L328-Y330 HydrophobicContact CB-CD2 3.8Å; L328-Y330 HydrophobicContact CB-CE2 3.79Å; L328-Y330 PolarHBondContact O-N 3.3Å
329G98.3Very high97.7Very high70 Ų7050.5 Ų50.572%0.72230%0.295SS*.THydrogen-bonded Turntrans79.212.6176.600000115.4L325 S326L325-G329 PolarHBondContact O-N 3.46Å; S326-G329 PolarHBondContact O-N 3.07Å
330Y98.6Very high97.7Very high10 Ų1050.3 Ų50.34%0.03930%0.296CS..  trans-94.7118170.9-54.1-72.6000109.9I188 R189 D190 H242 E244 L325 S326 L328 P332 Y339I188-Y330 HydrophobicContact CG2-CE2 3.96Å; R189-Y330 WeakPolarHBondContact CA-OH 3.24Å; D190-Y330 HydrophobicContact CB-CD1 3.91Å; D190-Y330 HydrophobicContact CB-CE1 3.91Å; D190-Y330 HydrophobicContact CB-CG 4.34Å; D190-Y330 PolarHBondContact N-OH 2.84Å; H242-Y330 AromaticContact ND1-CZ 3.6Å; H242-Y330 PolarHBondContact ND1-OH 3.18Å; E244-Y330 PolarHBondContact OE2-OH 2.6Å; L325-Y330 CarbonylContact C-O 3.52Å; L325-Y330 HydrophobicContact CD2-CD2 4.18Å; L325-Y330 HydrophobicContact CD2-CG 4.31Å; L325-Y330 WeakPolarHBondContact O-CA 3.17Å; L325-Y330 PolarHBondContact O-N 3.39Å; L325-Y330 VanDerWaalsContact O-O 3.14Å; S326-Y330 PolarHBondContact N-O 3.41Å; L328-Y330 HydrophobicContact CB-CD2 3.8Å; L328-Y330 HydrophobicContact CB-CE2 3.79Å; L328-Y330 PolarHBondContact O-N 3.3Å; Y330-P332 VanDerWaalsContact O-CD 3.27Å; Y330-P332 WeakPolarHBondContact O-CD 3.42Å; Y330-Y339 AromaticContact CD1-CE1 3.97Å; Y330-Y339 HydrophobicContact CD1-CE1 3.97Å; Y330-Y339 HydrophobicContact CE1-CD1 4.46Å; Y330-Y339 HydrophobicContact CE1-CE1 4.11Å
331D98.5Very high97.6Very high79 Ų7951.3 Ų51.342%0.42229%0.293SS..  trans-62.6116.4171.8179.4-6.6000109.7R192 H333 A334R192-D331 PolarHBondContact NH1-O 2.93Å; R192-D331 PolarHBondContact NH2-O 3.15Å; D331-H333 PolarHBondContact O-N 2.85Å; D331-H333 WeakPolarHBondContact OD1-CB 3.49Å; D331-H333 IonicContact OD1-CD2 3.81Å; D331-H333 PolarHBondContact OD1-N 2.69Å; D331-A334 HydrophobicContact CB-CB 3.84Å; D331-A334 PolarHBondContact OD1-N 2.94Å
332P98.3Very high97.6Very high7 Ų752 Ų525%0.04530%0.298CS..SBendtrans-70.3-17.1-178.830.4-36000113R192 M318 A319 L325 S326 Y330R192-P332 PolarHBondContact NH1-O 2.88Å; M318-P332 HydrophobicContact CB-CB 4.43Å; M318-P332 HydrophobicContact CG-CB 4.01Å; M318-P332 WeakPolarHBondContact CG-O 3.38Å; A319-P332 HydrophobicContact CB-CB 4.07Å; A319-P332 HydrophobicContact CB-CG 3.89Å; L325-P332 HydrophobicContact CB-CB 4.37Å; L325-P332 HydrophobicContact CD1-CB 4.2Å; S326-P332 WeakPolarHBondContact OG-CD 3.31Å; S326-P332 WeakPolarHBondContact OG-CG 3.24Å; Y330-P332 VanDerWaalsContact O-CD 3.27Å; Y330-P332 WeakPolarHBondContact O-CD 3.42Å
333H97.7Very high97.6Very high130 Ų13054.4 Ų54.460%0.60231%0.311SS*.SBendtrans-95.9-21.4-179.6-59-63.9000113.1D331 N335D331-H333 PolarHBondContact O-N 2.85Å; D331-H333 WeakPolarHBondContact OD1-CB 3.49Å; D331-H333 IonicContact OD1-CD2 3.81Å; D331-H333 PolarHBondContact OD1-N 2.69Å; H333-N335 PolarHBondContact O-ND2 2.68Å
334A97.8Very high97.6Very high24 Ų2456.3 Ų56.320%0.19832%0.323CS..  trans-74.4136.6174.400000112.6R192 D331 P337R192-A334 PolarHBondContact NH1-O 2.6Å; D331-A334 HydrophobicContact CB-CB 3.84Å; D331-A334 PolarHBondContact OD1-N 2.94Å; A334-P337 HydrophobicContact CB-CB 4.26Å; A334-P337 HydrophobicContact CB-CG 4.13Å
