A0A077Z4S3_TRITR Loading...

Integrin linked protein kinase

AlphaFold DB , UniProt , Accession A0A077Z4S3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 460 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
1M28.7Very low37.9Very low227 Ų227149.1 Ų149.1100%1.11875%0.752SS**  089.60-82.3173.5174.300107.9F3M1-F3 PolarHBondContact O-N 3.12Å
2T30Very low41.2Very low141 Ų141138.3 Ų138.387%0.86570%0.698SS**  trans-80111.9170.330.90000107.2Y4T2-Y4 PolarHBondContact O-N 2.8Å
3F28.6Very low44.4Very low194 Ų194138.1 Ų138.185%0.85169%0.693SS**  trans-65105.1174.4-80.5-91.3000108.5M1 K5M1-F3 PolarHBondContact O-N 3.12Å; F3-K5 VanDerWaalsContact C-N 3.29Å; F3-K5 PolarHBondContact O-N 3.06Å
4Y29.8Very low47.6Very low224 Ų224133.8 Ų133.888%0.87867%0.673SS**  trans-67.492.2163.7-140-90.7000106.4T2T2-Y4 PolarHBondContact O-N 2.8Å
5K26.9Very low50.5Low177 Ų177124.9 Ų124.977%0.7763%0.628SS**  trans-68.6125.5163.4-87.9-174.5175.5179.90106.2F3 N7F3-K5 VanDerWaalsContact C-N 3.29Å; F3-K5 PolarHBondContact O-N 3.06Å; K5-N7 PolarHBondContact O-N 3.49Å
6P27.6Very low53.1Low101 Ų101117.8 Ų117.866%0.65659%0.592SS**  trans-58.3125.9170.824.4-30000107.5I8P6-I8 PolarHBondContact O-N 2.69Å
7N33.8Very low55.6Low161 Ų161111.6 Ų111.686%0.86157%0.565SS**  trans-62.583169.5-82.5-7.9000108K5 P9K5-N7 PolarHBondContact O-N 3.49Å; N7-P9 WeakPolarHBondContact O-CD 2.94Å
8I32.1Very low57.8Low137 Ų137107.9 Ų107.970%0.70354%0.543SS*.  trans-64.6116.5156.5-60.8168000103.5P6 I10P6-I8 PolarHBondContact O-N 2.69Å; I8-I10 PolarHBondContact O-N 3.08Å
9P49.7Very low59.9Low104 Ų104102.2 Ų102.268%0.67551%0.514SS*.  trans-57.6113.4177.622.1-29.3000106.6N7 I11N7-P9 WeakPolarHBondContact O-CD 2.94Å; P9-I11 PolarHBondContact O-N 3.3Å
10I58.9Low61.7Low74 Ų74104.1 Ų104.138%0.37952%0.515SS..  trans-57.8114.9174.4-65.2168.6000104.9I8 L12 D14 V15 W18I8-I10 PolarHBondContact O-N 3.08Å; I10-L12 PolarHBondContact O-N 3.12Å; I10-D14 HydrophobicContact CG2-CB 4.28Å; I10-V15 HydrophobicContact CG2-CG2 3.56Å; I10-W18 HydrophobicContact CD1-CH2 4.12Å; I10-W18 HydrophobicContact CG1-CH2 4.39Å; I10-W18 HydrophobicContact CG2-CH2 3.56Å; I10-W18 HydrophobicContact CG2-CZ2 4.41Å; I10-W18 HydrophobicContact CG2-CZ3 3.96Å
11I70.8Confident63.3Low100 Ų100106.1 Ų106.151%0.51352%0.523SS..  trans-69.7132.1-180-55.5177.3000105P9 E13 D14P9-I11 PolarHBondContact O-N 3.3Å; I11-E13 HydrophobicContact CG2-CB 3.94Å; I11-E13 HydrophobicContact CG2-CG 4.04Å; I11-E13 PolarHBondContact O-N 3.45Å; I11-D14 WeakPolarHBondContact O-CB 3.43Å; I11-D14 PolarHBondContact O-N 3.49Å
12L77.6Confident66.6Low20 Ų2096.5 Ų96.511%0.10548%0.482CS..Hα-helixtrans-54.1-28.2-178-167.470.1000111.9I10 D14 V15 F16 W30 L40 R195I10-L12 PolarHBondContact O-N 3.12Å; L12-D14 VanDerWaalsContact C-N 3.33Å; L12-D14 PolarHBondContact O-N 2.97Å; L12-V15 WeakPolarHBondContact O-CB 3.35Å; L12-V15 PolarHBondContact O-N 3.43Å; L12-F16 HydrophobicContact CB-CE2 4.32Å; L12-F16 HydrophobicContact CD1-CE2 4.45Å; L12-F16 HydrophobicContact CD2-CE2 3.49Å; L12-F16 VanDerWaalsContact CD2-CE2 3.49Å; L12-F16 HydrophobicContact CD2-CZ 3.8Å; L12-F16 HydrophobicContact CG-CD2 4.04Å; L12-F16 HydrophobicContact CG-CE2 3.42Å; L12-F16 VanDerWaalsContact CG-CE2 3.42Å; L12-F16 HydrophobicContact CG-CZ 3.92Å; L12-F16 WeakPolarHBondContact O-CD2 3.4Å; L12-F16 PolarHBondContact O-N 3.22Å; L12-W30 HydrophobicContact CD1-CH2 4.46Å; L12-W30 HydrophobicContact CD1-CZ2 4.02Å; L12-L40 HydrophobicContact CD1-CB 4.27Å; L12-L40 HydrophobicContact CD1-CD1 4.21Å; L12-L40 HydrophobicContact CD2-CB 3.74Å; L12-L40 HydrophobicContact CD2-CD1 4.23Å; L12-R195 VanDerWaalsContact CD2-NH2 3.32Å
13E82.2Confident69.8Low135 Ų13592.4 Ų92.463%0.63146%0.455SS*.Hα-helixtrans-55.6-40.1170.9-65.4-174.3174.300114I11 V15 F16 G17I11-E13 HydrophobicContact CG2-CB 3.94Å; I11-E13 HydrophobicContact CG2-CG 4.04Å; I11-E13 PolarHBondContact O-N 3.45Å; E13-V15 VanDerWaalsContact C-N 3.33Å; E13-F16 PolarHBondContact O-N 3.31Å; E13-G17 PolarHBondContact O-N 3.38Å
14D89.2Confident73Confident78 Ų7884.2 Ų84.242%0.41742%0.423SS..Hα-helixtrans-64.3-42.1176.7-65.7-35.3000110.3I10 I11 L12 G17 W18I10-D14 HydrophobicContact CG2-CB 4.28Å; I11-D14 WeakPolarHBondContact O-CB 3.43Å; I11-D14 PolarHBondContact O-N 3.49Å; L12-D14 VanDerWaalsContact C-N 3.33Å; L12-D14 PolarHBondContact O-N 2.97Å; D14-G17 CarbonylContact O-C 3.6Å; D14-G17 WeakPolarHBondContact O-CA 3.29Å; D14-G17 PolarHBondContact O-N 3.39Å; D14-W18 HydrophobicContact CB-CH2 4.49Å; D14-W18 HydrophobicContact CB-CZ2 3.96Å; D14-W18 VanDerWaalsContact O-CD1 3.28Å; D14-W18 PolarHBondContact O-N 3.01Å; D14-W18 PolarHBondContact O-NE1 3.46Å
15V91.4Very high76.1Confident0 Ų080.7 Ų80.70%041%0.413CS..Hα-helixtrans-63.3-44.5178.5-168.10000110.6I10 L12 E13 G17 W18 V19 W30 L48I10-V15 HydrophobicContact CG2-CG2 3.56Å; L12-V15 WeakPolarHBondContact O-CB 3.35Å; L12-V15 PolarHBondContact O-N 3.43Å; E13-V15 VanDerWaalsContact C-N 3.33Å; V15-G17 VanDerWaalsContact C-N 3.27Å; V15-G17 PolarHBondContact O-N 3.34Å; V15-W18 HydrophobicContact CB-CE3 4.34Å; V15-W18 HydrophobicContact CG1-CE3 4.38Å; V15-W18 HydrophobicContact CG2-CE3 4.31Å; V15-W18 HydrophobicContact CG2-CZ3 4.05Å; V15-W18 PolarHBondContact O-N 3.33Å; V15-V19 WeakPolarHBondContact O-CG2 3.26Å; V15-V19 PolarHBondContact O-N 3.14Å; V15-W30 HydrophobicContact CG1-CD2 3.77Å; V15-W30 HydrophobicContact CG1-CE3 3.97Å; V15-W30 HydrophobicContact CG1-CG 4.09Å; V15-W30 HydrophobicContact CG1-CZ2 4.49Å; V15-W30 HydrophobicContact CG1-CZ3 4.42Å; V15-W30 HydrophobicContact CG2-CD2 4.09Å; V15-W30 HydrophobicContact CG2-CG 4Å; V15-W30 HydrophobicContact CG2-CZ2 4.39Å; V15-L48 HydrophobicContact CB-CD2 4.41Å; V15-L48 HydrophobicContact CG1-CD1 4.16Å; V15-L48 HydrophobicContact CG1-CD2 3.74Å
