A0A060YEY2_ONCMY Loading...

Exocyst complex component 7

Component of the exocyst complex involved in the docking of exocytic vesicles with fusion sites on the plasma membrane.

AlphaFold DB , UniProt , Accession A0A060YEY2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene exoc7, Length 709 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.5Very low57.3Low242 Ų242133 Ų133100%1.19272%0.719SS**  0156.30-74.9161.261.600108.6
2I52.8Low58.5Low151 Ų151137.6 Ų137.677%0.77472%0.718SS**  trans-57.1140158.1-73.1167000107.3
3P51.9Low59.8Low120 Ų120134.9 Ų134.978%0.77970%0.7SS**  -135.3170.364.235.6-16.6000117.7
4T55.3Low60.8Low127 Ų127133.4 Ų133.478%0.77969%0.692SS**  trans-131.595.3-176.1490000110.2
5E52.3Low61.9Low187 Ų187130.9 Ų130.987%0.87468%0.676SS**  trans-143.8142.6170-81.3-169.616000110.1
6D54.3Low63Low108 Ų108132 Ų13258%0.57868%0.677SS**  cis-144.4121.3-30-160.8-7.3000112S8D6-S8 PolarHBondContact O-N 3.14Å; D6-S8 WeakPolarHBondContact OD1-CB 3.48Å; D6-S8 PolarHBondContact OD1-N 3.21Å; D6-S8 WeakPolarHBondContact OD2-CB 2.94Å
7A58.9Low63.9Low81 Ų81130.9 Ų130.967%0.66967%0.666SS**THydrogen-bonded Turntrans-65.5-19.617000000112.6A9 R10 K11A7-A9 VanDerWaalsContact C-N 3.25Å; A7-A9 PolarHBondContact O-N 2.92Å; A7-R10 PolarHBondContact O-N 2.82Å; A7-R10 VanDerWaalsContact O-N 3.14Å; A7-K11 PolarHBondContact O-N 3.42Å
8S64.4Low64.7Low51 Ų51129.2 Ų129.236%0.35766%0.658SS.*Hα-helixtrans-49.7-40178.1-174.70000113.5D6 R10 K11 R12D6-S8 PolarHBondContact O-N 3.14Å; D6-S8 WeakPolarHBondContact OD1-CB 3.48Å; D6-S8 PolarHBondContact OD1-N 3.21Å; D6-S8 WeakPolarHBondContact OD2-CB 2.94Å; S8-R10 PolarHBondContact O-N 3.34Å; S8-K11 WeakPolarHBondContact O-CB 3.17Å; S8-K11 PolarHBondContact O-N 2.88Å; S8-K11 VanDerWaalsContact O-N 3.16Å; S8-R12 PolarHBondContact O-N 3.16Å
9A62.9Low65.6Low77 Ų77129.1 Ų129.164%0.63665%0.652SS**Hα-helixtrans-59.6-46.1179.700000112.3A7A7-A9 VanDerWaalsContact C-N 3.25Å; A7-A9 PolarHBondContact O-N 2.92Å
10R65.9Low66.4Low199 Ų199129.1 Ų129.175%0.75165%0.65SS**Hα-helixtrans-72.1-36.2173.6-77-175.7173.2174.7-1.4112.3A7 S8 R12 E13 I14A7-R10 PolarHBondContact O-N 2.82Å; A7-R10 VanDerWaalsContact O-N 3.14Å; S8-R10 PolarHBondContact O-N 3.34Å; R10-R12 VanDerWaalsContact C-N 3.32Å; R10-R12 PolarHBondContact O-N 3.06Å; R10-E13 PolarHBondContact O-N 3.46Å; R10-I14 WeakPolarHBondContact O-CD1 3.41Å; R10-I14 VanDerWaalsContact O-CG1 3.28Å; R10-I14 WeakPolarHBondContact O-CG1 3.41Å; R10-I14 PolarHBondContact O-N 3.46Å; R10-I14 VanDerWaalsContact O-N 3.1Å
11K71.9Confident67.1Low120 Ų120129.2 Ų129.252%0.52265%0.648SS.*Hα-helixtrans-58.3-45.1177.9-173-175.8163.8-173.70111A7 S8 I14 E15A7-K11 PolarHBondContact O-N 3.42Å; S8-K11 WeakPolarHBondContact O-CB 3.17Å; S8-K11 PolarHBondContact O-N 2.88Å; S8-K11 VanDerWaalsContact O-N 3.16Å; K11-I14 PolarHBondContact O-N 2.59Å; K11-E15 WeakPolarHBondContact CE-OE1 2.84Å; K11-E15 HydrophobicContact CG-CG 4.42Å; K11-E15 IonicContact NZ-OE1 2.66Å; K11-E15 PolarHBondContact NZ-OE1 3.46Å; K11-E15 WeakPolarHBondContact O-CB 3.38Å; K11-E15 WeakPolarHBondContact O-CG 3.47Å; K11-E15 PolarHBondContact O-N 3.42Å
12R72.2Confident69.1Low188 Ų188123.7 Ų123.771%0.70962%0.62SS**Hα-helixtrans-63.9-45.3-179.5-125.3176.1-177.51680.2113S8 R10 I14 E15 E16S8-R12 PolarHBondContact O-N 3.16Å; R10-R12 VanDerWaalsContact C-N 3.32Å; R10-R12 PolarHBondContact O-N 3.06Å; R12-I14 VanDerWaalsContact C-N 3.29Å; R12-I14 PolarHBondContact O-N 2.94Å; R12-E15 PolarHBondContact O-N 3.33Å; R12-E16 WeakPolarHBondContact O-CB 3.48Å; R12-E16 PolarHBondContact O-N 2.64Å
13E74.8Confident70.5Confident103 Ų103121.3 Ų121.348%0.48161%0.605SS.*Hα-helixtrans-63.4-37.1177.6-163.3-162.2150.800111.7R10 K17R10-E13 PolarHBondContact O-N 3.46Å; E13-K17 HydrophobicContact CG-CD 4.49Å; E13-K17 WeakPolarHBondContact O-CB 3.43Å; E13-K17 WeakPolarHBondContact O-CG 3.48Å; E13-K17 PolarHBondContact O-N 3.29Å; E13-K17 IonicContact OE1-NZ 3.13Å; E13-K17 PolarHBondContact OE1-NZ 2.87Å
14I74.5Confident72Confident113 Ų113119 Ų11958%0.57959%0.589SS**Hα-helixtrans-70.1-43.1175.4-67.5167.5000111R10 K11 R12 E16 L18R10-I14 WeakPolarHBondContact O-CD1 3.41Å; R10-I14 VanDerWaalsContact O-CG1 3.28Å; R10-I14 WeakPolarHBondContact O-CG1 3.41Å; R10-I14 PolarHBondContact O-N 3.46Å; R10-I14 VanDerWaalsContact O-N 3.1Å; K11-I14 PolarHBondContact O-N 2.59Å; R12-I14 VanDerWaalsContact C-N 3.29Å; R12-I14 PolarHBondContact O-N 2.94Å; I14-E16 VanDerWaalsContact C-N 3.33Å; I14-E16 PolarHBondContact O-N 3.1Å; I14-L18 WeakPolarHBondContact O-CB 3.28Å; I14-L18 PolarHBondContact O-N 3.28Å
15E77.2Confident73.2Confident97 Ų97118.2 Ų118.245%0.45358%0.579SS.*Hα-helixtrans-63.4-37176.7-76.3175.6151.300112.3K11 R12 K19K11-E15 WeakPolarHBondContact CE-OE1 2.84Å; K11-E15 HydrophobicContact CG-CG 4.42Å; K11-E15 IonicContact NZ-OE1 2.66Å; K11-E15 PolarHBondContact NZ-OE1 3.46Å; K11-E15 WeakPolarHBondContact O-CB 3.38Å; K11-E15 WeakPolarHBondContact O-CG 3.47Å; K11-E15 PolarHBondContact O-N 3.42Å; R12-E15 PolarHBondContact O-N 3.33Å; E15-K19 WeakPolarHBondContact O-CB 3.46Å; E15-K19 PolarHBondContact O-N 2.86Å
16E79.1Confident74.7Confident148 Ų148112.7 Ų112.769%0.69256%0.562SS**Hα-helixtrans-72.9-43.7178.7-167.6160.2-129.900112.2R12 I14 K19 Q20R12-E16 WeakPolarHBondContact O-CB 3.48Å; R12-E16 PolarHBondContact O-N 2.64Å; I14-E16 VanDerWaalsContact C-N 3.33Å; I14-E16 PolarHBondContact O-N 3.1Å; E16-K19 PolarHBondContact O-N 3.44Å; E16-Q20 PolarHBondContact O-N 2.99Å
17K77.9Confident76.2Confident114 Ų114113.6 Ų113.650%0.49656%0.561SS.*Hα-helixtrans-63.9-42.5171.8-77.8173174169.60112.3E13 K19 Q20 E21E13-K17 HydrophobicContact CG-CD 4.49Å; E13-K17 WeakPolarHBondContact O-CB 3.43Å; E13-K17 WeakPolarHBondContact O-CG 3.48Å; E13-K17 PolarHBondContact O-N 3.29Å; E13-K17 IonicContact OE1-NZ 3.13Å; E13-K17 PolarHBondContact OE1-NZ 2.87Å; K17-K19 VanDerWaalsContact C-N 3.31Å; K17-K19 PolarHBondContact O-N 3.16Å; K17-Q20 PolarHBondContact O-N 2.84Å; K17-Q20 VanDerWaalsContact O-N 3.16Å; K17-E21 PolarHBondContact O-N 3.02Å
18L79.1Confident77.3Confident100 Ų100114.3 Ų114.352%0.52455%0.552SS.*Hα-helixtrans-59.5-42.3175.4-178.266.5000111I14 E21 Q22I14-L18 WeakPolarHBondContact O-CB 3.28Å; I14-L18 PolarHBondContact O-N 3.28Å; L18-E21 PolarHBondContact O-N 2.68Å; L18-Q22 VanDerWaalsContact O-CB 3.26Å; L18-Q22 WeakPolarHBondContact O-CB 3.38Å; L18-Q22 PolarHBondContact O-N 3.32Å
19K81.8Confident78.3Confident126 Ų126120.3 Ų120.355%0.54857%0.567SS.*Hα-helixtrans-62.6-42.8174.3-175.8175.9179.4-72.50112.1E15 E16 K17 Q22 E23E15-K19 WeakPolarHBondContact O-CB 3.46Å; E15-K19 PolarHBondContact O-N 2.86Å; E16-K19 PolarHBondContact O-N 3.44Å; K17-K19 VanDerWaalsContact C-N 3.31Å; K17-K19 PolarHBondContact O-N 3.16Å; K19-Q22 WeakPolarHBondContact O-CB 3.47Å; K19-Q22 PolarHBondContact O-N 3.42Å; K19-E23 WeakPolarHBondContact CE-OE1 3.43Å; K19-E23 IonicContact NZ-OE1 2.59Å; K19-E23 PolarHBondContact NZ-OE1 3.34Å; K19-E23 IonicContact NZ-OE2 3.92Å; K19-E23 WeakPolarHBondContact O-CG 3.49Å; K19-E23 PolarHBondContact O-N 3.03Å
20Q82Confident79.4Confident130 Ų130121.1 Ų121.161%0.60756%0.558SS**Hα-helixtrans-67.7-38.9179.6-164.4172.132.800112.5E16 K17 T24E16-Q20 PolarHBondContact O-N 2.99Å; K17-Q20 PolarHBondContact O-N 2.84Å; K17-Q20 VanDerWaalsContact O-N 3.16Å; Q20-T24 WeakPolarHBondContact O-CB 3.28Å; Q20-T24 PolarHBondContact O-N 2.98Å; Q20-T24 PolarHBondContact O-OG1 2.86Å
21E79.8Confident80.3Confident132 Ų132114.6 Ų114.662%0.61754%0.538SS*.Hα-helixtrans-66.9-38.7170.5-73.3-168.7163.300111.9K17 L18 T24 L25K17-E21 PolarHBondContact O-N 3.02Å; L18-E21 PolarHBondContact O-N 2.68Å; E21-T24 PolarHBondContact O-N 2.72Å; E21-L25 VanDerWaalsContact O-CB 3.28Å; E21-L25 WeakPolarHBondContact O-CB 3.1Å; E21-L25 WeakPolarHBondContact O-CG 3.48Å; E21-L25 PolarHBondContact O-N 3.49Å
22Q81.8Confident80.9Confident126 Ų126114.9 Ų114.959%0.58954%0.543SS*.Hα-helixtrans-62.6-43.5176.3-160.778.810.600111.7L18 K19 S26L18-Q22 VanDerWaalsContact O-CB 3.26Å; L18-Q22 WeakPolarHBondContact O-CB 3.38Å; L18-Q22 PolarHBondContact O-N 3.32Å; K19-Q22 WeakPolarHBondContact O-CB 3.47Å; K19-Q22 PolarHBondContact O-N 3.42Å; Q22-S26 WeakPolarHBondContact O-CB 3.14Å; Q22-S26 PolarHBondContact O-N 2.97Å
23E83.6Confident81.5Confident100 Ų100111.3 Ų111.347%0.46753%0.534SS..Hα-helixtrans-64.4-46.2174.1-75.1172.7-173.800111K19 L25 S26 F27K19-E23 WeakPolarHBondContact CE-OE1 3.43Å; K19-E23 IonicContact NZ-OE1 2.59Å; K19-E23 PolarHBondContact NZ-OE1 3.34Å; K19-E23 IonicContact NZ-OE2 3.92Å; K19-E23 WeakPolarHBondContact O-CG 3.49Å; K19-E23 PolarHBondContact O-N 3.03Å; E23-L25 PolarHBondContact O-N 3.15Å; E23-S26 PolarHBondContact O-N 3.45Å; E23-S26 VanDerWaalsContact O-N 3.15Å; E23-S26 PolarHBondContact O-OG 2.86Å; E23-F27 PolarHBondContact O-N 2.91Å
24T81.8Confident82.1Confident73 Ų73110.8 Ų110.845%0.44853%0.53SS..Hα-helixtrans-63-40.7177.7-52.30000112.2Q20 E21 S26 F27 I28Q20-T24 WeakPolarHBondContact O-CB 3.28Å; Q20-T24 PolarHBondContact O-N 2.98Å; Q20-T24 PolarHBondContact O-OG1 2.86Å; E21-T24 PolarHBondContact O-N 2.72Å; T24-S26 VanDerWaalsContact C-N 3.34Å; T24-S26 PolarHBondContact O-N 3.01Å; T24-F27 PolarHBondContact O-N 3.32Å; T24-I28 HydrophobicContact CG2-CD1 3.95Å; T24-I28 WeakPolarHBondContact O-CB 3.26Å; T24-I28 WeakPolarHBondContact O-CG1 3.46Å; T24-I28 PolarHBondContact O-N 3.5Å
25L82.1Confident82.6Confident109 Ų109108.6 Ų108.657%0.57153%0.525SS*.Hα-helixtrans-63.3-37.9173.3-88.3166.3000112.2E21 E23 R29E21-L25 VanDerWaalsContact O-CB 3.28Å; E21-L25 WeakPolarHBondContact O-CB 3.1Å; E21-L25 WeakPolarHBondContact O-CG 3.48Å; E21-L25 PolarHBondContact O-N 3.49Å; E23-L25 PolarHBondContact O-N 3.15Å; L25-R29 WeakPolarHBondContact O-CB 3.26Å; L25-R29 PolarHBondContact O-N 2.62Å
26S83.4Confident83Confident72 Ų72107.2 Ų107.250%0.50352%0.52SS..Hα-helixtrans-64.7-45.6176.276.40000111.6Q22 E23 T24 R29 E30Q22-S26 WeakPolarHBondContact O-CB 3.14Å; Q22-S26 PolarHBondContact O-N 2.97Å; E23-S26 PolarHBondContact O-N 3.45Å; E23-S26 VanDerWaalsContact O-N 3.15Å; E23-S26 PolarHBondContact O-OG 2.86Å; T24-S26 VanDerWaalsContact C-N 3.34Å; T24-S26 PolarHBondContact O-N 3.01Å; S26-R29 PolarHBondContact O-N 3Å; S26-E30 WeakPolarHBondContact O-CB 3.45Å; S26-E30 PolarHBondContact O-N 3.49Å
27F85.9Confident83.3Confident126 Ų126106.2 Ų106.255%0.55352%0.516SS*.Hα-helixtrans-65.9-41.1176.7178.8-106.7000113.2E23 T24 E30 N31E23-F27 PolarHBondContact O-N 2.91Å; T24-F27 PolarHBondContact O-N 3.32Å; F27-E30 PolarHBondContact O-N 2.93Å; F27-N31 VanDerWaalsContact CE1-ND2 3.25Å; F27-N31 WeakPolarHBondContact CE1-ND2 3.49Å; F27-N31 VanDerWaalsContact CE2-ND2 3.26Å; F27-N31 WeakPolarHBondContact CE2-ND2 3.19Å; F27-N31 WeakPolarHBondContact CZ-ND2 3.33Å; F27-N31 WeakPolarHBondContact O-CB 3.11Å; F27-N31 PolarHBondContact O-N 3.4Å; F27-N31 PolarHBondContact O-ND2 2.9Å
28I82.3Confident83.7Confident97 Ų97106.9 Ų106.950%0.49752%0.524SS..Hα-helixtrans-66.1-41.1174.4-69.2171.7000110.3T24 N31 M32T24-I28 HydrophobicContact CG2-CD1 3.95Å; T24-I28 WeakPolarHBondContact O-CB 3.26Å; T24-I28 WeakPolarHBondContact O-CG1 3.46Å; T24-I28 PolarHBondContact O-N 3.5Å; I28-N31 PolarHBondContact O-N 2.88Å; I28-M32 VanDerWaalsContact O-CB 3.24Å; I28-M32 WeakPolarHBondContact O-CB 3.25Å; I28-M32 PolarHBondContact O-N 3.49Å
29R84.4Confident84Confident177 Ų177105.8 Ų105.867%0.66852%0.522SS*.Hα-helixtrans-61.9-47175.2-178.8-180-77-152.8-2.8111.4L25 S26 N31 M32 E33L25-R29 WeakPolarHBondContact O-CB 3.26Å; L25-R29 PolarHBondContact O-N 2.62Å; S26-R29 PolarHBondContact O-N 3Å; R29-N31 PolarHBondContact O-N 2.78Å; R29-M32 PolarHBondContact O-N 2.87Å; R29-E33 VanDerWaalsContact O-CB 3.3Å; R29-E33 WeakPolarHBondContact O-CB 3.29Å; R29-E33 PolarHBondContact O-N 3.25Å
30E86.9Confident84.2Confident94 Ų94105.7 Ų105.744%0.43952%0.521SS..Hα-helixtrans-62.3-41.9179-165.9-162.415900111.8S26 F27 E33 K34S26-E30 WeakPolarHBondContact O-CB 3.45Å; S26-E30 PolarHBondContact O-N 3.49Å; F27-E30 PolarHBondContact O-N 2.93Å; E30-E33 PolarHBondContact O-N 3.46Å; E30-K34 WeakPolarHBondContact O-CG 3.3Å; E30-K34 PolarHBondContact O-N 3.38Å; E30-K34 WeakPolarHBondContact OE1-CE 3.24Å; E30-K34 IonicContact OE1-NZ 3.46Å; E30-K34 PolarHBondContact OE1-NZ 2.9Å
31N84.6Confident84.5Confident61 Ų61101 Ų10133%0.32651%0.507SS..Hα-helixtrans-70.8-34.1175.9-73.3-45.9000112.8F27 I28 R29 E33 K34 S35F27-N31 VanDerWaalsContact CE1-ND2 3.25Å; F27-N31 WeakPolarHBondContact CE1-ND2 3.49Å; F27-N31 VanDerWaalsContact CE2-ND2 3.26Å; F27-N31 WeakPolarHBondContact CE2-ND2 3.19Å; F27-N31 WeakPolarHBondContact CZ-ND2 3.33Å; F27-N31 WeakPolarHBondContact O-CB 3.11Å; F27-N31 PolarHBondContact O-N 3.4Å; F27-N31 PolarHBondContact O-ND2 2.9Å; I28-N31 PolarHBondContact O-N 2.88Å; R29-N31 PolarHBondContact O-N 2.78Å; N31-E33 VanDerWaalsContact C-N 3.34Å; N31-K34 PolarHBondContact O-N 2.84Å; N31-S35 VanDerWaalsContact O-CB 3.29Å; N31-S35 WeakPolarHBondContact O-CB 3.34Å; N31-S35 PolarHBondContact O-N 2.82Å
32M84.6Confident84.9Confident127 Ų127100.6 Ų100.663%0.62651%0.507SS*.Hα-helixtrans-66.5-37.9172.4-172.2171.768.100111.2I28 R29 S35 D36I28-M32 VanDerWaalsContact O-CB 3.24Å; I28-M32 WeakPolarHBondContact O-CB 3.25Å; I28-M32 PolarHBondContact O-N 3.49Å; R29-M32 PolarHBondContact O-N 2.87Å; M32-S35 PolarHBondContact O-N 2.73Å; M32-D36 VanDerWaalsContact O-CB 3.3Å; M32-D36 WeakPolarHBondContact O-CB 3.32Å; M32-D36 PolarHBondContact O-N 3.41Å
33E85Confident85.1Confident112 Ų11298.8 Ų98.852%0.52351%0.505SS..Hα-helixtrans-69.4-38.5176-168.8160.1-146.500111.9R29 E30 N31 D36 Q37R29-E33 VanDerWaalsContact O-CB 3.3Å; R29-E33 WeakPolarHBondContact O-CB 3.29Å; R29-E33 PolarHBondContact O-N 3.25Å; E30-E33 PolarHBondContact O-N 3.46Å; N31-E33 VanDerWaalsContact C-N 3.34Å; E33-D36 PolarHBondContact O-N 3.47Å; E33-Q37 WeakPolarHBondContact O-CB 3.32Å; E33-Q37 VanDerWaalsContact O-CG 3.32Å; E33-Q37 WeakPolarHBondContact O-CG 3.47Å; E33-Q37 PolarHBondContact O-N 2.9Å
34K86Confident85.3Confident92 Ų9297.9 Ų97.940%0.451%0.509SS..Hα-helixtrans-64-40.3168.4-73.2167.7-176.6166.50112.6E30 N31 Q37 L38E30-K34 WeakPolarHBondContact O-CG 3.3Å; E30-K34 PolarHBondContact O-N 3.38Å; E30-K34 WeakPolarHBondContact OE1-CE 3.24Å; E30-K34 IonicContact OE1-NZ 3.46Å; E30-K34 PolarHBondContact OE1-NZ 2.9Å; N31-K34 PolarHBondContact O-N 2.84Å; K34-Q37 PolarHBondContact O-N 3.38Å; K34-L38 WeakPolarHBondContact O-CB 3.3Å; K34-L38 PolarHBondContact O-N 3.49Å
35S85.5Confident85.6Confident67 Ų6799.2 Ų99.247%0.46951%0.513SS..Hα-helixtrans-68-39.4177.6-168.20000111.7N31 M32 L38 T39N31-S35 VanDerWaalsContact O-CB 3.29Å; N31-S35 WeakPolarHBondContact O-CB 3.34Å; N31-S35 PolarHBondContact O-N 2.82Å; M32-S35 PolarHBondContact O-N 2.73Å; S35-L38 PolarHBondContact O-N 2.83Å; S35-T39 WeakPolarHBondContact O-CB 3.48Å; S35-T39 PolarHBondContact O-N 2.88Å; S35-T39 PolarHBondContact O-OG1 3.32Å
36D85Confident85.9Confident68 Ų6899 Ų9936%0.36451%0.511SS..Hα-helixtrans-65-41.7172.1171.360.5000111.8M32 E33 T39 K40M32-D36 VanDerWaalsContact O-CB 3.3Å; M32-D36 WeakPolarHBondContact O-CB 3.32Å; M32-D36 PolarHBondContact O-N 3.41Å; E33-D36 PolarHBondContact O-N 3.47Å; D36-T39 PolarHBondContact O-N 3.24Å; D36-K40 VanDerWaalsContact CG-NZ 3.28Å; D36-K40 WeakPolarHBondContact O-CB 3.48Å; D36-K40 VanDerWaalsContact O-CG 3.26Å; D36-K40 WeakPolarHBondContact O-CG 3.4Å; D36-K40 PolarHBondContact O-N 3.41Å; D36-K40 WeakPolarHBondContact OD1-CE 3.26Å; D36-K40 IonicContact OD1-NZ 2.64Å; D36-K40 PolarHBondContact OD1-NZ 2.86Å; D36-K40 VanDerWaalsContact OD1-NZ 3.14Å; D36-K40 WeakPolarHBondContact OD2-CE 3.33Å; D36-K40 IonicContact OD2-NZ 2.62Å; D36-K40 PolarHBondContact OD2-NZ 3.43Å
37Q85.7Confident86Confident127 Ų12798.7 Ų98.759%0.59351%0.509SS*.Hα-helixtrans-61.8-43.9171.4-75.7178.510.200112.7E33 K34 K40 G41E33-Q37 WeakPolarHBondContact O-CB 3.32Å; E33-Q37 VanDerWaalsContact O-CG 3.32Å; E33-Q37 WeakPolarHBondContact O-CG 3.47Å; E33-Q37 PolarHBondContact O-N 2.9Å; K34-Q37 PolarHBondContact O-N 3.38Å; Q37-K40 PolarHBondContact O-N 3.21Å; Q37-G41 PolarHBondContact O-N 2.82Å
38L85.9Confident86.1Confident129 Ų12995.5 Ų95.568%0.67550%0.503SS*.Hα-helixtrans-63.6-41.1174.6-83.3164.1000112.2K34 S35 G41 M42K34-L38 WeakPolarHBondContact O-CB 3.3Å; K34-L38 PolarHBondContact O-N 3.49Å; S35-L38 PolarHBondContact O-N 2.83Å; L38-G41 WeakPolarHBondContact O-CA 3.35Å; L38-G41 PolarHBondContact O-N 2.84Å; L38-M42 PolarHBondContact O-N 3.14Å
39T85.4Confident86.5Confident77 Ų7796.3 Ų96.347%0.47250%0.503SS..Hα-helixtrans-64.5-45176.6-57.70000110.7S35 D36 G41 M42 V43S35-T39 WeakPolarHBondContact O-CB 3.48Å; S35-T39 PolarHBondContact O-N 2.88Å; S35-T39 PolarHBondContact O-OG1 3.32Å; D36-T39 PolarHBondContact O-N 3.24Å; T39-G41 VanDerWaalsContact C-N 3.29Å; T39-G41 PolarHBondContact O-N 3.34Å; T39-M42 PolarHBondContact O-N 2.65Å; T39-V43 WeakPolarHBondContact O-CB 3.49Å; T39-V43 WeakPolarHBondContact O-CG2 3.32Å; T39-V43 PolarHBondContact O-N 2.88Å
40K86.1Confident86.6Confident123 Ų12394.5 Ų94.554%0.53550%0.502SS..Hα-helixtrans-61.1-36.8172.5-75.1165.2176.3166.10112D36 Q37 S44D36-K40 VanDerWaalsContact CG-NZ 3.28Å; D36-K40 WeakPolarHBondContact O-CB 3.48Å; D36-K40 VanDerWaalsContact O-CG 3.26Å; D36-K40 WeakPolarHBondContact O-CG 3.4Å; D36-K40 PolarHBondContact O-N 3.41Å; D36-K40 WeakPolarHBondContact OD1-CE 3.26Å; D36-K40 IonicContact OD1-NZ 2.64Å; D36-K40 PolarHBondContact OD1-NZ 2.86Å; D36-K40 VanDerWaalsContact OD1-NZ 3.14Å; D36-K40 WeakPolarHBondContact OD2-CE 3.33Å; D36-K40 IonicContact OD2-NZ 2.62Å; D36-K40 PolarHBondContact OD2-NZ 3.43Å; Q37-K40 PolarHBondContact O-N 3.21Å; K40-S44 VanDerWaalsContact O-CB 3.25Å; K40-S44 WeakPolarHBondContact O-CB 3.06Å; K40-S44 PolarHBondContact O-N 2.94Å
41G88.6Confident86.5Confident31 Ų3192.8 Ų92.832%0.3250%0.5SS..Hα-helixtrans-61.3-50.1171.500000112.6Q37 L38 T39 S44 I45Q37-G41 PolarHBondContact O-N 2.82Å; L38-G41 WeakPolarHBondContact O-CA 3.35Å; L38-G41 PolarHBondContact O-N 2.84Å; T39-G41 VanDerWaalsContact C-N 3.29Å; T39-G41 PolarHBondContact O-N 3.34Å; G41-S44 PolarHBondContact O-N 2.93Å; G41-I45 WeakPolarHBondContact O-CG1 3.25Å; G41-I45 PolarHBondContact O-N 2.86Å
42M88.3Confident86.8Confident124 Ų12497.1 Ų97.161%0.61151%0.512SS*.Hα-helixtrans-61.4-44.6174.9-86.9-173.563.600112.5L38 T39 S44 I45 L46L38-M42 PolarHBondContact O-N 3.14Å; T39-M42 PolarHBondContact O-N 2.65Å; M42-S44 VanDerWaalsContact C-N 3.32Å; M42-S44 PolarHBondContact O-N 3.46Å; M42-I45 PolarHBondContact O-N 2.82Å; M42-L46 WeakPolarHBondContact O-CB 3.3Å; M42-L46 VanDerWaalsContact O-CG 3.3Å; M42-L46 WeakPolarHBondContact O-CG 3.37Å; M42-L46 PolarHBondContact O-N 3.27Å
43V86.6Confident86.9Confident89 Ų8996.1 Ų96.154%0.53951%0.508SS..Hα-helixtrans-63.1-38.9177170.60000111.1T39 L46 S47T39-V43 WeakPolarHBondContact O-CB 3.49Å; T39-V43 WeakPolarHBondContact O-CG2 3.32Å; T39-V43 PolarHBondContact O-N 2.88Å; V43-L46 PolarHBondContact O-N 3.13Å; V43-S47 WeakPolarHBondContact O-CB 3.3Å; V43-S47 PolarHBondContact O-N 2.96Å
44S87.1Confident86.9Confident80 Ų8096.5 Ų96.556%0.55951%0.512SS*.Hα-helixtrans-65.2-42.1174.5-1780000112.4K40 G41 M42 S48K40-S44 VanDerWaalsContact O-CB 3.25Å; K40-S44 WeakPolarHBondContact O-CB 3.06Å; K40-S44 PolarHBondContact O-N 2.94Å; G41-S44 PolarHBondContact O-N 2.93Å; M42-S44 VanDerWaalsContact C-N 3.32Å; M42-S44 PolarHBondContact O-N 3.46Å; S44-S48 VanDerWaalsContact O-CB 3.24Å; S44-S48 WeakPolarHBondContact O-CB 3.41Å; S44-S48 PolarHBondContact O-N 3.31Å
45I88.6Confident86.9Confident102 Ų10297.9 Ų97.952%0.52352%0.52SS..Hα-helixtrans-66.3-44.5175.8-69.7166.9000110.9G41 M42 S48 F49G41-I45 WeakPolarHBondContact O-CG1 3.25Å; G41-I45 PolarHBondContact O-N 2.86Å; M42-I45 PolarHBondContact O-N 2.82Å; I45-S48 WeakPolarHBondContact O-CB 3.24Å; I45-S48 PolarHBondContact O-N 3.29Å; I45-F49 HydrophobicContact CG2-CD2 3.83Å; I45-F49 HydrophobicContact CG2-CE2 3.96Å; I45-F49 WeakPolarHBondContact O-CD2 3.33Å; I45-F49 PolarHBondContact O-N 2.79Å
46L87.9Confident86.9Confident103 Ų10399.2 Ų99.254%0.53952%0.521SS..Hα-helixtrans-65.2-45.2178.4-72.6169.4000111.6M42 V43 S48 F49 E50M42-L46 WeakPolarHBondContact O-CB 3.3Å; M42-L46 VanDerWaalsContact O-CG 3.3Å; M42-L46 WeakPolarHBondContact O-CG 3.37Å; M42-L46 PolarHBondContact O-N 3.27Å; V43-L46 PolarHBondContact O-N 3.13Å; L46-S48 VanDerWaalsContact C-N 3.29Å; L46-S48 PolarHBondContact O-N 2.86Å; L46-F49 CarbonylContact O-C 3.03Å; L46-F49 PolarHBondContact O-N 3.49Å; L46-F49 VanDerWaalsContact O-N 3.13Å; L46-E50 WeakPolarHBondContact O-CB 3.38Å; L46-E50 PolarHBondContact O-N 2.88Å
47S85.8Confident86.8Confident66 Ų66101.3 Ų101.346%0.46253%0.529SS..Hα-helixtrans-63.4-33.8174.6-1750000112.2V43 S51V43-S47 WeakPolarHBondContact O-CB 3.3Å; V43-S47 PolarHBondContact O-N 2.96Å; S47-S51 WeakPolarHBondContact O-CB 3.4Å; S47-S51 PolarHBondContact O-N 3.39Å
48S88.6Confident86.8Confident59 Ų59100.3 Ų100.341%0.41353%0.528SS..Hα-helixtrans-65.9-42.8170.8179.60000112.3S44 I45 L46 R52S44-S48 VanDerWaalsContact O-CB 3.24Å; S44-S48 WeakPolarHBondContact O-CB 3.41Å; S44-S48 PolarHBondContact O-N 3.31Å; I45-S48 WeakPolarHBondContact O-CB 3.24Å; I45-S48 PolarHBondContact O-N 3.29Å; L46-S48 VanDerWaalsContact C-N 3.29Å; L46-S48 PolarHBondContact O-N 2.86Å; S48-R52 VanDerWaalsContact O-CB 3.3Å; S48-R52 WeakPolarHBondContact O-CB 3.2Å; S48-R52 WeakPolarHBondContact O-CG 3.26Å; S48-R52 PolarHBondContact O-N 2.85Å
49F88.9Confident86.7Confident115 Ų11597.7 Ų97.750%0.50452%0.52SS..Hα-helixtrans-66.7-42.3174.4-92.1-73.7000112.7I45 L46 R52 L53I45-F49 HydrophobicContact CG2-CD2 3.83Å; I45-F49 HydrophobicContact CG2-CE2 3.96Å; I45-F49 WeakPolarHBondContact O-CD2 3.33Å; I45-F49 PolarHBondContact O-N 2.79Å; L46-F49 CarbonylContact O-C 3.03Å; L46-F49 PolarHBondContact O-N 3.49Å; L46-F49 VanDerWaalsContact O-N 3.13Å; F49-R52 PolarHBondContact O-N 2.77Å; F49-L53 VanDerWaalsContact O-CB 3.31Å; F49-L53 WeakPolarHBondContact O-CB 3.17Å; F49-L53 WeakPolarHBondContact O-CG 3.21Å; F49-L53 PolarHBondContact O-N 2.89Å
50E87.8Confident86.8Confident139 Ų13997.8 Ų97.865%0.6552%0.517SS*.Hα-helixtrans-63.6-46.3176.5-175.6173.9-148.100111L46 R52 L53 M54L46-E50 WeakPolarHBondContact O-CB 3.38Å; L46-E50 PolarHBondContact O-N 2.88Å; E50-R52 PolarHBondContact O-N 3.44Å; E50-L53 PolarHBondContact O-N 3.5Å; E50-M54 VanDerWaalsContact O-CB 3.29Å; E50-M54 WeakPolarHBondContact O-CB 3.19Å; E50-M54 PolarHBondContact O-N 2.89Å
51S84.9Confident86.8Confident57 Ų5796.4 Ų96.440%0.39951%0.514SS..Hα-helixtrans-60.9-42173.9-173.10000112.1S47 M54 Q55S47-S51 WeakPolarHBondContact O-CB 3.4Å; S47-S51 PolarHBondContact O-N 3.39Å; S51-M54 PolarHBondContact O-N 3.31Å; S51-Q55 WeakPolarHBondContact O-CB 3.4Å; S51-Q55 VanDerWaalsContact O-CG 3.26Å; S51-Q55 WeakPolarHBondContact O-CG 3.31Å; S51-Q55 PolarHBondContact O-N 3.34Å
52R89.6Confident86.7Confident152 Ų15298 Ų9857%0.57452%0.519SS*.Hα-helixtrans-70.3-36.3176.7-73.8173.666.6-163.4-0.1113S48 F49 E50 L56S48-R52 VanDerWaalsContact O-CB 3.3Å; S48-R52 WeakPolarHBondContact O-CB 3.2Å; S48-R52 WeakPolarHBondContact O-CG 3.26Å; S48-R52 PolarHBondContact O-N 2.85Å; F49-R52 PolarHBondContact O-N 2.77Å; E50-R52 PolarHBondContact O-N 3.44Å; R52-L56 WeakPolarHBondContact O-CB 3.27Å; R52-L56 PolarHBondContact O-N 2.78Å
53L87.8Confident86.6Confident106 Ų10696.3 Ų96.356%0.55552%0.515SS*.Hα-helixtrans-65.4-47.1172.8-84.6164.3000110.4F49 E50 Q55 L56 E57F49-L53 VanDerWaalsContact O-CB 3.31Å; F49-L53 WeakPolarHBondContact O-CB 3.17Å; F49-L53 WeakPolarHBondContact O-CG 3.21Å; F49-L53 PolarHBondContact O-N 2.89Å; E50-L53 PolarHBondContact O-N 3.5Å; L53-Q55 VanDerWaalsContact C-N 3.34Å; L53-Q55 PolarHBondContact O-N 3.15Å; L53-L56 CarbonylContact O-C 3.54Å; L53-L56 PolarHBondContact O-N 3Å; L53-L56 VanDerWaalsContact O-N 3.15Å; L53-E57 VanDerWaalsContact O-CB 3.24Å; L53-E57 WeakPolarHBondContact O-CB 3.29Å; L53-E57 PolarHBondContact O-N 2.9Å
54M85.6Confident86.6Confident121 Ų12198.2 Ų98.260%0.59652%0.518SS*.Hα-helixtrans-61.5-39.9176-170.2-174.8-170.400111.9E50 S51 N58E50-M54 VanDerWaalsContact O-CB 3.29Å; E50-M54 WeakPolarHBondContact O-CB 3.19Å; E50-M54 PolarHBondContact O-N 2.89Å; S51-M54 PolarHBondContact O-N 3.31Å; M54-N58 VanDerWaalsContact O-CB 3.27Å; M54-N58 WeakPolarHBondContact O-CB 3.38Å; M54-N58 PolarHBondContact O-N 2.71Å; M54-N58 PolarHBondContact O-ND2 3.07Å
55Q84.3Confident86.6Confident120 Ų120100.7 Ų100.756%0.56152%0.519SS*.Hα-helixtrans-65.2-42.4172.6-76.51744.300112.2S51 L53 S59S51-Q55 WeakPolarHBondContact O-CB 3.4Å; S51-Q55 VanDerWaalsContact O-CG 3.26Å; S51-Q55 WeakPolarHBondContact O-CG 3.31Å; S51-Q55 PolarHBondContact O-N 3.34Å; L53-Q55 VanDerWaalsContact C-N 3.34Å; L53-Q55 PolarHBondContact O-N 3.15Å; Q55-S59 WeakPolarHBondContact O-CB 3.24Å; Q55-S59 PolarHBondContact O-N 2.76Å; Q55-S59 PolarHBondContact O-OG 3.42Å
56L85.7Confident86.5Confident96 Ų96102.9 Ų102.950%0.50353%0.527SS..Hα-helixtrans-66.4-43.8178.8-173.967.4000111.4R52 L53 S59 I60R52-L56 WeakPolarHBondContact O-CB 3.27Å; R52-L56 PolarHBondContact O-N 2.78Å; L53-L56 CarbonylContact O-C 3.54Å; L53-L56 PolarHBondContact O-N 3Å; L53-L56 VanDerWaalsContact O-N 3.15Å; L56-S59 CarbonylContact O-C 3.53Å; L56-S59 WeakPolarHBondContact O-CB 3.42Å; L56-S59 PolarHBondContact O-N 2.82Å; L56-S59 VanDerWaalsContact O-N 3.14Å; L56-I60 HydrophobicContact CD1-CD1 3.58Å; L56-I60 HydrophobicContact CD1-CG1 4.11Å; L56-I60 HydrophobicContact CD2-CD1 4.45Å; L56-I60 HydrophobicContact CG-CD1 3.8Å; L56-I60 HydrophobicContact CG-CG1 4.37Å; L56-I60 VanDerWaalsContact O-CB 3.31Å; L56-I60 WeakPolarHBondContact O-CB 3.49Å; L56-I60 WeakPolarHBondContact O-CG1 3.41Å; L56-I60 PolarHBondContact O-N 3.27Å
57E84.3Confident86.6Confident112 Ų112100.9 Ų100.952%0.52352%0.519SS..Hα-helixtrans-63.9-48.5177.7-175.7174.5-164.700111.3L53 S59 I60 I61L53-E57 VanDerWaalsContact O-CB 3.24Å; L53-E57 WeakPolarHBondContact O-CB 3.29Å; L53-E57 PolarHBondContact O-N 2.9Å; E57-S59 PolarHBondContact O-N 2.77Å; E57-I60 PolarHBondContact O-N 3.14Å; E57-I61 HydrophobicContact CG-CD1 3.45Å; E57-I61 VanDerWaalsContact CG-CD1 3.45Å; E57-I61 HydrophobicContact CG-CG1 4Å; E57-I61 WeakPolarHBondContact O-CB 3.31Å; E57-I61 WeakPolarHBondContact O-CG1 3.47Å; E57-I61 PolarHBondContact O-N 3.17Å
58N84.2Confident86.8Confident106 Ų106102 Ų10257%0.56752%0.517SS*.Hα-helixtrans-62.3-19.9172.8-77.4-56.2000113.4M54 P62M54-N58 VanDerWaalsContact O-CB 3.27Å; M54-N58 WeakPolarHBondContact O-CB 3.38Å; M54-N58 PolarHBondContact O-N 2.71Å; M54-N58 PolarHBondContact O-ND2 3.07Å; N58-P62 VanDerWaalsContact O-CD 3.24Å; N58-P62 WeakPolarHBondContact O-CD 3.24Å; N58-P62 VanDerWaalsContact O-CG 3.25Å; N58-P62 WeakPolarHBondContact O-CG 3.25Å
59S85.1Confident87Confident74 Ų74103 Ų10352%0.51752%0.518SS..Hα-helixtrans-89.9-40.2174.6-570000112.5Q55 L56 E57 V63Q55-S59 WeakPolarHBondContact O-CB 3.24Å; Q55-S59 PolarHBondContact O-N 2.76Å; Q55-S59 PolarHBondContact O-OG 3.42Å; L56-S59 CarbonylContact O-C 3.53Å; L56-S59 WeakPolarHBondContact O-CB 3.42Å; L56-S59 PolarHBondContact O-N 2.82Å; L56-S59 VanDerWaalsContact O-N 3.14Å; E57-S59 PolarHBondContact O-N 2.77Å; S59-V63 VanDerWaalsContact O-CG2 3.32Å; S59-V63 WeakPolarHBondContact O-CG2 3.26Å
60I86.6Confident87.1Confident79 Ų79103.2 Ų103.241%0.40552%0.523SS..Hα-helixtrans-86.1-38.1-172.1-73.9-173.8000112.6L56 E57 V63 H64L56-I60 HydrophobicContact CD1-CD1 3.58Å; L56-I60 HydrophobicContact CD1-CG1 4.11Å; L56-I60 HydrophobicContact CD2-CD1 4.45Å; L56-I60 HydrophobicContact CG-CD1 3.8Å; L56-I60 HydrophobicContact CG-CG1 4.37Å; L56-I60 VanDerWaalsContact O-CB 3.31Å; L56-I60 WeakPolarHBondContact O-CB 3.49Å; L56-I60 WeakPolarHBondContact O-CG1 3.41Å; L56-I60 PolarHBondContact O-N 3.27Å; E57-I60 PolarHBondContact O-N 3.14Å; I60-V63 PolarHBondContact O-N 3.11Å; I60-V63 VanDerWaalsContact O-N 3.17Å; I60-H64 PolarHBondContact O-N 2.88Å
61I85.8Confident87.3Confident93 Ų93102.1 Ų102.148%0.47752%0.518SS..Hα-helixtrans-60.2-45.4178.9-69.4-176.5000111.7E57 V63 H64 K65E57-I61 HydrophobicContact CG-CD1 3.45Å; E57-I61 VanDerWaalsContact CG-CD1 3.45Å; E57-I61 HydrophobicContact CG-CG1 4Å; E57-I61 WeakPolarHBondContact O-CB 3.31Å; E57-I61 WeakPolarHBondContact O-CG1 3.47Å; E57-I61 PolarHBondContact O-N 3.17Å; I61-V63 VanDerWaalsContact C-N 3.33Å; I61-V63 PolarHBondContact O-N 3.5Å; I61-H64 PolarHBondContact O-N 3.49Å; I61-K65 VanDerWaalsContact O-CB 3.26Å; I61-K65 WeakPolarHBondContact O-CB 3.32Å; I61-K65 PolarHBondContact O-N 3.02Å
62P87.6Confident87.7Confident66 Ų66105 Ų10543%0.42952%0.521SS..Hα-helixtrans-61.7-38.5174.2-25.636.9000113.1N58 K65 Q66N58-P62 VanDerWaalsContact O-CD 3.24Å; N58-P62 WeakPolarHBondContact O-CD 3.24Å; N58-P62 VanDerWaalsContact O-CG 3.25Å; N58-P62 WeakPolarHBondContact O-CG 3.25Å; P62-K65 PolarHBondContact O-N 2.81Å; P62-Q66 WeakPolarHBondContact O-CB 3.33Å; P62-Q66 WeakPolarHBondContact O-CG 3.42Å; P62-Q66 PolarHBondContact O-N 3.34Å
63V85.9Confident87.9Confident87 Ų87102.8 Ų102.853%0.52752%0.519SS..Hα-helixtrans-65.3-51.9177.6171.60000110.7S59 I60 I61 K65 Q66 T67S59-V63 VanDerWaalsContact O-CG2 3.32Å; S59-V63 WeakPolarHBondContact O-CG2 3.26Å; I60-V63 PolarHBondContact O-N 3.11Å; I60-V63 VanDerWaalsContact O-N 3.17Å; I61-V63 VanDerWaalsContact C-N 3.33Å; I61-V63 PolarHBondContact O-N 3.5Å; V63-K65 VanDerWaalsContact C-N 3.31Å; V63-K65 PolarHBondContact O-N 2.85Å; V63-Q66 CarbonylContact O-C 3.6Å; V63-Q66 PolarHBondContact O-N 3.44Å; V63-Q66 VanDerWaalsContact O-N 3.11Å; V63-T67 PolarHBondContact O-N 3.17Å; V63-T67 PolarHBondContact O-OG1 2.9Å
64H87.4Confident88.1Confident129 Ų129103.3 Ų103.360%0.59752%0.519SS*.Hα-helixtrans-58.3-42.2176.3-93.1-56.3000112.3I60 I61 Q66 T67 E68I60-H64 PolarHBondContact O-N 2.88Å; I61-H64 PolarHBondContact O-N 3.49Å; H64-Q66 VanDerWaalsContact C-N 3.32Å; H64-Q66 PolarHBondContact O-N 2.95Å; H64-T67 PolarHBondContact O-N 3.32Å; H64-E68 WeakPolarHBondContact O-CB 3.44Å; H64-E68 PolarHBondContact O-N 3.46Å
65K86.4Confident88.5Confident133 Ų133102.5 Ų102.558%0.57851%0.514SS*.Hα-helixtrans-67.9-30.6177.7-168.2171.4-174.4173.60112.7I61 P62 V63 N69I61-K65 VanDerWaalsContact O-CB 3.26Å; I61-K65 WeakPolarHBondContact O-CB 3.32Å; I61-K65 PolarHBondContact O-N 3.02Å; P62-K65 PolarHBondContact O-N 2.81Å; V63-K65 VanDerWaalsContact C-N 3.31Å; V63-K65 PolarHBondContact O-N 2.85Å; K65-N69 WeakPolarHBondContact O-CB 3.43Å; K65-N69 PolarHBondContact O-N 2.85Å; K65-N69 PolarHBondContact O-ND2 3.19Å
66Q87Confident89Confident147 Ų147100.9 Ų100.969%0.68751%0.509SS*.Hα-helixtrans-72.9-40.8169.2-77.6-170.2-4.700111.8P62 V63 H64 N69 L70P62-Q66 WeakPolarHBondContact O-CB 3.33Å; P62-Q66 WeakPolarHBondContact O-CG 3.42Å; P62-Q66 PolarHBondContact O-N 3.34Å; V63-Q66 CarbonylContact O-C 3.6Å; V63-Q66 PolarHBondContact O-N 3.44Å; V63-Q66 VanDerWaalsContact O-N 3.11Å; H64-Q66 VanDerWaalsContact C-N 3.32Å; H64-Q66 PolarHBondContact O-N 2.95Å; Q66-N69 PolarHBondContact O-N 3.21Å; Q66-L70 WeakPolarHBondContact O-CB 3.4Å; Q66-L70 PolarHBondContact O-N 2.81Å
67T89.9Confident89.4Confident61 Ų6199.7 Ų99.737%0.37451%0.505SS..Hα-helixtrans-61.5-44.2175.5-53.90000112V63 H64 L70 Q71V63-T67 PolarHBondContact O-N 3.17Å; V63-T67 PolarHBondContact O-OG1 2.9Å; H64-T67 PolarHBondContact O-N 3.32Å; T67-L70 PolarHBondContact O-N 2.84Å; T67-Q71 WeakPolarHBondContact O-CG 3.47Å; T67-Q71 PolarHBondContact O-N 3.26Å
68E90.1Very high89.8Confident90 Ų9098.1 Ų98.142%0.42150%0.501SS..Hα-helixtrans-60.9-44.7175.8-171.6-150.9132.200111.4H64 L70 Q71 R72H64-E68 WeakPolarHBondContact O-CB 3.44Å; H64-E68 PolarHBondContact O-N 3.46Å; E68-L70 VanDerWaalsContact C-N 3.33Å; E68-L70 PolarHBondContact O-N 2.83Å; E68-Q71 PolarHBondContact O-N 3.43Å; E68-R72 WeakPolarHBondContact O-CB 3.41Å; E68-R72 PolarHBondContact O-N 2.89Å; E68-R72 IonicContact OE1-CZ 3.14Å; E68-R72 IonicContact OE1-NH1 2.65Å; E68-R72 PolarHBondContact OE1-NH1 2.76Å; E68-R72 IonicContact OE1-NH2 3.18Å; E68-R72 PolarHBondContact OE1-NH2 2.81Å
69N91.6Very high90.2Very high81 Ų8198.2 Ų98.243%0.43350%0.496SS..Hα-helixtrans-67.2-33175.2-77-40.8000112.7K65 Q66 R72 L73K65-N69 WeakPolarHBondContact O-CB 3.43Å; K65-N69 PolarHBondContact O-N 2.85Å; K65-N69 PolarHBondContact O-ND2 3.19Å; Q66-N69 PolarHBondContact O-N 3.21Å; N69-R72 PolarHBondContact OD1-NH1 2.69Å; N69-L73 VanDerWaalsContact O-CB 3.28Å; N69-L73 WeakPolarHBondContact O-CB 3.45Å; N69-L73 PolarHBondContact O-N 2.92Å
70L92.6Very high90.5Very high118 Ų11899.2 Ų99.262%0.61850%0.499SS*.Hα-helixtrans-69.9-41.2175.7-160.779.7000111.3Q66 T67 E68 L73 Q74Q66-L70 WeakPolarHBondContact O-CB 3.4Å; Q66-L70 PolarHBondContact O-N 2.81Å; T67-L70 PolarHBondContact O-N 2.84Å; E68-L70 VanDerWaalsContact C-N 3.33Å; E68-L70 PolarHBondContact O-N 2.83Å; L70-L73 PolarHBondContact O-N 3.22Å; L70-Q74 WeakPolarHBondContact O-CB 3.36Å; L70-Q74 PolarHBondContact O-N 3.41Å
71Q91.3Very high90.8Very high116 Ų11699 Ų9954%0.54250%0.498SS..Hα-helixtrans-63.8-45.1173-75.3177.9-32.900111.4T67 E68 L73 Q74 E75T67-Q71 WeakPolarHBondContact O-CG 3.47Å; T67-Q71 PolarHBondContact O-N 3.26Å; E68-Q71 PolarHBondContact O-N 3.43Å; Q71-L73 VanDerWaalsContact C-N 3.31Å; Q71-L73 PolarHBondContact O-N 3.33Å; Q71-Q74 PolarHBondContact O-N 2.83Å; Q71-E75 PolarHBondContact O-N 3.49Å
72R92.6Very high91Very high119 Ų11998.4 Ų98.445%0.44950%0.503SS..Hα-helixtrans-61.5-37.8174.2-176.3178.3-69.5118.23.9112.2E68 N69 N76E68-R72 WeakPolarHBondContact O-CB 3.41Å; E68-R72 PolarHBondContact O-N 2.89Å; E68-R72 IonicContact OE1-CZ 3.14Å; E68-R72 IonicContact OE1-NH1 2.65Å; E68-R72 PolarHBondContact OE1-NH1 2.76Å; E68-R72 IonicContact OE1-NH2 3.18Å; E68-R72 PolarHBondContact OE1-NH2 2.81Å; N69-R72 PolarHBondContact OD1-NH1 2.69Å; R72-N76 WeakPolarHBondContact O-CB 3.28Å; R72-N76 PolarHBondContact O-N 2.91Å; R72-N76 VanDerWaalsContact O-N 3.12Å; R72-N76 PolarHBondContact O-ND2 3.22Å
73L93.6Very high91Very high104 Ų10499.3 Ų99.355%0.54551%0.509SS..Hα-helixtrans-66.8-45.3173.7179.762.6000111.3N69 L70 Q71 N76 V77N69-L73 VanDerWaalsContact O-CB 3.28Å; N69-L73 WeakPolarHBondContact O-CB 3.45Å; N69-L73 PolarHBondContact O-N 2.92Å; L70-L73 PolarHBondContact O-N 3.22Å; Q71-L73 VanDerWaalsContact C-N 3.31Å; Q71-L73 PolarHBondContact O-N 3.33Å; L73-N76 PolarHBondContact O-N 3.23Å; L73-V77 WeakPolarHBondContact O-CG2 3.41Å; L73-V77 PolarHBondContact O-N 3.12Å
74Q93.3Very high91.2Very high117 Ų11799.8 Ų99.855%0.54751%0.507SS..Hα-helixtrans-60-51176.5-178.1-177.5-17.600111.1L70 Q71 N76 V77 D78L70-Q74 WeakPolarHBondContact O-CB 3.36Å; L70-Q74 PolarHBondContact O-N 3.41Å; Q71-Q74 PolarHBondContact O-N 2.83Å; Q74-N76 PolarHBondContact O-N 3.02Å; Q74-V77 CarbonylContact O-C 3.6Å; Q74-V77 WeakPolarHBondContact O-CA 3.47Å; Q74-V77 WeakPolarHBondContact O-CB 3.32Å; Q74-V77 PolarHBondContact O-N 3.24Å; Q74-D78 WeakPolarHBondContact CG-OD2 3.48Å; Q74-D78 PolarHBondContact O-N 3.31Å
75E94.4Very high91.3Very high105 Ų10598.3 Ų98.349%0.49150%0.504SS..Hα-helixtrans-54.4-40175.3-85.8-169.2-133.300112.5Q71 K79Q71-E75 PolarHBondContact O-N 3.49Å; E75-K79 VanDerWaalsContact O-CB 3.32Å; E75-K79 WeakPolarHBondContact O-CB 3.4Å; E75-K79 VanDerWaalsContact O-CD 3.23Å; E75-K79 WeakPolarHBondContact O-CD 3.12Å; E75-K79 WeakPolarHBondContact O-CG 3.23Å; E75-K79 PolarHBondContact O-N 3.42Å; E75-K79 IonicContact OE2-NZ 2.76Å; E75-K79 PolarHBondContact OE2-NZ 2.98Å
76N93.9Very high91.4Very high85 Ų8597 Ų9746%0.45550%0.499SS..Hα-helixtrans-70.2-36.8177.7-72.1-12.6000111.8R72 L73 Q74 T80R72-N76 WeakPolarHBondContact O-CB 3.28Å; R72-N76 PolarHBondContact O-N 2.91Å; R72-N76 VanDerWaalsContact O-N 3.12Å; R72-N76 PolarHBondContact O-ND2 3.22Å; L73-N76 PolarHBondContact O-N 3.23Å; Q74-N76 PolarHBondContact O-N 3.02Å; N76-T80 VanDerWaalsContact O-CB 3.28Å; N76-T80 WeakPolarHBondContact O-CB 3.37Å; N76-T80 PolarHBondContact O-N 3.41Å; N76-T80 PolarHBondContact O-OG1 2.8Å
77V93.4Very high91.4Very high71 Ų7192.3 Ų92.343%0.4348%0.48SS..Hα-helixtrans-64.8-49.6172.51690000110.5L73 Q74 K79 T80 L81L73-V77 WeakPolarHBondContact O-CG2 3.41Å; L73-V77 PolarHBondContact O-N 3.12Å; Q74-V77 CarbonylContact O-C 3.6Å; Q74-V77 WeakPolarHBondContact O-CA 3.47Å; Q74-V77 WeakPolarHBondContact O-CB 3.32Å; Q74-V77 PolarHBondContact O-N 3.24Å; V77-K79 PolarHBondContact O-N 2.95Å; V77-T80 CarbonylContact O-C 3.57Å; V77-T80 WeakPolarHBondContact O-CB 3.46Å; V77-T80 PolarHBondContact O-N 3.5Å; V77-L81 HydrophobicContact CG1-CD1 3.89Å; V77-L81 HydrophobicContact CG1-CG 4.28Å; V77-L81 WeakPolarHBondContact O-CG 3.49Å; V77-L81 PolarHBondContact O-N 3.06Å
78D93.3Very high91.4Very high79 Ų7992.5 Ų92.542%0.42248%0.479SS..Hα-helixtrans-61.9-41.3-178.9-66.3-21.7000111.6Q74 L81 S82Q74-D78 WeakPolarHBondContact CG-OD2 3.48Å; Q74-D78 PolarHBondContact O-N 3.31Å; D78-L81 PolarHBondContact O-N 2.65Å; D78-S82 WeakPolarHBondContact O-CB 3.28Å; D78-S82 PolarHBondContact O-N 3.46Å
79K92.3Very high91.4Very high108 Ų10890.3 Ų90.347%0.4747%0.473SS..Hα-helixtrans-64.6-40.8172-69.6162-160.6166.90112E75 V77 S82 C83E75-K79 VanDerWaalsContact O-CB 3.32Å; E75-K79 WeakPolarHBondContact O-CB 3.4Å; E75-K79 VanDerWaalsContact O-CD 3.23Å; E75-K79 WeakPolarHBondContact O-CD 3.12Å; E75-K79 WeakPolarHBondContact O-CG 3.23Å; E75-K79 PolarHBondContact O-N 3.42Å; E75-K79 IonicContact OE2-NZ 2.76Å; E75-K79 PolarHBondContact OE2-NZ 2.98Å; V77-K79 PolarHBondContact O-N 2.95Å; K79-S82 PolarHBondContact O-N 3.39Å; K79-C83 PolarHBondContact O-N 2.98Å; K79-C83 PolarHBondContact O-SG 3.34Å; K79-C83 VanDerWaalsContact O-SG 3.34Å
80T91.8Very high91.4Very high95 Ų9588.1 Ų88.158%0.58346%0.459SS*.Hα-helixtrans-66.2-41.7178.1-580000111.4N76 V77 C83 M84N76-T80 VanDerWaalsContact O-CB 3.28Å; N76-T80 WeakPolarHBondContact O-CB 3.37Å; N76-T80 PolarHBondContact O-N 3.41Å; N76-T80 PolarHBondContact O-OG1 2.8Å; V77-T80 CarbonylContact O-C 3.57Å; V77-T80 WeakPolarHBondContact O-CB 3.46Å; V77-T80 PolarHBondContact O-N 3.5Å; T80-C83 PolarHBondContact O-N 3.14Å; T80-M84 WeakPolarHBondContact O-CB 3.37Å; T80-M84 PolarHBondContact O-N 2.92Å
81L91.9Very high91.3Very high75 Ų7587.3 Ų87.339%0.39345%0.448SS..Hα-helixtrans-61.2-49173.6-71172.3000110.7V77 D78 C83 M84 D85V77-L81 HydrophobicContact CG1-CD1 3.89Å; V77-L81 HydrophobicContact CG1-CG 4.28Å; V77-L81 WeakPolarHBondContact O-CG 3.49Å; V77-L81 PolarHBondContact O-N 3.06Å; D78-L81 PolarHBondContact O-N 2.65Å; L81-C83 VanDerWaalsContact C-N 3.29Å; L81-C83 PolarHBondContact O-N 2.96Å; L81-M84 HydrophobicContact CD2-CE 4Å; L81-M84 CarbonylContact O-C 3.48Å; L81-M84 PolarHBondContact O-N 2.65Å; L81-D85 PolarHBondContact O-N 3.04Å
82S91.6Very high91.3Very high81 Ų8186.3 Ų86.357%0.56644%0.444SS*.Hα-helixtrans-59.8-36.6177.3-174.40000113.2D78 K79 H86D78-S82 WeakPolarHBondContact O-CB 3.28Å; D78-S82 PolarHBondContact O-N 3.46Å; K79-S82 PolarHBondContact O-N 3.39Å; S82-H86 WeakPolarHBondContact O-CB 3.43Å; S82-H86 PolarHBondContact O-N 3.04Å; S82-H86 VanDerWaalsContact O-N 3.14Å
83C87.6Confident91.3Very high84 Ų8480.7 Ų80.757%0.56842%0.423SS*.Hα-helixtrans-69-40.6173-72.10000111.9K79 T80 L81 H86 V87K79-C83 PolarHBondContact O-N 2.98Å; K79-C83 PolarHBondContact O-SG 3.34Å; K79-C83 VanDerWaalsContact O-SG 3.34Å; T80-C83 PolarHBondContact O-N 3.14Å; L81-C83 VanDerWaalsContact C-N 3.29Å; L81-C83 PolarHBondContact O-N 2.96Å; C83-H86 PolarHBondContact O-N 3.37Å; C83-V87 WeakPolarHBondContact O-CG2 3.46Å; C83-V87 PolarHBondContact O-N 3.44Å
84M89.5Confident91.1Very high98 Ų9876.7 Ų76.748%0.48341%0.405SS..Hα-helixtrans-66.8-44.1179-169.7179.470.700111.7T80 L81 H86 V87 I88T80-M84 WeakPolarHBondContact O-CB 3.37Å; T80-M84 PolarHBondContact O-N 2.92Å; L81-M84 HydrophobicContact CD2-CE 4Å; L81-M84 CarbonylContact O-C 3.48Å; L81-M84 PolarHBondContact O-N 2.65Å; M84-H86 VanDerWaalsContact C-N 3.31Å; M84-H86 PolarHBondContact O-N 3.3Å; M84-V87 PolarHBondContact O-N 2.81Å; M84-I88 HydrophobicContact CE-CD1 4.38Å; M84-I88 HydrophobicContact CG-CD1 3.85Å; M84-I88 HydrophobicContact CG-CG1 4.48Å; M84-I88 WeakPolarHBondContact O-CB 3.43Å; M84-I88 VanDerWaalsContact O-CG1 3.27Å; M84-I88 WeakPolarHBondContact O-CG1 3.27Å; M84-I88 PolarHBondContact O-N 3.11Å
85D89.5Confident91Very high98 Ų9879.1 Ų79.152%0.52441%0.413SS..Hα-helixtrans-62.5-38.4174.7-72.5-26.6000111.5L81 I88 S89L81-D85 PolarHBondContact O-N 3.04Å; D85-I88 PolarHBondContact O-N 3.29Å; D85-S89 WeakPolarHBondContact O-CB 3.38Å; D85-S89 PolarHBondContact O-N 2.9Å
86H87.4Confident90.8Very high104 Ų10478.1 Ų78.148%0.48141%0.411SS..Hα-helixtrans-61.4-46173.7-174.562.3000111.6S82 C83 M84 S89 Y90S82-H86 WeakPolarHBondContact O-CB 3.43Å; S82-H86 PolarHBondContact O-N 3.04Å; S82-H86 VanDerWaalsContact O-N 3.14Å; C83-H86 PolarHBondContact O-N 3.37Å; M84-H86 VanDerWaalsContact C-N 3.31Å; M84-H86 PolarHBondContact O-N 3.3Å; H86-S89 WeakPolarHBondContact O-CB 3.44Å; H86-S89 PolarHBondContact O-N 3.24Å; H86-S89 PolarHBondContact O-OG 2.84Å; H86-Y90 AromaticContact CD2-CE2 3.88Å; H86-Y90 AromaticContact CE1-CE2 3.87Å; H86-Y90 AromaticContact CE1-CZ 3.72Å; H86-Y90 PolarHBondContact CE1-OH 3.15Å; H86-Y90 AromaticContact NE2-CE2 3.53Å; H86-Y90 AromaticContact NE2-CZ 3.63Å; H86-Y90 PolarHBondContact NE2-OH 3.23Å; H86-Y90 WeakPolarHBondContact O-CD2 3.04Å
87V88.2Confident90.8Very high49 Ų4974.3 Ų74.330%0.29739%0.391SS..Hα-helixtrans-63.1-48.5175.1171.30000111.6C83 M84 S89 Y90 Y91 Y125C83-V87 WeakPolarHBondContact O-CG2 3.46Å; C83-V87 PolarHBondContact O-N 3.44Å; M84-V87 PolarHBondContact O-N 2.81Å; V87-S89 PolarHBondContact O-N 3.28Å; V87-Y90 PolarHBondContact O-N 2.68Å; V87-Y90 VanDerWaalsContact O-N 3.15Å; V87-Y91 HydrophobicContact CG1-CD2 4.41Å; V87-Y91 HydrophobicContact CG1-CE2 4.03Å; V87-Y91 WeakPolarHBondContact O-CD2 3.45Å; V87-Y125 WeakPolarHBondContact CG1-OH 3.47Å
88I89.1Confident90.7Very high66 Ų6673.5 Ų73.534%0.33838%0.384SS..Hα-helixtrans-57.6-34.3178.1-71.5167.3000111.2M84 D85 Y90 Y91 H92M84-I88 HydrophobicContact CE-CD1 4.38Å; M84-I88 HydrophobicContact CG-CD1 3.85Å; M84-I88 HydrophobicContact CG-CG1 4.48Å; M84-I88 WeakPolarHBondContact O-CB 3.43Å; M84-I88 VanDerWaalsContact O-CG1 3.27Å; M84-I88 WeakPolarHBondContact O-CG1 3.27Å; M84-I88 PolarHBondContact O-N 3.11Å; D85-I88 PolarHBondContact O-N 3.29Å; I88-Y90 VanDerWaalsContact C-N 3.28Å; I88-Y90 PolarHBondContact O-N 3.08Å; I88-Y91 WeakPolarHBondContact O-CB 3.34Å; I88-Y91 PolarHBondContact O-N 3.47Å; I88-Y91 VanDerWaalsContact O-N 3.1Å; I88-H92 PolarHBondContact O-N 3.1Å
89S91.7Very high90.6Very high43 Ų4375.9 Ų75.930%0.30139%0.391SS..Hα-helixtrans-56.9-39.9178.883.10000112.6D85 H86 V87 Y91 H92 V93D85-S89 WeakPolarHBondContact O-CB 3.38Å; D85-S89 PolarHBondContact O-N 2.9Å; H86-S89 WeakPolarHBondContact O-CB 3.44Å; H86-S89 PolarHBondContact O-N 3.24Å; H86-S89 PolarHBondContact O-OG 2.84Å; V87-S89 PolarHBondContact O-N 3.28Å; S89-Y91 PolarHBondContact O-N 2.66Å; S89-H92 PolarHBondContact O-N 3.34Å; S89-H92 VanDerWaalsContact O-N 3.08Å; S89-V93 WeakPolarHBondContact O-CG2 3.49Å; S89-V93 PolarHBondContact O-N 3.22Å; S89-V93 VanDerWaalsContact O-N 3.11Å
90Y91.7Very high90.7Very high36 Ų3672.3 Ų72.314%0.14138%0.377CS..Hα-helixtrans-65.2-36.8177.4-62.1-64.8000112.7H86 V87 I88 H92 V93 K121 A122 Y125H86-Y90 AromaticContact CD2-CE2 3.88Å; H86-Y90 AromaticContact CE1-CE2 3.87Å; H86-Y90 AromaticContact CE1-CZ 3.72Å; H86-Y90 PolarHBondContact CE1-OH 3.15Å; H86-Y90 AromaticContact NE2-CE2 3.53Å; H86-Y90 AromaticContact NE2-CZ 3.63Å; H86-Y90 PolarHBondContact NE2-OH 3.23Å; H86-Y90 WeakPolarHBondContact O-CD2 3.04Å; V87-Y90 PolarHBondContact O-N 2.68Å; V87-Y90 VanDerWaalsContact O-N 3.15Å; I88-Y90 VanDerWaalsContact C-N 3.28Å; I88-Y90 PolarHBondContact O-N 3.08Å; Y90-H92 PolarHBondContact O-N 2.95Å; Y90-V93 PolarHBondContact O-N 3.05Å; Y90-K121 HydrophobicContact CE1-CB 4.41Å; Y90-A122 HydrophobicContact CD1-CB 3.83Å; Y90-Y125 HydrophobicContact CD1-CD1 4.41Å; Y90-Y125 HydrophobicContact CD1-CG 4.32Å; Y90-Y125 AromaticContact CD2-CD1 3.47Å; Y90-Y125 HydrophobicContact CD2-CD1 3.47Å; Y90-Y125 VanDerWaalsContact CD2-CD1 3.47Å; Y90-Y125 AromaticContact CD2-CD2 3.88Å; Y90-Y125 HydrophobicContact CD2-CD2 3.88Å; Y90-Y125 AromaticContact CD2-CE1 3.81Å; Y90-Y125 HydrophobicContact CD2-CE1 3.81Å; Y90-Y125 HydrophobicContact CD2-CE2 4.2Å; Y90-Y125 AromaticContact CD2-CG 3.52Å; Y90-Y125 HydrophobicContact CD2-CG 3.52Å; Y90-Y125 HydrophobicContact CE1-CG 4.43Å; Y90-Y125 HydrophobicContact CE2-CD1 4.12Å; Y90-Y125 AromaticContact CE2-CD2 3.68Å; Y90-Y125 HydrophobicContact CE2-CD2 3.68Å; Y90-Y125 HydrophobicContact CE2-CE2 4.17Å; Y90-Y125 AromaticContact CE2-CG 3.67Å; Y90-Y125 HydrophobicContact CE2-CG 3.67Å; Y90-Y125 AromaticContact CG-CD1 3.65Å; Y90-Y125 HydrophobicContact CG-CD1 3.65Å; Y90-Y125 HydrophobicContact CG-CE1 4.28Å; Y90-Y125 AromaticContact CG-CG 3.88Å; Y90-Y125 HydrophobicContact CG-CG 3.88Å
91Y88.9Confident90.9Very high100 Ų10067.9 Ų67.939%0.39235%0.35SS..Hα-helixtrans-67.1-19.9173.5-74.3-92.6000113.2V87 I88 S89 F126 E135V87-Y91 HydrophobicContact CG1-CD2 4.41Å; V87-Y91 HydrophobicContact CG1-CE2 4.03Å; V87-Y91 WeakPolarHBondContact O-CD2 3.45Å; I88-Y91 WeakPolarHBondContact O-CB 3.34Å; I88-Y91 PolarHBondContact O-N 3.47Å; I88-Y91 VanDerWaalsContact O-N 3.1Å; S89-Y91 PolarHBondContact O-N 2.66Å; Y91-F126 HydrophobicContact CD1-CE1 4.47Å; Y91-F126 HydrophobicContact CD1-CZ 4.13Å; Y91-F126 HydrophobicContact CD2-CE1 4.18Å; Y91-F126 AromaticContact CD2-CZ 3.95Å; Y91-F126 HydrophobicContact CD2-CZ 3.95Å; Y91-F126 HydrophobicContact CE1-CE1 4.03Å; Y91-F126 HydrophobicContact CE1-CZ 4.15Å; Y91-F126 AromaticContact CE2-CE1 3.71Å; Y91-F126 HydrophobicContact CE2-CE1 3.71Å; Y91-F126 AromaticContact CE2-CZ 3.98Å; Y91-F126 HydrophobicContact CE2-CZ 3.98Å; Y91-F126 HydrophobicContact CG-CZ 4.02Å; Y91-F126 AromaticContact CZ-CE1 3.62Å; Y91-E135 HydrophobicContact CD1-CG 3.73Å; Y91-E135 HydrophobicContact CE1-CG 3.75Å
92H91.4Very high90.9Very high96 Ų9674.1 Ų74.144%0.44437%0.368SS..Hα-helixtrans-95.7-18.2176.7-69.7-11.2000114.1I88 S89 Y90 A94 K95 D96I88-H92 PolarHBondContact O-N 3.1Å; S89-H92 PolarHBondContact O-N 3.34Å; S89-H92 VanDerWaalsContact O-N 3.08Å; Y90-H92 PolarHBondContact O-N 2.95Å; H92-A94 VanDerWaalsContact C-N 3.35Å; H92-A94 PolarHBondContact O-N 3.43Å; H92-K95 WeakPolarHBondContact O-CB 3.45Å; H92-K95 PolarHBondContact O-N 3.5Å; H92-D96 PolarHBondContact O-N 3.26Å
93V93.6Very high91Very high1 Ų174.7 Ų74.71%0.00636%0.361CS..Hα-helixtrans-46.7-52.9-179.81690000112.7S89 Y90 K95 D96 T97 K118 I119 A122S89-V93 WeakPolarHBondContact O-CG2 3.49Å; S89-V93 PolarHBondContact O-N 3.22Å; S89-V93 VanDerWaalsContact O-N 3.11Å; Y90-V93 PolarHBondContact O-N 3.05Å; V93-K95 PolarHBondContact O-N 2.96Å; V93-D96 PolarHBondContact O-N 3.43Å; V93-T97 HydrophobicContact CG1-CG2 4.11Å; V93-T97 WeakPolarHBondContact O-CG2 3.4Å; V93-T97 PolarHBondContact O-N 3.2Å; V93-T97 PolarHBondContact O-OG1 2.92Å; V93-K118 HydrophobicContact CG2-CD 4.14Å; V93-K118 HydrophobicContact CG2-CG 4.01Å; V93-I119 HydrophobicContact CG1-CB 4.41Å; V93-I119 HydrophobicContact CG1-CG1 3.99Å; V93-A122 HydrophobicContact CB-CB 4.12Å; V93-A122 HydrophobicContact CG1-CB 4.07Å; V93-A122 HydrophobicContact CG2-CB 4.09Å
94A89.3Confident91.3Very high20 Ų2071 Ų7117%0.16534%0.338CS..Hα-helixtrans-61.6-19.1-176.800000114.8H92 T138 V139H92-A94 VanDerWaalsContact C-N 3.35Å; H92-A94 PolarHBondContact O-N 3.43Å; A94-T138 HydrophobicContact CB-CG2 4.09Å; A94-V139 HydrophobicContact CB-CG2 4.22Å
95K90.7Very high91.6Very high167 Ų16766.6 Ų66.673%0.72632%0.317SS*.Hα-helixtrans-93.1-44.8175.1-177.6-173.2174.8-169.80111.2H92 V93 T97 D98H92-K95 WeakPolarHBondContact O-CB 3.45Å; H92-K95 PolarHBondContact O-N 3.5Å; V93-K95 PolarHBondContact O-N 2.96Å; K95-T97 VanDerWaalsContact C-N 3.29Å; K95-T97 PolarHBondContact O-N 3.25Å; K95-D98 WeakPolarHBondContact O-CB 2.82Å; K95-D98 PolarHBondContact O-N 3.17Å
96D91.1Very high91.7Very high85 Ų8566 Ų6646%0.45532%0.316SS..Hα-helixtrans-58.3-42.2177.7-66-8.3000111.6H92 V93 K118H92-D96 PolarHBondContact O-N 3.26Å; V93-D96 PolarHBondContact O-N 3.43Å; D96-K118 IonicContact OD2-NZ 2.65Å; D96-K118 PolarHBondContact OD2-NZ 3.05Å
97T93.2Very high91.9Very high4 Ų464.8 Ų64.83%0.02533%0.332CS..THydrogen-bonded Turntrans-87.1-9.2-174.264.60000113.7V93 K95 K99 I100 I101 C115 K118 I119V93-T97 HydrophobicContact CG1-CG2 4.11Å; V93-T97 WeakPolarHBondContact O-CG2 3.4Å; V93-T97 PolarHBondContact O-N 3.2Å; V93-T97 PolarHBondContact O-OG1 2.92Å; K95-T97 VanDerWaalsContact C-N 3.29Å; K95-T97 PolarHBondContact O-N 3.25Å; T97-K99 VanDerWaalsContact C-N 3.29Å; T97-K99 PolarHBondContact O-N 3.25Å; T97-I100 PolarHBondContact O-N 3.39Å; T97-I101 WeakPolarHBondContact O-CG1 3.49Å; T97-I101 PolarHBondContact O-N 3.4Å; T97-C115 WeakPolarHBondContact CB-SG 3.33Å; T97-C115 VanDerWaalsContact CG2-SG 3.54Å; T97-K118 HydrophobicContact CG2-CD 4.37Å; T97-I119 HydrophobicContact CG2-CD1 4.28Å; T97-I119 HydrophobicContact CG2-CG1 3.86Å
98D90.1Very high92.1Very high54 Ų5465.7 Ų65.729%0.28933%0.331SS..Hα-helixtrans-52.4-47.3-176.3175.572.7000112.1K95 R102 R142K95-D98 WeakPolarHBondContact O-CB 2.82Å; K95-D98 PolarHBondContact O-N 3.17Å; D98-R102 WeakPolarHBondContact O-CB 3.47Å; D98-R102 PolarHBondContact O-N 2.95Å; D98-R142 IonicContact OD1-CZ 3.13Å; D98-R142 IonicContact OD1-NH1 2.68Å; D98-R142 PolarHBondContact OD1-NH1 2.93Å; D98-R142 IonicContact OD1-NH2 2.68Å; D98-R142 PolarHBondContact OD1-NH2 2.89Å
99K93Very high92.4Very high129 Ų12963 Ų6356%0.56132%0.317SS*.Hα-helixtrans-60.7-52.6-179.1-175.3-168.7170-1640111.6T97 R102 E103T97-K99 VanDerWaalsContact C-N 3.29Å; T97-K99 PolarHBondContact O-N 3.25Å; K99-R102 PolarHBondContact O-N 3.17Å; K99-E103 WeakPolarHBondContact CE-OE1 3.38Å; K99-E103 HydrophobicContact CG-CG 4.43Å; K99-E103 WeakPolarHBondContact CG-OE1 3.48Å; K99-E103 IonicContact NZ-OE1 2.69Å; K99-E103 WeakPolarHBondContact O-CG 3.39Å; K99-E103 PolarHBondContact O-N 2.94Å
100I94.2Very high92.6Very high33 Ų3367.3 Ų67.317%0.16934%0.336CS..Hα-helixtrans-64.2-48.1-175.3-62.2170.1000109.7T97 R102 E103 G104 E111 Y112 C115T97-I100 PolarHBondContact O-N 3.39Å; I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 2.95Å; I100-E103 PolarHBondContact O-N 3.04Å; I100-G104 PolarHBondContact O-N 3.15Å; I100-E111 HydrophobicContact CD1-CG 4.24Å; I100-Y112 HydrophobicContact CG2-CD2 3.69Å; I100-Y112 HydrophobicContact CG2-CE2 4.33Å; I100-Y112 HydrophobicContact CG2-CG 4.45Å; I100-Y112 VanDerWaalsContact O-CE2 3.32Å; I100-Y112 WeakPolarHBondContact O-CE2 3.43Å; I100-C115 HydrophobicContact CB-CB 4.3Å; I100-C115 HydrophobicContact CD1-CB 4.1Å; I100-C115 HydrophobicContact CG2-CB 3.76Å
101I94.6Very high92.7Very high3 Ų370.4 Ų70.42%0.01535%0.352CS..Hα-helixtrans-60.3-40.5177.7-62.2-61.9000111.6T97 Y112 I116 I119 L149T97-I101 WeakPolarHBondContact O-CG1 3.49Å; T97-I101 PolarHBondContact O-N 3.4Å; I101-Y112 HydrophobicContact CD1-CE1 4.5Å; I101-Y112 HydrophobicContact CD1-CE2 4.22Å; I101-I116 HydrophobicContact CD1-CD1 4.2Å; I101-I116 HydrophobicContact CD1-CG1 3.66Å; I101-I119 HydrophobicContact CD1-CD1 3.64Å; I101-I119 HydrophobicContact CG1-CD1 3.64Å; I101-L149 WeakPolarHBondContact O-CD1 3.5Å
102R93.2Very high93.1Very high205 Ų20565.6 Ų65.677%0.77433%0.333SS*.Hα-helixtrans-69.1-34.2178.8175.7179162.2-154.8-8.2113.5D98 K99 I100D98-R102 WeakPolarHBondContact O-CB 3.47Å; D98-R102 PolarHBondContact O-N 2.95Å; K99-R102 PolarHBondContact O-N 3.17Å; I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 2.95Å
103E93.3Very high93.3Very high93 Ų9362.5 Ų62.544%0.43532%0.32SS..Hα-helixtrans-89-11.6-178.5-63.1176.7-177.700114.3K99 I100 R108K99-E103 WeakPolarHBondContact CE-OE1 3.38Å; K99-E103 HydrophobicContact CG-CG 4.43Å; K99-E103 WeakPolarHBondContact CG-OE1 3.48Å; K99-E103 IonicContact NZ-OE1 2.69Å; K99-E103 WeakPolarHBondContact O-CG 3.39Å; K99-E103 PolarHBondContact O-N 2.94Å; I100-E103 PolarHBondContact O-N 3.04Å; E103-R108 PolarHBondContact O-NH2 2.95Å; E103-R108 IonicContact OE2-CZ 3.92Å; E103-R108 IonicContact OE2-NH1 3.39Å; E103-R108 PolarHBondContact OE2-NH1 2.94Å; E103-R108 IonicContact OE2-NH2 2.68Å; E103-R108 PolarHBondContact OE2-NH2 3.22Å
104G94.2Very high93.4Very high8 Ų865.6 Ų65.68%0.08235%0.345CS..  trans82.7166.217000000116.5I100 R108 Y112I100-G104 PolarHBondContact O-N 3.15Å; G104-R108 PolarHBondContact O-NE 3.38Å; G104-R108 PolarHBondContact O-NH2 3.19Å; G104-Y112 VanDerWaalsContact C-CD2 3.42Å; G104-Y112 VanDerWaalsContact C-CE2 3.42Å
105P94.9Very high93.6Very high4 Ų465.1 Ų65.13%0.02634%0.34CS..SBendtrans-75.5-18-175.330.7-37.5000115.1G107 R108 L109 Y112 L150 E153P105-G107 PolarHBondContact O-N 2.81Å; P105-R108 CarbonylContact O-C 3.59Å; P105-R108 WeakPolarHBondContact O-CG 3.27Å; P105-R108 PolarHBondContact O-N 3.13Å; P105-L109 HydrophobicContact CB-CD1 4.36Å; P105-L109 PolarHBondContact O-N 3.16Å; P105-Y112 HydrophobicContact CB-CD1 3.66Å; P105-Y112 HydrophobicContact CB-CD2 4.08Å; P105-Y112 HydrophobicContact CB-CE1 4.09Å; P105-Y112 HydrophobicContact CB-CE2 4.5Å; P105-Y112 HydrophobicContact CB-CG 3.64Å; P105-Y112 HydrophobicContact CG-CD1 4.38Å; P105-Y112 HydrophobicContact CG-CE1 4.32Å; P105-L150 HydrophobicContact CB-CD2 4.13Å; P105-L150 HydrophobicContact CG-CD2 4.34Å; P105-E153 HydrophobicContact CB-CG 4.39Å; P105-E153 HydrophobicContact CG-CB 3.56Å; P105-E153 HydrophobicContact CG-CG 3.76Å