335N95.9Very high97.4Very high62 Ų6260 Ų6033%0.33234%0.337SS..SBendtrans-135.680.8-176.7-74.9-88.3000112W306 H333W306-N335 HydrophobicContact CH2-CB 4.46Å; W306-N335 VanDerWaalsContact CZ3-OD1 3.31Å; W306-N335 WeakPolarHBondContact CZ3-OD1 3.34Å; H333-N335 PolarHBondContact O-ND2 2.68Å
336P94.8Very high97.4Very high55 Ų5560 Ų6036%0.35734%0.337SS..SBendcis-89.5167.6-1.235.6-31000112.7W306 V307 Y339W306-P336 HydrophobicContact CH2-CB 4.48Å; W306-P336 HydrophobicContact CZ2-CB 3.79Å; V307-P336 HydrophobicContact CG2-CB 3.59Å; V307-P336 HydrophobicContact CG2-CG 3.72Å; P336-Y339 HydrophobicContact CB-CE2 4.07Å
337P92.4Very high97.3Very high16 Ų1660 Ų6010%0.10433%0.331CS..  trans-58.7155.5159.4-17.930.1000111.7A334 Y339A334-P337 HydrophobicContact CB-CB 4.26Å; A334-P337 HydrophobicContact CB-CG 4.13Å; P337-Y339 HydrophobicContact CB-CD1 4.39Å; P337-Y339 HydrophobicContact CB-CE1 4.08Å; P337-Y339 HydrophobicContact CG-CE1 4.06Å; P337-Y339 PolarHBondContact O-N 3.4Å
338N96.1Very high97.3Very high141 Ų14157.2 Ų57.275%0.75433%0.326SS*.  trans-76.4102.6166.9-177.23.8000109.5G340N338-G340 VanDerWaalsContact C-N 3.28Å; N338-G340 PolarHBondContact O-N 3.5Å; N338-G340 PolarHBondContact OD1-N 2.66Å
339Y97.4Very high97.2Very high23 Ų2357.3 Ų57.39%0.0933%0.327CS..  trans-76.2-14.5178.9-57.1-60.4000113.5D190 E244 Q245 L248 L303 W306 Y330 P336 P337D190-Y339 HydrophobicContact CB-CE1 4.23Å; D190-Y339 PolarHBondContact OD2-OH 3.05Å; E244-Y339 HydrophobicContact CB-CD1 4.2Å; E244-Y339 HydrophobicContact CB-CG 4.2Å; E244-Y339 HydrophobicContact CG-CD1 3.72Å; E244-Y339 HydrophobicContact CG-CD2 4.4Å; E244-Y339 HydrophobicContact CG-CE1 4.05Å; E244-Y339 HydrophobicContact CG-CG 3.91Å; Q245-Y339 PolarHBondContact NE2-O 3.36Å; L248-Y339 WeakPolarHBondContact CD1-O 3.18Å; L303-Y339 HydrophobicContact CB-CD2 4.38Å; W306-Y339 PolarHBondContact NE1-OH 3.49Å; W306-Y339 VanDerWaalsContact NE1-OH 3.12Å; Y330-Y339 AromaticContact CD1-CE1 3.97Å; Y330-Y339 HydrophobicContact CD1-CE1 3.97Å; Y330-Y339 HydrophobicContact CE1-CD1 4.46Å; Y330-Y339 HydrophobicContact CE1-CE1 4.11Å; P336-Y339 HydrophobicContact CB-CE2 4.07Å; P337-Y339 HydrophobicContact CB-CD1 4.39Å; P337-Y339 HydrophobicContact CB-CE1 4.08Å; P337-Y339 HydrophobicContact CG-CE1 4.06Å; P337-Y339 PolarHBondContact O-N 3.4Å
340G97.3Very high97.2Very high31 Ų3154.5 Ų54.532%0.3230%0.296SS..  trans117.3-179.1-17400000113N338N338-G340 VanDerWaalsContact C-N 3.28Å; N338-G340 PolarHBondContact O-N 3.5Å; N338-G340 PolarHBondContact OD1-N 2.66Å
341Q97.9Very high97.1Very high148 Ų14860.9 Ų60.969%0.69232%0.32SS*.  trans-109135.2179.5-65.3-62.7-22.100110.2H249H249-Q341 PolarHBondContact CE1-O 3.39Å
342P98.1Very high96.9Very high26 Ų2661.1 Ų61.117%0.16932%0.315CS..  trans-71.1151.1-17726-32.9000112.6L248 V300 V346 L347L248-P342 HydrophobicContact CD2-CB 3.81Å; L248-P342 HydrophobicContact CD2-CG 4.31Å; V300-P342 HydrophobicContact CG1-CB 4.12Å; P342-V346 HydrophobicContact CB-CB 4.12Å; P342-V346 HydrophobicContact CB-CG1 4.1Å; P342-L347 HydrophobicContact CB-CD2 4.31Å; P342-L347 HydrophobicContact CB-CG 4.23Å; P342-L347 HydrophobicContact CG-CD1 4.23Å; P342-L347 HydrophobicContact CG-CD2 3.42Å; P342-L347 VanDerWaalsContact CG-CD2 3.42Å; P342-L347 HydrophobicContact CG-CG 3.68Å