16F92.7Very high79.4Confident12 Ų1275.5 Ų75.55%0.05339%0.391CS..Hα-helixtrans-61.8-36.4172.4-68.6-56.3000112L12 E13 R20 D42 F46 L48 W51L12-F16 HydrophobicContact CB-CE2 4.32Å; L12-F16 HydrophobicContact CD1-CE2 4.45Å; L12-F16 HydrophobicContact CD2-CE2 3.49Å; L12-F16 VanDerWaalsContact CD2-CE2 3.49Å; L12-F16 HydrophobicContact CD2-CZ 3.8Å; L12-F16 HydrophobicContact CG-CD2 4.04Å; L12-F16 HydrophobicContact CG-CE2 3.42Å; L12-F16 VanDerWaalsContact CG-CE2 3.42Å; L12-F16 HydrophobicContact CG-CZ 3.92Å; L12-F16 WeakPolarHBondContact O-CD2 3.4Å; L12-F16 PolarHBondContact O-N 3.22Å; E13-F16 PolarHBondContact O-N 3.31Å; F16-R20 WeakPolarHBondContact O-CB 3.44Å; F16-R20 VanDerWaalsContact O-CG 3.26Å; F16-R20 WeakPolarHBondContact O-CG 3.24Å; F16-R20 PolarHBondContact O-N 3.01Å; F16-R20 PolarHBondContact O-NE 3.22Å; F16-D42 HydrophobicContact CD2-CB 3.98Å; F16-D42 HydrophobicContact CE1-CB 4.49Å; F16-D42 HydrophobicContact CE2-CB 3.55Å; F16-D42 HydrophobicContact CZ-CB 3.87Å; F16-D42 VanDerWaalsContact CZ-N 3.27Å; F16-F46 WeakPolarHBondContact CE1-O 3.37Å; F16-L48 HydrophobicContact CD1-CD2 3.55Å; F16-L48 HydrophobicContact CE1-CD2 3.59Å; F16-L48 HydrophobicContact CE1-CG 4.26Å; F16-L48 HydrophobicContact CG-CD2 4.43Å; F16-W51 AromaticContact CD1-CD1 3.42Å; F16-W51 VanDerWaalsContact CD1-CD1 3.42Å; F16-W51 HydrophobicContact CD1-CG 4.43Å; F16-W51 AromaticContact CD1-NE1 3.79Å; F16-W51 AromaticContact CE1-CD1 3.9Å
17G94.8Very high82.5Confident12 Ų1270.7 Ų70.712%0.12436%0.36CS..Hα-helixtrans-56.2-53.9170.100000112.1E13 D14 V15 V19 R20 E21E13-G17 PolarHBondContact O-N 3.38Å; D14-G17 CarbonylContact O-C 3.6Å; D14-G17 WeakPolarHBondContact O-CA 3.29Å; D14-G17 PolarHBondContact O-N 3.39Å; V15-G17 VanDerWaalsContact C-N 3.27Å; V15-G17 PolarHBondContact O-N 3.34Å; G17-V19 VanDerWaalsContact C-N 3.32Å; G17-V19 PolarHBondContact O-N 2.91Å; G17-R20 PolarHBondContact O-N 3.26Å; G17-R20 VanDerWaalsContact O-N 3.14Å; G17-E21 WeakPolarHBondContact O-CG 3.44Å; G17-E21 PolarHBondContact O-N 3.22Å
18W95.6Very high85.4Confident45 Ų4569.3 Ų69.317%0.1734%0.343CS..Hα-helixtrans-60.1-40-179.9-55.2-22.7000112.8I10 D14 V15 E21 G22 N23 Q26 V27 W30I10-W18 HydrophobicContact CD1-CH2 4.12Å; I10-W18 HydrophobicContact CG1-CH2 4.39Å; I10-W18 HydrophobicContact CG2-CH2 3.56Å; I10-W18 HydrophobicContact CG2-CZ2 4.41Å; I10-W18 HydrophobicContact CG2-CZ3 3.96Å; D14-W18 HydrophobicContact CB-CH2 4.49Å; D14-W18 HydrophobicContact CB-CZ2 3.96Å; D14-W18 VanDerWaalsContact O-CD1 3.28Å; D14-W18 PolarHBondContact O-N 3.01Å; D14-W18 PolarHBondContact O-NE1 3.46Å; V15-W18 HydrophobicContact CB-CE3 4.34Å; V15-W18 HydrophobicContact CG1-CE3 4.38Å; V15-W18 HydrophobicContact CG2-CE3 4.31Å; V15-W18 HydrophobicContact CG2-CZ3 4.05Å; V15-W18 PolarHBondContact O-N 3.33Å; W18-E21 PolarHBondContact O-N 2.97Å; W18-G22 PolarHBondContact O-N 3.28Å; W18-G22 VanDerWaalsContact O-N 3.08Å; W18-N23 HydrophobicContact CB-CB 4.21Å; W18-N23 PolarHBondContact O-N 3.47Å; W18-Q26 HydrophobicContact CB-CB 4.27Å; W18-Q26 HydrophobicContact CD2-CB 3.63Å; W18-Q26 HydrophobicContact CD2-CG 4.38Å; W18-Q26 HydrophobicContact CE3-CB 3.69Å; W18-Q26 HydrophobicContact CG-CB 3.9Å; W18-Q26 HydrophobicContact CZ3-CB 4.28Å; W18-Q26 VanDerWaalsContact NE1-OE1 3.13Å; W18-V27 HydrophobicContact CB-CG2 4.02Å; W18-W30 HydrophobicContact CZ3-CB 4.16Å; W18-W30 HydrophobicContact CZ3-CG 4.5Å
19V96.8Very high88.3Confident0 Ų066.7 Ų66.70%033%0.333CS..Hα-helixtrans-65.5-45175.7173.90000111.2V15 G17 E21 G22 V27 L48 W51 A52 H57 I60V15-V19 WeakPolarHBondContact O-CG2 3.26Å; V15-V19 PolarHBondContact O-N 3.14Å; G17-V19 VanDerWaalsContact C-N 3.32Å; G17-V19 PolarHBondContact O-N 2.91Å; V19-E21 VanDerWaalsContact C-N 3.29Å; V19-E21 PolarHBondContact O-N 3.14Å; V19-G22 PolarHBondContact O-N 3.14Å; V19-G22 VanDerWaalsContact O-N 3.12Å; V19-V27 HydrophobicContact CG2-CG1 4.34Å; V19-V27 HydrophobicContact CG2-CG2 3.57Å; V19-L48 WeakPolarHBondContact CG1-O 3.34Å; V19-L48 HydrophobicContact CG2-CB 4.32Å; V19-L48 HydrophobicContact CG2-CD2 3.81Å; V19-W51 HydrophobicContact CB-CB 4.39Å; V19-W51 HydrophobicContact CG1-CB 3.63Å; V19-A52 HydrophobicContact CG1-CB 3.79Å; V19-A52 VanDerWaalsContact CG1-N 3.29Å; V19-H57 PolarHBondContact O-CD2 3.35Å; V19-H57 PolarHBondContact O-NE2 3.35Å; V19-I60 HydrophobicContact CG1-CG2 4.3Å; V19-I60 HydrophobicContact CG2-CG2 4.34Å
20R96Very high90.3Very high139 Ų13962.1 Ų62.153%0.52530%0.302SS..Hα-helixtrans-60.2-40.2177.9-75.8-178.9-67.1163.2-4.1111.9F16 G17 G22 W51 H57F16-R20 WeakPolarHBondContact O-CB 3.44Å; F16-R20 VanDerWaalsContact O-CG 3.26Å; F16-R20 WeakPolarHBondContact O-CG 3.24Å; F16-R20 PolarHBondContact O-N 3.01Å; F16-R20 PolarHBondContact O-NE 3.22Å; G17-R20 PolarHBondContact O-N 3.26Å; G17-R20 VanDerWaalsContact O-N 3.14Å; R20-G22 VanDerWaalsContact C-N 3.29Å; R20-G22 PolarHBondContact O-N 2.84Å; R20-W51 HydrophobicContact CG-CB 4.33Å; R20-W51 HydrophobicContact CG-CD2 3.87Å; R20-W51 HydrophobicContact CG-CE3 3.53Å; R20-W51 HydrophobicContact CG-CG 4.24Å; R20-W51 HydrophobicContact CG-CZ3 4.11Å; R20-H57 PolarHBondContact O-NE2 3.23Å
21E96.4Very high91.8Very high148 Ų14858.8 Ų58.869%0.69229%0.285SS*.Hα-helixtrans-76.6-10.7178.1-68.3174.5-176.100113.9G17 W18 V19G17-E21 WeakPolarHBondContact O-CG 3.44Å; G17-E21 PolarHBondContact O-N 3.22Å; W18-E21 PolarHBondContact O-N 2.97Å; V19-E21 VanDerWaalsContact C-N 3.29Å; V19-E21 PolarHBondContact O-N 3.14Å
22G96.9Very high92.7Very high25 Ų2558.4 Ų58.426%0.25828%0.284SS..THydrogen-bonded Turntrans77.720.2-177.900000114.2W18 V19 R20 A24 H57W18-G22 PolarHBondContact O-N 3.28Å; W18-G22 VanDerWaalsContact O-N 3.08Å; V19-G22 PolarHBondContact O-N 3.14Å; V19-G22 VanDerWaalsContact O-N 3.12Å; R20-G22 VanDerWaalsContact C-N 3.29Å; R20-G22 PolarHBondContact O-N 2.84Å; G22-A24 VanDerWaalsContact C-N 3.29Å; G22-A24 PolarHBondContact O-N 3.32Å; G22-H57 WeakPolarHBondContact CA-CE1 3.47Å; G22-H57 WeakPolarHBondContact CA-ND1 3.34Å; G22-H57 WeakPolarHBondContact CA-NE2 3.43Å; G22-H57 PolarHBondContact N-NE2 3.05Å