106T93Very high93.8Very high85 Ų8557.1 Ų57.152%0.52131%0.306SS..THydrogen-bonded Turntrans-50.9111.3-167.8-42.50000112.6E153T106-E153 WeakPolarHBondContact CB-OE2 3.18Å; T106-E153 PolarHBondContact OG1-OE2 3.45Å
107G89.6Confident94Very high79 Ų7954.9 Ų54.981%0.81430%0.299SS*.THydrogen-bonded Turntrans75.715.2178.400000116P105P105-G107 PolarHBondContact O-N 2.81Å
108R93.9Very high94Very high69 Ų6958.7 Ų58.726%0.2632%0.315SS..  trans-15443.8177.855.2158.2161-142.5-20.9112.1E103 G104 P105 D110 E111 Y112E103-R108 PolarHBondContact O-NH2 2.95Å; E103-R108 IonicContact OE2-CZ 3.92Å; E103-R108 IonicContact OE2-NH1 3.39Å; E103-R108 PolarHBondContact OE2-NH1 2.94Å; E103-R108 IonicContact OE2-NH2 2.68Å; E103-R108 PolarHBondContact OE2-NH2 3.22Å; G104-R108 PolarHBondContact O-NE 3.38Å; G104-R108 PolarHBondContact O-NH2 3.19Å; P105-R108 CarbonylContact O-C 3.59Å; P105-R108 WeakPolarHBondContact O-CG 3.27Å; P105-R108 PolarHBondContact O-N 3.13Å; R108-D110 VanDerWaalsContact C-N 3.3Å; R108-D110 PolarHBondContact O-N 3.5Å; R108-E111 HydrophobicContact CB-CB 4.4Å; R108-E111 WeakPolarHBondContact CD-OE2 3.4Å; R108-E111 IonicContact NH1-OE2 2.92Å; R108-E111 PolarHBondContact O-N 2.91Å; R108-Y112 PolarHBondContact O-N 3.36Å; R108-Y112 VanDerWaalsContact O-N 3.17Å
109L95Very high94.2Very high10 Ų1056.1 Ų56.15%0.05230%0.302CS..Hα-helixtrans-54.3-44.2-171-178.161.1000112.5P105 E111 Y112 L113 L150 D198 C201 I202P105-L109 HydrophobicContact CB-CD1 4.36Å; P105-L109 PolarHBondContact O-N 3.16Å; L109-E111 PolarHBondContact O-N 3.36Å; L109-Y112 WeakPolarHBondContact O-CB 3.47Å; L109-Y112 PolarHBondContact O-N 3.42Å; L109-Y112 VanDerWaalsContact O-N 3.13Å; L109-L113 HydrophobicContact CD1-CD1 3.93Å; L109-L113 HydrophobicContact CD1-CD2 4.29Å; L109-L113 HydrophobicContact CD1-CG 3.84Å; L109-L113 HydrophobicContact CD2-CD1 4.31Å; L109-L113 HydrophobicContact CG-CD1 3.76Å; L109-L113 HydrophobicContact CG-CG 4.1Å; L109-L113 WeakPolarHBondContact O-CG 3.39Å; L109-L113 PolarHBondContact O-N 2.93Å; L109-L150 HydrophobicContact CD1-CD2 3.85Å; L109-D198 HydrophobicContact CD2-CB 4.11Å; L109-D198 WeakPolarHBondContact CD2-O 3.15Å; L109-C201 HydrophobicContact CD2-CB 3.7Å; L109-I202 HydrophobicContact CD1-CD1 4.07Å; L109-I202 HydrophobicContact CD1-CG1 3.61Å; L109-I202 HydrophobicContact CD2-CD1 4.23Å; L109-I202 HydrophobicContact CD2-CG1 3.81Å; L109-I202 HydrophobicContact CG-CG1 4.39Å
110D94.8Very high94.3Very high132 Ų13251.2 Ų51.271%0.70628%0.281SS*.Hα-helixtrans-58.9-46.2179.1-60.2-41.6000113.6R108 Y112 L113 A114R108-D110 VanDerWaalsContact C-N 3.3Å; R108-D110 PolarHBondContact O-N 3.5Å; D110-Y112 PolarHBondContact O-N 2.75Å; D110-L113 PolarHBondContact O-N 3.1Å; D110-A114 VanDerWaalsContact O-CB 3.27Å; D110-A114 WeakPolarHBondContact O-CB 3.47Å; D110-A114 PolarHBondContact O-N 3.21Å
111E95.3Very high94.3Very high101 Ų10155.6 Ų55.647%0.47230%0.299SS..Hα-helixtrans-60.9-39.7176.8-176.1-174.4-152.700110.2I100 R108 L109 C115I100-E111 HydrophobicContact CD1-CG 4.24Å; R108-E111 HydrophobicContact CB-CB 4.4Å; R108-E111 WeakPolarHBondContact CD-OE2 3.4Å; R108-E111 IonicContact NH1-OE2 2.92Å; R108-E111 PolarHBondContact O-N 2.91Å; L109-E111 PolarHBondContact O-N 3.36Å; E111-C115 WeakPolarHBondContact O-CB 3.41Å; E111-C115 PolarHBondContact O-N 3.32Å
112Y96.7Very high94.2Very high0 Ų055.5 Ų55.50%030%0.298CS..Hα-helixtrans-73.8-41.1-177.4-163.1-90.2000112.9I100 I101 G104 P105 R108 L109 D110 C115 I116 L149 L150I100-Y112 HydrophobicContact CG2-CD2 3.69Å; I100-Y112 HydrophobicContact CG2-CE2 4.33Å; I100-Y112 HydrophobicContact CG2-CG 4.45Å; I100-Y112 VanDerWaalsContact O-CE2 3.32Å; I100-Y112 WeakPolarHBondContact O-CE2 3.43Å; I101-Y112 HydrophobicContact CD1-CE1 4.5Å; I101-Y112 HydrophobicContact CD1-CE2 4.22Å; G104-Y112 VanDerWaalsContact C-CD2 3.42Å; G104-Y112 VanDerWaalsContact C-CE2 3.42Å; P105-Y112 HydrophobicContact CB-CD1 3.66Å; P105-Y112 HydrophobicContact CB-CD2 4.08Å; P105-Y112 HydrophobicContact CB-CE1 4.09Å; P105-Y112 HydrophobicContact CB-CE2 4.5Å; P105-Y112 HydrophobicContact CB-CG 3.64Å; P105-Y112 HydrophobicContact CG-CD1 4.38Å; P105-Y112 HydrophobicContact CG-CE1 4.32Å; R108-Y112 PolarHBondContact O-N 3.36Å; R108-Y112 VanDerWaalsContact O-N 3.17Å; L109-Y112 WeakPolarHBondContact O-CB 3.47Å; L109-Y112 PolarHBondContact O-N 3.42Å; L109-Y112 VanDerWaalsContact O-N 3.13Å; D110-Y112 PolarHBondContact O-N 2.75Å; Y112-C115 WeakPolarHBondContact O-CB 3.46Å; Y112-C115 PolarHBondContact O-N 3.48Å; Y112-I116 HydrophobicContact CD1-CD1 3.75Å; Y112-I116 HydrophobicContact CD1-CG1 4.4Å; Y112-I116 HydrophobicContact CE1-CD1 3.33Å; Y112-I116 HydrophobicContact CE1-CG1 4.21Å; Y112-I116 PolarHBondContact O-N 2.85Å; Y112-L149 WeakPolarHBondContact OH-CB 3.37Å; Y112-L149 VanDerWaalsContact OH-CD1 3.32Å; Y112-L149 WeakPolarHBondContact OH-CD1 3.23Å; Y112-L150 HydrophobicContact CD1-CD2 3.88Å; Y112-L150 HydrophobicContact CD1-CG 4.28Å; Y112-L150 HydrophobicContact CE1-CD2 4.03Å; Y112-L150 HydrophobicContact CE1-CG 3.99Å
113L95.6Very high94.2Very high31 Ų3146.4 Ų46.416%0.16227%0.265CS..Hα-helixtrans-66.8-43174-69.4177.4000111.2L109 D110 C115 I116 A117 L150 C201 W205L109-L113 HydrophobicContact CD1-CD1 3.93Å; L109-L113 HydrophobicContact CD1-CD2 4.29Å; L109-L113 HydrophobicContact CD1-CG 3.84Å; L109-L113 HydrophobicContact CD2-CD1 4.31Å; L109-L113 HydrophobicContact CG-CD1 3.76Å; L109-L113 HydrophobicContact CG-CG 4.1Å; L109-L113 WeakPolarHBondContact O-CG 3.39Å; L109-L113 PolarHBondContact O-N 2.93Å; D110-L113 PolarHBondContact O-N 3.1Å; L113-C115 VanDerWaalsContact C-N 3.3Å; L113-C115 PolarHBondContact O-N 3.16Å; L113-I116 PolarHBondContact O-N 3.06Å; L113-A117 WeakPolarHBondContact O-CB 3.47Å; L113-A117 PolarHBondContact O-N 3.33Å; L113-L150 HydrophobicContact CD2-CD1 3.91Å; L113-L150 HydrophobicContact CD2-CD2 4.14Å; L113-C201 HydrophobicContact CD1-CB 4.49Å; L113-W205 HydrophobicContact CD2-CB 4.3Å; L113-W205 HydrophobicContact CD2-CD2 4.4Å; L113-W205 HydrophobicContact CD2-CG 3.9Å
114A95Very high94.2Very high65 Ų6546 Ų4654%0.53726%0.263SS..Hα-helixtrans-61.8-38.4173.400000112.1D110 A117 K118D110-A114 VanDerWaalsContact O-CB 3.27Å; D110-A114 WeakPolarHBondContact O-CB 3.47Å; D110-A114 PolarHBondContact O-N 3.21Å; A114-A117 PolarHBondContact O-N 3.02Å; A114-K118 PolarHBondContact O-N 3.16Å; A114-K118 VanDerWaalsContact O-N 3.1Å
115C95.2Very high94.2Very high10 Ų1047.9 Ų47.97%0.06827%0.268CS..Hα-helixtrans-61.5-47.5172.4175.50000111.8T97 I100 E111 Y112 L113 K118 I119T97-C115 WeakPolarHBondContact CB-SG 3.33Å; T97-C115 VanDerWaalsContact CG2-SG 3.54Å; I100-C115 HydrophobicContact CB-CB 4.3Å; I100-C115 HydrophobicContact CD1-CB 4.1Å; I100-C115 HydrophobicContact CG2-CB 3.76Å; E111-C115 WeakPolarHBondContact O-CB 3.41Å; E111-C115 PolarHBondContact O-N 3.32Å; Y112-C115 WeakPolarHBondContact O-CB 3.46Å; Y112-C115 PolarHBondContact O-N 3.48Å; L113-C115 VanDerWaalsContact C-N 3.3Å; L113-C115 PolarHBondContact O-N 3.16Å; C115-K118 WeakPolarHBondContact O-CB 3.5Å; C115-K118 PolarHBondContact O-N 3.48Å; C115-I119 WeakPolarHBondContact O-CG1 3.39Å; C115-I119 PolarHBondContact O-N 3.43Å; C115-I119 VanDerWaalsContact O-N 3.16Å
116I94.9Very high94.1Very high0 Ų047.7 Ų47.70%027%0.267CS..Hα-helixtrans-65.6-38.3177.4-75.2178.2000111.9I101 Y112 L113 K118 I119 Q120 F143 L150 W205I101-I116 HydrophobicContact CD1-CD1 4.2Å; I101-I116 HydrophobicContact CD1-CG1 3.66Å; Y112-I116 HydrophobicContact CD1-CD1 3.75Å; Y112-I116 HydrophobicContact CD1-CG1 4.4Å; Y112-I116 HydrophobicContact CE1-CD1 3.33Å; Y112-I116 HydrophobicContact CE1-CG1 4.21Å; Y112-I116 PolarHBondContact O-N 2.85Å; L113-I116 PolarHBondContact O-N 3.06Å; I116-K118 VanDerWaalsContact C-N 3.26Å; I116-K118 PolarHBondContact O-N 2.59Å; I116-I119 CarbonylContact O-C 3.58Å; I116-I119 WeakPolarHBondContact O-CA 3.12Å; I116-I119 WeakPolarHBondContact O-CB 3.33Å; I116-I119 PolarHBondContact O-N 2.97Å; I116-Q120 PolarHBondContact O-N 3.22Å; I116-F143 HydrophobicContact CG2-CD2 3.98Å; I116-F143 HydrophobicContact CG2-CE2 3.68Å; I116-L150 HydrophobicContact CD1-CD1 3.8Å; I116-L150 HydrophobicContact CD1-CG 4.31Å; I116-W205 HydrophobicContact CG2-CH2 4.13Å; I116-W205 HydrophobicContact CG2-CZ2 3.41Å; I116-W205 VanDerWaalsContact CG2-CZ2 3.41Å
117A94Very high94.2Very high38 Ų3848.1 Ų48.131%0.31426%0.263SS..Hα-helixtrans-62.2-32.2173.600000112.6L113 A114 K121L113-A117 WeakPolarHBondContact O-CB 3.47Å; L113-A117 PolarHBondContact O-N 3.33Å; A114-A117 PolarHBondContact O-N 3.02Å; A117-K121 WeakPolarHBondContact O-CG 3.32Å; A117-K121 PolarHBondContact O-N 2.96Å; A117-K121 VanDerWaalsContact O-N 3.16Å
118K94.3Very high94.3Very high84 Ų8451 Ų5137%0.36526%0.259SS..Hα-helixtrans-67.1-37.8170.7-162.1-166.6-175.7-168.30111.8V93 D96 T97 A114 C115 I116 A122V93-K118 HydrophobicContact CG2-CD 4.14Å; V93-K118 HydrophobicContact CG2-CG 4.01Å; D96-K118 IonicContact OD2-NZ 2.65Å; D96-K118 PolarHBondContact OD2-NZ 3.05Å; T97-K118 HydrophobicContact CG2-CD 4.37Å; A114-K118 PolarHBondContact O-N 3.16Å; A114-K118 VanDerWaalsContact O-N 3.1Å; C115-K118 WeakPolarHBondContact O-CB 3.5Å; C115-K118 PolarHBondContact O-N 3.48Å; I116-K118 VanDerWaalsContact C-N 3.26Å; I116-K118 PolarHBondContact O-N 2.59Å; K118-A122 PolarHBondContact O-N 2.94Å
119I94.6Very high94.2Very high0 Ų052.4 Ų52.40%027%0.273CS..Hα-helixtrans-65.3-47.5174-60.4172.9000110.4V93 T97 I101 C115 I116 K121 A122 V123 V139 R142 F143V93-I119 HydrophobicContact CG1-CB 4.41Å; V93-I119 HydrophobicContact CG1-CG1 3.99Å; T97-I119 HydrophobicContact CG2-CD1 4.28Å; T97-I119 HydrophobicContact CG2-CG1 3.86Å; I101-I119 HydrophobicContact CD1-CD1 3.64Å; I101-I119 HydrophobicContact CG1-CD1 3.64Å; C115-I119 WeakPolarHBondContact O-CG1 3.39Å; C115-I119 PolarHBondContact O-N 3.43Å; C115-I119 VanDerWaalsContact O-N 3.16Å; I116-I119 CarbonylContact O-C 3.58Å; I116-I119 WeakPolarHBondContact O-CA 3.12Å; I116-I119 WeakPolarHBondContact O-CB 3.33Å; I116-I119 PolarHBondContact O-N 2.97Å; I119-K121 PolarHBondContact O-N 3.25Å; I119-A122 WeakPolarHBondContact O-CA 3.35Å; I119-A122 WeakPolarHBondContact O-CB 3.37Å; I119-A122 PolarHBondContact O-N 3.36Å; I119-V123 PolarHBondContact O-N 3.06Å; I119-V139 HydrophobicContact CG2-CG1 3.6Å; I119-V139 WeakPolarHBondContact O-CG1 3.37Å; I119-R142 HydrophobicContact CD1-CB 4.23Å; I119-R142 HydrophobicContact CG2-CB 4.35Å; I119-F143 HydrophobicContact CG2-CB 3.81Å; I119-F143 HydrophobicContact CG2-CD2 4.26Å
120Q94.3Very high93.9Very high26 Ų2655.3 Ų55.312%0.12129%0.288CS..Hα-helixtrans-57.8-47.6-179-167.6-171.6-46.300112.4I116 A122 V123 E124 F143 Y209I116-Q120 PolarHBondContact O-N 3.22Å; Q120-A122 PolarHBondContact O-N 2.71Å; Q120-V123 CarbonylContact O-C 3.58Å; Q120-V123 WeakPolarHBondContact O-CA 3.38Å; Q120-V123 VanDerWaalsContact O-CB 3.31Å; Q120-V123 WeakPolarHBondContact O-CB 3.48Å; Q120-V123 PolarHBondContact O-N 3.02Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.36Å; Q120-E124 PolarHBondContact NE2-OE1 3.23Å; Q120-E124 WeakPolarHBondContact O-CG 3.21Å; Q120-E124 PolarHBondContact O-N 2.95Å; Q120-F143 HydrophobicContact CB-CD2 4.18Å; Q120-F143 HydrophobicContact CB-CE2 3.78Å; Q120-F143 HydrophobicContact CG-CE2 3.93Å; Q120-F143 HydrophobicContact CG-CZ 4.43Å; Q120-Y209 HydrophobicContact CG-CE1 4.43Å; Q120-Y209 PolarHBondContact NE2-OH 3.36Å; Q120-Y209 VanDerWaalsContact NE2-OH 3.1Å; Q120-Y209 VanDerWaalsContact OE1-CZ 3.23Å
121K93.3Very high93.6Very high125 Ų12552.8 Ų52.854%0.54328%0.279SS..Hα-helixtrans-61-29.3176.3-70.9177.4-179.4-177.50113.3Y90 A117 I119 Y125Y90-K121 HydrophobicContact CE1-CB 4.41Å; A117-K121 WeakPolarHBondContact O-CG 3.32Å; A117-K121 PolarHBondContact O-N 2.96Å; A117-K121 VanDerWaalsContact O-N 3.16Å; I119-K121 PolarHBondContact O-N 3.25Å; K121-Y125 VanDerWaalsContact O-CB 3.23Å; K121-Y125 WeakPolarHBondContact O-CB 3.32Å; K121-Y125 PolarHBondContact O-N 3.31Å
122A93.7Very high93.4Very high0 Ų055.3 Ų55.30%030%0.295CS..Hα-helixtrans-74.4-35.8170.900000112.4Y90 V93 K118 I119 Q120 F126 V139Y90-A122 HydrophobicContact CD1-CB 3.83Å; V93-A122 HydrophobicContact CB-CB 4.12Å; V93-A122 HydrophobicContact CG1-CB 4.07Å; V93-A122 HydrophobicContact CG2-CB 4.09Å; K118-A122 PolarHBondContact O-N 2.94Å; I119-A122 WeakPolarHBondContact O-CA 3.35Å; I119-A122 WeakPolarHBondContact O-CB 3.37Å; I119-A122 PolarHBondContact O-N 3.36Å; Q120-A122 PolarHBondContact O-N 2.71Å; A122-F126 HydrophobicContact CB-CD2 4.49Å; A122-F126 WeakPolarHBondContact O-CB 3.09Å; A122-F126 WeakPolarHBondContact O-CD2 3.46Å; A122-F126 PolarHBondContact O-N 2.71Å; A122-V139 HydrophobicContact CB-CG1 3.8Å; A122-V139 HydrophobicContact CB-CG2 4.46Å
123V93.4Very high93.1Very high14 Ų1455.5 Ų55.59%0.08530%0.297CS..Hα-helixtrans-61-49.2171.51780000110.4I119 Q120 F126 Q127 L136 V139 K140 F143I119-V123 PolarHBondContact O-N 3.06Å; Q120-V123 CarbonylContact O-C 3.58Å; Q120-V123 WeakPolarHBondContact O-CA 3.38Å; Q120-V123 VanDerWaalsContact O-CB 3.31Å; Q120-V123 WeakPolarHBondContact O-CB 3.48Å; Q120-V123 PolarHBondContact O-N 3.02Å; V123-F126 PolarHBondContact O-N 3.01Å; V123-Q127 HydrophobicContact CG1-CG 4.47Å; V123-Q127 WeakPolarHBondContact O-CB 3.4Å; V123-Q127 WeakPolarHBondContact O-CG 3.41Å; V123-Q127 PolarHBondContact O-N 3.15Å; V123-L136 HydrophobicContact CG1-CD1 4.1Å; V123-L136 WeakPolarHBondContact O-CD1 3.49Å; V123-V139 HydrophobicContact CG2-CB 4.27Å; V123-V139 HydrophobicContact CG2-CG1 3.5Å; V123-K140 HydrophobicContact CG1-CD 4.48Å; V123-K140 HydrophobicContact CG1-CG 3.79Å; V123-K140 HydrophobicContact CG2-CG 4.14Å; V123-F143 HydrophobicContact CG2-CB 4.35Å
124E93.4Very high92.8Very high84 Ų8458.1 Ų58.139%0.39332%0.316SS..Hα-helixtrans-57.5-55.3176.1-68.2160.7-174.700110.9Q120 F126 Q127 D128Q120-E124 WeakPolarHBondContact CG-OE1 3.36Å; Q120-E124 PolarHBondContact NE2-OE1 3.23Å; Q120-E124 WeakPolarHBondContact O-CG 3.21Å; Q120-E124 PolarHBondContact O-N 2.95Å; E124-F126 PolarHBondContact O-N 3.33Å; E124-Q127 PolarHBondContact O-N 2.98Å; E124-Q127 VanDerWaalsContact O-N 3.09Å; E124-D128 PolarHBondContact O-N 3.08Å
125Y93.3Very high92.6Very high48 Ų4858.3 Ų58.319%0.18831%0.305CS..Hα-helixtrans-53.3-49.1178.1173.7-99.3000112.7V87 Y90 K121 D128 N129V87-Y125 WeakPolarHBondContact CG1-OH 3.47Å; Y90-Y125 HydrophobicContact CD1-CD1 4.41Å; Y90-Y125 HydrophobicContact CD1-CG 4.32Å; Y90-Y125 AromaticContact CD2-CD1 3.47Å; Y90-Y125 HydrophobicContact CD2-CD1 3.47Å; Y90-Y125 VanDerWaalsContact CD2-CD1 3.47Å; Y90-Y125 AromaticContact CD2-CD2 3.88Å; Y90-Y125 HydrophobicContact CD2-CD2 3.88Å; Y90-Y125 AromaticContact CD2-CE1 3.81Å; Y90-Y125 HydrophobicContact CD2-CE1 3.81Å; Y90-Y125 HydrophobicContact CD2-CE2 4.2Å; Y90-Y125 AromaticContact CD2-CG 3.52Å; Y90-Y125 HydrophobicContact CD2-CG 3.52Å; Y90-Y125 HydrophobicContact CE1-CG 4.43Å; Y90-Y125 HydrophobicContact CE2-CD1 4.12Å; Y90-Y125 AromaticContact CE2-CD2 3.68Å; Y90-Y125 HydrophobicContact CE2-CD2 3.68Å; Y90-Y125 HydrophobicContact CE2-CE2 4.17Å; Y90-Y125 AromaticContact CE2-CG 3.67Å; Y90-Y125 HydrophobicContact CE2-CG 3.67Å; Y90-Y125 AromaticContact CG-CD1 3.65Å; Y90-Y125 HydrophobicContact CG-CD1 3.65Å; Y90-Y125 HydrophobicContact CG-CE1 4.28Å; Y90-Y125 AromaticContact CG-CG 3.88Å; Y90-Y125 HydrophobicContact CG-CG 3.88Å; K121-Y125 VanDerWaalsContact O-CB 3.23Å; K121-Y125 WeakPolarHBondContact O-CB 3.32Å; K121-Y125 PolarHBondContact O-N 3.31Å; Y125-D128 PolarHBondContact O-N 3Å; Y125-N129 WeakPolarHBondContact CD2-ND2 3.43Å; Y125-N129 HydrophobicContact CE2-CB 4.28Å; Y125-N129 WeakPolarHBondContact CE2-ND2 3.21Å; Y125-N129 WeakPolarHBondContact O-CB 3.39Å; Y125-N129 PolarHBondContact O-N 2.83Å; Y125-N129 PolarHBondContact O-ND2 3.15Å
126F93.8Very high92.5Very high1 Ų158 Ų580%0.00430%0.303CS..Hα-helixtrans-72.8-27.4-179.8-73.2-55.7000113Y91 A122 V123 E124 N130 E135 L136 V139Y91-F126 HydrophobicContact CD1-CE1 4.47Å; Y91-F126 HydrophobicContact CD1-CZ 4.13Å; Y91-F126 HydrophobicContact CD2-CE1 4.18Å; Y91-F126 AromaticContact CD2-CZ 3.95Å; Y91-F126 HydrophobicContact CD2-CZ 3.95Å; Y91-F126 HydrophobicContact CE1-CE1 4.03Å; Y91-F126 HydrophobicContact CE1-CZ 4.15Å; Y91-F126 AromaticContact CE2-CE1 3.71Å; Y91-F126 HydrophobicContact CE2-CE1 3.71Å; Y91-F126 AromaticContact CE2-CZ 3.98Å; Y91-F126 HydrophobicContact CE2-CZ 3.98Å; Y91-F126 HydrophobicContact CG-CZ 4.02Å; Y91-F126 AromaticContact CZ-CE1 3.62Å; A122-F126 HydrophobicContact CB-CD2 4.49Å; A122-F126 WeakPolarHBondContact O-CB 3.09Å; A122-F126 WeakPolarHBondContact O-CD2 3.46Å; A122-F126 PolarHBondContact O-N 2.71Å; V123-F126 PolarHBondContact O-N 3.01Å; E124-F126 PolarHBondContact O-N 3.33Å; F126-N130 CarbonylContact O-C 3.59Å; F126-N130 WeakPolarHBondContact O-CA 3.5Å; F126-N130 PolarHBondContact O-N 3.48Å; F126-N130 VanDerWaalsContact O-O 3.08Å; F126-E135 HydrophobicContact CD2-CB 4.43Å; F126-E135 HydrophobicContact CE1-CB 4.27Å; F126-E135 HydrophobicContact CE2-CB 4.03Å; F126-E135 HydrophobicContact CZ-CB 3.95Å; F126-E135 HydrophobicContact CZ-CG 4.47Å; F126-L136 HydrophobicContact CB-CB 3.89Å; F126-L136 HydrophobicContact CB-CD1 3.69Å; F126-L136 HydrophobicContact CB-CG 4.26Å; F126-V139 HydrophobicContact CD2-CG2 4.3Å; F126-V139 HydrophobicContact CE2-CG2 4.21Å
127Q93.6Very high92.4Very high94 Ų9462.9 Ų62.944%0.43933%0.329SS..Hα-helixtrans-66.3-42.4171.8-82.8-175.3-124.100112.4V123 E124 L136V123-Q127 HydrophobicContact CG1-CG 4.47Å; V123-Q127 WeakPolarHBondContact O-CB 3.4Å; V123-Q127 WeakPolarHBondContact O-CG 3.41Å; V123-Q127 PolarHBondContact O-N 3.15Å; E124-Q127 PolarHBondContact O-N 2.98Å; E124-Q127 VanDerWaalsContact O-N 3.09Å; Q127-L136 HydrophobicContact CG-CD1 3.86Å; Q127-L136 HydrophobicContact CG-CD2 3.89Å
128D93.3Very high92.3Very high138 Ų13864.4 Ų64.474%0.73834%0.335SS*.Hα-helixtrans-78.3-31.1-177.3-69.3-14.7000112.7E124 Y125E124-D128 PolarHBondContact O-N 3.08Å; Y125-D128 PolarHBondContact O-N 3Å
129N90.8Very high92.3Very high100 Ų10060.5 Ų60.554%0.53532%0.318SS..Hα-helixtrans-106.7-28-171.2-65.4-96.7000114.6Y125Y125-N129 WeakPolarHBondContact CD2-ND2 3.43Å; Y125-N129 HydrophobicContact CE2-CB 4.28Å; Y125-N129 WeakPolarHBondContact CE2-ND2 3.21Å; Y125-N129 WeakPolarHBondContact O-CB 3.39Å; Y125-N129 PolarHBondContact O-N 2.83Å; Y125-N129 PolarHBondContact O-ND2 3.15Å
130N89.6Confident92.2Very high70 Ų7064.1 Ų64.137%0.37433%0.334SS..  trans-155.272.3-175.9-161-10.5000113.1F126 D132 S133F126-N130 CarbonylContact O-C 3.59Å; F126-N130 WeakPolarHBondContact O-CA 3.5Å; F126-N130 PolarHBondContact O-N 3.48Å; F126-N130 VanDerWaalsContact O-O 3.08Å; N130-D132 VanDerWaalsContact C-N 3.32Å; N130-D132 PolarHBondContact O-N 2.99Å; N130-S133 WeakPolarHBondContact O-CB 3.34Å; N130-S133 PolarHBondContact O-N 2.87Å; N130-S133 PolarHBondContact O-OG 2.88Å
131P88.9Confident92.2Very high80 Ų8065.8 Ų65.852%0.51935%0.352SS..THydrogen-bonded Turntrans-60.3-31.6-166.8-23.832.1000115.8L136P131-L136 VanDerWaalsContact O-CD2 3.24Å; P131-L136 WeakPolarHBondContact O-CD2 3.46Å
132D89.9Confident92.2Very high153 Ų15363.2 Ų63.282%0.81834%0.339SS*.THydrogen-bonded Turntrans-93.99.7-174.9-62.9-58.2000113.3N130N130-D132 VanDerWaalsContact C-N 3.32Å; N130-D132 PolarHBondContact O-N 2.99Å
133S90Very high92.2Very high4 Ų464.3 Ų64.33%0.02834%0.344CS..  trans-70141.2-174.856.60000114N130 E135 L136 N137N130-S133 WeakPolarHBondContact O-CB 3.34Å; N130-S133 PolarHBondContact O-N 2.87Å; N130-S133 PolarHBondContact O-OG 2.88Å; S133-E135 PolarHBondContact O-N 3.48Å; S133-L136 PolarHBondContact O-N 3.17Å; S133-L136 VanDerWaalsContact OG-CB 3.28Å; S133-L136 WeakPolarHBondContact OG-CB 3.3Å; S133-L136 PolarHBondContact OG-N 3.33Å; S133-N137 PolarHBondContact O-N 2.93Å; S133-N137 PolarHBondContact O-ND2 3.25Å
134P90.8Very high92.1Very high86 Ų8665.9 Ų65.956%0.55835%0.35SS*.Hα-helixtrans-66.5-25.4171.627.6-33.4000112.1N137 T138P134-N137 PolarHBondContact O-N 3.46Å; P134-T138 PolarHBondContact O-N 3.25Å; P134-T138 PolarHBondContact O-OG1 2.96Å
135E90.1Very high92.2Very high69 Ų6966.3 Ų66.332%0.32235%0.351SS..Hα-helixtrans-61.8-47.8171.4-67.272.7-156.800111.2Y91 F126 S133 N137 T138 V139Y91-E135 HydrophobicContact CD1-CG 3.73Å; Y91-E135 HydrophobicContact CE1-CG 3.75Å; F126-E135 HydrophobicContact CD2-CB 4.43Å; F126-E135 HydrophobicContact CE1-CB 4.27Å; F126-E135 HydrophobicContact CE2-CB 4.03Å; F126-E135 HydrophobicContact CZ-CB 3.95Å; F126-E135 HydrophobicContact CZ-CG 4.47Å; S133-E135 PolarHBondContact O-N 3.48Å; E135-N137 VanDerWaalsContact C-N 3.29Å; E135-N137 PolarHBondContact O-N 2.93Å; E135-T138 WeakPolarHBondContact O-CA 3.36Å; E135-T138 WeakPolarHBondContact O-CB 3.43Å; E135-T138 PolarHBondContact O-N 3.18Å; E135-V139 WeakPolarHBondContact O-CG2 3.31Å; E135-V139 PolarHBondContact O-N 2.92Å
136L92.8Very high92.2Very high3 Ų364 Ų642%0.01634%0.342CS..Hα-helixtrans-56.6-44.2177.3-179.259.4000112.1V123 F126 Q127 P131 S133 T138 V139 K140V123-L136 HydrophobicContact CG1-CD1 4.1Å; V123-L136 WeakPolarHBondContact O-CD1 3.49Å; F126-L136 HydrophobicContact CB-CB 3.89Å; F126-L136 HydrophobicContact CB-CD1 3.69Å; F126-L136 HydrophobicContact CB-CG 4.26Å; Q127-L136 HydrophobicContact CG-CD1 3.86Å; Q127-L136 HydrophobicContact CG-CD2 3.89Å; P131-L136 VanDerWaalsContact O-CD2 3.24Å; P131-L136 WeakPolarHBondContact O-CD2 3.46Å; S133-L136 PolarHBondContact O-N 3.17Å; S133-L136 VanDerWaalsContact OG-CB 3.28Å; S133-L136 WeakPolarHBondContact OG-CB 3.3Å; S133-L136 PolarHBondContact OG-N 3.33Å; L136-T138 VanDerWaalsContact C-N 3.32Å; L136-T138 PolarHBondContact O-N 2.82Å; L136-V139 PolarHBondContact O-N 3.43Å; L136-K140 HydrophobicContact CD1-CD 4.06Å; L136-K140 HydrophobicContact CD1-CG 4.15Å; L136-K140 HydrophobicContact CG-CD 4Å; L136-K140 HydrophobicContact CG-CG 4.47Å; L136-K140 VanDerWaalsContact O-CB 3.29Å; L136-K140 WeakPolarHBondContact O-CB 3.47Å; L136-K140 WeakPolarHBondContact O-CG 3.09Å; L136-K140 PolarHBondContact O-N 2.98Å
137N92.7Very high92.1Very high103 Ų10364.5 Ų64.555%0.55134%0.344SS*.Hα-helixtrans-63-39.3177.2-71.4-66000111.8S133 P134 E135 A141S133-N137 PolarHBondContact O-N 2.93Å; S133-N137 PolarHBondContact O-ND2 3.25Å; P134-N137 PolarHBondContact O-N 3.46Å; E135-N137 VanDerWaalsContact C-N 3.29Å; E135-N137 PolarHBondContact O-N 2.93Å; N137-A141 WeakPolarHBondContact O-CB 3.39Å; N137-A141 PolarHBondContact O-N 2.81Å
138T92.5Very high92.1Very high70 Ų7064.8 Ų64.843%0.42935%0.345SS..Hα-helixtrans-65.8-47.9176.2-56.40000111.7A94 P134 E135 L136 A141 R142A94-T138 HydrophobicContact CB-CG2 4.09Å; P134-T138 PolarHBondContact O-N 3.25Å; P134-T138 PolarHBondContact O-OG1 2.96Å; E135-T138 WeakPolarHBondContact O-CA 3.36Å; E135-T138 WeakPolarHBondContact O-CB 3.43Å; E135-T138 PolarHBondContact O-N 3.18Å; L136-T138 VanDerWaalsContact C-N 3.32Å; L136-T138 PolarHBondContact O-N 2.82Å; T138-A141 PolarHBondContact O-N 3.1Å; T138-R142 WeakPolarHBondContact O-CG 3.44Å; T138-R142 PolarHBondContact O-N 2.87Å; T138-R142 VanDerWaalsContact O-N 3.07Å
139V93.6Very high92.2Very high3 Ų360.3 Ų60.32%0.01832%0.321CS..Hα-helixtrans-66.5-42.7-179.9-178.50000110.7A94 I119 A122 V123 F126 E135 L136 A141 R142 F143A94-V139 HydrophobicContact CB-CG2 4.22Å; I119-V139 HydrophobicContact CG2-CG1 3.6Å; I119-V139 WeakPolarHBondContact O-CG1 3.37Å; A122-V139 HydrophobicContact CB-CG1 3.8Å; A122-V139 HydrophobicContact CB-CG2 4.46Å; V123-V139 HydrophobicContact CG2-CB 4.27Å; V123-V139 HydrophobicContact CG2-CG1 3.5Å; F126-V139 HydrophobicContact CD2-CG2 4.3Å; F126-V139 HydrophobicContact CE2-CG2 4.21Å; E135-V139 WeakPolarHBondContact O-CG2 3.31Å; E135-V139 PolarHBondContact O-N 2.92Å; L136-V139 PolarHBondContact O-N 3.43Å; V139-A141 PolarHBondContact O-N 2.82Å; V139-R142 WeakPolarHBondContact O-CB 3.41Å; V139-R142 PolarHBondContact O-N 3.09Å; V139-R142 VanDerWaalsContact O-N 3.09Å; V139-F143 PolarHBondContact O-N 3.32Å
140K92.8Very high92.3Very high75 Ų7555.5 Ų55.533%0.32630%0.295SS..Hα-helixtrans-57.8-44.1172.5-80.2175.6170.1161.10112.3V123 L136 R142 F143 E144V123-K140 HydrophobicContact CG1-CD 4.48Å; V123-K140 HydrophobicContact CG1-CG 3.79Å; V123-K140 HydrophobicContact CG2-CG 4.14Å; L136-K140 HydrophobicContact CD1-CD 4.06Å; L136-K140 HydrophobicContact CD1-CG 4.15Å; L136-K140 HydrophobicContact CG-CD 4Å; L136-K140 HydrophobicContact CG-CG 4.47Å; L136-K140 VanDerWaalsContact O-CB 3.29Å; L136-K140 WeakPolarHBondContact O-CB 3.47Å; L136-K140 WeakPolarHBondContact O-CG 3.09Å; L136-K140 PolarHBondContact O-N 2.98Å; K140-R142 VanDerWaalsContact C-N 3.28Å; K140-R142 PolarHBondContact O-N 2.89Å; K140-F143 PolarHBondContact O-N 3.47Å; K140-F143 VanDerWaalsContact O-N 3.16Å; K140-E144 PolarHBondContact O-N 3.45Å
141A93.1Very high92.5Very high61 Ų6154.8 Ų54.850%0.50429%0.29SS..Hα-helixtrans-63.2-32.8175.800000112.7N137 T138 V139 K145N137-A141 WeakPolarHBondContact O-CB 3.39Å; N137-A141 PolarHBondContact O-N 2.81Å; T138-A141 PolarHBondContact O-N 3.1Å; V139-A141 PolarHBondContact O-N 2.82Å; A141-K145 WeakPolarHBondContact O-CB 3.39Å; A141-K145 PolarHBondContact O-N 2.86Å; A141-K145 VanDerWaalsContact O-N 3.14Å
142R93.3Very high92.8Very high71 Ų7153.7 Ų53.727%0.26829%0.287SS..Hα-helixtrans-72-36.3171.6-62.9-45.1-168.2120.25113.1D98 I119 T138 V139 K140 K145 G146D98-R142 IonicContact OD1-CZ 3.13Å; D98-R142 IonicContact OD1-NH1 2.68Å; D98-R142 PolarHBondContact OD1-NH1 2.93Å; D98-R142 IonicContact OD1-NH2 2.68Å; D98-R142 PolarHBondContact OD1-NH2 2.89Å; I119-R142 HydrophobicContact CD1-CB 4.23Å; I119-R142 HydrophobicContact CG2-CB 4.35Å; T138-R142 WeakPolarHBondContact O-CG 3.44Å; T138-R142 PolarHBondContact O-N 2.87Å; T138-R142 VanDerWaalsContact O-N 3.07Å; V139-R142 WeakPolarHBondContact O-CB 3.41Å; V139-R142 PolarHBondContact O-N 3.09Å; V139-R142 VanDerWaalsContact O-N 3.09Å; K140-R142 VanDerWaalsContact C-N 3.28Å; K140-R142 PolarHBondContact O-N 2.89Å; R142-K145 PolarHBondContact O-N 3.02Å; R142-G146 PolarHBondContact O-N 3.08Å
143F93.9Very high93.1Very high23 Ų2347.5 Ų47.510%0.10125%0.254CS..Hα-helixtrans-64.1-52176.5-173.8-97.1000111.5I116 I119 Q120 V123 V139 K140 K145 G146 K147 W205 Y209I116-F143 HydrophobicContact CG2-CD2 3.98Å; I116-F143 HydrophobicContact CG2-CE2 3.68Å; I119-F143 HydrophobicContact CG2-CB 3.81Å; I119-F143 HydrophobicContact CG2-CD2 4.26Å; Q120-F143 HydrophobicContact CB-CD2 4.18Å; Q120-F143 HydrophobicContact CB-CE2 3.78Å; Q120-F143 HydrophobicContact CG-CE2 3.93Å; Q120-F143 HydrophobicContact CG-CZ 4.43Å; V123-F143 HydrophobicContact CG2-CB 4.35Å; V139-F143 PolarHBondContact O-N 3.32Å; K140-F143 PolarHBondContact O-N 3.47Å; K140-F143 VanDerWaalsContact O-N 3.16Å; F143-K145 VanDerWaalsContact C-N 3.3Å; F143-K145 PolarHBondContact O-N 2.95Å; F143-G146 WeakPolarHBondContact O-CA 3.33Å; F143-G146 PolarHBondContact O-N 3.32Å; F143-G146 VanDerWaalsContact O-N 3.08Å; F143-K147 PolarHBondContact O-N 3.14Å; F143-W205 HydrophobicContact CE1-CH2 4.27Å; F143-W205 HydrophobicContact CE2-CH2 4.21Å; F143-W205 AromaticContact CE2-CZ2 3.81Å; F143-W205 HydrophobicContact CE2-CZ2 3.81Å; F143-W205 AromaticContact CZ-CH2 3.75Å; F143-W205 HydrophobicContact CZ-CH2 3.75Å; F143-W205 AromaticContact CZ-CZ2 3.62Å; F143-W205 HydrophobicContact CZ-CZ2 3.62Å; F143-Y209 HydrophobicContact CZ-CD1 4.03Å; F143-Y209 HydrophobicContact CZ-CG 4.23Å
144E92.9Very high93.4Very high48 Ų4847.4 Ų47.422%0.22425%0.252CS..Hα-helixtrans-60.1-40176-64.3-63152.700111.5K140 G146 K147 E148 R211K140-E144 PolarHBondContact O-N 3.45Å; E144-G146 VanDerWaalsContact C-N 3.32Å; E144-G146 PolarHBondContact O-N 2.96Å; E144-K147 WeakPolarHBondContact O-CB 3.33Å; E144-K147 PolarHBondContact O-N 3.21Å; E144-E148 PolarHBondContact O-N 2.94Å; E144-R211 VanDerWaalsContact CD-NE 3.25Å; E144-R211 IonicContact OE1-CZ 3.54Å; E144-R211 IonicContact OE1-NE 2.71Å; E144-R211 PolarHBondContact OE1-NE 3.16Å; E144-R211 IonicContact OE1-NH2 2.67Å; E144-R211 PolarHBondContact OE1-NH2 3.05Å; E144-R211 IonicContact OE2-CZ 3.15Å; E144-R211 IonicContact OE2-NE 2.71Å; E144-R211 PolarHBondContact OE2-NE 2.86Å; E144-R211 VanDerWaalsContact OE2-NE 3.11Å; E144-R211 IonicContact OE2-NH2 3.9Å
145K93.6Very high93.7Very high92 Ų9248.7 Ų48.740%0.425%0.246SC..Hα-helixtrans-68.4-30.9176.2-169.449.6175166.60113.2A141 R142 F143 E148 L149A141-K145 WeakPolarHBondContact O-CB 3.39Å; A141-K145 PolarHBondContact O-N 2.86Å; A141-K145 VanDerWaalsContact O-N 3.14Å; R142-K145 PolarHBondContact O-N 3.02Å; F143-K145 VanDerWaalsContact C-N 3.3Å; F143-K145 PolarHBondContact O-N 2.95Å; K145-E148 HydrophobicContact CD-CB 4.29Å; K145-E148 WeakPolarHBondContact CD-OE2 3.38Å; K145-E148 WeakPolarHBondContact CE-OE2 3.45Å; K145-E148 IonicContact NZ-OE2 2.82Å; K145-E148 PolarHBondContact NZ-OE2 3.41Å; K145-L149 WeakPolarHBondContact O-CD1 3.36Å; K145-L149 WeakPolarHBondContact O-CG 3.14Å; K145-L149 PolarHBondContact O-N 2.95Å
146G93.7Very high94Very high0 Ų047 Ų470%025%0.248CC..Hα-helixtrans-63.7-46.217000000112.1R142 F143 E144 L149 L150R142-G146 PolarHBondContact O-N 3.08Å; F143-G146 WeakPolarHBondContact O-CA 3.33Å; F143-G146 PolarHBondContact O-N 3.32Å; F143-G146 VanDerWaalsContact O-N 3.08Å; E144-G146 VanDerWaalsContact C-N 3.32Å; E144-G146 PolarHBondContact O-N 2.96Å; G146-L149 PolarHBondContact O-N 3.34Å; G146-L150 PolarHBondContact O-N 3.26Å; G146-L150 VanDerWaalsContact O-N 3.13Å
147K92.3Very high94.2Very high11 Ų1147.4 Ų47.45%0.04825%0.25CC..Hα-helixtrans-59.3-48.4174.6170.9177.4179.7-750112.8F143 E144 L149 L150 E151 W205 L206 N212F143-K147 PolarHBondContact O-N 3.14Å; E144-K147 WeakPolarHBondContact O-CB 3.33Å; E144-K147 PolarHBondContact O-N 3.21Å; K147-L149 PolarHBondContact O-N 2.91Å; K147-L149 VanDerWaalsContact O-N 3.14Å; K147-L150 PolarHBondContact O-N 3.14Å; K147-E151 VanDerWaalsContact CE-OE1 3.3Å; K147-E151 WeakPolarHBondContact CE-OE1 3.39Å; K147-E151 IonicContact NZ-OE1 2.69Å; K147-E151 PolarHBondContact NZ-OE1 3.23Å; K147-E151 PolarHBondContact O-N 3.4Å; K147-W205 HydrophobicContact CB-CH2 4.04Å; K147-W205 HydrophobicContact CB-CZ3 3.97Å; K147-W205 HydrophobicContact CG-CZ3 4.09Å; K147-L206 HydrophobicContact CG-CD2 4.27Å; K147-N212 PolarHBondContact NZ-OD1 2.78Å; K147-N212 VanDerWaalsContact NZ-OD1 3.1Å
148E92.9Very high94.4Very high100 Ų10042.5 Ų42.547%0.46722%0.224SC..Hα-helixtrans-53.3-35.5176.5-77.4179.3-161.800112.3E144 K145 A152E144-E148 PolarHBondContact O-N 2.94Å; K145-E148 HydrophobicContact CD-CB 4.29Å; K145-E148 WeakPolarHBondContact CD-OE2 3.38Å; K145-E148 WeakPolarHBondContact CE-OE2 3.45Å; K145-E148 IonicContact NZ-OE2 2.82Å; K145-E148 PolarHBondContact NZ-OE2 3.41Å; E148-A152 WeakPolarHBondContact O-CB 3.39Å; E148-A152 PolarHBondContact O-N 3.42Å
149L95.2Very high94.6Very high44 Ų4443.1 Ų43.123%0.2323%0.227CC..Hα-helixtrans-80.4-28-179.8-69.4168.8000112.8I101 Y112 K145 G146 K147 E153I101-L149 WeakPolarHBondContact O-CD1 3.5Å; Y112-L149 WeakPolarHBondContact OH-CB 3.37Å; Y112-L149 VanDerWaalsContact OH-CD1 3.32Å; Y112-L149 WeakPolarHBondContact OH-CD1 3.23Å; K145-L149 WeakPolarHBondContact O-CD1 3.36Å; K145-L149 WeakPolarHBondContact O-CG 3.14Å; K145-L149 PolarHBondContact O-N 2.95Å; G146-L149 PolarHBondContact O-N 3.34Å; K147-L149 PolarHBondContact O-N 2.91Å; K147-L149 VanDerWaalsContact O-N 3.14Å; L149-E153 WeakPolarHBondContact O-CB 3.4Å; L149-E153 PolarHBondContact O-N 3.04Å
150L94.5Very high94.7Very high0 Ų051 Ų510%026%0.257CS..Hα-helixtrans-69.2-42.5168-70.3172.9000111.7P105 L109 Y112 L113 I116 G146 K147 A152 E153 F154 I202 W205 L206P105-L150 HydrophobicContact CB-CD2 4.13Å; P105-L150 HydrophobicContact CG-CD2 4.34Å; L109-L150 HydrophobicContact CD1-CD2 3.85Å; Y112-L150 HydrophobicContact CD1-CD2 3.88Å; Y112-L150 HydrophobicContact CD1-CG 4.28Å; Y112-L150 HydrophobicContact CE1-CD2 4.03Å; Y112-L150 HydrophobicContact CE1-CG 3.99Å; L113-L150 HydrophobicContact CD2-CD1 3.91Å; L113-L150 HydrophobicContact CD2-CD2 4.14Å; I116-L150 HydrophobicContact CD1-CD1 3.8Å; I116-L150 HydrophobicContact CD1-CG 4.31Å; G146-L150 PolarHBondContact O-N 3.26Å; G146-L150 VanDerWaalsContact O-N 3.13Å; K147-L150 PolarHBondContact O-N 3.14Å; L150-A152 VanDerWaalsContact C-N 3.29Å; L150-A152 PolarHBondContact O-N 3.2Å; L150-E153 PolarHBondContact O-N 2.89Å; L150-F154 WeakPolarHBondContact O-CB 3.39Å; L150-F154 PolarHBondContact O-N 2.95Å; L150-I202 HydrophobicContact CB-CG2 4.18Å; L150-I202 HydrophobicContact CD2-CG1 4.29Å; L150-W205 HydrophobicContact CD1-CD2 3.75Å; L150-W205 HydrophobicContact CD1-CE3 3.35Å; L150-W205 HydrophobicContact CD1-CG 4.48Å; L150-W205 HydrophobicContact CD1-CH2 4.21Å; L150-W205 HydrophobicContact CD1-CZ3 3.61Å; L150-L206 HydrophobicContact CB-CD2 4.49Å
151E93.8Very high94.9Very high55 Ų5550.6 Ų50.626%0.25725%0.254SS..Hα-helixtrans-61.1-39.4173.1-68.9177-177.700111.6K147 R155 L206K147-E151 VanDerWaalsContact CE-OE1 3.3Å; K147-E151 WeakPolarHBondContact CE-OE1 3.39Å; K147-E151 IonicContact NZ-OE1 2.69Å; K147-E151 PolarHBondContact NZ-OE1 3.23Å; K147-E151 PolarHBondContact O-N 3.4Å; E151-R155 WeakPolarHBondContact O-CB 3.39Å; E151-R155 PolarHBondContact O-N 3.24Å; E151-R155 VanDerWaalsContact O-N 3.13Å; E151-L206 HydrophobicContact CG-CD1 4.02Å; E151-L206 HydrophobicContact CG-CD2 3.67Å
152A94.6Very high95Very high56 Ų5648.1 Ų48.146%0.46323%0.232SC..Hα-helixtrans-67.7-39.7174.700000113E148 L150 G156E148-A152 WeakPolarHBondContact O-CB 3.39Å; E148-A152 PolarHBondContact O-N 3.42Å; L150-A152 VanDerWaalsContact C-N 3.29Å; L150-A152 PolarHBondContact O-N 3.2Å; A152-G156 PolarHBondContact O-N 2.93Å
153E95.9Very high95.1Very high24 Ų2451.4 Ų51.411%0.11225%0.249CC..Hα-helixtrans-68.6-45.3176.7-170.366.7-152.800111.6P105 T106 L149 L150 R155 G156 L157 I202P105-E153 HydrophobicContact CB-CG 4.39Å; P105-E153 HydrophobicContact CG-CB 3.56Å; P105-E153 HydrophobicContact CG-CG 3.76Å; T106-E153 WeakPolarHBondContact CB-OE2 3.18Å; T106-E153 PolarHBondContact OG1-OE2 3.45Å; L149-E153 WeakPolarHBondContact O-CB 3.4Å; L149-E153 PolarHBondContact O-N 3.04Å; L150-E153 PolarHBondContact O-N 2.89Å; E153-R155 VanDerWaalsContact C-N 3.3Å; E153-R155 PolarHBondContact O-N 3.03Å; E153-G156 CarbonylContact O-C 3.23Å; E153-G156 WeakPolarHBondContact O-CA 3.5Å; E153-G156 PolarHBondContact O-N 3.13Å; E153-L157 HydrophobicContact CG-CD1 4.13Å; E153-L157 HydrophobicContact CG-CG 4.2Å; E153-L157 WeakPolarHBondContact O-CG 3.44Å; E153-L157 PolarHBondContact O-N 3.36Å; E153-I202 HydrophobicContact CB-CD1 4.35Å; E153-I202 HydrophobicContact CG-CD1 4.09Å
154F96.4Very high95.2Very high1 Ų152.2 Ų52.20%0.00426%0.256CS..Hα-helixtrans-52.3-49.3173.1-178.8-93.3000111.3L150 G156 L158 I199 I202 F215 Y219 I361L150-F154 WeakPolarHBondContact O-CB 3.39Å; L150-F154 PolarHBondContact O-N 2.95Å; F154-G156 VanDerWaalsContact C-N 3.34Å; F154-G156 PolarHBondContact O-N 3.08Å; F154-L158 HydrophobicContact CD1-CD1 3.73Å; F154-L158 HydrophobicContact CE1-CD1 3.28Å; F154-L158 HydrophobicContact CE2-CD1 4.26Å; F154-L158 HydrophobicContact CG-CD1 4.37Å; F154-L158 HydrophobicContact CZ-CD1 3.59Å; F154-L158 WeakPolarHBondContact O-CB 3.47Å; F154-L158 WeakPolarHBondContact O-CG 3.38Å; F154-L158 PolarHBondContact O-N 2.97Å; F154-L158 VanDerWaalsContact O-N 3.14Å; F154-I199 HydrophobicContact CD2-CG2 4.16Å; F154-I199 HydrophobicContact CE2-CG2 3.69Å; F154-I202 HydrophobicContact CB-CG2 3.83Å; F154-I202 HydrophobicContact CD2-CB 4.33Å; F154-I202 HydrophobicContact CD2-CG2 4.1Å; F154-I202 HydrophobicContact CG-CG2 4.39Å; F154-F215 HydrophobicContact CD1-CB 4.09Å; F154-F215 HydrophobicContact CE1-CB 4.02Å; F154-F215 AromaticContact CE1-CD2 3.86Å; F154-F215 HydrophobicContact CE1-CD2 3.86Å; F154-F215 HydrophobicContact CE1-CG 4.46Å; F154-F215 WeakPolarHBondContact CE1-O 3.35Å; F154-F215 HydrophobicContact CE2-CD2 4.08Å; F154-F215 AromaticContact CZ-CD2 3.6Å; F154-F215 HydrophobicContact CZ-CD2 3.6Å; F154-F215 HydrophobicContact CZ-CE2 4.32Å; F154-Y219 HydrophobicContact CZ-CD2 4.31Å; F154-I361 HydrophobicContact CE2-CG2 4.14Å; F154-I361 HydrophobicContact CZ-CG2 4.26Å
155R96.8Very high95.4Very high113 Ų11350.8 Ų50.843%0.42625%0.251SS..Hα-helixtrans-61.2-41.8173.7-175.8174.4-120.2-70.9-0.3111.9E151 E153 T159 V218 I222E151-R155 WeakPolarHBondContact O-CB 3.39Å; E151-R155 PolarHBondContact O-N 3.24Å; E151-R155 VanDerWaalsContact O-N 3.13Å; E153-R155 VanDerWaalsContact C-N 3.3Å; E153-R155 PolarHBondContact O-N 3.03Å; R155-T159 VanDerWaalsContact O-CB 3.22Å; R155-T159 WeakPolarHBondContact O-CB 3.39Å; R155-T159 PolarHBondContact O-N 2.89Å; R155-T159 PolarHBondContact O-OG1 3.37Å; R155-V218 HydrophobicContact CB-CG1 3.9Å; R155-V218 HydrophobicContact CG-CG1 3.76Å; R155-I222 HydrophobicContact CG-CD1 4.44Å
156G96.8Very high95.5Very high35 Ų3549.8 Ų49.836%0.36125%0.253SS..Hα-helixtrans-64.1-50.2-17900000113.1A152 E153 F154 T159 R160A152-G156 PolarHBondContact O-N 2.93Å; E153-G156 CarbonylContact O-C 3.23Å; E153-G156 WeakPolarHBondContact O-CA 3.5Å; E153-G156 PolarHBondContact O-N 3.13Å; F154-G156 VanDerWaalsContact C-N 3.34Å; F154-G156 PolarHBondContact O-N 3.08Å; G156-T159 PolarHBondContact O-N 2.89Å; G156-R160 WeakPolarHBondContact O-CB 3.39Å; G156-R160 PolarHBondContact O-N 3.43Å
157L96.9Very high95.6Very high11 Ų1151.2 Ų51.26%0.05826%0.263CS..Hα-helixtrans-59.4-52.3176.6-66175.8000110.7E153 T159 R160 Y161 V195 D198 I199 I202E153-L157 HydrophobicContact CG-CD1 4.13Å; E153-L157 HydrophobicContact CG-CG 4.2Å; E153-L157 WeakPolarHBondContact O-CG 3.44Å; E153-L157 PolarHBondContact O-N 3.36Å; L157-T159 PolarHBondContact O-N 3.47Å; L157-R160 PolarHBondContact O-N 3.14Å; L157-Y161 HydrophobicContact CD2-CD2 4.38Å; L157-Y161 HydrophobicContact CD2-CE2 4.03Å; L157-Y161 WeakPolarHBondContact O-CD2 3.27Å; L157-Y161 PolarHBondContact O-N 3.07Å; L157-V195 HydrophobicContact CB-CG1 4.13Å; L157-V195 HydrophobicContact CD2-CG1 4.35Å; L157-D198 HydrophobicContact CD1-CB 3.79Å; L157-I199 HydrophobicContact CB-CD1 3.9Å; L157-I199 HydrophobicContact CB-CG1 3.95Å; L157-I199 HydrophobicContact CD1-CG1 3.96Å; L157-I202 HydrophobicContact CD1-CD1 4.02Å
158L96.9Very high95.5Very high0 Ų055.6 Ų55.60%029%0.286CS..Hα-helixtrans-58.1-46.4177.4-75.1170000112.4F154 R160 S162 L191 I199 Y219 I222F154-L158 HydrophobicContact CD1-CD1 3.73Å; F154-L158 HydrophobicContact CE1-CD1 3.28Å; F154-L158 HydrophobicContact CE2-CD1 4.26Å; F154-L158 HydrophobicContact CG-CD1 4.37Å; F154-L158 HydrophobicContact CZ-CD1 3.59Å; F154-L158 WeakPolarHBondContact O-CB 3.47Å; F154-L158 WeakPolarHBondContact O-CG 3.38Å; F154-L158 PolarHBondContact O-N 2.97Å; F154-L158 VanDerWaalsContact O-N 3.14Å; L158-R160 VanDerWaalsContact C-N 3.3Å; L158-R160 PolarHBondContact O-N 3.09Å; L158-S162 WeakPolarHBondContact O-CB 3.29Å; L158-S162 PolarHBondContact O-N 3.33Å; L158-S162 PolarHBondContact O-OG 3.16Å; L158-L191 HydrophobicContact CD2-CD1 4.28Å; L158-I199 HydrophobicContact CD2-CD1 3.83Å; L158-I199 HydrophobicContact CG-CD1 3.96Å; L158-Y219 HydrophobicContact CD1-CD2 3.89Å; L158-Y219 HydrophobicContact CD2-CD2 3.96Å; L158-Y219 HydrophobicContact CD2-CE2 4.12Å; L158-I222 HydrophobicContact CB-CD1 3.71Å; L158-I222 HydrophobicContact CB-CG2 4.22Å; L158-I222 HydrophobicContact CD1-CD1 4.44Å
159T96.7Very high95.5Very high82 Ų8254.8 Ų54.850%0.50328%0.284SS..Hα-helixtrans-67.1-30.7-179.3-54.70000112.3R155 G156 L157 I222R155-T159 VanDerWaalsContact O-CB 3.22Å; R155-T159 WeakPolarHBondContact O-CB 3.39Å; R155-T159 PolarHBondContact O-N 2.89Å; R155-T159 PolarHBondContact O-OG1 3.37Å; G156-T159 PolarHBondContact O-N 2.89Å; L157-T159 PolarHBondContact O-N 3.47Å; T159-I222 WeakPolarHBondContact OG1-CD1 3.48Å
160R96.1Very high95.5Very high169 Ų16952.8 Ų52.864%0.63827%0.274SS*.Hα-helixtrans-83.9-35.7-176.8-179.6176.2177.4-179.3-2113.3G156 L157 L158G156-R160 WeakPolarHBondContact O-CB 3.39Å; G156-R160 PolarHBondContact O-N 3.43Å; L157-R160 PolarHBondContact O-N 3.14Å; L158-R160 VanDerWaalsContact C-N 3.3Å; L158-R160 PolarHBondContact O-N 3.09Å
161Y96.4Very high95.3Very high67 Ų6754.6 Ų54.626%0.26328%0.283SS..Hα-helixtrans-106.8-28.2-171.4-67-73.3000114.2L157 K163 P192 V195L157-Y161 HydrophobicContact CD2-CD2 4.38Å; L157-Y161 HydrophobicContact CD2-CE2 4.03Å; L157-Y161 WeakPolarHBondContact O-CD2 3.27Å; L157-Y161 PolarHBondContact O-N 3.07Å; Y161-K163 PolarHBondContact O-N 3.43Å; Y161-P192 HydrophobicContact CD1-CG 4.06Å; Y161-V195 HydrophobicContact CD1-CG2 4.33Å; Y161-V195 HydrophobicContact CD2-CB 4.28Å; Y161-V195 HydrophobicContact CD2-CG1 3.52Å; Y161-V195 HydrophobicContact CD2-CG2 3.78Å; Y161-V195 HydrophobicContact CE1-CG2 4.25Å; Y161-V195 HydrophobicContact CE2-CG1 4.11Å; Y161-V195 HydrophobicContact CE2-CG2 3.66Å; Y161-V195 HydrophobicContact CG-CG1 3.98Å; Y161-V195 HydrophobicContact CG-CG2 4.1Å
162S95.9Very high95.1Very high8 Ų855.3 Ų55.36%0.05629%0.289CS..  trans-65125.2171.8-53.30000110L158 R223L158-S162 WeakPolarHBondContact O-CB 3.29Å; L158-S162 PolarHBondContact O-N 3.33Å; L158-S162 PolarHBondContact O-OG 3.16Å; S162-R223 PolarHBondContact OG-NH1 2.86Å; S162-R223 VanDerWaalsContact OG-NH1 3.16Å
163K95.3Very high94.8Very high141 Ų14153 Ų5361%0.61327%0.27SS*.  trans-133.5154.8178.1-67.4169.6-171.7165.60109.6Y161Y161-K163 PolarHBondContact O-N 3.43Å
164P96.8Very high94.4Very high40 Ų4053.1 Ų53.126%0.2627%0.271SS..PPolyproline II helixtrans-62.2139168.7-18.632.5000110.5R229 S230P164-R229 HydrophobicContact CB-CB 4.01Å; P164-R229 HydrophobicContact CG-CB 3.67Å; P164-S230 VanDerWaalsContact CA-OG 3.3Å; P164-S230 WeakPolarHBondContact CA-OG 3.39Å
165V96.6Very high93.3Very high17 Ų1756.9 Ų56.910%0.10329%0.294CS..PPolyproline II helixtrans-68131.8176.8-173.80000109.1L169 I170 L188 S230 L350V165-L169 HydrophobicContact CG1-CB 4.15Å; V165-I170 HydrophobicContact CB-CD1 4.21Å; V165-I170 HydrophobicContact CB-CG1 4Å; V165-I170 HydrophobicContact CG1-CD1 4.4Å; V165-I170 HydrophobicContact CG1-CG1 3.68Å; V165-L188 HydrophobicContact CG1-CD1 4.49Å; V165-L188 HydrophobicContact CG1-CD2 4.2Å; V165-S230 PolarHBondContact N-OG 3.03Å; V165-L350 HydrophobicContact CB-CD2 4.05Å; V165-L350 HydrophobicContact CG1-CD2 4.45Å; V165-L350 HydrophobicContact CG2-CD2 3.66Å
166P95.5Very high91.5Very high71 Ų7153 Ų5346%0.46128%0.283SS..PPolyproline II helixtrans-61.3139.1176.7-24.634.2000112.6I168 L169 I170P166-I168 PolarHBondContact O-N 3.47Å; P166-L169 HydrophobicContact CG-CD1 4.31Å; P166-L169 PolarHBondContact O-N 3.38Å; P166-I170 PolarHBondContact O-N 2.84Å
167P94.6Very high89.4Confident30 Ų3056.8 Ų56.820%0.19530%0.295CS..Hα-helixtrans-50.9-35.1-178.6-32.738000115.8I170 L171 G233 L234 H237P167-I170 PolarHBondContact O-N 3.43Å; P167-L171 WeakPolarHBondContact O-CG 3.29Å; P167-L171 PolarHBondContact O-N 3.04Å; P167-G233 WeakPolarHBondContact CG-O 3.08Å; P167-L234 HydrophobicContact CB-CD1 3.96Å; P167-H237 HydrophobicContact CB-CB 3.72Å; P167-H237 HydrophobicContact CG-CB 3.89Å
168I92.2Very high87.2Confident104 Ų10464.5 Ų64.553%0.53333%0.331SS..Hα-helixtrans-64.2-49179.7-58.3174.1000110.5P166 I170 L171 D172P166-I168 PolarHBondContact O-N 3.47Å; I168-I170 PolarHBondContact O-N 3.02Å; I168-L171 WeakPolarHBondContact O-CB 3.35Å; I168-L171 PolarHBondContact O-N 3.31Å; I168-D172 PolarHBondContact O-N 2.84Å
169L92.4Very high84.8Confident83 Ų8371.3 Ų71.344%0.43536%0.363SS..Hα-helixtrans-65.3-27.7179.4-58.2-175.5000112.7V165 P166 A173 L188V165-L169 HydrophobicContact CG1-CB 4.15Å; P166-L169 HydrophobicContact CG-CD1 4.31Å; P166-L169 PolarHBondContact O-N 3.38Å; L169-A173 VanDerWaalsContact O-CB 3.29Å; L169-A173 WeakPolarHBondContact O-CB 3.43Å; L169-A173 PolarHBondContact O-N 2.79Å; L169-A173 VanDerWaalsContact O-N 3.12Å; L169-L188 HydrophobicContact CB-CD2 4.23Å
170I93.8Very high82.1Confident1 Ų173.8 Ų73.81%0.00537%0.372CS..Hα-helixtrans-69.4-43172.9-55.6170.1000110.3V165 P166 P167 I168 A173 I174 L234 A346 L350V165-I170 HydrophobicContact CB-CD1 4.21Å; V165-I170 HydrophobicContact CB-CG1 4Å; V165-I170 HydrophobicContact CG1-CD1 4.4Å; V165-I170 HydrophobicContact CG1-CG1 3.68Å; P166-I170 PolarHBondContact O-N 2.84Å; P167-I170 PolarHBondContact O-N 3.43Å; I168-I170 PolarHBondContact O-N 3.02Å; I170-A173 PolarHBondContact O-N 2.84Å; I170-I174 HydrophobicContact CG2-CD1 4.06Å; I170-I174 WeakPolarHBondContact O-CD1 3.34Å; I170-I174 VanDerWaalsContact O-CG1 3.25Å; I170-I174 WeakPolarHBondContact O-CG1 3.28Å; I170-I174 PolarHBondContact O-N 3.45Å; I170-I174 VanDerWaalsContact O-N 3.14Å; I170-L234 HydrophobicContact CD1-CB 4.43Å; I170-L234 HydrophobicContact CG2-CD2 4Å; I170-A346 HydrophobicContact CG2-CB 3.43Å; I170-A346 VanDerWaalsContact CG2-CB 3.43Å; I170-L350 HydrophobicContact CD1-CD1 4.15Å; I170-L350 HydrophobicContact CG1-CD1 4.48Å; I170-L350 HydrophobicContact CG1-CD2 4.43Å
171L91.6Very high79.6Confident38 Ų3875.6 Ų75.620%0.19939%0.388CS..Hα-helixtrans-66.3-45.4176.9-69.1169.4000111.4P167 I168 A173 I174 T175 L234 F238P167-L171 WeakPolarHBondContact O-CG 3.29Å; P167-L171 PolarHBondContact O-N 3.04Å; I168-L171 WeakPolarHBondContact O-CB 3.35Å; I168-L171 PolarHBondContact O-N 3.31Å; L171-A173 VanDerWaalsContact C-N 3.31Å; L171-A173 PolarHBondContact O-N 3.3Å; L171-I174 PolarHBondContact O-N 3.28Å; L171-T175 WeakPolarHBondContact O-CG2 3.24Å; L171-T175 PolarHBondContact O-N 3.44Å; L171-T175 PolarHBondContact O-OG1 3.44Å; L171-L234 HydrophobicContact CD1-CD1 4.21Å; L171-L234 HydrophobicContact CD2-CD1 4.05Å; L171-L234 HydrophobicContact CG-CD1 3.92Å; L171-F238 HydrophobicContact CD2-CE2 4.38Å; L171-F238 HydrophobicContact CD2-CZ 3.98Å
172D89.4Confident77.1Confident70 Ų7078.8 Ų78.837%0.37441%0.414SS..Hα-helixtrans-52.9-50.6174.7-60.5-29.7000110.2I168 I174 T175 V176I168-D172 PolarHBondContact O-N 2.84Å; D172-I174 VanDerWaalsContact C-N 3.25Å; D172-I174 PolarHBondContact O-N 2.89Å; D172-T175 PolarHBondContact O-N 3.26Å; D172-T175 PolarHBondContact O-OG1 3.33Å; D172-V176 PolarHBondContact O-N 3.29Å
173A87.8Confident74.7Confident9 Ų983.5 Ų83.57%0.07444%0.435CS..Hα-helixtrans-69.9-10.5179.200000115.6L169 I170 L171 V186 L188 K349L169-A173 VanDerWaalsContact O-CB 3.29Å; L169-A173 WeakPolarHBondContact O-CB 3.43Å; L169-A173 PolarHBondContact O-N 2.79Å; L169-A173 VanDerWaalsContact O-N 3.12Å; I170-A173 PolarHBondContact O-N 2.84Å; L171-A173 VanDerWaalsContact C-N 3.31Å; L171-A173 PolarHBondContact O-N 3.3Å; A173-V186 HydrophobicContact CB-CB 4.29Å; A173-V186 HydrophobicContact CB-CG1 4.15Å; A173-L188 HydrophobicContact CB-CD2 4.28Å; A173-K349 WeakPolarHBondContact O-CD 3.18Å; A173-K349 WeakPolarHBondContact O-CE 3.49Å
174I87.6Confident72.6Confident26 Ų2685.6 Ų85.613%0.13345%0.447CS..Hα-helixtrans-88.2-46.9168.2-67.6160.5000109.8I170 L171 D172 V176 D177 A346 K349I170-I174 HydrophobicContact CG2-CD1 4.06Å; I170-I174 WeakPolarHBondContact O-CD1 3.34Å; I170-I174 VanDerWaalsContact O-CG1 3.25Å; I170-I174 WeakPolarHBondContact O-CG1 3.28Å; I170-I174 PolarHBondContact O-N 3.45Å; I170-I174 VanDerWaalsContact O-N 3.14Å; L171-I174 PolarHBondContact O-N 3.28Å; D172-I174 VanDerWaalsContact C-N 3.25Å; D172-I174 PolarHBondContact O-N 2.89Å; I174-V176 VanDerWaalsContact C-N 3.3Å; I174-V176 PolarHBondContact O-N 2.74Å; I174-D177 PolarHBondContact O-N 3.47Å; I174-A346 HydrophobicContact CD1-CB 4.14Å; I174-K349 HydrophobicContact CG1-CG 4.34Å
175T73.8Confident70.7Confident79 Ų7992.1 Ų92.149%0.48547%0.474SS..Hα-helixtrans-65.3-26-172.352.80000115.1L171 D172 D177 E178L171-T175 WeakPolarHBondContact O-CG2 3.24Å; L171-T175 PolarHBondContact O-N 3.44Å; L171-T175 PolarHBondContact O-OG1 3.44Å; D172-T175 PolarHBondContact O-N 3.26Å; D172-T175 PolarHBondContact O-OG1 3.33Å; T175-D177 PolarHBondContact O-N 3.38Å; T175-E178 PolarHBondContact O-N 2.87Å; T175-E178 VanDerWaalsContact O-N 3.14Å
176V58.7Low69.2Low33 Ų3394.2 Ų94.220%0.249%0.487CS..THydrogen-bonded Turntrans-67.5-19.8-177.8171.30000113.4D172 I174 Q183 V186D172-V176 PolarHBondContact O-N 3.29Å; I174-V176 VanDerWaalsContact C-N 3.3Å; I174-V176 PolarHBondContact O-N 2.74Å; V176-Q183 HydrophobicContact CG1-CB 4.03Å; V176-V186 HydrophobicContact CB-CG2 4.5Å; V176-V186 HydrophobicContact CG2-CG2 3.9Å
177D52.1Low68.3Low114 Ų11496.2 Ų96.261%0.6150%0.498SS*.THydrogen-bonded Turntrans-73.2-25173-80.46.1000113.2I174 T175 K349I174-D177 PolarHBondContact O-N 3.47Å; T175-D177 PolarHBondContact O-N 3.38Å; D177-K349 IonicContact OD1-NZ 2.67Å; D177-K349 PolarHBondContact OD1-NZ 2.99Å; D177-K349 WeakPolarHBondContact OD2-CE 3.5Å; D177-K349 IonicContact OD2-NZ 3.67Å; D177-K349 PolarHBondContact OD2-NZ 3.21Å
178E50.9Low67.9Low173 Ų17395.7 Ų95.781%0.80849%0.493SS*.THydrogen-bonded Turntrans-92.2-25.1-175-63.2-165.3148.700113.2T175T175-E178 PolarHBondContact O-N 2.87Å; T175-E178 VanDerWaalsContact O-N 3.14Å
179E46.1Very low67.7Low143 Ų14399.3 Ų99.367%0.66851%0.508SS*.SBendtrans-128.5101.9-178.1-66.8-162.6160.600114.6Q183E179-Q183 PolarHBondContact O-NE2 3.46Å
180L41.5Very low67.7Low134 Ų13496.3 Ų96.370%0.70249%0.491SS*.  trans91120.4161.4-53.2161000117.9V182L180-V182 PolarHBondContact O-N 3.42Å
181E42.3Very low67.7Low207 Ų20796.9 Ų96.997%0.96749%0.494SS*.THydrogen-bonded Turntrans-62.513.1177.8-52.9176.5129.200116
182V43.6Very low67.9Low133 Ų13398.1 Ų98.181%0.80651%0.505SS*.THydrogen-bonded Turntrans-144.917.5-166.8-146.40000114.3L180L180-V182 PolarHBondContact O-N 3.42Å
183Q45.4Very low68.1Low107 Ų107100.2 Ų100.250%0.551%0.513SS..SBendtrans-88.9150.6170.3-62.6-161.860.800111.2V176 E179V176-Q183 HydrophobicContact CG1-CB 4.03Å; E179-Q183 PolarHBondContact O-NE2 3.46Å
184E52.3Low68.4Low185 Ų185103.3 Ų103.386%0.86454%0.538SS*.PPolyproline II helixtrans-68132.5174.1-66176.5136.500109.4V186E184-V186 PolarHBondContact O-N 2.69Å
185E56Low68.7Low177 Ų177102.6 Ų102.683%0.82754%0.535SS*.PPolyproline II helixtrans-59.2122.5-179.7-173.6177.2-179.100110.2T187E185-T187 PolarHBondContact O-N 3.46Å
186V65.6Low69.8Low61 Ų6199.6 Ų99.637%0.3752%0.516SS..  trans-74.388.4-172.2-1780000110.4A173 V176 E184 L188A173-V186 HydrophobicContact CB-CB 4.29Å; A173-V186 HydrophobicContact CB-CG1 4.15Å; V176-V186 HydrophobicContact CB-CG2 4.5Å; V176-V186 HydrophobicContact CG2-CG2 3.9Å; E184-V186 PolarHBondContact O-N 2.69Å; V186-L188 PolarHBondContact O-N 3.45Å
187T75.9Confident71.6Confident114 Ų114102.3 Ų102.370%0.69953%0.526SS*.  trans-69.3115.4177.750.40000111.2E185 E189E185-T187 PolarHBondContact O-N 3.46Å; T187-E189 PolarHBondContact O-N 3.25Å
188L87.4Confident73.7Confident19 Ų1999.2 Ų99.210%0.09951%0.51CS..  trans-79.999.6176.6-62.3176.2000110.5V165 L169 A173 V186 H190 L350V165-L188 HydrophobicContact CG1-CD1 4.49Å; V165-L188 HydrophobicContact CG1-CD2 4.2Å; L169-L188 HydrophobicContact CB-CD2 4.23Å; A173-L188 HydrophobicContact CB-CD2 4.28Å; V186-L188 PolarHBondContact O-N 3.45Å; L188-H190 PolarHBondContact O-CD2 2.98Å; L188-H190 VanDerWaalsContact O-CD2 3.28Å; L188-H190 PolarHBondContact O-N 3.48Å; L188-L350 HydrophobicContact CD1-CD2 3.79Å
189E87.7Confident75.9Confident180 Ų18091 Ų9184%0.84147%0.471SS*.  trans-64102.2175.5-70.5-174.7-175.900112T187T187-E189 PolarHBondContact O-N 3.25Å
190H92.5Very high78.2Confident19 Ų1986.3 Ų86.39%0.08845%0.45CS..  trans-83.3-25.5-178.1-76.5-60.4000115.4L188 R223 S353 L357L188-H190 PolarHBondContact O-CD2 2.98Å; L188-H190 VanDerWaalsContact O-CD2 3.28Å; L188-H190 PolarHBondContact O-N 3.48Å; H190-R223 PolarHBondContact ND1-NH2 3.24Å; H190-S353 PolarHBondContact CD2-OG 3.41Å; H190-S353 PolarHBondContact NE2-OG 2.91Å; H190-L357 HydrophobicContact CB-CD1 4.42Å; H190-L357 HydrophobicContact CB-CD2 3.65Å
191L94.2Very high80.8Confident13 Ų1382.8 Ų82.87%0.06844%0.436CS..SBendtrans-148.4146-175.6-67.1176.1000108.6L158 I199 L357 I361L158-L191 HydrophobicContact CD2-CD1 4.28Å; L191-I199 HydrophobicContact CD1-CD1 3.83Å; L191-L357 HydrophobicContact CD1-CD1 4.27Å; L191-L357 HydrophobicContact CD1-CD2 4.49Å; L191-I361 HydrophobicContact CD1-CD1 4.49Å
192P95.3Very high83.3Confident64 Ų6472.9 Ų72.942%0.41639%0.39SS..  trans-65.6138.1171.9-17.730.8000111.2Y161 A194 V195 L196Y161-P192 HydrophobicContact CD1-CG 4.06Å; P192-A194 PolarHBondContact O-N 3.2Å; P192-A194 VanDerWaalsContact O-N 3.15Å; P192-V195 HydrophobicContact CB-CG2 4.27Å; P192-V195 HydrophobicContact CG-CG2 4.29Å; P192-V195 WeakPolarHBondContact O-CA 3.38Å; P192-V195 WeakPolarHBondContact O-CB 3.22Å; P192-V195 PolarHBondContact O-N 3.34Å; P192-L196 PolarHBondContact O-N 3.16Å