343D98.3Very high96.8Very high52 Ų5261.1 Ų61.128%0.27832%0.315SS..  trans-61.5149.4166.9-65.5-16.1000110.7L248 H249 R345 V346 L347L248-D343 PolarHBondContact O-N 3.28Å; H249-D343 WeakPolarHBondContact CA-OD2 3.41Å; H249-D343 IonicContact CE1-OD1 3.28Å; H249-D343 IonicContact CG-OD1 3.74Å; H249-D343 IonicContact ND1-OD1 2.62Å; H249-D343 PolarHBondContact ND1-OD1 3.49Å; H249-D343 IonicContact ND1-OD2 2.62Å; D343-R345 VanDerWaalsContact C-N 3.26Å; D343-R345 PolarHBondContact O-N 3.39Å; D343-R345 VanDerWaalsContact O-N 3.16Å; D343-V346 HydrophobicContact CB-CG2 4.37Å; D343-V346 WeakPolarHBondContact O-CB 3.35Å; D343-V346 PolarHBondContact O-N 3.14Å; D343-L347 PolarHBondContact O-N 2.95Å
344P98Very high96.5Very high97 Ų9762.9 Ų62.963%0.6332%0.317SS*.Hα-helixtrans-52.6-40.6-178.9-29.135.7000114.1V346 L347 D348P344-V346 VanDerWaalsContact C-N 3.27Å; P344-V346 PolarHBondContact O-N 3.34Å; P344-L347 WeakPolarHBondContact O-CB 3.38Å; P344-L347 PolarHBondContact O-N 2.89Å; P344-L347 VanDerWaalsContact O-N 3.11Å; P344-D348 PolarHBondContact O-N 3.1Å
345R95.9Very high96.3Very high77 Ų7768.9 Ų68.929%0.29134%0.339SS..Hα-helixtrans-58.5-37.5177.4-179.2177.8171166.30.9112.6L270 H271 D343 D348 N349L270-R345 PolarHBondContact O-NH2 3.03Å; H271-R345 PolarHBondContact CD2-NH2 3.27Å; H271-R345 PolarHBondContact CE1-NH2 3Å; H271-R345 PolarHBondContact NE2-NH2 3.42Å; D343-R345 VanDerWaalsContact C-N 3.26Å; D343-R345 PolarHBondContact O-N 3.39Å; D343-R345 VanDerWaalsContact O-N 3.16Å; R345-D348 PolarHBondContact O-N 2.69Å; R345-N349 PolarHBondContact O-N 3.05Å
346V97.9Very high96.1Very high0 Ų068.1 Ų68.10%035%0.346CS..Hα-helixtrans-71.2-36.6178.7177.40000110.9V247 P250 V300 P342 D343 P344 D348 N349 T350V247-V346 WeakPolarHBondContact O-CG1 3.14Å; V247-V346 WeakPolarHBondContact O-CG2 3.06Å; P250-V346 VanDerWaalsContact CD-CG2 3.45Å; P250-V346 HydrophobicContact CG-CG2 3.69Å; V300-V346 HydrophobicContact CG1-CG1 3.58Å; P342-V346 HydrophobicContact CB-CB 4.12Å; P342-V346 HydrophobicContact CB-CG1 4.1Å; D343-V346 HydrophobicContact CB-CG2 4.37Å; D343-V346 WeakPolarHBondContact O-CB 3.35Å; D343-V346 PolarHBondContact O-N 3.14Å; P344-V346 VanDerWaalsContact C-N 3.27Å; P344-V346 PolarHBondContact O-N 3.34Å; V346-D348 VanDerWaalsContact C-N 3.32Å; V346-N349 PolarHBondContact O-N 2.99Å; V346-T350 WeakPolarHBondContact O-CB 3.43Å; V346-T350 PolarHBondContact O-N 3.12Å; V346-T350 PolarHBondContact O-OG1 3.27Å
347L97.4Very high95.8Very high68 Ų6870 Ų7036%0.35635%0.35SS..Hα-helixtrans-62.2-42.6172.6-68.9173.3000110.9P342 D343 P344 T350 R351P342-L347 HydrophobicContact CB-CD2 4.31Å; P342-L347 HydrophobicContact CB-CG 4.23Å; P342-L347 HydrophobicContact CG-CD1 4.23Å; P342-L347 HydrophobicContact CG-CD2 3.42Å; P342-L347 VanDerWaalsContact CG-CD2 3.42Å; P342-L347 HydrophobicContact CG-CG 3.68Å; D343-L347 PolarHBondContact O-N 2.95Å; P344-L347 WeakPolarHBondContact O-CB 3.38Å; P344-L347 PolarHBondContact O-N 2.89Å; P344-L347 VanDerWaalsContact O-N 3.11Å; L347-T350 WeakPolarHBondContact O-CB 3.45Å; L347-T350 PolarHBondContact O-N 3.15Å; L347-R351 WeakPolarHBondContact O-CG 3.32Å; L347-R351 PolarHBondContact O-N 3.47Å