23N97Very high93.2Very high54 Ų5460.9 Ų60.929%0.28930%0.297SS..  trans-76.377.8-179.8-166.6-24.1000112W18 F25 Q26 V27W18-N23 HydrophobicContact CB-CB 4.21Å; W18-N23 PolarHBondContact O-N 3.47Å; N23-F25 PolarHBondContact O-N 2.75Å; N23-F25 VanDerWaalsContact O-N 3.14Å; N23-F25 PolarHBondContact OD1-N 2.61Å; N23-Q26 PolarHBondContact ND2-OE1 2.93Å; N23-Q26 PolarHBondContact O-N 3.17Å; N23-Q26 PolarHBondContact OD1-N 3.3Å; N23-Q26 VanDerWaalsContact OD1-N 3.17Å; N23-V27 WeakPolarHBondContact O-CG2 3.34Å; N23-V27 PolarHBondContact O-N 3.31Å; N23-V27 VanDerWaalsContact O-N 3.15Å
24A96.5Very high93.2Very high23 Ų2356.2 Ų56.219%0.1928%0.278CS..Hα-helixtrans-59.7-26.8-178.200000113.5G22 R28 I60 M63G22-A24 VanDerWaalsContact C-N 3.29Å; G22-A24 PolarHBondContact O-N 3.32Å; A24-R28 VanDerWaalsContact O-CB 3.29Å; A24-R28 WeakPolarHBondContact O-CB 3.39Å; A24-R28 PolarHBondContact O-N 3.14Å; A24-I60 HydrophobicContact CB-CG1 3.95Å; A24-M63 HydrophobicContact CB-CE 3.91Å; A24-M63 WeakPolarHBondContact O-CE 3.36Å
25F96Very high92.9Very high150 Ų15056.1 Ų56.166%0.65828%0.275SS*.Hα-helixtrans-69.3-51.2178.8178-97.4000111.4N23 V27 R28 V29N23-F25 PolarHBondContact O-N 2.75Å; N23-F25 VanDerWaalsContact O-N 3.14Å; N23-F25 PolarHBondContact OD1-N 2.61Å; F25-V27 VanDerWaalsContact C-N 3.34Å; F25-V27 PolarHBondContact O-N 3.23Å; F25-R28 WeakPolarHBondContact O-CB 3.47Å; F25-R28 PolarHBondContact O-N 2.73Å; F25-V29 HydrophobicContact CD1-CG2 4.42Å; F25-V29 HydrophobicContact CE1-CG2 4.02Å; F25-V29 HydrophobicContact CE2-CG2 4.34Å; F25-V29 HydrophobicContact CZ-CG2 3.97Å; F25-V29 WeakPolarHBondContact O-CG2 3.48Å; F25-V29 PolarHBondContact O-N 2.87Å
26Q94.6Very high92.6Very high68 Ų6858.5 Ų58.532%0.31829%0.286SS..Hα-helixtrans-65.4-39.3179.1-73.4-176.4-50.400111.9W18 N23 R28 V29 W30W18-Q26 HydrophobicContact CB-CB 4.27Å; W18-Q26 HydrophobicContact CD2-CB 3.63Å; W18-Q26 HydrophobicContact CD2-CG 4.38Å; W18-Q26 HydrophobicContact CE3-CB 3.69Å; W18-Q26 HydrophobicContact CG-CB 3.9Å; W18-Q26 HydrophobicContact CZ3-CB 4.28Å; W18-Q26 VanDerWaalsContact NE1-OE1 3.13Å; N23-Q26 PolarHBondContact ND2-OE1 2.93Å; N23-Q26 PolarHBondContact O-N 3.17Å; N23-Q26 PolarHBondContact OD1-N 3.3Å; N23-Q26 VanDerWaalsContact OD1-N 3.17Å; Q26-R28 VanDerWaalsContact C-N 3.33Å; Q26-R28 PolarHBondContact O-N 3.14Å; Q26-V29 PolarHBondContact O-N 2.95Å; Q26-W30 WeakPolarHBondContact O-CB 3.43Å; Q26-W30 PolarHBondContact O-N 2.97Å
27V94.3Very high92.1Very high0 Ų058.4 Ų58.40%029%0.286CS..Hα-helixtrans-60.8-43.2174.8176.70000111W18 V19 N23 F25 W30 L31 I60 M63W18-V27 HydrophobicContact CB-CG2 4.02Å; V19-V27 HydrophobicContact CG2-CG1 4.34Å; V19-V27 HydrophobicContact CG2-CG2 3.57Å; N23-V27 WeakPolarHBondContact O-CG2 3.34Å; N23-V27 PolarHBondContact O-N 3.31Å; N23-V27 VanDerWaalsContact O-N 3.15Å; F25-V27 VanDerWaalsContact C-N 3.34Å; F25-V27 PolarHBondContact O-N 3.23Å; V27-W30 PolarHBondContact O-N 3.45Å; V27-L31 HydrophobicContact CG1-CD1 3.88Å; V27-L31 HydrophobicContact CG1-CG 4.34Å; V27-L31 WeakPolarHBondContact O-CB 3Å; V27-L31 VanDerWaalsContact O-CG 3.26Å; V27-L31 WeakPolarHBondContact O-CG 3.49Å; V27-L31 PolarHBondContact O-N 3.37Å; V27-I60 HydrophobicContact CG1-CG2 4.13Å; V27-I60 HydrophobicContact CG2-CD1 4.18Å; V27-M63 HydrophobicContact CG1-CE 4.46Å
28R94.2Very high91.8Very high132 Ų13258 Ų5850%0.49828%0.281SS..Hα-helixtrans-60.7-49.5175.7-178-177.9-59.6-177.3-1.5112.1A24 F25 Q26 W30 L31 D32 M63A24-R28 VanDerWaalsContact O-CB 3.29Å; A24-R28 WeakPolarHBondContact O-CB 3.39Å; A24-R28 PolarHBondContact O-N 3.14Å; F25-R28 WeakPolarHBondContact O-CB 3.47Å; F25-R28 PolarHBondContact O-N 2.73Å; Q26-R28 VanDerWaalsContact C-N 3.33Å; Q26-R28 PolarHBondContact O-N 3.14Å; R28-W30 PolarHBondContact O-N 3.29Å; R28-L31 PolarHBondContact O-N 3.08Å; R28-L31 VanDerWaalsContact O-N 3.08Å; R28-D32 PolarHBondContact O-N 3.31Å; R28-M63 HydrophobicContact CB-CE 4.42Å; R28-M63 HydrophobicContact CB-SD 3.9Å; R28-M63 HydrophobicContact CG-SD 4.26Å
29V92.7Very high91.3Very high81 Ų8156.8 Ų56.849%0.49128%0.278SS..Hα-helixtrans-58.9-38.3179.4171.70000111F25 Q26F25-V29 HydrophobicContact CD1-CG2 4.42Å; F25-V29 HydrophobicContact CE1-CG2 4.02Å; F25-V29 HydrophobicContact CE2-CG2 4.34Å; F25-V29 HydrophobicContact CZ-CG2 3.97Å; F25-V29 WeakPolarHBondContact O-CG2 3.48Å; F25-V29 PolarHBondContact O-N 2.87Å; Q26-V29 PolarHBondContact O-N 2.95Å
30W92Very high90.6Very high9 Ų957.3 Ų57.33%0.03428%0.281CS..Hα-helixtrans-65.8-45174.2-175.680.7000112.1L12 V15 W18 Q26 V27 R28 D32 D33 H36 L38 L48L12-W30 HydrophobicContact CD1-CH2 4.46Å; L12-W30 HydrophobicContact CD1-CZ2 4.02Å; V15-W30 HydrophobicContact CG1-CD2 3.77Å; V15-W30 HydrophobicContact CG1-CE3 3.97Å; V15-W30 HydrophobicContact CG1-CG 4.09Å; V15-W30 HydrophobicContact CG1-CZ2 4.49Å; V15-W30 HydrophobicContact CG1-CZ3 4.42Å; V15-W30 HydrophobicContact CG2-CD2 4.09Å; V15-W30 HydrophobicContact CG2-CG 4Å; V15-W30 HydrophobicContact CG2-CZ2 4.39Å; W18-W30 HydrophobicContact CZ3-CB 4.16Å; W18-W30 HydrophobicContact CZ3-CG 4.5Å; Q26-W30 WeakPolarHBondContact O-CB 3.43Å; Q26-W30 PolarHBondContact O-N 2.97Å; V27-W30 PolarHBondContact O-N 3.45Å; R28-W30 PolarHBondContact O-N 3.29Å; W30-D32 PolarHBondContact O-N 3.27Å; W30-D33 PolarHBondContact O-N 3.42Å; W30-H36 AromaticContact CD1-CE1 3.62Å; W30-H36 AromaticContact CD1-ND1 3.62Å; W30-H36 HydrophobicContact CD2-CB 4.2Å; W30-H36 AromaticContact CD2-ND1 3.89Å; W30-H36 AromaticContact CE2-CD2 3.93Å; W30-H36 AromaticContact CE2-CG 3.53Å; W30-H36 AromaticContact CE2-ND1 3.68Å; W30-H36 HydrophobicContact CE3-CB 4.33Å; W30-H36 AromaticContact CG-ND1 3.89Å; W30-H36 HydrophobicContact CH2-CB 3.75Å; W30-H36 HydrophobicContact CZ2-CB 3.57Å; W30-H36 AromaticContact CZ2-CG 3.74Å; W30-H36 HydrophobicContact CZ3-CB 4.11Å; W30-H36 AromaticContact NE1-CD2 3.67Å; W30-H36 AromaticContact NE1-CE1 3.52Å; W30-H36 AromaticContact NE1-CG 3.59Å; W30-H36 AromaticContact NE1-ND1 3.45Å; W30-H36 PolarHBondContact NE1-ND1 2.98Å; W30-H36 AromaticContact NE1-NE2 3.6Å; W30-H36 PolarHBondContact O-ND1 2.98Å; W30-L38 HydrophobicContact CH2-CB 4.43Å; W30-L38 HydrophobicContact CZ3-CB 3.93Å; W30-L48 HydrophobicContact CE3-CD1 4.12Å; W30-L48 HydrophobicContact CH2-CD1 3.94Å; W30-L48 HydrophobicContact CZ3-CD1 3.43Å; W30-L48 VanDerWaalsContact CZ3-CD1 3.43Å