193E93.3Very high85.8Confident115 Ų11566.8 Ų66.854%0.53735%0.353SS..Hα-helixtrans-44.2-50.9-175.9-178.855-148.300114.6V195 L196 Q197E193-V195 PolarHBondContact O-N 2.99Å; E193-L196 WeakPolarHBondContact O-CB 3.3Å; E193-L196 PolarHBondContact O-N 3.32Å; E193-L196 VanDerWaalsContact O-N 3.08Å; E193-Q197 WeakPolarHBondContact O-CG 3.09Å; E193-Q197 PolarHBondContact O-N 3.46Å; E193-Q197 WeakPolarHBondContact OE1-CG 3.42Å; E193-Q197 PolarHBondContact OE1-NE2 2.91Å
194A93.4Very high88.1Confident73 Ų7363.6 Ų63.660%0.60335%0.349SS*.Hα-helixtrans-61.3-32.3179.500000113.5P192 D198P192-A194 PolarHBondContact O-N 3.2Å; P192-A194 VanDerWaalsContact O-N 3.15Å; A194-D198 PolarHBondContact O-N 3.04Å; A194-D198 VanDerWaalsContact O-N 3.15Å
195V95.9Very high90.1Very high12 Ų1256 Ų567%0.07331%0.312CS..Hα-helixtrans-77.1-34.1176.5177.30000110.9L157 Y161 P192 E193 I199L157-V195 HydrophobicContact CB-CG1 4.13Å; L157-V195 HydrophobicContact CD2-CG1 4.35Å; Y161-V195 HydrophobicContact CD1-CG2 4.33Å; Y161-V195 HydrophobicContact CD2-CB 4.28Å; Y161-V195 HydrophobicContact CD2-CG1 3.52Å; Y161-V195 HydrophobicContact CD2-CG2 3.78Å; Y161-V195 HydrophobicContact CE1-CG2 4.25Å; Y161-V195 HydrophobicContact CE2-CG1 4.11Å; Y161-V195 HydrophobicContact CE2-CG2 3.66Å; Y161-V195 HydrophobicContact CG-CG1 3.98Å; Y161-V195 HydrophobicContact CG-CG2 4.1Å; P192-V195 HydrophobicContact CB-CG2 4.27Å; P192-V195 HydrophobicContact CG-CG2 4.29Å; P192-V195 WeakPolarHBondContact O-CA 3.38Å; P192-V195 WeakPolarHBondContact O-CB 3.22Å; P192-V195 PolarHBondContact O-N 3.34Å; E193-V195 PolarHBondContact O-N 2.99Å; V195-I199 HydrophobicContact CG1-CD1 3.82Å; V195-I199 WeakPolarHBondContact O-CB 3.42Å; V195-I199 WeakPolarHBondContact O-CD1 3.46Å; V195-I199 WeakPolarHBondContact O-CG1 3.35Å; V195-I199 PolarHBondContact O-N 3.12Å
196L96Very high91.9Very high15 Ų1547.7 Ų47.78%0.07927%0.273CS..Hα-helixtrans-63.4-47.3173.4175.657.8000110.5P192 E193 I199 I200 L357 I361P192-L196 PolarHBondContact O-N 3.16Å; E193-L196 WeakPolarHBondContact O-CB 3.3Å; E193-L196 PolarHBondContact O-N 3.32Å; E193-L196 VanDerWaalsContact O-N 3.08Å; L196-I199 PolarHBondContact O-N 3.06Å; L196-I199 VanDerWaalsContact O-N 3.15Å; L196-I200 HydrophobicContact CD1-CD1 3.85Å; L196-I200 HydrophobicContact CD1-CG1 4.18Å; L196-I200 HydrophobicContact CG-CD1 3.86Å; L196-I200 VanDerWaalsContact O-CG1 3.3Å; L196-I200 WeakPolarHBondContact O-CG1 3.25Å; L196-I200 PolarHBondContact O-N 2.86Å; L196-L357 HydrophobicContact CD1-CD1 3.82Å; L196-I361 HydrophobicContact CD1-CD1 3.82Å; L196-I361 HydrophobicContact CD1-CG1 3.96Å
197Q95.9Very high93.1Very high90 Ų9048 Ų4842%0.42128%0.275SS..Hα-helixtrans-61.1-45.4175.3-62.9-59.2-2900112.4E193 I199 I200 C201E193-Q197 WeakPolarHBondContact O-CG 3.09Å; E193-Q197 PolarHBondContact O-N 3.46Å; E193-Q197 WeakPolarHBondContact OE1-CG 3.42Å; E193-Q197 PolarHBondContact OE1-NE2 2.91Å; Q197-I199 VanDerWaalsContact C-N 3.28Å; Q197-I199 PolarHBondContact O-N 3.06Å; Q197-I200 PolarHBondContact O-N 3.37Å; Q197-C201 WeakPolarHBondContact O-CB 3.29Å; Q197-C201 PolarHBondContact O-N 3.42Å; Q197-C201 PolarHBondContact O-SG 2.95Å
198D96.1Very high93.7Very high50 Ų5049 Ų4927%0.26727%0.272SS..Hα-helixtrans-54.3-44.9172.4-83.2-24.9000111.5L109 L157 A194 C201 I202L109-D198 HydrophobicContact CD2-CB 4.11Å; L109-D198 WeakPolarHBondContact CD2-O 3.15Å; L157-D198 HydrophobicContact CD1-CB 3.79Å; A194-D198 PolarHBondContact O-N 3.04Å; A194-D198 VanDerWaalsContact O-N 3.15Å; D198-C201 PolarHBondContact O-N 3.26Å; D198-I202 WeakPolarHBondContact O-CD1 3.39Å; D198-I202 WeakPolarHBondContact O-CG1 3.47Å; D198-I202 PolarHBondContact O-N 3.07Å
199I96.8Very high93.6Very high0 Ų051.1 Ų51.10%028%0.279CS..Hα-helixtrans-67.9-38.5-179.2-75.5167.6000112.2F154 L157 L158 L191 V195 L196 Q197 I202 S203 I361F154-I199 HydrophobicContact CD2-CG2 4.16Å; F154-I199 HydrophobicContact CE2-CG2 3.69Å; L157-I199 HydrophobicContact CB-CD1 3.9Å; L157-I199 HydrophobicContact CB-CG1 3.95Å; L157-I199 HydrophobicContact CD1-CG1 3.96Å; L158-I199 HydrophobicContact CD2-CD1 3.83Å; L158-I199 HydrophobicContact CG-CD1 3.96Å; L191-I199 HydrophobicContact CD1-CD1 3.83Å; V195-I199 HydrophobicContact CG1-CD1 3.82Å; V195-I199 WeakPolarHBondContact O-CB 3.42Å; V195-I199 WeakPolarHBondContact O-CD1 3.46Å; V195-I199 WeakPolarHBondContact O-CG1 3.35Å; V195-I199 PolarHBondContact O-N 3.12Å; L196-I199 PolarHBondContact O-N 3.06Å; L196-I199 VanDerWaalsContact O-N 3.15Å; Q197-I199 VanDerWaalsContact C-N 3.28Å; Q197-I199 PolarHBondContact O-N 3.06Å; I199-I202 PolarHBondContact O-N 2.8Å; I199-S203 WeakPolarHBondContact O-CB 3.45Å; I199-S203 PolarHBondContact O-N 3.43Å; I199-S203 PolarHBondContact O-OG 3.03Å; I199-I361 HydrophobicContact CG2-CD1 3.82Å; I199-I361 HydrophobicContact CG2-CG1 3.97Å; I199-I361 HydrophobicContact CG2-CG2 3.77Å
200I96Very high93.2Very high44 Ų4443.9 Ų43.923%0.22625%0.253CS..Hα-helixtrans-67.3-44175.8-68164.9000110.5L196 Q197 I202 S203 G204 E360 I361L196-I200 HydrophobicContact CD1-CD1 3.85Å; L196-I200 HydrophobicContact CD1-CG1 4.18Å; L196-I200 HydrophobicContact CG-CD1 3.86Å; L196-I200 VanDerWaalsContact O-CG1 3.3Å; L196-I200 WeakPolarHBondContact O-CG1 3.25Å; L196-I200 PolarHBondContact O-N 2.86Å; Q197-I200 PolarHBondContact O-N 3.37Å; I200-I202 VanDerWaalsContact C-N 3.35Å; I200-I202 PolarHBondContact O-N 3.47Å; I200-S203 PolarHBondContact O-N 3.31Å; I200-S203 PolarHBondContact O-OG 2.85Å; I200-G204 PolarHBondContact O-N 2.99Å; I200-E360 HydrophobicContact CD1-CB 4.06Å; I200-I361 HydrophobicContact CG1-CG1 4.06Å
201C95.6Very high92.2Very high60 Ų6052 Ų5241%0.40528%0.283SS..Hα-helixtrans-62.1-41.2175.5-73.90000112L109 L113 Q197 D198 W205L109-C201 HydrophobicContact CD2-CB 3.7Å; L113-C201 HydrophobicContact CD1-CB 4.49Å; Q197-C201 WeakPolarHBondContact O-CB 3.29Å; Q197-C201 PolarHBondContact O-N 3.42Å; Q197-C201 PolarHBondContact O-SG 2.95Å; D198-C201 PolarHBondContact O-N 3.26Å; C201-W205 WeakPolarHBondContact O-CB 3.32Å; C201-W205 PolarHBondContact O-N 2.64Å
202I95.4Very high91.2Very high0 Ų054.1 Ų54.10%029%0.294CS..Hα-helixtrans-69.7-41.1175.5-61.8161.4000111.5L109 L150 E153 F154 L157 D198 I199 I200 W205 L206L109-I202 HydrophobicContact CD1-CD1 4.07Å; L109-I202 HydrophobicContact CD1-CG1 3.61Å; L109-I202 HydrophobicContact CD2-CD1 4.23Å; L109-I202 HydrophobicContact CD2-CG1 3.81Å; L109-I202 HydrophobicContact CG-CG1 4.39Å; L150-I202 HydrophobicContact CB-CG2 4.18Å; L150-I202 HydrophobicContact CD2-CG1 4.29Å; E153-I202 HydrophobicContact CB-CD1 4.35Å; E153-I202 HydrophobicContact CG-CD1 4.09Å; F154-I202 HydrophobicContact CB-CG2 3.83Å; F154-I202 HydrophobicContact CD2-CB 4.33Å; F154-I202 HydrophobicContact CD2-CG2 4.1Å; F154-I202 HydrophobicContact CG-CG2 4.39Å; L157-I202 HydrophobicContact CD1-CD1 4.02Å; D198-I202 WeakPolarHBondContact O-CD1 3.39Å; D198-I202 WeakPolarHBondContact O-CG1 3.47Å; D198-I202 PolarHBondContact O-N 3.07Å; I199-I202 PolarHBondContact O-N 2.8Å; I200-I202 VanDerWaalsContact C-N 3.35Å; I200-I202 PolarHBondContact O-N 3.47Å; I202-W205 PolarHBondContact O-N 2.84Å; I202-L206 HydrophobicContact CG2-CD1 3.66Å; I202-L206 HydrophobicContact CG2-CG 4.08Å; I202-L206 WeakPolarHBondContact O-CB 3.32Å; I202-L206 VanDerWaalsContact O-CG 3.29Å; I202-L206 WeakPolarHBondContact O-CG 3.45Å; I202-L206 PolarHBondContact O-N 2.92Å
203S94.8Very high90.6Very high5 Ų555.9 Ų55.94%0.03530%0.297CS..Hα-helixtrans-66.9-43-179.674.30000111.9I199 I200 W205 L206 V207 I361I199-S203 WeakPolarHBondContact O-CB 3.45Å; I199-S203 PolarHBondContact O-N 3.43Å; I199-S203 PolarHBondContact O-OG 3.03Å; I200-S203 PolarHBondContact O-N 3.31Å; I200-S203 PolarHBondContact O-OG 2.85Å; S203-W205 PolarHBondContact O-N 3.28Å; S203-L206 PolarHBondContact O-N 2.95Å; S203-V207 WeakPolarHBondContact O-CG2 3.44Å; S203-V207 PolarHBondContact O-N 3.48Å; S203-I361 VanDerWaalsContact CB-O 3.27Å; S203-I361 WeakPolarHBondContact CB-O 3.4Å; S203-I361 PolarHBondContact OG-O 2.61Å
204G93.6Very high90.3Very high39 Ų3954.2 Ų54.240%0.40229%0.292SS..Hα-helixtrans-56.6-47.9172.900000112I200 L206 V207 E208I200-G204 PolarHBondContact O-N 2.99Å; G204-L206 PolarHBondContact O-N 3.04Å; G204-V207 PolarHBondContact O-N 3.12Å; G204-V207 VanDerWaalsContact O-N 3.16Å; G204-E208 PolarHBondContact O-N 2.7Å
205W94.5Very high90.3Very high26 Ų2651.2 Ų51.210%0.09827%0.265CS..Hα-helixtrans-62.9-41.8177.1-167.688.1000112.6L113 I116 F143 K147 L150 C201 I202 S203 V207 E208 Y209L113-W205 HydrophobicContact CD2-CB 4.3Å; L113-W205 HydrophobicContact CD2-CD2 4.4Å; L113-W205 HydrophobicContact CD2-CG 3.9Å; I116-W205 HydrophobicContact CG2-CH2 4.13Å; I116-W205 HydrophobicContact CG2-CZ2 3.41Å; I116-W205 VanDerWaalsContact CG2-CZ2 3.41Å; F143-W205 HydrophobicContact CE1-CH2 4.27Å; F143-W205 HydrophobicContact CE2-CH2 4.21Å; F143-W205 AromaticContact CE2-CZ2 3.81Å; F143-W205 HydrophobicContact CE2-CZ2 3.81Å; F143-W205 AromaticContact CZ-CH2 3.75Å; F143-W205 HydrophobicContact CZ-CH2 3.75Å; F143-W205 AromaticContact CZ-CZ2 3.62Å; F143-W205 HydrophobicContact CZ-CZ2 3.62Å; K147-W205 HydrophobicContact CB-CH2 4.04Å; K147-W205 HydrophobicContact CB-CZ3 3.97Å; K147-W205 HydrophobicContact CG-CZ3 4.09Å; L150-W205 HydrophobicContact CD1-CD2 3.75Å; L150-W205 HydrophobicContact CD1-CE3 3.35Å; L150-W205 HydrophobicContact CD1-CG 4.48Å; L150-W205 HydrophobicContact CD1-CH2 4.21Å; L150-W205 HydrophobicContact CD1-CZ3 3.61Å; C201-W205 WeakPolarHBondContact O-CB 3.32Å; C201-W205 PolarHBondContact O-N 2.64Å; I202-W205 PolarHBondContact O-N 2.84Å; S203-W205 PolarHBondContact O-N 3.28Å; W205-V207 PolarHBondContact O-N 3.14Å; W205-E208 PolarHBondContact O-N 3.19Å; W205-Y209 AromaticContact CD1-CD2 3.67Å; W205-Y209 AromaticContact CD2-CD2 3.94Å; W205-Y209 HydrophobicContact CD2-CD2 3.94Å; W205-Y209 HydrophobicContact CD2-CG 4.42Å; W205-Y209 AromaticContact CE2-CD2 3.45Å; W205-Y209 VanDerWaalsContact CE2-CD2 3.45Å; W205-Y209 AromaticContact CE2-CG 3.81Å; W205-Y209 HydrophobicContact CG-CD2 4.05Å; W205-Y209 HydrophobicContact CH2-CG 4.28Å; W205-Y209 VanDerWaalsContact CZ2-CB 3.5Å; W205-Y209 AromaticContact CZ2-CD2 3.87Å; W205-Y209 HydrophobicContact CZ2-CD2 3.87Å; W205-Y209 AromaticContact CZ2-CG 3.72Å; W205-Y209 HydrophobicContact CZ2-CG 3.72Å; W205-Y209 AromaticContact NE1-CD2 3.29Å; W205-Y209 VanDerWaalsContact NE1-CD2 3.29Å; W205-Y209 AromaticContact NE1-CE2 3.77Å; W205-Y209 WeakPolarHBondContact O-CB 3.44Å; W205-Y209 PolarHBondContact O-N 2.86Å
206L93.2Very high90.2Very high3 Ų351 Ų512%0.01626%0.263CS..Hα-helixtrans-71-13176.8-70.5175.2000113.9K147 L150 E151 I202 S203 G204 G210 F215K147-L206 HydrophobicContact CG-CD2 4.27Å; L150-L206 HydrophobicContact CB-CD2 4.49Å; E151-L206 HydrophobicContact CG-CD1 4.02Å; E151-L206 HydrophobicContact CG-CD2 3.67Å; I202-L206 HydrophobicContact CG2-CD1 3.66Å; I202-L206 HydrophobicContact CG2-CG 4.08Å; I202-L206 WeakPolarHBondContact O-CB 3.32Å; I202-L206 VanDerWaalsContact O-CG 3.29Å; I202-L206 WeakPolarHBondContact O-CG 3.45Å; I202-L206 PolarHBondContact O-N 2.92Å; S203-L206 PolarHBondContact O-N 2.95Å; G204-L206 PolarHBondContact O-N 3.04Å; L206-G210 WeakPolarHBondContact O-CA 3.42Å; L206-G210 PolarHBondContact O-N 3.37Å; L206-G210 VanDerWaalsContact O-N 3.13Å; L206-F215 HydrophobicContact CB-CD1 3.78Å; L206-F215 HydrophobicContact CB-CE1 3.97Å; L206-F215 HydrophobicContact CB-CG 4.32Å; L206-F215 HydrophobicContact CD1-CB 3.94Å; L206-F215 HydrophobicContact CD1-CD1 4.31Å; L206-F215 HydrophobicContact CD1-CG 4.09Å
207V91.8Very high90.1Very high67 Ų6753.3 Ų53.341%0.40628%0.275SS..Hα-helixtrans-84.7-37.4172.7169.20000111.3S203 G204 W205 F215 M216 P363S203-V207 WeakPolarHBondContact O-CG2 3.44Å; S203-V207 PolarHBondContact O-N 3.48Å; G204-V207 PolarHBondContact O-N 3.12Å; G204-V207 VanDerWaalsContact O-N 3.16Å; W205-V207 PolarHBondContact O-N 3.14Å; V207-F215 HydrophobicContact CG2-CE1 3.85Å; V207-F215 HydrophobicContact CG2-CZ 3.54Å; V207-M216 HydrophobicContact CG2-CE 4.27Å; V207-P363 HydrophobicContact CB-CG 4.28Å; V207-P363 HydrophobicContact CG1-CG 3.92Å; V207-P363 HydrophobicContact CG2-CG 3.41Å; V207-P363 VanDerWaalsContact CG2-CG 3.41Å
208E88.4Confident90.1Very high136 Ų13650.2 Ų50.264%0.63626%0.263SS*.Hα-helixtrans-79.2-39.5178.4-166.4-178.5163.900112.1G204 W205G204-E208 PolarHBondContact O-N 2.7Å; W205-E208 PolarHBondContact O-N 3.19Å
209Y86.5Confident90.2Very high63 Ų6347.9 Ų47.925%0.24725%0.25CS..SBendtrans-114.26.3-173.4-60.1-71.2000114.4Q120 F143 W205Q120-Y209 HydrophobicContact CG-CE1 4.43Å; Q120-Y209 PolarHBondContact NE2-OH 3.36Å; Q120-Y209 VanDerWaalsContact NE2-OH 3.1Å; Q120-Y209 VanDerWaalsContact OE1-CZ 3.23Å; F143-Y209 HydrophobicContact CZ-CD1 4.03Å; F143-Y209 HydrophobicContact CZ-CG 4.23Å; W205-Y209 AromaticContact CD1-CD2 3.67Å; W205-Y209 AromaticContact CD2-CD2 3.94Å; W205-Y209 HydrophobicContact CD2-CD2 3.94Å; W205-Y209 HydrophobicContact CD2-CG 4.42Å; W205-Y209 AromaticContact CE2-CD2 3.45Å; W205-Y209 VanDerWaalsContact CE2-CD2 3.45Å; W205-Y209 AromaticContact CE2-CG 3.81Å; W205-Y209 HydrophobicContact CG-CD2 4.05Å; W205-Y209 HydrophobicContact CH2-CG 4.28Å; W205-Y209 VanDerWaalsContact CZ2-CB 3.5Å; W205-Y209 AromaticContact CZ2-CD2 3.87Å; W205-Y209 HydrophobicContact CZ2-CD2 3.87Å; W205-Y209 AromaticContact CZ2-CG 3.72Å; W205-Y209 HydrophobicContact CZ2-CG 3.72Å; W205-Y209 AromaticContact NE1-CD2 3.29Å; W205-Y209 VanDerWaalsContact NE1-CD2 3.29Å; W205-Y209 AromaticContact NE1-CE2 3.77Å; W205-Y209 WeakPolarHBondContact O-CB 3.44Å; W205-Y209 PolarHBondContact O-N 2.86Å
210G77.7Confident90.2Very high28 Ų2849.7 Ų49.729%0.28926%0.258SS..  trans-71.7136.6173.600000113L206 N212L206-G210 WeakPolarHBondContact O-CA 3.42Å; L206-G210 PolarHBondContact O-N 3.37Å; L206-G210 VanDerWaalsContact O-N 3.13Å; G210-N212 VanDerWaalsContact C-N 3.3Å
211R71.6Confident90.3Very high190 Ų19052.5 Ų52.572%0.71727%0.27SS*.SBendtrans-81.2-16.3165.7-64.7-176178.7-145.70.4112.4E144E144-R211 VanDerWaalsContact CD-NE 3.25Å; E144-R211 IonicContact OE1-CZ 3.54Å; E144-R211 IonicContact OE1-NE 2.71Å; E144-R211 PolarHBondContact OE1-NE 3.16Å; E144-R211 IonicContact OE1-NH2 2.67Å; E144-R211 PolarHBondContact OE1-NH2 3.05Å; E144-R211 IonicContact OE2-CZ 3.15Å; E144-R211 IonicContact OE2-NE 2.71Å; E144-R211 PolarHBondContact OE2-NE 2.86Å; E144-R211 VanDerWaalsContact OE2-NE 3.11Å; E144-R211 IonicContact OE2-NH2 3.9Å
212N74.4Confident90.4Very high56 Ų5650.5 Ų50.530%0.29926%0.255SS..SBendtrans-159.2141.4-162.655.9-49000109K147 G210 D214K147-N212 PolarHBondContact NZ-OD1 2.78Å; K147-N212 VanDerWaalsContact NZ-OD1 3.1Å; G210-N212 VanDerWaalsContact C-N 3.3Å; N212-D214 WeakPolarHBondContact CB-OD2 3.23Å; N212-D214 PolarHBondContact ND2-OD2 2.9Å; N212-D214 PolarHBondContact O-N 3.13Å
213Q81.4Confident90.5Very high102 Ų10250.5 Ų50.548%0.47726%0.256SS..  trans-8922.2-175.4-62.8-179.7-32.100112.8F215 M216 H366Q213-F215 PolarHBondContact O-N 3.14Å; Q213-M216 HydrophobicContact CB-CE 4.16Å; Q213-M216 HydrophobicContact CB-SD 4.18Å; Q213-M216 HydrophobicContact CG-CE 4.16Å; Q213-M216 VanDerWaalsContact O-CB 3.31Å; Q213-M216 WeakPolarHBondContact O-CB 3.3Å; Q213-M216 WeakPolarHBondContact O-CG 3.1Å; Q213-M216 PolarHBondContact O-N 3.27Å; Q213-H366 VanDerWaalsContact CD-CE1 3.42Å; Q213-H366 PolarHBondContact NE2-CE1 3.21Å; Q213-H366 PolarHBondContact NE2-NE2 2.91Å; Q213-H366 PolarHBondContact OE1-CE1 3.05Å; Q213-H366 PolarHBondContact OE1-ND1 3.45Å
214D87.4Confident90.7Very high80 Ų8050.7 Ų50.743%0.42826%0.257SS..Hα-helixtrans-68.3-18-171.3-71.4-55000114.3N212 M216 N217 V218N212-D214 WeakPolarHBondContact CB-OD2 3.23Å; N212-D214 PolarHBondContact ND2-OD2 2.9Å; N212-D214 PolarHBondContact O-N 3.13Å; D214-M216 PolarHBondContact O-N 3.26Å; D214-N217 WeakPolarHBondContact O-CA 3.4Å; D214-N217 WeakPolarHBondContact O-CB 3.27Å; D214-N217 PolarHBondContact O-N 3.37Å; D214-N217 PolarHBondContact OD1-ND2 3.21Å; D214-V218 PolarHBondContact O-N 3.41Å
215F92.6Very high90.9Very high10 Ų1051.9 Ų51.94%0.04425%0.254CS..Hα-helixtrans-60.3-32.2169.582.5-95.2000111.4F154 L206 V207 Q213 N217 V218 Y219 I362F154-F215 HydrophobicContact CD1-CB 4.09Å; F154-F215 HydrophobicContact CE1-CB 4.02Å; F154-F215 AromaticContact CE1-CD2 3.86Å; F154-F215 HydrophobicContact CE1-CD2 3.86Å; F154-F215 HydrophobicContact CE1-CG 4.46Å; F154-F215 WeakPolarHBondContact CE1-O 3.35Å; F154-F215 HydrophobicContact CE2-CD2 4.08Å; F154-F215 AromaticContact CZ-CD2 3.6Å; F154-F215 HydrophobicContact CZ-CD2 3.6Å; F154-F215 HydrophobicContact CZ-CE2 4.32Å; L206-F215 HydrophobicContact CB-CD1 3.78Å; L206-F215 HydrophobicContact CB-CE1 3.97Å; L206-F215 HydrophobicContact CB-CG 4.32Å; L206-F215 HydrophobicContact CD1-CB 3.94Å; L206-F215 HydrophobicContact CD1-CD1 4.31Å; L206-F215 HydrophobicContact CD1-CG 4.09Å; V207-F215 HydrophobicContact CG2-CE1 3.85Å; V207-F215 HydrophobicContact CG2-CZ 3.54Å; Q213-F215 PolarHBondContact O-N 3.14Å; F215-N217 VanDerWaalsContact C-N 3.33Å; F215-V218 PolarHBondContact O-N 3.24Å; F215-Y219 PolarHBondContact O-N 3.11Å; F215-I362 HydrophobicContact CE2-CD1 4.22Å
216M94.6Very high91.1Very high6 Ų651.4 Ų51.43%0.0325%0.253CS..Hα-helixtrans-68.1-35.3174.5-52.2-176.1-169.800111.4V207 Q213 D214 Y219 F220 I362 P363 H366V207-M216 HydrophobicContact CG2-CE 4.27Å; Q213-M216 HydrophobicContact CB-CE 4.16Å; Q213-M216 HydrophobicContact CB-SD 4.18Å; Q213-M216 HydrophobicContact CG-CE 4.16Å; Q213-M216 VanDerWaalsContact O-CB 3.31Å; Q213-M216 WeakPolarHBondContact O-CB 3.3Å; Q213-M216 WeakPolarHBondContact O-CG 3.1Å; Q213-M216 PolarHBondContact O-N 3.27Å; D214-M216 PolarHBondContact O-N 3.26Å; M216-Y219 PolarHBondContact O-N 2.84Å; M216-F220 VanDerWaalsContact O-CD1 3.26Å; M216-F220 WeakPolarHBondContact O-CD1 3.39Å; M216-F220 PolarHBondContact O-N 3.41Å; M216-F220 VanDerWaalsContact O-N 3.07Å; M216-I362 HydrophobicContact CB-CD1 4.38Å; M216-I362 HydrophobicContact CG-CD1 4.13Å; M216-I362 HydrophobicContact SD-CG2 4.26Å; M216-P363 HydrophobicContact CE-CG 4.21Å; M216-H366 HydrophobicContact CE-CB 4.2Å; M216-H366 HydrophobicContact SD-CB 3.6Å; M216-H366 VanDerWaalsContact SD-CB 3.6Å
217N94.6Very high91.3Very high64 Ų6451.3 Ų51.334%0.34225%0.252SS..Hα-helixtrans-65.3-42.6173.1-63.2-33000110.7D214 F215 F220 Q221D214-N217 WeakPolarHBondContact O-CA 3.4Å; D214-N217 WeakPolarHBondContact O-CB 3.27Å; D214-N217 PolarHBondContact O-N 3.37Å; D214-N217 PolarHBondContact OD1-ND2 3.21Å; F215-N217 VanDerWaalsContact C-N 3.33Å; N217-F220 HydrophobicContact CB-CE1 4.21Å; N217-F220 WeakPolarHBondContact OD1-CE1 3.08Å; N217-Q221 WeakPolarHBondContact O-CB 3.4Å; N217-Q221 WeakPolarHBondContact O-CG 3.28Å; N217-Q221 PolarHBondContact O-N 3.38Å
218V95.9Very high91.6Very high26 Ų2648.5 Ų48.516%0.15824%0.235CC..Hα-helixtrans-63.4-41173.9173.60000111.7R155 D214 F215 I222R155-V218 HydrophobicContact CB-CG1 3.9Å; R155-V218 HydrophobicContact CG-CG1 3.76Å; D214-V218 PolarHBondContact O-N 3.41Å; F215-V218 PolarHBondContact O-N 3.24Å; V218-I222 HydrophobicContact CG1-CD1 3.72Å; V218-I222 WeakPolarHBondContact O-CG1 3.15Å; V218-I222 PolarHBondContact O-N 3.21Å
219Y97.8Very high92.1Very high0 Ų048 Ų480%023%0.227CC..Hα-helixtrans-58.2-59.9176.8178.2-94.5000111.4F154 L158 F215 M216 Q221 I222 R223 L358 I361 I362 T370 L374F154-Y219 HydrophobicContact CZ-CD2 4.31Å; L158-Y219 HydrophobicContact CD1-CD2 3.89Å; L158-Y219 HydrophobicContact CD2-CD2 3.96Å; L158-Y219 HydrophobicContact CD2-CE2 4.12Å; F215-Y219 PolarHBondContact O-N 3.11Å; M216-Y219 PolarHBondContact O-N 2.84Å; Y219-Q221 VanDerWaalsContact C-N 3.28Å; Y219-Q221 PolarHBondContact O-N 3.45Å; Y219-I222 PolarHBondContact O-N 3.49Å; Y219-R223 HydrophobicContact CD1-CG 4.3Å; Y219-R223 HydrophobicContact CD2-CG 4.27Å; Y219-R223 HydrophobicContact CE1-CG 3.89Å; Y219-R223 HydrophobicContact CE2-CG 3.85Å; Y219-R223 HydrophobicContact CG-CG 4.47Å; Y219-R223 WeakPolarHBondContact O-CG 3.18Å; Y219-R223 PolarHBondContact O-N 2.64Å; Y219-L358 HydrophobicContact CE1-CB 4.08Å; Y219-L358 HydrophobicContact CE1-CD1 4.12Å; Y219-L358 HydrophobicContact CE1-CG 4.28Å; Y219-L358 PolarHBondContact OH-N 2.81Å; Y219-I361 HydrophobicContact CD2-CG2 4.13Å; Y219-I361 HydrophobicContact CE2-CB 4.37Å; Y219-I361 HydrophobicContact CE2-CD1 3.63Å; Y219-I361 HydrophobicContact CE2-CG2 4.13Å; Y219-I362 HydrophobicContact CD1-CD1 4.03Å; Y219-I362 HydrophobicContact CD1-CG1 4.14Å; Y219-I362 HydrophobicContact CE1-CG1 4.27Å; Y219-I362 HydrophobicContact CG-CD1 4.09Å; Y219-T370 HydrophobicContact CD1-CG2 4.09Å; Y219-L374 HydrophobicContact CE1-CD1 3.9Å
220F96.6Very high92.6Very high39 Ų3945.1 Ų45.117%0.17122%0.216CC..Hα-helixtrans-65.9-31.3-174.579.7-115.7000112.5M216 N217 S224 T370 L374M216-F220 VanDerWaalsContact O-CD1 3.26Å; M216-F220 WeakPolarHBondContact O-CD1 3.39Å; M216-F220 PolarHBondContact O-N 3.41Å; M216-F220 VanDerWaalsContact O-N 3.07Å; N217-F220 HydrophobicContact CB-CE1 4.21Å; N217-F220 WeakPolarHBondContact OD1-CE1 3.08Å; F220-S224 WeakPolarHBondContact O-CB 3.5Å; F220-S224 PolarHBondContact O-N 2.71Å; F220-T370 HydrophobicContact CB-CG2 4.01Å; F220-T370 HydrophobicContact CD1-CG2 4.27Å; F220-L374 HydrophobicContact CB-CB 3.91Å; F220-L374 HydrophobicContact CB-CG 4.38Å
221Q97.8Very high93.6Very high103 Ų10344.2 Ų44.248%0.48121%0.205SC..Hα-helixtrans-63.5-43.6174.9-75.2170.410.200112.6N217 Y219 N225N217-Q221 WeakPolarHBondContact O-CB 3.4Å; N217-Q221 WeakPolarHBondContact O-CG 3.28Å; N217-Q221 PolarHBondContact O-N 3.38Å; Y219-Q221 VanDerWaalsContact C-N 3.28Å; Y219-Q221 PolarHBondContact O-N 3.45Å; Q221-N225 PolarHBondContact O-N 3.08Å
222I97.9Very high94.7Very high17 Ų1739.7 Ų39.79%0.08719%0.19CC..Hα-helixtrans-70.1-42179.9-66.5167.3000110.6R155 L158 T159 V218 Y219 Q226R155-I222 HydrophobicContact CG-CD1 4.44Å; L158-I222 HydrophobicContact CB-CD1 3.71Å; L158-I222 HydrophobicContact CB-CG2 4.22Å; L158-I222 HydrophobicContact CD1-CD1 4.44Å; T159-I222 WeakPolarHBondContact OG1-CD1 3.48Å; V218-I222 HydrophobicContact CG1-CD1 3.72Å; V218-I222 WeakPolarHBondContact O-CG1 3.15Å; V218-I222 PolarHBondContact O-N 3.21Å; Y219-I222 PolarHBondContact O-N 3.49Å; I222-Q226 WeakPolarHBondContact O-CG 3.48Å; I222-Q226 PolarHBondContact O-N 3.16Å; I222-Q226 PolarHBondContact O-NE2 2.98Å
223R98.1Very high95.8Very high1 Ų138.3 Ų38.30%0.00419%0.189CC..Hα-helixtrans-69.9-46.7179.3-63.6-48.2-54.6-175.72.8113S162 H190 Y219 N225 Q226 L227 E354 L374S162-R223 PolarHBondContact OG-NH1 2.86Å; S162-R223 VanDerWaalsContact OG-NH1 3.16Å; H190-R223 PolarHBondContact ND1-NH2 3.24Å; Y219-R223 HydrophobicContact CD1-CG 4.3Å; Y219-R223 HydrophobicContact CD2-CG 4.27Å; Y219-R223 HydrophobicContact CE1-CG 3.89Å; Y219-R223 HydrophobicContact CE2-CG 3.85Å; Y219-R223 HydrophobicContact CG-CG 4.47Å; Y219-R223 WeakPolarHBondContact O-CG 3.18Å; Y219-R223 PolarHBondContact O-N 2.64Å; R223-N225 PolarHBondContact O-N 3.1Å; R223-Q226 WeakPolarHBondContact O-CA 3.29Å; R223-Q226 PolarHBondContact O-N 2.97Å; R223-L227 PolarHBondContact O-N 2.96Å; R223-E354 IonicContact CZ-OE1 2.79Å; R223-E354 IonicContact CZ-OE2 2.96Å; R223-E354 IonicContact NE-OE1 3.38Å; R223-E354 PolarHBondContact NE-OE1 3.25Å; R223-E354 IonicContact NE-OE2 3.17Å; R223-E354 PolarHBondContact NE-OE2 3.11Å; R223-E354 VanDerWaalsContact NH2-CD 3.3Å; R223-E354 IonicContact NH2-OE1 3.54Å; R223-E354 PolarHBondContact NH2-OE1 2.71Å; R223-E354 IonicContact NH2-OE2 3.65Å; R223-E354 PolarHBondContact NH2-OE2 2.67Å; R223-L374 HydrophobicContact CB-CD1 3.61Å; R223-L374 HydrophobicContact CB-CD2 4.29Å; R223-L374 HydrophobicContact CB-CG 3.86Å; R223-L374 HydrophobicContact CG-CD1 4.23Å
224S98.3Very high96.4Very high9 Ų933.5 Ų33.56%0.06317%0.167CC..Hα-helixtrans-46.7-50.1172.5177.70000111.4F220 Q226 L227 D228 L374 E377F220-S224 WeakPolarHBondContact O-CB 3.5Å; F220-S224 PolarHBondContact O-N 2.71Å; S224-Q226 VanDerWaalsContact C-N 3.28Å; S224-Q226 PolarHBondContact O-N 2.94Å; S224-L227 PolarHBondContact O-N 3.13Å; S224-D228 WeakPolarHBondContact O-CB 3.48Å; S224-D228 PolarHBondContact O-N 2.89Å; S224-L374 WeakPolarHBondContact CA-O 3.14Å; S224-L374 WeakPolarHBondContact CB-O 3.49Å; S224-L374 PolarHBondContact OG-O 2.76Å; S224-E377 WeakPolarHBondContact OG-CB 3.33Å; S224-E377 PolarHBondContact OG-OE2 2.63Å
225N98.1Very high96.6Very high64 Ų6431.4 Ų31.434%0.34215%0.154SC..Hα-helixtrans-66.1-27.6-179.5-173.8-102.4000113.3Q221 R223 R229Q221-N225 PolarHBondContact O-N 3.08Å; R223-N225 PolarHBondContact O-N 3.1Å; N225-R229 VanDerWaalsContact O-CB 3.24Å; N225-R229 WeakPolarHBondContact O-CB 3.49Å; N225-R229 WeakPolarHBondContact O-CD 3.35Å; N225-R229 WeakPolarHBondContact O-CG 3.49Å; N225-R229 PolarHBondContact O-N 3.16Å; N225-R229 WeakPolarHBondContact OD1-CD 3.18Å
226Q98Very high96.6Very high15 Ų1534.3 Ų34.37%0.0717%0.17CC..Hα-helixtrans-82.7-39.2176.3-64.1-12.5-80.600111.2I222 R223 S224 R229 S230I222-Q226 WeakPolarHBondContact O-CG 3.48Å; I222-Q226 PolarHBondContact O-N 3.16Å; I222-Q226 PolarHBondContact O-NE2 2.98Å; R223-Q226 WeakPolarHBondContact O-CA 3.29Å; R223-Q226 PolarHBondContact O-N 2.97Å; S224-Q226 VanDerWaalsContact C-N 3.28Å; S224-Q226 PolarHBondContact O-N 2.94Å; Q226-R229 PolarHBondContact O-N 3.22Å; Q226-S230 WeakPolarHBondContact O-CB 3.43Å; Q226-S230 PolarHBondContact O-N 2.75Å; Q226-S230 PolarHBondContact O-OG 3.49Å
227L98.4Very high96.4Very high1 Ų137.3 Ų37.31%0.00518%0.184CC..Hα-helixtrans-55.8-55171.7174.363.3000111.2R223 S224 R229 S230 I231 L350 L374 I375 A378R223-L227 PolarHBondContact O-N 2.96Å; S224-L227 PolarHBondContact O-N 3.13Å; L227-R229 PolarHBondContact O-N 2.83Å; L227-S230 WeakPolarHBondContact O-CB 3.44Å; L227-S230 PolarHBondContact O-N 3.43Å; L227-S230 VanDerWaalsContact O-N 3.1Å; L227-I231 HydrophobicContact CD1-CD1 3.99Å; L227-I231 HydrophobicContact CG-CD1 4.22Å; L227-I231 PolarHBondContact O-N 2.98Å; L227-I231 VanDerWaalsContact O-N 3.15Å; L227-L350 HydrophobicContact CD1-CB 3.43Å; L227-L350 VanDerWaalsContact CD1-CB 3.43Å; L227-L350 HydrophobicContact CD1-CD1 4.13Å; L227-L350 HydrophobicContact CD1-CG 4.38Å; L227-L374 HydrophobicContact CD2-CD2 3.87Å; L227-I375 HydrophobicContact CD2-CB 4.49Å; L227-I375 HydrophobicContact CD2-CG2 4.12Å; L227-A378 HydrophobicContact CD2-CB 3.83Å; L227-A378 HydrophobicContact CG-CB 3.76Å
228D98.1Very high96.1Very high8 Ų836 Ų364%0.04318%0.175CC..Hα-helixtrans-58.2-44.7177.9173.778.5000112.4S224 S230 I231 K232 E377 A378 N381S224-D228 WeakPolarHBondContact O-CB 3.48Å; S224-D228 PolarHBondContact O-N 2.89Å; D228-S230 VanDerWaalsContact C-N 3.29Å; D228-S230 PolarHBondContact O-N 2.83Å; D228-I231 PolarHBondContact O-N 3.21Å; D228-K232 WeakPolarHBondContact O-CB 3.34Å; D228-K232 WeakPolarHBondContact O-CG 3.08Å; D228-K232 PolarHBondContact O-N 3.19Å; D228-K232 WeakPolarHBondContact OD1-CE 3.19Å; D228-K232 IonicContact OD1-NZ 3.36Å; D228-K232 PolarHBondContact OD1-NZ 2.94Å; D228-K232 WeakPolarHBondContact OD2-CD 3.24Å; D228-K232 WeakPolarHBondContact OD2-CE 3.42Å; D228-K232 IonicContact OD2-NZ 2.63Å; D228-K232 PolarHBondContact OD2-NZ 3.05Å; D228-E377 HydrophobicContact CB-CG 4.37Å; D228-A378 HydrophobicContact CB-CB 4.24Å; D228-N381 PolarHBondContact OD1-ND2 2.66Å
229R98Very high95.6Very high126 Ų12640.2 Ų40.248%0.47519%0.188SC..Hα-helixtrans-68-26176.9-72.9173.372.2-150.65.1113.5P164 N225 Q226 L227 G233P164-R229 HydrophobicContact CB-CB 4.01Å; P164-R229 HydrophobicContact CG-CB 3.67Å; N225-R229 VanDerWaalsContact O-CB 3.24Å; N225-R229 WeakPolarHBondContact O-CB 3.49Å; N225-R229 WeakPolarHBondContact O-CD 3.35Å; N225-R229 WeakPolarHBondContact O-CG 3.49Å; N225-R229 PolarHBondContact O-N 3.16Å; N225-R229 WeakPolarHBondContact OD1-CD 3.18Å; Q226-R229 PolarHBondContact O-N 3.22Å; L227-R229 PolarHBondContact O-N 2.83Å; R229-G233 PolarHBondContact O-N 3.12Å
230S98.1Very high94.9Very high3 Ų346.2 Ų46.22%0.02121%0.214CC..Hα-helixtrans-69.3-48.9175.1-55.70000110.1P164 V165 Q226 L227 D228 G233 L234P164-S230 VanDerWaalsContact CA-OG 3.3Å; P164-S230 WeakPolarHBondContact CA-OG 3.39Å; V165-S230 PolarHBondContact N-OG 3.03Å; Q226-S230 WeakPolarHBondContact O-CB 3.43Å; Q226-S230 PolarHBondContact O-N 2.75Å; Q226-S230 PolarHBondContact O-OG 3.49Å; L227-S230 WeakPolarHBondContact O-CB 3.44Å; L227-S230 PolarHBondContact O-N 3.43Å; L227-S230 VanDerWaalsContact O-N 3.1Å; D228-S230 VanDerWaalsContact C-N 3.29Å; D228-S230 PolarHBondContact O-N 2.83Å; S230-G233 WeakPolarHBondContact O-CA 3.17Å; S230-G233 PolarHBondContact O-N 2.97Å; S230-L234 PolarHBondContact O-N 3.4Å
231I97.6Very high93.8Very high9 Ų946.8 Ų46.85%0.04622%0.223CC..Hα-helixtrans-64.4-45178-65.5158.6000110.8L227 D228 G233 L234 K235 C343 F347 L350 A378 L382L227-I231 HydrophobicContact CD1-CD1 3.99Å; L227-I231 HydrophobicContact CG-CD1 4.22Å; L227-I231 PolarHBondContact O-N 2.98Å; L227-I231 VanDerWaalsContact O-N 3.15Å; D228-I231 PolarHBondContact O-N 3.21Å; I231-G233 VanDerWaalsContact C-N 3.3Å; I231-G233 PolarHBondContact O-N 2.9Å; I231-L234 WeakPolarHBondContact O-CB 3.32Å; I231-L234 PolarHBondContact O-N 3.1Å; I231-K235 PolarHBondContact O-N 3.41Å; I231-C343 HydrophobicContact CG2-CB 4.16Å; I231-F347 HydrophobicContact CD1-CB 4.15Å; I231-F347 HydrophobicContact CD1-CD2 4.02Å; I231-L350 HydrophobicContact CD1-CD1 4.47Å; I231-L350 HydrophobicContact CG1-CD1 3.87Å; I231-A378 HydrophobicContact CD1-CB 3.91Å; I231-L382 HydrophobicContact CD1-CD1 4.25Å; I231-L382 HydrophobicContact CG2-CD1 4.23Å; I231-L382 HydrophobicContact CG2-CD2 3.9Å; I231-L382 HydrophobicContact CG2-CG 4.29Å
232K95.8Very high92.1Very high95 Ų9544 Ų4441%0.41322%0.215SC..Hα-helixtrans-62.8-36.5173.3-73.1172.4-176.5159.60112.1D228 K235 D236 N381D228-K232 WeakPolarHBondContact O-CB 3.34Å; D228-K232 WeakPolarHBondContact O-CG 3.08Å; D228-K232 PolarHBondContact O-N 3.19Å; D228-K232 WeakPolarHBondContact OD1-CE 3.19Å; D228-K232 IonicContact OD1-NZ 3.36Å; D228-K232 PolarHBondContact OD1-NZ 2.94Å; D228-K232 WeakPolarHBondContact OD2-CD 3.24Å; D228-K232 WeakPolarHBondContact OD2-CE 3.42Å; D228-K232 IonicContact OD2-NZ 2.63Å; D228-K232 PolarHBondContact OD2-NZ 3.05Å; K232-K235 PolarHBondContact O-N 2.98Å; K232-D236 WeakPolarHBondContact O-CB 3.42Å; K232-D236 PolarHBondContact O-N 3.35Å; K232-N381 PolarHBondContact NZ-ND2 3.17Å
233G96.1Very high90.1Very high27 Ų2747.6 Ų47.628%0.27825%0.247SC..Hα-helixtrans-62.2-38.817300000113.4P167 R229 S230 I231 D236 H237P167-G233 WeakPolarHBondContact CG-O 3.08Å; R229-G233 PolarHBondContact O-N 3.12Å; S230-G233 WeakPolarHBondContact O-CA 3.17Å; S230-G233 PolarHBondContact O-N 2.97Å; I231-G233 VanDerWaalsContact C-N 3.3Å; I231-G233 PolarHBondContact O-N 2.9Å; G233-D236 PolarHBondContact O-N 2.63Å; G233-H237 PolarHBondContact O-N 2.89Å
234L95Very high87.6Confident0 Ų051.8 Ų51.80%028%0.277CS..Hα-helixtrans-66.6-46.1174.7-178.863.5000111.8P167 I170 L171 S230 I231 D236 H237 F238 H342 A346P167-L234 HydrophobicContact CB-CD1 3.96Å; I170-L234 HydrophobicContact CD1-CB 4.43Å; I170-L234 HydrophobicContact CG2-CD2 4Å; L171-L234 HydrophobicContact CD1-CD1 4.21Å; L171-L234 HydrophobicContact CD2-CD1 4.05Å; L171-L234 HydrophobicContact CG-CD1 3.92Å; S230-L234 PolarHBondContact O-N 3.4Å; I231-L234 WeakPolarHBondContact O-CB 3.32Å; I231-L234 PolarHBondContact O-N 3.1Å; L234-D236 VanDerWaalsContact C-N 3.3Å; L234-D236 PolarHBondContact O-N 3.15Å; L234-H237 WeakPolarHBondContact O-CA 3.37Å; L234-H237 VanDerWaalsContact O-CB 3.29Å; L234-H237 WeakPolarHBondContact O-CB 3.48Å; L234-H237 PolarHBondContact O-N 3.34Å; L234-F238 HydrophobicContact CD1-CD2 4.24Å; L234-F238 HydrophobicContact CD1-CE2 3.7Å; L234-F238 HydrophobicContact CD2-CE2 4.48Å; L234-F238 HydrophobicContact CG-CD2 4.23Å; L234-F238 HydrophobicContact CG-CE2 3.88Å; L234-F238 WeakPolarHBondContact O-CD2 3.26Å; L234-F238 PolarHBondContact O-N 2.82Å; L234-F238 VanDerWaalsContact O-N 3.13Å; L234-H342 HydrophobicContact CD2-CB 4.4Å; L234-A346 HydrophobicContact CD2-CB 3.58Å
235K92.1Very high85.1Confident36 Ų3655 Ų5516%0.15730%0.299CS..Hα-helixtrans-58.9-41.7174.1-176.8165.6-173.3163.20112.6I231 K232 H237 R239 E385I231-K235 PolarHBondContact O-N 3.41Å; K232-K235 PolarHBondContact O-N 2.98Å; K235-H237 VanDerWaalsContact C-N 3.29Å; K235-H237 PolarHBondContact O-N 2.89Å; K235-R239 PolarHBondContact O-N 3.22Å; K235-E385 IonicContact NZ-OE1 3.19Å; K235-E385 PolarHBondContact NZ-OE1 3.31Å; K235-E385 IonicContact NZ-OE2 3.53Å; K235-E385 PolarHBondContact NZ-OE2 2.89Å
236D91.3Very high82.1Confident71 Ų7155.6 Ų55.638%0.3832%0.321SS..Hα-helixtrans-64.3-32.6173.8-108.829.3000112.6K232 G233 L234 K240K232-D236 WeakPolarHBondContact O-CB 3.42Å; K232-D236 PolarHBondContact O-N 3.35Å; G233-D236 PolarHBondContact O-N 2.63Å; L234-D236 VanDerWaalsContact C-N 3.3Å; L234-D236 PolarHBondContact O-N 3.15Å; D236-K240 VanDerWaalsContact O-CB 3.32Å; D236-K240 WeakPolarHBondContact O-CB 3.34Å; D236-K240 VanDerWaalsContact O-CD 3.27Å; D236-K240 WeakPolarHBondContact O-CD 3.44Å; D236-K240 WeakPolarHBondContact O-CG 3.47Å; D236-K240 PolarHBondContact O-N 3.19Å; D236-K240 IonicContact OD2-NZ 2.61Å; D236-K240 PolarHBondContact OD2-NZ 3.17Å
237H91.6Very high79.1Confident69 Ų6961.7 Ų61.732%0.31935%0.352SS..Hα-helixtrans-66.7-47.7177-179.9-100.9000111.7P167 G233 L234 K235 K240 S241P167-H237 HydrophobicContact CB-CB 3.72Å; P167-H237 HydrophobicContact CG-CB 3.89Å; G233-H237 PolarHBondContact O-N 2.89Å; L234-H237 WeakPolarHBondContact O-CA 3.37Å; L234-H237 VanDerWaalsContact O-CB 3.29Å; L234-H237 WeakPolarHBondContact O-CB 3.48Å; L234-H237 PolarHBondContact O-N 3.34Å; K235-H237 VanDerWaalsContact C-N 3.29Å; K235-H237 PolarHBondContact O-N 2.89Å; H237-K240 PolarHBondContact O-N 3.19Å; H237-S241 WeakPolarHBondContact O-CB 3.31Å; H237-S241 PolarHBondContact O-N 3.38Å
238F88.5Confident75.9Confident37 Ų3769.5 Ų69.516%0.16239%0.393CS..Hα-helixtrans-57.3-51.4174.2-77.1-74.3000111.4L171 L234 K240 S241 S242 H342L171-F238 HydrophobicContact CD2-CE2 4.38Å; L171-F238 HydrophobicContact CD2-CZ 3.98Å; L234-F238 HydrophobicContact CD1-CD2 4.24Å; L234-F238 HydrophobicContact CD1-CE2 3.7Å; L234-F238 HydrophobicContact CD2-CE2 4.48Å; L234-F238 HydrophobicContact CG-CD2 4.23Å; L234-F238 HydrophobicContact CG-CE2 3.88Å; L234-F238 WeakPolarHBondContact O-CD2 3.26Å; L234-F238 PolarHBondContact O-N 2.82Å; L234-F238 VanDerWaalsContact O-N 3.13Å; F238-K240 VanDerWaalsContact C-N 3.29Å; F238-K240 PolarHBondContact O-N 3.28Å; F238-S241 PolarHBondContact O-N 2.85Å; F238-S242 PolarHBondContact O-N 2.95Å; F238-S242 PolarHBondContact O-OG 3.03Å; F238-H342 HydrophobicContact CE2-CB 3.6Å; F238-H342 AromaticContact CE2-CG 3.87Å; F238-H342 HydrophobicContact CZ-CB 3.75Å; F238-H342 AromaticContact CZ-CD2 3.76Å; F238-H342 AromaticContact CZ-CE1 3.96Å; F238-H342 AromaticContact CZ-CG 3.44Å; F238-H342 VanDerWaalsContact CZ-CG 3.44Å; F238-H342 AromaticContact CZ-ND1 3.58Å
239R84.3Confident72.7Confident114 Ų11480.1 Ų80.143%0.4343%0.434SS..Hα-helixtrans-58-36.8178-75.1177.8163.9171.6-4.9113.6K235 A243 E336K235-R239 PolarHBondContact O-N 3.22Å; R239-A243 PolarHBondContact O-N 2.98Å; R239-E336 IonicContact CZ-OE1 3.38Å; R239-E336 IonicContact NE-OE1 2.7Å; R239-E336 PolarHBondContact NE-OE1 3.05Å; R239-E336 IonicContact NH2-OE1 3.66Å; R239-E336 PolarHBondContact NH2-OE1 2.62Å
240K84.3Confident69.2Low126 Ų12678.5 Ų78.555%0.54844%0.442SS..Hα-helixtrans-78.2-37.9178.3-73.3162.5-172.41570113D236 H237 F238 A243 S244D236-K240 VanDerWaalsContact O-CB 3.32Å; D236-K240 WeakPolarHBondContact O-CB 3.34Å; D236-K240 VanDerWaalsContact O-CD 3.27Å; D236-K240 WeakPolarHBondContact O-CD 3.44Å; D236-K240 WeakPolarHBondContact O-CG 3.47Å; D236-K240 PolarHBondContact O-N 3.19Å; D236-K240 IonicContact OD2-NZ 2.61Å; D236-K240 PolarHBondContact OD2-NZ 3.17Å; H237-K240 PolarHBondContact O-N 3.19Å; F238-K240 VanDerWaalsContact C-N 3.29Å; F238-K240 PolarHBondContact O-N 3.28Å; K240-A243 PolarHBondContact O-N 3.46Å; K240-S244 PolarHBondContact O-N 3.18Å; K240-S244 PolarHBondContact O-OG 2.89Å
241S73.5Confident66.2Low51 Ų5184.9 Ų84.936%0.35748%0.484SS..Hα-helixtrans-55.9-52.9173.4-173.50000109.5H237 F238 A243 S244 S245H237-S241 WeakPolarHBondContact O-CB 3.31Å; H237-S241 PolarHBondContact O-N 3.38Å; F238-S241 PolarHBondContact O-N 2.85Å; S241-A243 VanDerWaalsContact C-N 3.33Å; S241-A243 PolarHBondContact O-N 3.11Å; S241-S244 CarbonylContact O-C 3.57Å; S241-S244 WeakPolarHBondContact O-CA 3.27Å; S241-S244 PolarHBondContact O-N 3.4Å; S241-S244 PolarHBondContact O-OG 3.41Å; S241-S245 PolarHBondContact O-N 3.46Å; S241-S245 PolarHBondContact O-OG 3.29Å
242S62Low62.9Low45 Ų4588.2 Ų88.232%0.31551%0.512SS..Hα-helixtrans-55.5-42.5177-52.90000113.7F238 S244 S245 I335F238-S242 PolarHBondContact O-N 2.95Å; F238-S242 PolarHBondContact O-OG 3.03Å; S242-S244 PolarHBondContact O-N 2.85Å; S242-S245 PolarHBondContact O-N 3.25Å; S242-I335 VanDerWaalsContact CB-CD1 3.49Å; S242-I335 WeakPolarHBondContact OG-CD1 3.24Å; S242-I335 WeakPolarHBondContact OG-CG1 3.27Å; S242-I335 WeakPolarHBondContact OG-CG2 3.43Å
243A55.4Low60Low93 Ų9390.4 Ų90.477%0.76953%0.533SS*.THydrogen-bonded Turntrans-68-10.3175.800000114.3R239 K240 S241R239-A243 PolarHBondContact O-N 2.98Å; K240-A243 PolarHBondContact O-N 3.46Å; S241-A243 VanDerWaalsContact C-N 3.33Å; S241-A243 PolarHBondContact O-N 3.11Å
244S45.9Very low56.8Low88 Ų8897.8 Ų97.862%0.61556%0.561SS**THydrogen-bonded Turntrans-111.8-12179.2730000114.6K240 S241 S242 G246K240-S244 PolarHBondContact O-N 3.18Å; K240-S244 PolarHBondContact O-OG 2.89Å; S241-S244 CarbonylContact O-C 3.57Å; S241-S244 WeakPolarHBondContact O-CA 3.27Å; S241-S244 PolarHBondContact O-N 3.4Å; S241-S244 PolarHBondContact O-OG 3.41Å; S242-S244 PolarHBondContact O-N 2.85Å; S244-G246 PolarHBondContact O-N 3.24Å
245S44.8Very low53.5Low77 Ų77103.7 Ų103.754%0.53860%0.597SS.*  trans-78.359.7-169.6-710000114.7S241 S242 I247S241-S245 PolarHBondContact O-N 3.46Å; S241-S245 PolarHBondContact O-OG 3.29Å; S242-S245 PolarHBondContact O-N 3.25Å; S245-I247 VanDerWaalsContact C-N 3.26Å
246G36.5Very low50.5Low77 Ų77111.9 Ų111.979%0.79463%0.632SS**SBendtrans-84.83.6157.400000113.5S244S244-G246 PolarHBondContact O-N 3.24Å
247I34.7Very low47.5Very low143 Ų143120.3 Ų120.373%0.73366%0.659SS**SBendtrans-137.6120.6-175.2-59179.9000109S245S245-I247 VanDerWaalsContact C-N 3.26Å
248L30.9Very low44.7Very low165 Ų165125.9 Ų125.986%0.86468%0.682SS**  trans-70.8136.2172.8-68.8163.1000110.7
249Y29.6Very low41.7Very low230 Ų230131.9 Ų131.990%0.90272%0.716SS**  trans-94.7140.9160-122.5-91.4000109.4
250S25.3Very low39Very low92 Ų92132.3 Ų132.364%0.64373%0.731SS**  trans-126.9137.2167.8-63.40000109.1A252S250-A252 PolarHBondContact O-N 3.26Å; S250-A252 VanDerWaalsContact O-N 3.08Å
251P34.9Very low37Very low138 Ų138132.1 Ų132.190%0.89674%0.743SS**  trans-73.8102.6-17929.4-33.4000110.2
252A27.5Very low34.9Very low78 Ų78136.8 Ų136.865%0.64577%0.77SS**  trans-131.7105.717500000110.4S250 Q254S250-A252 PolarHBondContact O-N 3.26Å; S250-A252 VanDerWaalsContact O-N 3.08Å; A252-Q254 PolarHBondContact O-N 3.07Å; A252-Q254 VanDerWaalsContact O-N 3.16Å
253V36Very low33.4Very low141 Ų141144.2 Ų144.286%0.85580%0.796SS**  trans-58.8114.9178.91760000110.6
254Q27.8Very low32.1Very low182 Ų182150.1 Ų150.185%0.8581%0.805SS**  trans-105.2114.5167.1-66.3-158.21200110.8A252A252-Q254 PolarHBondContact O-N 3.07Å; A252-Q254 VanDerWaalsContact O-N 3.16Å
255T27.5Very low31.1Very low125 Ų125150.4 Ų150.477%0.76781%0.812SS**PPolyproline II helixtrans-71137.1-177.745.70000111.8R257T255-R257 PolarHBondContact O-N 3.33Å
256K28.8Very low30.8Very low207 Ų207152.5 Ų152.590%0.982%0.824SS**PPolyproline II helixtrans-56.9125.8179.9-63.8174.1-178.2171.40111
257R28.3Very low30.4Very low249 Ų249158.9 Ų158.994%0.9483%0.83SS**PPolyproline II helixtrans-100.4157.2151.6-78.5-167.2173.2-167.5-0.5110.3T255T255-R257 PolarHBondContact O-N 3.33Å
258K32.2Very low30.1Very low186 Ų186162.9 Ų162.981%0.80984%0.836SS**  trans-132.9111.1-151.7174.3-171.3-179.4-179.20109.2
259D25.7Very low30.2Very low163 Ų163161.2 Ų161.287%0.87284%0.835SS**  trans-117.9147.5171.7-81.5-61.7000111
260T28Very low30.1Very low122 Ų122156 Ų15675%0.74883%0.826SS**  trans-119.1152.6-173.126.50000112.3
261P40.9Very low30.1Very low122 Ų122161.1 Ų161.179%0.79283%0.833SS**  trans-89153.7-160.634.6-37.2000114.3
262T30.9Very low29.7Very low149 Ų149160.6 Ų160.691%0.91482%0.821SS**  trans-140149.715817.30000113.1
263K30.4Very low30.1Very low202 Ų202163 Ų16388%0.87883%0.83SS**  trans-84.6155.2-166.5-55.8167.8179.8173.80113.4
264K26.7Very low29.6Very low217 Ų217159.4 Ų159.494%0.94382%0.822SS**  -163.7165.8122.6-105155.6-1721760112.6
265A26.6Very low29.5Very low93 Ų93156.8 Ų156.877%0.76982%0.819SS**  trans-119.1161.4-161.200000113.3
266P38.2Very low29.5Very low122 Ų122157.9 Ų157.979%0.79282%0.818SS**  trans-94.4159.1-167.637.1-36.5000114.9
267K27.7Very low29.6Very low211 Ų211158.8 Ų158.892%0.91782%0.816SS**  trans-145.5146.5160.6-72.2-164.7176.2-175.90112.1
268R28.6Very low29.5Very low227 Ų227156 Ų15686%0.85781%0.811SS**  trans-86167.9166.2-61.1178.5-179.7170.6-1.1110.4
269P32.5Very low29.1Very low130 Ų130151.1 Ų151.184%0.84481%0.805SS**  -134.9-168.3114.738.7-28.5000113.4
270V26.9Very low29.1Very low119 Ų119150.9 Ų150.972%0.72180%0.799SS**  trans-145.7148.8-160174.30000112.3
271Y25.3Very low29Very low201 Ų201151.3 Ų151.379%0.78880%0.796SS**  trans89.6119.1160.7-115-112.6000123.1
272I26.9Very low28.3Very low126 Ų126152.5 Ų152.565%0.64680%0.796SS**  trans-23.8163.6145.113.1171.1000117
273P36.9Very low28.1Very low128 Ų128151.5 Ų151.583%0.83178%0.784SS**  cis-142.7172.431.442.1-22.8000119.3
274G25Very low28.1Very low66 Ų66149.8 Ų149.868%0.6878%0.776SS**  trans169.989.6165.400000120.5
275T26.5Very low28.2Very low128 Ų128145.1 Ų145.179%0.78576%0.758SS**  trans43.5124.4141.3480000125.7
276I27.1Very low28.3Very low148 Ų148150.1 Ų150.176%0.75976%0.758SS**  83.2116.6128.4-62.5169000121.9
277R29.8Very low27.8Very low225 Ų225148.4 Ų148.485%0.84975%0.75SS**  trans4.8144.7142-54.4167.9165.9163.3-6.8117.7
278K26.9Very low28Very low191 Ų191146.7 Ų146.783%0.8375%0.745SS**  166.316363.8-148.8177.4-175.6-173.30110.3
279A24.5Very low28.2Very low84 Ų84144.3 Ų144.369%0.69474%0.743SS**  trans65.5164.1153.700000119.8
280Q25.4Very low27.9Very low157 Ų157141.1 Ų141.173%0.73473%0.734SS**  -175.2129.9-50.5-117.2174.8-40.900110.6
281N25.7Very low28.2Very low131 Ų131142.7 Ų142.770%0.70174%0.738SS**  trans63.3163.6147.3-61.3-5.6000122.4
282L26.8Very low28.5Very low148 Ų148140.3 Ų140.378%0.77574%0.738SS**  trans79.5136.2163-62.6118.9000118.8
283L26.8Very low28.6Very low128 Ų128137.3 Ų137.367%0.6774%0.738SS**  cis-170.2162.3-21.4-147.973.3000112.3
284K29.8Very low28.4Very low165 Ų165141.5 Ų141.572%0.71774%0.744SS**  trans68.8153.6155.3-78.8176.6175.2-173.60118.3
285Q28.3Very low28.6Very low119 Ų119148.6 Ų148.656%0.55676%0.756SS**  cis-159.6175.9-13-125.1169.2-113.100106.4
286Y28.1Very low28.7Very low198 Ų198146.5 Ų146.578%0.77676%0.76SS**  cis-118.7-174.612.3-88.5-95.7000110.2
287S28.5Very low28.7Very low87 Ų87142.7 Ų142.761%0.60876%0.757SS**  cis70.9134.146.5-134.50000114.9
288Q31.9Very low28.7Very low175 Ų175137.4 Ų137.482%0.81875%0.754SS**  cis-129.6137.520-71.6169.4-30.300112.5
289H32.2Very low28.7Very low176 Ų176135.7 Ų135.782%0.81575%0.754SS**  49.4131.5102.1-78.1-97.4000118.1
290G26.3Very low28.8Very low64 Ų64139.9 Ų139.966%0.6676%0.764SS**  cis161179.6-8.900000115.3
291L33.2Very low28.9Very low152 Ų152138.2 Ų138.280%0.79677%0.765SS**  trans69.6144.4166.8-47.8-176.5000117.1
292D32Very low29.6Very low150 Ų150137 Ų13780%0.80276%0.764SS**  cis-149.9176.4-8.1-136-41.9000113.1
293G29.4Very low29.6Very low63 Ų63136.5 Ų136.565%0.64976%0.762SS**  trans-67.6-178.1-171.400000118
294K31.6Very low29.5Very low216 Ų216139.1 Ų139.194%0.93977%0.77SS**  cis-143.7174.543.9-77.5176.8177172.50115.3
295K30.6Very low29.4Very low215 Ų215135 Ų13594%0.93577%0.774SS**  trans-95.5159.5-176.8-59.3176.1177.1178.80113.7
296G27.9Very low29.3Very low84 Ų84137.9 Ų137.987%0.86679%0.788SS**  trans117.9139.9151.600000114.5
297G27.4Very low29.3Very low69 Ų69133.9 Ų133.971%0.71178%0.78SS**  cis161112.5-8.600000113.7
298S29Very low29.2Very low113 Ų113137.6 Ų137.679%0.7979%0.787SS**  trans48.6113.9160.856.10000120.2
299N27.5Very low28.8Very low155 Ų155136 Ų13683%0.82978%0.784SS**  trans26.9129.3136.6-52.90.3000120.1
300L26.9Very low28.6Very low172 Ų172136 Ų13690%0.90179%0.785SS**  -168.9149.7115.1-101.5164.4000111.9
301T26.2Very low28.6Very low123 Ų123144.9 Ų144.976%0.75580%0.798SS**  trans-122-179.5163.257.40000107.2
302P41.6Very low28.3Very low104 Ų104143.9 Ų143.968%0.67580%0.798SS**  cis-126.2-175.5-11.127-4.1000112.5
303L25.5Very low28Very low138 Ų138146 Ų14672%0.72380%0.8SS**  157136.7121.5-85.3157.4000114.6
304E26.2Very low27.9Very low183 Ų183150.1 Ų150.186%0.85580%0.803SS**  trans35.4126.3145-69.2168.3172.200122.9
305G27.2Very low27.6Very low78 Ų78148.5 Ų148.580%0.80480%0.798SS**  trans-158131.215500000108.2
306H26.6Very low27.4Very low180 Ų180143.2 Ų143.283%0.83379%0.788SS**  trans-115.3165.6-166.8-129.547.5000113.2
307D27.4Very low27.1Very low115 Ų115147.6 Ų147.662%0.61579%0.792SS**  trans77.3124.4155.3-74.5-53.9000123.4
308H25.8Very low27Very low164 Ų164148.6 Ų148.676%0.75979%0.793SS**  trans65.3150.4144.8-68.662.1000118.3
309D25.5Very low27Very low142 Ų142151.2 Ų151.276%0.75980%0.798SS**  cis-145.4174.410.1-158.7-2.7000112
310Q27.1Very low27Very low177 Ų177150 Ų15083%0.82780%0.796SS**  trans-73.2134.4-178-57.9-179.80.500114.1
311R26.3Very low26.9Very low249 Ų249149.7 Ų149.794%0.9480%0.796SS**  trans-155.3135.9142.3-133.3169.2-179.5171.50.8116.2
312V27.8Very low27Very low132 Ų132152.3 Ų152.380%0.880%0.796SS**  trans-61.2135.6176.1174.40000112.8
313K25.7Very low26.6Very low193 Ų193157.2 Ų157.284%0.83981%0.81SS**  trans-166.6154.7136-108.5167.6-175.8-175.60114.6
314H26.1Very low26.6Very low151 Ų151153.9 Ų153.970%0.69981%0.809SS**  trans-39.7124.4-171.1-56.9-82.4000118.8
315Q26Very low26.9Very low182 Ų182150 Ų15085%0.8581%0.808SS**  28.195102.4-171.8-177.332.200116.8
316S25.2Very low27.1Very low104 Ų104149.4 Ų149.473%0.72780%0.795SS**  trans-161.288.4152.461.10000110.9
317D22Very low27.4Very low175 Ų175143.1 Ų143.194%0.93678%0.775SS**  trans-150.7107.4161.1-98.9-39.2000109.6
318A25.9Very low27.6Very low90 Ų90140.4 Ų140.474%0.74477%0.774SS**  trans-153.1156.9169.900000107
319L28.8Very low28.5Very low168 Ų168140.1 Ų140.188%0.8877%0.771SS**  trans73.361.4-177.2-47.8175.5000116.4
320T27.2Very low29.6Very low130 Ų130137.4 Ų137.480%0.79876%0.756SS**  -152.1106.7110.848.40000110.5
321D24.8Very low31Very low166 Ų166133.2 Ų133.289%0.88874%0.739SS**  trans-131.4126.5146-134.6-24.8000107.9
322K27.8Very low32.6Very low178 Ų178125 Ų12577%0.77472%0.717SS**  trans-99142.2-175.3-73.2-179.4178.3176.60108.6G324K322-G324 PolarHBondContact O-N 3.07Å
323H34.5Very low34.5Very low206 Ų206123.1 Ų123.195%0.95470%0.702SS**  trans-55.4116.6168.2-70.117.4000109.6
324G25.8Very low36.7Very low69 Ų69118.1 Ų118.171%0.71168%0.684SS**  trans-171.788.4-172.500000112.7K322K322-G324 PolarHBondContact O-N 3.07Å
325A32.1Very low39Very low100 Ų100113.3 Ų113.383%0.82666%0.663SS**  trans56.991.4168.100000117.5
326A31.8Very low41.7Very low66 Ų66108.3 Ų108.355%0.54564%0.64SS.*  trans-84-12.3161.600000113.9G328 K329A326-G328 VanDerWaalsContact C-N 3.33Å; A326-G328 PolarHBondContact O-N 3.31Å; A326-K329 PolarHBondContact O-N 2.99Å
327A31.4Very low44.6Very low48 Ų48104 Ų10440%0.39761%0.609SS.*Hα-helixtrans-38.2-51.8-167.800000115.3K329 D330 D331A327-K329 PolarHBondContact O-N 3.2Å; A327-D330 PolarHBondContact O-N 3.01Å; A327-D331 WeakPolarHBondContact O-CB 3.15Å; A327-D331 PolarHBondContact O-N 3.06Å
328G32.4Very low47.7Very low59 Ų5999.8 Ų99.861%0.60859%0.586SS**Hα-helixtrans-66.510.3-178.500000116.9A326 V332A326-G328 VanDerWaalsContact C-N 3.33Å; A326-G328 PolarHBondContact O-N 3.31Å; G328-V332 WeakPolarHBondContact O-CG2 3.19Å
329K44.8Very low50.8Low158 Ų15895.7 Ų95.769%0.68755%0.552SS**Hα-helixtrans-110.8-41.8162.5-77.3-177.8177.1174.20112.2A326 A327 V332 L333A326-K329 PolarHBondContact O-N 2.99Å; A327-K329 PolarHBondContact O-N 3.2Å; K329-V332 PolarHBondContact O-N 2.8Å; K329-L333 PolarHBondContact O-N 3.27Å; K329-L333 VanDerWaalsContact O-N 3.14Å
330D48.9Very low54Low84 Ų8487.9 Ų87.945%0.44951%0.511SS..Hα-helixtrans-66.4-47.4-179.1-51.1-33.6000109A327 V332 L333 D334A327-D330 PolarHBondContact O-N 3.01Å; D330-V332 PolarHBondContact O-N 3.19Å; D330-V332 VanDerWaalsContact O-N 3.11Å; D330-L333 PolarHBondContact O-N 2.91Å; D330-D334 PolarHBondContact O-N 2.83Å
331D54.8Low57.2Low89 Ų8982.9 Ų82.948%0.47648%0.479SS..Hα-helixtrans-48.2-43.1171.8-61-28.5000111.8A327 I335A327-D331 WeakPolarHBondContact O-CB 3.15Å; A327-D331 PolarHBondContact O-N 3.06Å; D331-I335 WeakPolarHBondContact O-CB 3.27Å; D331-I335 VanDerWaalsContact O-CD1 3.23Å; D331-I335 WeakPolarHBondContact O-CD1 3.18Å; D331-I335 WeakPolarHBondContact O-CG1 3.19Å; D331-I335 PolarHBondContact O-N 3.33Å
332V61Low60.5Low78 Ų7877.7 Ų77.747%0.47345%0.449SS..Hα-helixtrans-73.1-35.3-176178.30000111.8G328 K329 D330 E336G328-V332 WeakPolarHBondContact O-CG2 3.19Å; K329-V332 PolarHBondContact O-N 2.8Å; D330-V332 PolarHBondContact O-N 3.19Å; D330-V332 VanDerWaalsContact O-N 3.11Å; V332-E336 WeakPolarHBondContact O-CG 3.34Å; V332-E336 PolarHBondContact O-N 3.36Å
333L68Low63.8Low91 Ų9169.4 Ų69.448%0.47641%0.413SS..Hα-helixtrans-70.4-42.5175.4-70.4170.7000110.8K329 D330 I335 E336 I337K329-L333 PolarHBondContact O-N 3.27Å; K329-L333 VanDerWaalsContact O-N 3.14Å; D330-L333 PolarHBondContact O-N 2.91Å; L333-I335 VanDerWaalsContact C-N 3.33Å; L333-I335 PolarHBondContact O-N 2.93Å; L333-E336 PolarHBondContact O-N 3.38Å; L333-E336 VanDerWaalsContact O-N 3.09Å; L333-I337 WeakPolarHBondContact O-CD1 3.32Å; L333-I337 VanDerWaalsContact O-CG1 3.28Å; L333-I337 WeakPolarHBondContact O-CG1 3.4Å; L333-I337 PolarHBondContact O-N 3.37Å
334D72Confident66.7Low89 Ų8959.8 Ų59.848%0.47637%0.369SS..Hα-helixtrans-62-40.7176.2-68.3-19.1000111.3D330 E336 I337 D338D330-D334 PolarHBondContact O-N 2.83Å; D334-E336 VanDerWaalsContact C-N 3.33Å; D334-E336 PolarHBondContact O-N 2.9Å; D334-I337 WeakPolarHBondContact O-CB 3.33Å; D334-I337 PolarHBondContact O-N 2.83Å; D334-D338 WeakPolarHBondContact O-CB 3.49Å; D334-D338 PolarHBondContact O-N 3.41Å
335I74Confident70.1Confident49 Ų4957.4 Ų57.425%0.25134%0.341SS..Hα-helixtrans-58.5-40171.3-74.5158.4000112.7S242 D331 L333 S339S242-I335 VanDerWaalsContact CB-CD1 3.49Å; S242-I335 WeakPolarHBondContact OG-CD1 3.24Å; S242-I335 WeakPolarHBondContact OG-CG1 3.27Å; S242-I335 WeakPolarHBondContact OG-CG2 3.43Å; D331-I335 WeakPolarHBondContact O-CB 3.27Å; D331-I335 VanDerWaalsContact O-CD1 3.23Å; D331-I335 WeakPolarHBondContact O-CD1 3.18Å; D331-I335 WeakPolarHBondContact O-CG1 3.19Å; D331-I335 PolarHBondContact O-N 3.33Å; L333-I335 VanDerWaalsContact C-N 3.33Å; L333-I335 PolarHBondContact O-N 2.93Å; I335-S339 WeakPolarHBondContact O-CB 3.41Å; I335-S339 PolarHBondContact O-N 3.46Å
336E82.3Confident73.1Confident78 Ų7852.6 Ų52.636%0.36430%0.302SS..Hα-helixtrans-75-30.7178.4-67.2-157.5133.600112.5R239 V332 L333 D334 Y340R239-E336 IonicContact CZ-OE1 3.38Å; R239-E336 IonicContact NE-OE1 2.7Å; R239-E336 PolarHBondContact NE-OE1 3.05Å; R239-E336 IonicContact NH2-OE1 3.66Å; R239-E336 PolarHBondContact NH2-OE1 2.62Å; V332-E336 WeakPolarHBondContact O-CG 3.34Å; V332-E336 PolarHBondContact O-N 3.36Å; L333-E336 PolarHBondContact O-N 3.38Å; L333-E336 VanDerWaalsContact O-N 3.09Å; D334-E336 VanDerWaalsContact C-N 3.33Å; D334-E336 PolarHBondContact O-N 2.9Å; E336-Y340 WeakPolarHBondContact O-CB 3.41Å; E336-Y340 PolarHBondContact O-N 3.35Å; E336-Y340 VanDerWaalsContact O-N 3.07Å
337I85.8Confident76.3Confident14 Ų1449.6 Ų49.67%0.07228%0.277CS..Hα-helixtrans-65.8-54.2171.9-69.1161.4000110.6L333 D334 S339 Y340 I341 T407 P410 I411L333-I337 WeakPolarHBondContact O-CD1 3.32Å; L333-I337 VanDerWaalsContact O-CG1 3.28Å; L333-I337 WeakPolarHBondContact O-CG1 3.4Å; L333-I337 PolarHBondContact O-N 3.37Å; D334-I337 WeakPolarHBondContact O-CB 3.33Å; D334-I337 PolarHBondContact O-N 2.83Å; I337-S339 VanDerWaalsContact C-N 3.33Å; I337-S339 PolarHBondContact O-N 3.5Å; I337-Y340 WeakPolarHBondContact O-CB 3.43Å; I337-Y340 PolarHBondContact O-N 2.95Å; I337-I341 HydrophobicContact CG2-CD1 3.93Å; I337-I341 WeakPolarHBondContact O-CG1 3.46Å; I337-I341 PolarHBondContact O-N 3.06Å; I337-T407 HydrophobicContact CD1-CG2 3.74Å; I337-P410 HydrophobicContact CG2-CB 4.11Å; I337-I411 HydrophobicContact CG1-CD1 4.27Å; I337-I411 HydrophobicContact CG2-CD1 4.29Å; I337-I411 HydrophobicContact CG2-CG1 3.88Å
338D86.8Confident79.4Confident86 Ų8647.6 Ų47.646%0.4626%0.259SS..Hα-helixtrans-61-43178.6-81.1-9.5000111.2D334 Y340 I341 H342D334-D338 WeakPolarHBondContact O-CB 3.49Å; D334-D338 PolarHBondContact O-N 3.41Å; D338-Y340 PolarHBondContact O-N 2.95Å; D338-I341 PolarHBondContact O-N 3.29Å; D338-H342 PolarHBondContact O-N 2.93Å; D338-H342 PolarHBondContact O-ND1 3.42Å