348D97.3Very high95.5Very high76 Ų7671.6 Ų71.641%0.40636%0.355SS..Hα-helixtrans-65.4-44.7176.6-70.4-26.5000112.3P344 R345 V346 T350 R351 R352P344-D348 PolarHBondContact O-N 3.1Å; R345-D348 PolarHBondContact O-N 2.69Å; V346-D348 VanDerWaalsContact C-N 3.32Å; D348-T350 VanDerWaalsContact C-N 3.26Å; D348-T350 PolarHBondContact O-N 3.48Å; D348-R351 WeakPolarHBondContact O-CB 3.41Å; D348-R351 PolarHBondContact O-N 3.47Å; D348-R351 IonicContact OD1-CZ 3.27Å; D348-R351 IonicContact OD1-NH1 3.32Å; D348-R351 PolarHBondContact OD1-NH1 3.48Å; D348-R352 WeakPolarHBondContact O-CG 3.48Å; D348-R352 PolarHBondContact O-N 3.36Å
349N97.6Very high94.7Very high11 Ų1171.2 Ų71.26%0.05935%0.349CS..Hα-helixtrans-56.1-43.4171.6-75.1-8.6000111.7P297 V298 R345 V346 R351 R352 V353P297-N349 HydrophobicContact CB-CB 4.02Å; P297-N349 HydrophobicContact CG-CB 4.09Å; V298-N349 WeakPolarHBondContact O-CB 2.95Å; V298-N349 PolarHBondContact O-ND2 3.35Å; R345-N349 PolarHBondContact O-N 3.05Å; V346-N349 PolarHBondContact O-N 2.99Å; N349-R351 PolarHBondContact O-N 3.3Å; N349-R352 WeakPolarHBondContact O-CB 3.25Å; N349-R352 PolarHBondContact O-N 2.97Å; N349-V353 WeakPolarHBondContact O-CG2 3.27Å; N349-V353 PolarHBondContact O-N 3.19Å
350T97.1Very high94Very high12 Ų1273.9 Ų73.97%0.07436%0.364CS..Hα-helixtrans-64.1-41.6178.7-570000111.2N299 V300 E301 V346 L347 D348 V353 Y354N299-T350 WeakPolarHBondContact CA-OG1 3.37Å; N299-T350 WeakPolarHBondContact CB-OG1 3.34Å; V300-T350 HydrophobicContact CG2-CG2 4.11Å; V300-T350 PolarHBondContact N-OG1 3Å; E301-T350 HydrophobicContact CG-CG2 4.43Å; V346-T350 WeakPolarHBondContact O-CB 3.43Å; V346-T350 PolarHBondContact O-N 3.12Å; V346-T350 PolarHBondContact O-OG1 3.27Å; L347-T350 WeakPolarHBondContact O-CB 3.45Å; L347-T350 PolarHBondContact O-N 3.15Å; D348-T350 VanDerWaalsContact C-N 3.26Å; D348-T350 PolarHBondContact O-N 3.48Å; T350-V353 PolarHBondContact O-N 3.38Å; T350-Y354 HydrophobicContact CG2-CD2 3.95Å; T350-Y354 HydrophobicContact CG2-CE2 3.57Å; T350-Y354 WeakPolarHBondContact O-CD2 3.4Å; T350-Y354 PolarHBondContact O-N 2.97Å
351R97Very high93Very high143 Ų14373.2 Ų73.254%0.5435%0.354SS..Hα-helixtrans-61.7-44.5173.8-68.6167.9-167.8163.7-3.3111.9L347 D348 N349 V353 Y354 K355L347-R351 WeakPolarHBondContact O-CG 3.32Å; L347-R351 PolarHBondContact O-N 3.47Å; D348-R351 WeakPolarHBondContact O-CB 3.41Å; D348-R351 PolarHBondContact O-N 3.47Å; D348-R351 IonicContact OD1-CZ 3.27Å; D348-R351 IonicContact OD1-NH1 3.32Å; D348-R351 PolarHBondContact OD1-NH1 3.48Å; N349-R351 PolarHBondContact O-N 3.3Å; R351-V353 VanDerWaalsContact C-N 3.31Å; R351-V353 PolarHBondContact O-N 2.94Å; R351-Y354 PolarHBondContact O-N 2.87Å; R351-K355 WeakPolarHBondContact O-CG 3.43Å; R351-K355 PolarHBondContact O-N 3.08Å
352R95.3Very high92Very high84 Ų8471.3 Ų71.332%0.31735%0.349SS..Hα-helixtrans-57.6-44.9175.5-71.9172.359.7-159.8-0.3111.1D348 N349 Y354 K355 G356 E357D348-R352 WeakPolarHBondContact O-CG 3.48Å; D348-R352 PolarHBondContact O-N 3.36Å; N349-R352 WeakPolarHBondContact O-CB 3.25Å; N349-R352 PolarHBondContact O-N 2.97Å; R352-Y354 PolarHBondContact O-N 2.95Å; R352-K355 CarbonylContact O-C 3.5Å; R352-K355 PolarHBondContact O-N 3.23Å; R352-K355 VanDerWaalsContact O-N 3.15Å; R352-G356 PolarHBondContact O-N 2.76Å; R352-G356 VanDerWaalsContact O-N 3.15Å; R352-E357 HydrophobicContact CB-CB 4.11Å; R352-E357 WeakPolarHBondContact O-CB 3.46Å; R352-E357 PolarHBondContact O-N 2.92Å