31L90.8Very high90Very high3 Ų351.4 Ų51.42%0.01626%0.263CS..Hα-helixtrans-67.5-18179.8-70.4170.8000114.2V27 R28 D33 L38 M63 L64 R67V27-L31 HydrophobicContact CG1-CD1 3.88Å; V27-L31 HydrophobicContact CG1-CG 4.34Å; V27-L31 WeakPolarHBondContact O-CB 3Å; V27-L31 VanDerWaalsContact O-CG 3.26Å; V27-L31 WeakPolarHBondContact O-CG 3.49Å; V27-L31 PolarHBondContact O-N 3.37Å; R28-L31 PolarHBondContact O-N 3.08Å; R28-L31 VanDerWaalsContact O-N 3.08Å; L31-D33 PolarHBondContact O-N 2.93Å; L31-L38 HydrophobicContact CD2-CB 3.59Å; L31-L38 HydrophobicContact CD2-CD2 3.81Å; L31-L38 HydrophobicContact CD2-CG 4.36Å; L31-M63 HydrophobicContact CD1-CB 4.3Å; L31-L64 HydrophobicContact CD1-CD2 4.02Å; L31-L64 HydrophobicContact CD2-CD2 4.14Å; L31-R67 HydrophobicContact CD1-CG 4.44Å; L31-R67 PolarHBondContact O-NH1 2.93Å
32D89.2Confident89.5Confident92 Ų9245.8 Ų45.849%0.49224%0.238SC..THydrogen-bonded Turntrans-72.2-16.5-179.3-71.2-18.5000112.9R28 W30 R67R28-D32 PolarHBondContact O-N 3.31Å; W30-D32 PolarHBondContact O-N 3.27Å; D32-R67 IonicContact OD1-CZ 2.88Å; D32-R67 IonicContact OD1-NH1 2.76Å; D32-R67 PolarHBondContact OD1-NH1 3.03Å; D32-R67 VanDerWaalsContact OD1-NH1 3.12Å; D32-R67 IonicContact OD1-NH2 2.96Å; D32-R67 PolarHBondContact OD1-NH2 2.85Å
33D87Confident88.9Confident73 Ų7351.6 Ų51.639%0.3926%0.262SS..SBendtrans-85.7117.2165.9-175.8-15.5000109.8W30 L31 E35 H36W30-D33 PolarHBondContact O-N 3.42Å; L31-D33 PolarHBondContact O-N 2.93Å; D33-E35 PolarHBondContact O-N 3.09Å; D33-E35 WeakPolarHBondContact OD1-CB 3.48Å; D33-E35 PolarHBondContact OD1-N 3.09Å; D33-H36 WeakPolarHBondContact CB-ND1 3.47Å; D33-H36 WeakPolarHBondContact O-CB 3.41Å; D33-H36 PolarHBondContact O-N 3Å; D33-H36 IonicContact OD2-CE1 2.92Å
34V83.4Confident88.4Confident37 Ų3754.9 Ų54.922%0.22428%0.276CS..THydrogen-bonded Turntrans-68.8-19.5-174.5-57.20000113.5H36 R254 I255 F256 S257 F316 L320V34-H36 VanDerWaalsContact C-N 3.26Å; V34-R254 VanDerWaalsContact O-O 3.12Å; V34-I255 HydrophobicContact CB-CG2 4.42Å; V34-I255 HydrophobicContact CG2-CG1 4.43Å; V34-F256 PolarHBondContact O-N 3.09Å; V34-S257 WeakPolarHBondContact CG1-OG 3.48Å; V34-F316 HydrophobicContact CG1-CZ 4.17Å; V34-L320 HydrophobicContact CG1-CD2 3.83Å
35E82Confident87.8Confident76 Ų7654.7 Ų54.736%0.35528%0.276SS..THydrogen-bonded Turntrans-75.7-16.5177.5-62.8-167.9-177.700112.5D33 D37 R254 F256D33-E35 PolarHBondContact O-N 3.09Å; D33-E35 WeakPolarHBondContact OD1-CB 3.48Å; D33-E35 PolarHBondContact OD1-N 3.09Å; E35-D37 PolarHBondContact O-N 3.12Å; E35-R254 WeakPolarHBondContact CA-O 3.48Å; E35-F256 WeakPolarHBondContact O-CD2 3.43Å
36H85.7Confident87.6Confident50 Ų5049 Ų4923%0.23125%0.251CS..  trans-75.4116.1177.1-70.7146000111.8W30 D33 V34 L38W30-H36 AromaticContact CD1-CE1 3.62Å; W30-H36 AromaticContact CD1-ND1 3.62Å; W30-H36 HydrophobicContact CD2-CB 4.2Å; W30-H36 AromaticContact CD2-ND1 3.89Å; W30-H36 AromaticContact CE2-CD2 3.93Å; W30-H36 AromaticContact CE2-CG 3.53Å; W30-H36 AromaticContact CE2-ND1 3.68Å; W30-H36 HydrophobicContact CE3-CB 4.33Å; W30-H36 AromaticContact CG-ND1 3.89Å; W30-H36 HydrophobicContact CH2-CB 3.75Å; W30-H36 HydrophobicContact CZ2-CB 3.57Å; W30-H36 AromaticContact CZ2-CG 3.74Å; W30-H36 HydrophobicContact CZ3-CB 4.11Å; W30-H36 AromaticContact NE1-CD2 3.67Å; W30-H36 AromaticContact NE1-CE1 3.52Å; W30-H36 AromaticContact NE1-CG 3.59Å; W30-H36 AromaticContact NE1-ND1 3.45Å; W30-H36 PolarHBondContact NE1-ND1 2.98Å; W30-H36 AromaticContact NE1-NE2 3.6Å; W30-H36 PolarHBondContact O-ND1 2.98Å; D33-H36 WeakPolarHBondContact CB-ND1 3.47Å; D33-H36 WeakPolarHBondContact O-CB 3.41Å; D33-H36 PolarHBondContact O-N 3Å; D33-H36 IonicContact OD2-CE1 2.92Å; V34-H36 VanDerWaalsContact C-N 3.26Å; H36-L38 PolarHBondContact O-N 3.28Å
37D82.3Confident87.4Confident9 Ų946 Ų465%0.04824%0.237CC..  trans-81101.9172-172.6-2.1000111E35 N39 L40 F256E35-D37 PolarHBondContact O-N 3.12Å; D37-N39 PolarHBondContact O-N 3.27Å; D37-N39 WeakPolarHBondContact OD1-CB 3.35Å; D37-N39 PolarHBondContact OD1-N 3.03Å; D37-L40 HydrophobicContact CB-CD1 4.12Å; D37-L40 HydrophobicContact CB-CG 3.95Å; D37-L40 WeakPolarHBondContact O-CB 3.24Å; D37-L40 WeakPolarHBondContact O-CD1 3.48Å; D37-L40 WeakPolarHBondContact O-CG 3.45Å; D37-L40 PolarHBondContact O-N 3.33Å; D37-F256 HydrophobicContact CB-CB 4.1Å; D37-F256 HydrophobicContact CB-CD1 3.69Å; D37-F256 HydrophobicContact CB-CD2 4Å; D37-F256 HydrophobicContact CB-CE1 4.09Å; D37-F256 HydrophobicContact CB-CE2 4.33Å; D37-F256 HydrophobicContact CB-CG 3.67Å; D37-F256 HydrophobicContact CB-CZ 4.4Å
38L88Confident87.5Confident3 Ų346 Ų462%0.01624%0.238CC..THydrogen-bonded Turntrans-68.8-14.417868.888.7000114.1W30 L31 H36 L48 L64 R67 A69W30-L38 HydrophobicContact CH2-CB 4.43Å; W30-L38 HydrophobicContact CZ3-CB 3.93Å; L31-L38 HydrophobicContact CD2-CB 3.59Å; L31-L38 HydrophobicContact CD2-CD2 3.81Å; L31-L38 HydrophobicContact CD2-CG 4.36Å; H36-L38 PolarHBondContact O-N 3.28Å; L38-L48 HydrophobicContact CB-CD1 4.13Å; L38-L64 HydrophobicContact CB-CD2 4.3Å; L38-L64 HydrophobicContact CD1-CD2 4.42Å; L38-R67 HydrophobicContact CD2-CB 3.46Å; L38-R67 VanDerWaalsContact CD2-CB 3.46Å; L38-R67 WeakPolarHBondContact CD2-O 3.5Å; L38-A69 HydrophobicContact CD1-CB 3.53Å
39N85.3Confident87.6Confident21 Ų2139.9 Ų39.911%0.11222%0.215CC..THydrogen-bonded Turntrans-81.4-8.6178.5-68.1-66.5000112D37 G41 G68 A69 R70 A191D37-N39 PolarHBondContact O-N 3.27Å; D37-N39 WeakPolarHBondContact OD1-CB 3.35Å; D37-N39 PolarHBondContact OD1-N 3.03Å; N39-G41 PolarHBondContact O-N 3.15Å; N39-G68 PolarHBondContact ND2-O 3.33Å; N39-A69 WeakPolarHBondContact OD1-CA 3.3Å; N39-R70 WeakPolarHBondContact OD1-CG 3.43Å; N39-R70 PolarHBondContact OD1-N 2.67Å; N39-A191 HydrophobicContact CB-CB 4.06Å; N39-A191 WeakPolarHBondContact O-CB 3.34Å