339S92.1Very high82.4Confident3 Ų346.9 Ų46.92%0.02124%0.24CC..Hα-helixtrans-63.6-28.6175.8-177.40000112.3I335 I337 C343I335-S339 WeakPolarHBondContact O-CB 3.41Å; I335-S339 PolarHBondContact O-N 3.46Å; I337-S339 VanDerWaalsContact C-N 3.33Å; I337-S339 PolarHBondContact O-N 3.5Å; S339-C343 WeakPolarHBondContact O-CB 3.34Å; S339-C343 PolarHBondContact O-N 3.38Å; S339-C343 PolarHBondContact O-SG 3.39Å
340Y94.9Very high84.8Confident5 Ų539.5 Ų39.52%0.0221%0.207CC..Hα-helixtrans-76-44.7175.3-176.1-114.3000111.6E336 I337 D338 H342 C343 I344 L382 E385 G386 I389 I411 L440 M444E336-Y340 WeakPolarHBondContact O-CB 3.41Å; E336-Y340 PolarHBondContact O-N 3.35Å; E336-Y340 VanDerWaalsContact O-N 3.07Å; I337-Y340 WeakPolarHBondContact O-CB 3.43Å; I337-Y340 PolarHBondContact O-N 2.95Å; D338-Y340 PolarHBondContact O-N 2.95Å; Y340-H342 PolarHBondContact O-N 3.18Å; Y340-C343 WeakPolarHBondContact O-CB 3.32Å; Y340-C343 PolarHBondContact O-N 3.02Å; Y340-C343 VanDerWaalsContact O-N 3.13Å; Y340-I344 HydrophobicContact CE1-CG1 4.19Å; Y340-I344 HydrophobicContact CE2-CD1 4.29Å; Y340-I344 HydrophobicContact CE2-CG1 4.32Å; Y340-I344 PolarHBondContact O-N 2.86Å; Y340-I344 VanDerWaalsContact O-N 3.12Å; Y340-L382 HydrophobicContact CE2-CD2 4.47Å; Y340-L382 VanDerWaalsContact CE2-O 3.32Å; Y340-L382 WeakPolarHBondContact CE2-O 3.35Å; Y340-L382 PolarHBondContact OH-O 2.82Å; Y340-E385 HydrophobicContact CD2-CB 4.12Å; Y340-E385 HydrophobicContact CD2-CG 3.71Å; Y340-E385 HydrophobicContact CE2-CB 3.8Å; Y340-E385 HydrophobicContact CE2-CG 3.92Å; Y340-G386 WeakPolarHBondContact OH-CA 3.19Å; Y340-G386 PolarHBondContact OH-N 3.32Å; Y340-I389 HydrophobicContact CD1-CD1 3.88Å; Y340-I389 HydrophobicContact CD2-CD1 4.43Å; Y340-I389 HydrophobicContact CE1-CD1 4.36Å; Y340-I389 HydrophobicContact CG-CD1 3.91Å; Y340-I411 HydrophobicContact CD1-CD1 4.22Å; Y340-I411 HydrophobicContact CD1-CG1 4.41Å; Y340-I411 HydrophobicContact CD1-CG2 3.74Å; Y340-I411 HydrophobicContact CE1-CG2 3.72Å; Y340-L440 VanDerWaalsContact OH-CD2 3.31Å; Y340-L440 WeakPolarHBondContact OH-CD2 3.03Å; Y340-M444 HydrophobicContact CE1-CE 4.46Å
341I94.4Very high87.2Confident25 Ų2535.5 Ų35.513%0.12819%0.186CC..Hα-helixtrans-53.2-54.9175.3-76.3169000110.8I337 D338 C343 I344 S345 P410 I411 H414I337-I341 HydrophobicContact CG2-CD1 3.93Å; I337-I341 WeakPolarHBondContact O-CG1 3.46Å; I337-I341 PolarHBondContact O-N 3.06Å; D338-I341 PolarHBondContact O-N 3.29Å; I341-C343 VanDerWaalsContact C-N 3.27Å; I341-C343 PolarHBondContact O-N 3.18Å; I341-I344 PolarHBondContact O-N 3.24Å; I341-I344 VanDerWaalsContact O-N 3.1Å; I341-S345 PolarHBondContact O-N 3Å; I341-P410 HydrophobicContact CD1-CB 4.11Å; I341-I411 HydrophobicContact CD1-CG1 4.44Å; I341-I411 HydrophobicContact CG1-CG1 4.39Å; I341-H414 HydrophobicContact CD1-CB 4.47Å; I341-H414 HydrophobicContact CG1-CB 4.1Å; I341-H414 HydrophobicContact CG2-CB 4.27Å; I341-H414 PolarHBondContact O-NE2 2.85Å
342H94.3Very high89.1Confident57 Ų5734.3 Ų34.326%0.26418%0.177SC..Hα-helixtrans-63-31.7178.7-69.986.9000112.9L234 F238 D338 Y340 I344 A346L234-H342 HydrophobicContact CD2-CB 4.4Å; F238-H342 HydrophobicContact CE2-CB 3.6Å; F238-H342 AromaticContact CE2-CG 3.87Å; F238-H342 HydrophobicContact CZ-CB 3.75Å; F238-H342 AromaticContact CZ-CD2 3.76Å; F238-H342 AromaticContact CZ-CE1 3.96Å; F238-H342 AromaticContact CZ-CG 3.44Å; F238-H342 VanDerWaalsContact CZ-CG 3.44Å; F238-H342 AromaticContact CZ-ND1 3.58Å; D338-H342 PolarHBondContact O-N 2.93Å; D338-H342 PolarHBondContact O-ND1 3.42Å; Y340-H342 PolarHBondContact O-N 3.18Å; H342-I344 VanDerWaalsContact C-N 3.34Å; H342-A346 WeakPolarHBondContact O-CB 3.33Å; H342-A346 PolarHBondContact O-N 3.41Å
343C96.9Very high90.8Very high3 Ų331.7 Ų31.72%0.0216%0.163CC..Hα-helixtrans-68.9-29.3176.1-75.90000113.5I231 S339 Y340 I341 F347 L382I231-C343 HydrophobicContact CG2-CB 4.16Å; S339-C343 WeakPolarHBondContact O-CB 3.34Å; S339-C343 PolarHBondContact O-N 3.38Å; S339-C343 PolarHBondContact O-SG 3.39Å; Y340-C343 WeakPolarHBondContact O-CB 3.32Å; Y340-C343 PolarHBondContact O-N 3.02Å; Y340-C343 VanDerWaalsContact O-N 3.13Å; I341-C343 VanDerWaalsContact C-N 3.27Å; I341-C343 PolarHBondContact O-N 3.18Å; C343-F347 PolarHBondContact O-N 2.99Å; C343-L382 HydrophobicContact CB-CD2 3.7Å
344I96.8Very high92.1Very high5 Ų527.5 Ų27.53%0.02614%0.141CC..Hα-helixtrans-73.3-45.5174.2-66.8-70.8000110.7Y340 I341 H342 A346 F347 V348 L382 M383 L415 T418Y340-I344 HydrophobicContact CE1-CG1 4.19Å; Y340-I344 HydrophobicContact CE2-CD1 4.29Å; Y340-I344 HydrophobicContact CE2-CG1 4.32Å; Y340-I344 PolarHBondContact O-N 2.86Å; Y340-I344 VanDerWaalsContact O-N 3.12Å; I341-I344 PolarHBondContact O-N 3.24Å; I341-I344 VanDerWaalsContact O-N 3.1Å; H342-I344 VanDerWaalsContact C-N 3.34Å; I344-A346 VanDerWaalsContact C-N 3.33Å; I344-A346 PolarHBondContact O-N 2.6Å; I344-F347 PolarHBondContact O-N 3.05Å; I344-V348 PolarHBondContact O-N 3.25Å; I344-L382 HydrophobicContact CD1-CB 4.29Å; I344-M383 HydrophobicContact CD1-CE 4.07Å; I344-L415 HydrophobicContact CB-CD2 4.32Å; I344-L415 HydrophobicContact CD1-CD2 4.18Å; I344-L415 HydrophobicContact CG1-CD2 3.83Å; I344-L415 HydrophobicContact CG2-CD2 3.88Å; I344-T418 HydrophobicContact CG2-CG2 4.2Å
345S95.8Very high93.3Very high18 Ų1825.8 Ų25.813%0.12613%0.128CC..Hα-helixtrans-57.1-47172.3-62.50000111.7I341 F347 V348 K349 H414I341-S345 PolarHBondContact O-N 3Å; S345-F347 VanDerWaalsContact C-N 3.34Å; S345-F347 PolarHBondContact O-N 3.26Å; S345-V348 PolarHBondContact O-N 3.28Å; S345-K349 PolarHBondContact O-N 3.34Å; S345-K349 VanDerWaalsContact O-N 3.11Å; S345-H414 PolarHBondContact OG-CE1 3.3Å; S345-H414 PolarHBondContact OG-NE2 2.96Å
346A96.3Very high94.4Very high0 Ų027.6 Ų27.60%014%0.141CC..Hα-helixtrans-58.4-42.417700000112.6I170 I174 L234 H342 I344 V348 L350I170-A346 HydrophobicContact CG2-CB 3.43Å; I170-A346 VanDerWaalsContact CG2-CB 3.43Å; I174-A346 HydrophobicContact CD1-CB 4.14Å; L234-A346 HydrophobicContact CD2-CB 3.58Å; H342-A346 WeakPolarHBondContact O-CB 3.33Å; H342-A346 PolarHBondContact O-N 3.41Å; I344-A346 VanDerWaalsContact C-N 3.33Å; I344-A346 PolarHBondContact O-N 2.6Å; A346-V348 VanDerWaalsContact C-N 3.34Å; A346-V348 PolarHBondContact O-N 2.83Å; A346-L350 HydrophobicContact CB-CD1 4.47Å; A346-L350 WeakPolarHBondContact O-CB 3.41Å; A346-L350 WeakPolarHBondContact O-CD1 3.35Å; A346-L350 WeakPolarHBondContact O-CG 3.47Å; A346-L350 PolarHBondContact O-N 3.27Å
347F98Very high95Very high3 Ų324.4 Ų24.41%0.01313%0.126CC..Hα-helixtrans-60-43.4176.7172.2-92.5000111.9I231 C343 I344 S345 A351 I375 A378 L379 L382 F422I231-F347 HydrophobicContact CD1-CB 4.15Å; I231-F347 HydrophobicContact CD1-CD2 4.02Å; C343-F347 PolarHBondContact O-N 2.99Å; I344-F347 PolarHBondContact O-N 3.05Å; S345-F347 VanDerWaalsContact C-N 3.34Å; S345-F347 PolarHBondContact O-N 3.26Å; F347-A351 HydrophobicContact CE1-CB 4.43Å; F347-A351 HydrophobicContact CZ-CB 4.34Å; F347-A351 WeakPolarHBondContact O-CB 3.49Å; F347-A351 PolarHBondContact O-N 3.13Å; F347-I375 HydrophobicContact CE2-CB 4.23Å; F347-I375 HydrophobicContact CZ-CB 4.18Å; F347-I375 HydrophobicContact CZ-CD1 4.49Å; F347-A378 HydrophobicContact CD2-CB 4.3Å; F347-A378 HydrophobicContact CE2-CB 4.3Å; F347-L379 HydrophobicContact CD1-CD1 4.5Å; F347-L379 HydrophobicContact CE1-CD1 3.98Å; F347-L379 HydrophobicContact CE2-CB 3.78Å; F347-L379 HydrophobicContact CE2-CD1 4.36Å; F347-L379 HydrophobicContact CZ-CB 3.83Å; F347-L379 HydrophobicContact CZ-CD1 3.91Å; F347-L379 HydrophobicContact CZ-CD2 4.23Å; F347-L379 HydrophobicContact CZ-CG 4.19Å; F347-L382 HydrophobicContact CB-CD1 3.49Å; F347-L382 VanDerWaalsContact CB-CD1 3.49Å; F347-L382 HydrophobicContact CD2-CD1 3.91Å; F347-L382 HydrophobicContact CG-CD1 3.83Å; F347-F422 HydrophobicContact CD1-CD2 4.29Å; F347-F422 HydrophobicContact CD1-CE2 4.12Å; F347-F422 HydrophobicContact CE1-CD2 4.11Å; F347-F422 AromaticContact CE1-CE2 3.71Å; F347-F422 HydrophobicContact CE1-CE2 3.71Å
348V96.6Very high95.6Very high6 Ų623.7 Ų23.74%0.03612%0.123CC..Hα-helixtrans-63.8-53.8179.2174.60000110.8I344 S345 A346 L350 A351 Q352 T418 D421 F422I344-V348 PolarHBondContact O-N 3.25Å; S345-V348 PolarHBondContact O-N 3.28Å; A346-V348 VanDerWaalsContact C-N 3.34Å; A346-V348 PolarHBondContact O-N 2.83Å; V348-L350 PolarHBondContact O-N 3Å; V348-A351 PolarHBondContact O-N 3.45Å; V348-Q352 VanDerWaalsContact O-CG 3.27Å; V348-Q352 WeakPolarHBondContact O-CG 3.33Å; V348-Q352 PolarHBondContact O-N 3.02Å; V348-T418 HydrophobicContact CG2-CG2 3.82Å; V348-D421 HydrophobicContact CG1-CB 3.96Å; V348-F422 HydrophobicContact CG2-CB 4.19Å; V348-F422 HydrophobicContact CG2-CD2 4.18Å
349K95.3Very high96Very high44 Ų4422.1 Ų22.119%0.19112%0.117CC..Hα-helixtrans-60.8-41.9179.5-69.3-70.9-176.7179.80112.7A173 I174 D177 S345 S353A173-K349 WeakPolarHBondContact O-CD 3.18Å; A173-K349 WeakPolarHBondContact O-CE 3.49Å; I174-K349 HydrophobicContact CG1-CG 4.34Å; D177-K349 IonicContact OD1-NZ 2.67Å; D177-K349 PolarHBondContact OD1-NZ 2.99Å; D177-K349 WeakPolarHBondContact OD2-CE 3.5Å; D177-K349 IonicContact OD2-NZ 3.67Å; D177-K349 PolarHBondContact OD2-NZ 3.21Å; S345-K349 PolarHBondContact O-N 3.34Å; S345-K349 VanDerWaalsContact O-N 3.11Å; K349-S353 WeakPolarHBondContact O-CB 3.35Å; K349-S353 PolarHBondContact O-N 3.25Å; K349-S353 VanDerWaalsContact O-N 3.11Å
350L96.9Very high96.2Very high2 Ų226.6 Ų26.61%0.0114%0.137CC..Hα-helixtrans-69-39.1176.8-69.2168.1000112.3V165 I170 L188 L227 I231 A346 V348 S353 E354V165-L350 HydrophobicContact CB-CD2 4.05Å; V165-L350 HydrophobicContact CG1-CD2 4.45Å; V165-L350 HydrophobicContact CG2-CD2 3.66Å; I170-L350 HydrophobicContact CD1-CD1 4.15Å; I170-L350 HydrophobicContact CG1-CD1 4.48Å; I170-L350 HydrophobicContact CG1-CD2 4.43Å; L188-L350 HydrophobicContact CD1-CD2 3.79Å; L227-L350 HydrophobicContact CD1-CB 3.43Å; L227-L350 VanDerWaalsContact CD1-CB 3.43Å; L227-L350 HydrophobicContact CD1-CD1 4.13Å; L227-L350 HydrophobicContact CD1-CG 4.38Å; I231-L350 HydrophobicContact CD1-CD1 4.47Å; I231-L350 HydrophobicContact CG1-CD1 3.87Å; A346-L350 HydrophobicContact CB-CD1 4.47Å; A346-L350 WeakPolarHBondContact O-CB 3.41Å; A346-L350 WeakPolarHBondContact O-CD1 3.35Å; A346-L350 WeakPolarHBondContact O-CG 3.47Å; A346-L350 PolarHBondContact O-N 3.27Å; V348-L350 PolarHBondContact O-N 3Å; L350-S353 PolarHBondContact O-N 3.2Å; L350-E354 WeakPolarHBondContact O-CB 3.14Å; L350-E354 VanDerWaalsContact O-CG 3.32Å; L350-E354 WeakPolarHBondContact O-CG 3.38Å; L350-E354 PolarHBondContact O-N 3.41Å
351A97.4Very high96.3Very high0 Ų026.5 Ų26.50%014%0.137CC..Hα-helixtrans-69.6-35.7177.700000112.4F347 V348 Y355 F371 I375 T425F347-A351 HydrophobicContact CE1-CB 4.43Å; F347-A351 HydrophobicContact CZ-CB 4.34Å; F347-A351 WeakPolarHBondContact O-CB 3.49Å; F347-A351 PolarHBondContact O-N 3.13Å; V348-A351 PolarHBondContact O-N 3.45Å; A351-Y355 WeakPolarHBondContact O-CB 3.26Å; A351-Y355 PolarHBondContact O-N 3.39Å; A351-F371 HydrophobicContact CB-CE2 4.43Å; A351-F371 HydrophobicContact CB-CZ 4.17Å; A351-F371 VanDerWaalsContact O-CE2 3.27Å; A351-F371 WeakPolarHBondContact O-CE2 3.42Å; A351-I375 HydrophobicContact CB-CG2 4.31Å; A351-T425 HydrophobicContact CB-CG2 3.87Å
352Q95.9Very high96.4Very high64 Ų6425.5 Ų25.530%0.29913%0.132SC..Hα-helixtrans-58.3-49.3169.3-72.2168.1-10.800110.7V348 Y355 V356 T425V348-Q352 VanDerWaalsContact O-CG 3.27Å; V348-Q352 WeakPolarHBondContact O-CG 3.33Å; V348-Q352 PolarHBondContact O-N 3.02Å; Q352-Y355 WeakPolarHBondContact O-CB 3.35Å; Q352-Y355 PolarHBondContact O-N 2.79Å; Q352-Y355 VanDerWaalsContact O-N 3.16Å; Q352-V356 PolarHBondContact O-N 3.49Å; Q352-V356 VanDerWaalsContact O-N 3.08Å; Q352-T425 HydrophobicContact CG-CG2 3.66Å; Q352-T425 VanDerWaalsContact CG-OG1 3.23Å; Q352-T425 WeakPolarHBondContact CG-OG1 3.21Å; Q352-T425 PolarHBondContact NE2-OG1 3.39Å
353S95.7Very high96.3Very high23 Ų2324.7 Ų24.716%0.16113%0.132CC..Hα-helixtrans-68.6-38.8-178.5-174.50000113.6H190 K349 L350 Y355 V356 L357H190-S353 PolarHBondContact CD2-OG 3.41Å; H190-S353 PolarHBondContact NE2-OG 2.91Å; K349-S353 WeakPolarHBondContact O-CB 3.35Å; K349-S353 PolarHBondContact O-N 3.25Å; K349-S353 VanDerWaalsContact O-N 3.11Å; L350-S353 PolarHBondContact O-N 3.2Å; S353-Y355 VanDerWaalsContact C-N 3.28Å; S353-Y355 PolarHBondContact O-N 2.97Å; S353-V356 PolarHBondContact O-N 3.43Å; S353-L357 PolarHBondContact O-N 3.04Å
354E96.9Very high96.1Very high3 Ų331.8 Ų31.81%0.01417%0.165CC..Hα-helixtrans-63.7-32.6170-72.8-79.3-179.200112R223 L350 L358 L374R223-E354 IonicContact CZ-OE1 2.79Å; R223-E354 IonicContact CZ-OE2 2.96Å; R223-E354 IonicContact NE-OE1 3.38Å; R223-E354 PolarHBondContact NE-OE1 3.25Å; R223-E354 IonicContact NE-OE2 3.17Å; R223-E354 PolarHBondContact NE-OE2 3.11Å; R223-E354 VanDerWaalsContact NH2-CD 3.3Å; R223-E354 IonicContact NH2-OE1 3.54Å; R223-E354 PolarHBondContact NH2-OE1 2.71Å; R223-E354 IonicContact NH2-OE2 3.65Å; R223-E354 PolarHBondContact NH2-OE2 2.67Å; L350-E354 WeakPolarHBondContact O-CB 3.14Å; L350-E354 VanDerWaalsContact O-CG 3.32Å; L350-E354 WeakPolarHBondContact O-CG 3.38Å; L350-E354 PolarHBondContact O-N 3.41Å; E354-L358 WeakPolarHBondContact O-CB 3.29Å; E354-L358 PolarHBondContact O-N 3.13Å; E354-L374 HydrophobicContact CB-CD2 4.05Å; E354-L374 HydrophobicContact CG-CD2 4.09Å
355Y96.9Very high95.9Very high53 Ų5339.9 Ų39.921%0.20820%0.202CC..Hα-helixtrans-67.2-44.5175.1-172.2-101.2000111.6A351 Q352 S353 L358 T359 K368 F371A351-Y355 WeakPolarHBondContact O-CB 3.26Å; A351-Y355 PolarHBondContact O-N 3.39Å; Q352-Y355 WeakPolarHBondContact O-CB 3.35Å; Q352-Y355 PolarHBondContact O-N 2.79Å; Q352-Y355 VanDerWaalsContact O-N 3.16Å; S353-Y355 VanDerWaalsContact C-N 3.28Å; S353-Y355 PolarHBondContact O-N 2.97Å; Y355-L358 HydrophobicContact CD2-CD2 4.08Å; Y355-L358 HydrophobicContact CE2-CD2 4.06Å; Y355-L358 WeakPolarHBondContact O-CB 3.25Å; Y355-L358 PolarHBondContact O-N 3.27Å; Y355-T359 HydrophobicContact CD1-CG2 4Å; Y355-T359 HydrophobicContact CE1-CG2 3.49Å; Y355-T359 VanDerWaalsContact CE1-CG2 3.49Å; Y355-T359 HydrophobicContact CE2-CG2 4.35Å; Y355-T359 WeakPolarHBondContact O-CG2 3.45Å; Y355-T359 PolarHBondContact O-N 2.88Å; Y355-K368 HydrophobicContact CE2-CD 4.06Å; Y355-K368 VanDerWaalsContact CZ-NZ 3.34Å; Y355-K368 WeakPolarHBondContact OH-CE 3.47Å; Y355-K368 PolarHBondContact OH-NZ 3Å; Y355-F371 HydrophobicContact CD2-CB 4.03Å; Y355-F371 AromaticContact CD2-CD1 3.77Å; Y355-F371 HydrophobicContact CD2-CD1 3.77Å; Y355-F371 AromaticContact CD2-CD2 3.8Å; Y355-F371 HydrophobicContact CD2-CD2 3.8Å; Y355-F371 HydrophobicContact CD2-CE1 4.11Å; Y355-F371 HydrophobicContact CD2-CE2 4.14Å; Y355-F371 AromaticContact CD2-CG 3.59Å; Y355-F371 HydrophobicContact CD2-CG 3.59Å; Y355-F371 HydrophobicContact CD2-CZ 4.28Å; Y355-F371 HydrophobicContact CE2-CB 4.33Å; Y355-F371 HydrophobicContact CE2-CD1 4.3Å; Y355-F371 HydrophobicContact CE2-CG 4.26Å; Y355-F371 HydrophobicContact CG-CD2 4.48Å; Y355-F371 HydrophobicContact CG-CE2 4.44Å
356V95.5Very high95.8Very high87 Ų8741.3 Ų41.353%0.52721%0.206SC..Hα-helixtrans-55.6-55.7175.6174.50000110.5Q352 S353 L358 T359Q352-V356 PolarHBondContact O-N 3.49Å; Q352-V356 VanDerWaalsContact O-N 3.08Å; S353-V356 PolarHBondContact O-N 3.43Å; V356-L358 VanDerWaalsContact C-N 3.26Å; V356-L358 PolarHBondContact O-N 3.03Å; V356-T359 PolarHBondContact O-N 3.34Å; V356-T359 PolarHBondContact O-OG1 2.82Å
357L96.4Very high95.7Very high11 Ų1142.5 Ų42.56%0.05821%0.212CC..Hα-helixtrans-55.6-40.7177.3-176.172.2000112.6H190 L191 L196 S353 T359 E360 I361H190-L357 HydrophobicContact CB-CD1 4.42Å; H190-L357 HydrophobicContact CB-CD2 3.65Å; L191-L357 HydrophobicContact CD1-CD1 4.27Å; L191-L357 HydrophobicContact CD1-CD2 4.49Å; L196-L357 HydrophobicContact CD1-CD1 3.82Å; S353-L357 PolarHBondContact O-N 3.04Å; L357-T359 VanDerWaalsContact C-N 3.32Å; L357-T359 PolarHBondContact O-N 3.32Å; L357-E360 PolarHBondContact O-N 3.38Å; L357-I361 HydrophobicContact CD1-CD1 4.06Å; L357-I361 HydrophobicContact CG-CD1 3.99Å; L357-I361 PolarHBondContact O-N 3.31Å
358L97.1Very high95.6Very high0 Ų045.9 Ų45.90%023%0.227CC..Hα-helixtrans-66-32177.7170151.6000112.4Y219 E354 Y355 V356 E360 I361 I362 Q367 T370 F371 L374Y219-L358 HydrophobicContact CE1-CB 4.08Å; Y219-L358 HydrophobicContact CE1-CD1 4.12Å; Y219-L358 HydrophobicContact CE1-CG 4.28Å; Y219-L358 PolarHBondContact OH-N 2.81Å; E354-L358 WeakPolarHBondContact O-CB 3.29Å; E354-L358 PolarHBondContact O-N 3.13Å; Y355-L358 HydrophobicContact CD2-CD2 4.08Å; Y355-L358 HydrophobicContact CE2-CD2 4.06Å; Y355-L358 WeakPolarHBondContact O-CB 3.25Å; Y355-L358 PolarHBondContact O-N 3.27Å; V356-L358 VanDerWaalsContact C-N 3.26Å; V356-L358 PolarHBondContact O-N 3.03Å; L358-E360 VanDerWaalsContact C-N 3.3Å; L358-E360 PolarHBondContact O-N 3.32Å; L358-I361 PolarHBondContact O-N 3.27Å; L358-I362 HydrophobicContact CG-CB 4.29Å; L358-I362 HydrophobicContact CG-CG1 4.02Å; L358-I362 VanDerWaalsContact O-CB 3.28Å; L358-I362 WeakPolarHBondContact O-CB 3.1Å; L358-I362 PolarHBondContact O-N 3.21Å; L358-Q367 HydrophobicContact CD2-CB 3.69Å; L358-Q367 HydrophobicContact CD2-CG 3.85Å; L358-T370 HydrophobicContact CD1-CG2 3.9Å; L358-F371 HydrophobicContact CD1-CB 3.74Å; L358-F371 HydrophobicContact CD1-CD2 4.39Å; L358-F371 HydrophobicContact CD2-CB 4.27Å; L358-L374 HydrophobicContact CD1-CD1 4.1Å
359T96.3Very high95.5Very high53 Ų5353 Ų5333%0.32526%0.257SS..Hα-helixtrans-69.4-26.717957.50000113.7Y355 V356 L357 Q367Y355-T359 HydrophobicContact CD1-CG2 4Å; Y355-T359 HydrophobicContact CE1-CG2 3.49Å; Y355-T359 VanDerWaalsContact CE1-CG2 3.49Å; Y355-T359 HydrophobicContact CE2-CG2 4.35Å; Y355-T359 WeakPolarHBondContact O-CG2 3.45Å; Y355-T359 PolarHBondContact O-N 2.88Å; V356-T359 PolarHBondContact O-N 3.34Å; V356-T359 PolarHBondContact O-OG1 2.82Å; L357-T359 VanDerWaalsContact C-N 3.32Å; L357-T359 PolarHBondContact O-N 3.32Å; T359-Q367 PolarHBondContact O-NE2 2.92Å; T359-Q367 VanDerWaalsContact O-NE2 3.12Å
360E95.9Very high95.6Very high97 Ų9751.3 Ų51.345%0.45325%0.25SS..Hα-helixtrans-78.7-35.8177.2-59.4176.6139.300112.1I200 L357 L358I200-E360 HydrophobicContact CD1-CB 4.06Å; L357-E360 PolarHBondContact O-N 3.38Å; L358-E360 VanDerWaalsContact C-N 3.3Å; L358-E360 PolarHBondContact O-N 3.32Å
361I96.4Very high95.7Very high2 Ų251.2 Ų51.21%0.0125%0.25CC..Hα-helixtrans-94-30.8-171.7-60.7166.8000112.6F154 L191 L196 I199 I200 S203 Y219 L357 L358F154-I361 HydrophobicContact CE2-CG2 4.14Å; F154-I361 HydrophobicContact CZ-CG2 4.26Å; L191-I361 HydrophobicContact CD1-CD1 4.49Å; L196-I361 HydrophobicContact CD1-CD1 3.82Å; L196-I361 HydrophobicContact CD1-CG1 3.96Å; I199-I361 HydrophobicContact CG2-CD1 3.82Å; I199-I361 HydrophobicContact CG2-CG1 3.97Å; I199-I361 HydrophobicContact CG2-CG2 3.77Å; I200-I361 HydrophobicContact CG1-CG1 4.06Å; S203-I361 VanDerWaalsContact CB-O 3.27Å; S203-I361 WeakPolarHBondContact CB-O 3.4Å; S203-I361 PolarHBondContact OG-O 2.61Å; Y219-I361 HydrophobicContact CD2-CG2 4.13Å; Y219-I361 HydrophobicContact CE2-CB 4.37Å; Y219-I361 HydrophobicContact CE2-CD1 3.63Å; Y219-I361 HydrophobicContact CE2-CG2 4.13Å; L357-I361 HydrophobicContact CD1-CD1 4.06Å; L357-I361 HydrophobicContact CG-CD1 3.99Å; L357-I361 PolarHBondContact O-N 3.31Å; L358-I361 PolarHBondContact O-N 3.27Å
362I96.3Very high95.7Very high4 Ų452.7 Ų52.72%0.02126%0.258CS..SBendtrans-111.2131.5-170.9-54.4-63.5000110.8F215 M216 Y219 L358 H366 Q367 T370F215-I362 HydrophobicContact CE2-CD1 4.22Å; M216-I362 HydrophobicContact CB-CD1 4.38Å; M216-I362 HydrophobicContact CG-CD1 4.13Å; M216-I362 HydrophobicContact SD-CG2 4.26Å; Y219-I362 HydrophobicContact CD1-CD1 4.03Å; Y219-I362 HydrophobicContact CD1-CG1 4.14Å; Y219-I362 HydrophobicContact CE1-CG1 4.27Å; Y219-I362 HydrophobicContact CG-CD1 4.09Å; L358-I362 HydrophobicContact CG-CB 4.29Å; L358-I362 HydrophobicContact CG-CG1 4.02Å; L358-I362 VanDerWaalsContact O-CB 3.28Å; L358-I362 WeakPolarHBondContact O-CB 3.1Å; L358-I362 PolarHBondContact O-N 3.21Å; I362-H366 HydrophobicContact CG2-CB 3.91Å; I362-Q367 HydrophobicContact CB-CG 4.24Å; I362-Q367 HydrophobicContact CG2-CG 4.25Å; I362-Q367 WeakPolarHBondContact O-CG 3.42Å; I362-Q367 PolarHBondContact O-NE2 2.81Å; I362-T370 HydrophobicContact CD1-CG2 4.34Å; I362-T370 HydrophobicContact CG1-CG2 4.18Å; I362-T370 HydrophobicContact CG2-CG2 4.46Å
363P93.4Very high95.8Very high41 Ų4151.2 Ų51.227%0.26626%0.255SS..  trans-59.8142.1177.7-23.932.9000113.7V207 M216 H365 H366 Q367V207-P363 HydrophobicContact CB-CG 4.28Å; V207-P363 HydrophobicContact CG1-CG 3.92Å; V207-P363 HydrophobicContact CG2-CG 3.41Å; V207-P363 VanDerWaalsContact CG2-CG 3.41Å; M216-P363 HydrophobicContact CE-CG 4.21Å; P363-H365 VanDerWaalsContact C-N 3.33Å; P363-H365 PolarHBondContact O-N 3.21Å; P363-H365 VanDerWaalsContact O-N 3.12Å; P363-H366 WeakPolarHBondContact O-CA 3.44Å; P363-H366 PolarHBondContact O-N 3.1Å; P363-Q367 PolarHBondContact O-N 3.12Å; P363-Q367 VanDerWaalsContact O-N 3.16Å
364E92.9Very high95.9Very high152 Ų15250.1 Ų50.171%0.7125%0.247SC*.Hα-helixtrans-43.2-50.8-173.3-167.4-175.6169.100114.2H366 Q367E364-H366 PolarHBondContact O-N 2.98Å; E364-Q367 PolarHBondContact O-N 3.43Å
365H91.7Very high96Very high175 Ų17550 Ų5081%0.8125%0.246SC*.Hα-helixtrans-58.4-21.9179.8-61.4-41.2000114.7P363P363-H365 VanDerWaalsContact C-N 3.33Å; P363-H365 PolarHBondContact O-N 3.21Å; P363-H365 VanDerWaalsContact O-N 3.12Å
366H93.3Very high96.1Very high48 Ų4849.8 Ų49.822%0.22225%0.247CC..Hα-helixtrans-105.2-21.8-178.5-65.2-80.3000113.2Q213 M216 I362 P363 E364 K368 K369 T370Q213-H366 VanDerWaalsContact CD-CE1 3.42Å; Q213-H366 PolarHBondContact NE2-CE1 3.21Å; Q213-H366 PolarHBondContact NE2-NE2 2.91Å; Q213-H366 PolarHBondContact OE1-CE1 3.05Å; Q213-H366 PolarHBondContact OE1-ND1 3.45Å; M216-H366 HydrophobicContact CE-CB 4.2Å; M216-H366 HydrophobicContact SD-CB 3.6Å; M216-H366 VanDerWaalsContact SD-CB 3.6Å; I362-H366 HydrophobicContact CG2-CB 3.91Å; P363-H366 WeakPolarHBondContact O-CA 3.44Å; P363-H366 PolarHBondContact O-N 3.1Å; E364-H366 PolarHBondContact O-N 2.98Å; H366-K368 PolarHBondContact O-N 3.39Å; H366-K369 PolarHBondContact O-N 3.05Å; H366-T370 PolarHBondContact O-N 2.89Å; H366-T370 PolarHBondContact O-OG1 3.06Å
367Q95.5Very high96.2Very high25 Ų2549.4 Ų49.412%0.11724%0.24CC..Hα-helixtrans-47.9-54-173.7-74.1172.30.700113L358 T359 I362 P363 E364 K369 T370 F371L358-Q367 HydrophobicContact CD2-CB 3.69Å; L358-Q367 HydrophobicContact CD2-CG 3.85Å; T359-Q367 PolarHBondContact O-NE2 2.92Å; T359-Q367 VanDerWaalsContact O-NE2 3.12Å; I362-Q367 HydrophobicContact CB-CG 4.24Å; I362-Q367 HydrophobicContact CG2-CG 4.25Å; I362-Q367 WeakPolarHBondContact O-CG 3.42Å; I362-Q367 PolarHBondContact O-NE2 2.81Å; P363-Q367 PolarHBondContact O-N 3.12Å; P363-Q367 VanDerWaalsContact O-N 3.16Å; E364-Q367 PolarHBondContact O-N 3.43Å; Q367-K369 VanDerWaalsContact C-N 3.32Å; Q367-K369 PolarHBondContact O-N 3.29Å; Q367-T370 PolarHBondContact O-N 3.14Å; Q367-F371 VanDerWaalsContact O-CB 3.24Å; Q367-F371 WeakPolarHBondContact O-CB 3.32Å; Q367-F371 PolarHBondContact O-N 2.77Å
368K95.4Very high96.3Very high74 Ų7448.9 Ų48.932%0.32224%0.237SC..Hα-helixtrans-63.5-33.4-176.9-63.5-58-173-179.50113.7Y355 H366 D372 Q427Y355-K368 HydrophobicContact CE2-CD 4.06Å; Y355-K368 VanDerWaalsContact CZ-NZ 3.34Å; Y355-K368 WeakPolarHBondContact OH-CE 3.47Å; Y355-K368 PolarHBondContact OH-NZ 3Å; H366-K368 PolarHBondContact O-N 3.39Å; K368-D372 VanDerWaalsContact O-CB 3.25Å; K368-D372 WeakPolarHBondContact O-CB 3.46Å; K368-D372 PolarHBondContact O-N 3.04Å; K368-Q427 WeakPolarHBondContact CE-O 3.1Å; K368-Q427 PolarHBondContact NZ-O 3.12Å
369K95.4Very high96.3Very high155 Ų15549 Ų4967%0.67424%0.238SC*.Hα-helixtrans-76.3-42.9177-177.4-174.1174.4-169.20111.8H366 Q367 F371 S373H366-K369 PolarHBondContact O-N 3.05Å; Q367-K369 VanDerWaalsContact C-N 3.32Å; Q367-K369 PolarHBondContact O-N 3.29Å; K369-F371 VanDerWaalsContact C-N 3.32Å; K369-S373 PolarHBondContact O-N 3.41Å; K369-S373 PolarHBondContact O-OG 2.88Å
370T96.8Very high96.4Very high8 Ų849.9 Ų49.95%0.04924%0.241CC..Hα-helixtrans-64.5-39.9176.7-57.80000110.5Y219 F220 L358 I362 H366 Q367 S373 L374Y219-T370 HydrophobicContact CD1-CG2 4.09Å; F220-T370 HydrophobicContact CB-CG2 4.01Å; F220-T370 HydrophobicContact CD1-CG2 4.27Å; L358-T370 HydrophobicContact CD1-CG2 3.9Å; I362-T370 HydrophobicContact CD1-CG2 4.34Å; I362-T370 HydrophobicContact CG1-CG2 4.18Å; I362-T370 HydrophobicContact CG2-CG2 4.46Å; H366-T370 PolarHBondContact O-N 2.89Å; H366-T370 PolarHBondContact O-OG1 3.06Å; Q367-T370 PolarHBondContact O-N 3.14Å; T370-S373 PolarHBondContact O-N 3.2Å; T370-L374 WeakPolarHBondContact O-CB 3.45Å; T370-L374 PolarHBondContact O-N 3.28Å
371F98.3Very high96.5Very high0 Ų048.1 Ų48.10%023%0.234CC..Hα-helixtrans-67.4-48175.7-179-118.6000112.6A351 Y355 L358 Q367 K369 S373 L374 I375 T425 L426 T429A351-F371 HydrophobicContact CB-CE2 4.43Å; A351-F371 HydrophobicContact CB-CZ 4.17Å; A351-F371 VanDerWaalsContact O-CE2 3.27Å; A351-F371 WeakPolarHBondContact O-CE2 3.42Å; Y355-F371 HydrophobicContact CD2-CB 4.03Å; Y355-F371 AromaticContact CD2-CD1 3.77Å; Y355-F371 HydrophobicContact CD2-CD1 3.77Å; Y355-F371 AromaticContact CD2-CD2 3.8Å; Y355-F371 HydrophobicContact CD2-CD2 3.8Å; Y355-F371 HydrophobicContact CD2-CE1 4.11Å; Y355-F371 HydrophobicContact CD2-CE2 4.14Å; Y355-F371 AromaticContact CD2-CG 3.59Å; Y355-F371 HydrophobicContact CD2-CG 3.59Å; Y355-F371 HydrophobicContact CD2-CZ 4.28Å; Y355-F371 HydrophobicContact CE2-CB 4.33Å; Y355-F371 HydrophobicContact CE2-CD1 4.3Å; Y355-F371 HydrophobicContact CE2-CG 4.26Å; Y355-F371 HydrophobicContact CG-CD2 4.48Å; Y355-F371 HydrophobicContact CG-CE2 4.44Å; L358-F371 HydrophobicContact CD1-CB 3.74Å; L358-F371 HydrophobicContact CD1-CD2 4.39Å; L358-F371 HydrophobicContact CD2-CB 4.27Å; Q367-F371 VanDerWaalsContact O-CB 3.24Å; Q367-F371 WeakPolarHBondContact O-CB 3.32Å; Q367-F371 PolarHBondContact O-N 2.77Å; K369-F371 VanDerWaalsContact C-N 3.32Å; F371-S373 PolarHBondContact O-N 3.02Å; F371-L374 WeakPolarHBondContact O-CB 3.34Å; F371-L374 PolarHBondContact O-N 2.71Å; F371-I375 HydrophobicContact CD2-CG2 4.08Å; F371-I375 HydrophobicContact CE1-CD1 4.28Å; F371-I375 HydrophobicContact CE2-CG2 3.64Å; F371-I375 HydrophobicContact CZ-CD1 4.47Å; F371-I375 HydrophobicContact CZ-CG2 3.96Å; F371-I375 WeakPolarHBondContact O-CG1 3.31Å; F371-I375 PolarHBondContact O-N 2.74Å; F371-T425 WeakPolarHBondContact CE1-O 3.35Å; F371-T425 HydrophobicContact CZ-CG2 4.35Å; F371-L426 HydrophobicContact CE1-CD2 4.29Å; F371-T429 HydrophobicContact CD1-CG2 3.67Å; F371-T429 HydrophobicContact CE1-CG2 3.94Å
372D98.1Very high96.5Very high31 Ų3148.5 Ų48.517%0.16624%0.236CC..Hα-helixtrans-53.7-38173.9-176.966000111.1K368 Q376 T429 A430 T433K368-D372 VanDerWaalsContact O-CB 3.25Å; K368-D372 WeakPolarHBondContact O-CB 3.46Å; K368-D372 PolarHBondContact O-N 3.04Å; D372-Q376 VanDerWaalsContact O-CG 3.29Å; D372-Q376 WeakPolarHBondContact O-CG 2.92Å; D372-Q376 PolarHBondContact O-NE2 2.82Å; D372-T429 HydrophobicContact CB-CG2 4.18Å; D372-T429 WeakPolarHBondContact OD1-CB 3.3Å; D372-A430 PolarHBondContact OD1-N 3.42Å; D372-T433 VanDerWaalsContact OD1-CB 3.29Å; D372-T433 WeakPolarHBondContact OD1-CB 3.44Å; D372-T433 PolarHBondContact OD1-OG1 2.86Å
373S97.9Very high96.6Very high34 Ų3448.9 Ų48.924%0.23824%0.238CC..Hα-helixtrans-73.8-37.5175.9-52.10000113.6K369 T370 F371 I375K369-S373 PolarHBondContact O-N 3.41Å; K369-S373 PolarHBondContact O-OG 2.88Å; T370-S373 PolarHBondContact O-N 3.2Å; F371-S373 PolarHBondContact O-N 3.02Å; S373-I375 VanDerWaalsContact C-N 3.34Å; S373-I375 PolarHBondContact O-N 3.21Å
374L98.4Very high96.8Very high0 Ų051.6 Ų51.60%025%0.25CS..Hα-helixtrans-61.5-39.1-179.1-169.7158000112.3Y219 F220 R223 S224 L227 E354 L358 T370 F371Y219-L374 HydrophobicContact CE1-CD1 3.9Å; F220-L374 HydrophobicContact CB-CB 3.91Å; F220-L374 HydrophobicContact CB-CG 4.38Å; R223-L374 HydrophobicContact CB-CD1 3.61Å; R223-L374 HydrophobicContact CB-CD2 4.29Å; R223-L374 HydrophobicContact CB-CG 3.86Å; R223-L374 HydrophobicContact CG-CD1 4.23Å; S224-L374 WeakPolarHBondContact CA-O 3.14Å; S224-L374 WeakPolarHBondContact CB-O 3.49Å; S224-L374 PolarHBondContact OG-O 2.76Å; L227-L374 HydrophobicContact CD2-CD2 3.87Å; E354-L374 HydrophobicContact CB-CD2 4.05Å; E354-L374 HydrophobicContact CG-CD2 4.09Å; L358-L374 HydrophobicContact CD1-CD1 4.1Å; T370-L374 WeakPolarHBondContact O-CB 3.45Å; T370-L374 PolarHBondContact O-N 3.28Å; F371-L374 WeakPolarHBondContact O-CB 3.34Å; F371-L374 PolarHBondContact O-N 2.71Å
375I98.4Very high96.8Very high0 Ų047 Ų470%023%0.229CC..THydrogen-bonded Turntrans-89-11.6-171.764.7177.4000114.9L227 F347 A351 F371 S373 E377 L379 L426 T429 T433L227-I375 HydrophobicContact CD2-CB 4.49Å; L227-I375 HydrophobicContact CD2-CG2 4.12Å; F347-I375 HydrophobicContact CE2-CB 4.23Å; F347-I375 HydrophobicContact CZ-CB 4.18Å; F347-I375 HydrophobicContact CZ-CD1 4.49Å; A351-I375 HydrophobicContact CB-CG2 4.31Å; F371-I375 HydrophobicContact CD2-CG2 4.08Å; F371-I375 HydrophobicContact CE1-CD1 4.28Å; F371-I375 HydrophobicContact CE2-CG2 3.64Å; F371-I375 HydrophobicContact CZ-CD1 4.47Å; F371-I375 HydrophobicContact CZ-CG2 3.96Å; F371-I375 WeakPolarHBondContact O-CG1 3.31Å; F371-I375 PolarHBondContact O-N 2.74Å; S373-I375 VanDerWaalsContact C-N 3.34Å; S373-I375 PolarHBondContact O-N 3.21Å; I375-E377 PolarHBondContact O-N 3.03Å; I375-L379 VanDerWaalsContact O-CB 3.26Å; I375-L379 WeakPolarHBondContact O-CB 3.29Å; I375-L379 PolarHBondContact O-N 3Å; I375-L426 HydrophobicContact CD1-CD2 3.3Å; I375-T429 HydrophobicContact CD1-CG2 4.3Å; I375-T433 HydrophobicContact CD1-CG2 3.86Å; I375-T433 HydrophobicContact CG1-CG2 4.36Å
376Q98Very high97Very high48 Ų4838.7 Ų38.722%0.22419%0.19CC..Hα-helixtrans-58-52-170.5-66.9-56.3-57.300112.5D372 A378 L379 D380 T433D372-Q376 VanDerWaalsContact O-CG 3.29Å; D372-Q376 WeakPolarHBondContact O-CG 2.92Å; D372-Q376 PolarHBondContact O-NE2 2.82Å; Q376-A378 PolarHBondContact O-N 2.7Å; Q376-L379 PolarHBondContact O-N 3.41Å; Q376-D380 WeakPolarHBondContact O-CB 3.44Å; Q376-D380 PolarHBondContact O-N 3.2Å; Q376-T433 PolarHBondContact NE2-OG1 3.34Å
377E97.9Very high97.1Very high79 Ų7940 Ų4037%0.36920%0.199SC..Hα-helixtrans-57.9-48.1-174.8-175.7179.3-162.600112S224 D228 I375 N381S224-E377 WeakPolarHBondContact OG-CB 3.33Å; S224-E377 PolarHBondContact OG-OE2 2.63Å; D228-E377 HydrophobicContact CB-CG 4.37Å; I375-E377 PolarHBondContact O-N 3.03Å; E377-N381 WeakPolarHBondContact O-CB 3.46Å; E377-N381 PolarHBondContact O-N 3.45Å; E377-N381 VanDerWaalsContact O-N 3.16Å; E377-N381 PolarHBondContact O-ND2 2.8Å
378A98.2Very high97Very high1 Ų142.7 Ų42.71%0.00821%0.214CC..Hα-helixtrans-65.5-43.4178.100000112.2L227 D228 I231 F347 Q376 L382L227-A378 HydrophobicContact CD2-CB 3.83Å; L227-A378 HydrophobicContact CG-CB 3.76Å; D228-A378 HydrophobicContact CB-CB 4.24Å; I231-A378 HydrophobicContact CD1-CB 3.91Å; F347-A378 HydrophobicContact CD2-CB 4.3Å; F347-A378 HydrophobicContact CE2-CB 4.3Å; Q376-A378 PolarHBondContact O-N 2.7Å; A378-L382 WeakPolarHBondContact O-CG 3.13Å; A378-L382 PolarHBondContact O-N 2.97Å
379L98.3Very high96.9Very high1 Ų140.6 Ų40.61%0.00521%0.206CC..Hα-helixtrans-68.7-45.1-179.4-178.156.5000111.9F347 I375 Q376 N381 L382 M383 F422 L426 T433 K436F347-L379 HydrophobicContact CD1-CD1 4.5Å; F347-L379 HydrophobicContact CE1-CD1 3.98Å; F347-L379 HydrophobicContact CE2-CB 3.78Å; F347-L379 HydrophobicContact CE2-CD1 4.36Å; F347-L379 HydrophobicContact CZ-CB 3.83Å; F347-L379 HydrophobicContact CZ-CD1 3.91Å; F347-L379 HydrophobicContact CZ-CD2 4.23Å; F347-L379 HydrophobicContact CZ-CG 4.19Å; I375-L379 VanDerWaalsContact O-CB 3.26Å; I375-L379 WeakPolarHBondContact O-CB 3.29Å; I375-L379 PolarHBondContact O-N 3Å; Q376-L379 PolarHBondContact O-N 3.41Å; L379-N381 VanDerWaalsContact C-N 3.32Å; L379-N381 PolarHBondContact O-N 2.97Å; L379-L382 PolarHBondContact O-N 2.77Å; L379-L382 VanDerWaalsContact O-N 3.1Å; L379-M383 HydrophobicContact CD1-CE 4.15Å; L379-M383 HydrophobicContact CD1-CG 4Å; L379-M383 HydrophobicContact CD1-SD 4.36Å; L379-M383 HydrophobicContact CG-CG 4.26Å; L379-M383 VanDerWaalsContact O-CG 3.23Å; L379-M383 WeakPolarHBondContact O-CG 3.23Å; L379-M383 PolarHBondContact O-N 3.09Å; L379-F422 HydrophobicContact CD1-CE2 3.8Å; L379-F422 HydrophobicContact CD1-CZ 3.96Å; L379-F422 HydrophobicContact CD2-CZ 4.33Å; L379-L426 HydrophobicContact CD2-CD1 4.46Å; L379-T433 HydrophobicContact CD2-CG2 3.78Å; L379-K436 HydrophobicContact CD2-CD 3.92Å; L379-K436 HydrophobicContact CG-CD 4.03Å
380D98.3Very high96.8Very high73 Ų7333.4 Ų33.439%0.3918%0.175SC..Hα-helixtrans-63.4-38178.5-77.2-48000111.9Q376 L382 M383 L384 K436Q376-D380 WeakPolarHBondContact O-CB 3.44Å; Q376-D380 PolarHBondContact O-N 3.2Å; D380-L382 VanDerWaalsContact C-N 3.3Å; D380-L382 PolarHBondContact O-N 2.86Å; D380-M383 PolarHBondContact O-N 3.23Å; D380-L384 WeakPolarHBondContact O-CB 3.07Å; D380-L384 PolarHBondContact O-N 3.03Å; D380-K436 WeakPolarHBondContact OD1-CE 3.19Å; D380-K436 IonicContact OD1-NZ 2.66Å; D380-K436 PolarHBondContact OD1-NZ 3.38Å; D380-K436 IonicContact OD2-NZ 3.66Å; D380-K436 PolarHBondContact OD2-NZ 3.01Å
381N97.7Very high96.7Very high60 Ų6034.8 Ų34.832%0.32119%0.187SC..Hα-helixtrans-62.5-34.9173.1-73.4-32.9000112.4D228 K232 E377 L379 E385D228-N381 PolarHBondContact OD1-ND2 2.66Å; K232-N381 PolarHBondContact NZ-ND2 3.17Å; E377-N381 WeakPolarHBondContact O-CB 3.46Å; E377-N381 PolarHBondContact O-N 3.45Å; E377-N381 VanDerWaalsContact O-N 3.16Å; E377-N381 PolarHBondContact O-ND2 2.8Å; L379-N381 VanDerWaalsContact C-N 3.32Å; L379-N381 PolarHBondContact O-N 2.97Å; N381-E385 PolarHBondContact O-N 3.4Å
382L97Very high96.4Very high10 Ų1036.9 Ų36.95%0.05221%0.205CC..Hα-helixtrans-78.1-34177-72.8169.8000114I231 Y340 C343 I344 F347 A378 L379 D380 G386I231-L382 HydrophobicContact CD1-CD1 4.25Å; I231-L382 HydrophobicContact CG2-CD1 4.23Å; I231-L382 HydrophobicContact CG2-CD2 3.9Å; I231-L382 HydrophobicContact CG2-CG 4.29Å; Y340-L382 HydrophobicContact CE2-CD2 4.47Å; Y340-L382 VanDerWaalsContact CE2-O 3.32Å; Y340-L382 WeakPolarHBondContact CE2-O 3.35Å; Y340-L382 PolarHBondContact OH-O 2.82Å; C343-L382 HydrophobicContact CB-CD2 3.7Å; I344-L382 HydrophobicContact CD1-CB 4.29Å; F347-L382 HydrophobicContact CB-CD1 3.49Å; F347-L382 VanDerWaalsContact CB-CD1 3.49Å; F347-L382 HydrophobicContact CD2-CD1 3.91Å; F347-L382 HydrophobicContact CG-CD1 3.83Å; A378-L382 WeakPolarHBondContact O-CG 3.13Å; A378-L382 PolarHBondContact O-N 2.97Å; L379-L382 PolarHBondContact O-N 2.77Å; L379-L382 VanDerWaalsContact O-N 3.1Å; D380-L382 VanDerWaalsContact C-N 3.3Å; D380-L382 PolarHBondContact O-N 2.86Å; L382-G386 PolarHBondContact O-N 3.43Å
383M97.6Very high96Very high12 Ų1235.6 Ų35.66%0.05920%0.198CC..Hα-helixtrans-71.5-41.4175.6-62.1-69.897.800110.5I344 L379 D380 E385 G386 D387 K436 L437 L440I344-M383 HydrophobicContact CD1-CE 4.07Å; L379-M383 HydrophobicContact CD1-CE 4.15Å; L379-M383 HydrophobicContact CD1-CG 4Å; L379-M383 HydrophobicContact CD1-SD 4.36Å; L379-M383 HydrophobicContact CG-CG 4.26Å; L379-M383 VanDerWaalsContact O-CG 3.23Å; L379-M383 WeakPolarHBondContact O-CG 3.23Å; L379-M383 PolarHBondContact O-N 3.09Å; D380-M383 PolarHBondContact O-N 3.23Å; M383-E385 VanDerWaalsContact C-N 3.3Å; M383-E385 PolarHBondContact O-N 3.23Å; M383-G386 PolarHBondContact O-N 3.39Å; M383-G386 VanDerWaalsContact O-N 3.12Å; M383-D387 PolarHBondContact O-N 2.98Å; M383-K436 HydrophobicContact CG-CB 3.77Å; M383-K436 HydrophobicContact CG-CD 4.3Å; M383-K436 VanDerWaalsContact SD-C 3.53Å; M383-K436 HydrophobicContact SD-CB 3.72Å; M383-L437 HydrophobicContact CE-CD1 4.4Å; M383-L437 HydrophobicContact SD-CB 4.45Å; M383-L440 HydrophobicContact CE-CD2 3.75Å; M383-L440 HydrophobicContact SD-CB 4.22Å; M383-L440 HydrophobicContact SD-CD2 4.01Å
384L96.7Very high95.8Very high98 Ų9839 Ų3951%0.51321%0.206SC..Hα-helixtrans-59.2-38.7172.9178.961.2000112.5D380 D387 N388D380-L384 WeakPolarHBondContact O-CB 3.07Å; D380-L384 PolarHBondContact O-N 3.03Å; L384-D387 PolarHBondContact O-N 3.07Å; L384-N388 WeakPolarHBondContact O-CB 3.5Å; L384-N388 VanDerWaalsContact O-CG 3.26Å; L384-N388 PolarHBondContact O-N 3.42Å; L384-N388 PolarHBondContact O-ND2 3.1Å
385E94.5Very high95.5Very high56 Ų5645.6 Ų45.626%0.26223%0.231SC..Hα-helixtrans-64.4-43.1173.9-168.774.1-161.900111.7K235 Y340 N381 M383 D387 N388 I389K235-E385 IonicContact NZ-OE1 3.19Å; K235-E385 PolarHBondContact NZ-OE1 3.31Å; K235-E385 IonicContact NZ-OE2 3.53Å; K235-E385 PolarHBondContact NZ-OE2 2.89Å; Y340-E385 HydrophobicContact CD2-CB 4.12Å; Y340-E385 HydrophobicContact CD2-CG 3.71Å; Y340-E385 HydrophobicContact CE2-CB 3.8Å; Y340-E385 HydrophobicContact CE2-CG 3.92Å; N381-E385 PolarHBondContact O-N 3.4Å; M383-E385 VanDerWaalsContact C-N 3.3Å; M383-E385 PolarHBondContact O-N 3.23Å; E385-D387 PolarHBondContact O-N 2.99Å; E385-N388 WeakPolarHBondContact O-CB 3.47Å; E385-N388 PolarHBondContact O-N 2.77Å; E385-I389 WeakPolarHBondContact O-CG1 3.5Å; E385-I389 PolarHBondContact O-N 3.16Å; E385-I389 VanDerWaalsContact O-N 3.08Å
386G95.1Very high95.2Very high0 Ų046.2 Ų46.20%024%0.236CC..Hα-helixtrans-61.6-42.9174.600000112.9Y340 L382 M383 N388 I389 V390Y340-G386 WeakPolarHBondContact OH-CA 3.19Å; Y340-G386 PolarHBondContact OH-N 3.32Å; L382-G386 PolarHBondContact O-N 3.43Å; M383-G386 PolarHBondContact O-N 3.39Å; M383-G386 VanDerWaalsContact O-N 3.12Å; G386-N388 VanDerWaalsContact C-N 3.31Å; G386-N388 PolarHBondContact O-N 3.25Å; G386-I389 WeakPolarHBondContact O-CB 3.44Å; G386-I389 PolarHBondContact O-N 2.9Å; G386-V390 PolarHBondContact O-N 3.22Å
387D95.5Very high94.8Very high76 Ų7644 Ų4441%0.40623%0.226SC..Hα-helixtrans-65.5-33.1174.7-84.9-37000112.2M383 L384 E385 I389 V390 A391M383-D387 PolarHBondContact O-N 2.98Å; L384-D387 PolarHBondContact O-N 3.07Å; E385-D387 PolarHBondContact O-N 2.99Å; D387-I389 VanDerWaalsContact C-N 3.33Å; D387-V390 PolarHBondContact O-N 2.79Å; D387-A391 VanDerWaalsContact O-CB 3.23Å; D387-A391 WeakPolarHBondContact O-CB 3.4Å; D387-A391 PolarHBondContact O-N 3.45Å
388N94.1Very high94.4Very high80 Ų8047.6 Ų47.643%0.42824%0.244SC..Hα-helixtrans-63.9-37.5171.9-77.4-41.9000112.1L384 E385 G386 A391 A392L384-N388 WeakPolarHBondContact O-CB 3.5Å; L384-N388 VanDerWaalsContact O-CG 3.26Å; L384-N388 PolarHBondContact O-N 3.42Å; L384-N388 PolarHBondContact O-ND2 3.1Å; E385-N388 WeakPolarHBondContact O-CB 3.47Å; E385-N388 PolarHBondContact O-N 2.77Å; G386-N388 VanDerWaalsContact C-N 3.31Å; G386-N388 PolarHBondContact O-N 3.25Å; N388-A391 CarbonylContact O-C 3.44Å; N388-A391 PolarHBondContact O-N 3.45Å; N388-A392 WeakPolarHBondContact O-CB 3.32Å; N388-A392 PolarHBondContact O-N 2.84Å
389I92.8Very high94.2Very high31 Ų3156.7 Ų56.716%0.15928%0.278CS..Hα-helixtrans-67.9-46.6174.7-64.5168.2000110.4Y340 E385 G386 D387 A391 A392 A393 I411Y340-I389 HydrophobicContact CD1-CD1 3.88Å; Y340-I389 HydrophobicContact CD2-CD1 4.43Å; Y340-I389 HydrophobicContact CE1-CD1 4.36Å; Y340-I389 HydrophobicContact CG-CD1 3.91Å; E385-I389 WeakPolarHBondContact O-CG1 3.5Å; E385-I389 PolarHBondContact O-N 3.16Å; E385-I389 VanDerWaalsContact O-N 3.08Å; G386-I389 WeakPolarHBondContact O-CB 3.44Å; G386-I389 PolarHBondContact O-N 2.9Å; D387-I389 VanDerWaalsContact C-N 3.33Å; I389-A391 VanDerWaalsContact C-N 3.27Å; I389-A391 PolarHBondContact O-N 2.8Å; I389-A392 WeakPolarHBondContact O-CA 3.31Å; I389-A392 WeakPolarHBondContact O-CB 3.41Å; I389-A392 PolarHBondContact O-N 3.03Å; I389-A393 PolarHBondContact O-N 3.21Å; I389-I411 HydrophobicContact CD1-CD1 3.86Å; I389-I411 HydrophobicContact CG2-CD1 3.92Å
390V93.7Very high93.8Very high4 Ų463.3 Ų63.32%0.02431%0.309CS..Hα-helixtrans-56.7-42172.1167.60000111.4G386 D387 A392 R394 L440 M444 I447G386-V390 PolarHBondContact O-N 3.22Å; D387-V390 PolarHBondContact O-N 2.79Å; V390-A392 VanDerWaalsContact C-N 3.33Å; V390-R394 VanDerWaalsContact O-CB 3.27Å; V390-R394 WeakPolarHBondContact O-CB 3.38Å; V390-R394 PolarHBondContact O-N 3.43Å; V390-L440 HydrophobicContact CG2-CD1 4.49Å; V390-M444 HydrophobicContact CG2-CB 4.39Å; V390-M444 HydrophobicContact CG2-CE 4.3Å; V390-M444 HydrophobicContact CG2-CG 3.46Å; V390-M444 VanDerWaalsContact CG2-CG 3.46Å; V390-I447 HydrophobicContact CG1-CB 4.4Å; V390-I447 HydrophobicContact CG1-CG2 4.06Å; V390-I447 HydrophobicContact CG2-CG2 4.44Å
391A93.8Very high93.4Very high37 Ų3763 Ų6331%0.30631%0.307SS..Hα-helixtrans-70.2-26.6176.400000113D387 N388 I389 R395D387-A391 VanDerWaalsContact O-CB 3.23Å; D387-A391 WeakPolarHBondContact O-CB 3.4Å; D387-A391 PolarHBondContact O-N 3.45Å; N388-A391 CarbonylContact O-C 3.44Å; N388-A391 PolarHBondContact O-N 3.45Å; I389-A391 VanDerWaalsContact C-N 3.27Å; I389-A391 PolarHBondContact O-N 2.8Å; A391-R395 VanDerWaalsContact O-CG 3.31Å; A391-R395 WeakPolarHBondContact O-CG 3.35Å; A391-R395 PolarHBondContact O-N 2.93Å; A391-R395 PolarHBondContact O-NE 3.19Å
392A91.6Very high93Very high44 Ų4461 Ų6136%0.36430%0.295SS..Hα-helixtrans-71.1-53172.800000111.4N388 I389 V390 R394 R395 A396N388-A392 WeakPolarHBondContact O-CB 3.32Å; N388-A392 PolarHBondContact O-N 2.84Å; I389-A392 WeakPolarHBondContact O-CA 3.31Å; I389-A392 WeakPolarHBondContact O-CB 3.41Å; I389-A392 PolarHBondContact O-N 3.03Å; V390-A392 VanDerWaalsContact C-N 3.33Å; A392-R394 VanDerWaalsContact C-N 3.31Å; A392-R394 PolarHBondContact O-N 3.1Å; A392-R395 VanDerWaalsContact CA-NH2 3.26Å; A392-R395 WeakPolarHBondContact O-CB 3.23Å; A392-R395 PolarHBondContact O-N 3.3Å; A392-A396 PolarHBondContact O-N 3.25Å
393A90.9Very high92.5Very high4 Ų463.6 Ų63.63%0.03331%0.314CS..Hα-helixtrans-56.9-44.1175.700000111.6I389 R395 A396 I397 I408I389-A393 PolarHBondContact O-N 3.21Å; A393-R395 VanDerWaalsContact C-N 3.25Å; A393-R395 PolarHBondContact O-N 2.8Å; A393-A396 WeakPolarHBondContact O-CB 3.41Å; A393-A396 PolarHBondContact O-N 3.49Å; A393-I397 WeakPolarHBondContact O-CD1 3.3Å; A393-I397 VanDerWaalsContact O-CG1 3.25Å; A393-I397 WeakPolarHBondContact O-CG1 3.24Å; A393-I397 PolarHBondContact O-N 2.99Å; A393-I408 HydrophobicContact CB-CD1 3.63Å; A393-I408 HydrophobicContact CB-CG1 4.17Å
394R92.8Very high92Very high105 Ų10563.7 Ų63.740%0.39632%0.317SS..Hα-helixtrans-55.7-37174.5-169.4-177.8-55.6-86.7-2.3113.3V390 A392 M398 I447V390-R394 VanDerWaalsContact O-CB 3.27Å; V390-R394 WeakPolarHBondContact O-CB 3.38Å; V390-R394 PolarHBondContact O-N 3.43Å; A392-R394 VanDerWaalsContact C-N 3.31Å; A392-R394 PolarHBondContact O-N 3.1Å; R394-M398 WeakPolarHBondContact O-CB 3.44Å; R394-M398 VanDerWaalsContact O-CG 3.3Å; R394-M398 WeakPolarHBondContact O-CG 3.38Å; R394-M398 PolarHBondContact O-N 2.62Å; R394-I447 HydrophobicContact CB-CD1 3.93Å; R394-I447 HydrophobicContact CB-CG1 4.23Å; R394-I447 HydrophobicContact CG-CD1 3.97Å
395R92.9Very high91.6Very high138 Ų13859 Ų5952%0.52129%0.293SS..Hα-helixtrans-75.8-27176.5-76174.5-72.3142.5-6.9113.4A391 A392 A393 R399A391-R395 VanDerWaalsContact O-CG 3.31Å; A391-R395 WeakPolarHBondContact O-CG 3.35Å; A391-R395 PolarHBondContact O-N 2.93Å; A391-R395 PolarHBondContact O-NE 3.19Å; A392-R395 VanDerWaalsContact CA-NH2 3.26Å; A392-R395 WeakPolarHBondContact O-CB 3.23Å; A392-R395 PolarHBondContact O-N 3.3Å; A393-R395 VanDerWaalsContact C-N 3.25Å; A393-R395 PolarHBondContact O-N 2.8Å; R395-R399 WeakPolarHBondContact O-CD 3.47Å; R395-R399 WeakPolarHBondContact O-CG 3.37Å
396A91.2Very high91.3Very high13 Ų1357.6 Ų57.611%0.10729%0.286CS..Hα-helixtrans-76-46.4174.100000111.4A392 A393 M398 R399 H400 D401 A404A392-A396 PolarHBondContact O-N 3.25Å; A393-A396 WeakPolarHBondContact O-CB 3.41Å; A393-A396 PolarHBondContact O-N 3.49Å; A396-M398 VanDerWaalsContact C-N 3.29Å; A396-M398 PolarHBondContact O-N 2.98Å; A396-R399 CarbonylContact O-C 3.51Å; A396-R399 WeakPolarHBondContact O-CA 3.14Å; A396-R399 WeakPolarHBondContact O-CB 3.39Å; A396-R399 PolarHBondContact O-N 2.97Å; A396-H400 PolarHBondContact O-N 3.36Å; A396-D401 CarbonylContact C-O 3.57Å; A396-D401 VanDerWaalsContact C-O 3.23Å; A396-D401 HydrophobicContact CB-CB 4.12Å; A396-D401 PolarHBondContact O-N 3.37Å; A396-A404 HydrophobicContact CB-CB 3.33Å
397I90.1Very high91Very high3 Ų359.5 Ų59.52%0.01530%0.298CS..Hα-helixtrans-55.3-44.4174.7-65.1157.4000110.8A393 R399 H400 D401 Y402 I447 A451 E454A393-I397 WeakPolarHBondContact O-CD1 3.3Å; A393-I397 VanDerWaalsContact O-CG1 3.25Å; A393-I397 WeakPolarHBondContact O-CG1 3.24Å; A393-I397 PolarHBondContact O-N 2.99Å; I397-R399 PolarHBondContact O-N 3.39Å; I397-H400 PolarHBondContact O-N 3.05Å; I397-D401 PolarHBondContact N-O 2.97Å; I397-Y402 HydrophobicContact CG2-CD1 4.32Å; I397-Y402 HydrophobicContact CG2-CE1 4.09Å; I397-I447 HydrophobicContact CD1-CD1 3.72Å; I397-I447 HydrophobicContact CD1-CG1 3.75Å; I397-A451 HydrophobicContact CD1-CB 3.51Å; I397-A451 HydrophobicContact CG1-CB 3.84Å; I397-E454 WeakPolarHBondContact CG2-OE2 3.34Å
398M90.7Very high90.7Very high153 Ų15355.9 Ų55.975%0.75428%0.279SS*.THydrogen-bonded Turntrans-63.1-8.1174-78.3-179.4135.700115.3R394 A396R394-M398 WeakPolarHBondContact O-CB 3.44Å; R394-M398 VanDerWaalsContact O-CG 3.3Å; R394-M398 WeakPolarHBondContact O-CG 3.38Å; R394-M398 PolarHBondContact O-N 2.62Å; A396-M398 VanDerWaalsContact C-N 3.29Å; A396-M398 PolarHBondContact O-N 2.98Å
399R92.7Very high90.7Very high192 Ų19252.1 Ų52.173%0.72526%0.259SS*.THydrogen-bonded Turntrans-108.19.2174.2-64.1166.8176.6176.9-3.4112.4R395 A396 I397 D401R395-R399 WeakPolarHBondContact O-CD 3.47Å; R395-R399 WeakPolarHBondContact O-CG 3.37Å; A396-R399 CarbonylContact O-C 3.51Å; A396-R399 WeakPolarHBondContact O-CA 3.14Å; A396-R399 WeakPolarHBondContact O-CB 3.39Å; A396-R399 PolarHBondContact O-N 2.97Å; I397-R399 PolarHBondContact O-N 3.39Å; R399-D401 PolarHBondContact O-N 3.38Å
400H89.5Confident90.7Very high140 Ų14052.4 Ų52.465%0.64826%0.263SS*.THydrogen-bonded Turntrans63.515.8-169.3-51.4-72.5000114.6A396 I397 Y402A396-H400 PolarHBondContact O-N 3.36Å; I397-H400 PolarHBondContact O-N 3.05Å; H400-Y402 HydrophobicContact CB-CE2 3.86Å; H400-Y402 AromaticContact ND1-CZ 3.8Å; H400-Y402 PolarHBondContact ND1-OH 2.98Å; H400-Y402 VanDerWaalsContact O-CD2 3.23Å; H400-Y402 WeakPolarHBondContact O-CD2 3.49Å; H400-Y402 WeakPolarHBondContact O-CE2 3.28Å; H400-Y402 PolarHBondContact O-N 3.07Å
401D90.5Very high90.8Very high67 Ų6752.2 Ų52.236%0.35826%0.261SS..  trans-84.488165.1176.613.3000109.2A396 I397 R399 S403 A404A396-D401 CarbonylContact C-O 3.57Å; A396-D401 VanDerWaalsContact C-O 3.23Å; A396-D401 HydrophobicContact CB-CB 4.12Å; A396-D401 PolarHBondContact O-N 3.37Å; I397-D401 PolarHBondContact N-O 2.97Å; R399-D401 PolarHBondContact O-N 3.38Å; D401-S403 VanDerWaalsContact C-N 3.32Å; D401-S403 WeakPolarHBondContact OD1-CB 3.49Å; D401-S403 PolarHBondContact OD1-N 3.33Å; D401-S403 VanDerWaalsContact OD1-N 3.08Å; D401-S403 PolarHBondContact OD1-OG 3.26Å; D401-A404 PolarHBondContact OD1-N 2.83Å
402Y90.4Very high90.8Very high19 Ų1950.4 Ų50.48%0.07525%0.247CC..  trans-80.2-13.6175.5-56.5-69.8000112.7I397 H400 A404 V405 E454 F455 S458I397-Y402 HydrophobicContact CG2-CD1 4.32Å; I397-Y402 HydrophobicContact CG2-CE1 4.09Å; H400-Y402 HydrophobicContact CB-CE2 3.86Å; H400-Y402 AromaticContact ND1-CZ 3.8Å; H400-Y402 PolarHBondContact ND1-OH 2.98Å; H400-Y402 VanDerWaalsContact O-CD2 3.23Å; H400-Y402 WeakPolarHBondContact O-CD2 3.49Å; H400-Y402 WeakPolarHBondContact O-CE2 3.28Å; H400-Y402 PolarHBondContact O-N 3.07Å; Y402-A404 PolarHBondContact O-N 2.96Å; Y402-V405 VanDerWaalsContact O-CG1 3.32Å; Y402-V405 WeakPolarHBondContact O-CG1 3.44Å; Y402-V405 PolarHBondContact O-N 3.02Å; Y402-E454 HydrophobicContact CD1-CB 4.44Å; Y402-E454 HydrophobicContact CE1-CB 3.56Å; Y402-E454 PolarHBondContact OH-O 3.14Å; Y402-F455 HydrophobicContact CD1-CB 4.03Å; Y402-F455 HydrophobicContact CD2-CB 4.24Å; Y402-F455 AromaticContact CD2-CD2 3.81Å; Y402-F455 HydrophobicContact CD2-CD2 3.81Å; Y402-F455 HydrophobicContact CG-CB 3.82Å; Y402-F455 AromaticContact CG-CD2 3.89Å; Y402-F455 HydrophobicContact CG-CD2 3.89Å; Y402-F455 HydrophobicContact CG-CG 4.36Å; Y402-S458 WeakPolarHBondContact CE2-OG 3.29Å
403S86Confident91Very high63 Ų6352.4 Ų52.444%0.44125%0.245SC..G310 helixtrans-65.2-29.6179.476.70000111.7D401 V405 L406D401-S403 VanDerWaalsContact C-N 3.32Å; D401-S403 WeakPolarHBondContact OD1-CB 3.49Å; D401-S403 PolarHBondContact OD1-N 3.33Å; D401-S403 VanDerWaalsContact OD1-N 3.08Å; D401-S403 PolarHBondContact OD1-OG 3.26Å; S403-V405 PolarHBondContact O-N 2.9Å; S403-L406 VanDerWaalsContact O-CB 3.28Å; S403-L406 WeakPolarHBondContact O-CB 3.48Å; S403-L406 VanDerWaalsContact O-CG 3.31Å; S403-L406 WeakPolarHBondContact O-CG 3.48Å; S403-L406 PolarHBondContact O-N 3.11Å
404A86.5Confident91.1Very high15 Ų1553.5 Ų53.512%0.12425%0.249CC..G310 helixtrans-62.71.617300000115.7A396 D401 Y402 T407A396-A404 HydrophobicContact CB-CB 3.33Å; D401-A404 PolarHBondContact OD1-N 2.83Å; Y402-A404 PolarHBondContact O-N 2.96Å; A404-T407 PolarHBondContact O-OG1 2.67Å; A404-T407 VanDerWaalsContact O-OG1 3.08Å
405V88.4Confident91.3Very high0 Ų048.6 Ų48.60%023%0.231CC..G310 helixtrans-76.9-28.4163.176.40000112.2Y402 S403 T407 I408 F409 A451 L452 F485Y402-V405 VanDerWaalsContact O-CG1 3.32Å; Y402-V405 WeakPolarHBondContact O-CG1 3.44Å; Y402-V405 PolarHBondContact O-N 3.02Å; S403-V405 PolarHBondContact O-N 2.9Å; V405-T407 VanDerWaalsContact C-N 3.25Å; V405-T407 PolarHBondContact O-N 2.93Å; V405-I408 WeakPolarHBondContact O-CB 3.22Å; V405-I408 PolarHBondContact O-N 3.08Å; V405-F409 HydrophobicContact CG1-CE2 4.11Å; V405-F409 HydrophobicContact CG1-CZ 4.39Å; V405-F409 HydrophobicContact CG2-CE1 4.46Å; V405-F409 HydrophobicContact CG2-CE2 4.32Å; V405-F409 HydrophobicContact CG2-CZ 3.96Å; V405-A451 HydrophobicContact CB-CB 3.78Å; V405-A451 HydrophobicContact CG2-CB 3.75Å; V405-L452 HydrophobicContact CG1-CD2 4.49Å; V405-F485 HydrophobicContact CG1-CE2 3.96Å; V405-F485 HydrophobicContact CG1-CZ 3.86Å
406L88.8Confident91.3Very high25 Ų2545.2 Ų45.213%0.13122%0.22CC..THydrogen-bonded Turntrans-62.7-34.8-175.9-61.7170.9000111.3S403 I408 F409 P410 Q488 F492S403-L406 VanDerWaalsContact O-CB 3.28Å; S403-L406 WeakPolarHBondContact O-CB 3.48Å; S403-L406 VanDerWaalsContact O-CG 3.31Å; S403-L406 WeakPolarHBondContact O-CG 3.48Å; S403-L406 PolarHBondContact O-N 3.11Å; L406-I408 VanDerWaalsContact C-N 3.25Å; L406-I408 PolarHBondContact O-N 2.98Å; L406-F409 HydrophobicContact CD2-CD2 4.17Å; L406-F409 HydrophobicContact CD2-CE2 4.12Å; L406-F409 PolarHBondContact O-N 3.03Å; L406-P410 WeakPolarHBondContact O-CD 3.39Å; L406-Q488 HydrophobicContact CD1-CB 3.84Å; L406-Q488 HydrophobicContact CD1-CG 4.35Å; L406-Q488 HydrophobicContact CD2-CB 4.13Å; L406-F492 HydrophobicContact CD2-CD2 4.32Å
407T87.6Confident91.4Very high41 Ų4150.4 Ų50.425%0.25224%0.242SC..THydrogen-bonded Turntrans-66.6-21.3175.8590000114I337 A404 V405I337-T407 HydrophobicContact CD1-CG2 3.74Å; A404-T407 PolarHBondContact O-OG1 2.67Å; A404-T407 VanDerWaalsContact O-OG1 3.08Å; V405-T407 VanDerWaalsContact C-N 3.25Å; V405-T407 PolarHBondContact O-N 2.93Å
408I90.8Very high91.6Very high0 Ų051 Ų510%025%0.245CC..Hα-helixtrans-75.4-32.9174-63.4-176.4000110.8A393 V405 L406 I411 L412 M444 I447A393-I408 HydrophobicContact CB-CD1 3.63Å; A393-I408 HydrophobicContact CB-CG1 4.17Å; V405-I408 WeakPolarHBondContact O-CB 3.22Å; V405-I408 PolarHBondContact O-N 3.08Å; L406-I408 VanDerWaalsContact C-N 3.25Å; L406-I408 PolarHBondContact O-N 2.98Å; I408-I411 PolarHBondContact O-N 3.2Å; I408-L412 HydrophobicContact CG2-CB 4.13Å; I408-L412 VanDerWaalsContact O-CB 3.29Å; I408-L412 WeakPolarHBondContact O-CB 3.06Å; I408-L412 PolarHBondContact O-N 3.24Å; I408-M444 HydrophobicContact CG2-CB 3.97Å; I408-M444 HydrophobicContact CG2-CG 4.29Å; I408-I447 HydrophobicContact CD1-CG2 3.52Å