353V94.9Very high90.9Very high8 Ų871.4 Ų71.45%0.04835%0.347CS..Hα-helixtrans-61-43.4176.7174.50000111.8K296 P297 N299 E301 N349 T350 R351 K355 G356 F358K296-V353 HydrophobicContact CB-CG2 3.99Å; K296-V353 HydrophobicContact CD-CG1 3.75Å; K296-V353 HydrophobicContact CD-CG2 4.48Å; K296-V353 HydrophobicContact CG-CG1 4.44Å; K296-V353 HydrophobicContact CG-CG2 4.45Å; P297-V353 HydrophobicContact CG-CG2 3.78Å; N299-V353 HydrophobicContact CB-CG2 4.43Å; E301-V353 WeakPolarHBondContact OE1-CG1 3.31Å; N349-V353 WeakPolarHBondContact O-CG2 3.27Å; N349-V353 PolarHBondContact O-N 3.19Å; T350-V353 PolarHBondContact O-N 3.38Å; R351-V353 VanDerWaalsContact C-N 3.31Å; R351-V353 PolarHBondContact O-N 2.94Å; V353-K355 VanDerWaalsContact C-N 3.27Å; V353-K355 PolarHBondContact O-N 3.27Å; V353-G356 PolarHBondContact O-N 2.89Å; V353-F358 HydrophobicContact CG1-CE1 4.38Å
354Y92.9Very high89.7Confident166 Ų16670.1 Ų70.165%0.65134%0.34SS*.Hα-helixtrans-62.5-32.9175.9-79.8-59.7000113.4E301 T350 R351 R352 G356E301-Y354 HydrophobicContact CG-CE1 4.45Å; E301-Y354 HydrophobicContact CG-CE2 4.41Å; T350-Y354 HydrophobicContact CG2-CD2 3.95Å; T350-Y354 HydrophobicContact CG2-CE2 3.57Å; T350-Y354 WeakPolarHBondContact O-CD2 3.4Å; T350-Y354 PolarHBondContact O-N 2.97Å; R351-Y354 PolarHBondContact O-N 2.87Å; R352-Y354 PolarHBondContact O-N 2.95Å; Y354-G356 PolarHBondContact O-N 3.49Å
355K93.6Very high88.5Confident150 Ų15069.9 Ų69.965%0.65233%0.329SS*.THydrogen-bonded Turntrans-78.1-4.9173.8-66-179.3-176.4-179.60113.7R351 R352 V353 E357R351-K355 WeakPolarHBondContact O-CG 3.43Å; R351-K355 PolarHBondContact O-N 3.08Å; R352-K355 CarbonylContact O-C 3.5Å; R352-K355 PolarHBondContact O-N 3.23Å; R352-K355 VanDerWaalsContact O-N 3.15Å; V353-K355 VanDerWaalsContact C-N 3.27Å; V353-K355 PolarHBondContact O-N 3.27Å; K355-E357 VanDerWaalsContact C-N 3.29Å; K355-E357 HydrophobicContact CB-CG 3.76Å; K355-E357 WeakPolarHBondContact CD-OE1 3.47Å; K355-E357 IonicContact NZ-OE1 3.99Å
356G90.1Very high87.2Confident46 Ų4670.9 Ų70.947%0.47434%0.337SS..THydrogen-bonded Turntrans75.216.2-174.400000113.9R352 V353 Y354 F358R352-G356 PolarHBondContact O-N 2.76Å; R352-G356 VanDerWaalsContact O-N 3.15Å; V353-G356 PolarHBondContact O-N 2.89Å; Y354-G356 PolarHBondContact O-N 3.49Å; G356-F358 VanDerWaalsContact C-N 3.27Å; G356-F358 PolarHBondContact O-N 3.28Å
357E90.1Very high85.5Confident94 Ų9475.1 Ų75.144%0.43936%0.356SS..  trans-84.761.1-175.6-64.1170.8-175.800111.7R352 K355R352-E357 HydrophobicContact CB-CB 4.11Å; R352-E357 WeakPolarHBondContact O-CB 3.46Å; R352-E357 PolarHBondContact O-N 2.92Å; K355-E357 VanDerWaalsContact C-N 3.29Å; K355-E357 HydrophobicContact CB-CG 3.76Å; K355-E357 WeakPolarHBondContact CD-OE1 3.47Å; K355-E357 IonicContact NZ-OE1 3.99Å