40L82.6Confident87.7Confident11 Ų1136.1 Ų36.16%0.05819%0.192CC..  trans-51.1127.7176.2-71.2171.6000111.9L12 D37 S47 A191L12-L40 HydrophobicContact CD1-CB 4.27Å; L12-L40 HydrophobicContact CD1-CD1 4.21Å; L12-L40 HydrophobicContact CD2-CB 3.74Å; L12-L40 HydrophobicContact CD2-CD1 4.23Å; D37-L40 HydrophobicContact CB-CD1 4.12Å; D37-L40 HydrophobicContact CB-CG 3.95Å; D37-L40 WeakPolarHBondContact O-CB 3.24Å; D37-L40 WeakPolarHBondContact O-CD1 3.48Å; D37-L40 WeakPolarHBondContact O-CG 3.45Å; D37-L40 PolarHBondContact O-N 3.33Å; L40-S47 WeakPolarHBondContact O-CA 3.35Å; L40-A191 VanDerWaalsContact CD2-C 3.48Å; L40-A191 HydrophobicContact CD2-CB 4.19Å; L40-A191 WeakPolarHBondContact CD2-O 3.49Å
41G84.1Confident88Confident14 Ų1437.6 Ų37.614%0.14420%0.197CC..BIsolated β-bridgetrans-88.3156.117100000111.9N39 F46N39-G41 PolarHBondContact O-N 3.15Å; G41-F46 CarbonylContact C-O 3.57Å; G41-F46 VanDerWaalsContact CA-O 3.31Å; G41-F46 WeakPolarHBondContact CA-O 3.31Å
42D85.9Confident88.4Confident31 Ų3137.5 Ų37.517%0.16620%0.197CC..  trans-73.7-175.3162.965.515.7000111.4F16 H44 G45 F46 W51F16-D42 HydrophobicContact CD2-CB 3.98Å; F16-D42 HydrophobicContact CE1-CB 4.49Å; F16-D42 HydrophobicContact CE2-CB 3.55Å; F16-D42 HydrophobicContact CZ-CB 3.87Å; F16-D42 VanDerWaalsContact CZ-N 3.27Å; D42-H44 PolarHBondContact O-N 3.34Å; D42-H44 WeakPolarHBondContact OD1-CA 3.31Å; D42-H44 WeakPolarHBondContact OD1-CB 3.48Å; D42-H44 PolarHBondContact OD1-N 3.02Å; D42-G45 PolarHBondContact O-N 3.32Å; D42-G45 PolarHBondContact OD1-N 2.85Å; D42-G45 VanDerWaalsContact OD1-N 3.13Å; D42-F46 PolarHBondContact N-O 3.28Å; D42-F46 WeakPolarHBondContact OD1-CB 3.38Å; D42-F46 PolarHBondContact OD1-N 2.98Å; D42-W51 VanDerWaalsContact OD2-CZ2 3.28Å; D42-W51 WeakPolarHBondContact OD2-CZ2 3.1Å; D42-W51 PolarHBondContact OD2-NE1 2.93Å
43D84.3Confident88.8Confident146 Ų14633.1 Ų33.178%0.78117%0.173SC*.THydrogen-bonded Turntrans-62.9-10.9-179.9-64.7-13.4000113.7
44H85.4Confident89.3Confident124 Ų12433 Ų3357%0.57417%0.169SC*.THydrogen-bonded Turntrans-106.68.4174.5-57.8-47.5000112.7D42 F46 V76D42-H44 PolarHBondContact O-N 3.34Å; D42-H44 WeakPolarHBondContact OD1-CA 3.31Å; D42-H44 WeakPolarHBondContact OD1-CB 3.48Å; D42-H44 PolarHBondContact OD1-N 3.02Å; H44-F46 VanDerWaalsContact C-N 3.29Å; H44-F46 HydrophobicContact CB-CD2 3.83Å; H44-F46 HydrophobicContact CB-CE2 4.15Å; H44-F46 PolarHBondContact O-N 3.13Å; H44-V76 WeakPolarHBondContact O-CB 3.33Å; H44-V76 VanDerWaalsContact O-CG2 3.26Å; H44-V76 WeakPolarHBondContact O-CG2 3.27Å; H44-V76 PolarHBondContact O-N 3.23Å
45G84.9Confident90Very high18 Ų1832.9 Ų32.919%0.18618%0.175CC..  trans75.49.8-179.400000114.3D42 S47 N75D42-G45 PolarHBondContact O-N 3.32Å; D42-G45 PolarHBondContact OD1-N 2.85Å; D42-G45 VanDerWaalsContact OD1-N 3.13Å; G45-S47 PolarHBondContact O-N 3.47Å; G45-N75 WeakPolarHBondContact O-CA 3.45Å
46F90.6Very high90.8Very high31 Ų3130.4 Ų30.414%0.13617%0.17CC..  trans-76.8115.6176.1-75.5-113.8000109.8F16 G41 D42 H44 H50 W51 N75 L84F16-F46 WeakPolarHBondContact CE1-O 3.37Å; G41-F46 CarbonylContact C-O 3.57Å; G41-F46 VanDerWaalsContact CA-O 3.31Å; G41-F46 WeakPolarHBondContact CA-O 3.31Å; D42-F46 PolarHBondContact N-O 3.28Å; D42-F46 WeakPolarHBondContact OD1-CB 3.38Å; D42-F46 PolarHBondContact OD1-N 2.98Å; H44-F46 VanDerWaalsContact C-N 3.29Å; H44-F46 HydrophobicContact CB-CD2 3.83Å; H44-F46 HydrophobicContact CB-CE2 4.15Å; H44-F46 PolarHBondContact O-N 3.13Å; F46-H50 HydrophobicContact CB-CB 4.08Å; F46-H50 HydrophobicContact CD1-CB 3.66Å; F46-H50 HydrophobicContact CG-CB 4.23Å; F46-W51 HydrophobicContact CB-CZ2 4.22Å; F46-W51 VanDerWaalsContact CB-NE1 3.26Å; F46-W51 HydrophobicContact CD1-CD2 4.4Å; F46-W51 HydrophobicContact CD1-CZ2 4.29Å; F46-W51 HydrophobicContact CG-CZ2 4.19Å; F46-N75 HydrophobicContact CD2-CB 3.79Å; F46-N75 HydrophobicContact CE2-CB 3.89Å; F46-N75 WeakPolarHBondContact CE2-ND2 3.36Å; F46-N75 HydrophobicContact CG-CB 4.24Å; F46-N75 HydrophobicContact CZ-CB 4.42Å; F46-N75 WeakPolarHBondContact CZ-ND2 3.26Å; F46-L84 HydrophobicContact CD1-CD1 3.92Å; F46-L84 HydrophobicContact CE1-CD1 3.56Å; F46-L84 HydrophobicContact CE1-CD2 4.12Å
47S91.5Very high91.4Very high5 Ų530.3 Ų30.34%0.03517%0.169CC..BIsolated β-bridgetrans-74.4170169.574.10000112.4L40 G45 L49 H50 W51L40-S47 WeakPolarHBondContact O-CA 3.35Å; G45-S47 PolarHBondContact O-N 3.47Å; S47-L49 PolarHBondContact O-N 3.35Å; S47-L49 PolarHBondContact OG-N 3.49Å; S47-H50 PolarHBondContact N-ND1 3.47Å; S47-H50 VanDerWaalsContact N-ND1 3.13Å; S47-H50 WeakPolarHBondContact O-CB 3.44Å; S47-H50 PolarHBondContact O-N 3.01Å; S47-H50 PolarHBondContact OG-ND1 3.33Å; S47-W51 PolarHBondContact O-N 3.45Å
48L94.8Very high92.1Very high1 Ų131.7 Ų31.71%0.00518%0.177CC..Hα-helixtrans-54.6-36.9173.1-59.3178.6000111.8V15 F16 V19 W30 L38 H50 W51 A52 L64V15-L48 HydrophobicContact CB-CD2 4.41Å; V15-L48 HydrophobicContact CG1-CD1 4.16Å; V15-L48 HydrophobicContact CG1-CD2 3.74Å; F16-L48 HydrophobicContact CD1-CD2 3.55Å; F16-L48 HydrophobicContact CE1-CD2 3.59Å; F16-L48 HydrophobicContact CE1-CG 4.26Å; F16-L48 HydrophobicContact CG-CD2 4.43Å; V19-L48 WeakPolarHBondContact CG1-O 3.34Å; V19-L48 HydrophobicContact CG2-CB 4.32Å; V19-L48 HydrophobicContact CG2-CD2 3.81Å; W30-L48 HydrophobicContact CE3-CD1 4.12Å; W30-L48 HydrophobicContact CH2-CD1 3.94Å; W30-L48 HydrophobicContact CZ3-CD1 3.43Å; W30-L48 VanDerWaalsContact CZ3-CD1 3.43Å; L38-L48 HydrophobicContact CB-CD1 4.13Å; L48-H50 VanDerWaalsContact C-N 3.34Å; L48-H50 PolarHBondContact O-N 2.9Å; L48-W51 PolarHBondContact O-N 2.98Å; L48-A52 VanDerWaalsContact O-CB 3.32Å; L48-A52 WeakPolarHBondContact O-CB 3.28Å; L48-A52 PolarHBondContact O-N 3.49Å; L48-L64 HydrophobicContact CB-CD1 3.75Å; L48-L64 HydrophobicContact CB-CD2 3.85Å; L48-L64 HydrophobicContact CB-CG 4.49Å; L48-L64 HydrophobicContact CD1-CD2 3.94Å