409F93.4Very high91.8Very high0 Ų046.4 Ų46.40%022%0.222CC..Hα-helixtrans-65.4-41.9-170.3-64.1-47.8000115V405 L406 I411 L412 R413 L489 F492 T495 A496 M499V405-F409 HydrophobicContact CG1-CE2 4.11Å; V405-F409 HydrophobicContact CG1-CZ 4.39Å; V405-F409 HydrophobicContact CG2-CE1 4.46Å; V405-F409 HydrophobicContact CG2-CE2 4.32Å; V405-F409 HydrophobicContact CG2-CZ 3.96Å; L406-F409 HydrophobicContact CD2-CD2 4.17Å; L406-F409 HydrophobicContact CD2-CE2 4.12Å; L406-F409 PolarHBondContact O-N 3.03Å; F409-I411 VanDerWaalsContact C-N 3.33Å; F409-I411 PolarHBondContact O-N 3.5Å; F409-L412 PolarHBondContact O-N 3.38Å; F409-R413 VanDerWaalsContact O-CB 3.24Å; F409-R413 WeakPolarHBondContact O-CB 3.39Å; F409-R413 PolarHBondContact O-N 2.94Å; F409-L489 HydrophobicContact CE2-CD1 3.56Å; F409-L489 HydrophobicContact CZ-CD1 3.84Å; F409-F492 HydrophobicContact CB-CB 3.73Å; F409-F492 HydrophobicContact CB-CD1 3.28Å; F409-F492 HydrophobicContact CB-CD2 4.11Å; F409-F492 HydrophobicContact CB-CE1 3.89Å; F409-F492 HydrophobicContact CB-CG 3.4Å; F409-F492 VanDerWaalsContact CB-CG 3.4Å; F409-F492 HydrophobicContact CD2-CB 3.59Å; F409-F492 HydrophobicContact CD2-CD1 4.45Å; F409-F492 AromaticContact CD2-CD2 3.82Å; F409-F492 HydrophobicContact CD2-CD2 3.82Å; F409-F492 AromaticContact CD2-CG 3.68Å; F409-F492 HydrophobicContact CD2-CG 3.68Å; F409-F492 HydrophobicContact CE2-CB 4.32Å; F409-F492 HydrophobicContact CG-CB 3.73Å; F409-F492 HydrophobicContact CG-CD1 4.22Å; F409-F492 HydrophobicContact CG-CD2 4.39Å; F409-F492 AromaticContact CG-CG 3.85Å; F409-F492 HydrophobicContact CG-CG 3.85Å; F409-T495 HydrophobicContact CB-CG2 4.34Å; F409-T495 HydrophobicContact CD1-CG2 4.11Å; F409-A496 HydrophobicContact CE1-CB 3.99Å; F409-A496 HydrophobicContact CZ-CB 3.93Å; F409-M499 HydrophobicContact CE1-CE 3.62Å; F409-M499 HydrophobicContact CE1-SD 3.85Å; F409-M499 HydrophobicContact CZ-CE 3.99Å
410P93.3Very high91.9Very high37 Ų3741 Ų4124%0.2421%0.211CC..Hα-helixtrans-56.5-46.3171.6-24.732.4000112.3I337 I341 L406 R413 H414 F492I337-P410 HydrophobicContact CG2-CB 4.11Å; I341-P410 HydrophobicContact CD1-CB 4.11Å; L406-P410 WeakPolarHBondContact O-CD 3.39Å; P410-R413 PolarHBondContact O-N 3.47Å; P410-H414 PolarHBondContact O-N 3.18Å; P410-F492 HydrophobicContact CG-CE1 3.77Å; P410-F492 HydrophobicContact CG-CZ 3.95Å
411I94.9Very high92.1Very high0 Ų038.1 Ų38.10%020%0.2CC..Hα-helixtrans-64.8-51.7-179.5-57.7172.7000110.1I337 Y340 I341 I389 I408 F409 R413 H414 L415 M444I337-I411 HydrophobicContact CG1-CD1 4.27Å; I337-I411 HydrophobicContact CG2-CD1 4.29Å; I337-I411 HydrophobicContact CG2-CG1 3.88Å; Y340-I411 HydrophobicContact CD1-CD1 4.22Å; Y340-I411 HydrophobicContact CD1-CG1 4.41Å; Y340-I411 HydrophobicContact CD1-CG2 3.74Å; Y340-I411 HydrophobicContact CE1-CG2 3.72Å; I341-I411 HydrophobicContact CD1-CG1 4.44Å; I341-I411 HydrophobicContact CG1-CG1 4.39Å; I389-I411 HydrophobicContact CD1-CD1 3.86Å; I389-I411 HydrophobicContact CG2-CD1 3.92Å; I408-I411 PolarHBondContact O-N 3.2Å; F409-I411 VanDerWaalsContact C-N 3.33Å; F409-I411 PolarHBondContact O-N 3.5Å; I411-R413 VanDerWaalsContact C-N 3.26Å; I411-R413 PolarHBondContact O-N 3.17Å; I411-H414 PolarHBondContact O-N 2.92Å; I411-H414 VanDerWaalsContact O-N 3.1Å; I411-L415 HydrophobicContact CG2-CD1 4.09Å; I411-L415 HydrophobicContact CG2-CG 3.98Å; I411-L415 WeakPolarHBondContact O-CG 3.33Å; I411-L415 PolarHBondContact O-N 3.3Å; I411-M444 HydrophobicContact CG2-CE 3.71Å; I411-M444 HydrophobicContact CG2-SD 3.85Å
412L94.6Very high92.4Very high0 Ų035.1 Ų35.10%018%0.184CC..Hα-helixtrans-62.6-32.6-179-179.760.2000112.4I408 F409 K416 I441 M444 E445 T495 M499I408-L412 HydrophobicContact CG2-CB 4.13Å; I408-L412 VanDerWaalsContact O-CB 3.29Å; I408-L412 WeakPolarHBondContact O-CB 3.06Å; I408-L412 PolarHBondContact O-N 3.24Å; F409-L412 PolarHBondContact O-N 3.38Å; L412-K416 HydrophobicContact CD1-CD 4.44Å; L412-K416 HydrophobicContact CD1-CG 4.5Å; L412-K416 WeakPolarHBondContact O-CB 3.43Å; L412-K416 VanDerWaalsContact O-CG 3.3Å; L412-K416 WeakPolarHBondContact O-CG 3.12Å; L412-K416 PolarHBondContact O-N 3.05Å; L412-I441 HydrophobicContact CD1-CG2 3.95Å; L412-M444 HydrophobicContact CD1-CB 4.19Å; L412-E445 HydrophobicContact CD1-CG 3.9Å; L412-E445 HydrophobicContact CD2-CG 3.95Å; L412-T495 HydrophobicContact CB-CG2 4.27Å; L412-T495 HydrophobicContact CD2-CG2 4.27Å; L412-T495 HydrophobicContact CG-CG2 4.18Å; L412-M499 HydrophobicContact CD2-CB 4.21Å; L412-M499 HydrophobicContact CD2-CG 4.29Å; L412-M499 HydrophobicContact CD2-SD 4.14Å
413R94.4Very high92.6Very high86 Ų8637.3 Ų37.333%0.32520%0.197SC..Hα-helixtrans-62.7-54.1170.2-177.6-176-67.6174.5-4.6110.2F409 P410 I411 K416 Q417 D491 T495F409-R413 VanDerWaalsContact O-CB 3.24Å; F409-R413 WeakPolarHBondContact O-CB 3.39Å; F409-R413 PolarHBondContact O-N 2.94Å; P410-R413 PolarHBondContact O-N 3.47Å; I411-R413 VanDerWaalsContact C-N 3.26Å; I411-R413 PolarHBondContact O-N 3.17Å; R413-K416 PolarHBondContact O-N 3.31Å; R413-Q417 WeakPolarHBondContact O-CG 3.27Å; R413-Q417 PolarHBondContact O-N 3.03Å; R413-Q417 PolarHBondContact O-OE1 3.04Å; R413-D491 PolarHBondContact NH2-O 3.32Å; R413-T495 HydrophobicContact CB-CG2 4.14Å; R413-T495 PolarHBondContact NE-OG1 3.12Å
414H94.8Very high93.1Very high27 Ų2738.1 Ų38.113%0.12520%0.203CC..Hα-helixtrans-63-43.9-179.2-17770.8000113.4I341 S345 P410 I411 K416 Q417 T418I341-H414 HydrophobicContact CD1-CB 4.47Å; I341-H414 HydrophobicContact CG1-CB 4.1Å; I341-H414 HydrophobicContact CG2-CB 4.27Å; I341-H414 PolarHBondContact O-NE2 2.85Å; S345-H414 PolarHBondContact OG-CE1 3.3Å; S345-H414 PolarHBondContact OG-NE2 2.96Å; P410-H414 PolarHBondContact O-N 3.18Å; I411-H414 PolarHBondContact O-N 2.92Å; I411-H414 VanDerWaalsContact O-N 3.1Å; H414-K416 PolarHBondContact O-N 2.89Å; H414-Q417 PolarHBondContact O-N 3.41Å; H414-Q417 VanDerWaalsContact O-N 3.14Å; H414-T418 PolarHBondContact CE1-OG1 3.34Å; H414-T418 PolarHBondContact NE2-OG1 3.36Å; H414-T418 WeakPolarHBondContact O-CB 3.29Å; H414-T418 PolarHBondContact O-N 2.7Å; H414-T418 PolarHBondContact O-OG1 3.06Å; H414-T418 VanDerWaalsContact O-OG1 3.05Å
415L95.4Very high93.5Very high1 Ų138.2 Ų38.21%0.00520%0.202CC..Hα-helixtrans-60.5-33.8176.9-66.8-166.8000112I344 I411 K419 L437 L440 I441 M444I344-L415 HydrophobicContact CB-CD2 4.32Å; I344-L415 HydrophobicContact CD1-CD2 4.18Å; I344-L415 HydrophobicContact CG1-CD2 3.83Å; I344-L415 HydrophobicContact CG2-CD2 3.88Å; I411-L415 HydrophobicContact CG2-CD1 4.09Å; I411-L415 HydrophobicContact CG2-CG 3.98Å; I411-L415 WeakPolarHBondContact O-CG 3.33Å; I411-L415 PolarHBondContact O-N 3.3Å; L415-K419 WeakPolarHBondContact O-CB 3.4Å; L415-K419 PolarHBondContact O-N 3.03Å; L415-L437 HydrophobicContact CB-CD1 4.14Å; L415-L437 HydrophobicContact CD1-CD1 3.98Å; L415-L437 HydrophobicContact CD2-CD1 3.86Å; L415-L437 HydrophobicContact CG-CD1 4.19Å; L415-L440 HydrophobicContact CD1-CD2 3.98Å; L415-L440 HydrophobicContact CD1-CG 4.24Å; L415-I441 HydrophobicContact CB-CD1 4.08Å; L415-I441 HydrophobicContact CB-CG1 3.84Å; L415-I441 HydrophobicContact CD1-CG1 4.12Å; L415-M444 HydrophobicContact CD1-CE 4.06Å; L415-M444 HydrophobicContact CD1-SD 3.62Å
416K93.4Very high93.9Very high68 Ų6838.2 Ų38.230%0.29620%0.202SC..Hα-helixtrans-75.1-36.6174.4-76.3-179.3175.7-171.70112.9L412 R413 H414 I441 E445L412-K416 HydrophobicContact CD1-CD 4.44Å; L412-K416 HydrophobicContact CD1-CG 4.5Å; L412-K416 WeakPolarHBondContact O-CB 3.43Å; L412-K416 VanDerWaalsContact O-CG 3.3Å; L412-K416 WeakPolarHBondContact O-CG 3.12Å; L412-K416 PolarHBondContact O-N 3.05Å; R413-K416 PolarHBondContact O-N 3.31Å; H414-K416 PolarHBondContact O-N 2.89Å; K416-I441 HydrophobicContact CG-CG2 4.4Å; K416-E445 WeakPolarHBondContact CE-OE1 3.27Å; K416-E445 IonicContact NZ-OE1 2.86Å; K416-E445 PolarHBondContact NZ-OE1 3.35Å
417Q93.1Very high94.1Very high121 Ų12143.7 Ų43.757%0.56523%0.227SC*.Hα-helixtrans-66.6-45.5176-72.5168.5-59.400111.7R413 H414 K419 P420R413-Q417 WeakPolarHBondContact O-CG 3.27Å; R413-Q417 PolarHBondContact O-N 3.03Å; R413-Q417 PolarHBondContact O-OE1 3.04Å; H414-Q417 PolarHBondContact O-N 3.41Å; H414-Q417 VanDerWaalsContact O-N 3.14Å; Q417-K419 VanDerWaalsContact C-N 3.3Å; Q417-K419 PolarHBondContact O-N 3.26Å; Q417-P420 WeakPolarHBondContact O-CD 3.2Å
418T93.9Very high94.3Very high15 Ų1543.8 Ų43.89%0.09224%0.236CC..SBendtrans-79.2-9.2-177.8-50.90000113.4I344 V348 H414 P420 D421 F422I344-T418 HydrophobicContact CG2-CG2 4.2Å; V348-T418 HydrophobicContact CG2-CG2 3.82Å; H414-T418 PolarHBondContact CE1-OG1 3.34Å; H414-T418 PolarHBondContact NE2-OG1 3.36Å; H414-T418 WeakPolarHBondContact O-CB 3.29Å; H414-T418 PolarHBondContact O-N 2.7Å; H414-T418 PolarHBondContact O-OG1 3.06Å; H414-T418 VanDerWaalsContact O-OG1 3.05Å; T418-P420 VanDerWaalsContact C-CD 3.5Å; T418-D421 PolarHBondContact O-N 3.49Å; T418-F422 WeakPolarHBondContact O-CB 3.49Å; T418-F422 PolarHBondContact O-N 3.31Å
419K94.4Very high94.5Very high58 Ų5844.1 Ų44.125%0.25224%0.238SC..Hα-helixtrans-58.5-42-177.4175.7167.3164.254.40114.6L415 Q417 D421 F422 D423 L437 I441L415-K419 WeakPolarHBondContact O-CB 3.4Å; L415-K419 PolarHBondContact O-N 3.03Å; Q417-K419 VanDerWaalsContact C-N 3.3Å; Q417-K419 PolarHBondContact O-N 3.26Å; K419-D421 VanDerWaalsContact C-N 3.33Å; K419-D421 PolarHBondContact O-N 2.81Å; K419-F422 PolarHBondContact O-N 2.87Å; K419-D423 IonicContact NZ-OD1 2.63Å; K419-D423 PolarHBondContact NZ-OD1 3.19Å; K419-D423 IonicContact NZ-OD2 3.5Å; K419-D423 PolarHBondContact NZ-OD2 2.9Å; K419-D423 WeakPolarHBondContact O-CB 3.48Å; K419-D423 PolarHBondContact O-N 3.36Å; K419-L437 HydrophobicContact CB-CD2 4.46Å; K419-I441 HydrophobicContact CD-CD1 4.13Å
420P95.2Very high94.7Very high79 Ų7945.7 Ų45.751%0.51325%0.251SS..Hα-helixtrans-61.1-42.5179.5-22.535.5000112.1Q417 T418 D423 S424Q417-P420 WeakPolarHBondContact O-CD 3.2Å; T418-P420 VanDerWaalsContact C-CD 3.5Å; P420-D423 PolarHBondContact O-N 3.41Å; P420-S424 VanDerWaalsContact O-CB 3.27Å; P420-S424 WeakPolarHBondContact O-CB 3.36Å; P420-S424 PolarHBondContact O-N 3.21Å
421D94.3Very high94.8Very high78 Ų7847.2 Ų47.242%0.41727%0.267SS..Hα-helixtrans-72.6-35.4-179.1-50.1-61.2000111.5V348 T418 K419 S424 T425V348-D421 HydrophobicContact CG1-CB 3.96Å; T418-D421 PolarHBondContact O-N 3.49Å; K419-D421 VanDerWaalsContact C-N 3.33Å; K419-D421 PolarHBondContact O-N 2.81Å; D421-S424 PolarHBondContact O-N 3.48Å; D421-T425 WeakPolarHBondContact O-CB 3.31Å; D421-T425 PolarHBondContact O-N 3.08Å; D421-T425 PolarHBondContact O-OG1 2.91Å
422F96.1Very high94.8Very high5 Ų551.1 Ų51.12%0.02229%0.294CS..Hα-helixtrans-61.8-49.8169.5-176.6-86.7000111.8F347 V348 L379 T418 K419 S424 T425 L426 L437F347-F422 HydrophobicContact CD1-CD2 4.29Å; F347-F422 HydrophobicContact CD1-CE2 4.12Å; F347-F422 HydrophobicContact CE1-CD2 4.11Å; F347-F422 AromaticContact CE1-CE2 3.71Å; F347-F422 HydrophobicContact CE1-CE2 3.71Å; V348-F422 HydrophobicContact CG2-CB 4.19Å; V348-F422 HydrophobicContact CG2-CD2 4.18Å; L379-F422 HydrophobicContact CD1-CE2 3.8Å; L379-F422 HydrophobicContact CD1-CZ 3.96Å; L379-F422 HydrophobicContact CD2-CZ 4.33Å; T418-F422 WeakPolarHBondContact O-CB 3.49Å; T418-F422 PolarHBondContact O-N 3.31Å; K419-F422 PolarHBondContact O-N 2.87Å; F422-S424 VanDerWaalsContact C-N 3.3Å; F422-S424 PolarHBondContact O-N 3.18Å; F422-T425 PolarHBondContact O-N 3.18Å; F422-L426 HydrophobicContact CD1-CD1 3.96Å; F422-L426 HydrophobicContact CD1-CG 4.42Å; F422-L426 HydrophobicContact CE1-CD1 3.35Å; F422-L426 HydrophobicContact CE1-CG 4.27Å; F422-L426 HydrophobicContact CE2-CD1 4.04Å; F422-L426 HydrophobicContact CZ-CD1 3.41Å; F422-L426 VanDerWaalsContact CZ-CD1 3.41Å; F422-L426 HydrophobicContact CZ-CG 4.41Å; F422-L426 WeakPolarHBondContact O-CB 3.45Å; F422-L426 VanDerWaalsContact O-CG 3.32Å; F422-L426 WeakPolarHBondContact O-CG 3.31Å; F422-L426 PolarHBondContact O-N 3.25Å; F422-L437 HydrophobicContact CB-CD2 3.79Å; F422-L437 HydrophobicContact CD1-CB 3.89Å; F422-L437 HydrophobicContact CD1-CD2 3.57Å; F422-L437 HydrophobicContact CD1-CG 4.34Å; F422-L437 HydrophobicContact CD2-CB 4.47Å; F422-L437 HydrophobicContact CD2-CD2 3.81Å; F422-L437 HydrophobicContact CE1-CB 3.41Å; F422-L437 VanDerWaalsContact CE1-CB 3.41Å; F422-L437 HydrophobicContact CE1-CD2 4.02Å; F422-L437 HydrophobicContact CE1-CG 4.34Å; F422-L437 HydrophobicContact CE2-CB 4.06Å; F422-L437 HydrophobicContact CE2-CD2 4.23Å; F422-L437 HydrophobicContact CG-CB 4.39Å; F422-L437 HydrophobicContact CG-CD2 3.45Å; F422-L437 VanDerWaalsContact CG-CD2 3.45Å; F422-L437 HydrophobicContact CZ-CB 3.51Å; F422-L437 HydrophobicContact CZ-CD2 4.32Å
423D95.9Very high94.9Very high65 Ų6551.1 Ų51.135%0.34829%0.294SS..Hα-helixtrans-60.9-38.8177.8-77.17000111.9K419 P420 Q427K419-D423 IonicContact NZ-OD1 2.63Å; K419-D423 PolarHBondContact NZ-OD1 3.19Å; K419-D423 IonicContact NZ-OD2 3.5Å; K419-D423 PolarHBondContact NZ-OD2 2.9Å; K419-D423 WeakPolarHBondContact O-CB 3.48Å; K419-D423 PolarHBondContact O-N 3.36Å; P420-D423 PolarHBondContact O-N 3.41Å; D423-Q427 PolarHBondContact O-N 2.82Å
424S95.8Very high94.9Very high80 Ų8050.1 Ų50.156%0.55929%0.292SS*.Hα-helixtrans-67.4-51.6176.5-1740000112P420 D421 F422 L426 Q427P420-S424 VanDerWaalsContact O-CB 3.27Å; P420-S424 WeakPolarHBondContact O-CB 3.36Å; P420-S424 PolarHBondContact O-N 3.21Å; D421-S424 PolarHBondContact O-N 3.48Å; F422-S424 VanDerWaalsContact C-N 3.3Å; F422-S424 PolarHBondContact O-N 3.18Å; S424-L426 VanDerWaalsContact C-N 3.25Å; S424-L426 PolarHBondContact O-N 2.96Å; S424-Q427 WeakPolarHBondContact O-CB 3.47Å; S424-Q427 PolarHBondContact O-N 3.31Å
425T95.3Very high95Very high17 Ų1753.1 Ų53.110%0.10431%0.309CS..Hα-helixtrans-59.2-38.2178.6-57.40000111.4A351 Q352 F371 D421 F422 Q427A351-T425 HydrophobicContact CB-CG2 3.87Å; Q352-T425 HydrophobicContact CG-CG2 3.66Å; Q352-T425 VanDerWaalsContact CG-OG1 3.23Å; Q352-T425 WeakPolarHBondContact CG-OG1 3.21Å; Q352-T425 PolarHBondContact NE2-OG1 3.39Å; F371-T425 WeakPolarHBondContact CE1-O 3.35Å; F371-T425 HydrophobicContact CZ-CG2 4.35Å; D421-T425 WeakPolarHBondContact O-CB 3.31Å; D421-T425 PolarHBondContact O-N 3.08Å; D421-T425 PolarHBondContact O-OG1 2.91Å; F422-T425 PolarHBondContact O-N 3.18Å; T425-Q427 VanDerWaalsContact C-N 3.27Å; T425-Q427 PolarHBondContact O-N 3.01Å
426L95.9Very high95.1Very high0 Ų054.8 Ų54.80%032%0.316CS..THydrogen-bonded Turntrans-83.47.8177.2-62.2-163.4000113.9F371 I375 L379 F422 S424 G428 T429 T433 K434F371-L426 HydrophobicContact CE1-CD2 4.29Å; I375-L426 HydrophobicContact CD1-CD2 3.3Å; L379-L426 HydrophobicContact CD2-CD1 4.46Å; F422-L426 HydrophobicContact CD1-CD1 3.96Å; F422-L426 HydrophobicContact CD1-CG 4.42Å; F422-L426 HydrophobicContact CE1-CD1 3.35Å; F422-L426 HydrophobicContact CE1-CG 4.27Å; F422-L426 HydrophobicContact CE2-CD1 4.04Å; F422-L426 HydrophobicContact CZ-CD1 3.41Å; F422-L426 VanDerWaalsContact CZ-CD1 3.41Å; F422-L426 HydrophobicContact CZ-CG 4.41Å; F422-L426 WeakPolarHBondContact O-CB 3.45Å; F422-L426 VanDerWaalsContact O-CG 3.32Å; F422-L426 WeakPolarHBondContact O-CG 3.31Å; F422-L426 PolarHBondContact O-N 3.25Å; S424-L426 VanDerWaalsContact C-N 3.25Å; S424-L426 PolarHBondContact O-N 2.96Å; L426-G428 PolarHBondContact O-N 3.43Å; L426-T429 HydrophobicContact CB-CG2 4.41Å; L426-T429 HydrophobicContact CD2-CG2 4.36Å; L426-T429 WeakPolarHBondContact O-CB 3.29Å; L426-T429 WeakPolarHBondContact O-CG2 3.43Å; L426-T429 PolarHBondContact O-N 2.94Å; L426-T429 PolarHBondContact O-OG1 2.89Å; L426-T433 HydrophobicContact CD1-CG2 4.29Å; L426-K434 HydrophobicContact CB-CG 4.07Å; L426-K434 WeakPolarHBondContact O-CE 3.23Å
427Q94.2Very high95.2Very high139 Ų13951.6 Ų51.665%0.6530%0.302SS*.THydrogen-bonded Turntrans-59.5126.6-178.9-164.6-173.765.400111.4K368 D423 S424 T425K368-Q427 WeakPolarHBondContact CE-O 3.1Å; K368-Q427 PolarHBondContact NZ-O 3.12Å; D423-Q427 PolarHBondContact O-N 2.82Å; S424-Q427 WeakPolarHBondContact O-CB 3.47Å; S424-Q427 PolarHBondContact O-N 3.31Å; T425-Q427 VanDerWaalsContact C-N 3.27Å; T425-Q427 PolarHBondContact O-N 3.01Å
428G90.6Very high95.4Very high43 Ų4347.4 Ų47.444%0.44329%0.286SS..THydrogen-bonded Turntrans88.8-10-174.700000117L426L426-G428 PolarHBondContact O-N 3.43Å
429T96.4Very high95.5Very high8 Ų851.2 Ų51.25%0.04931%0.309CS..SBendtrans-72.6176174.364.70000113.1F371 D372 I375 L426 K434F371-T429 HydrophobicContact CD1-CG2 3.67Å; F371-T429 HydrophobicContact CE1-CG2 3.94Å; D372-T429 HydrophobicContact CB-CG2 4.18Å; D372-T429 WeakPolarHBondContact OD1-CB 3.3Å; I375-T429 HydrophobicContact CD1-CG2 4.3Å; L426-T429 HydrophobicContact CB-CG2 4.41Å; L426-T429 HydrophobicContact CD2-CG2 4.36Å; L426-T429 WeakPolarHBondContact O-CB 3.29Å; L426-T429 WeakPolarHBondContact O-CG2 3.43Å; L426-T429 PolarHBondContact O-N 2.94Å; L426-T429 PolarHBondContact O-OG1 2.89Å; T429-K434 VanDerWaalsContact O-CE 3.31Å; T429-K434 WeakPolarHBondContact O-CE 3.27Å; T429-K434 PolarHBondContact O-NZ 3.15Å; T429-K434 WeakPolarHBondContact OG1-CE 3.36Å; T429-K434 WeakPolarHBondContact OG1-CG 3.35Å
430A96.4Very high95.7Very high33 Ų3348.6 Ų48.627%0.27330%0.298SS..  trans-64.9150.1179.500000112.4D372 S432 T433 K434D372-A430 PolarHBondContact OD1-N 3.42Å; A430-S432 PolarHBondContact O-N 3.15Å; A430-T433 WeakPolarHBondContact O-CB 3.4Å; A430-T433 PolarHBondContact O-N 3.4Å; A430-K434 PolarHBondContact O-N 2.93Å; A430-K434 VanDerWaalsContact O-N 3.07Å
431A95.3Very high95.8Very high68 Ų6845.4 Ų45.456%0.56228%0.276SS*.Hα-helixtrans-62-34.3177.900000112.2T433 N435A431-T433 PolarHBondContact O-N 2.64Å; A431-N435 VanDerWaalsContact O-CB 3.27Å; A431-N435 WeakPolarHBondContact O-CB 3.4Å; A431-N435 PolarHBondContact O-N 3.39Å; A431-N435 PolarHBondContact O-ND2 2.93Å
432S96Very high95.8Very high82 Ų8245.2 Ų45.257%0.57328%0.278SS*.Hα-helixtrans-60.5-30.8170.945.70000113.4A430 K436A430-S432 PolarHBondContact O-N 3.15Å; S432-K436 WeakPolarHBondContact O-CG 3.28Å
433T96.3Very high95.8Very high1 Ų146.4 Ų46.41%0.00629%0.287CS..Hα-helixtrans-79.8-48.9179.3-49.60000110.9D372 I375 Q376 L379 L426 A430 A431 N435 K436D372-T433 VanDerWaalsContact OD1-CB 3.29Å; D372-T433 WeakPolarHBondContact OD1-CB 3.44Å; D372-T433 PolarHBondContact OD1-OG1 2.86Å; I375-T433 HydrophobicContact CD1-CG2 3.86Å; I375-T433 HydrophobicContact CG1-CG2 4.36Å; Q376-T433 PolarHBondContact NE2-OG1 3.34Å; L379-T433 HydrophobicContact CD2-CG2 3.78Å; L426-T433 HydrophobicContact CD1-CG2 4.29Å; A430-T433 WeakPolarHBondContact O-CB 3.4Å; A430-T433 PolarHBondContact O-N 3.4Å; A431-T433 PolarHBondContact O-N 2.64Å; T433-N435 VanDerWaalsContact C-N 3.3Å; T433-N435 PolarHBondContact O-N 2.89Å; T433-K436 WeakPolarHBondContact O-CG 2.96Å; T433-K436 PolarHBondContact O-N 3.45Å
434K94.6Very high95.8Very high64 Ų6443.4 Ų43.428%0.27827%0.271SS..Hα-helixtrans-60.2-37.9177.4-68.2169-179.1145.50113L426 T429 A430 K436 P438L426-K434 HydrophobicContact CB-CG 4.07Å; L426-K434 WeakPolarHBondContact O-CE 3.23Å; T429-K434 VanDerWaalsContact O-CE 3.31Å; T429-K434 WeakPolarHBondContact O-CE 3.27Å; T429-K434 PolarHBondContact O-NZ 3.15Å; T429-K434 WeakPolarHBondContact OG1-CE 3.36Å; T429-K434 WeakPolarHBondContact OG1-CG 3.35Å; A430-K434 PolarHBondContact O-N 2.93Å; A430-K434 VanDerWaalsContact O-N 3.07Å; K434-K436 VanDerWaalsContact C-N 3.31Å; K434-K436 PolarHBondContact O-N 3.44Å; K434-P438 WeakPolarHBondContact O-CD 3.39Å
435N95.9Very high95.8Very high91 Ų9140.4 Ų40.449%0.48725%0.248SC..THydrogen-bonded Turntrans-76.7-11-174.5-71.1-8.8000114.2A431 T433 L437 P438 T439A431-N435 VanDerWaalsContact O-CB 3.27Å; A431-N435 WeakPolarHBondContact O-CB 3.4Å; A431-N435 PolarHBondContact O-N 3.39Å; A431-N435 PolarHBondContact O-ND2 2.93Å; T433-N435 VanDerWaalsContact C-N 3.3Å; T433-N435 PolarHBondContact O-N 2.89Å; N435-L437 PolarHBondContact O-N 3.38Å; N435-P438 WeakPolarHBondContact O-CD 3.44Å; N435-T439 WeakPolarHBondContact O-CB 3.45Å; N435-T439 PolarHBondContact O-N 3.42Å; N435-T439 PolarHBondContact O-OG1 3.12Å; N435-T439 VanDerWaalsContact O-OG1 3.12Å
436K97.2Very high95.8Very high35 Ų3542.7 Ų42.715%0.15226%0.262CS..Hα-helixtrans-59.8-51.2-176.3-56.4-172.6-173177.10112.3L379 D380 M383 S432 T433 K434 T439 L440L379-K436 HydrophobicContact CD2-CD 3.92Å; L379-K436 HydrophobicContact CG-CD 4.03Å; D380-K436 WeakPolarHBondContact OD1-CE 3.19Å; D380-K436 IonicContact OD1-NZ 2.66Å; D380-K436 PolarHBondContact OD1-NZ 3.38Å; D380-K436 IonicContact OD2-NZ 3.66Å; D380-K436 PolarHBondContact OD2-NZ 3.01Å; M383-K436 HydrophobicContact CG-CB 3.77Å; M383-K436 HydrophobicContact CG-CD 4.3Å; M383-K436 VanDerWaalsContact SD-C 3.53Å; M383-K436 HydrophobicContact SD-CB 3.72Å; S432-K436 WeakPolarHBondContact O-CG 3.28Å; T433-K436 WeakPolarHBondContact O-CG 2.96Å; T433-K436 PolarHBondContact O-N 3.45Å; K434-K436 VanDerWaalsContact C-N 3.31Å; K434-K436 PolarHBondContact O-N 3.44Å; K436-T439 PolarHBondContact O-N 3.37Å; K436-L440 PolarHBondContact O-N 2.95Å
437L96.9Very high95.7Very high1 Ų142.8 Ų42.81%0.00526%0.263CS..Hα-helixtrans-64.1-47.3177.5175.565.9000112.7M383 L415 K419 F422 N435 T439 L440 I441M383-L437 HydrophobicContact CE-CD1 4.4Å; M383-L437 HydrophobicContact SD-CB 4.45Å; L415-L437 HydrophobicContact CB-CD1 4.14Å; L415-L437 HydrophobicContact CD1-CD1 3.98Å; L415-L437 HydrophobicContact CD2-CD1 3.86Å; L415-L437 HydrophobicContact CG-CD1 4.19Å; K419-L437 HydrophobicContact CB-CD2 4.46Å; F422-L437 HydrophobicContact CB-CD2 3.79Å; F422-L437 HydrophobicContact CD1-CB 3.89Å; F422-L437 HydrophobicContact CD1-CD2 3.57Å; F422-L437 HydrophobicContact CD1-CG 4.34Å; F422-L437 HydrophobicContact CD2-CB 4.47Å; F422-L437 HydrophobicContact CD2-CD2 3.81Å; F422-L437 HydrophobicContact CE1-CB 3.41Å; F422-L437 VanDerWaalsContact CE1-CB 3.41Å; F422-L437 HydrophobicContact CE1-CD2 4.02Å; F422-L437 HydrophobicContact CE1-CG 4.34Å; F422-L437 HydrophobicContact CE2-CB 4.06Å; F422-L437 HydrophobicContact CE2-CD2 4.23Å; F422-L437 HydrophobicContact CG-CB 4.39Å; F422-L437 HydrophobicContact CG-CD2 3.45Å; F422-L437 VanDerWaalsContact CG-CD2 3.45Å; F422-L437 HydrophobicContact CZ-CB 3.51Å; F422-L437 HydrophobicContact CZ-CD2 4.32Å; N435-L437 PolarHBondContact O-N 3.38Å; L437-T439 VanDerWaalsContact C-N 3.34Å; L437-T439 PolarHBondContact O-N 2.86Å; L437-L440 PolarHBondContact O-N 3Å; L437-I441 HydrophobicContact CD1-CD1 4.05Å; L437-I441 HydrophobicContact CD1-CG1 4.15Å; L437-I441 HydrophobicContact CG-CD1 3.9Å; L437-I441 HydrophobicContact CG-CG1 4.42Å; L437-I441 WeakPolarHBondContact O-CG1 3.44Å; L437-I441 PolarHBondContact O-N 3.25Å
438P96.2Very high95.7Very high33 Ų3336.2 Ų36.221%0.21423%0.232CC..Hα-helixtrans-51.2-46.4169.7-30.935.5000114.2K434 N435 L440 I441 T442K434-P438 WeakPolarHBondContact O-CD 3.39Å; N435-P438 WeakPolarHBondContact O-CD 3.44Å; P438-L440 PolarHBondContact O-N 3.33Å; P438-I441 PolarHBondContact O-N 3.48Å; P438-T442 PolarHBondContact O-N 3.47Å; P438-T442 PolarHBondContact O-OG1 3.02Å
439T97.1Very high95.9Very high95 Ų9534.9 Ų34.958%0.58322%0.217SC*.Hα-helixtrans-63.1-40.6177.3-66.50000111.8N435 K436 L437 T442 S443N435-T439 WeakPolarHBondContact O-CB 3.45Å; N435-T439 PolarHBondContact O-N 3.42Å; N435-T439 PolarHBondContact O-OG1 3.12Å; N435-T439 VanDerWaalsContact O-OG1 3.12Å; K436-T439 PolarHBondContact O-N 3.37Å; L437-T439 VanDerWaalsContact C-N 3.34Å; L437-T439 PolarHBondContact O-N 2.86Å; T439-T442 PolarHBondContact O-N 3.05Å; T439-S443 WeakPolarHBondContact O-CB 3.28Å; T439-S443 PolarHBondContact O-N 2.98Å
440L97.5Very high95.8Very high4 Ų439.1 Ų39.12%0.02124%0.235CC..Hα-helixtrans-64.6-43175-178.763.3000112.1Y340 M383 V390 L415 K436 L437 P438 S443 M444Y340-L440 VanDerWaalsContact OH-CD2 3.31Å; Y340-L440 WeakPolarHBondContact OH-CD2 3.03Å; M383-L440 HydrophobicContact CE-CD2 3.75Å; M383-L440 HydrophobicContact SD-CB 4.22Å; M383-L440 HydrophobicContact SD-CD2 4.01Å; V390-L440 HydrophobicContact CG2-CD1 4.49Å; L415-L440 HydrophobicContact CD1-CD2 3.98Å; L415-L440 HydrophobicContact CD1-CG 4.24Å; K436-L440 PolarHBondContact O-N 2.95Å; L437-L440 PolarHBondContact O-N 3Å; P438-L440 PolarHBondContact O-N 3.33Å; L440-S443 WeakPolarHBondContact O-CB 3.26Å; L440-S443 PolarHBondContact O-N 2.94Å; L440-M444 HydrophobicContact CD1-CE 4.01Å; L440-M444 HydrophobicContact CD2-CE 4.28Å; L440-M444 HydrophobicContact CG-CE 4.08Å; L440-M444 WeakPolarHBondContact O-CG 3.32Å; L440-M444 PolarHBondContact O-N 3.47Å
441I96.9Very high95.7Very high11 Ų1137.5 Ų37.56%0.05622%0.222CC..Hα-helixtrans-58.4-50.5174.5-70.7168.2000110L412 L415 K416 K419 L437 P438 S443 M444 E445L412-I441 HydrophobicContact CD1-CG2 3.95Å; L415-I441 HydrophobicContact CB-CD1 4.08Å; L415-I441 HydrophobicContact CB-CG1 3.84Å; L415-I441 HydrophobicContact CD1-CG1 4.12Å; K416-I441 HydrophobicContact CG-CG2 4.4Å; K419-I441 HydrophobicContact CD-CD1 4.13Å; L437-I441 HydrophobicContact CD1-CD1 4.05Å; L437-I441 HydrophobicContact CD1-CG1 4.15Å; L437-I441 HydrophobicContact CG-CD1 3.9Å; L437-I441 HydrophobicContact CG-CG1 4.42Å; L437-I441 WeakPolarHBondContact O-CG1 3.44Å; L437-I441 PolarHBondContact O-N 3.25Å; P438-I441 PolarHBondContact O-N 3.48Å; I441-S443 VanDerWaalsContact C-N 3.29Å; I441-S443 PolarHBondContact O-N 3.46Å; I441-M444 PolarHBondContact O-N 3.05Å; I441-E445 HydrophobicContact CG2-CG 4.41Å; I441-E445 WeakPolarHBondContact O-CG 3.47Å; I441-E445 PolarHBondContact O-N 3.24Å
442T95.9Very high95.7Very high74 Ų7434.3 Ų34.345%0.45420%0.195SC..Hα-helixtrans-59.8-38.9175.7-55.60000112P438 T439 E445 T446P438-T442 PolarHBondContact O-N 3.47Å; P438-T442 PolarHBondContact O-OG1 3.02Å; T439-T442 PolarHBondContact O-N 3.05Å; T442-E445 PolarHBondContact O-N 3.18Å; T442-T446 WeakPolarHBondContact O-CB 3.31Å; T442-T446 PolarHBondContact O-N 3.47Å; T442-T446 PolarHBondContact O-OG1 3.08Å
443S96.1Very high95.7Very high31 Ų3134.4 Ų34.422%0.21719%0.186CC..Hα-helixtrans-61.7-44177.1-165.80000111.9T439 L440 I441 I447T439-S443 WeakPolarHBondContact O-CB 3.28Å; T439-S443 PolarHBondContact O-N 2.98Å; L440-S443 WeakPolarHBondContact O-CB 3.26Å; L440-S443 PolarHBondContact O-N 2.94Å; I441-S443 VanDerWaalsContact C-N 3.29Å; I441-S443 PolarHBondContact O-N 3.46Å; S443-I447 WeakPolarHBondContact O-CG2 3.34Å; S443-I447 PolarHBondContact O-N 3Å; S443-I447 VanDerWaalsContact O-N 3.14Å
444M95.8Very high95.6Very high1 Ų137.2 Ų37.21%0.00520%0.199CC..Hα-helixtrans-65.7-43173.8-74.3-178178.800112.5Y340 V390 I408 I411 L412 L415 L440 I441 I447 G448Y340-M444 HydrophobicContact CE1-CE 4.46Å; V390-M444 HydrophobicContact CG2-CB 4.39Å; V390-M444 HydrophobicContact CG2-CE 4.3Å; V390-M444 HydrophobicContact CG2-CG 3.46Å; V390-M444 VanDerWaalsContact CG2-CG 3.46Å; I408-M444 HydrophobicContact CG2-CB 3.97Å; I408-M444 HydrophobicContact CG2-CG 4.29Å; I411-M444 HydrophobicContact CG2-CE 3.71Å; I411-M444 HydrophobicContact CG2-SD 3.85Å; L412-M444 HydrophobicContact CD1-CB 4.19Å; L415-M444 HydrophobicContact CD1-CE 4.06Å; L415-M444 HydrophobicContact CD1-SD 3.62Å; L440-M444 HydrophobicContact CD1-CE 4.01Å; L440-M444 HydrophobicContact CD2-CE 4.28Å; L440-M444 HydrophobicContact CG-CE 4.08Å; L440-M444 WeakPolarHBondContact O-CG 3.32Å; L440-M444 PolarHBondContact O-N 3.47Å; I441-M444 PolarHBondContact O-N 3.05Å; M444-I447 VanDerWaalsContact O-CG2 3.32Å; M444-I447 WeakPolarHBondContact O-CG2 3.45Å; M444-G448 PolarHBondContact O-N 3.08Å
445E95.3Very high95.7Very high17 Ų1735 Ų358%0.07919%0.19CC..Hα-helixtrans-63.6-46.7177.7-72.2178133.500112.1L412 K416 I441 T442 I447 G448 A449 M499 S502L412-E445 HydrophobicContact CD1-CG 3.9Å; L412-E445 HydrophobicContact CD2-CG 3.95Å; K416-E445 WeakPolarHBondContact CE-OE1 3.27Å; K416-E445 IonicContact NZ-OE1 2.86Å; K416-E445 PolarHBondContact NZ-OE1 3.35Å; I441-E445 HydrophobicContact CG2-CG 4.41Å; I441-E445 WeakPolarHBondContact O-CG 3.47Å; I441-E445 PolarHBondContact O-N 3.24Å; T442-E445 PolarHBondContact O-N 3.18Å; E445-I447 PolarHBondContact O-N 3.34Å; E445-G448 PolarHBondContact O-N 3.44Å; E445-A449 VanDerWaalsContact O-CB 3.29Å; E445-A449 WeakPolarHBondContact O-CB 3.41Å; E445-A449 PolarHBondContact O-N 3.41Å; E445-M499 HydrophobicContact CB-CG 4Å; E445-M499 HydrophobicContact CG-CG 4.11Å; E445-S502 VanDerWaalsContact CD-CB 3.5Å; E445-S502 VanDerWaalsContact OE1-CB 3.3Å; E445-S502 WeakPolarHBondContact OE1-CB 3.28Å; E445-S502 PolarHBondContact OE1-OG 2.87Å
446T94.9Very high95.7Very high65 Ų6530.7 Ų30.740%0.39917%0.167SC..Hα-helixtrans-66.3-37.9179.8-690000112.2T442 K450 Q503T442-T446 WeakPolarHBondContact O-CB 3.31Å; T442-T446 PolarHBondContact O-N 3.47Å; T442-T446 PolarHBondContact O-OG1 3.08Å; T446-K450 WeakPolarHBondContact O-CB 3.32Å; T446-K450 PolarHBondContact O-N 2.96Å; T446-K450 VanDerWaalsContact O-N 3.13Å; T446-Q503 PolarHBondContact OG1-OE1 2.95Å
447I94.2Very high95.6Very high3 Ų331.5 Ų31.52%0.01517%0.173CC..Hα-helixtrans-71.9-36.6175-167.155.7000112.1V390 R394 I397 I408 S443 M444 E445 K450 A451V390-I447 HydrophobicContact CG1-CB 4.4Å; V390-I447 HydrophobicContact CG1-CG2 4.06Å; V390-I447 HydrophobicContact CG2-CG2 4.44Å; R394-I447 HydrophobicContact CB-CD1 3.93Å; R394-I447 HydrophobicContact CB-CG1 4.23Å; R394-I447 HydrophobicContact CG-CD1 3.97Å; I397-I447 HydrophobicContact CD1-CD1 3.72Å; I397-I447 HydrophobicContact CD1-CG1 3.75Å; I408-I447 HydrophobicContact CD1-CG2 3.52Å; S443-I447 WeakPolarHBondContact O-CG2 3.34Å; S443-I447 PolarHBondContact O-N 3Å; S443-I447 VanDerWaalsContact O-N 3.14Å; M444-I447 VanDerWaalsContact O-CG2 3.32Å; M444-I447 WeakPolarHBondContact O-CG2 3.45Å; E445-I447 PolarHBondContact O-N 3.34Å; I447-K450 PolarHBondContact O-N 3.14Å; I447-A451 WeakPolarHBondContact O-CB 3.32Å; I447-A451 PolarHBondContact O-N 2.97Å
448G94.7Very high95.6Very high0 Ų033.2 Ų33.20%019%0.185CC..Hα-helixtrans-71.3-43.7179.200000113.1M444 E445 K450 A451 L452 M499M444-G448 PolarHBondContact O-N 3.08Å; E445-G448 PolarHBondContact O-N 3.44Å; G448-K450 VanDerWaalsContact C-N 3.29Å; G448-K450 PolarHBondContact O-N 3.3Å; G448-A451 WeakPolarHBondContact O-CB 3.3Å; G448-A451 PolarHBondContact O-N 3.33Å; G448-A451 VanDerWaalsContact O-N 3.14Å; G448-L452 WeakPolarHBondContact O-CG 3.41Å; G448-L452 PolarHBondContact O-N 2.82Å; G448-M499 VanDerWaalsContact C-SD 3.56Å; G448-M499 VanDerWaalsContact CA-SD 3.58Å
449A94.5Very high95.6Very high15 Ų1531.8 Ų31.812%0.12418%0.175CC..Hα-helixtrans-61.5-39.817300000111.3E445 L452 E453 M499 Q503E445-A449 VanDerWaalsContact O-CB 3.29Å; E445-A449 WeakPolarHBondContact O-CB 3.41Å; E445-A449 PolarHBondContact O-N 3.41Å; A449-L452 PolarHBondContact O-N 2.66Å; A449-E453 PolarHBondContact O-N 2.89Å; A449-M499 HydrophobicContact CB-CE 4.46Å; A449-M499 HydrophobicContact CB-CG 4.44Å; A449-M499 PolarHBondContact N-SD 3Å; A449-Q503 HydrophobicContact CB-CG 3.71Å
450K93.5Very high95.5Very high97 Ų9732 Ų3242%0.42217%0.168SC..Hα-helixtrans-62.7-40.3172.3172.7168.3168.7142.80112.6T446 I447 G448 E453 E454T446-K450 WeakPolarHBondContact O-CB 3.32Å; T446-K450 PolarHBondContact O-N 2.96Å; T446-K450 VanDerWaalsContact O-N 3.13Å; I447-K450 PolarHBondContact O-N 3.14Å; G448-K450 VanDerWaalsContact C-N 3.29Å; G448-K450 PolarHBondContact O-N 3.3Å; K450-E453 PolarHBondContact O-N 3.19Å; K450-E454 WeakPolarHBondContact CE-OE1 3.42Å; K450-E454 HydrophobicContact CG-CG 4.46Å; K450-E454 IonicContact NZ-OE1 3.15Å; K450-E454 PolarHBondContact NZ-OE1 3.42Å; K450-E454 PolarHBondContact O-N 3.1Å
451A95.1Very high95.3Very high0 Ų037.1 Ų37.10%020%0.195CC..Hα-helixtrans-62.3-43.8177.800000111.9I397 V405 I447 G448 F455I397-A451 HydrophobicContact CD1-CB 3.51Å; I397-A451 HydrophobicContact CG1-CB 3.84Å; V405-A451 HydrophobicContact CB-CB 3.78Å; V405-A451 HydrophobicContact CG2-CB 3.75Å; I447-A451 WeakPolarHBondContact O-CB 3.32Å; I447-A451 PolarHBondContact O-N 2.97Å; G448-A451 WeakPolarHBondContact O-CB 3.3Å; G448-A451 PolarHBondContact O-N 3.33Å; G448-A451 VanDerWaalsContact O-N 3.14Å; A451-F455 VanDerWaalsContact O-CB 3.29Å; A451-F455 WeakPolarHBondContact O-CB 3.28Å; A451-F455 PolarHBondContact O-N 3.18Å
452L95.8Very high95.1Very high0 Ų038.5 Ų38.50%020%0.203CC..Hα-helixtrans-60.8-43.8174.6-67.5-176.4000111.4V405 G448 A449 F455 A456 F485 L489 M499 L500 Y522V405-L452 HydrophobicContact CG1-CD2 4.49Å; G448-L452 WeakPolarHBondContact O-CG 3.41Å; G448-L452 PolarHBondContact O-N 2.82Å; A449-L452 PolarHBondContact O-N 2.66Å; L452-F455 PolarHBondContact O-N 2.79Å; L452-A456 PolarHBondContact O-N 3.13Å; L452-F485 HydrophobicContact CD2-CE1 3.91Å; L452-F485 HydrophobicContact CD2-CZ 3.8Å; L452-L489 HydrophobicContact CD2-CD1 4.27Å; L452-L489 HydrophobicContact CD2-CD2 4.27Å; L452-M499 HydrophobicContact CD1-CE 3.46Å; L452-M499 VanDerWaalsContact CD1-CE 3.46Å; L452-M499 HydrophobicContact CG-CE 4.12Å; L452-L500 HydrophobicContact CD1-CD1 4.32Å; L452-L500 HydrophobicContact CD1-CD2 4.09Å; L452-L500 HydrophobicContact CD1-CG 4.24Å; L452-Y522 WeakPolarHBondContact CA-OH 3.49Å; L452-Y522 HydrophobicContact CB-CD2 4.44Å; L452-Y522 HydrophobicContact CB-CE1 4.38Å; L452-Y522 HydrophobicContact CB-CE2 3.7Å; L452-Y522 HydrophobicContact CD1-CE1 4.47Å; L452-Y522 HydrophobicContact CD2-CE1 4Å; L452-Y522 VanDerWaalsContact O-CE2 3.31Å; L452-Y522 WeakPolarHBondContact O-CE2 3.45Å; L452-Y522 PolarHBondContact O-OH 2.92Å
453E94.7Very high94.8Very high84 Ų8437.3 Ų37.339%0.39320%0.196SC..Hα-helixtrans-66.5-46.9178.9-173.363.5-174.100112.8A449 K450 F455 A456 D457 K525A449-E453 PolarHBondContact O-N 2.89Å; K450-E453 PolarHBondContact O-N 3.19Å; E453-F455 VanDerWaalsContact C-N 3.29Å; E453-F455 PolarHBondContact O-N 2.91Å; E453-A456 PolarHBondContact O-N 2.98Å; E453-D457 PolarHBondContact O-N 2.97Å; E453-K525 IonicContact OE1-NZ 2.75Å; E453-K525 PolarHBondContact OE1-NZ 2.93Å; E453-K525 IonicContact OE2-NZ 2.66Å; E453-K525 PolarHBondContact OE2-NZ 3.21Å
454E95.4Very high94.2Very high61 Ų6139.1 Ų39.129%0.28520%0.204SC..Hα-helixtrans-66.3-29.3176.8-72.7-168.2175.400112.5I397 Y402 K450 S458I397-E454 WeakPolarHBondContact CG2-OE2 3.34Å; Y402-E454 HydrophobicContact CD1-CB 4.44Å; Y402-E454 HydrophobicContact CE1-CB 3.56Å; Y402-E454 PolarHBondContact OH-O 3.14Å; K450-E454 WeakPolarHBondContact CE-OE1 3.42Å; K450-E454 HydrophobicContact CG-CG 4.46Å; K450-E454 IonicContact NZ-OE1 3.15Å; K450-E454 PolarHBondContact NZ-OE1 3.42Å; K450-E454 PolarHBondContact O-N 3.1Å; E454-S458 WeakPolarHBondContact O-CB 3.35Å; E454-S458 PolarHBondContact O-N 3.01Å
455F96.5Very high93.7Very high17 Ų1744.3 Ų44.38%0.07523%0.226CC..Hα-helixtrans-65.9-45.8169.8176.2-97.7000112.1Y402 A451 L452 E453 D457 S458 I459 F485 Y522 V526Y402-F455 HydrophobicContact CD1-CB 4.03Å; Y402-F455 HydrophobicContact CD2-CB 4.24Å; Y402-F455 AromaticContact CD2-CD2 3.81Å; Y402-F455 HydrophobicContact CD2-CD2 3.81Å; Y402-F455 HydrophobicContact CG-CB 3.82Å; Y402-F455 AromaticContact CG-CD2 3.89Å; Y402-F455 HydrophobicContact CG-CD2 3.89Å; Y402-F455 HydrophobicContact CG-CG 4.36Å; A451-F455 VanDerWaalsContact O-CB 3.29Å; A451-F455 WeakPolarHBondContact O-CB 3.28Å; A451-F455 PolarHBondContact O-N 3.18Å; L452-F455 PolarHBondContact O-N 2.79Å; E453-F455 VanDerWaalsContact C-N 3.29Å; E453-F455 PolarHBondContact O-N 2.91Å; F455-D457 VanDerWaalsContact C-N 3.29Å; F455-D457 PolarHBondContact O-N 3.41Å; F455-S458 PolarHBondContact O-N 3.46Å; F455-S458 PolarHBondContact O-OG 2.86Å; F455-I459 HydrophobicContact CD1-CD1 4Å; F455-I459 HydrophobicContact CE1-CD1 3.39Å; F455-I459 HydrophobicContact CE2-CD1 4.11Å; F455-I459 HydrophobicContact CZ-CD1 3.47Å; F455-I459 VanDerWaalsContact CZ-CD1 3.47Å; F455-I459 HydrophobicContact CZ-CG1 4.48Å; F455-I459 PolarHBondContact O-N 3.3Å; F455-F485 AromaticContact CD1-CD1 3.79Å; F455-F485 HydrophobicContact CD1-CD1 3.79Å; F455-F485 AromaticContact CD1-CE1 3.74Å; F455-F485 HydrophobicContact CD1-CE1 3.74Å; F455-F485 HydrophobicContact CD1-CZ 4.41Å; F455-F485 HydrophobicContact CD2-CD1 4.44Å; F455-F485 HydrophobicContact CD2-CG 4.42Å; F455-F485 HydrophobicContact CE1-CB 4.27Å; F455-F485 AromaticContact CE1-CD1 3.25Å; F455-F485 HydrophobicContact CE1-CD1 3.25Å; F455-F485 AromaticContact CE1-CE1 3.71Å; F455-F485 HydrophobicContact CE1-CE1 3.71Å; F455-F485 AromaticContact CE1-CG 3.86Å; F455-F485 HydrophobicContact CE1-CG 3.86Å; F455-F485 HydrophobicContact CE2-CB 4.01Å; F455-F485 AromaticContact CE2-CD1 4Å; F455-F485 HydrophobicContact CE2-CD1 4Å; F455-F485 HydrophobicContact CE2-CD2 4.13Å; F455-F485 AromaticContact CE2-CG 3.77Å; F455-F485 HydrophobicContact CE2-CG 3.77Å; F455-F485 HydrophobicContact CG-CD1 4.34Å; F455-F485 HydrophobicContact CG-CE1 4.14Å; F455-F485 HydrophobicContact CG-CZ 4.38Å; F455-F485 HydrophobicContact CZ-CB 3.52Å; F455-F485 AromaticContact CZ-CD1 3.35Å; F455-F485 HydrophobicContact CZ-CD1 3.35Å; F455-F485 HydrophobicContact CZ-CD2 4.24Å; F455-F485 HydrophobicContact CZ-CE1 4.11Å; F455-F485 AromaticContact CZ-CG 3.42Å; F455-F485 HydrophobicContact CZ-CG 3.42Å; F455-F485 VanDerWaalsContact CZ-CG 3.42Å; F455-Y522 WeakPolarHBondContact CD1-OH 3.34Å; F455-V526 HydrophobicContact CD1-CG2 4.45Å; F455-V526 HydrophobicContact CE1-CG1 4.07Å; F455-V526 HydrophobicContact CE1-CG2 4.49Å
456A96.6Very high93Very high0 Ų050.7 Ų50.70%026%0.256CS..Hα-helixtrans-62.7-37.1177.300000112.1L452 E453 K460 Y522 V526 N529L452-A456 PolarHBondContact O-N 3.13Å; E453-A456 PolarHBondContact O-N 2.98Å; A456-K460 PolarHBondContact O-N 2.84Å; A456-Y522 HydrophobicContact CB-CE2 4.04Å; A456-V526 HydrophobicContact CB-CG2 3.96Å; A456-N529 PolarHBondContact O-ND2 3.48Å
457D95.3Very high92.6Very high53 Ų5355.8 Ų55.828%0.28327%0.269SS..Hα-helixtrans-76.9-28.5174.6-100.9-13.9000113.3E453 F455 K460 N461E453-D457 PolarHBondContact O-N 2.97Å; F455-D457 VanDerWaalsContact C-N 3.29Å; F455-D457 PolarHBondContact O-N 3.41Å; D457-K460 WeakPolarHBondContact O-CB 3.41Å; D457-K460 PolarHBondContact O-N 3.23Å; D457-K460 WeakPolarHBondContact OD1-CD 3.41Å; D457-K460 IonicContact OD1-NZ 3.7Å; D457-K460 PolarHBondContact OD1-NZ 2.68Å; D457-N461 WeakPolarHBondContact O-CB 3.29Å; D457-N461 PolarHBondContact O-N 3.22Å; D457-N461 PolarHBondContact O-ND2 3.14Å
458S95.1Very high92.2Very high37 Ų3758.7 Ų58.726%0.25929%0.285SS..Hα-helixtrans-65-43.6173.9750000111.2Y402 E454 F455 K460 N461 D462Y402-S458 WeakPolarHBondContact CE2-OG 3.29Å; E454-S458 WeakPolarHBondContact O-CB 3.35Å; E454-S458 PolarHBondContact O-N 3.01Å; F455-S458 PolarHBondContact O-N 3.46Å; F455-S458 PolarHBondContact O-OG 2.86Å; S458-K460 VanDerWaalsContact C-N 3.29Å; S458-K460 PolarHBondContact O-N 2.93Å; S458-N461 CarbonylContact O-C 3.59Å; S458-N461 PolarHBondContact O-N 2.68Å; S458-D462 PolarHBondContact O-N 2.82Å
459I96.1Very high92.2Very high3 Ų359.3 Ų59.32%0.01529%0.288CS..Hα-helixtrans-59.7-39.2173.4-72.5168.9000112.3F455 L478 A482 V526 N529 L530 N533F455-I459 HydrophobicContact CD1-CD1 4Å; F455-I459 HydrophobicContact CE1-CD1 3.39Å; F455-I459 HydrophobicContact CE2-CD1 4.11Å; F455-I459 HydrophobicContact CZ-CD1 3.47Å; F455-I459 VanDerWaalsContact CZ-CD1 3.47Å; F455-I459 HydrophobicContact CZ-CG1 4.48Å; F455-I459 PolarHBondContact O-N 3.3Å; I459-L478 HydrophobicContact CG1-CD1 4.08Å; I459-A482 HydrophobicContact CD1-CB 3.6Å; I459-A482 HydrophobicContact CG1-CB 4.42Å; I459-V526 HydrophobicContact CD1-CG1 3.72Å; I459-N529 HydrophobicContact CG2-CB 4.26Å; I459-L530 HydrophobicContact CG2-CB 3.79Å; I459-L530 HydrophobicContact CG2-CD1 4.17Å; I459-N533 WeakPolarHBondContact O-CB 3.37Å; I459-N533 PolarHBondContact O-ND2 3.39Å
460K95.3Very high92.1Very high99 Ų9959.9 Ų59.943%0.4329%0.29SS..Hα-helixtrans-65.9-40.2178.5-177.6170134-145.50112.2A456 D457 S458 N529 N533A456-K460 PolarHBondContact O-N 2.84Å; D457-K460 WeakPolarHBondContact O-CB 3.41Å; D457-K460 PolarHBondContact O-N 3.23Å; D457-K460 WeakPolarHBondContact OD1-CD 3.41Å; D457-K460 IonicContact OD1-NZ 3.7Å; D457-K460 PolarHBondContact OD1-NZ 2.68Å; S458-K460 VanDerWaalsContact C-N 3.29Å; S458-K460 PolarHBondContact O-N 2.93Å; K460-N529 HydrophobicContact CB-CB 3.97Å; K460-N533 PolarHBondContact O-ND2 3.45Å
461N93.3Very high92.1Very high111 Ų11164 Ų6459%0.59431%0.308SS*.Hα-helixtrans-98.65.5-173.2-60.4-58000114.1D457 S458D457-N461 WeakPolarHBondContact O-CB 3.29Å; D457-N461 PolarHBondContact O-N 3.22Å; D457-N461 PolarHBondContact O-ND2 3.14Å; S458-N461 CarbonylContact O-C 3.59Å; S458-N461 PolarHBondContact O-N 2.68Å
462D93.5Very high92Very high41 Ų4166.2 Ų66.222%0.21932%0.32CS..  trans-60126.2-178.7-177-102.1000111.8S458 D464 H476 L478 N533 K537S458-D462 PolarHBondContact O-N 2.82Å; D462-D464 PolarHBondContact O-N 3.47Å; D462-H476 IonicContact OD1-CE1 2.71Å; D462-L478 HydrophobicContact CB-CD1 3.88Å; D462-L478 HydrophobicContact CB-CD2 3.71Å; D462-L478 HydrophobicContact CB-CG 4.43Å; D462-N533 PolarHBondContact N-ND2 2.83Å; D462-N533 PolarHBondContact O-ND2 2.89Å; D462-N533 PolarHBondContact O-OD1 2.85Å; D462-K537 PolarHBondContact O-NZ 2.72Å; D462-K537 WeakPolarHBondContact OD1-CE 3.28Å; D462-K537 IonicContact OD1-NZ 3.55Å; D462-K537 PolarHBondContact OD1-NZ 3.34Å
463P90.1Very high92Very high48 Ų4866.2 Ų66.231%0.31232%0.32SS..  trans-67.8131.6-163.524.5-34.9000114K465 K537P463-K465 HydrophobicContact CB-CD 4.39Å; P463-K465 HydrophobicContact CB-CG 4.2Å; P463-K465 PolarHBondContact O-N 2.89Å; P463-K537 VanDerWaalsContact C-NZ 3.32Å; P463-K537 PolarHBondContact O-NZ 3.2Å
464D83.3Confident92Very high69 Ų6964 Ų6437%0.36931%0.312SS..  trans-8745.4175.352.8-2.6000112.6D462 S536 K537 V540D462-D464 PolarHBondContact O-N 3.47Å; D464-S536 VanDerWaalsContact OD2-CB 3.32Å; D464-S536 WeakPolarHBondContact OD2-CB 3.23Å; D464-S536 PolarHBondContact OD2-OG 2.89Å; D464-K537 HydrophobicContact CB-CB 4.49Å; D464-K537 HydrophobicContact CB-CG 3.85Å; D464-V540 HydrophobicContact CB-CG2 4.18Å; D464-V540 VanDerWaalsContact O-CG2 3.25Å; D464-V540 WeakPolarHBondContact O-CG2 3.19Å
465K85.2Confident92.1Very high110 Ų11062.5 Ų62.548%0.47831%0.307SS..  trans-84.4138.4176.9-63.7178.4-167.2171.90111.1P463 Y467 N468P463-K465 HydrophobicContact CB-CD 4.39Å; P463-K465 HydrophobicContact CB-CG 4.2Å; P463-K465 PolarHBondContact O-N 2.89Å; K465-Y467 VanDerWaalsContact C-N 3.25Å; K465-Y467 HydrophobicContact CB-CD1 4.01Å; K465-Y467 HydrophobicContact CB-CE1 3.78Å; K465-Y467 HydrophobicContact CD-CD1 4.47Å; K465-Y467 HydrophobicContact CD-CE1 3.5Å; K465-Y467 VanDerWaalsContact CD-CE1 3.5Å; K465-Y467 HydrophobicContact CG-CE1 4.29Å; K465-Y467 PolarHBondContact O-N 3.27Å; K465-Y467 VanDerWaalsContact O-N 3.08Å; K465-N468 PolarHBondContact O-N 2.79Å
466E80.3Confident92.1Very high151 Ų15162.1 Ų62.171%0.70631%0.306SS*.G310 helixtrans-50.1-38.2-177.1-165.7-16515300114.3N468 M469 V540E466-N468 PolarHBondContact O-N 2.71Å; E466-M469 WeakPolarHBondContact O-CB 3.38Å; E466-M469 PolarHBondContact O-N 3.19Å; E466-V540 HydrophobicContact CB-CG1 4.1Å; E466-V540 HydrophobicContact CG-CG1 4.3Å
467Y85.5Confident92Very high173 Ų17368.5 Ų68.568%0.67834%0.336SS*.G310 helixtrans-68.8-17.2-179.471.5-102.7000114.5K465K465-Y467 VanDerWaalsContact C-N 3.25Å; K465-Y467 HydrophobicContact CB-CD1 4.01Å; K465-Y467 HydrophobicContact CB-CE1 3.78Å; K465-Y467 HydrophobicContact CD-CD1 4.47Å; K465-Y467 HydrophobicContact CD-CE1 3.5Å; K465-Y467 VanDerWaalsContact CD-CE1 3.5Å; K465-Y467 HydrophobicContact CG-CE1 4.29Å; K465-Y467 PolarHBondContact O-N 3.27Å; K465-Y467 VanDerWaalsContact O-N 3.08Å
468N87.3Confident92Very high63 Ų6367 Ų6734%0.33733%0.327SS..G310 helixtrans-89-10.2171.8-802.6000112.5K465 E466 H476K465-N468 PolarHBondContact O-N 2.79Å; E466-N468 PolarHBondContact O-N 2.71Å; N468-H476 PolarHBondContact O-NE2 3.06Å
469M93.3Very high92.1Very high14 Ų1465.2 Ų65.27%0.06932%0.315CS..SBendtrans-84.5126.2-174.1-64.8-56-54.100111.8E466 K471 K537 V540 Y541 F550E466-M469 WeakPolarHBondContact O-CB 3.38Å; E466-M469 PolarHBondContact O-N 3.19Å; M469-K471 PolarHBondContact O-N 3.3Å; M469-K537 HydrophobicContact CE-CB 3.83Å; M469-K537 WeakPolarHBondContact CE-O 3.27Å; M469-K537 HydrophobicContact SD-CB 3.68Å; M469-K537 HydrophobicContact SD-CD 3.85Å; M469-K537 HydrophobicContact SD-CG 3.98Å; M469-V540 HydrophobicContact CG-CB 4.09Å; M469-V540 HydrophobicContact CG-CG1 3.93Å; M469-V540 HydrophobicContact CG-CG2 4.39Å; M469-Y541 HydrophobicContact CB-CE1 4.5Å; M469-Y541 HydrophobicContact CE-CD2 4.35Å; M469-Y541 HydrophobicContact CE-CE1 4.47Å; M469-Y541 HydrophobicContact CE-CE2 3.41Å; M469-Y541 VanDerWaalsContact CE-CE2 3.41Å; M469-Y541 VanDerWaalsContact CE-OH 3.32Å; M469-Y541 WeakPolarHBondContact CE-OH 3.3Å; M469-F550 HydrophobicContact CE-CD2 4.36Å; M469-F550 HydrophobicContact CE-CE1 4.11Å; M469-F550 HydrophobicContact CE-CE2 3.86Å; M469-F550 HydrophobicContact CE-CZ 3.72Å
470P93.9Very high92.1Very high26 Ų2666.6 Ų66.617%0.16933%0.325CS..  trans-63.9119175.5-21.332.2000112D472 G473 T474 Y541P470-D472 VanDerWaalsContact CB-OD1 3.27Å; P470-D472 WeakPolarHBondContact CB-OD1 3.37Å; P470-D472 PolarHBondContact O-N 3.31Å; P470-D472 VanDerWaalsContact O-N 3.09Å; P470-G473 PolarHBondContact O-N 2.87Å; P470-T474 HydrophobicContact CB-CG2 3.78Å; P470-T474 HydrophobicContact CG-CG2 4.22Å; P470-Y541 WeakPolarHBondContact O-CE1 3.32Å; P470-Y541 PolarHBondContact O-OH 2.8Å
471K92.5Very high92.1Very high183 Ų18365.5 Ų65.580%0.79632%0.324SS*.THydrogen-bonded Turntrans-65-17.4-174.6-61.7-173178.2-173.10114.3M469M469-K471 PolarHBondContact O-N 3.3Å
472D93.8Very high92.2Very high48 Ų4860.3 Ų60.326%0.25730%0.296SS..THydrogen-bonded Turntrans-93.4-7.6176.565.1-11.5000113.3P470 T474 V646 W647 A648P470-D472 VanDerWaalsContact CB-OD1 3.27Å; P470-D472 WeakPolarHBondContact CB-OD1 3.37Å; P470-D472 PolarHBondContact O-N 3.31Å; P470-D472 VanDerWaalsContact O-N 3.09Å; D472-T474 WeakPolarHBondContact OD1-CB 3.45Å; D472-T474 VanDerWaalsContact OD1-CG2 3.32Å; D472-T474 WeakPolarHBondContact OD1-CG2 3.47Å; D472-T474 PolarHBondContact OD1-N 3.02Å; D472-T474 WeakPolarHBondContact OD2-CB 3.49Å; D472-V646 WeakPolarHBondContact CA-O 3.09Å; D472-V646 VanDerWaalsContact CB-O 3.32Å; D472-V646 WeakPolarHBondContact CB-O 3.41Å; D472-W647 CarbonylContact O-C 3.58Å; D472-W647 VanDerWaalsContact O-CA 3.28Å; D472-W647 WeakPolarHBondContact O-CA 3.2Å; D472-A648 HydrophobicContact CB-CB 3.92Å; D472-A648 PolarHBondContact O-N 2.94Å; D472-A648 VanDerWaalsContact OD2-CB 3.32Å; D472-A648 WeakPolarHBondContact OD2-CB 3.2Å
473G94.5Very high92.4Very high0 Ų058.3 Ų58.30%029%0.286CS..  trans71.923.5-174.200000114.2P470 F550 N553P470-G473 PolarHBondContact O-N 2.87Å; G473-F550 VanDerWaalsContact O-CA 3.29Å; G473-F550 WeakPolarHBondContact O-CA 3.29Å; G473-N553 PolarHBondContact O-ND2 2.95Å
474T95.7Very high92.6Very high36 Ų3660.4 Ų60.422%0.22129%0.294CS..  trans-69-177.1176.6-159.10000113.3P470 D472 H476 F550 N554 P650P470-T474 HydrophobicContact CB-CG2 3.78Å; P470-T474 HydrophobicContact CG-CG2 4.22Å; D472-T474 WeakPolarHBondContact OD1-CB 3.45Å; D472-T474 VanDerWaalsContact OD1-CG2 3.32Å; D472-T474 WeakPolarHBondContact OD1-CG2 3.47Å; D472-T474 PolarHBondContact OD1-N 3.02Å; D472-T474 WeakPolarHBondContact OD2-CB 3.49Å; T474-H476 PolarHBondContact O-N 2.7Å; T474-F550 WeakPolarHBondContact O-CD2 3.31Å; T474-N554 PolarHBondContact O-ND2 3.31Å; T474-P650 WeakPolarHBondContact OG1-CG 3.43Å
475V97Very high93.2Very high30 Ų3057.6 Ų57.618%0.18228%0.278CS..  trans-61.3132175.3-177.90000109.8T479 N553 Y557V475-T479 HydrophobicContact CG1-CG2 4.05Å; V475-N553 HydrophobicContact CG2-CB 4.29Å; V475-Y557 HydrophobicContact CG1-CD1 4.21Å; V475-Y557 HydrophobicContact CG1-CD2 4.11Å; V475-Y557 HydrophobicContact CG1-CG 3.89Å; V475-Y557 HydrophobicContact CG2-CD2 4.06Å; V475-Y557 HydrophobicContact CG2-CG 4.16Å
476H96.4Very high93.7Very high10 Ų1052.4 Ų52.45%0.04626%0.256CS..  trans-79144.5179.2-167-83000110.6D462 N468 T474 L478 T479 S480 L534 K537 F550 N554D462-H476 IonicContact OD1-CE1 2.71Å; N468-H476 PolarHBondContact O-NE2 3.06Å; T474-H476 PolarHBondContact O-N 2.7Å; H476-L478 VanDerWaalsContact C-N 3.29Å; H476-L478 WeakPolarHBondContact ND1-CB 3.48Å; H476-L478 PolarHBondContact ND1-N 2.95Å; H476-L478 VanDerWaalsContact ND1-N 3.17Å; H476-L478 PolarHBondContact O-N 3.1Å; H476-T479 WeakPolarHBondContact O-CA 3.4Å; H476-T479 VanDerWaalsContact O-CB 3.23Å; H476-T479 WeakPolarHBondContact O-CB 3.49Å; H476-T479 PolarHBondContact O-N 3.17Å; H476-S480 PolarHBondContact O-N 3.11Å; H476-L534 HydrophobicContact CB-CD2 4.3Å; H476-K537 VanDerWaalsContact CE1-CE 3.41Å; H476-K537 WeakPolarHBondContact CE1-CE 3.4Å; H476-K537 WeakPolarHBondContact NE2-CD 3.39Å; H476-K537 WeakPolarHBondContact NE2-CE 3.49Å; H476-F550 HydrophobicContact CB-CE2 3.92Å; H476-F550 HydrophobicContact CB-CZ 3.97Å; H476-N554 PolarHBondContact N-OD1 3.46Å
477E94.3Very high94.4Very high134 Ų13448.2 Ų48.263%0.62624%0.236SC*.Hα-helixtrans-58.5-40.5-177.4-158.4-159.912900112.4T479 S480 N481E477-T479 PolarHBondContact O-N 3.33Å; E477-T479 VanDerWaalsContact O-N 3.11Å; E477-S480 PolarHBondContact O-N 3.32Å; E477-S480 VanDerWaalsContact O-N 3.08Å; E477-S480 PolarHBondContact O-OG 3.34Å; E477-N481 WeakPolarHBondContact O-CB 3.23Å; E477-N481 PolarHBondContact O-N 3.46Å; E477-N481 PolarHBondContact O-OD1 3.23Å; E477-N481 PolarHBondContact OE1-ND2 3.42Å
478L95.5Very high94.7Very high20 Ų2043.5 Ų43.511%0.10522%0.22CC..Hα-helixtrans-47.6-38.5169.7-169.470.6000113.4I459 D462 H476 A482 L530I459-L478 HydrophobicContact CG1-CD1 4.08Å; D462-L478 HydrophobicContact CB-CD1 3.88Å; D462-L478 HydrophobicContact CB-CD2 3.71Å; D462-L478 HydrophobicContact CB-CG 4.43Å; H476-L478 VanDerWaalsContact C-N 3.29Å; H476-L478 WeakPolarHBondContact ND1-CB 3.48Å; H476-L478 PolarHBondContact ND1-N 2.95Å; H476-L478 VanDerWaalsContact ND1-N 3.17Å; H476-L478 PolarHBondContact O-N 3.1Å; L478-A482 WeakPolarHBondContact O-CB 3.25Å; L478-A482 PolarHBondContact O-N 3.44Å; L478-L530 HydrophobicContact CD2-CD1 3.92Å; L478-L530 HydrophobicContact CG-CD1 3.91Å
479T97.3Very high95Very high0 Ų040.7 Ų40.70%021%0.205CC..Hα-helixtrans-72.1-42.5179.7-56.80000111.8V475 H476 E477 I483 L530 N554 Y557 I558V475-T479 HydrophobicContact CG1-CG2 4.05Å; H476-T479 WeakPolarHBondContact O-CA 3.4Å; H476-T479 VanDerWaalsContact O-CB 3.23Å; H476-T479 WeakPolarHBondContact O-CB 3.49Å; H476-T479 PolarHBondContact O-N 3.17Å; E477-T479 PolarHBondContact O-N 3.33Å; E477-T479 VanDerWaalsContact O-N 3.11Å; T479-I483 WeakPolarHBondContact O-CB 3.49Å; T479-I483 VanDerWaalsContact O-CG1 3.23Å; T479-I483 WeakPolarHBondContact O-CG1 3.31Å; T479-I483 PolarHBondContact O-N 3.08Å; T479-L530 HydrophobicContact CG2-CD2 4.39Å; T479-N554 WeakPolarHBondContact CB-OD1 3.45Å; T479-N554 HydrophobicContact CG2-CB 4.41Å; T479-N554 PolarHBondContact OG1-OD1 2.87Å; T479-Y557 HydrophobicContact CG2-CD1 3.81Å; T479-Y557 HydrophobicContact CG2-CE1 4.46Å; T479-I558 HydrophobicContact CG2-CD1 4.06Å; T479-I558 HydrophobicContact CG2-CG1 3.7Å
480S96Very high94.9Very high33 Ų3341 Ų4123%0.23121%0.207CC..Hα-helixtrans-67.3-43.2175.145.70000111.6H476 E477 I483 L484H476-S480 PolarHBondContact O-N 3.11Å; E477-S480 PolarHBondContact O-N 3.32Å; E477-S480 VanDerWaalsContact O-N 3.08Å; E477-S480 PolarHBondContact O-OG 3.34Å; S480-I483 PolarHBondContact O-N 3.41Å; S480-L484 WeakPolarHBondContact O-CB 3.23Å; S480-L484 PolarHBondContact O-N 2.95Å
481N94.8Very high94.8Very high75 Ų7545.3 Ų45.340%0.40123%0.228SC..Hα-helixtrans-70.5-39.5-175.9-60.52.2000111.1E477 L484 F485E477-N481 WeakPolarHBondContact O-CB 3.23Å; E477-N481 PolarHBondContact O-N 3.46Å; E477-N481 PolarHBondContact O-OD1 3.23Å; E477-N481 PolarHBondContact OE1-ND2 3.42Å; N481-L484 PolarHBondContact O-N 3.32Å; N481-F485 PolarHBondContact O-N 2.88Å
482A96.6Very high94.8Very high2 Ų238.3 Ų38.32%0.01720%0.198CC..Hα-helixtrans-62.5-43.4173.500000112.4I459 L478 L486 L530I459-A482 HydrophobicContact CD1-CB 3.6Å; I459-A482 HydrophobicContact CG1-CB 4.42Å; L478-A482 WeakPolarHBondContact O-CB 3.25Å; L478-A482 PolarHBondContact O-N 3.44Å; A482-L486 WeakPolarHBondContact O-CB 3.45Å; A482-L486 VanDerWaalsContact O-CG 3.24Å; A482-L486 WeakPolarHBondContact O-CG 3.38Å; A482-L486 PolarHBondContact O-N 2.73Å; A482-L486 VanDerWaalsContact O-N 3.13Å; A482-L530 HydrophobicContact CB-CD1 4.43Å; A482-L530 HydrophobicContact CB-CD2 3.97Å
483I96.6Very high94.8Very high0 Ų038 Ų380%020%0.195CC..Hα-helixtrans-67.7-42.2177.7-72.3-67.3000111.5T479 S480 L486 Q487 L527 Y557 I558 S561T479-I483 WeakPolarHBondContact O-CB 3.49Å; T479-I483 VanDerWaalsContact O-CG1 3.23Å; T479-I483 WeakPolarHBondContact O-CG1 3.31Å; T479-I483 PolarHBondContact O-N 3.08Å; S480-I483 PolarHBondContact O-N 3.41Å; I483-L486 PolarHBondContact O-N 3.18Å; I483-Q487 HydrophobicContact CG2-CG 4.49Å; I483-Q487 WeakPolarHBondContact O-CG 3.36Å; I483-Q487 PolarHBondContact O-N 3.05Å; I483-L527 HydrophobicContact CD1-CD2 4.19Å; I483-Y557 HydrophobicContact CB-CE1 4.13Å; I483-Y557 HydrophobicContact CG1-CD1 4.41Å; I483-Y557 HydrophobicContact CG1-CE1 4.14Å; I483-Y557 HydrophobicContact CG2-CE1 4.15Å; I483-I558 HydrophobicContact CD1-CG1 4.35Å; I483-I558 HydrophobicContact CD1-CG2 4.36Å; I483-I558 HydrophobicContact CG1-CG1 4.43Å; I483-S561 VanDerWaalsContact CG2-CB 3.49Å
484L94.9Very high94.7Very high92 Ų9245 Ų4548%0.48223%0.228SC..Hα-helixtrans-60.3-48.2178178.361.1000111.6S480 N481 L486 Q487 Q488S480-L484 WeakPolarHBondContact O-CB 3.23Å; S480-L484 PolarHBondContact O-N 2.95Å; N481-L484 PolarHBondContact O-N 3.32Å; L484-L486 VanDerWaalsContact C-N 3.35Å; L484-L486 PolarHBondContact O-N 2.61Å; L484-Q487 WeakPolarHBondContact O-CB 3.25Å; L484-Q487 PolarHBondContact O-N 3.23Å; L484-Q487 VanDerWaalsContact O-N 3.14Å; L484-Q488 WeakPolarHBondContact O-CG 3.29Å; L484-Q488 PolarHBondContact O-N 3.33Å