358F85.8Confident83.8Confident50 Ų5074.1 Ų74.122%0.21936%0.355CS..SBendtrans-138.7152.317356.8-88.8000110.9I295 K296 V353 G356 L360I295-F358 HydrophobicContact CD1-CD2 4.44Å; I295-F358 HydrophobicContact CD1-CE2 4.12Å; K296-F358 HydrophobicContact CG-CD1 4.3Å; K296-F358 HydrophobicContact CG-CD2 4.07Å; K296-F358 HydrophobicContact CG-CE1 4.37Å; K296-F358 HydrophobicContact CG-CE2 4.15Å; K296-F358 HydrophobicContact CG-CG 4.15Å; K296-F358 HydrophobicContact CG-CZ 4.3Å; V353-F358 HydrophobicContact CG1-CE1 4.38Å; G356-F358 VanDerWaalsContact C-N 3.27Å; G356-F358 PolarHBondContact O-N 3.28Å; F358-L360 HydrophobicContact CE2-CD2 4.36Å; F358-L360 HydrophobicContact CE2-CG 4.45Å; F358-L360 PolarHBondContact O-N 3.22Å
359Q79.9Confident82Confident134 Ų13476.9 Ų76.963%0.62637%0.366SS*.PPolyproline II helixtrans-79.1122.7-178.2-64.4-173.83.100110P361Q359-P361 WeakPolarHBondContact O-CD 3.37Å
360L81.1Confident80.1Confident79 Ų7983 Ų8341%0.41440%0.396SS..PPolyproline II helixtrans-79.3124.1165.7-77.6161000108.3I295 F358 L364 K365I295-L360 HydrophobicContact CD1-CD2 3.74Å; F358-L360 HydrophobicContact CE2-CD2 4.36Å; F358-L360 HydrophobicContact CE2-CG 4.45Å; F358-L360 PolarHBondContact O-N 3.22Å; L360-L364 HydrophobicContact CD2-CB 4.32Å; L360-K365 HydrophobicContact CB-CG 3.94Å; L360-K365 WeakPolarHBondContact O-CE 3.31Å; L360-K365 PolarHBondContact O-NZ 3.34Å
361P77.6Confident78.2Confident16 Ų1687.9 Ų87.910%0.10442%0.418CS..PPolyproline II helixtrans-57.5145.9168.8-2434000110.9I276 I295 Q359 F363 L364 K365I276-P361 HydrophobicContact CB-CG 4.43Å; I276-P361 HydrophobicContact CG2-CB 4.22Å; I276-P361 HydrophobicContact CG2-CG 3.61Å; I295-P361 HydrophobicContact CB-CG 4.44Å; I295-P361 HydrophobicContact CG2-CG 3.56Å; Q359-P361 WeakPolarHBondContact O-CD 3.37Å; P361-F363 HydrophobicContact CB-CD1 3.51Å; P361-F363 HydrophobicContact CB-CE1 3.2Å; P361-F363 HydrophobicContact CB-CE2 4.38Å; P361-F363 HydrophobicContact CB-CG 4.21Å; P361-F363 HydrophobicContact CB-CZ 3.68Å; P361-F363 HydrophobicContact CG-CE1 3.91Å; P361-F363 HydrophobicContact CG-CZ 3.97Å; P361-F363 PolarHBondContact O-N 3.05Å; P361-F363 VanDerWaalsContact O-N 3.12Å; P361-L364 PolarHBondContact O-N 3.4Å; P361-K365 PolarHBondContact O-N 3.49Å
362D77.2Confident76.3Confident108 Ų10887.3 Ų87.358%0.57842%0.419SS*.Hα-helixtrans-56.3-36.4-173.8-65.5-30.8000112.6L364 K365 E366D362-L364 VanDerWaalsContact C-N 3.28Å; D362-L364 PolarHBondContact O-N 2.96Å; D362-K365 WeakPolarHBondContact O-CB 3.34Å; D362-K365 PolarHBondContact O-N 2.98Å; D362-K365 VanDerWaalsContact O-N 3.08Å; D362-K365 IonicContact OD1-NZ 2.76Å; D362-K365 PolarHBondContact OD1-NZ 3.44Å; D362-E366 PolarHBondContact O-N 3.07Å; D362-E366 VanDerWaalsContact O-N 3.09Å
363F74.7Confident74.4Confident28 Ų2886.8 Ų86.812%0.12343%0.428CS..Hα-helixtrans-63.3-27.4176.365.2-100.2000115.4L284 R286 T291 P361L284-F363 HydrophobicContact CB-CZ 4.06Å; R286-F363 HydrophobicContact CB-CD2 4.45Å; R286-F363 HydrophobicContact CG-CB 4.4Å; R286-F363 HydrophobicContact CG-CD2 3.61Å; R286-F363 HydrophobicContact CG-CE2 4.08Å; R286-F363 HydrophobicContact CG-CG 4.2Å; R286-F363 VanDerWaalsContact NE-CB 3.31Å; T291-F363 HydrophobicContact CG2-CE2 3.97Å; T291-F363 HydrophobicContact CG2-CZ 4.18Å; P361-F363 HydrophobicContact CB-CD1 3.51Å; P361-F363 HydrophobicContact CB-CE1 3.2Å; P361-F363 HydrophobicContact CB-CE2 4.38Å; P361-F363 HydrophobicContact CB-CG 4.21Å; P361-F363 HydrophobicContact CB-CZ 3.68Å; P361-F363 HydrophobicContact CG-CE1 3.91Å; P361-F363 HydrophobicContact CG-CZ 3.97Å; P361-F363 PolarHBondContact O-N 3.05Å; P361-F363 VanDerWaalsContact O-N 3.12Å