49L96.2Very high92.6Very high2 Ų239.5 Ų39.51%0.0121%0.21CC..Hα-helixtrans-66.4-36.8178.8-173.464.2000111.8S47 A53 V61 L64 L65 A69 A81 L97S47-L49 PolarHBondContact O-N 3.35Å; S47-L49 PolarHBondContact OG-N 3.49Å; L49-A53 WeakPolarHBondContact O-CB 3.5Å; L49-A53 PolarHBondContact O-N 3.18Å; L49-V61 HydrophobicContact CD1-CB 4.46Å; L49-V61 HydrophobicContact CD1-CG1 4.06Å; L49-V61 HydrophobicContact CD1-CG2 4.39Å; L49-L64 HydrophobicContact CB-CD1 4.35Å; L49-L64 HydrophobicContact CD1-CB 4.35Å; L49-L64 HydrophobicContact CD1-CD1 4.42Å; L49-L65 HydrophobicContact CD1-CD2 4.26Å; L49-L65 HydrophobicContact CD1-CG 4.21Å; L49-L65 HydrophobicContact CD2-CD2 3.95Å; L49-A69 HydrophobicContact CB-CB 4.31Å; L49-A69 HydrophobicContact CD2-CB 4.07Å; L49-A81 HydrophobicContact CD2-CB 4.07Å; L49-A81 HydrophobicContact CG-CB 3.8Å; L49-L97 HydrophobicContact CD1-CD2 4.2Å; L49-L97 HydrophobicContact CD2-CD2 4.16Å; L49-L97 HydrophobicContact CG-CD2 4.4Å
50H96.4Very high93.2Very high2 Ų238.5 Ų38.51%0.00921%0.205CC..Hα-helixtrans-62.3-48.6175.2-7092.1000111.5F46 S47 L48 A53 K54 A73 D79 L84F46-H50 HydrophobicContact CB-CB 4.08Å; F46-H50 HydrophobicContact CD1-CB 3.66Å; F46-H50 HydrophobicContact CG-CB 4.23Å; S47-H50 PolarHBondContact N-ND1 3.47Å; S47-H50 VanDerWaalsContact N-ND1 3.13Å; S47-H50 WeakPolarHBondContact O-CB 3.44Å; S47-H50 PolarHBondContact O-N 3.01Å; S47-H50 PolarHBondContact OG-ND1 3.33Å; L48-H50 VanDerWaalsContact C-N 3.34Å; L48-H50 PolarHBondContact O-N 2.9Å; H50-A53 PolarHBondContact O-N 2.88Å; H50-K54 VanDerWaalsContact O-CB 3.31Å; H50-K54 WeakPolarHBondContact O-CB 3.19Å; H50-K54 PolarHBondContact O-N 3.24Å; H50-A73 PolarHBondContact CE1-O 3.05Å; H50-A73 VanDerWaalsContact CE1-O 3.27Å; H50-A73 PolarHBondContact NE2-O 3.04Å; H50-A73 VanDerWaalsContact NE2-O 3.13Å; H50-D79 PolarHBondContact NE2-O 3.3Å; H50-D79 VanDerWaalsContact NE2-O 3.07Å; H50-L84 HydrophobicContact CB-CD1 3.59Å; H50-L84 WeakPolarHBondContact O-CD1 3.13Å
51W97.6Very high94Very high41 Ų4138 Ų3816%0.15520%0.203CC..Hα-helixtrans-65.4-41.3179.3-73.3113.6000112.3F16 V19 R20 D42 F46 S47 L48 A53 K54 G55F16-W51 AromaticContact CD1-CD1 3.42Å; F16-W51 VanDerWaalsContact CD1-CD1 3.42Å; F16-W51 HydrophobicContact CD1-CG 4.43Å; F16-W51 AromaticContact CD1-NE1 3.79Å; F16-W51 AromaticContact CE1-CD1 3.9Å; V19-W51 HydrophobicContact CB-CB 4.39Å; V19-W51 HydrophobicContact CG1-CB 3.63Å; R20-W51 HydrophobicContact CG-CB 4.33Å; R20-W51 HydrophobicContact CG-CD2 3.87Å; R20-W51 HydrophobicContact CG-CE3 3.53Å; R20-W51 HydrophobicContact CG-CG 4.24Å; R20-W51 HydrophobicContact CG-CZ3 4.11Å; D42-W51 VanDerWaalsContact OD2-CZ2 3.28Å; D42-W51 WeakPolarHBondContact OD2-CZ2 3.1Å; D42-W51 PolarHBondContact OD2-NE1 2.93Å; F46-W51 HydrophobicContact CB-CZ2 4.22Å; F46-W51 VanDerWaalsContact CB-NE1 3.26Å; F46-W51 HydrophobicContact CD1-CD2 4.4Å; F46-W51 HydrophobicContact CD1-CZ2 4.29Å; F46-W51 HydrophobicContact CG-CZ2 4.19Å; S47-W51 PolarHBondContact O-N 3.45Å; L48-W51 PolarHBondContact O-N 2.98Å; W51-A53 VanDerWaalsContact C-N 3.33Å; W51-A53 PolarHBondContact O-N 3.06Å; W51-K54 HydrophobicContact CE3-CD 4.22Å; W51-K54 HydrophobicContact CZ3-CD 4.06Å; W51-K54 PolarHBondContact O-N 2.65Å; W51-G55 PolarHBondContact O-N 2.9Å
52A98.3Very high94.6Very high0 Ų038.8 Ų38.80%020%0.203CC..Hα-helixtrans-63.1-41.3175.900000111.7V19 L48 G55 G56 H57 I60 V61 L64V19-A52 HydrophobicContact CG1-CB 3.79Å; V19-A52 VanDerWaalsContact CG1-N 3.29Å; L48-A52 VanDerWaalsContact O-CB 3.32Å; L48-A52 WeakPolarHBondContact O-CB 3.28Å; L48-A52 PolarHBondContact O-N 3.49Å; A52-G55 PolarHBondContact O-N 3.4Å; A52-G56 PolarHBondContact O-N 2.92Å; A52-G56 VanDerWaalsContact O-N 3.13Å; A52-H57 PolarHBondContact O-N 3.22Å; A52-I60 HydrophobicContact CB-CB 4.13Å; A52-I60 HydrophobicContact CB-CG2 3.63Å; A52-V61 HydrophobicContact CB-CG2 3.75Å; A52-L64 HydrophobicContact CB-CD1 4.02Å
53A98.4Very high95.1Very high0 Ų038.2 Ų38.20%020%0.2CC..Hα-helixtrans-69.5-41.2178.800000112.6L49 H50 W51 G55 G56 A81 A85 H90 V93 L97L49-A53 WeakPolarHBondContact O-CB 3.5Å; L49-A53 PolarHBondContact O-N 3.18Å; H50-A53 PolarHBondContact O-N 2.88Å; W51-A53 VanDerWaalsContact C-N 3.33Å; W51-A53 PolarHBondContact O-N 3.06Å; A53-G55 VanDerWaalsContact C-N 3.32Å; A53-G55 PolarHBondContact O-N 3Å; A53-G56 PolarHBondContact O-N 3.45Å; A53-A81 HydrophobicContact CB-CB 3.84Å; A53-A81 WeakPolarHBondContact CB-O 3.03Å; A53-A85 HydrophobicContact CB-CB 4.24Å; A53-H90 PolarHBondContact O-CD2 3Å; A53-V93 HydrophobicContact CB-CG1 4.02Å; A53-L97 HydrophobicContact CB-CD1 4.36Å
54K98.1Very high95.7Very high72 Ų7231.3 Ų31.331%0.31316%0.163SC..Hα-helixtrans-63.3-35.5174.8-171.8179178179.40112.8H50 W51 L84 H90H50-K54 VanDerWaalsContact O-CB 3.31Å; H50-K54 WeakPolarHBondContact O-CB 3.19Å; H50-K54 PolarHBondContact O-N 3.24Å; W51-K54 HydrophobicContact CE3-CD 4.22Å; W51-K54 HydrophobicContact CZ3-CD 4.06Å; W51-K54 PolarHBondContact O-N 2.65Å; K54-L84 HydrophobicContact CB-CB 4.16Å; K54-L84 HydrophobicContact CB-CD1 4.34Å; K54-H90 PolarHBondContact O-NE2 3.42Å
55G97.9Very high96.1Very high33 Ų3326 Ų2634%0.3414%0.139SC..THydrogen-bonded Turntrans-85.9-6.1178.500000115W51 A52 A53 H57W51-G55 PolarHBondContact O-N 2.9Å; A52-G55 PolarHBondContact O-N 3.4Å; A53-G55 VanDerWaalsContact C-N 3.32Å; A53-G55 PolarHBondContact O-N 3Å; G55-H57 VanDerWaalsContact C-N 3.3Å; G55-H57 PolarHBondContact O-N 2.88Å
56G98.1Very high96.4Very high24 Ų2431.2 Ų31.225%0.24716%0.158CC..THydrogen-bonded Turntrans72.919.5-178.200000114.2A52 A53 L58 H90A52-G56 PolarHBondContact O-N 2.92Å; A52-G56 VanDerWaalsContact O-N 3.13Å; A53-G56 PolarHBondContact O-N 3.45Å; G56-L58 VanDerWaalsContact C-N 3.35Å; G56-L58 PolarHBondContact O-N 2.87Å; G56-H90 WeakPolarHBondContact CA-CD2 3.42Å; G56-H90 VanDerWaalsContact CA-CG 3.43Å; G56-H90 PolarHBondContact N-CD2 3.39Å; G56-H90 VanDerWaalsContact N-CD2 3.28Å; G56-H90 PolarHBondContact N-NE2 2.98Å