485F95.3Very high94.6Very high10 Ų1043.8 Ų43.84%0.04422%0.221CC..Hα-helixtrans-60.6-43.1176.5-179.8-90.3000112.1V405 L452 F455 N481 Q487 Q488 L489V405-F485 HydrophobicContact CG1-CE2 3.96Å; V405-F485 HydrophobicContact CG1-CZ 3.86Å; L452-F485 HydrophobicContact CD2-CE1 3.91Å; L452-F485 HydrophobicContact CD2-CZ 3.8Å; F455-F485 AromaticContact CD1-CD1 3.79Å; F455-F485 HydrophobicContact CD1-CD1 3.79Å; F455-F485 AromaticContact CD1-CE1 3.74Å; F455-F485 HydrophobicContact CD1-CE1 3.74Å; F455-F485 HydrophobicContact CD1-CZ 4.41Å; F455-F485 HydrophobicContact CD2-CD1 4.44Å; F455-F485 HydrophobicContact CD2-CG 4.42Å; F455-F485 HydrophobicContact CE1-CB 4.27Å; F455-F485 AromaticContact CE1-CD1 3.25Å; F455-F485 HydrophobicContact CE1-CD1 3.25Å; F455-F485 AromaticContact CE1-CE1 3.71Å; F455-F485 HydrophobicContact CE1-CE1 3.71Å; F455-F485 AromaticContact CE1-CG 3.86Å; F455-F485 HydrophobicContact CE1-CG 3.86Å; F455-F485 HydrophobicContact CE2-CB 4.01Å; F455-F485 AromaticContact CE2-CD1 4Å; F455-F485 HydrophobicContact CE2-CD1 4Å; F455-F485 HydrophobicContact CE2-CD2 4.13Å; F455-F485 AromaticContact CE2-CG 3.77Å; F455-F485 HydrophobicContact CE2-CG 3.77Å; F455-F485 HydrophobicContact CG-CD1 4.34Å; F455-F485 HydrophobicContact CG-CE1 4.14Å; F455-F485 HydrophobicContact CG-CZ 4.38Å; F455-F485 HydrophobicContact CZ-CB 3.52Å; F455-F485 AromaticContact CZ-CD1 3.35Å; F455-F485 HydrophobicContact CZ-CD1 3.35Å; F455-F485 HydrophobicContact CZ-CD2 4.24Å; F455-F485 HydrophobicContact CZ-CE1 4.11Å; F455-F485 AromaticContact CZ-CG 3.42Å; F455-F485 HydrophobicContact CZ-CG 3.42Å; F455-F485 VanDerWaalsContact CZ-CG 3.42Å; N481-F485 PolarHBondContact O-N 2.88Å; F485-Q487 VanDerWaalsContact C-N 3.28Å; F485-Q487 PolarHBondContact O-N 3.13Å; F485-Q488 PolarHBondContact O-N 2.6Å; F485-L489 HydrophobicContact CE1-CD2 4.46Å; F485-L489 WeakPolarHBondContact O-CB 3.42Å; F485-L489 PolarHBondContact O-N 3.08Å
486L95.8Very high94.5Very high1 Ų142.4 Ų42.41%0.00521%0.212CC..Hα-helixtrans-64-33.5175.9-72176.1000112.3A482 I483 L484 L489 I523 V526 L527 L567A482-L486 WeakPolarHBondContact O-CB 3.45Å; A482-L486 VanDerWaalsContact O-CG 3.24Å; A482-L486 WeakPolarHBondContact O-CG 3.38Å; A482-L486 PolarHBondContact O-N 2.73Å; A482-L486 VanDerWaalsContact O-N 3.13Å; I483-L486 PolarHBondContact O-N 3.18Å; L484-L486 VanDerWaalsContact C-N 3.35Å; L484-L486 PolarHBondContact O-N 2.61Å; L486-L489 PolarHBondContact O-N 3.15Å; L486-I523 HydrophobicContact CD1-CG2 4.34Å; L486-I523 HydrophobicContact CD2-CB 4.47Å; L486-I523 HydrophobicContact CD2-CG1 4.1Å; L486-I523 HydrophobicContact CD2-CG2 4.25Å; L486-V526 HydrophobicContact CD1-CB 4.39Å; L486-V526 HydrophobicContact CD1-CG1 3.85Å; L486-V526 HydrophobicContact CD2-CB 4.3Å; L486-V526 HydrophobicContact CD2-CG1 4.17Å; L486-V526 HydrophobicContact CD2-CG2 4.44Å; L486-V526 HydrophobicContact CG-CG1 4.19Å; L486-L527 HydrophobicContact CD1-CD2 4.01Å; L486-L527 HydrophobicContact CD1-CG 4.2Å; L486-L567 HydrophobicContact CB-CD1 3.9Å; L486-L567 HydrophobicContact CB-CD2 4.07Å
487Q94.4Very high94.4Very high63 Ų6341.9 Ų41.929%0.29421%0.21SC..Hα-helixtrans-68.8-45.7174.2-74.5172.7-20.500111.5I483 L484 F485 L489 L490 L567I483-Q487 HydrophobicContact CG2-CG 4.49Å; I483-Q487 WeakPolarHBondContact O-CG 3.36Å; I483-Q487 PolarHBondContact O-N 3.05Å; L484-Q487 WeakPolarHBondContact O-CB 3.25Å; L484-Q487 PolarHBondContact O-N 3.23Å; L484-Q487 VanDerWaalsContact O-N 3.14Å; F485-Q487 VanDerWaalsContact C-N 3.28Å; F485-Q487 PolarHBondContact O-N 3.13Å; Q487-L489 PolarHBondContact O-N 3.23Å; Q487-L490 VanDerWaalsContact O-CB 3.27Å; Q487-L490 WeakPolarHBondContact O-CB 3.38Å; Q487-L490 PolarHBondContact O-N 3.45Å; Q487-L567 HydrophobicContact CG-CD1 3.83Å
488Q93.1Very high94.3Very high74 Ų7437.1 Ų37.135%0.34619%0.193SC..Hα-helixtrans-61.7-27.3174.3-67.2172.8-57.800112.9L406 L484 F485 L490L406-Q488 HydrophobicContact CD1-CB 3.84Å; L406-Q488 HydrophobicContact CD1-CG 4.35Å; L406-Q488 HydrophobicContact CD2-CB 4.13Å; L484-Q488 WeakPolarHBondContact O-CG 3.29Å; L484-Q488 PolarHBondContact O-N 3.33Å; F485-Q488 PolarHBondContact O-N 2.6Å; Q488-L490 VanDerWaalsContact C-N 3.26Å; Q488-L490 PolarHBondContact O-N 3.02Å
489L93.2Very high94.2Very high3 Ų336.2 Ų36.22%0.01619%0.188CC..THydrogen-bonded Turntrans-71.6-16.8175.7-167.561.5000113.3F409 L452 F485 L486 Q487 F492 Q493 A496 L519 Y522F409-L489 HydrophobicContact CE2-CD1 3.56Å; F409-L489 HydrophobicContact CZ-CD1 3.84Å; L452-L489 HydrophobicContact CD2-CD1 4.27Å; L452-L489 HydrophobicContact CD2-CD2 4.27Å; F485-L489 HydrophobicContact CE1-CD2 4.46Å; F485-L489 WeakPolarHBondContact O-CB 3.42Å; F485-L489 PolarHBondContact O-N 3.08Å; L486-L489 PolarHBondContact O-N 3.15Å; Q487-L489 PolarHBondContact O-N 3.23Å; L489-F492 CarbonylContact O-C 3.6Å; L489-F492 PolarHBondContact O-N 3.23Å; L489-Q493 PolarHBondContact O-N 3.36Å; L489-A496 HydrophobicContact CD1-CB 3.75Å; L489-A496 HydrophobicContact CG-CB 4.47Å; L489-L519 HydrophobicContact CD2-CD1 3.89Å; L489-L519 HydrophobicContact CG-CD1 4.3Å; L489-Y522 HydrophobicContact CD2-CD1 4.13Å; L489-Y522 HydrophobicContact CD2-CE1 3.76Å
490L91.8Very high94Very high22 Ų2237.6 Ų37.612%0.11520%0.196CC..G310 helixtrans-65.4-41177.2-69.9179.4000112.5Q487 Q488 F492 Q493 E566 L567 L570Q487-L490 VanDerWaalsContact O-CB 3.27Å; Q487-L490 WeakPolarHBondContact O-CB 3.38Å; Q487-L490 PolarHBondContact O-N 3.45Å; Q488-L490 VanDerWaalsContact C-N 3.26Å; Q488-L490 PolarHBondContact O-N 3.02Å; L490-F492 PolarHBondContact O-N 2.97Å; L490-Q493 WeakPolarHBondContact O-CB 3.35Å; L490-Q493 WeakPolarHBondContact O-CG 3.35Å; L490-Q493 PolarHBondContact O-N 3.07Å; L490-Q493 PolarHBondContact O-NE2 3.01Å; L490-E566 HydrophobicContact CD1-CB 4.18Å; L490-E566 HydrophobicContact CD2-CB 4.4Å; L490-L567 HydrophobicContact CD1-CG 4.14Å; L490-L567 HydrophobicContact CD2-CD2 3.82Å; L490-L567 HydrophobicContact CD2-CG 4.05Å; L490-L567 HydrophobicContact CG-CD2 4.22Å; L490-L567 HydrophobicContact CG-CG 4.19Å; L490-L570 HydrophobicContact CD2-CD1 3.63Å
491D91.6Very high93.8Very high115 Ų11536.1 Ų36.162%0.61519%0.186SC*.G310 helixtrans-61.6-18.5-179.7-56.9-37.4000112R413R413-D491 PolarHBondContact NH2-O 3.32Å
492F93.3Very high93.5Very high37 Ų3734.9 Ų34.916%0.16218%0.182CC..G310 helixtrans-117.916.7179.5-55.8-70.2000113.7L406 F409 P410 L489 L490 E494 T495 A496L406-F492 HydrophobicContact CD2-CD2 4.32Å; F409-F492 HydrophobicContact CB-CB 3.73Å; F409-F492 HydrophobicContact CB-CD1 3.28Å; F409-F492 HydrophobicContact CB-CD2 4.11Å; F409-F492 HydrophobicContact CB-CE1 3.89Å; F409-F492 HydrophobicContact CB-CG 3.4Å; F409-F492 VanDerWaalsContact CB-CG 3.4Å; F409-F492 HydrophobicContact CD2-CB 3.59Å; F409-F492 HydrophobicContact CD2-CD1 4.45Å; F409-F492 AromaticContact CD2-CD2 3.82Å; F409-F492 HydrophobicContact CD2-CD2 3.82Å; F409-F492 AromaticContact CD2-CG 3.68Å; F409-F492 HydrophobicContact CD2-CG 3.68Å; F409-F492 HydrophobicContact CE2-CB 4.32Å; F409-F492 HydrophobicContact CG-CB 3.73Å; F409-F492 HydrophobicContact CG-CD1 4.22Å; F409-F492 HydrophobicContact CG-CD2 4.39Å; F409-F492 AromaticContact CG-CG 3.85Å; F409-F492 HydrophobicContact CG-CG 3.85Å; P410-F492 HydrophobicContact CG-CE1 3.77Å; P410-F492 HydrophobicContact CG-CZ 3.95Å; L489-F492 CarbonylContact O-C 3.6Å; L489-F492 PolarHBondContact O-N 3.23Å; L490-F492 PolarHBondContact O-N 2.97Å; F492-E494 VanDerWaalsContact C-N 3.31Å; F492-E494 PolarHBondContact O-N 3.35Å; F492-E494 VanDerWaalsContact O-N 3.15Å; F492-T495 PolarHBondContact O-N 2.81Å; F492-A496 WeakPolarHBondContact O-CB 3.25Å; F492-A496 PolarHBondContact O-N 2.89Å
493Q92.9Very high93.1Very high40 Ų4038.6 Ų38.619%0.18720%0.2CC..Hα-helixtrans-53.8-40.6-170.467.6-176.9-82.200114.4L489 L490 G497 L519 L570L489-Q493 PolarHBondContact O-N 3.36Å; L490-Q493 WeakPolarHBondContact O-CB 3.35Å; L490-Q493 WeakPolarHBondContact O-CG 3.35Å; L490-Q493 PolarHBondContact O-N 3.07Å; L490-Q493 PolarHBondContact O-NE2 3.01Å; Q493-G497 PolarHBondContact O-N 2.86Å; Q493-L519 HydrophobicContact CB-CD2 3.59Å; Q493-L519 VanDerWaalsContact O-CD2 3.31Å; Q493-L519 WeakPolarHBondContact O-CD2 3.35Å; Q493-L570 HydrophobicContact CB-CD1 4.37Å
494E92.2Very high92.4Very high149 Ų14943 Ų4370%0.69622%0.22SC*.Hα-helixtrans-70-44.5177.4-58.6-169.7148.800111.9F492 G497 A498F492-E494 VanDerWaalsContact C-N 3.31Å; F492-E494 PolarHBondContact O-N 3.35Å; F492-E494 VanDerWaalsContact O-N 3.15Å; E494-G497 PolarHBondContact O-N 2.96Å; E494-A498 VanDerWaalsContact O-CB 3.29Å; E494-A498 WeakPolarHBondContact O-CB 3.27Å; E494-A498 PolarHBondContact O-N 3.02Å
495T94.2Very high91.3Very high10 Ų1045.7 Ų45.76%0.06124%0.241CC..Hα-helixtrans-65.8-44.5-179-47.20000111.2F409 L412 R413 F492 M499F409-T495 HydrophobicContact CB-CG2 4.34Å; F409-T495 HydrophobicContact CD1-CG2 4.11Å; L412-T495 HydrophobicContact CB-CG2 4.27Å; L412-T495 HydrophobicContact CD2-CG2 4.27Å; L412-T495 HydrophobicContact CG-CG2 4.18Å; R413-T495 HydrophobicContact CB-CG2 4.14Å; R413-T495 PolarHBondContact NE-OG1 3.12Å; F492-T495 PolarHBondContact O-N 2.81Å; T495-M499 VanDerWaalsContact O-CB 3.23Å; T495-M499 WeakPolarHBondContact O-CB 3.19Å; T495-M499 PolarHBondContact O-N 3.06Å
496A94.4Very high89.8Confident0 Ų047.9 Ų47.90%026%0.257CS..Hα-helixtrans-68.1-41175.700000112.2F409 L489 F492 M499 L500 L519F409-A496 HydrophobicContact CE1-CB 3.99Å; F409-A496 HydrophobicContact CZ-CB 3.93Å; L489-A496 HydrophobicContact CD1-CB 3.75Å; L489-A496 HydrophobicContact CG-CB 4.47Å; F492-A496 WeakPolarHBondContact O-CB 3.25Å; F492-A496 PolarHBondContact O-N 2.89Å; A496-M499 PolarHBondContact O-N 3.47Å; A496-L500 WeakPolarHBondContact O-CG 3.25Å; A496-L500 PolarHBondContact O-N 3.41Å; A496-L519 HydrophobicContact CB-CD1 4.36Å
497G93.6Very high88.1Confident0 Ų053.7 Ų53.70%030%0.298CS..Hα-helixtrans-62.3-46.817500000112.7Q493 E494 M499 L500 A501 S515Q493-G497 PolarHBondContact O-N 2.86Å; E494-G497 PolarHBondContact O-N 2.96Å; G497-M499 VanDerWaalsContact C-N 3.35Å; G497-L500 PolarHBondContact O-N 2.96Å; G497-A501 WeakPolarHBondContact O-CB 3.36Å; G497-A501 PolarHBondContact O-N 2.79Å; G497-S515 WeakPolarHBondContact CA-O 3.24Å
498A92.2Very high86.5Confident34 Ų3453.8 Ų53.828%0.28131%0.306SS..Hα-helixtrans-68.2-33.3177.200000112.4E494 A501 S502E494-A498 VanDerWaalsContact O-CB 3.29Å; E494-A498 WeakPolarHBondContact O-CB 3.27Å; E494-A498 PolarHBondContact O-N 3.02Å; A498-A501 PolarHBondContact O-N 3.36Å; A498-S502 PolarHBondContact O-N 2.88Å
499M94.7Very high85Confident0 Ų051.6 Ų51.60%030%0.3CS..Hα-helixtrans-63.8-46.6171.5177.1-176.875.800111.4F409 L412 E445 G448 A449 L452 T495 A496 G497 A501 S502F409-M499 HydrophobicContact CE1-CE 3.62Å; F409-M499 HydrophobicContact CE1-SD 3.85Å; F409-M499 HydrophobicContact CZ-CE 3.99Å; L412-M499 HydrophobicContact CD2-CB 4.21Å; L412-M499 HydrophobicContact CD2-CG 4.29Å; L412-M499 HydrophobicContact CD2-SD 4.14Å; E445-M499 HydrophobicContact CB-CG 4Å; E445-M499 HydrophobicContact CG-CG 4.11Å; G448-M499 VanDerWaalsContact C-SD 3.56Å; G448-M499 VanDerWaalsContact CA-SD 3.58Å; A449-M499 HydrophobicContact CB-CE 4.46Å; A449-M499 HydrophobicContact CB-CG 4.44Å; A449-M499 PolarHBondContact N-SD 3Å; L452-M499 HydrophobicContact CD1-CE 3.46Å; L452-M499 VanDerWaalsContact CD1-CE 3.46Å; L452-M499 HydrophobicContact CG-CE 4.12Å; T495-M499 VanDerWaalsContact O-CB 3.23Å; T495-M499 WeakPolarHBondContact O-CB 3.19Å; T495-M499 PolarHBondContact O-N 3.06Å; A496-M499 PolarHBondContact O-N 3.47Å; G497-M499 VanDerWaalsContact C-N 3.35Å; M499-A501 VanDerWaalsContact C-N 3.3Å; M499-A501 PolarHBondContact O-N 3.28Å; M499-S502 WeakPolarHBondContact O-CB 3.24Å; M499-S502 PolarHBondContact O-N 3.41Å; M499-S502 PolarHBondContact O-OG 2.91Å
500L93.1Very high83.5Confident30 Ų3057 Ų5716%0.15734%0.338CS..Hα-helixtrans-61.6-39.7174.9-70.8170.3000111.3L452 A496 G497 S502 Q503 L518 L519 Y522L452-L500 HydrophobicContact CD1-CD1 4.32Å; L452-L500 HydrophobicContact CD1-CD2 4.09Å; L452-L500 HydrophobicContact CD1-CG 4.24Å; A496-L500 WeakPolarHBondContact O-CG 3.25Å; A496-L500 PolarHBondContact O-N 3.41Å; G497-L500 PolarHBondContact O-N 2.96Å; L500-S502 VanDerWaalsContact C-N 3.32Å; L500-S502 PolarHBondContact O-N 2.69Å; L500-Q503 PolarHBondContact O-N 3.07Å; L500-L518 HydrophobicContact CB-CB 4.23Å; L500-L518 HydrophobicContact CB-CD1 4.47Å; L500-L519 HydrophobicContact CD1-CD1 4.41Å; L500-Y522 HydrophobicContact CD1-CG 4.3Å
501A91.5Very high83Confident2 Ų258.3 Ų58.32%0.01735%0.349CS..Hα-helixtrans-63.8-32.517600000113.7G497 A498 M499 Q503 E504 F514 L518G497-A501 WeakPolarHBondContact O-CB 3.36Å; G497-A501 PolarHBondContact O-N 2.79Å; A498-A501 PolarHBondContact O-N 3.36Å; M499-A501 VanDerWaalsContact C-N 3.3Å; M499-A501 PolarHBondContact O-N 3.28Å; A501-Q503 PolarHBondContact O-N 3.47Å; A501-E504 PolarHBondContact O-N 2.86Å; A501-E504 VanDerWaalsContact O-N 3.15Å; A501-F514 HydrophobicContact CB-CD1 4.15Å; A501-F514 HydrophobicContact CB-CE1 4.25Å; A501-L518 VanDerWaalsContact CA-CD1 3.47Å; A501-L518 HydrophobicContact CB-CD1 3.88Å
502S89.1Confident82.6Confident48 Ų4857 Ų5734%0.33635%0.349SS..Hα-helixtrans-62.8-23.2177.875.70000114.3E445 A498 M499 L500E445-S502 VanDerWaalsContact CD-CB 3.5Å; E445-S502 VanDerWaalsContact OE1-CB 3.3Å; E445-S502 WeakPolarHBondContact OE1-CB 3.28Å; E445-S502 PolarHBondContact OE1-OG 2.87Å; A498-S502 PolarHBondContact O-N 2.88Å; M499-S502 WeakPolarHBondContact O-CB 3.24Å; M499-S502 PolarHBondContact O-N 3.41Å; M499-S502 PolarHBondContact O-OG 2.91Å; L500-S502 VanDerWaalsContact C-N 3.32Å; L500-S502 PolarHBondContact O-N 2.69Å
503Q86.4Confident82.4Confident81 Ų8162.4 Ų62.438%0.37938%0.375SS..THydrogen-bonded Turntrans-87.7-9.8-179.8-50.8-59.7-81.400112.4T446 A449 L500 A501T446-Q503 PolarHBondContact OG1-OE1 2.95Å; A449-Q503 HydrophobicContact CB-CG 3.71Å; L500-Q503 PolarHBondContact O-N 3.07Å; A501-Q503 PolarHBondContact O-N 3.47Å
504E83.6Confident82.2Confident91 Ų9162.8 Ų62.843%0.42538%0.376SS..  trans-91.1126.7178.3-74.1-68.5164.200111.2A501 S506 F514 L518A501-E504 PolarHBondContact O-N 2.86Å; A501-E504 VanDerWaalsContact O-N 3.15Å; E504-S506 PolarHBondContact O-N 2.95Å; E504-F514 HydrophobicContact CB-CE1 4.29Å; E504-F514 HydrophobicContact CB-CZ 4.31Å; E504-F514 HydrophobicContact CG-CE1 4.46Å; E504-F514 HydrophobicContact CG-CZ 4.29Å; E504-L518 HydrophobicContact CG-CD1 4.03Å; E504-L518 HydrophobicContact CG-CD2 4.49Å
505T70.8Confident82.2Confident150 Ų15056.3 Ų56.392%0.9235%0.347SS*.  trans-77.212.9179.553.40000114.1
506S65Low82.1Confident55 Ų5560.3 Ų60.339%0.38536%0.361SS..SBendtrans-84.6138.4-174.5-69.80000112.4E504 S508 A509E504-S506 PolarHBondContact O-N 2.95Å; S506-S508 PolarHBondContact O-N 2.96Å; S506-A509 VanDerWaalsContact O-CB 3.23Å; S506-A509 WeakPolarHBondContact O-CB 3.48Å; S506-A509 PolarHBondContact O-N 3.34Å
507S58.6Low82Confident123 Ų12367.5 Ų67.586%0.8639%0.388SS*.THydrogen-bonded Turntrans-61.8-12.3177.351.30000115
508S61.2Low82Confident66 Ų6669.1 Ų69.146%0.46240%0.397SS..THydrogen-bonded Turntrans-84-3.3173.3-53.80000114.6S506 S510 S511 F514S506-S508 PolarHBondContact O-N 2.96Å; S508-S510 PolarHBondContact O-N 2.92Å; S508-S510 VanDerWaalsContact O-N 3.08Å; S508-S511 PolarHBondContact O-N 2.97Å; S508-F514 WeakPolarHBondContact O-CD1 3.48Å
509A61Low82.2Confident28 Ų2867.6 Ų67.623%0.23138%0.384CS..THydrogen-bonded Turntrans-57.8-24.2-173.300000114.7S506 S511 F514S506-A509 VanDerWaalsContact O-CB 3.23Å; S506-A509 WeakPolarHBondContact O-CB 3.48Å; S506-A509 PolarHBondContact O-N 3.34Å; A509-S511 VanDerWaalsContact C-N 3.32Å; A509-S511 PolarHBondContact O-N 3.44Å; A509-F514 HydrophobicContact CB-CE1 4.35Å
510S62.5Low82.3Confident117 Ų11767.6 Ų67.682%0.81838%0.384SS*.THydrogen-bonded Turntrans-79-5.7177.754.10000115S508S508-S510 PolarHBondContact O-N 2.92Å; S508-S510 VanDerWaalsContact O-N 3.08Å
511S80.9Confident82.4Confident48 Ų4869.2 Ų69.234%0.33640%0.395SS..  trans-82.4132.5-1801760000112.6S508 A509 E513 F514 S515S508-S511 PolarHBondContact O-N 2.97Å; A509-S511 VanDerWaalsContact C-N 3.32Å; A509-S511 PolarHBondContact O-N 3.44Å; S511-E513 VanDerWaalsContact C-N 3.31Å; S511-E513 PolarHBondContact O-N 3.05Å; S511-E513 PolarHBondContact OG-N 3.14Å; S511-F514 PolarHBondContact O-N 3.42Å; S511-F514 PolarHBondContact OG-N 3.33Å; S511-S515 PolarHBondContact O-N 3.5Å; S511-S515 PolarHBondContact O-OG 2.88Å
512S84.3Confident82.6Confident89 Ų8969.8 Ų69.862%0.62240%0.397SS*.Hα-helixtrans-61.2-37.7170.8176.70000112F514 S515 R516S512-F514 PolarHBondContact O-N 3.47Å; S512-S515 PolarHBondContact O-N 2.98Å; S512-R516 WeakPolarHBondContact O-CB 3.48Å; S512-R516 PolarHBondContact O-N 3.45Å
513E87.6Confident83Confident150 Ų15067.6 Ų67.670%0.70138%0.381SS*.Hα-helixtrans-64.6-40.5175.6-169.6-17217100111.5S511 R517S511-E513 VanDerWaalsContact C-N 3.31Å; S511-E513 PolarHBondContact O-N 3.05Å; S511-E513 PolarHBondContact OG-N 3.14Å; E513-R517 VanDerWaalsContact O-CB 3.28Å; E513-R517 WeakPolarHBondContact O-CB 3.4Å; E513-R517 PolarHBondContact O-N 2.89Å
514F89.4Confident83.5Confident47 Ų4765.2 Ų65.221%0.20637%0.374CS..Hα-helixtrans-64.4-45.3175.4-178.7-103000111.2A501 E504 S508 A509 S511 S512 R517 L518A501-F514 HydrophobicContact CB-CD1 4.15Å; A501-F514 HydrophobicContact CB-CE1 4.25Å; E504-F514 HydrophobicContact CB-CE1 4.29Å; E504-F514 HydrophobicContact CB-CZ 4.31Å; E504-F514 HydrophobicContact CG-CE1 4.46Å; E504-F514 HydrophobicContact CG-CZ 4.29Å; S508-F514 WeakPolarHBondContact O-CD1 3.48Å; A509-F514 HydrophobicContact CB-CE1 4.35Å; S511-F514 PolarHBondContact O-N 3.42Å; S511-F514 PolarHBondContact OG-N 3.33Å; S512-F514 PolarHBondContact O-N 3.47Å; F514-R517 PolarHBondContact O-N 2.94Å; F514-L518 HydrophobicContact CD1-CD1 3.93Å; F514-L518 HydrophobicContact CD1-CG 4.46Å; F514-L518 HydrophobicContact CE1-CD1 3.46Å; F514-L518 VanDerWaalsContact CE1-CD1 3.46Å; F514-L518 HydrophobicContact CE1-CG 4.17Å; F514-L518 HydrophobicContact CZ-CD1 3.9Å; F514-L518 HydrophobicContact CZ-CD2 4.44Å; F514-L518 HydrophobicContact CZ-CG 4.26Å; F514-L518 PolarHBondContact O-N 3.38Å
515S91.3Very high84.2Confident13 Ų1364.5 Ų64.59%0.09137%0.369CS..Hα-helixtrans-58.9-47.6175.5-61.50000112.4G497 S511 S512 R517 L518 L519G497-S515 WeakPolarHBondContact CA-O 3.24Å; S511-S515 PolarHBondContact O-N 3.5Å; S511-S515 PolarHBondContact O-OG 2.88Å; S512-S515 PolarHBondContact O-N 2.98Å; S515-R517 VanDerWaalsContact C-N 3.3Å; S515-R517 PolarHBondContact O-N 3.44Å; S515-L518 PolarHBondContact O-N 3.32Å; S515-L519 PolarHBondContact O-N 3.15Å; S515-L519 VanDerWaalsContact O-N 3.08Å
516R92.4Very high85.5Confident94 Ų9457.3 Ų57.336%0.35533%0.325SS..Hα-helixtrans-61.8-37.3175.2-173177.9178.793.6-1.6111.7S512 S520 L570S512-R516 WeakPolarHBondContact O-CB 3.48Å; S512-R516 PolarHBondContact O-N 3.45Å; R516-S520 WeakPolarHBondContact O-CB 3.36Å; R516-S520 PolarHBondContact O-N 3.24Å; R516-L570 HydrophobicContact CG-CD2 3.91Å
517R93.2Very high87Confident151 Ų15155 Ų5557%0.5731%0.308SS*.Hα-helixtrans-72-35.4177.5-175.4172.5176.6169.7-2.4113.1E513 F514 S515 T521 V573E513-R517 VanDerWaalsContact O-CB 3.28Å; E513-R517 WeakPolarHBondContact O-CB 3.4Å; E513-R517 PolarHBondContact O-N 2.89Å; F514-R517 PolarHBondContact O-N 2.94Å; S515-R517 VanDerWaalsContact C-N 3.3Å; S515-R517 PolarHBondContact O-N 3.44Å; R517-T521 WeakPolarHBondContact O-CB 3.4Å; R517-T521 PolarHBondContact O-N 3.23Å; R517-T521 PolarHBondContact O-OG1 3.06Å; R517-V573 HydrophobicContact CB-CG1 4.32Å; R517-V573 HydrophobicContact CG-CG1 4.4Å
518L93.8Very high88.9Confident34 Ų3450.4 Ų50.418%0.17828%0.28CS..Hα-helixtrans-64.9-46.6172.2-75.2177.1000111.1L500 A501 E504 F514 S515 S520 T521 Y522L500-L518 HydrophobicContact CB-CB 4.23Å; L500-L518 HydrophobicContact CB-CD1 4.47Å; A501-L518 VanDerWaalsContact CA-CD1 3.47Å; A501-L518 HydrophobicContact CB-CD1 3.88Å; E504-L518 HydrophobicContact CG-CD1 4.03Å; E504-L518 HydrophobicContact CG-CD2 4.49Å; F514-L518 HydrophobicContact CD1-CD1 3.93Å; F514-L518 HydrophobicContact CD1-CG 4.46Å; F514-L518 HydrophobicContact CE1-CD1 3.46Å; F514-L518 VanDerWaalsContact CE1-CD1 3.46Å; F514-L518 HydrophobicContact CE1-CG 4.17Å; F514-L518 HydrophobicContact CZ-CD1 3.9Å; F514-L518 HydrophobicContact CZ-CD2 4.44Å; F514-L518 HydrophobicContact CZ-CG 4.26Å; F514-L518 PolarHBondContact O-N 3.38Å; S515-L518 PolarHBondContact O-N 3.32Å; L518-S520 PolarHBondContact O-N 3.37Å; L518-T521 WeakPolarHBondContact O-CB 3.47Å; L518-T521 PolarHBondContact O-N 3.13Å; L518-T521 VanDerWaalsContact O-N 3.11Å; L518-Y522 PolarHBondContact O-N 3.06Å
519L95.6Very high90.6Very high2 Ų248.2 Ų48.21%0.0126%0.263CS..Hα-helixtrans-60-45.4174.4-18062.6000112L489 Q493 A496 L500 S515 T521 Y522 I523 L570L489-L519 HydrophobicContact CD2-CD1 3.89Å; L489-L519 HydrophobicContact CG-CD1 4.3Å; Q493-L519 HydrophobicContact CB-CD2 3.59Å; Q493-L519 VanDerWaalsContact O-CD2 3.31Å; Q493-L519 WeakPolarHBondContact O-CD2 3.35Å; A496-L519 HydrophobicContact CB-CD1 4.36Å; L500-L519 HydrophobicContact CD1-CD1 4.41Å; S515-L519 PolarHBondContact O-N 3.15Å; S515-L519 VanDerWaalsContact O-N 3.08Å; L519-T521 VanDerWaalsContact C-N 3.27Å; L519-T521 PolarHBondContact O-N 3.15Å; L519-Y522 HydrophobicContact CD1-CD1 4.27Å; L519-Y522 WeakPolarHBondContact O-CB 3.31Å; L519-Y522 PolarHBondContact O-N 2.95Å; L519-I523 HydrophobicContact CD1-CD1 4.13Å; L519-I523 HydrophobicContact CD1-CG1 4.22Å; L519-I523 HydrophobicContact CD2-CD1 4.49Å; L519-I523 HydrophobicContact CG-CD1 3.87Å; L519-I523 HydrophobicContact CG-CG1 4.39Å; L519-I523 VanDerWaalsContact O-CG1 3.29Å; L519-I523 WeakPolarHBondContact O-CG1 3.47Å; L519-I523 PolarHBondContact O-N 2.94Å; L519-L570 HydrophobicContact CD2-CD1 3.96Å; L519-L570 HydrophobicContact CG-CD1 4.47Å
520S96.3Very high92.4Very high0 Ų046.9 Ų46.90%025%0.252CS..Hα-helixtrans-54.6-43172.7166.90000112.4R516 L518 I523 C524 L570 T574R516-S520 WeakPolarHBondContact O-CB 3.36Å; R516-S520 PolarHBondContact O-N 3.24Å; L518-S520 PolarHBondContact O-N 3.37Å; S520-I523 PolarHBondContact O-N 2.73Å; S520-C524 WeakPolarHBondContact O-CB 3.45Å; S520-C524 PolarHBondContact O-N 3.28Å; S520-C524 PolarHBondContact O-SG 3.15Å; S520-L570 VanDerWaalsContact CB-O 3.27Å; S520-L570 WeakPolarHBondContact CB-O 3.29Å; S520-L570 PolarHBondContact OG-O 3.41Å; S520-T574 WeakPolarHBondContact OG-CB 3.49Å; S520-T574 PolarHBondContact OG-N 3.27Å; S520-T574 VanDerWaalsContact OG-N 3.1Å; S520-T574 PolarHBondContact OG-OG1 2.94Å
521T95.9Very high94Very high65 Ų6543.6 Ų43.640%0.39922%0.224SC..Hα-helixtrans-67.3-39.7178.7-56.50000111.5R517 L518 L519 C524 K525 T574R517-T521 WeakPolarHBondContact O-CB 3.4Å; R517-T521 PolarHBondContact O-N 3.23Å; R517-T521 PolarHBondContact O-OG1 3.06Å; L518-T521 WeakPolarHBondContact O-CB 3.47Å; L518-T521 PolarHBondContact O-N 3.13Å; L518-T521 VanDerWaalsContact O-N 3.11Å; L519-T521 VanDerWaalsContact C-N 3.27Å; L519-T521 PolarHBondContact O-N 3.15Å; T521-C524 PolarHBondContact O-N 2.69Å; T521-K525 WeakPolarHBondContact O-CB 3.42Å; T521-K525 PolarHBondContact O-N 2.97Å; T521-T574 PolarHBondContact OG1-OG1 2.84Å
522Y96.9Very high94.8Very high13 Ų1347 Ų475%0.05124%0.238CC..Hα-helixtrans-62.4-48.1173171.8-99.5000112.3L452 F455 A456 L489 L500 L518 L519 C524 K525 V526L452-Y522 WeakPolarHBondContact CA-OH 3.49Å; L452-Y522 HydrophobicContact CB-CD2 4.44Å; L452-Y522 HydrophobicContact CB-CE1 4.38Å; L452-Y522 HydrophobicContact CB-CE2 3.7Å; L452-Y522 HydrophobicContact CD1-CE1 4.47Å; L452-Y522 HydrophobicContact CD2-CE1 4Å; L452-Y522 VanDerWaalsContact O-CE2 3.31Å; L452-Y522 WeakPolarHBondContact O-CE2 3.45Å; L452-Y522 PolarHBondContact O-OH 2.92Å; F455-Y522 WeakPolarHBondContact CD1-OH 3.34Å; A456-Y522 HydrophobicContact CB-CE2 4.04Å; L489-Y522 HydrophobicContact CD2-CD1 4.13Å; L489-Y522 HydrophobicContact CD2-CE1 3.76Å; L500-Y522 HydrophobicContact CD1-CG 4.3Å; L518-Y522 PolarHBondContact O-N 3.06Å; L519-Y522 HydrophobicContact CD1-CD1 4.27Å; L519-Y522 WeakPolarHBondContact O-CB 3.31Å; L519-Y522 PolarHBondContact O-N 2.95Å; Y522-C524 VanDerWaalsContact C-N 3.3Å; Y522-C524 PolarHBondContact O-N 3.14Å; Y522-K525 WeakPolarHBondContact O-CA 3.4Å; Y522-K525 WeakPolarHBondContact O-CB 3.43Å; Y522-K525 PolarHBondContact O-N 2.96Å; Y522-V526 HydrophobicContact CD1-CG2 4.45Å; Y522-V526 HydrophobicContact CD2-CG2 4.48Å; Y522-V526 HydrophobicContact CE1-CG2 3.88Å; Y522-V526 HydrophobicContact CE2-CG2 3.89Å; Y522-V526 PolarHBondContact O-N 3.42Å
523I97.3Very high95.4Very high2 Ų243.3 Ų43.31%0.0121%0.211CC..Hα-helixtrans-60.1-42.9177-62.9166.3000110.2L486 L519 S520 K525 V526 L527 L567 L570 V571L486-I523 HydrophobicContact CD1-CG2 4.34Å; L486-I523 HydrophobicContact CD2-CB 4.47Å; L486-I523 HydrophobicContact CD2-CG1 4.1Å; L486-I523 HydrophobicContact CD2-CG2 4.25Å; L519-I523 HydrophobicContact CD1-CD1 4.13Å; L519-I523 HydrophobicContact CD1-CG1 4.22Å; L519-I523 HydrophobicContact CD2-CD1 4.49Å; L519-I523 HydrophobicContact CG-CD1 3.87Å; L519-I523 HydrophobicContact CG-CG1 4.39Å; L519-I523 VanDerWaalsContact O-CG1 3.29Å; L519-I523 WeakPolarHBondContact O-CG1 3.47Å; L519-I523 PolarHBondContact O-N 2.94Å; S520-I523 PolarHBondContact O-N 2.73Å; I523-K525 VanDerWaalsContact C-N 3.33Å; I523-K525 PolarHBondContact O-N 2.99Å; I523-V526 PolarHBondContact O-N 3.25Å; I523-L527 HydrophobicContact CG2-CD1 4Å; I523-L527 HydrophobicContact CG2-CG 4.47Å; I523-L527 WeakPolarHBondContact O-CG 3.22Å; I523-L527 PolarHBondContact O-N 2.88Å; I523-L567 HydrophobicContact CD1-CD2 4.02Å; I523-L567 HydrophobicContact CG2-CD2 4.15Å; I523-L570 HydrophobicContact CD1-CB 3.9Å; I523-L570 HydrophobicContact CD1-CD1 3.6Å; I523-L570 HydrophobicContact CD1-CG 4.41Å; I523-V571 HydrophobicContact CG2-CG2 3.6Å
524C96.8Very high95.9Very high32 Ų3236.1 Ų36.122%0.21618%0.178CC..Hα-helixtrans-62.1-37.4174.3-680000112.7S520 T521 Y522 G528S520-C524 WeakPolarHBondContact O-CB 3.45Å; S520-C524 PolarHBondContact O-N 3.28Å; S520-C524 PolarHBondContact O-SG 3.15Å; T521-C524 PolarHBondContact O-N 2.69Å; Y522-C524 VanDerWaalsContact C-N 3.3Å; Y522-C524 PolarHBondContact O-N 3.14Å; C524-G528 PolarHBondContact O-N 3.07Å
525K97.1Very high96.2Very high75 Ų7536.6 Ų36.633%0.32618%0.182SC..Hα-helixtrans-64.2-45.5174.5177.1-177.9177177.80111.6E453 T521 Y522 I523 G528 N529E453-K525 IonicContact OE1-NZ 2.75Å; E453-K525 PolarHBondContact OE1-NZ 2.93Å; E453-K525 IonicContact OE2-NZ 2.66Å; E453-K525 PolarHBondContact OE2-NZ 3.21Å; T521-K525 WeakPolarHBondContact O-CB 3.42Å; T521-K525 PolarHBondContact O-N 2.97Å; Y522-K525 WeakPolarHBondContact O-CA 3.4Å; Y522-K525 WeakPolarHBondContact O-CB 3.43Å; Y522-K525 PolarHBondContact O-N 2.96Å; I523-K525 VanDerWaalsContact C-N 3.33Å; I523-K525 PolarHBondContact O-N 2.99Å; K525-G528 PolarHBondContact O-N 2.71Å; K525-N529 WeakPolarHBondContact O-CB 3.16Å; K525-N529 VanDerWaalsContact O-CG 3.3Å; K525-N529 PolarHBondContact O-N 2.86Å
526V98Very high96.5Very high0 Ų037.8 Ų37.80%019%0.19CC..Hα-helixtrans-60.7-48.8176.3174.20000111F455 A456 I459 L486 Y522 I523 G528 N529 L530F455-V526 HydrophobicContact CD1-CG2 4.45Å; F455-V526 HydrophobicContact CE1-CG1 4.07Å; F455-V526 HydrophobicContact CE1-CG2 4.49Å; A456-V526 HydrophobicContact CB-CG2 3.96Å; I459-V526 HydrophobicContact CD1-CG1 3.72Å; L486-V526 HydrophobicContact CD1-CB 4.39Å; L486-V526 HydrophobicContact CD1-CG1 3.85Å; L486-V526 HydrophobicContact CD2-CB 4.3Å; L486-V526 HydrophobicContact CD2-CG1 4.17Å; L486-V526 HydrophobicContact CD2-CG2 4.44Å; L486-V526 HydrophobicContact CG-CG1 4.19Å; Y522-V526 HydrophobicContact CD1-CG2 4.45Å; Y522-V526 HydrophobicContact CD2-CG2 4.48Å; Y522-V526 HydrophobicContact CE1-CG2 3.88Å; Y522-V526 HydrophobicContact CE2-CG2 3.89Å; Y522-V526 PolarHBondContact O-N 3.42Å; I523-V526 PolarHBondContact O-N 3.25Å; V526-G528 VanDerWaalsContact C-N 3.34Å; V526-G528 PolarHBondContact O-N 2.82Å; V526-N529 PolarHBondContact O-N 3.41Å; V526-L530 WeakPolarHBondContact O-CB 3.23Å; V526-L530 PolarHBondContact O-N 3.47Å
527L97.7Very high96.6Very high6 Ų633.3 Ų33.33%0.03117%0.174CC..Hα-helixtrans-63.6-37.4178.3-68.8171.8000112.7I483 L486 I523 Q531 I558 L562 V571I483-L527 HydrophobicContact CD1-CD2 4.19Å; L486-L527 HydrophobicContact CD1-CD2 4.01Å; L486-L527 HydrophobicContact CD1-CG 4.2Å; I523-L527 HydrophobicContact CG2-CD1 4Å; I523-L527 HydrophobicContact CG2-CG 4.47Å; I523-L527 WeakPolarHBondContact O-CG 3.22Å; I523-L527 PolarHBondContact O-N 2.88Å; L527-Q531 WeakPolarHBondContact O-CB 3.49Å; L527-Q531 PolarHBondContact O-N 3.29Å; L527-I558 HydrophobicContact CD2-CG2 4.04Å; L527-L562 HydrophobicContact CD1-CD1 4.16Å; L527-L562 HydrophobicContact CD1-CD2 4.14Å; L527-V571 HydrophobicContact CD1-CG2 3.7Å
528G97.3Very high96.8Very high26 Ų2626.4 Ų26.427%0.26815%0.148SC..Hα-helixtrans-67.5-43.8174.600000113C524 K525 V526 Q531 L532C524-G528 PolarHBondContact O-N 3.07Å; K525-G528 PolarHBondContact O-N 2.71Å; V526-G528 VanDerWaalsContact C-N 3.34Å; V526-G528 PolarHBondContact O-N 2.82Å; G528-Q531 PolarHBondContact O-N 2.81Å; G528-L532 WeakPolarHBondContact O-CG 3.49Å; G528-L532 PolarHBondContact O-N 3.03Å
529N98Very high96.8Very high20 Ų2032.1 Ų32.111%0.10717%0.172CC..Hα-helixtrans-60.8-44.8174-76.8-4.2000111.2A456 I459 K460 K525 V526 L532 N533A456-N529 PolarHBondContact O-ND2 3.48Å; I459-N529 HydrophobicContact CG2-CB 4.26Å; K460-N529 HydrophobicContact CB-CB 3.97Å; K525-N529 WeakPolarHBondContact O-CB 3.16Å; K525-N529 VanDerWaalsContact O-CG 3.3Å; K525-N529 PolarHBondContact O-N 2.86Å; V526-N529 PolarHBondContact O-N 3.41Å; N529-L532 PolarHBondContact O-N 3.2Å; N529-N533 WeakPolarHBondContact O-CB 3.48Å; N529-N533 PolarHBondContact O-N 2.76Å
530L97.9Very high96.8Very high1 Ų134.3 Ų34.31%0.00519%0.185CC..Hα-helixtrans-60-46.8175.5-179.962.8000111.5I459 L478 T479 A482 V526 L532 N533 L534 I558I459-L530 HydrophobicContact CG2-CB 3.79Å; I459-L530 HydrophobicContact CG2-CD1 4.17Å; L478-L530 HydrophobicContact CD2-CD1 3.92Å; L478-L530 HydrophobicContact CG-CD1 3.91Å; T479-L530 HydrophobicContact CG2-CD2 4.39Å; A482-L530 HydrophobicContact CB-CD1 4.43Å; A482-L530 HydrophobicContact CB-CD2 3.97Å; V526-L530 WeakPolarHBondContact O-CB 3.23Å; V526-L530 PolarHBondContact O-N 3.47Å; L530-L532 PolarHBondContact O-N 2.85Å; L530-N533 PolarHBondContact O-N 3.22Å; L530-L534 HydrophobicContact CD1-CD1 4.22Å; L530-L534 HydrophobicContact CD1-CG 4.31Å; L530-L534 HydrophobicContact CG-CD1 4.01Å; L530-L534 WeakPolarHBondContact O-CB 3.41Å; L530-L534 VanDerWaalsContact O-CG 3.24Å; L530-L534 WeakPolarHBondContact O-CG 3.22Å; L530-L534 PolarHBondContact O-N 3.05Å; L530-I558 HydrophobicContact CD2-CD1 3.74Å; L530-I558 HydrophobicContact CD2-CG1 4.19Å; L530-I558 HydrophobicContact CG-CD1 4.3Å
531Q96.9Very high96.8Very high48 Ų4835.7 Ų35.722%0.22419%0.19CC..Hα-helixtrans-60.7-43.6176.8178175.9-2.300112.2L527 G528 L535 Y555 L585L527-Q531 WeakPolarHBondContact O-CB 3.49Å; L527-Q531 PolarHBondContact O-N 3.29Å; G528-Q531 PolarHBondContact O-N 2.81Å; Q531-L535 HydrophobicContact CG-CD1 4.14Å; Q531-L535 WeakPolarHBondContact O-CB 3.34Å; Q531-L535 VanDerWaalsContact O-CG 3.3Å; Q531-L535 WeakPolarHBondContact O-CG 3.36Å; Q531-L535 PolarHBondContact O-N 3.36Å; Q531-Y555 HydrophobicContact CG-CE1 3.96Å; Q531-L585 VanDerWaalsContact NE2-CD1 3.31Å
532L96.8Very high96.7Very high118 Ų11842.3 Ų42.362%0.61822%0.217SC*.Hα-helixtrans-67.2-39.5178.4-71.6172.6000112.3G528 N529 L530 L535 S536G528-L532 WeakPolarHBondContact O-CG 3.49Å; G528-L532 PolarHBondContact O-N 3.03Å; N529-L532 PolarHBondContact O-N 3.2Å; L530-L532 PolarHBondContact O-N 2.85Å; L532-L535 PolarHBondContact O-N 3.3Å; L532-S536 PolarHBondContact O-N 3.13Å; L532-S536 VanDerWaalsContact O-N 3.16Å
533N97.3Very high96.6Very high12 Ų1243.7 Ų43.76%0.06423%0.225CC..Hα-helixtrans-66.9-44.8176-168.8-76000111.2I459 K460 D462 N529 L530 L535 S536 K537I459-N533 WeakPolarHBondContact O-CB 3.37Å; I459-N533 PolarHBondContact O-ND2 3.39Å; K460-N533 PolarHBondContact O-ND2 3.45Å; D462-N533 PolarHBondContact N-ND2 2.83Å; D462-N533 PolarHBondContact O-ND2 2.89Å; D462-N533 PolarHBondContact O-OD1 2.85Å; N529-N533 WeakPolarHBondContact O-CB 3.48Å; N529-N533 PolarHBondContact O-N 2.76Å; L530-N533 PolarHBondContact O-N 3.22Å; N533-L535 VanDerWaalsContact C-N 3.26Å; N533-L535 PolarHBondContact O-N 2.96Å; N533-S536 WeakPolarHBondContact O-CA 3Å; N533-S536 WeakPolarHBondContact O-CB 3.29Å; N533-S536 PolarHBondContact O-N 3.11Å; N533-K537 WeakPolarHBondContact O-CG 3.34Å; N533-K537 PolarHBondContact O-N 3.29Å; N533-K537 WeakPolarHBondContact OD1-CE 3.45Å; N533-K537 PolarHBondContact OD1-NZ 3.11Å
534L97.6Very high96.5Very high0 Ų047.4 Ų47.40%025%0.251CS..Hα-helixtrans-56.6-37.7172.7-74.2169.6000112.7H476 L530 S536 K537 S538 F550 L551 N554 I558H476-L534 HydrophobicContact CB-CD2 4.3Å; L530-L534 HydrophobicContact CD1-CD1 4.22Å; L530-L534 HydrophobicContact CD1-CG 4.31Å; L530-L534 HydrophobicContact CG-CD1 4.01Å; L530-L534 WeakPolarHBondContact O-CB 3.41Å; L530-L534 VanDerWaalsContact O-CG 3.24Å; L530-L534 WeakPolarHBondContact O-CG 3.22Å; L530-L534 PolarHBondContact O-N 3.05Å; L534-S536 VanDerWaalsContact C-N 3.29Å; L534-S536 PolarHBondContact O-N 2.91Å; L534-K537 PolarHBondContact O-N 3.45Å; L534-S538 WeakPolarHBondContact O-CB 3.44Å; L534-S538 PolarHBondContact O-N 2.86Å; L534-F550 HydrophobicContact CD2-CE1 3.77Å; L534-F550 HydrophobicContact CD2-CZ 3.65Å; L534-L551 HydrophobicContact CB-CD2 4.22Å; L534-N554 HydrophobicContact CD1-CB 3.82Å; L534-N554 HydrophobicContact CD2-CB 4.07Å; L534-I558 HydrophobicContact CD1-CD1 4.13Å
535L96.7Very high96.4Very high56 Ų5645.9 Ų45.929%0.29324%0.241SC..Hα-helixtrans-72.4-13.5173.3-75.5168.6000114.2Q531 L532 N533 K539 L551 Y555Q531-L535 HydrophobicContact CG-CD1 4.14Å; Q531-L535 WeakPolarHBondContact O-CB 3.34Å; Q531-L535 VanDerWaalsContact O-CG 3.3Å; Q531-L535 WeakPolarHBondContact O-CG 3.36Å; Q531-L535 PolarHBondContact O-N 3.36Å; L532-L535 PolarHBondContact O-N 3.3Å; N533-L535 VanDerWaalsContact C-N 3.26Å; N533-L535 PolarHBondContact O-N 2.96Å; L535-K539 WeakPolarHBondContact O-CE 3.41Å; L535-K539 PolarHBondContact O-NZ 2.67Å; L535-L551 HydrophobicContact CD2-CD1 3.85Å; L535-L551 HydrophobicContact CD2-CD2 4.18Å; L535-Y555 WeakPolarHBondContact CD2-OH 3.25Å; L535-Y555 WeakPolarHBondContact CG-OH 3.49Å
536S96.1Very high96.4Very high39 Ų3943.1 Ų43.127%0.27323%0.23SC..Hα-helixtrans-84.6-54.1165.1-1520000109.9D464 L532 N533 L534 S538 K539D464-S536 VanDerWaalsContact OD2-CB 3.32Å; D464-S536 WeakPolarHBondContact OD2-CB 3.23Å; D464-S536 PolarHBondContact OD2-OG 2.89Å; L532-S536 PolarHBondContact O-N 3.13Å; L532-S536 VanDerWaalsContact O-N 3.16Å; N533-S536 WeakPolarHBondContact O-CA 3Å; N533-S536 WeakPolarHBondContact O-CB 3.29Å; N533-S536 PolarHBondContact O-N 3.11Å; L534-S536 VanDerWaalsContact C-N 3.29Å; L534-S536 PolarHBondContact O-N 2.91Å; S536-S538 PolarHBondContact O-N 2.87Å; S536-S538 VanDerWaalsContact O-N 3.14Å; S536-K539 WeakPolarHBondContact O-CB 3.41Å; S536-K539 PolarHBondContact O-N 3.28Å
537K95.8Very high96.4Very high0 Ų044.1 Ų44.10%024%0.237CC..Hα-helixtrans-50.7-39.2177.1-69.8-159-164.6-45.30113.7D462 P463 D464 M469 H476 N533 L534 K539 V540 F550D462-K537 PolarHBondContact O-NZ 2.72Å; D462-K537 WeakPolarHBondContact OD1-CE 3.28Å; D462-K537 IonicContact OD1-NZ 3.55Å; D462-K537 PolarHBondContact OD1-NZ 3.34Å; P463-K537 VanDerWaalsContact C-NZ 3.32Å; P463-K537 PolarHBondContact O-NZ 3.2Å; D464-K537 HydrophobicContact CB-CB 4.49Å; D464-K537 HydrophobicContact CB-CG 3.85Å; M469-K537 HydrophobicContact CE-CB 3.83Å; M469-K537 WeakPolarHBondContact CE-O 3.27Å; M469-K537 HydrophobicContact SD-CB 3.68Å; M469-K537 HydrophobicContact SD-CD 3.85Å; M469-K537 HydrophobicContact SD-CG 3.98Å; H476-K537 VanDerWaalsContact CE1-CE 3.41Å; H476-K537 WeakPolarHBondContact CE1-CE 3.4Å; H476-K537 WeakPolarHBondContact NE2-CD 3.39Å; H476-K537 WeakPolarHBondContact NE2-CE 3.49Å; N533-K537 WeakPolarHBondContact O-CG 3.34Å; N533-K537 PolarHBondContact O-N 3.29Å; N533-K537 WeakPolarHBondContact OD1-CE 3.45Å; N533-K537 PolarHBondContact OD1-NZ 3.11Å; L534-K537 PolarHBondContact O-N 3.45Å; K537-K539 PolarHBondContact O-N 3.08Å; K537-V540 WeakPolarHBondContact O-CB 3.39Å; K537-V540 VanDerWaalsContact O-CG2 3.29Å; K537-V540 WeakPolarHBondContact O-CG2 3.23Å; K537-V540 PolarHBondContact O-N 3.4Å; K537-V540 VanDerWaalsContact O-N 3.15Å; K537-F550 HydrophobicContact CB-CE1 4.09Å; K537-F550 HydrophobicContact CB-CZ 4.23Å
538S96.4Very high96.4Very high6 Ų643.9 Ų43.94%0.04224%0.235CC..G310 helixtrans-64.7-20.1179.6800000113.8L534 S536 V540 S547L534-S538 WeakPolarHBondContact O-CB 3.44Å; L534-S538 PolarHBondContact O-N 2.86Å; S536-S538 PolarHBondContact O-N 2.87Å; S536-S538 VanDerWaalsContact O-N 3.14Å; S538-V540 VanDerWaalsContact C-N 3.28Å; S538-V540 PolarHBondContact O-N 2.96Å; S538-S547 WeakPolarHBondContact CB-OG 3.08Å; S538-S547 VanDerWaalsContact O-CB 3.29Å; S538-S547 WeakPolarHBondContact O-CB 3.35Å; S538-S547 PolarHBondContact O-OG 3.39Å
539K95.4Very high96.4Very high154 Ų15442.7 Ų42.767%0.6722%0.223SC*.G310 helixtrans-79.9-8.6178.1-58.4168.3-175.91290113.3L535 S536 K537 Y541L535-K539 WeakPolarHBondContact O-CE 3.41Å; L535-K539 PolarHBondContact O-NZ 2.67Å; S536-K539 WeakPolarHBondContact O-CB 3.41Å; S536-K539 PolarHBondContact O-N 3.28Å; K537-K539 PolarHBondContact O-N 3.08Å; K539-Y541 VanDerWaalsContact C-N 3.31Å
540V95.1Very high96.4Very high48 Ų4841.8 Ų41.829%0.29122%0.218SC..G310 helixtrans-74-24.6177.1-174.90000111.3D464 E466 M469 K537 S538D464-V540 HydrophobicContact CB-CG2 4.18Å; D464-V540 VanDerWaalsContact O-CG2 3.25Å; D464-V540 WeakPolarHBondContact O-CG2 3.19Å; E466-V540 HydrophobicContact CB-CG1 4.1Å; E466-V540 HydrophobicContact CG-CG1 4.3Å; M469-V540 HydrophobicContact CG-CB 4.09Å; M469-V540 HydrophobicContact CG-CG1 3.93Å; M469-V540 HydrophobicContact CG-CG2 4.39Å; K537-V540 WeakPolarHBondContact O-CB 3.39Å; K537-V540 VanDerWaalsContact O-CG2 3.29Å; K537-V540 WeakPolarHBondContact O-CG2 3.23Å; K537-V540 PolarHBondContact O-N 3.4Å; K537-V540 VanDerWaalsContact O-N 3.15Å; S538-V540 VanDerWaalsContact C-N 3.28Å; S538-V540 PolarHBondContact O-N 2.96Å
541Y95.3Very high96.5Very high28 Ų2842 Ų4211%0.1122%0.22CC..  trans-77.7127.1175.7-58.1-74.6000111.9M469 P470 K539 L546 F550M469-Y541 HydrophobicContact CB-CE1 4.5Å; M469-Y541 HydrophobicContact CE-CD2 4.35Å; M469-Y541 HydrophobicContact CE-CE1 4.47Å; M469-Y541 HydrophobicContact CE-CE2 3.41Å; M469-Y541 VanDerWaalsContact CE-CE2 3.41Å; M469-Y541 VanDerWaalsContact CE-OH 3.32Å; M469-Y541 WeakPolarHBondContact CE-OH 3.3Å; P470-Y541 WeakPolarHBondContact O-CE1 3.32Å; P470-Y541 PolarHBondContact O-OH 2.8Å; K539-Y541 VanDerWaalsContact C-N 3.31Å; Y541-L546 HydrophobicContact CD1-CD2 3.46Å; Y541-L546 VanDerWaalsContact CD1-CD2 3.46Å; Y541-L546 HydrophobicContact CD1-CG 3.67Å; Y541-L546 HydrophobicContact CE1-CD2 3.89Å; Y541-L546 HydrophobicContact CE1-CG 3.99Å; Y541-L546 HydrophobicContact CG-CD2 4.2Å; Y541-L546 HydrophobicContact CG-CG 4.02Å; Y541-F550 HydrophobicContact CD2-CB 4.39Å; Y541-F550 HydrophobicContact CE2-CB 3.61Å; Y541-F550 AromaticContact CE2-CD1 3.92Å; Y541-F550 HydrophobicContact CE2-CD1 3.92Å; Y541-F550 AromaticContact CE2-CD2 3.91Å; Y541-F550 HydrophobicContact CE2-CD2 3.91Å; Y541-F550 AromaticContact CE2-CG 3.54Å; Y541-F550 HydrophobicContact CE2-CG 3.54Å; Y541-F550 AromaticContact CZ-CD2 3.98Å; Y541-F550 WeakPolarHBondContact OH-CD2 3.18Å
542E93.4Very high96.5Very high204 Ų20439.8 Ų39.895%0.95321%0.209SC*.SBendtrans-64.3-40.3174.1-60-172.2149.800112.8S544E542-S544 PolarHBondContact O-N 3.17Å
543D94.7Very high96.6Very high42 Ų4234.4 Ų34.423%0.22518%0.181CC..SBendtrans-83109.6175.5-164.1-25.9000110.7A545 L546 S547 W647D543-A545 PolarHBondContact O-N 2.91Å; D543-A545 VanDerWaalsContact OD1-CB 3.26Å; D543-A545 WeakPolarHBondContact OD1-CB 3.38Å; D543-A545 PolarHBondContact OD1-N 2.95Å; D543-L546 HydrophobicContact CB-CB 4.25Å; D543-L546 WeakPolarHBondContact O-CB 3.26Å; D543-L546 PolarHBondContact O-N 3.42Å; D543-S547 PolarHBondContact O-N 3.23Å; D543-W647 HydrophobicContact CB-CH2 4.43Å; D543-W647 HydrophobicContact CB-CZ2 4.33Å
544S95.9Very high96.6Very high80 Ų8033.9 Ų33.956%0.55918%0.178SC*.Hα-helixtrans-50.4-24.6172.161.60000114.9E542 S547 A548E542-S544 PolarHBondContact O-N 3.17Å; S544-S547 WeakPolarHBondContact O-CB 3.43Å; S544-A548 PolarHBondContact O-N 2.93Å; S544-A548 VanDerWaalsContact O-N 3.09Å
545A95.9Very high96.7Very high0 Ų033.9 Ų33.90%018%0.178CC..Hα-helixtrans-79.9-34.8176.200000112.4D543 A548 I549 Y593 S596 W647D543-A545 PolarHBondContact O-N 2.91Å; D543-A545 VanDerWaalsContact OD1-CB 3.26Å; D543-A545 WeakPolarHBondContact OD1-CB 3.38Å; D543-A545 PolarHBondContact OD1-N 2.95Å; A545-A548 PolarHBondContact O-N 3.46Å; A545-I549 WeakPolarHBondContact O-CG1 3.39Å; A545-I549 PolarHBondContact O-N 3.1Å; A545-Y593 HydrophobicContact CB-CD2 4.44Å; A545-S596 VanDerWaalsContact CB-CB 3.42Å; A545-W647 HydrophobicContact CB-CH2 3.82Å; A545-W647 HydrophobicContact CB-CZ3 3.84Å
546L96.6Very high96.7Very high18 Ų1831.7 Ų31.79%0.09417%0.166CC..Hα-helixtrans-68.2-41.1170.3179.854.6000110.5Y541 D543 A548 I549 F550 W647Y541-L546 HydrophobicContact CD1-CD2 3.46Å; Y541-L546 VanDerWaalsContact CD1-CD2 3.46Å; Y541-L546 HydrophobicContact CD1-CG 3.67Å; Y541-L546 HydrophobicContact CE1-CD2 3.89Å; Y541-L546 HydrophobicContact CE1-CG 3.99Å; Y541-L546 HydrophobicContact CG-CD2 4.2Å; Y541-L546 HydrophobicContact CG-CG 4.02Å; D543-L546 HydrophobicContact CB-CB 4.25Å; D543-L546 WeakPolarHBondContact O-CB 3.26Å; D543-L546 PolarHBondContact O-N 3.42Å; L546-A548 VanDerWaalsContact C-N 3.28Å; L546-A548 PolarHBondContact O-N 3.49Å; L546-I549 PolarHBondContact O-N 2.87Å; L546-F550 WeakPolarHBondContact O-CB 3.37Å; L546-F550 PolarHBondContact O-N 3.47Å; L546-W647 HydrophobicContact CB-CD2 4.32Å; L546-W647 HydrophobicContact CB-CE3 4.49Å; L546-W647 HydrophobicContact CB-CH2 3.97Å; L546-W647 HydrophobicContact CB-CZ2 3.74Å; L546-W647 HydrophobicContact CB-CZ3 4.32Å; L546-W647 HydrophobicContact CD1-CB 4.47Å; L546-W647 HydrophobicContact CD1-CD2 3.86Å; L546-W647 HydrophobicContact CD1-CE3 4.43Å; L546-W647 HydrophobicContact CD1-CG 3.83Å
547S97.6Very high96.8Very high20 Ų2033.7 Ų33.714%0.1417%0.169CC..Hα-helixtrans-52.8-44.8170.2-171.80000112.1S538 D543 S544 F550 L551S538-S547 WeakPolarHBondContact CB-OG 3.08Å; S538-S547 VanDerWaalsContact O-CB 3.29Å; S538-S547 WeakPolarHBondContact O-CB 3.35Å; S538-S547 PolarHBondContact O-OG 3.39Å; D543-S547 PolarHBondContact O-N 3.23Å; S544-S547 WeakPolarHBondContact O-CB 3.43Å; S547-F550 PolarHBondContact O-N 3.19Å; S547-L551 WeakPolarHBondContact O-CG 3.29Å; S547-L551 PolarHBondContact O-N 2.99Å; S547-L551 VanDerWaalsContact O-N 3.08Å
548A97.9Very high96.9Very high1 Ų133.7 Ų33.71%0.00817%0.169CC..Hα-helixtrans-68.5-41.1176.200000113.2S544 A545 L546 F550 L551 H552 Q589 I592S544-A548 PolarHBondContact O-N 2.93Å; S544-A548 VanDerWaalsContact O-N 3.09Å; A545-A548 PolarHBondContact O-N 3.46Å; L546-A548 VanDerWaalsContact C-N 3.28Å; L546-A548 PolarHBondContact O-N 3.49Å; A548-F550 VanDerWaalsContact C-N 3.35Å; A548-L551 PolarHBondContact O-N 3.18Å; A548-H552 WeakPolarHBondContact O-CB 3.41Å; A548-H552 PolarHBondContact O-N 3.23Å; A548-Q589 HydrophobicContact CB-CB 4.44Å; A548-Q589 WeakPolarHBondContact O-CB 3.34Å; A548-I592 HydrophobicContact CB-CB 3.92Å; A548-I592 HydrophobicContact CB-CG2 3.72Å
549I97.6Very high97Very high2 Ų233.6 Ų33.61%0.0117%0.168CC..Hα-helixtrans-61.9-42174.4-70.3-59.2000111.3A545 L546 H552 N553 Y593 W647 A648 I649 F705A545-I549 WeakPolarHBondContact O-CG1 3.39Å; A545-I549 PolarHBondContact O-N 3.1Å; L546-I549 PolarHBondContact O-N 2.87Å; I549-H552 WeakPolarHBondContact O-CB 3.3Å; I549-H552 PolarHBondContact O-N 2.91Å; I549-N553 WeakPolarHBondContact O-CB 3.17Å; I549-N553 PolarHBondContact O-N 3.11Å; I549-N553 PolarHBondContact O-ND2 3.39Å; I549-Y593 HydrophobicContact CD1-CD2 3.72Å; I549-Y593 HydrophobicContact CD1-CE2 4.25Å; I549-Y593 HydrophobicContact CD1-CG 3.88Å; I549-Y593 HydrophobicContact CG1-CD2 3.8Å; I549-Y593 HydrophobicContact CG1-CE2 4.38Å; I549-Y593 HydrophobicContact CG1-CG 4.36Å; I549-W647 HydrophobicContact CG1-CE3 4.17Å; I549-A648 WeakPolarHBondContact CG2-O 3.29Å; I549-I649 HydrophobicContact CD1-CD1 3.91Å; I549-I649 HydrophobicContact CD1-CG1 4.32Å; I549-I649 HydrophobicContact CG2-CG1 4.19Å; I549-F705 HydrophobicContact CD1-CE1 4.27Å; I549-F705 HydrophobicContact CD1-CZ 4.26Å; I549-F705 HydrophobicContact CG1-CE1 4.28Å
550F98.1Very high97Very high0 Ų028.4 Ų28.40%015%0.145CC..Hα-helixtrans-59.2-51.2174.8174.5-99.3000112.5M469 G473 T474 H476 L534 K537 Y541 L546 S547 A548 H552 N553 N554M469-F550 HydrophobicContact CE-CD2 4.36Å; M469-F550 HydrophobicContact CE-CE1 4.11Å; M469-F550 HydrophobicContact CE-CE2 3.86Å; M469-F550 HydrophobicContact CE-CZ 3.72Å; G473-F550 VanDerWaalsContact O-CA 3.29Å; G473-F550 WeakPolarHBondContact O-CA 3.29Å; T474-F550 WeakPolarHBondContact O-CD2 3.31Å; H476-F550 HydrophobicContact CB-CE2 3.92Å; H476-F550 HydrophobicContact CB-CZ 3.97Å; L534-F550 HydrophobicContact CD2-CE1 3.77Å; L534-F550 HydrophobicContact CD2-CZ 3.65Å; K537-F550 HydrophobicContact CB-CE1 4.09Å; K537-F550 HydrophobicContact CB-CZ 4.23Å; Y541-F550 HydrophobicContact CD2-CB 4.39Å; Y541-F550 HydrophobicContact CE2-CB 3.61Å; Y541-F550 AromaticContact CE2-CD1 3.92Å; Y541-F550 HydrophobicContact CE2-CD1 3.92Å; Y541-F550 AromaticContact CE2-CD2 3.91Å; Y541-F550 HydrophobicContact CE2-CD2 3.91Å; Y541-F550 AromaticContact CE2-CG 3.54Å; Y541-F550 HydrophobicContact CE2-CG 3.54Å; Y541-F550 AromaticContact CZ-CD2 3.98Å; Y541-F550 WeakPolarHBondContact OH-CD2 3.18Å; L546-F550 WeakPolarHBondContact O-CB 3.37Å; L546-F550 PolarHBondContact O-N 3.47Å; S547-F550 PolarHBondContact O-N 3.19Å; A548-F550 VanDerWaalsContact C-N 3.35Å; F550-H552 VanDerWaalsContact C-N 3.34Å; F550-H552 PolarHBondContact O-N 3.39Å; F550-N553 PolarHBondContact O-N 3.42Å; F550-N554 WeakPolarHBondContact CD2-ND2 3.4Å; F550-N554 WeakPolarHBondContact CE2-ND2 3.38Å; F550-N554 PolarHBondContact O-N 2.86Å; F550-N554 VanDerWaalsContact O-N 3.11Å; F550-N554 PolarHBondContact O-ND2 2.67Å
551L98.5Very high97.1Very high7 Ų726.7 Ų26.74%0.03714%0.135CC..Hα-helixtrans-62.9-41.1176.6-70.7177.7000111.7L534 L535 S547 A548 N554 Y555 Q589L534-L551 HydrophobicContact CB-CD2 4.22Å; L535-L551 HydrophobicContact CD2-CD1 3.85Å; L535-L551 HydrophobicContact CD2-CD2 4.18Å; S547-L551 WeakPolarHBondContact O-CG 3.29Å; S547-L551 PolarHBondContact O-N 2.99Å; S547-L551 VanDerWaalsContact O-N 3.08Å; A548-L551 PolarHBondContact O-N 3.18Å; L551-N554 PolarHBondContact O-N 2.94Å; L551-Y555 HydrophobicContact CB-CD2 4.33Å; L551-Y555 HydrophobicContact CB-CE2 3.95Å; L551-Y555 HydrophobicContact CD2-CE2 4.39Å; L551-Y555 WeakPolarHBondContact O-CB 2.83Å; L551-Y555 VanDerWaalsContact O-CD2 3.22Å; L551-Y555 WeakPolarHBondContact O-CD2 3.37Å; L551-Y555 PolarHBondContact O-N 3.34Å; L551-Q589 HydrophobicContact CB-CG 3.74Å
552H98.4Very high97Very high1 Ų125.4 Ų25.41%0.00513%0.13CC..Hα-helixtrans-57.6-50.6176.4172.275.1000112A548 I549 F550 N556 Q589 K590 Q654A548-H552 WeakPolarHBondContact O-CB 3.41Å; A548-H552 PolarHBondContact O-N 3.23Å; I549-H552 WeakPolarHBondContact O-CB 3.3Å; I549-H552 PolarHBondContact O-N 2.91Å; F550-H552 VanDerWaalsContact C-N 3.34Å; F550-H552 PolarHBondContact O-N 3.39Å; H552-N556 VanDerWaalsContact O-CB 3.29Å; H552-N556 WeakPolarHBondContact O-CB 3.45Å; H552-N556 PolarHBondContact O-N 3.07Å; H552-Q589 HydrophobicContact CB-CB 3.81Å; H552-Q589 HydrophobicContact CB-CG 4.4Å; H552-K590 VanDerWaalsContact CE1-CE 3.43Å; H552-K590 WeakPolarHBondContact CE1-CE 3.37Å; H552-Q654 VanDerWaalsContact NE2-CB 3.35Å; H552-Q654 WeakPolarHBondContact NE2-CB 3.29Å
553N98.1Very high97Very high5 Ų519 Ų193%0.02710%0.1CC..Hα-helixtrans-60.4-47.9179.9-77.7-28.4000111.8G473 V475 I549 F550 Y557 A648 P650G473-N553 PolarHBondContact O-ND2 2.95Å; V475-N553 HydrophobicContact CG2-CB 4.29Å; I549-N553 WeakPolarHBondContact O-CB 3.17Å; I549-N553 PolarHBondContact O-N 3.11Å; I549-N553 PolarHBondContact O-ND2 3.39Å; F550-N553 PolarHBondContact O-N 3.42Å; N553-Y557 WeakPolarHBondContact O-CB 3.33Å; N553-Y557 PolarHBondContact O-N 3.28Å; N553-A648 PolarHBondContact ND2-O 2.95Å; N553-P650 WeakPolarHBondContact OD1-CD 3.3Å
554N98.4Very high96.9Very high0 Ų025.2 Ų25.20%013%0.125CC..Hα-helixtrans-68.7-42.3-178.4-74.5-87.5000112T474 H476 T479 L534 F550 L551 Y557 I558T474-N554 PolarHBondContact O-ND2 3.31Å; H476-N554 PolarHBondContact N-OD1 3.46Å; T479-N554 WeakPolarHBondContact CB-OD1 3.45Å; T479-N554 HydrophobicContact CG2-CB 4.41Å; T479-N554 PolarHBondContact OG1-OD1 2.87Å; L534-N554 HydrophobicContact CD1-CB 3.82Å; L534-N554 HydrophobicContact CD2-CB 4.07Å; F550-N554 WeakPolarHBondContact CD2-ND2 3.4Å; F550-N554 WeakPolarHBondContact CE2-ND2 3.38Å; F550-N554 PolarHBondContact O-N 2.86Å; F550-N554 VanDerWaalsContact O-N 3.11Å; F550-N554 PolarHBondContact O-ND2 2.67Å; L551-N554 PolarHBondContact O-N 2.94Å; N554-Y557 PolarHBondContact O-N 3.45Å; N554-I558 VanDerWaalsContact O-CG1 3.3Å; N554-I558 WeakPolarHBondContact O-CG1 3.37Å; N554-I558 PolarHBondContact O-N 2.95Å
555Y98.5Very high96.7Very high1 Ų122.7 Ų22.70%0.00411%0.107CC..Hα-helixtrans-66.5-38.7175.8-63.1-25.3000112.8Q531 L535 L551 L559 Y582 L585 Q589Q531-Y555 HydrophobicContact CG-CE1 3.96Å; L535-Y555 WeakPolarHBondContact CD2-OH 3.25Å; L535-Y555 WeakPolarHBondContact CG-OH 3.49Å; L551-Y555 HydrophobicContact CB-CD2 4.33Å; L551-Y555 HydrophobicContact CB-CE2 3.95Å; L551-Y555 HydrophobicContact CD2-CE2 4.39Å; L551-Y555 WeakPolarHBondContact O-CB 2.83Å; L551-Y555 VanDerWaalsContact O-CD2 3.22Å; L551-Y555 WeakPolarHBondContact O-CD2 3.37Å; L551-Y555 PolarHBondContact O-N 3.34Å; Y555-L559 WeakPolarHBondContact O-CB 3.46Å; Y555-L559 PolarHBondContact O-N 3.44Å; Y555-Y582 HydrophobicContact CD1-CE1 4.42Å; Y555-L585 HydrophobicContact CD2-CB 3.81Å; Y555-L585 HydrophobicContact CE2-CB 3.98Å; Y555-L585 HydrophobicContact CE2-CD2 4.39Å; Y555-Q589 HydrophobicContact CD2-CG 4.3Å; Y555-Q589 HydrophobicContact CE2-CG 4.33Å
556N98Very high96.4Very high9 Ų927.2 Ų27.25%0.04813%0.129CC..Hα-helixtrans-65.8-41173.7-178.683.5000111.5H552 L559 K560 I586 D651 Q654H552-N556 VanDerWaalsContact O-CB 3.29Å; H552-N556 WeakPolarHBondContact O-CB 3.45Å; H552-N556 PolarHBondContact O-N 3.07Å; N556-L559 PolarHBondContact O-N 2.91Å; N556-K560 VanDerWaalsContact O-CB 3.27Å; N556-K560 WeakPolarHBondContact O-CB 3.42Å; N556-K560 VanDerWaalsContact O-CG 3.24Å; N556-K560 WeakPolarHBondContact O-CG 3.48Å; N556-K560 PolarHBondContact O-N 3.47Å; N556-I586 HydrophobicContact CB-CD1 4.14Å; N556-D651 WeakPolarHBondContact ND2-CB 3.42Å; N556-D651 VanDerWaalsContact ND2-CG 3.31Å; N556-D651 PolarHBondContact ND2-OD2 3.46Å; N556-Q654 HydrophobicContact CB-CG 4.32Å; N556-Q654 VanDerWaalsContact OD1-CG 3.25Å; N556-Q654 WeakPolarHBondContact OD1-CG 3.35Å; N556-Q654 PolarHBondContact OD1-NE2 3.17Å
557Y97.9Very high96.2Very high82 Ų8226.4 Ų26.432%0.32212%0.124SC..Hα-helixtrans-61.1-46.9175.3-176.1-84000112.1V475 T479 I483 N553 N554 S561V475-Y557 HydrophobicContact CG1-CD1 4.21Å; V475-Y557 HydrophobicContact CG1-CD2 4.11Å; V475-Y557 HydrophobicContact CG1-CG 3.89Å; V475-Y557 HydrophobicContact CG2-CD2 4.06Å; V475-Y557 HydrophobicContact CG2-CG 4.16Å; T479-Y557 HydrophobicContact CG2-CD1 3.81Å; T479-Y557 HydrophobicContact CG2-CE1 4.46Å; I483-Y557 HydrophobicContact CB-CE1 4.13Å; I483-Y557 HydrophobicContact CG1-CD1 4.41Å; I483-Y557 HydrophobicContact CG1-CE1 4.14Å; I483-Y557 HydrophobicContact CG2-CE1 4.15Å; N553-Y557 WeakPolarHBondContact O-CB 3.33Å; N553-Y557 PolarHBondContact O-N 3.28Å; N554-Y557 PolarHBondContact O-N 3.45Å; Y557-S561 VanDerWaalsContact O-CB 3.28Å; Y557-S561 WeakPolarHBondContact O-CB 3.35Å; Y557-S561 PolarHBondContact O-N 2.91Å; Y557-S561 PolarHBondContact O-OG 2.87Å
558I98Very high96Very high0 Ų027 Ų270%013%0.126CC..Hα-helixtrans-57.5-54175.1-68.9163.2000109.8T479 I483 L527 L530 L534 N554 K560 S561 L562 Y582T479-I558 HydrophobicContact CG2-CD1 4.06Å; T479-I558 HydrophobicContact CG2-CG1 3.7Å; I483-I558 HydrophobicContact CD1-CG1 4.35Å; I483-I558 HydrophobicContact CD1-CG2 4.36Å; I483-I558 HydrophobicContact CG1-CG1 4.43Å; L527-I558 HydrophobicContact CD2-CG2 4.04Å; L530-I558 HydrophobicContact CD2-CD1 3.74Å; L530-I558 HydrophobicContact CD2-CG1 4.19Å; L530-I558 HydrophobicContact CG-CD1 4.3Å; L534-I558 HydrophobicContact CD1-CD1 4.13Å; N554-I558 VanDerWaalsContact O-CG1 3.3Å; N554-I558 WeakPolarHBondContact O-CG1 3.37Å; N554-I558 PolarHBondContact O-N 2.95Å; I558-K560 PolarHBondContact O-N 3.37Å; I558-S561 PolarHBondContact O-N 2.92Å; I558-S561 VanDerWaalsContact O-N 3.1Å; I558-L562 HydrophobicContact CG2-CD1 3.91Å; I558-L562 HydrophobicContact CG2-CG 4.35Å; I558-L562 WeakPolarHBondContact O-CG 3.34Å; I558-L562 PolarHBondContact O-N 2.63Å; I558-Y582 HydrophobicContact CG2-CE1 3.97Å; I558-Y582 HydrophobicContact CG2-CE2 4.06Å