364L72.6Confident72.5Confident26 Ų2690.6 Ų90.614%0.13646%0.46CS..Hα-helixtrans-84.3-27.7174-68.6-176.3000111.7T291 I295 L360 P361 D362 Q367 S368T291-L364 HydrophobicContact CG2-CD1 4.4Å; I295-L364 HydrophobicContact CD1-CD1 3.72Å; I295-L364 HydrophobicContact CG2-CD1 4.02Å; L360-L364 HydrophobicContact CD2-CB 4.32Å; P361-L364 PolarHBondContact O-N 3.4Å; D362-L364 VanDerWaalsContact C-N 3.28Å; D362-L364 PolarHBondContact O-N 2.96Å; L364-Q367 PolarHBondContact O-N 2.92Å; L364-S368 PolarHBondContact O-N 3.28Å; L364-S368 VanDerWaalsContact O-N 3.08Å
365K73.1Confident70.5Confident92 Ų9290.2 Ų90.240%0.447%0.465SS..Hα-helixtrans-62.6-46.2172.5-63178.2-174.2146.50110.5L360 P361 D362 Q367 S368 Q369L360-K365 HydrophobicContact CB-CG 3.94Å; L360-K365 WeakPolarHBondContact O-CE 3.31Å; L360-K365 PolarHBondContact O-NZ 3.34Å; P361-K365 PolarHBondContact O-N 3.49Å; D362-K365 WeakPolarHBondContact O-CB 3.34Å; D362-K365 PolarHBondContact O-N 2.98Å; D362-K365 VanDerWaalsContact O-N 3.08Å; D362-K365 IonicContact OD1-NZ 2.76Å; D362-K365 PolarHBondContact OD1-NZ 3.44Å; K365-Q367 VanDerWaalsContact C-N 3.35Å; K365-Q367 PolarHBondContact O-N 3.4Å; K365-S368 PolarHBondContact O-N 3.03Å; K365-Q369 WeakPolarHBondContact O-CG 3.47Å; K365-Q369 PolarHBondContact O-N 3.38Å
366E67.7Low68.3Low98 Ų9892.4 Ų92.446%0.45847%0.469SS..Hα-helixtrans-56.5-46.5176.3-70.3171.7176.200111.8R286 D362 S368 Q369 M370R286-E366 IonicContact CZ-OE2 3.94Å; R286-E366 IonicContact NH1-OE2 3.93Å; R286-E366 PolarHBondContact NH1-OE2 3.28Å; R286-E366 IonicContact NH2-OE2 2.86Å; D362-E366 PolarHBondContact O-N 3.07Å; D362-E366 VanDerWaalsContact O-N 3.09Å; E366-S368 PolarHBondContact O-N 2.99Å; E366-Q369 PolarHBondContact O-N 3.41Å; E366-M370 WeakPolarHBondContact O-CG 3.5Å; E366-M370 PolarHBondContact O-N 3Å
367Q63Low66.4Low88 Ų8895.8 Ų95.841%0.41148%0.483SS..Hα-helixtrans-66-39.9-179.2-166.9175.910.800112.4L364 K365 Q369 M370 Q371L364-Q367 PolarHBondContact O-N 2.92Å; K365-Q367 VanDerWaalsContact C-N 3.35Å; K365-Q367 PolarHBondContact O-N 3.4Å; Q367-Q369 VanDerWaalsContact C-N 3.31Å; Q367-Q369 PolarHBondContact O-N 3.06Å; Q367-M370 PolarHBondContact O-N 2.99Å; Q367-Q371 WeakPolarHBondContact O-CB 3.41Å; Q367-Q371 WeakPolarHBondContact O-CG 3.34Å; Q367-Q371 PolarHBondContact O-N 2.61Å
368S60.9Low64.3Low48 Ų4898.7 Ų98.734%0.33650%0.501SS..Hα-helixtrans-64.1-37.7175-1730000111.6L364 K365 E366 K372L364-S368 PolarHBondContact O-N 3.28Å; L364-S368 VanDerWaalsContact O-N 3.08Å; K365-S368 PolarHBondContact O-N 3.03Å; E366-S368 PolarHBondContact O-N 2.99Å; S368-K372 WeakPolarHBondContact O-CB 3.45Å; S368-K372 VanDerWaalsContact O-CG 3.23Å; S368-K372 WeakPolarHBondContact O-CG 3.49Å; S368-K372 PolarHBondContact O-N 3.36Å
369Q59.5Low62.6Low134 Ų134102.2 Ų102.263%0.62653%0.529SS*.Hα-helixtrans-68-43.4175.5-71.2175.61.700111.8K365 E366 Q367 K372 S373K365-Q369 WeakPolarHBondContact O-CG 3.47Å; K365-Q369 PolarHBondContact O-N 3.38Å; E366-Q369 PolarHBondContact O-N 3.41Å; Q367-Q369 VanDerWaalsContact C-N 3.31Å; Q367-Q369 PolarHBondContact O-N 3.06Å; Q369-K372 PolarHBondContact O-N 3.06Å; Q369-S373 PolarHBondContact O-N 3.41Å; Q369-S373 PolarHBondContact O-OG 3.06Å