57H98.4Very high96.4Very high48 Ų4833 Ų3322%0.22216%0.164CC..  trans-82.773.4-171.9-61.8-51.8000112.1V19 R20 G22 A52 G55 K59 I60 V61V19-H57 PolarHBondContact O-CD2 3.35Å; V19-H57 PolarHBondContact O-NE2 3.35Å; R20-H57 PolarHBondContact O-NE2 3.23Å; G22-H57 WeakPolarHBondContact CA-CE1 3.47Å; G22-H57 WeakPolarHBondContact CA-ND1 3.34Å; G22-H57 WeakPolarHBondContact CA-NE2 3.43Å; G22-H57 PolarHBondContact N-NE2 3.05Å; A52-H57 PolarHBondContact O-N 3.22Å; G55-H57 VanDerWaalsContact C-N 3.3Å; G55-H57 PolarHBondContact O-N 2.88Å; H57-K59 VanDerWaalsContact C-N 3.28Å; H57-K59 PolarHBondContact O-N 3.34Å; H57-K59 VanDerWaalsContact O-N 3.14Å; H57-I60 HydrophobicContact CB-CB 4.09Å; H57-I60 HydrophobicContact CB-CD1 3.98Å; H57-I60 HydrophobicContact CB-CG1 4.24Å; H57-I60 WeakPolarHBondContact O-CA 3.47Å; H57-I60 WeakPolarHBondContact O-CB 3.36Å; H57-I60 PolarHBondContact O-N 3.37Å; H57-V61 PolarHBondContact O-N 2.97Å
58L98.2Very high96.2Very high39 Ų3933.5 Ų33.520%0.20417%0.17CC..Hα-helixtrans-50.5-42.5-174.2-178.465.3000113.7G56 I60 V61 D62 E92 V93 R96G56-L58 VanDerWaalsContact C-N 3.35Å; G56-L58 PolarHBondContact O-N 2.87Å; L58-I60 VanDerWaalsContact C-N 3.29Å; L58-I60 PolarHBondContact O-N 3.25Å; L58-V61 WeakPolarHBondContact O-CB 3.47Å; L58-V61 PolarHBondContact O-N 3.39Å; L58-D62 PolarHBondContact O-N 2.95Å; L58-E92 HydrophobicContact CD2-CB 4.11Å; L58-E92 WeakPolarHBondContact CD2-OE2 3.41Å; L58-V93 HydrophobicContact CB-CG2 4.33Å; L58-V93 HydrophobicContact CD1-CG2 4.36Å; L58-R96 HydrophobicContact CD1-CB 3.89Å; L58-R96 HydrophobicContact CD1-CG 4.16Å
59K98Very high96Very high166 Ų16634 Ų3472%0.72218%0.175SC*.Hα-helixtrans-61.7-36.2178.3-69.6-179.3-179.1173.80112.8H57 M63H57-K59 VanDerWaalsContact C-N 3.28Å; H57-K59 PolarHBondContact O-N 3.34Å; H57-K59 VanDerWaalsContact O-N 3.14Å; K59-M63 WeakPolarHBondContact O-CG 3.35Å; K59-M63 PolarHBondContact O-N 3.02Å
60I98.4Very high95.6Very high1 Ų137.2 Ų37.21%0.00519%0.187CC..Hα-helixtrans-74.2-43.2177.2-65.7175.4000109.7V19 A24 V27 A52 H57 L58 D62 M63 L64V19-I60 HydrophobicContact CG1-CG2 4.3Å; V19-I60 HydrophobicContact CG2-CG2 4.34Å; A24-I60 HydrophobicContact CB-CG1 3.95Å; V27-I60 HydrophobicContact CG1-CG2 4.13Å; V27-I60 HydrophobicContact CG2-CD1 4.18Å; A52-I60 HydrophobicContact CB-CB 4.13Å; A52-I60 HydrophobicContact CB-CG2 3.63Å; H57-I60 HydrophobicContact CB-CB 4.09Å; H57-I60 HydrophobicContact CB-CD1 3.98Å; H57-I60 HydrophobicContact CB-CG1 4.24Å; H57-I60 WeakPolarHBondContact O-CA 3.47Å; H57-I60 WeakPolarHBondContact O-CB 3.36Å; H57-I60 PolarHBondContact O-N 3.37Å; L58-I60 VanDerWaalsContact C-N 3.29Å; L58-I60 PolarHBondContact O-N 3.25Å; I60-D62 VanDerWaalsContact C-N 3.29Å; I60-D62 PolarHBondContact O-N 3.17Å; I60-M63 HydrophobicContact CG1-CE 4.2Å; I60-M63 PolarHBondContact O-N 3.42Å; I60-L64 HydrophobicContact CG2-CD1 3.68Å; I60-L64 HydrophobicContact CG2-CG 4.07Å; I60-L64 WeakPolarHBondContact O-CB 3.39Å; I60-L64 VanDerWaalsContact O-CG 3.27Å; I60-L64 WeakPolarHBondContact O-CG 3.38Å; I60-L64 PolarHBondContact O-N 3.33Å
61V98.3Very high95.3Very high0 Ų037.6 Ų37.60%019%0.19CC..Hα-helixtrans-53.9-48174.1171.90000110.7L49 A52 H57 L58 M63 L64 L65 V93 R96 L97L49-V61 HydrophobicContact CD1-CB 4.46Å; L49-V61 HydrophobicContact CD1-CG1 4.06Å; L49-V61 HydrophobicContact CD1-CG2 4.39Å; A52-V61 HydrophobicContact CB-CG2 3.75Å; H57-V61 PolarHBondContact O-N 2.97Å; L58-V61 WeakPolarHBondContact O-CB 3.47Å; L58-V61 PolarHBondContact O-N 3.39Å; V61-M63 PolarHBondContact O-N 3.46Å; V61-L64 PolarHBondContact O-N 3.27Å; V61-L65 HydrophobicContact CG1-CD1 3.64Å; V61-L65 HydrophobicContact CG1-CG 4.32Å; V61-L65 WeakPolarHBondContact O-CB 3.36Å; V61-L65 VanDerWaalsContact O-CG 3.29Å; V61-L65 WeakPolarHBondContact O-CG 3.38Å; V61-L65 PolarHBondContact O-N 2.98Å; V61-V93 HydrophobicContact CG1-CG1 4.47Å; V61-V93 HydrophobicContact CG2-CG1 4.03Å; V61-V93 HydrophobicContact CG2-CG2 4.32Å; V61-R96 HydrophobicContact CG1-CG 4.06Å; V61-L97 HydrophobicContact CG1-CD2 4.38Å
62D97.4Very high94.9Very high30 Ų3038 Ų3816%0.1619%0.194CC..Hα-helixtrans-58.5-47.9177.9-76.80.9000112.5L58 I60 Q66 R96L58-D62 PolarHBondContact O-N 2.95Å; I60-D62 VanDerWaalsContact C-N 3.29Å; I60-D62 PolarHBondContact O-N 3.17Å; D62-Q66 WeakPolarHBondContact O-CB 3.5Å; D62-Q66 WeakPolarHBondContact O-CG 3.29Å; D62-Q66 PolarHBondContact O-N 3.24Å; D62-R96 VanDerWaalsContact OD1-CD 3.28Å; D62-R96 WeakPolarHBondContact OD1-CD 3.48Å; D62-R96 VanDerWaalsContact OD1-CG 3.28Å; D62-R96 WeakPolarHBondContact OD1-CG 3.31Å; D62-R96 IonicContact OD1-CZ 3.52Å; D62-R96 IonicContact OD1-NE 2.85Å; D62-R96 PolarHBondContact OD1-NE 3.04Å; D62-R96 VanDerWaalsContact OD1-NE 3.16Å; D62-R96 IonicContact OD1-NH1 3.21Å; D62-R96 PolarHBondContact OD1-NH1 3.04Å; D62-R96 IonicContact OD1-NH2 2.81Å; D62-R96 PolarHBondContact OD1-NH2 3.15Å; D62-R96 IonicContact OD2-CZ 3.77Å; D62-R96 IonicContact OD2-NH1 2.77Å; D62-R96 PolarHBondContact OD2-NH1 3.45Å; D62-R96 IonicContact OD2-NH2 3.11Å; D62-R96 PolarHBondContact OD2-NH2 3.34Å
63M96.4Very high94.3Very high20 Ų2038.4 Ų38.410%0.09920%0.198CC..Hα-helixtrans-63.3-44.3178.7-71.5-173.7-54.700111.8A24 V27 R28 L31 K59 I60 V61 Q66 R67A24-M63 HydrophobicContact CB-CE 3.91Å; A24-M63 WeakPolarHBondContact O-CE 3.36Å; V27-M63 HydrophobicContact CG1-CE 4.46Å; R28-M63 HydrophobicContact CB-CE 4.42Å; R28-M63 HydrophobicContact CB-SD 3.9Å; R28-M63 HydrophobicContact CG-SD 4.26Å; L31-M63 HydrophobicContact CD1-CB 4.3Å; K59-M63 WeakPolarHBondContact O-CG 3.35Å; K59-M63 PolarHBondContact O-N 3.02Å; I60-M63 HydrophobicContact CG1-CE 4.2Å; I60-M63 PolarHBondContact O-N 3.42Å; V61-M63 PolarHBondContact O-N 3.46Å; M63-Q66 PolarHBondContact O-N 3.42Å; M63-R67 WeakPolarHBondContact O-CB 3.45Å; M63-R67 WeakPolarHBondContact O-CG 3.5Å; M63-R67 PolarHBondContact O-N 3.2Å