559L96.9Very high95.7Very high3 Ų331.3 Ų31.32%0.01615%0.146CC..Hα-helixtrans-58.2-52.1-178.4178.457.9000112.2Y555 N556 S561 L562 E563 E579 R583 I586Y555-L559 WeakPolarHBondContact O-CB 3.46Å; Y555-L559 PolarHBondContact O-N 3.44Å; N556-L559 PolarHBondContact O-N 2.91Å; L559-S561 PolarHBondContact O-N 3.34Å; L559-L562 PolarHBondContact O-N 2.63Å; L559-E563 HydrophobicContact CD1-CG 4.09Å; L559-E563 HydrophobicContact CG-CG 4.38Å; L559-E563 WeakPolarHBondContact O-CB 3.38Å; L559-E563 VanDerWaalsContact O-CG 3.3Å; L559-E563 WeakPolarHBondContact O-CG 3.37Å; L559-E563 PolarHBondContact O-N 3.01Å; L559-E579 HydrophobicContact CD1-CB 4.47Å; L559-E579 HydrophobicContact CD1-CG 3.84Å; L559-R583 HydrophobicContact CD2-CG 3.67Å; L559-I586 HydrophobicContact CB-CD1 4.19Å; L559-I586 HydrophobicContact CD2-CD1 3.58Å
560K96.1Very high95.5Very high46 Ų4631.3 Ų31.320%0.215%0.145CC..Hα-helixtrans-60.5-25.6177.7-71.5-74.9-167.9178.90112.8N556 I558 K564 D651 E653N556-K560 VanDerWaalsContact O-CB 3.27Å; N556-K560 WeakPolarHBondContact O-CB 3.42Å; N556-K560 VanDerWaalsContact O-CG 3.24Å; N556-K560 WeakPolarHBondContact O-CG 3.48Å; N556-K560 PolarHBondContact O-N 3.47Å; I558-K560 PolarHBondContact O-N 3.37Å; K560-K564 WeakPolarHBondContact O-CB 3.32Å; K560-K564 VanDerWaalsContact O-CD 3.26Å; K560-K564 WeakPolarHBondContact O-CD 3.28Å; K560-K564 WeakPolarHBondContact O-CG 3.27Å; K560-K564 PolarHBondContact O-N 2.87Å; K560-D651 WeakPolarHBondContact CE-OD2 3.18Å; K560-E653 IonicContact NZ-OE2 3.66Å; K560-E653 PolarHBondContact NZ-OE2 3.15Å
561S96.4Very high95.3Very high11 Ų1131.4 Ų31.48%0.07715%0.146CC..Hα-helixtrans-85.2-34178.5-56.60000112.7I483 Y557 I558 L559 S565I483-S561 VanDerWaalsContact CG2-CB 3.49Å; Y557-S561 VanDerWaalsContact O-CB 3.28Å; Y557-S561 WeakPolarHBondContact O-CB 3.35Å; Y557-S561 PolarHBondContact O-N 2.91Å; Y557-S561 PolarHBondContact O-OG 2.87Å; I558-S561 PolarHBondContact O-N 2.92Å; I558-S561 VanDerWaalsContact O-N 3.1Å; L559-S561 PolarHBondContact O-N 3.34Å; S561-S565 PolarHBondContact O-OG 2.66Å
562L94.8Very high95.1Very high1 Ų133.6 Ų33.61%0.00516%0.16CC..Hα-helixtrans-66.4-44.1168.5-64.2175000110.8L527 I558 L559 K564 S565 L567 I568 V571 Y582L527-L562 HydrophobicContact CD1-CD1 4.16Å; L527-L562 HydrophobicContact CD1-CD2 4.14Å; I558-L562 HydrophobicContact CG2-CD1 3.91Å; I558-L562 HydrophobicContact CG2-CG 4.35Å; I558-L562 WeakPolarHBondContact O-CG 3.34Å; I558-L562 PolarHBondContact O-N 2.63Å; L559-L562 PolarHBondContact O-N 2.63Å; L562-K564 PolarHBondContact O-N 3.25Å; L562-S565 PolarHBondContact O-N 2.59Å; L562-L567 HydrophobicContact CD2-CB 3.56Å; L562-L567 HydrophobicContact CD2-CD1 4.06Å; L562-L567 HydrophobicContact CD2-CG 4.41Å; L562-I568 HydrophobicContact CB-CB 4.41Å; L562-I568 WeakPolarHBondContact O-CB 3.32Å; L562-I568 WeakPolarHBondContact O-CG2 3.39Å; L562-V571 HydrophobicContact CD2-CG2 4.35Å; L562-Y582 HydrophobicContact CD1-CD2 4.37Å; L562-Y582 HydrophobicContact CD1-CE2 3.97Å
563E93.3Very high94.9Very high69 Ų6936.3 Ų36.332%0.32218%0.177SC..Hα-helixtrans-61.2-28.7176.5-73.7172.9166.500113.5L559 R583L559-E563 HydrophobicContact CD1-CG 4.09Å; L559-E563 HydrophobicContact CG-CG 4.38Å; L559-E563 WeakPolarHBondContact O-CB 3.38Å; L559-E563 VanDerWaalsContact O-CG 3.3Å; L559-E563 WeakPolarHBondContact O-CG 3.37Å; L559-E563 PolarHBondContact O-N 3.01Å; E563-R583 IonicContact OE1-CZ 2.64Å; E563-R583 IonicContact OE1-NH1 3.64Å; E563-R583 PolarHBondContact OE1-NH1 3.48Å; E563-R583 IonicContact OE1-NH2 2.86Å; E563-R583 PolarHBondContact OE1-NH2 2.88Å
564K92.3Very high94.7Very high174 Ų17438.8 Ų38.876%0.75719%0.192SC*.THydrogen-bonded Turntrans-89.5-5.3-177.9-78.1173.6-174.2178.30114.9K560 L562K560-K564 WeakPolarHBondContact O-CB 3.32Å; K560-K564 VanDerWaalsContact O-CD 3.26Å; K560-K564 WeakPolarHBondContact O-CD 3.28Å; K560-K564 WeakPolarHBondContact O-CG 3.27Å; K560-K564 PolarHBondContact O-N 2.87Å; L562-K564 PolarHBondContact O-N 3.25Å
565S90.5Very high94.4Very high26 Ų2643.2 Ų43.218%0.18221%0.213CC..SBendtrans-139.1167.4-172.662.20000111.3S561 L562 L567S561-S565 PolarHBondContact O-OG 2.66Å; L562-S565 PolarHBondContact O-N 2.59Å; S565-L567 PolarHBondContact O-N 3.16Å; S565-L567 VanDerWaalsContact O-N 3.08Å
566E90.4Very high94.1Very high96 Ų9651.8 Ų51.845%0.44925%0.25SC..THydrogen-bonded Turntrans-70.3-3.8178.6-55.1-150.4129.500113.7L490 I568 Q569 L570L490-E566 HydrophobicContact CD1-CB 4.18Å; L490-E566 HydrophobicContact CD2-CB 4.4Å; E566-I568 PolarHBondContact O-N 2.96Å; E566-Q569 WeakPolarHBondContact O-CA 3.19Å; E566-Q569 VanDerWaalsContact O-CB 3.31Å; E566-Q569 WeakPolarHBondContact O-CB 3.38Å; E566-Q569 PolarHBondContact O-N 3.33Å; E566-Q569 PolarHBondContact OE1-NE2 3.37Å; E566-L570 PolarHBondContact O-N 3.01Å
567L92.6Very high93.9Very high0 Ų058.5 Ų58.50%028%0.278CS..Hα-helixtrans-53.4-36.4174-76.6173.3000112.7L486 Q487 L490 I523 L562 S565 Q569 L570 V571L486-L567 HydrophobicContact CB-CD1 3.9Å; L486-L567 HydrophobicContact CB-CD2 4.07Å; Q487-L567 HydrophobicContact CG-CD1 3.83Å; L490-L567 HydrophobicContact CD1-CG 4.14Å; L490-L567 HydrophobicContact CD2-CD2 3.82Å; L490-L567 HydrophobicContact CD2-CG 4.05Å; L490-L567 HydrophobicContact CG-CD2 4.22Å; L490-L567 HydrophobicContact CG-CG 4.19Å; I523-L567 HydrophobicContact CD1-CD2 4.02Å; I523-L567 HydrophobicContact CG2-CD2 4.15Å; L562-L567 HydrophobicContact CD2-CB 3.56Å; L562-L567 HydrophobicContact CD2-CD1 4.06Å; L562-L567 HydrophobicContact CD2-CG 4.41Å; S565-L567 PolarHBondContact O-N 3.16Å; S565-L567 VanDerWaalsContact O-N 3.08Å; L567-Q569 VanDerWaalsContact C-N 3.28Å; L567-Q569 PolarHBondContact O-N 3.39Å; L567-L570 PolarHBondContact O-N 3.46Å; L567-V571 WeakPolarHBondContact O-CB 3.43Å; L567-V571 VanDerWaalsContact O-CG2 3.28Å; L567-V571 WeakPolarHBondContact O-CG2 3.42Å; L567-V571 PolarHBondContact O-N 2.94Å
568I93.1Very high93.6Very high34 Ų3454.9 Ų54.917%0.17427%0.265CS..Hα-helixtrans-64.5-32.8176.5-168.360.7000112.3L562 E566 T572 E579L562-I568 HydrophobicContact CB-CB 4.41Å; L562-I568 WeakPolarHBondContact O-CB 3.32Å; L562-I568 WeakPolarHBondContact O-CG2 3.39Å; E566-I568 PolarHBondContact O-N 2.96Å; I568-T572 HydrophobicContact CD1-CG2 4.11Å; I568-T572 HydrophobicContact CG1-CG2 4.33Å; I568-T572 WeakPolarHBondContact O-CB 3.14Å; I568-T572 VanDerWaalsContact O-CG2 3.28Å; I568-T572 WeakPolarHBondContact O-CG2 3.5Å; I568-T572 PolarHBondContact O-N 3.31Å; I568-T572 PolarHBondContact O-OG1 3.5Å; I568-E579 HydrophobicContact CD1-CB 4.45Å
569Q92.1Very high93.3Very high91 Ų9158.6 Ų58.643%0.42528%0.283SS..Hα-helixtrans-69.9-33.8175.9-53.6-175.939.400112E566 L567 T572E566-Q569 WeakPolarHBondContact O-CA 3.19Å; E566-Q569 VanDerWaalsContact O-CB 3.31Å; E566-Q569 WeakPolarHBondContact O-CB 3.38Å; E566-Q569 PolarHBondContact O-N 3.33Å; E566-Q569 PolarHBondContact OE1-NE2 3.37Å; L567-Q569 VanDerWaalsContact C-N 3.28Å; L567-Q569 PolarHBondContact O-N 3.39Å; Q569-T572 PolarHBondContact O-OG1 3.31Å
570L93Very high93.3Very high1 Ų160.6 Ų60.61%0.00530%0.297CS..Hα-helixtrans-74.3-52.2173.3-69178.5000110.9L490 Q493 R516 L519 S520 I523 E566 L567 T572 V573L490-L570 HydrophobicContact CD2-CD1 3.63Å; Q493-L570 HydrophobicContact CB-CD1 4.37Å; R516-L570 HydrophobicContact CG-CD2 3.91Å; L519-L570 HydrophobicContact CD2-CD1 3.96Å; L519-L570 HydrophobicContact CG-CD1 4.47Å; S520-L570 VanDerWaalsContact CB-O 3.27Å; S520-L570 WeakPolarHBondContact CB-O 3.29Å; S520-L570 PolarHBondContact OG-O 3.41Å; I523-L570 HydrophobicContact CD1-CB 3.9Å; I523-L570 HydrophobicContact CD1-CD1 3.6Å; I523-L570 HydrophobicContact CD1-CG 4.41Å; E566-L570 PolarHBondContact O-N 3.01Å; L567-L570 PolarHBondContact O-N 3.46Å; L570-T572 PolarHBondContact O-N 3.23Å; L570-V573 VanDerWaalsContact O-CB 3.32Å; L570-V573 WeakPolarHBondContact O-CB 3.46Å; L570-V573 PolarHBondContact O-N 3.49Å
571V94.4Very high93.3Very high3 Ų360.2 Ų60.22%0.01830%0.3CS..Hα-helixtrans-54.9-39.3-179.21690000112.1I523 L527 L562 L567 V573 T574 Q575 A578I523-V571 HydrophobicContact CG2-CG2 3.6Å; L527-V571 HydrophobicContact CD1-CG2 3.7Å; L562-V571 HydrophobicContact CD2-CG2 4.35Å; L567-V571 WeakPolarHBondContact O-CB 3.43Å; L567-V571 VanDerWaalsContact O-CG2 3.28Å; L567-V571 WeakPolarHBondContact O-CG2 3.42Å; L567-V571 PolarHBondContact O-N 2.94Å; V571-V573 VanDerWaalsContact C-N 3.26Å; V571-V573 PolarHBondContact O-N 3.01Å; V571-T574 PolarHBondContact O-N 3.13Å; V571-Q575 HydrophobicContact CG1-CB 4.41Å; V571-Q575 PolarHBondContact O-N 3.23Å; V571-A578 HydrophobicContact CG1-CB 3.48Å; V571-A578 VanDerWaalsContact CG1-CB 3.48Å
572T94Very high93.3Very high52 Ų5260.5 Ų60.532%0.31930%0.3SS..Hα-helixtrans-70.9-14-179.249.10000114.8I568 Q569 L570 K576I568-T572 HydrophobicContact CD1-CG2 4.11Å; I568-T572 HydrophobicContact CG1-CG2 4.33Å; I568-T572 WeakPolarHBondContact O-CB 3.14Å; I568-T572 VanDerWaalsContact O-CG2 3.28Å; I568-T572 WeakPolarHBondContact O-CG2 3.5Å; I568-T572 PolarHBondContact O-N 3.31Å; I568-T572 PolarHBondContact O-OG1 3.5Å; Q569-T572 PolarHBondContact O-OG1 3.31Å; L570-T572 PolarHBondContact O-N 3.23Å; T572-K576 WeakPolarHBondContact O-CG 3.42Å
573V93.9Very high93.4Very high59 Ų5965.8 Ų65.836%0.35832%0.32SS..Hα-helixtrans-62.1-43.6170.61750000110.6R517 L570 V571R517-V573 HydrophobicContact CB-CG1 4.32Å; R517-V573 HydrophobicContact CG-CG1 4.4Å; L570-V573 VanDerWaalsContact O-CB 3.32Å; L570-V573 WeakPolarHBondContact O-CB 3.46Å; L570-V573 PolarHBondContact O-N 3.49Å; V571-V573 VanDerWaalsContact C-N 3.26Å; V571-V573 PolarHBondContact O-N 3.01Å
574T93.2Very high93.6Very high56 Ų5668 Ų6834%0.34433%0.33SS..Hα-helixtrans-91.9-48.9176.7-61.60000111.6S520 T521 V571S520-T574 WeakPolarHBondContact OG-CB 3.49Å; S520-T574 PolarHBondContact OG-N 3.27Å; S520-T574 VanDerWaalsContact OG-N 3.1Å; S520-T574 PolarHBondContact OG-OG1 2.94Å; T521-T574 PolarHBondContact OG1-OG1 2.84Å; V571-T574 PolarHBondContact O-N 3.13Å
575Q92.3Very high93.8Very high94 Ų9461.1 Ų61.144%0.43930%0.301SS..  trans-11575.7-170.7-172.461.93.200111.7V571 K577 A578V571-Q575 HydrophobicContact CG1-CB 4.41Å; V571-Q575 PolarHBondContact O-N 3.23Å; Q575-K577 PolarHBondContact O-N 2.94Å; Q575-A578 HydrophobicContact CB-CB 4.33Å; Q575-A578 HydrophobicContact CG-CB 3.93Å; Q575-A578 WeakPolarHBondContact O-CB 3.42Å; Q575-A578 PolarHBondContact O-N 2.76Å
576K92.4Very high94.2Very high180 Ų18060.3 Ų60.378%0.78330%0.295SS*.THydrogen-bonded Turntrans-53.4-15.7-176.7-64.3-173.8178.6-172.20116.5T572T572-K576 WeakPolarHBondContact O-CG 3.42Å
577K93.3Very high94.5Very high150 Ų15059.4 Ų59.465%0.65229%0.291SS*.THydrogen-bonded Turntrans-112.310.2180-73.8-166.2174.2-169.50114.5Q575 E579 S580 S581Q575-K577 PolarHBondContact O-N 2.94Å; K577-E579 VanDerWaalsContact C-N 3.33Å; K577-E579 PolarHBondContact O-N 2.63Å; K577-S580 PolarHBondContact O-N 3.31Å; K577-S580 VanDerWaalsContact O-N 3.15Å; K577-S580 PolarHBondContact O-OG 3.45Å; K577-S581 PolarHBondContact O-N 2.79Å; K577-S581 PolarHBondContact O-OG 2.76Å
578A91.9Very high94.8Very high6 Ų663.9 Ų63.95%0.0531%0.312CS..Hα-helixtrans-51.1-47.7-172.700000113.5V571 Q575 S581 Y582V571-A578 HydrophobicContact CG1-CB 3.48Å; V571-A578 VanDerWaalsContact CG1-CB 3.48Å; Q575-A578 HydrophobicContact CB-CB 4.33Å; Q575-A578 HydrophobicContact CG-CB 3.93Å; Q575-A578 WeakPolarHBondContact O-CB 3.42Å; Q575-A578 PolarHBondContact O-N 2.76Å; A578-S581 PolarHBondContact O-N 3.33Å; A578-Y582 VanDerWaalsContact O-CD2 3.31Å; A578-Y582 WeakPolarHBondContact O-CD2 3.41Å; A578-Y582 PolarHBondContact O-N 3.37Å
579E93.4Very high95Very high79 Ų7963 Ų6337%0.36931%0.307SS..Hα-helixtrans-57.6-53.5178.3-167.2-152.8122.900111.9L559 I568 K577 S581 Y582 R583L559-E579 HydrophobicContact CD1-CB 4.47Å; L559-E579 HydrophobicContact CD1-CG 3.84Å; I568-E579 HydrophobicContact CD1-CB 4.45Å; K577-E579 VanDerWaalsContact C-N 3.33Å; K577-E579 PolarHBondContact O-N 2.63Å; E579-S581 VanDerWaalsContact C-N 3.32Å; E579-S581 PolarHBondContact O-N 2.7Å; E579-Y582 PolarHBondContact O-N 2.92Å; E579-R583 VanDerWaalsContact CD-NH2 3.29Å; E579-R583 WeakPolarHBondContact O-CG 3.18Å; E579-R583 PolarHBondContact O-N 2.88Å; E579-R583 IonicContact OE1-CZ 3.11Å; E579-R583 IonicContact OE1-NE 2.76Å; E579-R583 PolarHBondContact OE1-NE 2.82Å; E579-R583 IonicContact OE1-NH2 3.66Å; E579-R583 PolarHBondContact OE1-NH2 3.32Å
580S95.3Very high95.2Very high44 Ų4460.2 Ų60.231%0.30829%0.293SS..Hα-helixtrans-58.7-40.6176.640.40000112.6K577 R583 E584K577-S580 PolarHBondContact O-N 3.31Å; K577-S580 VanDerWaalsContact O-N 3.15Å; K577-S580 PolarHBondContact O-OG 3.45Å; S580-R583 PolarHBondContact O-N 3.5Å; S580-E584 WeakPolarHBondContact O-CB 3.09Å; S580-E584 WeakPolarHBondContact O-CG 3.17Å; S580-E584 PolarHBondContact O-N 2.88Å
581S95.8Very high95.3Very high39 Ų3964 Ų6427%0.27331%0.311SS..Hα-helixtrans-66.1-38.9178.4-61.90000112.4K577 A578 E579 E584 L585K577-S581 PolarHBondContact O-N 2.79Å; K577-S581 PolarHBondContact O-OG 2.76Å; A578-S581 PolarHBondContact O-N 3.33Å; E579-S581 VanDerWaalsContact C-N 3.32Å; E579-S581 PolarHBondContact O-N 2.7Å; S581-E584 PolarHBondContact O-N 3.38Å; S581-L585 WeakPolarHBondContact O-CD1 3.4Å; S581-L585 VanDerWaalsContact O-CG 3.25Å; S581-L585 WeakPolarHBondContact O-CG 3.44Å; S581-L585 PolarHBondContact O-N 2.79Å
582Y96.8Very high95.4Very high16 Ų1666.8 Ų66.86%0.06333%0.325CS..Hα-helixtrans-67.1-40.5171.7-79.3-64.9000112.1Y555 I558 L562 A578 E579 E584 L585 I586Y555-Y582 HydrophobicContact CD1-CE1 4.42Å; I558-Y582 HydrophobicContact CG2-CE1 3.97Å; I558-Y582 HydrophobicContact CG2-CE2 4.06Å; L562-Y582 HydrophobicContact CD1-CD2 4.37Å; L562-Y582 HydrophobicContact CD1-CE2 3.97Å; A578-Y582 VanDerWaalsContact O-CD2 3.31Å; A578-Y582 WeakPolarHBondContact O-CD2 3.41Å; A578-Y582 PolarHBondContact O-N 3.37Å; E579-Y582 PolarHBondContact O-N 2.92Å; Y582-E584 VanDerWaalsContact C-N 3.34Å; Y582-E584 PolarHBondContact O-N 2.79Å; Y582-L585 HydrophobicContact CD1-CD1 4.3Å; Y582-L585 PolarHBondContact O-N 2.86Å; Y582-I586 WeakPolarHBondContact O-CB 3.39Å; Y582-I586 WeakPolarHBondContact O-CD1 3.04Å; Y582-I586 WeakPolarHBondContact O-CG1 3.29Å; Y582-I586 PolarHBondContact O-N 2.66Å
583R97.1Very high95.5Very high113 Ų11364.5 Ų64.543%0.42631%0.311SS..Hα-helixtrans-60.4-41.9174.5-67.2-172.1-163-59.64.8112.1L559 E563 E579 S580 I586 E587L559-R583 HydrophobicContact CD2-CG 3.67Å; E563-R583 IonicContact OE1-CZ 2.64Å; E563-R583 IonicContact OE1-NH1 3.64Å; E563-R583 PolarHBondContact OE1-NH1 3.48Å; E563-R583 IonicContact OE1-NH2 2.86Å; E563-R583 PolarHBondContact OE1-NH2 2.88Å; E579-R583 VanDerWaalsContact CD-NH2 3.29Å; E579-R583 WeakPolarHBondContact O-CG 3.18Å; E579-R583 PolarHBondContact O-N 2.88Å; E579-R583 IonicContact OE1-CZ 3.11Å; E579-R583 IonicContact OE1-NE 2.76Å; E579-R583 PolarHBondContact OE1-NE 2.82Å; E579-R583 IonicContact OE1-NH2 3.66Å; E579-R583 PolarHBondContact OE1-NH2 3.32Å; S580-R583 PolarHBondContact O-N 3.5Å; R583-I586 PolarHBondContact O-N 2.91Å; R583-E587 WeakPolarHBondContact O-CB 3.31Å; R583-E587 PolarHBondContact O-N 3.5Å; R583-E587 VanDerWaalsContact O-N 3.07Å
584E97.6Very high95.5Very high114 Ų11464.5 Ų64.553%0.53331%0.307SS..Hα-helixtrans-61.6-46.1174.1-74.5167.6-160.100112S580 S581 Y582 E587 Q588S580-E584 WeakPolarHBondContact O-CB 3.09Å; S580-E584 WeakPolarHBondContact O-CG 3.17Å; S580-E584 PolarHBondContact O-N 2.88Å; S581-E584 PolarHBondContact O-N 3.38Å; Y582-E584 VanDerWaalsContact C-N 3.34Å; Y582-E584 PolarHBondContact O-N 2.79Å; E584-E587 PolarHBondContact O-N 2.91Å; E584-Q588 VanDerWaalsContact O-CG 3.27Å; E584-Q588 WeakPolarHBondContact O-CG 3.37Å; E584-Q588 PolarHBondContact O-N 3.22Å
585L97.4Very high95.5Very high31 Ų3168.7 Ų68.716%0.16232%0.316CS..Hα-helixtrans-62.4-43.6177.2-72.5163.9000112.4Q531 Y555 S581 Y582 E587 Q588 Q589Q531-L585 VanDerWaalsContact NE2-CD1 3.31Å; Y555-L585 HydrophobicContact CD2-CB 3.81Å; Y555-L585 HydrophobicContact CE2-CB 3.98Å; Y555-L585 HydrophobicContact CE2-CD2 4.39Å; S581-L585 WeakPolarHBondContact O-CD1 3.4Å; S581-L585 VanDerWaalsContact O-CG 3.25Å; S581-L585 WeakPolarHBondContact O-CG 3.44Å; S581-L585 PolarHBondContact O-N 2.79Å; Y582-L585 HydrophobicContact CD1-CD1 4.3Å; Y582-L585 PolarHBondContact O-N 2.86Å; L585-E587 VanDerWaalsContact C-N 3.32Å; L585-E587 PolarHBondContact O-N 3.3Å; L585-Q588 PolarHBondContact O-N 3.45Å; L585-Q589 WeakPolarHBondContact O-CG 3.43Å; L585-Q589 PolarHBondContact O-N 3.35Å; L585-Q589 VanDerWaalsContact O-N 3.08Å
586I98.1Very high95.6Very high9 Ų965 Ų655%0.04630%0.301CS..Hα-helixtrans-59.5-42.1177-73.6164.8000111N556 L559 Y582 R583 Q589 K590N556-I586 HydrophobicContact CB-CD1 4.14Å; L559-I586 HydrophobicContact CB-CD1 4.19Å; L559-I586 HydrophobicContact CD2-CD1 3.58Å; Y582-I586 WeakPolarHBondContact O-CB 3.39Å; Y582-I586 WeakPolarHBondContact O-CD1 3.04Å; Y582-I586 WeakPolarHBondContact O-CG1 3.29Å; Y582-I586 PolarHBondContact O-N 2.66Å; R583-I586 PolarHBondContact O-N 2.91Å; I586-Q589 PolarHBondContact O-N 3.42Å; I586-K590 WeakPolarHBondContact O-CG 3.34Å; I586-K590 PolarHBondContact O-N 3Å
587E97.4Very high95.7Very high77 Ų7756.5 Ų56.536%0.3626%0.264SS..Hα-helixtrans-73.1-38.2178.7-178.552.1-144.400112.3R583 E584 L585 Q589 K590 Q591R583-E587 WeakPolarHBondContact O-CB 3.31Å; R583-E587 PolarHBondContact O-N 3.5Å; R583-E587 VanDerWaalsContact O-N 3.07Å; E584-E587 PolarHBondContact O-N 2.91Å; L585-E587 VanDerWaalsContact C-N 3.32Å; L585-E587 PolarHBondContact O-N 3.3Å; E587-Q589 VanDerWaalsContact C-N 3.28Å; E587-Q589 PolarHBondContact O-N 3.4Å; E587-K590 WeakPolarHBondContact O-CB 3.17Å; E587-K590 PolarHBondContact O-N 3.02Å; E587-K590 WeakPolarHBondContact OE2-CD 3.38Å; E587-Q591 WeakPolarHBondContact O-CG 3.35Å; E587-Q591 PolarHBondContact O-N 3.43Å; E587-Q591 PolarHBondContact OE1-NE2 3.43Å
588Q97.4Very high95.6Very high94 Ų9456.1 Ų56.144%0.43926%0.259SS..Hα-helixtrans-57.1-41.9171-72.5168.523.700111.7E584 L585 Q591 I592E584-Q588 VanDerWaalsContact O-CG 3.27Å; E584-Q588 WeakPolarHBondContact O-CG 3.37Å; E584-Q588 PolarHBondContact O-N 3.22Å; L585-Q588 PolarHBondContact O-N 3.45Å; Q588-Q591 PolarHBondContact O-N 2.84Å; Q588-I592 WeakPolarHBondContact O-CG1 3.36Å; Q588-I592 PolarHBondContact O-N 3.08Å
589Q98.1Very high95.4Very high16 Ų1660.6 Ų60.68%0.07528%0.278CS..Hα-helixtrans-66.3-40.7176.7-60.8-33.4-62.900112.6A548 L551 H552 Y555 L585 I586 E587 Q591 I592 Y593A548-Q589 HydrophobicContact CB-CB 4.44Å; A548-Q589 WeakPolarHBondContact O-CB 3.34Å; L551-Q589 HydrophobicContact CB-CG 3.74Å; H552-Q589 HydrophobicContact CB-CB 3.81Å; H552-Q589 HydrophobicContact CB-CG 4.4Å; Y555-Q589 HydrophobicContact CD2-CG 4.3Å; Y555-Q589 HydrophobicContact CE2-CG 4.33Å; L585-Q589 WeakPolarHBondContact O-CG 3.43Å; L585-Q589 PolarHBondContact O-N 3.35Å; L585-Q589 VanDerWaalsContact O-N 3.08Å; I586-Q589 PolarHBondContact O-N 3.42Å; E587-Q589 VanDerWaalsContact C-N 3.28Å; E587-Q589 PolarHBondContact O-N 3.4Å; Q589-Q591 VanDerWaalsContact C-N 3.27Å; Q589-Q591 PolarHBondContact O-N 3.47Å; Q589-I592 PolarHBondContact O-N 2.9Å; Q589-Y593 PolarHBondContact O-N 3.47Å
590K96.3Very high95.3Very high32 Ų3256.8 Ų56.814%0.13926%0.26CS..Hα-helixtrans-56.7-42.2173.2-72.2174.6-176.7174.50111.7H552 I586 E587 Y593 Q594 I658H552-K590 VanDerWaalsContact CE1-CE 3.43Å; H552-K590 WeakPolarHBondContact CE1-CE 3.37Å; I586-K590 WeakPolarHBondContact O-CG 3.34Å; I586-K590 PolarHBondContact O-N 3Å; E587-K590 WeakPolarHBondContact O-CB 3.17Å; E587-K590 PolarHBondContact O-N 3.02Å; E587-K590 WeakPolarHBondContact OE2-CD 3.38Å; K590-Y593 PolarHBondContact O-N 3.03Å; K590-Q594 WeakPolarHBondContact O-CB 3.22Å; K590-Q594 VanDerWaalsContact O-CG 3.24Å; K590-Q594 WeakPolarHBondContact O-CG 3.43Å; K590-Q594 PolarHBondContact O-N 3.31Å; K590-I658 HydrophobicContact CD-CG1 4.3Å; K590-I658 HydrophobicContact CG-CD1 4.03Å; K590-I658 HydrophobicContact CG-CG1 4.07Å
591Q96.1Very high95.1Very high80 Ų8055.5 Ų55.537%0.37425%0.25SS..Hα-helixtrans-69.2-34.7178.6-67.8174.623.100112.9E587 Q588 Q589 R595E587-Q591 WeakPolarHBondContact O-CG 3.35Å; E587-Q591 PolarHBondContact O-N 3.43Å; E587-Q591 PolarHBondContact OE1-NE2 3.43Å; Q588-Q591 PolarHBondContact O-N 2.84Å; Q589-Q591 VanDerWaalsContact C-N 3.27Å; Q589-Q591 PolarHBondContact O-N 3.47Å; Q591-R595 VanDerWaalsContact O-CG 3.27Å; Q591-R595 WeakPolarHBondContact O-CG 3.48Å; Q591-R595 PolarHBondContact O-N 3.02Å
592I96.2Very high94.9Very high62 Ų6258.2 Ų58.232%0.31826%0.258SS..Hα-helixtrans-66.4-47.1173-65.5163.1000110.1A548 Q588 Q589 Q594 R595A548-I592 HydrophobicContact CB-CB 3.92Å; A548-I592 HydrophobicContact CB-CG2 3.72Å; Q588-I592 WeakPolarHBondContact O-CG1 3.36Å; Q588-I592 PolarHBondContact O-N 3.08Å; Q589-I592 PolarHBondContact O-N 2.9Å; I592-Q594 PolarHBondContact O-N 3.34Å; I592-R595 WeakPolarHBondContact O-CB 3.24Å; I592-R595 PolarHBondContact O-N 2.77Å
593Y96.3Very high94.5Very high3 Ų361 Ų611%0.01227%0.272CS..Hα-helixtrans-57.7-45.7174.3164-96.7000112.4A545 I549 Q589 K590 R595 S596 W597 Q644 W647 I658 F705A545-Y593 HydrophobicContact CB-CD2 4.44Å; I549-Y593 HydrophobicContact CD1-CD2 3.72Å; I549-Y593 HydrophobicContact CD1-CE2 4.25Å; I549-Y593 HydrophobicContact CD1-CG 3.88Å; I549-Y593 HydrophobicContact CG1-CD2 3.8Å; I549-Y593 HydrophobicContact CG1-CE2 4.38Å; I549-Y593 HydrophobicContact CG1-CG 4.36Å; Q589-Y593 PolarHBondContact O-N 3.47Å; K590-Y593 PolarHBondContact O-N 3.03Å; Y593-R595 VanDerWaalsContact C-N 3.3Å; Y593-R595 PolarHBondContact O-N 3.37Å; Y593-S596 WeakPolarHBondContact O-CB 3.43Å; Y593-S596 PolarHBondContact O-N 3.36Å; Y593-S596 PolarHBondContact O-OG 3.36Å; Y593-W597 AromaticContact CE1-NE1 3.98Å; Y593-W597 AromaticContact CE2-NE1 3.92Å; Y593-W597 AromaticContact CZ-NE1 3.39Å; Y593-W597 PolarHBondContact OH-NE1 3.35Å; Y593-Q644 PolarHBondContact OH-OE1 3.01Å; Y593-Q644 VanDerWaalsContact OH-OE1 3.12Å; Y593-W647 HydrophobicContact CE2-CZ3 4.43Å; Y593-I658 HydrophobicContact CD1-CG2 3.93Å; Y593-I658 HydrophobicContact CE1-CG2 3.48Å; Y593-I658 VanDerWaalsContact CE1-CG2 3.48Å; Y593-F705 HydrophobicContact CE2-CE2 4.5Å; Y593-F705 AromaticContact CE2-CZ 3.7Å; Y593-F705 HydrophobicContact CE2-CZ 3.7Å; Y593-F705 AromaticContact CZ-CZ 3.73Å
594Q93.5Very high94.1Very high59 Ų5956 Ų5628%0.27625%0.254SS..Hα-helixtrans-60.8-35.3178.7-76.1168.511.400112.8K590 I592 S596 W597K590-Q594 WeakPolarHBondContact O-CB 3.22Å; K590-Q594 VanDerWaalsContact O-CG 3.24Å; K590-Q594 WeakPolarHBondContact O-CG 3.43Å; K590-Q594 PolarHBondContact O-N 3.31Å; I592-Q594 PolarHBondContact O-N 3.34Å; Q594-S596 PolarHBondContact O-N 2.96Å; Q594-W597 WeakPolarHBondContact O-CB 3.49Å; Q594-W597 PolarHBondContact O-N 3.22Å; Q594-W597 VanDerWaalsContact O-N 3.14Å
595R93.7Very high93.4Very high144 Ų14453 Ų5354%0.54324%0.243SC..Hα-helixtrans-62.2-25.5174.9-69.1164.9-165.7-171.65112.7Q591 I592 Y593 W597 Y598Q591-R595 VanDerWaalsContact O-CG 3.27Å; Q591-R595 WeakPolarHBondContact O-CG 3.48Å; Q591-R595 PolarHBondContact O-N 3.02Å; I592-R595 WeakPolarHBondContact O-CB 3.24Å; I592-R595 PolarHBondContact O-N 2.77Å; Y593-R595 VanDerWaalsContact C-N 3.3Å; Y593-R595 PolarHBondContact O-N 3.37Å; R595-W597 PolarHBondContact O-N 2.99Å; R595-Y598 HydrophobicContact CB-CD2 4.23Å; R595-Y598 HydrophobicContact CB-CE2 4.25Å; R595-Y598 HydrophobicContact CG-CD2 4.32Å; R595-Y598 HydrophobicContact CG-CE2 3.84Å; R595-Y598 VanDerWaalsContact O-CB 3.32Å; R595-Y598 WeakPolarHBondContact O-CB 3.04Å; R595-Y598 PolarHBondContact O-N 3.3Å
596S93.5Very high92.2Very high17 Ų1755.8 Ų55.812%0.11926%0.258CS..THydrogen-bonded Turntrans-61.3-23.7176.379.60000113.3A545 Y593 Q594 K599 Q644A545-S596 VanDerWaalsContact CB-CB 3.42Å; Y593-S596 WeakPolarHBondContact O-CB 3.43Å; Y593-S596 PolarHBondContact O-N 3.36Å; Y593-S596 PolarHBondContact O-OG 3.36Å; Q594-S596 PolarHBondContact O-N 2.96Å; S596-K599 VanDerWaalsContact O-CD 3.29Å; S596-K599 WeakPolarHBondContact O-CD 3.45Å; S596-K599 VanDerWaalsContact O-CE 3.31Å; S596-K599 WeakPolarHBondContact O-CE 3.49Å; S596-K599 VanDerWaalsContact O-CG 3.24Å; S596-K599 WeakPolarHBondContact O-CG 3.44Å; S596-Q644 PolarHBondContact OG-NE2 3.31Å
597W94.1Very high90.8Very high1 Ų163.2 Ų63.20%0.00429%0.286CS..THydrogen-bonded Turntrans-82.2-10.2176.8-72.479.2000113.8Y593 Q594 R595 K599 V600 T601 L637 L640 Q662 V666 I701 L704Y593-W597 AromaticContact CE1-NE1 3.98Å; Y593-W597 AromaticContact CE2-NE1 3.92Å; Y593-W597 AromaticContact CZ-NE1 3.39Å; Y593-W597 PolarHBondContact OH-NE1 3.35Å; Q594-W597 WeakPolarHBondContact O-CB 3.49Å; Q594-W597 PolarHBondContact O-N 3.22Å; Q594-W597 VanDerWaalsContact O-N 3.14Å; R595-W597 PolarHBondContact O-N 2.99Å; W597-K599 PolarHBondContact O-N 3.42Å; W597-V600 WeakPolarHBondContact O-CA 3.46Å; W597-V600 PolarHBondContact O-N 3.19Å; W597-T601 PolarHBondContact O-N 3.35Å; W597-T601 PolarHBondContact O-OG1 3.03Å; W597-L637 HydrophobicContact CH2-CD1 4.47Å; W597-L637 HydrophobicContact CZ3-CD1 3.87Å; W597-L640 HydrophobicContact CD2-CD1 3.66Å; W597-L640 HydrophobicContact CD2-CD2 3.97Å; W597-L640 VanDerWaalsContact CE2-CD2 3.48Å; W597-L640 HydrophobicContact CE3-CD1 3.85Å; W597-L640 HydrophobicContact CE3-CD2 4.18Å; W597-L640 HydrophobicContact CG-CD1 3.97Å; W597-L640 HydrophobicContact CH2-CD2 3.5Å; W597-L640 HydrophobicContact CZ2-CD1 4.48Å; W597-L640 HydrophobicContact CZ2-CD2 3.25Å; W597-L640 HydrophobicContact CZ3-CD1 4.33Å; W597-L640 HydrophobicContact CZ3-CD2 3.97Å; W597-Q662 VanDerWaalsContact CB-NE2 3.28Å; W597-Q662 HydrophobicContact CD2-CG 3.68Å; W597-Q662 VanDerWaalsContact CD2-NE2 3.35Å; W597-Q662 VanDerWaalsContact CE2-CG 3.41Å; W597-Q662 HydrophobicContact CE3-CG 4.25Å; W597-Q662 HydrophobicContact CG-CG 4.02Å; W597-Q662 HydrophobicContact CH2-CG 4.34Å; W597-Q662 HydrophobicContact CZ2-CG 3.77Å; W597-V666 HydrophobicContact CD2-CG2 4.37Å; W597-V666 HydrophobicContact CE3-CG2 3.61Å; W597-V666 HydrophobicContact CZ3-CG2 3.97Å; W597-I701 HydrophobicContact CH2-CD1 4.28Å; W597-I701 HydrophobicContact CH2-CG1 3.7Å; W597-I701 HydrophobicContact CZ3-CD1 4.22Å; W597-I701 HydrophobicContact CZ3-CG1 4.1Å; W597-L704 HydrophobicContact CH2-CD1 3.81Å; W597-L704 HydrophobicContact CZ2-CD1 3.53Å
598Y91.2Very high89.3Confident142 Ų14266.8 Ų66.856%0.55731%0.307SS*.Hα-helixtrans-61.4-27.7174.7-66.8-12.2000112.3R595 V600 T601 E602R595-Y598 HydrophobicContact CB-CD2 4.23Å; R595-Y598 HydrophobicContact CB-CE2 4.25Å; R595-Y598 HydrophobicContact CG-CD2 4.32Å; R595-Y598 HydrophobicContact CG-CE2 3.84Å; R595-Y598 VanDerWaalsContact O-CB 3.32Å; R595-Y598 WeakPolarHBondContact O-CB 3.04Å; R595-Y598 PolarHBondContact O-N 3.3Å; Y598-V600 PolarHBondContact O-N 3.18Å; Y598-T601 PolarHBondContact O-N 3.48Å; Y598-E602 VanDerWaalsContact O-CB 3.23Å; Y598-E602 WeakPolarHBondContact O-CB 3.24Å; Y598-E602 PolarHBondContact O-N 2.94Å
599K88.4Confident87.9Confident100 Ų10063.6 Ų63.644%0.43529%0.293SS..Hα-helixtrans-61.4-20.6171.576.6-162.8173.2-1790113.7S596 W597 H603S596-K599 VanDerWaalsContact O-CD 3.29Å; S596-K599 WeakPolarHBondContact O-CD 3.45Å; S596-K599 VanDerWaalsContact O-CE 3.31Å; S596-K599 WeakPolarHBondContact O-CE 3.49Å; S596-K599 VanDerWaalsContact O-CG 3.24Å; S596-K599 WeakPolarHBondContact O-CG 3.44Å; W597-K599 PolarHBondContact O-N 3.42Å; K599-H603 PolarHBondContact O-CD2 2.91Å; K599-H603 VanDerWaalsContact O-CD2 3.32Å
600V91.4Very high86.3Confident0 Ų064.2 Ų64.20%030%0.298CS..Hα-helixtrans-99.9-46.7175.6-174.70000110.5W597 Y598 F633 G636 L637 L640W597-V600 WeakPolarHBondContact O-CA 3.46Å; W597-V600 PolarHBondContact O-N 3.19Å; Y598-V600 PolarHBondContact O-N 3.18Å; V600-F633 HydrophobicContact CG1-CD2 3.67Å; V600-F633 HydrophobicContact CG1-CE2 3.7Å; V600-F633 HydrophobicContact CG1-CG 4.47Å; V600-G636 WeakPolarHBondContact CG2-O 3.45Å; V600-L637 HydrophobicContact CG1-CB 4.04Å; V600-L640 HydrophobicContact CG2-CB 4.18Å; V600-L640 HydrophobicContact CG2-CD1 3.57Å
601T91.1Very high84.9Confident17 Ų1767.6 Ų67.610%0.10433%0.332CS..Hα-helixtrans-74.5-25.7-175.161.70000113.7W597 Y598 H603 I604 T605 V666W597-T601 PolarHBondContact O-N 3.35Å; W597-T601 PolarHBondContact O-OG1 3.03Å; Y598-T601 PolarHBondContact O-N 3.48Å; T601-H603 VanDerWaalsContact C-N 3.26Å; T601-H603 PolarHBondContact O-N 3.08Å; T601-I604 WeakPolarHBondContact O-CG1 3.3Å; T601-I604 PolarHBondContact O-N 3.36Å; T601-I604 VanDerWaalsContact O-N 3.1Å; T601-T605 PolarHBondContact O-N 3.33Å; T601-V666 HydrophobicContact CG2-CG2 4.21Å
602E90.8Very high83.3Confident95 Ų9566.5 Ų66.544%0.44433%0.326SS..G310 helixtrans-60.6-36.1177.2-179.5155.5-130.400112.2Y598 I604 T605 R607Y598-E602 VanDerWaalsContact O-CB 3.23Å; Y598-E602 WeakPolarHBondContact O-CB 3.24Å; Y598-E602 PolarHBondContact O-N 2.94Å; E602-I604 PolarHBondContact O-N 2.81Å; E602-T605 PolarHBondContact O-N 2.75Å; E602-T605 VanDerWaalsContact O-N 3.08Å; E602-T605 PolarHBondContact O-OG1 2.93Å; E602-R607 WeakPolarHBondContact OE1-CD 3.42Å; E602-R607 IonicContact OE1-CZ 2.7Å; E602-R607 IonicContact OE1-NE 2.96Å; E602-R607 IonicContact OE1-NH1 2.61Å; E602-R607 PolarHBondContact OE1-NH1 3.01Å
603H89.1Confident81.6Confident74 Ų7470.4 Ų70.434%0.34334%0.343SS..G310 helixtrans-55.1-40.4175.3-71.8-63.8000112.2K599 T601 K629 G632 F633K599-H603 PolarHBondContact O-CD2 2.91Å; K599-H603 VanDerWaalsContact O-CD2 3.32Å; T601-H603 VanDerWaalsContact C-N 3.26Å; T601-H603 PolarHBondContact O-N 3.08Å; H603-K629 WeakPolarHBondContact O-CB 3.36Å; H603-K629 VanDerWaalsContact O-CD 3.25Å; H603-K629 WeakPolarHBondContact O-CD 3.39Å; H603-K629 WeakPolarHBondContact O-CG 3.4Å; H603-K629 PolarHBondContact O-NZ 3.34Å; H603-G632 PolarHBondContact CD2-O 3.02Å; H603-F633 HydrophobicContact CB-CB 4.34Å
604I88.3Confident79.8Confident10 Ų1076.6 Ų76.65%0.05138%0.384CS..G310 helixtrans-91.26.7-179.757.1171.2000114.5T601 E602 F633 A669 Y670 F673T601-I604 WeakPolarHBondContact O-CG1 3.3Å; T601-I604 PolarHBondContact O-N 3.36Å; T601-I604 VanDerWaalsContact O-N 3.1Å; E602-I604 PolarHBondContact O-N 2.81Å; I604-F633 HydrophobicContact CB-CD2 4.48Å; I604-F633 HydrophobicContact CD1-CD2 3.8Å; I604-F633 HydrophobicContact CD1-CE2 3.64Å; I604-F633 HydrophobicContact CG1-CD2 4.06Å; I604-F633 HydrophobicContact CG1-CE2 4.38Å; I604-F633 HydrophobicContact CG2-CB 3.83Å; I604-F633 HydrophobicContact CG2-CD2 3.61Å; I604-F633 HydrophobicContact CG2-CE2 4.41Å; I604-F633 HydrophobicContact CG2-CG 3.79Å; I604-A669 HydrophobicContact CD1-CB 3.64Å; I604-A669 HydrophobicContact CG1-CB 4.39Å; I604-Y670 HydrophobicContact CD1-CD2 4.46Å; I604-Y670 HydrophobicContact CG2-CD2 4.46Å; I604-F673 HydrophobicContact CB-CB 3.91Å; I604-F673 HydrophobicContact CB-CD1 4.16Å; I604-F673 HydrophobicContact CB-CD2 3.85Å; I604-F673 HydrophobicContact CB-CE2 4.41Å; I604-F673 HydrophobicContact CB-CG 3.71Å; I604-F673 HydrophobicContact CG2-CB 4.22Å; I604-F673 HydrophobicContact CG2-CD1 3.65Å; I604-F673 HydrophobicContact CG2-CD2 4.17Å; I604-F673 HydrophobicContact CG2-CE1 3.99Å; I604-F673 HydrophobicContact CG2-CE2 4.47Å; I604-F673 HydrophobicContact CG2-CG 3.75Å; I604-F673 HydrophobicContact CG2-CZ 4.4Å; I604-F673 WeakPolarHBondContact O-CD2 3.23Å
605T84.2Confident78.2Confident50 Ų5078 Ų7831%0.30741%0.414SS..SBendtrans-74.5161.3170.364.30000112.6T601 E602 R607 K629T601-T605 PolarHBondContact O-N 3.33Å; E602-T605 PolarHBondContact O-N 2.75Å; E602-T605 VanDerWaalsContact O-N 3.08Å; E602-T605 PolarHBondContact O-OG1 2.93Å; T605-R607 PolarHBondContact O-N 2.99Å; T605-R607 WeakPolarHBondContact OG1-CB 3.45Å; T605-R607 PolarHBondContact OG1-N 3.34Å; T605-K629 PolarHBondContact O-NZ 3.38Å
606D72.1Confident76.9Confident89 Ų8975.2 Ų75.248%0.47641%0.413SS..SBendtrans-67.1-6.7171.7-95.225.2000114.3N608 M609 R676D606-N608 PolarHBondContact O-N 3.17Å; D606-M609 WeakPolarHBondContact O-CB 3.35Å; D606-M609 WeakPolarHBondContact O-CG 3.47Å; D606-M609 PolarHBondContact O-N 3.15Å; D606-M609 VanDerWaalsContact O-N 3.13Å; D606-R676 IonicContact OD1-CZ 2.77Å; D606-R676 VanDerWaalsContact OD1-CZ 3.26Å; D606-R676 IonicContact OD1-NE 2.7Å; D606-R676 IonicContact OD1-NH1 2.71Å; D606-R676 PolarHBondContact OD1-NH1 3.5Å; D606-R676 IonicContact OD1-NH2 3.96Å; D606-R676 IonicContact OD2-CZ 2.67Å; D606-R676 IonicContact OD2-NH1 2.63Å; D606-R676 PolarHBondContact OD2-NH1 2.88Å; D606-R676 IonicContact OD2-NH2 2.85Å; D606-R676 PolarHBondContact OD2-NH2 3.04Å
607R69Low75.8Confident165 Ų16583.6 Ų83.662%0.62345%0.447SS*.THydrogen-bonded Turntrans-58.2130.2176.4-69-179.9166.7-173.9-4.7110.5E602 T605 M609 K629E602-R607 WeakPolarHBondContact OE1-CD 3.42Å; E602-R607 IonicContact OE1-CZ 2.7Å; E602-R607 IonicContact OE1-NE 2.96Å; E602-R607 IonicContact OE1-NH1 2.61Å; E602-R607 PolarHBondContact OE1-NH1 3.01Å; T605-R607 PolarHBondContact O-N 2.99Å; T605-R607 WeakPolarHBondContact OG1-CB 3.45Å; T605-R607 PolarHBondContact OG1-N 3.34Å; R607-M609 PolarHBondContact O-N 3.1Å; R607-K629 VanDerWaalsContact O-CE 3.24Å; R607-K629 WeakPolarHBondContact O-CE 3.35Å; R607-K629 PolarHBondContact O-NZ 3.33Å
608N64.8Low74.9Confident152 Ų15284.4 Ų84.481%0.81345%0.452SS*.THydrogen-bonded Turntrans60.220.3-178-56-29.5000115.3D606D606-N608 PolarHBondContact O-N 3.17Å
609M68.8Low74.4Confident28 Ų2884.4 Ų84.414%0.13845%0.454CS..  trans-75.1140.3170.7-68.4-48.3-49.300112.1D606 R607 F612 V625 I626 K629 Y677D606-M609 WeakPolarHBondContact O-CB 3.35Å; D606-M609 WeakPolarHBondContact O-CG 3.47Å; D606-M609 PolarHBondContact O-N 3.15Å; D606-M609 VanDerWaalsContact O-N 3.13Å; R607-M609 PolarHBondContact O-N 3.1Å; M609-F612 HydrophobicContact CE-CE2 4.05Å; M609-F612 HydrophobicContact CE-CZ 3.82Å; M609-V625 HydrophobicContact CE-CG1 4.43Å; M609-V625 HydrophobicContact SD-CG1 4.48Å; M609-I626 HydrophobicContact CE-CG1 3.92Å; M609-K629 HydrophobicContact CE-CD 4.46Å; M609-K629 HydrophobicContact SD-CD 3.28Å; M609-K629 WeakPolarHBondContact SD-CD 3.32Å; M609-K629 WeakPolarHBondContact SD-CE 3.27Å; M609-Y677 HydrophobicContact CE-CE1 4.05Å; M609-Y677 HydrophobicContact CE-CE2 4.4Å; M609-Y677 WeakPolarHBondContact CE-OH 3.46Å
610P64.6Low74Confident29 Ų2985.7 Ų85.719%0.18847%0.466CS..  trans-60.6145.7164.5-2032.3000111.7F612 E622P610-F612 HydrophobicContact CB-CD1 4.46Å; P610-F612 HydrophobicContact CB-CE1 3.87Å; P610-F612 HydrophobicContact CB-CZ 4.02Å; P610-F612 HydrophobicContact CG-CE1 4.19Å; P610-F612 HydrophobicContact CG-CZ 4.12Å; P610-F612 VanDerWaalsContact O-CD2 3.3Å; P610-F612 WeakPolarHBondContact O-CD2 3.29Å; P610-F612 WeakPolarHBondContact O-CE2 3.41Å; P610-F612 PolarHBondContact O-N 3.31Å; P610-E622 HydrophobicContact CB-CB 4.43Å; P610-E622 HydrophobicContact CB-CG 3.98Å; P610-E622 HydrophobicContact CG-CB 3.88Å; P610-E622 HydrophobicContact CG-CG 3.75Å
611A65.4Low73.6Confident103 Ų10394 Ų9485%0.85150%0.502SS*.  trans-79.2108.3170.700000109.8
612F64.1Low73.3Confident56 Ų5695 Ų9525%0.24651%0.506CS..PPolyproline II helixtrans-84.4120.9-176.7-53.1-71.7000111.6M609 P610 L618 I626 Y677M609-F612 HydrophobicContact CE-CE2 4.05Å; M609-F612 HydrophobicContact CE-CZ 3.82Å; P610-F612 HydrophobicContact CB-CD1 4.46Å; P610-F612 HydrophobicContact CB-CE1 3.87Å; P610-F612 HydrophobicContact CB-CZ 4.02Å; P610-F612 HydrophobicContact CG-CE1 4.19Å; P610-F612 HydrophobicContact CG-CZ 4.12Å; P610-F612 VanDerWaalsContact O-CD2 3.3Å; P610-F612 WeakPolarHBondContact O-CD2 3.29Å; P610-F612 WeakPolarHBondContact O-CE2 3.41Å; P610-F612 PolarHBondContact O-N 3.31Å; F612-L618 HydrophobicContact CD1-CD2 3.48Å; F612-L618 VanDerWaalsContact CD1-CD2 3.48Å; F612-L618 HydrophobicContact CE1-CD2 3.45Å; F612-L618 VanDerWaalsContact CE1-CD2 3.45Å; F612-I626 HydrophobicContact CE1-CD1 4.26Å; F612-I626 HydrophobicContact CZ-CD1 4.08Å; F612-Y677 HydrophobicContact CD2-CE1 4.44Å; F612-Y677 AromaticContact CE2-CE1 3.59Å; F612-Y677 HydrophobicContact CE2-CE1 3.59Å; F612-Y677 AromaticContact CE2-CZ 3.99Å; F612-Y677 WeakPolarHBondContact CE2-OH 3.45Å; F612-Y677 AromaticContact CZ-CE1 3.76Å; F612-Y677 HydrophobicContact CZ-CE1 3.76Å
613Q60.4Low73Confident144 Ų14493 Ų9367%0.67349%0.494SS*.PPolyproline II helixtrans-89.6124.7166.5-71.6-174.9-12.700109.4G615 T616Q613-G615 PolarHBondContact O-N 2.99Å; Q613-T616 HydrophobicContact CB-CG2 4.13Å; Q613-T616 PolarHBondContact O-N 3.41Å; Q613-T616 PolarHBondContact O-OG1 3.27Å
614P56.6Low72.9Confident134 Ų13493.1 Ų93.187%0.8750%0.495SS*.THydrogen-bonded Turntrans-51.8132.9179.1-28.635.8000112.7
615G60.6Low72.9Confident88 Ų8894.7 Ų94.791%0.90751%0.505SS*.THydrogen-bonded Turntrans87.8-10.7179.500000116.2Q613Q613-G615 PolarHBondContact O-N 2.99Å
616T67.1Low73.1Confident85 Ų8592.3 Ų92.352%0.52149%0.49SS..PPolyproline II helixtrans-81.9141.117659.40000112.4Q613Q613-T616 HydrophobicContact CB-CG2 4.13Å; Q613-T616 PolarHBondContact O-N 3.41Å; Q613-T616 PolarHBondContact O-OG1 3.27Å
617K69Low73.9Confident193 Ų19390.1 Ų90.184%0.83948%0.476SS*.PPolyproline II helixtrans-76.9123.1176.4-72.6-177.9179.3176.50110.1K619K617-K619 PolarHBondContact O-N 2.87Å
618L75.6Confident74.9Confident19 Ų1986.1 Ų86.110%0.09947%0.467CS..PPolyproline II helixtrans-53.5135.9174.9-62.9-174000112.5F612 E622 R623 I626 I680 F682F612-L618 HydrophobicContact CD1-CD2 3.48Å; F612-L618 VanDerWaalsContact CD1-CD2 3.48Å; F612-L618 HydrophobicContact CE1-CD2 3.45Å; F612-L618 VanDerWaalsContact CE1-CD2 3.45Å; L618-E622 WeakPolarHBondContact CA-OE2 3.43Å; L618-E622 HydrophobicContact CD2-CB 4.43Å; L618-R623 HydrophobicContact CB-CG 3.72Å; L618-R623 HydrophobicContact CD1-CG 3.97Å; L618-R623 PolarHBondContact O-NE 2.94Å; L618-R623 PolarHBondContact O-NH2 3.12Å; L618-I626 HydrophobicContact CD1-CD1 3.66Å; L618-I680 HydrophobicContact CD1-CG2 3.5Å; L618-I680 VanDerWaalsContact CD1-CG2 3.5Å; L618-I680 HydrophobicContact CD2-CG2 4.43Å; L618-I680 HydrophobicContact CG-CG2 4.03Å; L618-F682 HydrophobicContact CD1-CB 3.89Å
619K81.3Confident76.1Confident141 Ų14179.9 Ų79.961%0.61343%0.433SS*.PPolyproline II helixtrans-74155.5167.9-50.9-176-164.6100.20110.5K617 K621 E622 R623K617-K619 PolarHBondContact O-N 2.87Å; K619-K621 VanDerWaalsContact C-N 3.29Å; K619-K621 PolarHBondContact O-N 2.96Å; K619-E622 HydrophobicContact CB-CG 4.15Å; K619-E622 WeakPolarHBondContact CD-OE1 3.44Å; K619-E622 WeakPolarHBondContact CG-OE1 3.26Å; K619-E622 PolarHBondContact N-OE2 3.44Å; K619-E622 IonicContact NZ-OE1 2.75Å; K619-E622 PolarHBondContact NZ-OE1 3.01Å; K619-E622 WeakPolarHBondContact O-CA 3.32Å; K619-E622 WeakPolarHBondContact O-CB 3.42Å; K619-E622 PolarHBondContact O-N 3.09Å; K619-R623 WeakPolarHBondContact O-CG 3.49Å; K619-R623 PolarHBondContact O-N 3.47Å
620D80.6Confident77.2Confident128 Ų12878.5 Ų78.568%0.68443%0.426SS*.Hα-helixtrans-62.8-32.6-175.5-63.2-59.1000114.3E622 R623 Q624D620-E622 VanDerWaalsContact C-N 3.32Å; D620-E622 PolarHBondContact O-N 3.22Å; D620-R623 PolarHBondContact O-N 3.24Å; D620-R623 WeakPolarHBondContact OD1-CD 3.33Å; D620-R623 IonicContact OD1-NE 2.64Å; D620-Q624 WeakPolarHBondContact O-CB 3.3Å; D620-Q624 PolarHBondContact O-N 3.47Å
621K82.8Confident78.5Confident175 Ų17582.2 Ų82.276%0.76144%0.44SS*.Hα-helixtrans-61.9-38.5171.6-170.1175.2-177.5178.50112.4K619 Q624 V625K619-K621 VanDerWaalsContact C-N 3.29Å; K619-K621 PolarHBondContact O-N 2.96Å; K621-Q624 PolarHBondContact O-N 3.01Å; K621-V625 WeakPolarHBondContact O-CG2 3.39Å; K621-V625 PolarHBondContact O-N 2.9Å; K621-V625 VanDerWaalsContact O-N 3.08Å
622E83.6Confident79.8Confident36 Ų3678 Ų7817%0.16841%0.406CS..Hα-helixtrans-72.5-41.5179.9-58.7160.7-179.100110.3P610 L618 K619 D620 Q624 V625 I626P610-E622 HydrophobicContact CB-CB 4.43Å; P610-E622 HydrophobicContact CB-CG 3.98Å; P610-E622 HydrophobicContact CG-CB 3.88Å; P610-E622 HydrophobicContact CG-CG 3.75Å; L618-E622 WeakPolarHBondContact CA-OE2 3.43Å; L618-E622 HydrophobicContact CD2-CB 4.43Å; K619-E622 HydrophobicContact CB-CG 4.15Å; K619-E622 WeakPolarHBondContact CD-OE1 3.44Å; K619-E622 WeakPolarHBondContact CG-OE1 3.26Å; K619-E622 PolarHBondContact N-OE2 3.44Å; K619-E622 IonicContact NZ-OE1 2.75Å; K619-E622 PolarHBondContact NZ-OE1 3.01Å; K619-E622 WeakPolarHBondContact O-CA 3.32Å; K619-E622 WeakPolarHBondContact O-CB 3.42Å; K619-E622 PolarHBondContact O-N 3.09Å; D620-E622 VanDerWaalsContact C-N 3.32Å; D620-E622 PolarHBondContact O-N 3.22Å; E622-Q624 VanDerWaalsContact C-N 3.27Å; E622-Q624 PolarHBondContact O-N 2.94Å; E622-V625 PolarHBondContact O-N 2.9Å; E622-I626 WeakPolarHBondContact O-CG1 3.41Å; E622-I626 PolarHBondContact O-N 3.02Å
623R85.9Confident81.3Confident53 Ų5375.3 Ų75.320%0.239%0.394CS..Hα-helixtrans-58.3-39.8171-63.5171.5-174.6-81.5-16.1111.8L618 K619 D620 K627 S681L618-R623 HydrophobicContact CB-CG 3.72Å; L618-R623 HydrophobicContact CD1-CG 3.97Å; L618-R623 PolarHBondContact O-NE 2.94Å; L618-R623 PolarHBondContact O-NH2 3.12Å; K619-R623 WeakPolarHBondContact O-CG 3.49Å; K619-R623 PolarHBondContact O-N 3.47Å; D620-R623 PolarHBondContact O-N 3.24Å; D620-R623 WeakPolarHBondContact OD1-CD 3.33Å; D620-R623 IonicContact OD1-NE 2.64Å; R623-K627 WeakPolarHBondContact O-CG 3.46Å; R623-K627 PolarHBondContact O-N 3.46Å; R623-S681 PolarHBondContact NH1-O 3.25Å
624Q87.2Confident82.9Confident78 Ų7868.7 Ų68.736%0.36436%0.363SS..Hα-helixtrans-70.9-44.5-178.3-165.953.940.300111.7D620 K621 E622 I626 K627 D628D620-Q624 WeakPolarHBondContact O-CB 3.3Å; D620-Q624 PolarHBondContact O-N 3.47Å; K621-Q624 PolarHBondContact O-N 3.01Å; E622-Q624 VanDerWaalsContact C-N 3.27Å; E622-Q624 PolarHBondContact O-N 2.94Å; Q624-I626 VanDerWaalsContact C-N 3.28Å; Q624-I626 PolarHBondContact O-N 3.18Å; Q624-K627 WeakPolarHBondContact O-CB 3.41Å; Q624-K627 PolarHBondContact O-N 2.87Å; Q624-K627 VanDerWaalsContact O-N 3.08Å; Q624-D628 WeakPolarHBondContact CG-OD2 3.49Å; Q624-D628 PolarHBondContact NE2-OD1 3.35Å; Q624-D628 PolarHBondContact NE2-OD2 2.92Å; Q624-D628 VanDerWaalsContact O-CG 3.23Å; Q624-D628 PolarHBondContact O-N 3.47Å
625V87.7Confident84.7Confident43 Ų4365.9 Ų65.926%0.26134%0.341SS..Hα-helixtrans-55.4-40.6173.7169.80000112.4M609 K621 E622 D628 K629M609-V625 HydrophobicContact CE-CG1 4.43Å; M609-V625 HydrophobicContact SD-CG1 4.48Å; K621-V625 WeakPolarHBondContact O-CG2 3.39Å; K621-V625 PolarHBondContact O-N 2.9Å; K621-V625 VanDerWaalsContact O-N 3.08Å; E622-V625 PolarHBondContact O-N 2.9Å; V625-D628 PolarHBondContact O-N 3.09Å; V625-K629 HydrophobicContact CG1-CD 4.27Å; V625-K629 WeakPolarHBondContact O-CG 3.44Å; V625-K629 PolarHBondContact O-N 2.96Å
626I87.3Confident86.3Confident0 Ų062.5 Ų62.50%031%0.306CS..Hα-helixtrans-64.6-46.7176.3-63.9162.5000111M609 F612 L618 E622 Q624 D628 K629 F630 Y677 F682M609-I626 HydrophobicContact CE-CG1 3.92Å; F612-I626 HydrophobicContact CE1-CD1 4.26Å; F612-I626 HydrophobicContact CZ-CD1 4.08Å; L618-I626 HydrophobicContact CD1-CD1 3.66Å; E622-I626 WeakPolarHBondContact O-CG1 3.41Å; E622-I626 PolarHBondContact O-N 3.02Å; Q624-I626 VanDerWaalsContact C-N 3.28Å; Q624-I626 PolarHBondContact O-N 3.18Å; I626-D628 VanDerWaalsContact C-N 3.34Å; I626-D628 PolarHBondContact O-N 3.18Å; I626-K629 PolarHBondContact O-N 3.48Å; I626-F630 HydrophobicContact CG2-CD2 3.84Å; I626-F630 HydrophobicContact CG2-CE2 3.83Å; I626-F630 WeakPolarHBondContact O-CD2 3.49Å; I626-F630 PolarHBondContact O-N 2.87Å; I626-Y677 HydrophobicContact CD1-CD1 3.83Å; I626-Y677 HydrophobicContact CD1-CE1 3.92Å; I626-Y677 HydrophobicContact CG1-CD1 4.09Å; I626-Y677 HydrophobicContact CG1-CE1 4Å; I626-Y677 HydrophobicContact CG2-CD1 4.13Å; I626-Y677 HydrophobicContact CG2-CG 4.1Å; I626-F682 HydrophobicContact CB-CB 4.47Å; I626-F682 HydrophobicContact CB-CD2 4.28Å; I626-F682 HydrophobicContact CB-CG 4.28Å; I626-F682 HydrophobicContact CD1-CB 4.11Å; I626-F682 HydrophobicContact CG2-CB 4.27Å; I626-F682 HydrophobicContact CG2-CD1 3.74Å; I626-F682 HydrophobicContact CG2-CD2 3.74Å; I626-F682 HydrophobicContact CG2-CE1 3.94Å; I626-F682 HydrophobicContact CG2-CE2 3.93Å; I626-F682 HydrophobicContact CG2-CG 3.66Å; I626-F682 HydrophobicContact CG2-CZ 4.04Å
627K89.6Confident87.6Confident42 Ų4258.5 Ų58.518%0.18328%0.282CS..Hα-helixtrans-59.2-43.5176.4-70.3170.7-162.11650112.4R623 Q624 F630 K631 F682 Y689R623-K627 WeakPolarHBondContact O-CG 3.46Å; R623-K627 PolarHBondContact O-N 3.46Å; Q624-K627 WeakPolarHBondContact O-CB 3.41Å; Q624-K627 PolarHBondContact O-N 2.87Å; Q624-K627 VanDerWaalsContact O-N 3.08Å; K627-F630 PolarHBondContact O-N 3.5Å; K627-K631 WeakPolarHBondContact O-CB 2.97Å; K627-K631 PolarHBondContact O-N 3.14Å; K627-F682 HydrophobicContact CG-CD2 3.86Å; K627-F682 HydrophobicContact CG-CE2 3.99Å; K627-Y689 HydrophobicContact CB-CD1 4.05Å; K627-Y689 HydrophobicContact CB-CE1 3.44Å; K627-Y689 VanDerWaalsContact CB-CE1 3.44Å; K627-Y689 HydrophobicContact CD-CE2 4.45Å; K627-Y689 HydrophobicContact CG-CD1 4.3Å; K627-Y689 HydrophobicContact CG-CE1 3.78Å; K627-Y689 HydrophobicContact CG-CE2 4.05Å; K627-Y689 WeakPolarHBondContact O-CD1 3.37Å; K627-Y689 WeakPolarHBondContact O-CE1 3.32Å
628D90.2Very high88.8Confident81 Ų8152 Ų5243%0.43326%0.255SS..Hα-helixtrans-70.8-34.1-176.1-64-27.6000111.4Q624 V625 I626 K631 G632Q624-D628 WeakPolarHBondContact CG-OD2 3.49Å; Q624-D628 PolarHBondContact NE2-OD1 3.35Å; Q624-D628 PolarHBondContact NE2-OD2 2.92Å; Q624-D628 VanDerWaalsContact O-CG 3.23Å; Q624-D628 PolarHBondContact O-N 3.47Å; V625-D628 PolarHBondContact O-N 3.09Å; I626-D628 VanDerWaalsContact C-N 3.34Å; I626-D628 PolarHBondContact O-N 3.18Å; D628-K631 PolarHBondContact O-N 3.24Å; D628-G632 PolarHBondContact O-N 3.46Å
629K90Very high89.7Confident21 Ų2155.2 Ų55.29%0.09127%0.269CS..Hα-helixtrans-67.6-45.5171.3-77.5177.6161.1-91.30112.9H603 T605 R607 M609 V625 I626 K631 G632 F633 F673H603-K629 WeakPolarHBondContact O-CB 3.36Å; H603-K629 VanDerWaalsContact O-CD 3.25Å; H603-K629 WeakPolarHBondContact O-CD 3.39Å; H603-K629 WeakPolarHBondContact O-CG 3.4Å; H603-K629 PolarHBondContact O-NZ 3.34Å; T605-K629 PolarHBondContact O-NZ 3.38Å; R607-K629 VanDerWaalsContact O-CE 3.24Å; R607-K629 WeakPolarHBondContact O-CE 3.35Å; R607-K629 PolarHBondContact O-NZ 3.33Å; M609-K629 HydrophobicContact CE-CD 4.46Å; M609-K629 HydrophobicContact SD-CD 3.28Å; M609-K629 WeakPolarHBondContact SD-CD 3.32Å; M609-K629 WeakPolarHBondContact SD-CE 3.27Å; V625-K629 HydrophobicContact CG1-CD 4.27Å; V625-K629 WeakPolarHBondContact O-CG 3.44Å; V625-K629 PolarHBondContact O-N 2.96Å; I626-K629 PolarHBondContact O-N 3.48Å; K629-K631 VanDerWaalsContact C-N 3.33Å; K629-K631 PolarHBondContact O-N 2.88Å; K629-G632 PolarHBondContact O-N 2.82Å; K629-F633 WeakPolarHBondContact O-CB 3.29Å; K629-F633 PolarHBondContact O-N 2.83Å; K629-F673 HydrophobicContact CB-CE2 4.45Å; K629-F673 HydrophobicContact CB-CZ 3.8Å; K629-F673 HydrophobicContact CD-CE2 4.3Å; K629-F673 HydrophobicContact CD-CZ 4.39Å
630F91.6Very high90.3Very high0 Ų048.6 Ų48.60%024%0.24CC..Hα-helixtrans-61.1-41172.7-86.6-68.6000112.1I626 K627 N634 F673 L674 Y677 F682 Y689 H690I626-F630 HydrophobicContact CG2-CD2 3.84Å; I626-F630 HydrophobicContact CG2-CE2 3.83Å; I626-F630 WeakPolarHBondContact O-CD2 3.49Å; I626-F630 PolarHBondContact O-N 2.87Å; K627-F630 PolarHBondContact O-N 3.5Å; F630-N634 PolarHBondContact O-N 3.42Å; F630-N634 PolarHBondContact O-ND2 3.14Å; F630-F673 HydrophobicContact CD1-CD1 4.38Å; F630-F673 AromaticContact CD1-CE1 3.9Å; F630-F673 HydrophobicContact CD1-CE1 3.9Å; F630-F673 AromaticContact CD2-CE1 3.88Å; F630-F673 HydrophobicContact CD2-CE1 3.88Å; F630-F673 AromaticContact CE1-CD1 3.84Å; F630-F673 HydrophobicContact CE1-CD1 3.84Å; F630-F673 AromaticContact CE1-CE1 3.68Å; F630-F673 HydrophobicContact CE1-CE1 3.68Å; F630-F673 HydrophobicContact CE2-CD1 4.39Å; F630-F673 AromaticContact CE2-CE1 3.66Å; F630-F673 HydrophobicContact CE2-CE1 3.66Å; F630-F673 HydrophobicContact CE2-CZ 4.43Å; F630-F673 AromaticContact CG-CE1 3.99Å; F630-F673 HydrophobicContact CG-CE1 3.99Å; F630-F673 AromaticContact CZ-CD1 3.84Å; F630-F673 HydrophobicContact CZ-CD1 3.84Å; F630-F673 AromaticContact CZ-CE1 3.56Å; F630-F673 HydrophobicContact CZ-CE1 3.56Å; F630-L674 HydrophobicContact CE1-CD1 4.01Å; F630-L674 HydrophobicContact CZ-CD1 4.17Å; F630-Y677 HydrophobicContact CE2-CD2 4.31Å; F630-Y677 HydrophobicContact CE2-CG 4.37Å; F630-F682 HydrophobicContact CD2-CE1 4.37Å; F630-F682 HydrophobicContact CD2-CE2 4.28Å; F630-F682 AromaticContact CD2-CZ 3.76Å; F630-F682 HydrophobicContact CD2-CZ 3.76Å; F630-F682 AromaticContact CE2-CE1 3.9Å; F630-F682 HydrophobicContact CE2-CE1 3.9Å; F630-F682 AromaticContact CE2-CZ 3.74Å; F630-F682 HydrophobicContact CE2-CZ 3.74Å; F630-Y689 HydrophobicContact CB-CD1 3.92Å; F630-Y689 HydrophobicContact CB-CG 4.38Å; F630-Y689 WeakPolarHBondContact CD1-O 3.42Å; F630-H690 AromaticContact CE1-CD2 3.72Å; F630-H690 AromaticContact CE2-NE2 3.92Å; F630-H690 AromaticContact CZ-CD2 3.62Å; F630-H690 AromaticContact CZ-NE2 3.63Å
631K92.2Very high90.8Very high107 Ų10743.1 Ų43.147%0.46521%0.212SC..Hα-helixtrans-63.6-50.8176.2-175.5178.5-176.8-66.50111.5K627 D628 K629 F633 N634 D635K627-K631 WeakPolarHBondContact O-CB 2.97Å; K627-K631 PolarHBondContact O-N 3.14Å; D628-K631 PolarHBondContact O-N 3.24Å; K629-K631 VanDerWaalsContact C-N 3.33Å; K629-K631 PolarHBondContact O-N 2.88Å; K631-F633 VanDerWaalsContact C-N 3.3Å; K631-F633 PolarHBondContact O-N 3.45Å; K631-N634 PolarHBondContact O-N 2.62Å; K631-D635 WeakPolarHBondContact CG-OD2 3.25Å; K631-D635 IonicContact NZ-OD2 3.9Å; K631-D635 PolarHBondContact NZ-OD2 3.47Å; K631-D635 WeakPolarHBondContact O-CB 3.29Å; K631-D635 PolarHBondContact O-N 2.88Å
632G93.1Very high91.3Very high14 Ų1441.1 Ų41.114%0.14420%0.203CC..Hα-helixtrans-60-37.6179.200000113.2H603 D628 K629 G636H603-G632 PolarHBondContact CD2-O 3.02Å; D628-G632 PolarHBondContact O-N 3.46Å; K629-G632 PolarHBondContact O-N 2.82Å; G632-G636 WeakPolarHBondContact O-CA 3.37Å; G632-G636 PolarHBondContact O-N 2.9Å
633F94.9Very high91.7Very high0 Ų042 Ų420%021%0.209CC..Hα-helixtrans-63.9-51172.1179-92.4000112.5V600 H603 I604 K629 K631 G636 L637 V666 Y670 V697V600-F633 HydrophobicContact CG1-CD2 3.67Å; V600-F633 HydrophobicContact CG1-CE2 3.7Å; V600-F633 HydrophobicContact CG1-CG 4.47Å; H603-F633 HydrophobicContact CB-CB 4.34Å; I604-F633 HydrophobicContact CB-CD2 4.48Å; I604-F633 HydrophobicContact CD1-CD2 3.8Å; I604-F633 HydrophobicContact CD1-CE2 3.64Å; I604-F633 HydrophobicContact CG1-CD2 4.06Å; I604-F633 HydrophobicContact CG1-CE2 4.38Å; I604-F633 HydrophobicContact CG2-CB 3.83Å; I604-F633 HydrophobicContact CG2-CD2 3.61Å; I604-F633 HydrophobicContact CG2-CE2 4.41Å; I604-F633 HydrophobicContact CG2-CG 3.79Å; K629-F633 WeakPolarHBondContact O-CB 3.29Å; K629-F633 PolarHBondContact O-N 2.83Å; K631-F633 VanDerWaalsContact C-N 3.3Å; K631-F633 PolarHBondContact O-N 3.45Å; F633-G636 PolarHBondContact O-N 3.32Å; F633-L637 HydrophobicContact CE1-CD2 3.9Å; F633-L637 HydrophobicContact CZ-CD2 4.12Å; F633-L637 WeakPolarHBondContact O-CB 3.43Å; F633-L637 PolarHBondContact O-N 2.97Å; F633-V666 HydrophobicContact CE2-CG1 4.15Å; F633-V666 HydrophobicContact CZ-CG1 4.14Å; F633-Y670 AromaticContact CD1-CD2 3.72Å; F633-Y670 HydrophobicContact CD1-CD2 3.72Å; F633-Y670 AromaticContact CD1-CE2 3.41Å; F633-Y670 HydrophobicContact CD1-CE2 3.41Å; F633-Y670 VanDerWaalsContact CD1-CE2 3.41Å; F633-Y670 HydrophobicContact CD2-CD2 4.32Å; F633-Y670 AromaticContact CE1-CD2 3.29Å; F633-Y670 HydrophobicContact CE1-CD2 3.29Å; F633-Y670 AromaticContact CE1-CE2 3.23Å; F633-Y670 HydrophobicContact CE1-CE2 3.23Å; F633-Y670 HydrophobicContact CE1-CG 4.02Å; F633-Y670 AromaticContact CE1-CZ 3.93Å; F633-Y670 AromaticContact CE2-CD2 3.94Å; F633-Y670 HydrophobicContact CE2-CD2 3.94Å; F633-Y670 HydrophobicContact CG-CD2 4.22Å; F633-Y670 HydrophobicContact CG-CE2 4.2Å; F633-Y670 AromaticContact CZ-CD2 3.4Å; F633-Y670 HydrophobicContact CZ-CD2 3.4Å; F633-Y670 VanDerWaalsContact CZ-CD2 3.4Å; F633-Y670 AromaticContact CZ-CE2 3.89Å; F633-Y670 HydrophobicContact CZ-CE2 3.89Å; F633-Y670 AromaticContact CZ-CG 3.86Å; F633-Y670 HydrophobicContact CZ-CG 3.86Å; F633-V697 HydrophobicContact CE1-CG2 4.35Å; F633-V697 HydrophobicContact CZ-CG1 4.25Å; F633-V697 HydrophobicContact CZ-CG2 4.49Å
634N94.3Very high92.1Very high4 Ų439.5 Ų39.52%0.02120%0.199CC..Hα-helixtrans-62.9-53.6-178-65.6-22.7000110.8F630 K631 G636 L637 E638 Y689 K691 Y692F630-N634 PolarHBondContact O-N 3.42Å; F630-N634 PolarHBondContact O-ND2 3.14Å; K631-N634 PolarHBondContact O-N 2.62Å; N634-G636 VanDerWaalsContact C-N 3.31Å; N634-G636 PolarHBondContact O-N 3.37Å; N634-L637 PolarHBondContact O-N 3.09Å; N634-E638 WeakPolarHBondContact O-CB 3.46Å; N634-E638 VanDerWaalsContact O-CG 3.29Å; N634-E638 WeakPolarHBondContact O-CG 3.18Å; N634-E638 PolarHBondContact O-N 3.46Å; N634-Y689 PolarHBondContact ND2-O 3.17Å; N634-K691 HydrophobicContact CB-CD 4.48Å; N634-Y692 HydrophobicContact CB-CE2 4.43Å