370M58.2Low61Low138 Ų138105 Ų10568%0.6856%0.563SS**Hα-helixtrans-63.7-41176.9-72-176.785.300112.6E366 Q367 S373 A374E366-M370 WeakPolarHBondContact O-CG 3.5Å; E366-M370 PolarHBondContact O-N 3Å; Q367-M370 PolarHBondContact O-N 2.99Å; M370-S373 VanDerWaalsContact CA-OG 3.27Å; M370-S373 WeakPolarHBondContact CA-OG 3.44Å; M370-S373 PolarHBondContact O-N 3.47Å; M370-S373 PolarHBondContact O-OG 3.43Å; M370-A374 WeakPolarHBondContact O-CB 3.33Å; M370-A374 PolarHBondContact O-N 3.45Å
371Q57.6Low59.9Low115 Ų115106.3 Ų106.354%0.53757%0.57SS.*Hα-helixtrans-64-44.6174.2-78177.9-27.100111.5Q367 S373 A374 E375Q367-Q371 WeakPolarHBondContact O-CB 3.41Å; Q367-Q371 WeakPolarHBondContact O-CG 3.34Å; Q367-Q371 PolarHBondContact O-N 2.61Å; Q371-S373 VanDerWaalsContact C-N 3.28Å; Q371-S373 PolarHBondContact O-N 3.1Å; Q371-A374 PolarHBondContact O-N 3.36Å; Q371-A374 VanDerWaalsContact O-N 3.16Å; Q371-E375 PolarHBondContact O-N 3.19Å; Q371-E375 VanDerWaalsContact O-N 3.1Å
372K57.3Low59Low132 Ų132111 Ų11157%0.57460%0.595SS**Hα-helixtrans-64.8-28.6175.8-74.1174.9-178.3-179.60113.6S368 Q369S368-K372 WeakPolarHBondContact O-CB 3.45Å; S368-K372 VanDerWaalsContact O-CG 3.23Å; S368-K372 WeakPolarHBondContact O-CG 3.49Å; S368-K372 PolarHBondContact O-N 3.36Å; Q369-K372 PolarHBondContact O-N 3.06Å
373S54Low58Low73 Ų73111.2 Ų111.251%0.5160%0.596SS.*Hα-helixtrans-77.9-30173.253.10000113.2Q369 M370 Q371 E375Q369-S373 PolarHBondContact O-N 3.41Å; Q369-S373 PolarHBondContact O-OG 3.06Å; M370-S373 VanDerWaalsContact CA-OG 3.27Å; M370-S373 WeakPolarHBondContact CA-OG 3.44Å; M370-S373 PolarHBondContact O-N 3.47Å; M370-S373 PolarHBondContact O-OG 3.43Å; Q371-S373 VanDerWaalsContact C-N 3.28Å; Q371-S373 PolarHBondContact O-N 3.1Å; S373-E375 VanDerWaalsContact C-N 3.34Å
374A55.3Low57Low87 Ų87116.1 Ų116.172%0.71962%0.624SS**Hα-helixtrans-75.9-22176.100000113M370 Q371M370-A374 WeakPolarHBondContact O-CB 3.33Å; M370-A374 PolarHBondContact O-N 3.45Å; Q371-A374 PolarHBondContact O-N 3.36Å; Q371-A374 VanDerWaalsContact O-N 3.16Å
375E52Low56.1Low158 Ų158121.7 Ų121.774%0.73865%0.654SS**THydrogen-bonded Turntrans-88.5-2.4175.9-73.1177.2173.200113.9Q371 S373 P377Q371-E375 PolarHBondContact O-N 3.19Å; Q371-E375 VanDerWaalsContact O-N 3.1Å; S373-E375 VanDerWaalsContact C-N 3.34Å; E375-P377 WeakPolarHBondContact O-CD 3.34Å
376R46.1Very low54.9Low196 Ų196123.7 Ų123.774%0.7467%0.671SS**SBendtrans-76.2120.7170.9-71.8-174.4-168.8-170.12.9108.8N378R376-N378 PolarHBondContact O-N 3.39Å
377P50.3Low54Low118 Ų118125.5 Ų125.577%0.76669%0.686SS**PPolyproline II helixtrans-60.3138.9169.2-9.423.1000108.2E375E375-P377 WeakPolarHBondContact O-CD 3.34Å
378N45.4Very low53.3Low154 Ų154128.4 Ų128.482%0.82471%0.707SS**PPolyproline II helixtrans-51.3129.6168-86.9-17.1000108.4R376 S380R376-N378 PolarHBondContact O-N 3.39Å; N378-S380 PolarHBondContact O-N 3.42Å
379P51.1Low52.7Low125 Ų125135.1 Ų135.181%0.81274%0.738SS**PPolyproline II helixtrans-60.3125.7166.115-10000107
380S45.3Very low52.1Low191 Ų191135.2 Ų135.2100%1.33675%0.749SS**  trans-46.50-177.351.20000114.6N378N378-S380 PolarHBondContact O-N 3.42Å

Retrieved 380 of 380 residues in 83.8 ms (Link to these results)

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