635D94.3Very high92.2Very high75 Ų7540.1 Ų40.140%0.40120%0.2SC..Hα-helixtrans-58.2-42.7178.9-63.82000111.4K631 E639K631-D635 WeakPolarHBondContact CG-OD2 3.25Å; K631-D635 IonicContact NZ-OD2 3.9Å; K631-D635 PolarHBondContact NZ-OD2 3.47Å; K631-D635 WeakPolarHBondContact O-CB 3.29Å; K631-D635 PolarHBondContact O-N 2.88Å; D635-E639 WeakPolarHBondContact O-CB 3.47Å; D635-E639 PolarHBondContact O-N 3.16Å
636G94.3Very high92.4Very high18 Ų1842.8 Ų42.819%0.18622%0.217CC..Hα-helixtrans-70.6-38.518000000113.7V600 G632 F633 N634 L640V600-G636 WeakPolarHBondContact CG2-O 3.45Å; G632-G636 WeakPolarHBondContact O-CA 3.37Å; G632-G636 PolarHBondContact O-N 2.9Å; F633-G636 PolarHBondContact O-N 3.32Å; N634-G636 VanDerWaalsContact C-N 3.31Å; N634-G636 PolarHBondContact O-N 3.37Å; G636-L640 WeakPolarHBondContact O-CB 3.38Å; G636-L640 PolarHBondContact O-N 3.29Å
637L94.5Very high92.8Very high0 Ų043.4 Ų43.40%022%0.219CC..Hα-helixtrans-64.4-45.9173.8177.467.3000110.6W597 V600 F633 N634 C641 Y692 V697 M700W597-L637 HydrophobicContact CH2-CD1 4.47Å; W597-L637 HydrophobicContact CZ3-CD1 3.87Å; V600-L637 HydrophobicContact CG1-CB 4.04Å; F633-L637 HydrophobicContact CE1-CD2 3.9Å; F633-L637 HydrophobicContact CZ-CD2 4.12Å; F633-L637 WeakPolarHBondContact O-CB 3.43Å; F633-L637 PolarHBondContact O-N 2.97Å; N634-L637 PolarHBondContact O-N 3.09Å; L637-C641 VanDerWaalsContact O-CB 3.3Å; L637-C641 WeakPolarHBondContact O-CB 3.4Å; L637-C641 PolarHBondContact O-N 3.42Å; L637-C641 PolarHBondContact O-SG 2.94Å; L637-Y692 HydrophobicContact CD2-CD2 4.41Å; L637-V697 HydrophobicContact CD1-CG1 4.33Å; L637-V697 HydrophobicContact CD2-CB 4.4Å; L637-V697 HydrophobicContact CD2-CG1 3.94Å; L637-V697 HydrophobicContact CD2-CG2 3.92Å; L637-M700 HydrophobicContact CD2-CE 4.05Å; L637-M700 HydrophobicContact CD2-SD 4.24Å; L637-M700 HydrophobicContact CG-CE 3.9Å
638E94.4Very high93Very high58 Ų5841.8 Ų41.827%0.27121%0.214SC..Hα-helixtrans-63.3-47.7-179.5-73.7169.6-113.800112N634 K642 K691 Y692N634-E638 WeakPolarHBondContact O-CB 3.46Å; N634-E638 VanDerWaalsContact O-CG 3.29Å; N634-E638 WeakPolarHBondContact O-CG 3.18Å; N634-E638 PolarHBondContact O-N 3.46Å; E638-K642 WeakPolarHBondContact O-CB 3.42Å; E638-K642 PolarHBondContact O-N 2.88Å; E638-K691 WeakPolarHBondContact OE1-CE 3.42Å; E638-K691 IonicContact OE1-NZ 3.41Å; E638-K691 PolarHBondContact OE1-NZ 2.7Å; E638-K691 IonicContact OE2-NZ 3.45Å; E638-K691 PolarHBondContact OE2-NZ 2.96Å; E638-Y692 HydrophobicContact CG-CE2 4.19Å; E638-Y692 VanDerWaalsContact CG-OH 3.24Å; E638-Y692 WeakPolarHBondContact CG-OH 3.42Å; E638-Y692 PolarHBondContact OE1-OH 3.41Å; E638-Y692 PolarHBondContact OE2-OH 3.15Å
639E94.1Very high93.3Very high85 Ų8538 Ų3840%0.39719%0.193SC..Hα-helixtrans-69.1-39179.1-171.757.6-150.800112.1D635 K642 I643D635-E639 WeakPolarHBondContact O-CB 3.47Å; D635-E639 PolarHBondContact O-N 3.16Å; E639-K642 PolarHBondContact O-N 3.21Å; E639-K642 IonicContact OE1-NZ 2.8Å; E639-K642 PolarHBondContact OE1-NZ 2.91Å; E639-K642 IonicContact OE2-NZ 2.66Å; E639-K642 PolarHBondContact OE2-NZ 3.19Å; E639-I643 HydrophobicContact CG-CD1 4.04Å; E639-I643 VanDerWaalsContact O-CG1 3.3Å; E639-I643 WeakPolarHBondContact O-CG1 3.27Å; E639-I643 PolarHBondContact O-N 3.03Å
640L93.5Very high93.6Very high2 Ų239.9 Ų39.91%0.0121%0.208CC..Hα-helixtrans-63.3-49.8175.4-171.4165000110.8W597 V600 G636 K642 I643 Q644W597-L640 HydrophobicContact CD2-CD1 3.66Å; W597-L640 HydrophobicContact CD2-CD2 3.97Å; W597-L640 VanDerWaalsContact CE2-CD2 3.48Å; W597-L640 HydrophobicContact CE3-CD1 3.85Å; W597-L640 HydrophobicContact CE3-CD2 4.18Å; W597-L640 HydrophobicContact CG-CD1 3.97Å; W597-L640 HydrophobicContact CH2-CD2 3.5Å; W597-L640 HydrophobicContact CZ2-CD1 4.48Å; W597-L640 HydrophobicContact CZ2-CD2 3.25Å; W597-L640 HydrophobicContact CZ3-CD1 4.33Å; W597-L640 HydrophobicContact CZ3-CD2 3.97Å; V600-L640 HydrophobicContact CG2-CB 4.18Å; V600-L640 HydrophobicContact CG2-CD1 3.57Å; G636-L640 WeakPolarHBondContact O-CB 3.38Å; G636-L640 PolarHBondContact O-N 3.29Å; L640-K642 VanDerWaalsContact C-N 3.29Å; L640-K642 PolarHBondContact O-N 3.25Å; L640-I643 PolarHBondContact O-N 2.84Å; L640-Q644 HydrophobicContact CD2-CB 4.42Å; L640-Q644 HydrophobicContact CD2-CG 3.89Å; L640-Q644 VanDerWaalsContact CD2-OE1 3.23Å; L640-Q644 HydrophobicContact CG-CG 4.47Å; L640-Q644 WeakPolarHBondContact O-CB 3.37Å; L640-Q644 WeakPolarHBondContact O-CG 3.38Å; L640-Q644 PolarHBondContact O-N 3.34Å
641C92.3Very high93.7Very high14 Ų1441.6 Ų41.610%0.09522%0.217CC..Hα-helixtrans-61.8-37.3177.5-72.70000112.2L637 K645 M700 L704L637-C641 VanDerWaalsContact O-CB 3.3Å; L637-C641 WeakPolarHBondContact O-CB 3.4Å; L637-C641 PolarHBondContact O-N 3.42Å; L637-C641 PolarHBondContact O-SG 2.94Å; C641-K645 VanDerWaalsContact O-CB 3.29Å; C641-K645 WeakPolarHBondContact O-CB 3.48Å; C641-K645 PolarHBondContact O-N 3.43Å; C641-M700 HydrophobicContact CB-CE 4.23Å; C641-L704 HydrophobicContact CB-CD2 4.08Å
642K92.4Very high93.8Very high133 Ų13342.9 Ų42.958%0.57822%0.222SC*.Hα-helixtrans-61.9-42174.4165.3169.1156.7-85.80112.6E638 E639 L640E638-K642 WeakPolarHBondContact O-CB 3.42Å; E638-K642 PolarHBondContact O-N 2.88Å; E639-K642 PolarHBondContact O-N 3.21Å; E639-K642 IonicContact OE1-NZ 2.8Å; E639-K642 PolarHBondContact OE1-NZ 2.91Å; E639-K642 IonicContact OE2-NZ 2.66Å; E639-K642 PolarHBondContact OE2-NZ 3.19Å; L640-K642 VanDerWaalsContact C-N 3.29Å; L640-K642 PolarHBondContact O-N 3.25Å
643I92.2Very high93.9Very high55 Ų5548 Ų4828%0.28224%0.243SC..Hα-helixtrans-69.9-48.6176-68.8165.5000110.9E639 L640 K645 V646 W647E639-I643 HydrophobicContact CG-CD1 4.04Å; E639-I643 VanDerWaalsContact O-CG1 3.3Å; E639-I643 WeakPolarHBondContact O-CG1 3.27Å; E639-I643 PolarHBondContact O-N 3.03Å; L640-I643 PolarHBondContact O-N 2.84Å; I643-K645 VanDerWaalsContact C-N 3.34Å; I643-K645 PolarHBondContact O-N 2.9Å; I643-V646 WeakPolarHBondContact O-CG2 3.24Å; I643-W647 HydrophobicContact CG2-CH2 4.34Å; I643-W647 HydrophobicContact CG2-CZ2 3.49Å; I643-W647 VanDerWaalsContact CG2-CZ2 3.49Å; I643-W647 PolarHBondContact O-NE1 3.05Å
644Q93.1Very high93.9Very high0 Ų049.2 Ų49.20%025%0.249CC..Hα-helixtrans-80.4-11-171.4-61.7-168.2-9.600114.2Y593 S596 L640 V646 W647 L704Y593-Q644 PolarHBondContact OH-OE1 3.01Å; Y593-Q644 VanDerWaalsContact OH-OE1 3.12Å; S596-Q644 PolarHBondContact OG-NE2 3.31Å; L640-Q644 HydrophobicContact CD2-CB 4.42Å; L640-Q644 HydrophobicContact CD2-CG 3.89Å; L640-Q644 VanDerWaalsContact CD2-OE1 3.23Å; L640-Q644 HydrophobicContact CG-CG 4.47Å; L640-Q644 WeakPolarHBondContact O-CB 3.37Å; L640-Q644 WeakPolarHBondContact O-CG 3.38Å; L640-Q644 PolarHBondContact O-N 3.34Å; Q644-V646 PolarHBondContact O-N 3Å; Q644-W647 HydrophobicContact CB-CD2 4.3Å; Q644-W647 HydrophobicContact CB-CE3 4.17Å; Q644-W647 HydrophobicContact CG-CD2 4.06Å; Q644-W647 HydrophobicContact CG-CE3 3.69Å; Q644-W647 HydrophobicContact CG-CH2 3.78Å; Q644-W647 HydrophobicContact CG-CZ2 4.14Å; Q644-W647 HydrophobicContact CG-CZ3 3.56Å; Q644-W647 VanDerWaalsContact NE2-CZ3 3.35Å; Q644-W647 PolarHBondContact O-N 3.49Å; Q644-L704 HydrophobicContact CB-CD1 4.4Å; Q644-L704 HydrophobicContact CB-CD2 4.3Å
645K90.6Very high93.9Very high90 Ų9050.4 Ų50.439%0.39125%0.253SS..THydrogen-bonded Turntrans-61.5-30.2173.8179.4173.9177-70.70113C641 I643 A709C641-K645 VanDerWaalsContact O-CB 3.29Å; C641-K645 WeakPolarHBondContact O-CB 3.48Å; C641-K645 PolarHBondContact O-N 3.43Å; I643-K645 VanDerWaalsContact C-N 3.34Å; I643-K645 PolarHBondContact O-N 2.9Å; K645-A709 PolarHBondContact NZ-OXT 2.75Å
646V91.7Very high93.9Very high99 Ų9949.8 Ų49.860%0.625%0.249SC*.THydrogen-bonded Turntrans-92.97.1-179.5-57.80000113.7D472 I643 Q644D472-V646 WeakPolarHBondContact CA-O 3.09Å; D472-V646 VanDerWaalsContact CB-O 3.32Å; D472-V646 WeakPolarHBondContact CB-O 3.41Å; I643-V646 WeakPolarHBondContact O-CG2 3.24Å; Q644-V646 PolarHBondContact O-N 3Å
647W95.3Very high93.9Very high13 Ų1351.3 Ų51.35%0.04926%0.26CS..  trans-91.7152174.6-59.1-5000110.1D472 D543 A545 L546 I549 Y593 I643 Q644 F705D472-W647 CarbonylContact O-C 3.58Å; D472-W647 VanDerWaalsContact O-CA 3.28Å; D472-W647 WeakPolarHBondContact O-CA 3.2Å; D543-W647 HydrophobicContact CB-CH2 4.43Å; D543-W647 HydrophobicContact CB-CZ2 4.33Å; A545-W647 HydrophobicContact CB-CH2 3.82Å; A545-W647 HydrophobicContact CB-CZ3 3.84Å; L546-W647 HydrophobicContact CB-CD2 4.32Å; L546-W647 HydrophobicContact CB-CE3 4.49Å; L546-W647 HydrophobicContact CB-CH2 3.97Å; L546-W647 HydrophobicContact CB-CZ2 3.74Å; L546-W647 HydrophobicContact CB-CZ3 4.32Å; L546-W647 HydrophobicContact CD1-CB 4.47Å; L546-W647 HydrophobicContact CD1-CD2 3.86Å; L546-W647 HydrophobicContact CD1-CE3 4.43Å; L546-W647 HydrophobicContact CD1-CG 3.83Å; I549-W647 HydrophobicContact CG1-CE3 4.17Å; Y593-W647 HydrophobicContact CE2-CZ3 4.43Å; I643-W647 HydrophobicContact CG2-CH2 4.34Å; I643-W647 HydrophobicContact CG2-CZ2 3.49Å; I643-W647 VanDerWaalsContact CG2-CZ2 3.49Å; I643-W647 PolarHBondContact O-NE1 3.05Å; Q644-W647 HydrophobicContact CB-CD2 4.3Å; Q644-W647 HydrophobicContact CB-CE3 4.17Å; Q644-W647 HydrophobicContact CG-CD2 4.06Å; Q644-W647 HydrophobicContact CG-CE3 3.69Å; Q644-W647 HydrophobicContact CG-CH2 3.78Å; Q644-W647 HydrophobicContact CG-CZ2 4.14Å; Q644-W647 HydrophobicContact CG-CZ3 3.56Å; Q644-W647 VanDerWaalsContact NE2-CZ3 3.35Å; Q644-W647 PolarHBondContact O-N 3.49Å; W647-F705 HydrophobicContact CB-CD1 3.85Å; W647-F705 HydrophobicContact CB-CE1 3.76Å; W647-F705 HydrophobicContact CE3-CE1 4.16Å; W647-F705 WeakPolarHBondContact O-CA 3.41Å
648A94.9Very high93.9Very high9 Ų951.5 Ų51.57%0.07426%0.261CS..  trans-113.5144.6-17800000112.1D472 I549 N553D472-A648 HydrophobicContact CB-CB 3.92Å; D472-A648 PolarHBondContact O-N 2.94Å; D472-A648 VanDerWaalsContact OD2-CB 3.32Å; D472-A648 WeakPolarHBondContact OD2-CB 3.2Å; I549-A648 WeakPolarHBondContact CG2-O 3.29Å; N553-A648 PolarHBondContact ND2-O 2.95Å
649I96.3Very high93.9Very high0 Ų050.2 Ų50.20%025%0.254CS..  trans-133.196.1161.4-57.9174.2000106.1I549 D651 Q654 R655 I658 F705I549-I649 HydrophobicContact CD1-CD1 3.91Å; I549-I649 HydrophobicContact CD1-CG1 4.32Å; I549-I649 HydrophobicContact CG2-CG1 4.19Å; I649-D651 PolarHBondContact O-N 3.2Å; I649-Q654 HydrophobicContact CG2-CB 4.21Å; I649-R655 HydrophobicContact CB-CB 3.89Å; I649-R655 HydrophobicContact CB-CG 4.11Å; I649-R655 HydrophobicContact CG2-CB 3.73Å; I649-R655 HydrophobicContact CG2-CG 4.49Å; I649-R655 PolarHBondContact O-NH1 3.23Å; I649-I658 HydrophobicContact CD1-CB 4.44Å; I649-I658 HydrophobicContact CD1-CD1 3.89Å; I649-I658 HydrophobicContact CD1-CG2 4.25Å; I649-F705 HydrophobicContact CB-CB 4.22Å; I649-F705 HydrophobicContact CB-CG 4.42Å; I649-F705 HydrophobicContact CD1-CB 4.26Å; I649-F705 HydrophobicContact CD1-CD1 3.78Å; I649-F705 HydrophobicContact CD1-CD2 3.6Å; I649-F705 HydrophobicContact CD1-CE1 3.94Å; I649-F705 HydrophobicContact CD1-CE2 3.79Å; I649-F705 HydrophobicContact CD1-CG 3.6Å; I649-F705 HydrophobicContact CD1-CZ 3.96Å; I649-F705 HydrophobicContact CG1-CB 4.08Å; I649-F705 HydrophobicContact CG1-CD1 3.67Å; I649-F705 HydrophobicContact CG1-CD2 4.28Å; I649-F705 HydrophobicContact CG1-CE1 4.14Å; I649-F705 HydrophobicContact CG1-CG 3.75Å
650P94.8Very high93.9Very high61 Ų6150.7 Ų50.740%0.39626%0.256SS..  trans-63.2-42.4-172.7-25.935.6000113.2T474 N553 K652 R655T474-P650 WeakPolarHBondContact OG1-CG 3.43Å; N553-P650 WeakPolarHBondContact OD1-CD 3.3Å; P650-K652 PolarHBondContact O-N 2.97Å; P650-R655 PolarHBondContact O-NH1 3.38Å; P650-R655 VanDerWaalsContact O-NH1 3.13Å
651D95.1Very high93.9Very high36 Ų3651.9 Ų51.919%0.19327%0.266CS..  trans-65.2117.4178.1-174.1-56.9000110.6N556 K560 I649 E653 Q654 R655N556-D651 WeakPolarHBondContact ND2-CB 3.42Å; N556-D651 VanDerWaalsContact ND2-CG 3.31Å; N556-D651 PolarHBondContact ND2-OD2 3.46Å; K560-D651 WeakPolarHBondContact CE-OD2 3.18Å; I649-D651 PolarHBondContact O-N 3.2Å; D651-E653 WeakPolarHBondContact OD1-CA 3.31Å; D651-E653 WeakPolarHBondContact OD1-CB 3.2Å; D651-E653 PolarHBondContact OD1-N 2.99Å; D651-Q654 HydrophobicContact CB-CB 4.24Å; D651-Q654 HydrophobicContact CB-CG 4.09Å; D651-Q654 PolarHBondContact OD1-N 3.08Å; D651-R655 VanDerWaalsContact O-CB 3.25Å; D651-R655 WeakPolarHBondContact O-CB 3.41Å; D651-R655 PolarHBondContact O-N 3.39Å
652K94.1Very high94Very high134 Ų13451.5 Ų51.558%0.58326%0.263SS*.Hα-helixtrans-65-39.9-177.7-179.8175.2177.6-176.10112.6P650 R655 D656P650-K652 PolarHBondContact O-N 2.97Å; K652-R655 PolarHBondContact O-N 2.85Å; K652-D656 WeakPolarHBondContact CE-OD2 3.42Å; K652-D656 VanDerWaalsContact CG-OD2 3.25Å; K652-D656 WeakPolarHBondContact CG-OD2 3.12Å; K652-D656 VanDerWaalsContact O-CB 3.29Å; K652-D656 WeakPolarHBondContact O-CB 3.17Å; K652-D656 VanDerWaalsContact O-CG 3.23Å; K652-D656 PolarHBondContact O-N 2.83Å
653E94.2Very high94Very high122 Ų12248.6 Ų48.657%0.5725%0.248SC*.Hα-helixtrans-65.4-44-178-59.3175.1173.500110.3K560 D651 A657K560-E653 IonicContact NZ-OE2 3.66Å; K560-E653 PolarHBondContact NZ-OE2 3.15Å; D651-E653 WeakPolarHBondContact OD1-CA 3.31Å; D651-E653 WeakPolarHBondContact OD1-CB 3.2Å; D651-E653 PolarHBondContact OD1-N 2.99Å; E653-A657 WeakPolarHBondContact O-CB 3.26Å; E653-A657 PolarHBondContact O-N 3.03Å; E653-A657 VanDerWaalsContact O-N 3.07Å
654Q95.2Very high94.1Very high26 Ų2652.4 Ų52.412%0.12126%0.259CS..Hα-helixtrans-67.3-44.2176-58.8-48.2-48.300112.1H552 N556 I649 D651 A657 I658H552-Q654 VanDerWaalsContact NE2-CB 3.35Å; H552-Q654 WeakPolarHBondContact NE2-CB 3.29Å; N556-Q654 HydrophobicContact CB-CG 4.32Å; N556-Q654 VanDerWaalsContact OD1-CG 3.25Å; N556-Q654 WeakPolarHBondContact OD1-CG 3.35Å; N556-Q654 PolarHBondContact OD1-NE2 3.17Å; I649-Q654 HydrophobicContact CG2-CB 4.21Å; D651-Q654 HydrophobicContact CB-CB 4.24Å; D651-Q654 HydrophobicContact CB-CG 4.09Å; D651-Q654 PolarHBondContact OD1-N 3.08Å; Q654-A657 PolarHBondContact O-N 3.36Å; Q654-I658 WeakPolarHBondContact O-CB 3.41Å; Q654-I658 VanDerWaalsContact O-CG1 3.26Å; Q654-I658 WeakPolarHBondContact O-CG1 3.5Å; Q654-I658 PolarHBondContact O-N 3.28Å
655R95.3Very high94Very high28 Ų2855.6 Ų55.611%0.10628%0.279CS..Hα-helixtrans-60-51179.2-175.5175.363.2-110.53.3111.7I649 P650 D651 K652 A657 I658 R659 F705I649-R655 HydrophobicContact CB-CB 3.89Å; I649-R655 HydrophobicContact CB-CG 4.11Å; I649-R655 HydrophobicContact CG2-CB 3.73Å; I649-R655 HydrophobicContact CG2-CG 4.49Å; I649-R655 PolarHBondContact O-NH1 3.23Å; P650-R655 PolarHBondContact O-NH1 3.38Å; P650-R655 VanDerWaalsContact O-NH1 3.13Å; D651-R655 VanDerWaalsContact O-CB 3.25Å; D651-R655 WeakPolarHBondContact O-CB 3.41Å; D651-R655 PolarHBondContact O-N 3.39Å; K652-R655 PolarHBondContact O-N 2.85Å; R655-A657 VanDerWaalsContact C-N 3.32Å; R655-A657 PolarHBondContact O-N 2.89Å; R655-I658 PolarHBondContact O-N 3.34Å; R655-R659 WeakPolarHBondContact O-CB 3.14Å; R655-R659 VanDerWaalsContact O-CG 3.29Å; R655-R659 WeakPolarHBondContact O-CG 3.5Å; R655-R659 PolarHBondContact O-N 3.22Å; R655-F705 WeakPolarHBondContact CD-O 3.25Å; R655-F705 HydrophobicContact CG-CB 3.98Å
656D94.5Very high94.1Very high62 Ų6251.3 Ų51.333%0.33226%0.26SS..Hα-helixtrans-66.4-36.3-178.3-66.5-10.6000110.7K652 R659 H660K652-D656 WeakPolarHBondContact CE-OD2 3.42Å; K652-D656 VanDerWaalsContact CG-OD2 3.25Å; K652-D656 WeakPolarHBondContact CG-OD2 3.12Å; K652-D656 VanDerWaalsContact O-CB 3.29Å; K652-D656 WeakPolarHBondContact O-CB 3.17Å; K652-D656 VanDerWaalsContact O-CG 3.23Å; K652-D656 PolarHBondContact O-N 2.83Å; D656-R659 IonicContact OD1-NH1 3.75Å; D656-H660 VanDerWaalsContact O-CB 3.22Å; D656-H660 WeakPolarHBondContact O-CB 3.49Å; D656-H660 PolarHBondContact O-N 3.4Å
657A93.9Very high94.1Very high50 Ų5046.7 Ų46.741%0.41323%0.232SC..Hα-helixtrans-66.5-42.1173.200000113.4E653 Q654 R655 H660 A661E653-A657 WeakPolarHBondContact O-CB 3.26Å; E653-A657 PolarHBondContact O-N 3.03Å; E653-A657 VanDerWaalsContact O-N 3.07Å; Q654-A657 PolarHBondContact O-N 3.36Å; R655-A657 VanDerWaalsContact C-N 3.32Å; R655-A657 PolarHBondContact O-N 2.89Å; A657-H660 PolarHBondContact O-N 2.94Å; A657-A661 WeakPolarHBondContact O-CB 3.24Å; A657-A661 PolarHBondContact O-N 3.03Å
658I94.9Very high93.9Very high5 Ų551.6 Ų51.63%0.02626%0.255CS..Hα-helixtrans-67.4-45.4178-73.1165.5000110.5K590 Y593 I649 Q654 R655 H660 A661 Q662 F705K590-I658 HydrophobicContact CD-CG1 4.3Å; K590-I658 HydrophobicContact CG-CD1 4.03Å; K590-I658 HydrophobicContact CG-CG1 4.07Å; Y593-I658 HydrophobicContact CD1-CG2 3.93Å; Y593-I658 HydrophobicContact CE1-CG2 3.48Å; Y593-I658 VanDerWaalsContact CE1-CG2 3.48Å; I649-I658 HydrophobicContact CD1-CB 4.44Å; I649-I658 HydrophobicContact CD1-CD1 3.89Å; I649-I658 HydrophobicContact CD1-CG2 4.25Å; Q654-I658 WeakPolarHBondContact O-CB 3.41Å; Q654-I658 VanDerWaalsContact O-CG1 3.26Å; Q654-I658 WeakPolarHBondContact O-CG1 3.5Å; Q654-I658 PolarHBondContact O-N 3.28Å; R655-I658 PolarHBondContact O-N 3.34Å; I658-H660 PolarHBondContact O-N 2.92Å; I658-A661 PolarHBondContact O-N 3.24Å; I658-Q662 WeakPolarHBondContact O-CB 3.29Å; I658-Q662 PolarHBondContact O-N 3.44Å; I658-F705 HydrophobicContact CG2-CE2 4.32Å
659R94.6Very high93.8Very high30 Ų3052.8 Ų52.811%0.11327%0.265CS..Hα-helixtrans-53.4-53170.4-74.7171.7177.5-176.9-4.8110.8R655 D656 A661 Q662 R663 E702 L704 F705 D706R655-R659 WeakPolarHBondContact O-CB 3.14Å; R655-R659 VanDerWaalsContact O-CG 3.29Å; R655-R659 WeakPolarHBondContact O-CG 3.5Å; R655-R659 PolarHBondContact O-N 3.22Å; D656-R659 IonicContact OD1-NH1 3.75Å; R659-A661 PolarHBondContact O-N 2.99Å; R659-Q662 PolarHBondContact O-N 3.29Å; R659-R663 WeakPolarHBondContact O-CB 3.32Å; R659-R663 PolarHBondContact O-N 3.1Å; R659-E702 WeakPolarHBondContact CD-O 3.46Å; R659-E702 PolarHBondContact NE-O 3.26Å; R659-E702 VanDerWaalsContact NE-O 3.07Å; R659-E702 PolarHBondContact NH1-O 3.39Å; R659-E702 PolarHBondContact NH2-O 3.4Å; R659-L704 PolarHBondContact NE-O 3.29Å; R659-L704 PolarHBondContact NH2-O 3.44Å; R659-F705 VanDerWaalsContact NH2-C 3.35Å; R659-D706 IonicContact CZ-OD1 2.76Å; R659-D706 IonicContact NH1-OD1 3.4Å; R659-D706 PolarHBondContact NH1-OD1 3.44Å; R659-D706 VanDerWaalsContact NH1-OD1 3.15Å; R659-D706 VanDerWaalsContact NH2-N 3.13Å; R659-D706 IonicContact NH2-OD1 3.62Å; R659-D706 PolarHBondContact NH2-OD1 2.96Å; R659-D706 IonicContact NH2-OD2 3.59Å
660H93.9Very high93.6Very high96 Ų9652.8 Ų52.844%0.44427%0.265SS..Hα-helixtrans-60.9-45.4-177.1-174.2-82.8000112.9D656 A657 I658 R663 R664D656-H660 VanDerWaalsContact O-CB 3.22Å; D656-H660 WeakPolarHBondContact O-CB 3.49Å; D656-H660 PolarHBondContact O-N 3.4Å; A657-H660 PolarHBondContact O-N 2.94Å; I658-H660 PolarHBondContact O-N 2.92Å; H660-R663 PolarHBondContact CD2-NH2 3.49Å; H660-R663 PolarHBondContact NE2-NH2 2.92Å; H660-R663 VanDerWaalsContact NE2-NH2 3.13Å; H660-R664 PolarHBondContact O-N 3.18Å; H660-R664 VanDerWaalsContact O-N 3.1Å
661A93.3Very high93.5Very high27 Ų2753.7 Ų53.722%0.22326%0.261CS..Hα-helixtrans-61.2-46.4177.800000111.6A657 I658 R659 V665A657-A661 WeakPolarHBondContact O-CB 3.24Å; A657-A661 PolarHBondContact O-N 3.03Å; I658-A661 PolarHBondContact O-N 3.24Å; R659-A661 PolarHBondContact O-N 2.99Å; A661-V665 WeakPolarHBondContact O-CG2 3.46Å; A661-V665 PolarHBondContact O-N 3.13Å
662Q93.6Very high93.2Very high5 Ų554.7 Ų54.72%0.02327%0.274CS..Hα-helixtrans-70-42.7-178.4-163.358.453.100112.2W597 I658 R659 R664 V665 V666 I701W597-Q662 VanDerWaalsContact CB-NE2 3.28Å; W597-Q662 HydrophobicContact CD2-CG 3.68Å; W597-Q662 VanDerWaalsContact CD2-NE2 3.35Å; W597-Q662 VanDerWaalsContact CE2-CG 3.41Å; W597-Q662 HydrophobicContact CE3-CG 4.25Å; W597-Q662 HydrophobicContact CG-CG 4.02Å; W597-Q662 HydrophobicContact CH2-CG 4.34Å; W597-Q662 HydrophobicContact CZ2-CG 3.77Å; I658-Q662 WeakPolarHBondContact O-CB 3.29Å; I658-Q662 PolarHBondContact O-N 3.44Å; R659-Q662 PolarHBondContact O-N 3.29Å; Q662-R664 VanDerWaalsContact C-N 3.32Å; Q662-R664 PolarHBondContact O-N 2.62Å; Q662-V665 PolarHBondContact O-N 3.29Å; Q662-V666 HydrophobicContact CG-CG2 4.37Å; Q662-V666 VanDerWaalsContact NE2-CG2 3.33Å; Q662-V666 WeakPolarHBondContact O-CG2 3.32Å; Q662-V666 PolarHBondContact O-N 3.17Å; Q662-I701 HydrophobicContact CB-CG2 4.15Å; Q662-I701 HydrophobicContact CG-CG2 4.38Å
663R93.6Very high93Very high72 Ų7248.6 Ų48.627%0.27225%0.248SC..Hα-helixtrans-52.1-50.9174.1-177-173.773.61654.8110.7R659 H660 S667 E698 I701 E702R659-R663 WeakPolarHBondContact O-CB 3.32Å; R659-R663 PolarHBondContact O-N 3.1Å; H660-R663 PolarHBondContact CD2-NH2 3.49Å; H660-R663 PolarHBondContact NE2-NH2 2.92Å; H660-R663 VanDerWaalsContact NE2-NH2 3.13Å; R663-S667 WeakPolarHBondContact O-CB 3.48Å; R663-S667 PolarHBondContact O-N 2.6Å; R663-E698 HydrophobicContact CG-CB 3.84Å; R663-E698 HydrophobicContact CG-CG 3.69Å; R663-I701 HydrophobicContact CB-CG2 4.11Å; R663-E702 WeakPolarHBondContact CD-OE1 3.5Å; R663-E702 IonicContact CZ-OE1 3.37Å; R663-E702 IonicContact NE-OE1 3.85Å; R663-E702 IonicContact NH1-OE1 2.7Å; R663-E702 PolarHBondContact NH1-OE1 2.91Å
664R92.4Very high92.8Very high135 Ų13544.3 Ų44.351%0.50923%0.229SC..Hα-helixtrans-58.2-55.4178.4-174179.767.5-176.40111.7H660 Q662 V666 S667 E668H660-R664 PolarHBondContact O-N 3.18Å; H660-R664 VanDerWaalsContact O-N 3.1Å; Q662-R664 VanDerWaalsContact C-N 3.32Å; Q662-R664 PolarHBondContact O-N 2.62Å; R664-V666 PolarHBondContact O-N 2.87Å; R664-S667 PolarHBondContact O-N 2.7Å; R664-E668 WeakPolarHBondContact CD-OE1 3.35Å; R664-E668 HydrophobicContact CG-CG 4.19Å; R664-E668 WeakPolarHBondContact CG-OE1 3.38Å; R664-E668 WeakPolarHBondContact O-CB 3.32Å; R664-E668 VanDerWaalsContact O-CG 3.31Å; R664-E668 WeakPolarHBondContact O-CG 3.49Å; R664-E668 PolarHBondContact O-N 2.66Å
665V91.6Very high92.3Very high68 Ų6850 Ų5041%0.41226%0.255SS..Hα-helixtrans-61.8-43.6-174.1172.10000112.5A661 Q662 A669A661-V665 WeakPolarHBondContact O-CG2 3.46Å; A661-V665 PolarHBondContact O-N 3.13Å; Q662-V665 PolarHBondContact O-N 3.29Å; V665-A669 WeakPolarHBondContact O-CB 3.47Å; V665-A669 PolarHBondContact O-N 2.69Å
666V93.2Very high91.8Very high0 Ų053.7 Ų53.70%027%0.269CS..Hα-helixtrans-71.3-42.9179.5-179.20000110.9W597 T601 F633 Q662 R664 Y670 V697 I701W597-V666 HydrophobicContact CD2-CG2 4.37Å; W597-V666 HydrophobicContact CE3-CG2 3.61Å; W597-V666 HydrophobicContact CZ3-CG2 3.97Å; T601-V666 HydrophobicContact CG2-CG2 4.21Å; F633-V666 HydrophobicContact CE2-CG1 4.15Å; F633-V666 HydrophobicContact CZ-CG1 4.14Å; Q662-V666 HydrophobicContact CG-CG2 4.37Å; Q662-V666 VanDerWaalsContact NE2-CG2 3.33Å; Q662-V666 WeakPolarHBondContact O-CG2 3.32Å; Q662-V666 PolarHBondContact O-N 3.17Å; R664-V666 PolarHBondContact O-N 2.87Å; V666-Y670 VanDerWaalsContact O-CB 3.29Å; V666-Y670 WeakPolarHBondContact O-CB 3.46Å; V666-Y670 PolarHBondContact O-N 2.89Å; V666-V697 HydrophobicContact CG1-CG1 3.74Å; V666-I701 HydrophobicContact CB-CD1 3.75Å; V666-I701 HydrophobicContact CG1-CD1 4.07Å; V666-I701 HydrophobicContact CG2-CD1 3.98Å
667S91.6Very high91.2Very high1 Ų150.7 Ų50.71%0.00725%0.253CS..Hα-helixtrans-71.4-40.5-175.4-172.50000113R663 R664 A669 Y670 R671 E698R663-S667 WeakPolarHBondContact O-CB 3.48Å; R663-S667 PolarHBondContact O-N 2.6Å; R664-S667 PolarHBondContact O-N 2.7Å; S667-A669 PolarHBondContact O-N 2.66Å; S667-Y670 PolarHBondContact O-N 3.01Å; S667-R671 VanDerWaalsContact O-CB 3.29Å; S667-R671 WeakPolarHBondContact O-CB 3.29Å; S667-R671 VanDerWaalsContact O-CG 3.29Å; S667-R671 WeakPolarHBondContact O-CG 3.25Å; S667-R671 PolarHBondContact O-N 2.87Å; S667-R671 VanDerWaalsContact OG-CZ 3.3Å; S667-R671 PolarHBondContact OG-NH1 2.64Å; S667-E698 WeakPolarHBondContact CB-OE1 3.44Å; S667-E698 WeakPolarHBondContact OG-CG 3.24Å; S667-E698 PolarHBondContact OG-OE1 3.25Å
668E91.8Very high90.4Very high117 Ų11751.1 Ų51.155%0.54726%0.257SS..Hα-helixtrans-59.8-47.1173.8-74.2171.6175.500111.1R664 A672R664-E668 WeakPolarHBondContact CD-OE1 3.35Å; R664-E668 HydrophobicContact CG-CG 4.19Å; R664-E668 WeakPolarHBondContact CG-OE1 3.38Å; R664-E668 WeakPolarHBondContact O-CB 3.32Å; R664-E668 VanDerWaalsContact O-CG 3.31Å; R664-E668 WeakPolarHBondContact O-CG 3.49Å; R664-E668 PolarHBondContact O-N 2.66Å; E668-A672 WeakPolarHBondContact O-CB 3.29Å; E668-A672 PolarHBondContact O-N 3.21Å; E668-A672 VanDerWaalsContact O-N 3.09Å
669A91.7Very high89.5Confident34 Ų3458.7 Ų58.728%0.28130%0.297SS..Hα-helixtrans-62.9-44.417600000112.1I604 V665 S667 A672 F673I604-A669 HydrophobicContact CD1-CB 3.64Å; I604-A669 HydrophobicContact CG1-CB 4.39Å; V665-A669 WeakPolarHBondContact O-CB 3.47Å; V665-A669 PolarHBondContact O-N 2.69Å; S667-A669 PolarHBondContact O-N 2.66Å; A669-A672 PolarHBondContact O-N 3.36Å; A669-F673 WeakPolarHBondContact O-CB 3.25Å; A669-F673 PolarHBondContact O-N 2.85Å
670Y93.6Very high88.8Confident0 Ų059.5 Ų59.50%030%0.303CS..Hα-helixtrans-69.3-40.7-178.7-171-111.8000112.3I604 F633 V666 S667 F673 L674 Y692 P694 V697I604-Y670 HydrophobicContact CD1-CD2 4.46Å; I604-Y670 HydrophobicContact CG2-CD2 4.46Å; F633-Y670 AromaticContact CD1-CD2 3.72Å; F633-Y670 HydrophobicContact CD1-CD2 3.72Å; F633-Y670 AromaticContact CD1-CE2 3.41Å; F633-Y670 HydrophobicContact CD1-CE2 3.41Å; F633-Y670 VanDerWaalsContact CD1-CE2 3.41Å; F633-Y670 HydrophobicContact CD2-CD2 4.32Å; F633-Y670 AromaticContact CE1-CD2 3.29Å; F633-Y670 HydrophobicContact CE1-CD2 3.29Å; F633-Y670 AromaticContact CE1-CE2 3.23Å; F633-Y670 HydrophobicContact CE1-CE2 3.23Å; F633-Y670 HydrophobicContact CE1-CG 4.02Å; F633-Y670 AromaticContact CE1-CZ 3.93Å; F633-Y670 AromaticContact CE2-CD2 3.94Å; F633-Y670 HydrophobicContact CE2-CD2 3.94Å; F633-Y670 HydrophobicContact CG-CD2 4.22Å; F633-Y670 HydrophobicContact CG-CE2 4.2Å; F633-Y670 AromaticContact CZ-CD2 3.4Å; F633-Y670 HydrophobicContact CZ-CD2 3.4Å; F633-Y670 VanDerWaalsContact CZ-CD2 3.4Å; F633-Y670 AromaticContact CZ-CE2 3.89Å; F633-Y670 HydrophobicContact CZ-CE2 3.89Å; F633-Y670 AromaticContact CZ-CG 3.86Å; F633-Y670 HydrophobicContact CZ-CG 3.86Å; V666-Y670 VanDerWaalsContact O-CB 3.29Å; V666-Y670 WeakPolarHBondContact O-CB 3.46Å; V666-Y670 PolarHBondContact O-N 2.89Å; S667-Y670 PolarHBondContact O-N 3.01Å; Y670-F673 PolarHBondContact O-N 2.92Å; Y670-L674 HydrophobicContact CE1-CD2 4.27Å; Y670-L674 WeakPolarHBondContact O-CB 3.3Å; Y670-L674 PolarHBondContact O-N 3.21Å; Y670-Y692 PolarHBondContact OH-O 3.32Å; Y670-P694 HydrophobicContact CD1-CB 4.4Å; Y670-P694 HydrophobicContact CD1-CG 4.22Å; Y670-V697 HydrophobicContact CD1-CG2 4.04Å; Y670-V697 HydrophobicContact CE1-CG2 4.04Å
671R92Very high88.1Confident79 Ų7959.5 Ų59.530%0.29831%0.314SS..Hα-helixtrans-59.8-47.1173.9-76.4-179.7172.71237111S667 L674 Q675 P694 E695 E698S667-R671 VanDerWaalsContact O-CB 3.29Å; S667-R671 WeakPolarHBondContact O-CB 3.29Å; S667-R671 VanDerWaalsContact O-CG 3.29Å; S667-R671 WeakPolarHBondContact O-CG 3.25Å; S667-R671 PolarHBondContact O-N 2.87Å; S667-R671 VanDerWaalsContact OG-CZ 3.3Å; S667-R671 PolarHBondContact OG-NH1 2.64Å; R671-L674 PolarHBondContact O-N 3.35Å; R671-Q675 WeakPolarHBondContact O-CB 3.06Å; R671-Q675 VanDerWaalsContact O-CG 3.25Å; R671-Q675 WeakPolarHBondContact O-CG 3.45Å; R671-Q675 PolarHBondContact O-N 3.3Å; R671-P694 HydrophobicContact CG-CB 3.58Å; R671-P694 HydrophobicContact CG-CG 3.64Å; R671-E695 IonicContact CZ-OE1 2.7Å; R671-E695 IonicContact NE-OE1 2.87Å; R671-E695 IonicContact NH2-OE1 2.64Å; R671-E695 PolarHBondContact NH2-OE1 3.08Å; R671-E698 IonicContact CZ-OE1 3.26Å; R671-E698 IonicContact CZ-OE2 2.66Å; R671-E698 IonicContact NH1-OE1 3.97Å; R671-E698 PolarHBondContact NH1-OE1 3.45Å; R671-E698 IonicContact NH1-OE2 2.66Å; R671-E698 IonicContact NH2-OE1 3.22Å; R671-E698 PolarHBondContact NH2-OE1 3.21Å; R671-E698 IonicContact NH2-OE2 2.69Å; R671-E698 PolarHBondContact NH2-OE2 3.38Å
672A89.4Confident87.7Confident58 Ų5858.5 Ų58.548%0.47931%0.305SS..Hα-helixtrans-62.2-44.3177.700000112.4E668 A669 R676E668-A672 WeakPolarHBondContact O-CB 3.29Å; E668-A672 PolarHBondContact O-N 3.21Å; E668-A672 VanDerWaalsContact O-N 3.09Å; A669-A672 PolarHBondContact O-N 3.36Å; A672-R676 WeakPolarHBondContact O-CB 3.22Å; A672-R676 PolarHBondContact O-N 2.96Å
673F89.7Confident87.2Confident5 Ų559.6 Ų59.62%0.02231%0.312CS..Hα-helixtrans-64.7-46.7177.1-173.1-96.8000112I604 K629 F630 A669 Y670 R676 Y677I604-F673 HydrophobicContact CB-CB 3.91Å; I604-F673 HydrophobicContact CB-CD1 4.16Å; I604-F673 HydrophobicContact CB-CD2 3.85Å; I604-F673 HydrophobicContact CB-CE2 4.41Å; I604-F673 HydrophobicContact CB-CG 3.71Å; I604-F673 HydrophobicContact CG2-CB 4.22Å; I604-F673 HydrophobicContact CG2-CD1 3.65Å; I604-F673 HydrophobicContact CG2-CD2 4.17Å; I604-F673 HydrophobicContact CG2-CE1 3.99Å; I604-F673 HydrophobicContact CG2-CE2 4.47Å; I604-F673 HydrophobicContact CG2-CG 3.75Å; I604-F673 HydrophobicContact CG2-CZ 4.4Å; I604-F673 WeakPolarHBondContact O-CD2 3.23Å; K629-F673 HydrophobicContact CB-CE2 4.45Å; K629-F673 HydrophobicContact CB-CZ 3.8Å; K629-F673 HydrophobicContact CD-CE2 4.3Å; K629-F673 HydrophobicContact CD-CZ 4.39Å; F630-F673 HydrophobicContact CD1-CD1 4.38Å; F630-F673 AromaticContact CD1-CE1 3.9Å; F630-F673 HydrophobicContact CD1-CE1 3.9Å; F630-F673 AromaticContact CD2-CE1 3.88Å; F630-F673 HydrophobicContact CD2-CE1 3.88Å; F630-F673 AromaticContact CE1-CD1 3.84Å; F630-F673 HydrophobicContact CE1-CD1 3.84Å; F630-F673 AromaticContact CE1-CE1 3.68Å; F630-F673 HydrophobicContact CE1-CE1 3.68Å; F630-F673 HydrophobicContact CE2-CD1 4.39Å; F630-F673 AromaticContact CE2-CE1 3.66Å; F630-F673 HydrophobicContact CE2-CE1 3.66Å; F630-F673 HydrophobicContact CE2-CZ 4.43Å; F630-F673 AromaticContact CG-CE1 3.99Å; F630-F673 HydrophobicContact CG-CE1 3.99Å; F630-F673 AromaticContact CZ-CD1 3.84Å; F630-F673 HydrophobicContact CZ-CD1 3.84Å; F630-F673 AromaticContact CZ-CE1 3.56Å; F630-F673 HydrophobicContact CZ-CE1 3.56Å; A669-F673 WeakPolarHBondContact O-CB 3.25Å; A669-F673 PolarHBondContact O-N 2.85Å; Y670-F673 PolarHBondContact O-N 2.92Å; F673-R676 WeakPolarHBondContact O-CB 3.13Å; F673-R676 PolarHBondContact O-N 3.22Å; F673-Y677 HydrophobicContact CD1-CD2 4.21Å; F673-Y677 HydrophobicContact CD2-CD2 4.23Å; F673-Y677 AromaticContact CD2-CE2 3.73Å; F673-Y677 HydrophobicContact CD2-CE2 3.73Å; F673-Y677 HydrophobicContact CE1-CD2 4.01Å; F673-Y677 HydrophobicContact CE1-CE2 4.31Å; F673-Y677 HydrophobicContact CE2-CD2 4.03Å; F673-Y677 AromaticContact CE2-CE2 3.48Å; F673-Y677 HydrophobicContact CE2-CE2 3.48Å; F673-Y677 VanDerWaalsContact CE2-CE2 3.48Å; F673-Y677 HydrophobicContact CG-CD2 4.32Å; F673-Y677 HydrophobicContact CG-CE2 4.26Å; F673-Y677 AromaticContact CZ-CD2 3.91Å; F673-Y677 HydrophobicContact CZ-CD2 3.91Å; F673-Y677 AromaticContact CZ-CE2 3.79Å; F673-Y677 HydrophobicContact CZ-CE2 3.79Å; F673-Y677 WeakPolarHBondContact O-CD2 3.39Å; F673-Y677 PolarHBondContact O-N 3.44Å
674L88.3Confident86.7Confident33 Ų3365.7 Ų65.717%0.17334%0.34CS..Hα-helixtrans-62.5-45.6180-17466.3000111.6F630 Y670 R671 R676 Y677 A678 P694F630-L674 HydrophobicContact CE1-CD1 4.01Å; F630-L674 HydrophobicContact CZ-CD1 4.17Å; Y670-L674 HydrophobicContact CE1-CD2 4.27Å; Y670-L674 WeakPolarHBondContact O-CB 3.3Å; Y670-L674 PolarHBondContact O-N 3.21Å; R671-L674 PolarHBondContact O-N 3.35Å; L674-R676 VanDerWaalsContact C-N 3.29Å; L674-R676 PolarHBondContact O-N 3.47Å; L674-Y677 PolarHBondContact O-N 3.06Å; L674-A678 WeakPolarHBondContact O-CB 3.41Å; L674-A678 PolarHBondContact O-N 3.39Å; L674-P694 HydrophobicContact CD2-CG 4.1Å
675Q86.4Confident86.3Confident146 Ų14664.4 Ų64.468%0.68234%0.344SS*.Hα-helixtrans-58.3-40.3176.5-75.9175.21.300112.4R671 Y677R671-Q675 WeakPolarHBondContact O-CB 3.06Å; R671-Q675 VanDerWaalsContact O-CG 3.25Å; R671-Q675 WeakPolarHBondContact O-CG 3.45Å; R671-Q675 PolarHBondContact O-N 3.3Å; Q675-Y677 VanDerWaalsContact C-N 3.29Å; Q675-Y677 PolarHBondContact O-N 3.45Å
676R83.7Confident85.9Confident104 Ų10464.3 Ų64.339%0.39234%0.344SS..Hα-helixtrans-63.2-30.7180-172173.4-177.8145.7-13113.5D606 A672 F673 L674 I680D606-R676 IonicContact OD1-CZ 2.77Å; D606-R676 VanDerWaalsContact OD1-CZ 3.26Å; D606-R676 IonicContact OD1-NE 2.7Å; D606-R676 IonicContact OD1-NH1 2.71Å; D606-R676 PolarHBondContact OD1-NH1 3.5Å; D606-R676 IonicContact OD1-NH2 3.96Å; D606-R676 IonicContact OD2-CZ 2.67Å; D606-R676 IonicContact OD2-NH1 2.63Å; D606-R676 PolarHBondContact OD2-NH1 2.88Å; D606-R676 IonicContact OD2-NH2 2.85Å; D606-R676 PolarHBondContact OD2-NH2 3.04Å; A672-R676 WeakPolarHBondContact O-CB 3.22Å; A672-R676 PolarHBondContact O-N 2.96Å; F673-R676 WeakPolarHBondContact O-CB 3.13Å; F673-R676 PolarHBondContact O-N 3.22Å; L674-R676 VanDerWaalsContact C-N 3.29Å; L674-R676 PolarHBondContact O-N 3.47Å; R676-I680 VanDerWaalsContact O-CD1 3.25Å; R676-I680 WeakPolarHBondContact O-CD1 3.39Å
677Y81.8Confident85.4Confident0 Ų072.4 Ų72.40%038%0.382CS..Hα-helixtrans-107.4-9.5-178.6-59.3-65.6000114.8M609 F612 I626 F630 F673 L674 Q675 N679 I680M609-Y677 HydrophobicContact CE-CE1 4.05Å; M609-Y677 HydrophobicContact CE-CE2 4.4Å; M609-Y677 WeakPolarHBondContact CE-OH 3.46Å; F612-Y677 HydrophobicContact CD2-CE1 4.44Å; F612-Y677 AromaticContact CE2-CE1 3.59Å; F612-Y677 HydrophobicContact CE2-CE1 3.59Å; F612-Y677 AromaticContact CE2-CZ 3.99Å; F612-Y677 WeakPolarHBondContact CE2-OH 3.45Å; F612-Y677 AromaticContact CZ-CE1 3.76Å; F612-Y677 HydrophobicContact CZ-CE1 3.76Å; I626-Y677 HydrophobicContact CD1-CD1 3.83Å; I626-Y677 HydrophobicContact CD1-CE1 3.92Å; I626-Y677 HydrophobicContact CG1-CD1 4.09Å; I626-Y677 HydrophobicContact CG1-CE1 4Å; I626-Y677 HydrophobicContact CG2-CD1 4.13Å; I626-Y677 HydrophobicContact CG2-CG 4.1Å; F630-Y677 HydrophobicContact CE2-CD2 4.31Å; F630-Y677 HydrophobicContact CE2-CG 4.37Å; F673-Y677 HydrophobicContact CD1-CD2 4.21Å; F673-Y677 HydrophobicContact CD2-CD2 4.23Å; F673-Y677 AromaticContact CD2-CE2 3.73Å; F673-Y677 HydrophobicContact CD2-CE2 3.73Å; F673-Y677 HydrophobicContact CE1-CD2 4.01Å; F673-Y677 HydrophobicContact CE1-CE2 4.31Å; F673-Y677 HydrophobicContact CE2-CD2 4.03Å; F673-Y677 AromaticContact CE2-CE2 3.48Å; F673-Y677 HydrophobicContact CE2-CE2 3.48Å; F673-Y677 VanDerWaalsContact CE2-CE2 3.48Å; F673-Y677 HydrophobicContact CG-CD2 4.32Å; F673-Y677 HydrophobicContact CG-CE2 4.26Å; F673-Y677 AromaticContact CZ-CD2 3.91Å; F673-Y677 HydrophobicContact CZ-CD2 3.91Å; F673-Y677 AromaticContact CZ-CE2 3.79Å; F673-Y677 HydrophobicContact CZ-CE2 3.79Å; F673-Y677 WeakPolarHBondContact O-CD2 3.39Å; F673-Y677 PolarHBondContact O-N 3.44Å; L674-Y677 PolarHBondContact O-N 3.06Å; Q675-Y677 VanDerWaalsContact C-N 3.29Å; Q675-Y677 PolarHBondContact O-N 3.45Å; Y677-N679 VanDerWaalsContact C-N 3.29Å; Y677-N679 PolarHBondContact O-N 2.99Å; Y677-I680 HydrophobicContact CD1-CD1 3.94Å; Y677-I680 HydrophobicContact CE1-CD1 4.28Å; Y677-I680 PolarHBondContact O-N 2.95Å
678A78Confident85.2Confident59 Ų5979.5 Ų79.549%0.48841%0.413SS..Hα-helixtrans-52.8-42.4-179.500000113.7L674L674-A678 WeakPolarHBondContact O-CB 3.41Å; L674-A678 PolarHBondContact O-N 3.39Å
679N75.4Confident84.9Confident163 Ų16375.4 Ų75.487%0.87239%0.393SS*.THydrogen-bonded Turntrans-91.35.8-180-66.5-28.5000113.7Y677Y677-N679 VanDerWaalsContact C-N 3.29Å; Y677-N679 PolarHBondContact O-N 2.99Å
680I79.5Confident84.6Confident47 Ų4776.6 Ų76.624%0.24139%0.392CS..  trans-107110.3-174.5-60.4-174000109.5L618 R676 Y677 F682L618-I680 HydrophobicContact CD1-CG2 3.5Å; L618-I680 VanDerWaalsContact CD1-CG2 3.5Å; L618-I680 HydrophobicContact CD2-CG2 4.43Å; L618-I680 HydrophobicContact CG-CG2 4.03Å; R676-I680 VanDerWaalsContact O-CD1 3.25Å; R676-I680 WeakPolarHBondContact O-CD1 3.39Å; Y677-I680 HydrophobicContact CD1-CD1 3.94Å; Y677-I680 HydrophobicContact CE1-CD1 4.28Å; Y677-I680 PolarHBondContact O-N 2.95Å; I680-F682 VanDerWaalsContact O-CD1 3.29Å; I680-F682 WeakPolarHBondContact O-CD1 3.46Å; I680-F682 PolarHBondContact O-N 3.36Å
681S80.6Confident84.4Confident96 Ų9681.1 Ų81.167%0.67141%0.412SS*.  trans-69.988.1175.7-178.60000111.2R623R623-S681 PolarHBondContact NH1-O 3.25Å
682F83.3Confident84.3Confident6 Ų679.2 Ų79.23%0.02641%0.405CS..  trans-100.9-20.3178.671.2-95.5000114.3L618 I626 K627 F630 I680 Y689 H690L618-F682 HydrophobicContact CD1-CB 3.89Å; I626-F682 HydrophobicContact CB-CB 4.47Å; I626-F682 HydrophobicContact CB-CD2 4.28Å; I626-F682 HydrophobicContact CB-CG 4.28Å; I626-F682 HydrophobicContact CD1-CB 4.11Å; I626-F682 HydrophobicContact CG2-CB 4.27Å; I626-F682 HydrophobicContact CG2-CD1 3.74Å; I626-F682 HydrophobicContact CG2-CD2 3.74Å; I626-F682 HydrophobicContact CG2-CE1 3.94Å; I626-F682 HydrophobicContact CG2-CE2 3.93Å; I626-F682 HydrophobicContact CG2-CG 3.66Å; I626-F682 HydrophobicContact CG2-CZ 4.04Å; K627-F682 HydrophobicContact CG-CD2 3.86Å; K627-F682 HydrophobicContact CG-CE2 3.99Å; F630-F682 HydrophobicContact CD2-CE1 4.37Å; F630-F682 HydrophobicContact CD2-CE2 4.28Å; F630-F682 AromaticContact CD2-CZ 3.76Å; F630-F682 HydrophobicContact CD2-CZ 3.76Å; F630-F682 AromaticContact CE2-CE1 3.9Å; F630-F682 HydrophobicContact CE2-CE1 3.9Å; F630-F682 AromaticContact CE2-CZ 3.74Å; F630-F682 HydrophobicContact CE2-CZ 3.74Å; I680-F682 VanDerWaalsContact O-CD1 3.29Å; I680-F682 WeakPolarHBondContact O-CD1 3.46Å; I680-F682 PolarHBondContact O-N 3.36Å; F682-Y689 HydrophobicContact CE2-CD2 4.15Å; F682-Y689 HydrophobicContact CE2-CG 4.03Å; F682-Y689 HydrophobicContact CZ-CG 4.41Å; F682-H690 AromaticContact CE1-NE2 3.63Å; F682-H690 AromaticContact CZ-NE2 3.81Å
683T83.5Confident84.4Confident28 Ų2884.9 Ų84.917%0.17241%0.414CS..  trans-138.9158.6-175-176.40000111.8N685 P686 Y689T683-N685 PolarHBondContact OG1-N 2.82Å; T683-N685 VanDerWaalsContact OG1-N 3.15Å; T683-N685 PolarHBondContact OG1-O 3.32Å; T683-P686 HydrophobicContact CG2-CB 4.46Å; T683-P686 HydrophobicContact CG2-CG 4.4Å; T683-Y689 HydrophobicContact CG2-CD2 4.07Å
684K83Confident84.5Confident200 Ų20085.3 Ų85.387%0.8742%0.417SS*.SBendtrans-86.4-15.6168.7-68.4-173.4178.1-177.30113
685N85.3Confident84.7Confident109 Ų10988.5 Ų88.558%0.58343%0.431SS*.  trans-12784.7-176.9-59.257.6000108.4T683 Y689T683-N685 PolarHBondContact OG1-N 2.82Å; T683-N685 VanDerWaalsContact OG1-N 3.15Å; T683-N685 PolarHBondContact OG1-O 3.32Å; N685-Y689 WeakPolarHBondContact O-CD2 3.43Å
686P82.2Confident85Confident65 Ų6585.6 Ų85.642%0.42242%0.418SS..SBendtrans-64.6-40.9-175.1-23.835.6000113.5T683 K688 Y689 H690T683-P686 HydrophobicContact CG2-CB 4.46Å; T683-P686 HydrophobicContact CG2-CG 4.4Å; P686-K688 PolarHBondContact O-N 2.74Å; P686-K688 VanDerWaalsContact O-N 3.13Å; P686-Y689 PolarHBondContact O-N 2.95Å; P686-H690 PolarHBondContact O-N 3.08Å
687E83.7Confident85.5Confident171 Ų17180.6 Ų80.680%0.79940%0.399SS*.THydrogen-bonded Turntrans-57.1-29.8-176.2-60.5172.9165.100113.6Y689E687-Y689 PolarHBondContact O-N 2.9Å
688K85.4Confident86.1Confident150 Ų15082.2 Ų82.265%0.65241%0.406SS*.THydrogen-bonded Turntrans-66.1-22.2176.2-178.6168.3-178.8173.10113.2P686P686-K688 PolarHBondContact O-N 2.74Å; P686-K688 VanDerWaalsContact O-N 3.13Å
689Y85.6Confident86.8Confident31 Ų3183.8 Ų83.812%0.12240%0.403CS..THydrogen-bonded Turntrans-112.9-43.1-175-63.4-77.8000111.3K627 F630 N634 F682 T683 N685 P686 E687 K691K627-Y689 HydrophobicContact CB-CD1 4.05Å; K627-Y689 HydrophobicContact CB-CE1 3.44Å; K627-Y689 VanDerWaalsContact CB-CE1 3.44Å; K627-Y689 HydrophobicContact CD-CE2 4.45Å; K627-Y689 HydrophobicContact CG-CD1 4.3Å; K627-Y689 HydrophobicContact CG-CE1 3.78Å; K627-Y689 HydrophobicContact CG-CE2 4.05Å; K627-Y689 WeakPolarHBondContact O-CD1 3.37Å; K627-Y689 WeakPolarHBondContact O-CE1 3.32Å; F630-Y689 HydrophobicContact CB-CD1 3.92Å; F630-Y689 HydrophobicContact CB-CG 4.38Å; F630-Y689 WeakPolarHBondContact CD1-O 3.42Å; N634-Y689 PolarHBondContact ND2-O 3.17Å; F682-Y689 HydrophobicContact CE2-CD2 4.15Å; F682-Y689 HydrophobicContact CE2-CG 4.03Å; F682-Y689 HydrophobicContact CZ-CG 4.41Å; T683-Y689 HydrophobicContact CG2-CD2 4.07Å; N685-Y689 WeakPolarHBondContact O-CD2 3.43Å; P686-Y689 PolarHBondContact O-N 2.95Å; E687-Y689 PolarHBondContact O-N 2.9Å; Y689-K691 PolarHBondContact O-N 3.47Å
690H86.8Confident87.6Confident58 Ų5878 Ų7827%0.26937%0.372SS..SBendtrans-81.153.7168.3-54.2164.2000110.5F630 F682 P686 Y692F630-H690 AromaticContact CE1-CD2 3.72Å; F630-H690 AromaticContact CE2-NE2 3.92Å; F630-H690 AromaticContact CZ-CD2 3.62Å; F630-H690 AromaticContact CZ-NE2 3.63Å; F682-H690 AromaticContact CE1-NE2 3.63Å; F682-H690 AromaticContact CZ-NE2 3.81Å; P686-H690 PolarHBondContact O-N 3.08Å; H690-Y692 VanDerWaalsContact C-N 3.3Å; H690-Y692 PolarHBondContact O-N 2.73Å
691K88Confident88.3Confident96 Ų9675.8 Ų75.842%0.41736%0.361SS..  trans-68-28.6-173.4-176.4175.3173.6-177.60113N634 E638 Y689N634-K691 HydrophobicContact CB-CD 4.48Å; E638-K691 WeakPolarHBondContact OE1-CE 3.42Å; E638-K691 IonicContact OE1-NZ 3.41Å; E638-K691 PolarHBondContact OE1-NZ 2.7Å; E638-K691 IonicContact OE2-NZ 3.45Å; E638-K691 PolarHBondContact OE2-NZ 2.96Å; Y689-K691 PolarHBondContact O-N 3.47Å
692Y91.4Very high88.8Confident38 Ų3875 Ų7515%0.14935%0.346CS..SBendtrans-126143.1-177-62.2-72.6000111.1N634 L637 E638 Y670 H690 Q696 V697 M700N634-Y692 HydrophobicContact CB-CE2 4.43Å; L637-Y692 HydrophobicContact CD2-CD2 4.41Å; E638-Y692 HydrophobicContact CG-CE2 4.19Å; E638-Y692 VanDerWaalsContact CG-OH 3.24Å; E638-Y692 WeakPolarHBondContact CG-OH 3.42Å; E638-Y692 PolarHBondContact OE1-OH 3.41Å; E638-Y692 PolarHBondContact OE2-OH 3.15Å; Y670-Y692 PolarHBondContact OH-O 3.32Å; H690-Y692 VanDerWaalsContact C-N 3.3Å; H690-Y692 PolarHBondContact O-N 2.73Å; Y692-Q696 HydrophobicContact CD1-CB 4.39Å; Y692-V697 HydrophobicContact CG-CG2 4.49Å; Y692-M700 HydrophobicContact CD1-SD 3.99Å; Y692-M700 HydrophobicContact CE1-SD 3.65Å
693R90.9Very high89.2Confident177 Ų17781.7 Ų81.767%0.66837%0.371SS*.  trans-79.5152.6160.7-59.9-177.8-177.4-174.81109.3E695 Q696 V697R693-E695 PolarHBondContact O-N 2.7Å; R693-E695 VanDerWaalsContact O-N 3.16Å; R693-Q696 HydrophobicContact CB-CG 4.23Å; R693-Q696 WeakPolarHBondContact O-CB 3.15Å; R693-Q696 PolarHBondContact O-N 3.41Å; R693-V697 PolarHBondContact O-N 3.07Å; R693-V697 VanDerWaalsContact O-N 3.15Å
694P90.9Very high89.6Confident14 Ų1480.6 Ų80.69%0.09136%0.364CS..Hα-helixtrans-52.8-38176.3-24.833.6000113.1Y670 R671 L674 Q696 V697 E698Y670-P694 HydrophobicContact CD1-CB 4.4Å; Y670-P694 HydrophobicContact CD1-CG 4.22Å; R671-P694 HydrophobicContact CG-CB 3.58Å; R671-P694 HydrophobicContact CG-CG 3.64Å; L674-P694 HydrophobicContact CD2-CG 4.1Å; P694-Q696 VanDerWaalsContact C-N 3.26Å; P694-Q696 PolarHBondContact O-N 3.45Å; P694-V697 WeakPolarHBondContact O-CB 3.28Å; P694-V697 PolarHBondContact O-N 2.86Å; P694-V697 VanDerWaalsContact O-N 3.1Å; P694-E698 WeakPolarHBondContact O-CG 3.48Å; P694-E698 PolarHBondContact O-N 2.61Å
695E93.6Very high90Very high101 Ų10171.1 Ų71.147%0.47232%0.323SS..Hα-helixtrans-67.1-28.3-179.6-59.764.7-13100111.9R671 R693 E699R671-E695 IonicContact CZ-OE1 2.7Å; R671-E695 IonicContact NE-OE1 2.87Å; R671-E695 IonicContact NH2-OE1 2.64Å; R671-E695 PolarHBondContact NH2-OE1 3.08Å; R693-E695 PolarHBondContact O-N 2.7Å; R693-E695 VanDerWaalsContact O-N 3.16Å; E695-E699 WeakPolarHBondContact O-CB 3.45Å; E695-E699 PolarHBondContact O-N 3.18Å
696Q93.1Very high89.6Confident84 Ų8468.9 Ų68.939%0.39331%0.311SS..Hα-helixtrans-77.7-33.1173.5-63.4174.7-63.800111.7Y692 R693 P694 E698 E699 M700Y692-Q696 HydrophobicContact CD1-CB 4.39Å; R693-Q696 HydrophobicContact CB-CG 4.23Å; R693-Q696 WeakPolarHBondContact O-CB 3.15Å; R693-Q696 PolarHBondContact O-N 3.41Å; P694-Q696 VanDerWaalsContact C-N 3.26Å; P694-Q696 PolarHBondContact O-N 3.45Å; Q696-E698 VanDerWaalsContact C-N 3.32Å; Q696-E699 PolarHBondContact O-N 2.79Å; Q696-M700 WeakPolarHBondContact O-CB 3.44Å; Q696-M700 VanDerWaalsContact O-CG 3.26Å; Q696-M700 WeakPolarHBondContact O-CG 3.35Å; Q696-M700 PolarHBondContact O-N 2.98Å
697V92.9Very high88.6Confident0 Ų070.6 Ų70.60%032%0.321CS..Hα-helixtrans-65.7-39171.11800000110.2F633 L637 V666 Y670 Y692 R693 P694 M700 I701F633-V697 HydrophobicContact CE1-CG2 4.35Å; F633-V697 HydrophobicContact CZ-CG1 4.25Å; F633-V697 HydrophobicContact CZ-CG2 4.49Å; L637-V697 HydrophobicContact CD1-CG1 4.33Å; L637-V697 HydrophobicContact CD2-CB 4.4Å; L637-V697 HydrophobicContact CD2-CG1 3.94Å; L637-V697 HydrophobicContact CD2-CG2 3.92Å; V666-V697 HydrophobicContact CG1-CG1 3.74Å; Y670-V697 HydrophobicContact CD1-CG2 4.04Å; Y670-V697 HydrophobicContact CE1-CG2 4.04Å; Y692-V697 HydrophobicContact CG-CG2 4.49Å; R693-V697 PolarHBondContact O-N 3.07Å; R693-V697 VanDerWaalsContact O-N 3.15Å; P694-V697 WeakPolarHBondContact O-CB 3.28Å; P694-V697 PolarHBondContact O-N 2.86Å; P694-V697 VanDerWaalsContact O-N 3.1Å; V697-M700 PolarHBondContact O-N 2.9Å; V697-I701 HydrophobicContact CG1-CD1 4.24Å; V697-I701 WeakPolarHBondContact O-CD1 3.43Å; V697-I701 WeakPolarHBondContact O-CG1 3.37Å; V697-I701 PolarHBondContact O-N 2.78Å
698E94Very high86.8Confident34 Ų3467.8 Ų67.816%0.15932%0.32CS..Hα-helixtrans-63.1-48.7173.9-68.6175.5149.200111.6R663 S667 R671 P694 Q696 M700 I701 E702R663-E698 HydrophobicContact CG-CB 3.84Å; R663-E698 HydrophobicContact CG-CG 3.69Å; S667-E698 WeakPolarHBondContact CB-OE1 3.44Å; S667-E698 WeakPolarHBondContact OG-CG 3.24Å; S667-E698 PolarHBondContact OG-OE1 3.25Å; R671-E698 IonicContact CZ-OE1 3.26Å; R671-E698 IonicContact CZ-OE2 2.66Å; R671-E698 IonicContact NH1-OE1 3.97Å; R671-E698 PolarHBondContact NH1-OE1 3.45Å; R671-E698 IonicContact NH1-OE2 2.66Å; R671-E698 IonicContact NH2-OE1 3.22Å; R671-E698 PolarHBondContact NH2-OE1 3.21Å; R671-E698 IonicContact NH2-OE2 2.69Å; R671-E698 PolarHBondContact NH2-OE2 3.38Å; P694-E698 WeakPolarHBondContact O-CG 3.48Å; P694-E698 PolarHBondContact O-N 2.61Å; Q696-E698 VanDerWaalsContact C-N 3.32Å; E698-M700 VanDerWaalsContact C-N 3.33Å; E698-M700 PolarHBondContact O-N 3.31Å; E698-I701 PolarHBondContact O-N 3.48Å; E698-I701 VanDerWaalsContact O-N 3.13Å; E698-E702 WeakPolarHBondContact O-CG 3.37Å; E698-E702 PolarHBondContact O-N 2.88Å
699E93.2Very high84.4Confident91 Ų9165.5 Ų65.543%0.42533%0.329SS..Hα-helixtrans-60.4-38.4175.8-175.2-179.4-153.300112.9E695 Q696 I701 E702 R703E695-E699 WeakPolarHBondContact O-CB 3.45Å; E695-E699 PolarHBondContact O-N 3.18Å; Q696-E699 PolarHBondContact O-N 2.79Å; E699-I701 VanDerWaalsContact C-N 3.29Å; E699-I701 PolarHBondContact O-N 3.35Å; E699-E702 PolarHBondContact O-N 3.29Å; E699-R703 WeakPolarHBondContact O-CG 3.42Å; E699-R703 PolarHBondContact O-N 3.13Å; E699-R703 IonicContact OE1-CZ 2.67Å; E699-R703 IonicContact OE1-NE 2.6Å; E699-R703 IonicContact OE1-NH2 2.76Å; E699-R703 PolarHBondContact OE1-NH2 2.81Å; E699-R703 IonicContact OE2-NH2 2.71Å
700M93.4Very high84.4Confident41 Ų4167.2 Ų67.220%0.20234%0.339CS..Hα-helixtrans-63.2-33.7175.5-78174.966.200112.8L637 C641 Y692 Q696 V697 E698L637-M700 HydrophobicContact CD2-CE 4.05Å; L637-M700 HydrophobicContact CD2-SD 4.24Å; L637-M700 HydrophobicContact CG-CE 3.9Å; C641-M700 HydrophobicContact CB-CE 4.23Å; Y692-M700 HydrophobicContact CD1-SD 3.99Å; Y692-M700 HydrophobicContact CE1-SD 3.65Å; Q696-M700 WeakPolarHBondContact O-CB 3.44Å; Q696-M700 VanDerWaalsContact O-CG 3.26Å; Q696-M700 WeakPolarHBondContact O-CG 3.35Å; Q696-M700 PolarHBondContact O-N 2.98Å; V697-M700 PolarHBondContact O-N 2.9Å; E698-M700 VanDerWaalsContact C-N 3.33Å; E698-M700 PolarHBondContact O-N 3.31Å
701I93.4Very high84.3Confident2 Ų267.7 Ų67.71%0.0134%0.343CS..Hα-helixtrans-77.2-37.7177.4-65.9165.4000111W597 Q662 R663 V666 V697 E698 E699 R703 L704W597-I701 HydrophobicContact CH2-CD1 4.28Å; W597-I701 HydrophobicContact CH2-CG1 3.7Å; W597-I701 HydrophobicContact CZ3-CD1 4.22Å; W597-I701 HydrophobicContact CZ3-CG1 4.1Å; Q662-I701 HydrophobicContact CB-CG2 4.15Å; Q662-I701 HydrophobicContact CG-CG2 4.38Å; R663-I701 HydrophobicContact CB-CG2 4.11Å; V666-I701 HydrophobicContact CB-CD1 3.75Å; V666-I701 HydrophobicContact CG1-CD1 4.07Å; V666-I701 HydrophobicContact CG2-CD1 3.98Å; V697-I701 HydrophobicContact CG1-CD1 4.24Å; V697-I701 WeakPolarHBondContact O-CD1 3.43Å; V697-I701 WeakPolarHBondContact O-CG1 3.37Å; V697-I701 PolarHBondContact O-N 2.78Å; E698-I701 PolarHBondContact O-N 3.48Å; E698-I701 VanDerWaalsContact O-N 3.13Å; E699-I701 VanDerWaalsContact C-N 3.29Å; E699-I701 PolarHBondContact O-N 3.35Å; I701-R703 PolarHBondContact O-N 3.46Å; I701-L704 PolarHBondContact O-N 3.41Å
702E91.6Very high84.1Confident79 Ų7966.1 Ų66.137%0.36934%0.339SS..Hα-helixtrans-65.2-26.1179.9-74.6177.7-17400113.6R659 R663 E698 E699R659-E702 WeakPolarHBondContact CD-O 3.46Å; R659-E702 PolarHBondContact NE-O 3.26Å; R659-E702 VanDerWaalsContact NE-O 3.07Å; R659-E702 PolarHBondContact NH1-O 3.39Å; R659-E702 PolarHBondContact NH2-O 3.4Å; R663-E702 WeakPolarHBondContact CD-OE1 3.5Å; R663-E702 IonicContact CZ-OE1 3.37Å; R663-E702 IonicContact NE-OE1 3.85Å; R663-E702 IonicContact NH1-OE1 2.7Å; R663-E702 PolarHBondContact NH1-OE1 2.91Å; E698-E702 WeakPolarHBondContact O-CG 3.37Å; E698-E702 PolarHBondContact O-N 2.88Å; E699-E702 PolarHBondContact O-N 3.29Å
703R91.1Very high83.6Confident146 Ų14667.8 Ų67.855%0.55135%0.35SS*.THydrogen-bonded Turntrans-82.8-4.8177.3-65.7169.3-179.7-1643.6114.7E699 I701E699-R703 WeakPolarHBondContact O-CG 3.42Å; E699-R703 PolarHBondContact O-N 3.13Å; E699-R703 IonicContact OE1-CZ 2.67Å; E699-R703 IonicContact OE1-NE 2.6Å; E699-R703 IonicContact OE1-NH2 2.76Å; E699-R703 PolarHBondContact OE1-NH2 2.81Å; E699-R703 IonicContact OE2-NH2 2.71Å; I701-R703 PolarHBondContact O-N 3.46Å
704L92.7Very high83.2Confident5 Ų560.9 Ų60.93%0.02633%0.33CS..THydrogen-bonded Turntrans-76.8140.6178.2-57.7179.1000110.4W597 C641 Q644 R659 I701 D706W597-L704 HydrophobicContact CH2-CD1 3.81Å; W597-L704 HydrophobicContact CZ2-CD1 3.53Å; C641-L704 HydrophobicContact CB-CD2 4.08Å; Q644-L704 HydrophobicContact CB-CD1 4.4Å; Q644-L704 HydrophobicContact CB-CD2 4.3Å; R659-L704 PolarHBondContact NE-O 3.29Å; R659-L704 PolarHBondContact NH2-O 3.44Å; I701-L704 PolarHBondContact O-N 3.41Å; L704-D706 VanDerWaalsContact C-N 3.35Å; L704-D706 PolarHBondContact O-N 2.99Å
705F90.9Very high82.7Confident1 Ų164.1 Ų64.10%0.00435%0.346CS..THydrogen-bonded Turntrans6916.1-176.5-37.7-75.1000116.9I549 Y593 W647 I649 R655 I658 R659 T707I549-F705 HydrophobicContact CD1-CE1 4.27Å; I549-F705 HydrophobicContact CD1-CZ 4.26Å; I549-F705 HydrophobicContact CG1-CE1 4.28Å; Y593-F705 HydrophobicContact CE2-CE2 4.5Å; Y593-F705 AromaticContact CE2-CZ 3.7Å; Y593-F705 HydrophobicContact CE2-CZ 3.7Å; Y593-F705 AromaticContact CZ-CZ 3.73Å; W647-F705 HydrophobicContact CB-CD1 3.85Å; W647-F705 HydrophobicContact CB-CE1 3.76Å; W647-F705 HydrophobicContact CE3-CE1 4.16Å; W647-F705 WeakPolarHBondContact O-CA 3.41Å; I649-F705 HydrophobicContact CB-CB 4.22Å; I649-F705 HydrophobicContact CB-CG 4.42Å; I649-F705 HydrophobicContact CD1-CB 4.26Å; I649-F705 HydrophobicContact CD1-CD1 3.78Å; I649-F705 HydrophobicContact CD1-CD2 3.6Å; I649-F705 HydrophobicContact CD1-CE1 3.94Å; I649-F705 HydrophobicContact CD1-CE2 3.79Å; I649-F705 HydrophobicContact CD1-CG 3.6Å; I649-F705 HydrophobicContact CD1-CZ 3.96Å; I649-F705 HydrophobicContact CG1-CB 4.08Å; I649-F705 HydrophobicContact CG1-CD1 3.67Å; I649-F705 HydrophobicContact CG1-CD2 4.28Å; I649-F705 HydrophobicContact CG1-CE1 4.14Å; I649-F705 HydrophobicContact CG1-CG 3.75Å; R655-F705 WeakPolarHBondContact CD-O 3.25Å; R655-F705 HydrophobicContact CG-CB 3.98Å; I658-F705 HydrophobicContact CG2-CE2 4.32Å; R659-F705 VanDerWaalsContact NH2-C 3.35Å; F705-T707 PolarHBondContact O-N 3.24Å
706D77.1Confident81.9Confident62 Ų6261.4 Ų61.433%0.33234%0.337SS..  trans-72.6121.4172.2-83.8-35.2000110.7R659 L704 S708 A709R659-D706 IonicContact CZ-OD1 2.76Å; R659-D706 IonicContact NH1-OD1 3.4Å; R659-D706 PolarHBondContact NH1-OD1 3.44Å; R659-D706 VanDerWaalsContact NH1-OD1 3.15Å; R659-D706 VanDerWaalsContact NH2-N 3.13Å; R659-D706 IonicContact NH2-OD1 3.62Å; R659-D706 PolarHBondContact NH2-OD1 2.96Å; R659-D706 IonicContact NH2-OD2 3.59Å; L704-D706 VanDerWaalsContact C-N 3.35Å; L704-D706 PolarHBondContact O-N 2.99Å; D706-S708 PolarHBondContact O-N 3.08Å; D706-A709 HydrophobicContact CB-CB 4.48Å; D706-A709 WeakPolarHBondContact O-CB 3.49Å
707T60.1Low81Confident102 Ų10259.7 Ų59.763%0.62633%0.332SS*.THydrogen-bonded Turntrans-75.132.8-179.158.50000113.6F705F705-T707 PolarHBondContact O-N 3.24Å
708S47Very low80Confident112 Ų11264.7 Ų64.778%0.78336%0.36SS*.THydrogen-bonded Turntrans-140.414.1-167.8-50.70000112.7D706D706-S708 PolarHBondContact O-N 3.08Å
709A35.7Very low78.7Confident101 Ų10167.5 Ų67.584%0.83538%0.378SS*.  trans-1290-150.400000115K645 D706K645-A709 PolarHBondContact NZ-OXT 2.75Å; D706-A709 HydrophobicContact CB-CB 4.48Å; D706-A709 WeakPolarHBondContact O-CB 3.49Å

Retrieved 709 of 709 residues in 3311.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).