64L95.5Very high93.9Very high1 Ų139.6 Ų39.61%0.00521%0.205CC..Hα-helixtrans-63.4-46.7-179.8-70.5173000111.4L31 L38 L48 L49 A52 I60 V61 R67 G68 A69L31-L64 HydrophobicContact CD1-CD2 4.02Å; L31-L64 HydrophobicContact CD2-CD2 4.14Å; L38-L64 HydrophobicContact CB-CD2 4.3Å; L38-L64 HydrophobicContact CD1-CD2 4.42Å; L48-L64 HydrophobicContact CB-CD1 3.75Å; L48-L64 HydrophobicContact CB-CD2 3.85Å; L48-L64 HydrophobicContact CB-CG 4.49Å; L48-L64 HydrophobicContact CD1-CD2 3.94Å; L49-L64 HydrophobicContact CB-CD1 4.35Å; L49-L64 HydrophobicContact CD1-CB 4.35Å; L49-L64 HydrophobicContact CD1-CD1 4.42Å; A52-L64 HydrophobicContact CB-CD1 4.02Å; I60-L64 HydrophobicContact CG2-CD1 3.68Å; I60-L64 HydrophobicContact CG2-CG 4.07Å; I60-L64 WeakPolarHBondContact O-CB 3.39Å; I60-L64 VanDerWaalsContact O-CG 3.27Å; I60-L64 WeakPolarHBondContact O-CG 3.38Å; I60-L64 PolarHBondContact O-N 3.33Å; V61-L64 PolarHBondContact O-N 3.27Å; L64-R67 CarbonylContact O-C 3.58Å; L64-R67 PolarHBondContact O-N 3.06Å; L64-G68 PolarHBondContact O-N 3.31Å; L64-A69 HydrophobicContact CB-CB 3.93Å; L64-A69 WeakPolarHBondContact O-CB 3.48Å; L64-A69 PolarHBondContact O-N 3.22Å
65L93.9Very high93.4Very high12 Ų1236.5 Ų36.56%0.06319%0.192CC..Hα-helixtrans-63-43.7178.3-69.1170.5000111.6L49 V61 R67 G68 A69 V71 R96 L97 H100L49-L65 HydrophobicContact CD1-CD2 4.26Å; L49-L65 HydrophobicContact CD1-CG 4.21Å; L49-L65 HydrophobicContact CD2-CD2 3.95Å; V61-L65 HydrophobicContact CG1-CD1 3.64Å; V61-L65 HydrophobicContact CG1-CG 4.32Å; V61-L65 WeakPolarHBondContact O-CB 3.36Å; V61-L65 VanDerWaalsContact O-CG 3.29Å; V61-L65 WeakPolarHBondContact O-CG 3.38Å; V61-L65 PolarHBondContact O-N 2.98Å; L65-R67 PolarHBondContact O-N 2.82Å; L65-G68 PolarHBondContact O-N 2.99Å; L65-A69 HydrophobicContact CD2-CB 4.49Å; L65-V71 HydrophobicContact CD2-CB 4.24Å; L65-V71 HydrophobicContact CD2-CG2 4.21Å; L65-R96 HydrophobicContact CD1-CG 3.92Å; L65-L97 HydrophobicContact CD1-CD2 4.34Å; L65-L97 HydrophobicContact CD2-CD2 4.49Å; L65-H100 HydrophobicContact CD1-CB 4.22Å; L65-H100 HydrophobicContact CD2-CB 4.24Å
66Q92.1Very high92.9Very high127 Ų12739.2 Ų39.259%0.59320%0.202SC*.Hα-helixtrans-61.7-31.6175.9-74.1170.93.300113D62 M63 G68D62-Q66 WeakPolarHBondContact O-CB 3.5Å; D62-Q66 WeakPolarHBondContact O-CG 3.29Å; D62-Q66 PolarHBondContact O-N 3.24Å; M63-Q66 PolarHBondContact O-N 3.42Å; Q66-G68 VanDerWaalsContact C-N 3.31Å
67R90.5Very high92.5Very high68 Ų6838.5 Ų38.526%0.25720%0.195SC..THydrogen-bonded Turntrans-87.22.9177.8-62.8-77.2177.598.80.5113L31 D32 L38 M63 L64 L65 S257 H258L31-R67 HydrophobicContact CD1-CG 4.44Å; L31-R67 PolarHBondContact O-NH1 2.93Å; D32-R67 IonicContact OD1-CZ 2.88Å; D32-R67 IonicContact OD1-NH1 2.76Å; D32-R67 PolarHBondContact OD1-NH1 3.03Å; D32-R67 VanDerWaalsContact OD1-NH1 3.12Å; D32-R67 IonicContact OD1-NH2 2.96Å; D32-R67 PolarHBondContact OD1-NH2 2.85Å; L38-R67 HydrophobicContact CD2-CB 3.46Å; L38-R67 VanDerWaalsContact CD2-CB 3.46Å; L38-R67 WeakPolarHBondContact CD2-O 3.5Å; M63-R67 WeakPolarHBondContact O-CB 3.45Å; M63-R67 WeakPolarHBondContact O-CG 3.5Å; M63-R67 PolarHBondContact O-N 3.2Å; L64-R67 CarbonylContact O-C 3.58Å; L64-R67 PolarHBondContact O-N 3.06Å; L65-R67 PolarHBondContact O-N 2.82Å; R67-S257 WeakPolarHBondContact CD-O 3.34Å; R67-S257 CarbonylContact O-C 3.55Å; R67-H258 PolarHBondContact O-N 2.99Å; R67-H258 VanDerWaalsContact O-N 3.16Å
68G87.6Confident92.1Very high16 Ų1636.8 Ų36.817%0.16519%0.187CC..THydrogen-bonded Turntrans96.229.9173.600000115.4N39 L64 L65 Q66 R70N39-G68 PolarHBondContact ND2-O 3.33Å; L64-G68 PolarHBondContact O-N 3.31Å; L65-G68 PolarHBondContact O-N 2.99Å; Q66-G68 VanDerWaalsContact C-N 3.31Å; G68-R70 PolarHBondContact O-N 2.79Å
69A90Very high91.9Very high13 Ų1336 Ų3611%0.10718%0.184CC..  trans-60.1131.3170.500000111.5L38 N39 L49 L64 L65 V71L38-A69 HydrophobicContact CD1-CB 3.53Å; N39-A69 WeakPolarHBondContact OD1-CA 3.3Å; L49-A69 HydrophobicContact CB-CB 4.31Å; L49-A69 HydrophobicContact CD2-CB 4.07Å; L64-A69 HydrophobicContact CB-CB 3.93Å; L64-A69 WeakPolarHBondContact O-CB 3.48Å; L64-A69 PolarHBondContact O-N 3.22Å; L65-A69 HydrophobicContact CD2-CB 4.49Å; A69-V71 PolarHBondContact O-N 3.02Å
70R87.5Confident91.8Very high69 Ų6928.3 Ų28.326%0.2615%0.15SC..  trans-68.3101.5174.8-68.8175.7178.8169.8-3.8109.2N39 G68 N72 A73 S188N39-R70 WeakPolarHBondContact OD1-CG 3.43Å; N39-R70 PolarHBondContact OD1-N 2.67Å; G68-R70 PolarHBondContact O-N 2.79Å; R70-N72 PolarHBondContact O-N 3.45Å; R70-A73 HydrophobicContact CB-CB 3.92Å; R70-A73 WeakPolarHBondContact O-CB 3.39Å; R70-A73 PolarHBondContact O-N 2.92Å; R70-S188 VanDerWaalsContact NH1-CB 3.35Å
71V90Very high91.7Very high10 Ų1028.3 Ų28.36%0.06115%0.15CC..THydrogen-bonded Turntrans-60.6-33.5-175.171.50000113L65 A69 L97 H100 A102L65-V71 HydrophobicContact CD2-CB 4.24Å; L65-V71 HydrophobicContact CD2-CG2 4.21Å; A69-V71 PolarHBondContact O-N 3.02Å; V71-L97 HydrophobicContact CG2-CD2 3.96Å; V71-H100 WeakPolarHBondContact CG1-O 3.27Å; V71-H100 HydrophobicContact CG2-CB 4.42Å; V71-A102 HydrophobicContact CG2-CB 3.72Å
72N89.3Confident91.7Very high48 Ų4828.3 Ų28.326%0.25715%0.151SC..THydrogen-bonded Turntrans-10012.5-177.8-64.9-42.9000113.3R70 K101 A102 D103R70-N72 PolarHBondContact O-N 3.45Å; N72-K101 PolarHBondContact ND2-O 3.13Å; N72-A102 WeakPolarHBondContact OD1-CA 3.43Å; N72-D103 PolarHBondContact OD1-N 2.86Å
73A86.2Confident91.7Very high10 Ų1027 Ų278%0.08314%0.143CC..  trans-60.2146.2172.200000110.5H50 R70 T80 S188H50-A73 PolarHBondContact CE1-O 3.05Å; H50-A73 VanDerWaalsContact CE1-O 3.27Å; H50-A73 PolarHBondContact NE2-O 3.04Å; H50-A73 VanDerWaalsContact NE2-O 3.13Å; R70-A73 HydrophobicContact CB-CB 3.92Å; R70-A73 WeakPolarHBondContact O-CB 3.39Å; R70-A73 PolarHBondContact O-N 2.92Å; A73-T80 WeakPolarHBondContact O-CA 3.26Å; A73-S188 WeakPolarHBondContact CA-OG 3.43Å
74T89Confident91.8Very high24 Ų2426.7 Ų26.715%0.14714%0.142CC..BIsolated β-bridgetrans-120.1142.4-178.358.40000111.5D79 T80T74-D79 CarbonylContact C-O 3.57Å; T74-D79 VanDerWaalsContact CA-O 3.26Å; T74-D79 WeakPolarHBondContact CA-O 3.16Å; T74-T80 HydrophobicContact CG2-CG2 3.87Å
75N89Confident92Very high8 Ų826.6 Ų26.64%0.04314%0.142CC..  trans-75.4-174.1167.971.611.5000112.2G45 F46 G77 D78 D79G45-N75 WeakPolarHBondContact O-CA 3.45Å; F46-N75 HydrophobicContact CD2-CB 3.79Å; F46-N75 HydrophobicContact CE2-CB 3.89Å; F46-N75 WeakPolarHBondContact CE2-ND2 3.36Å; F46-N75 HydrophobicContact CG-CB 4.24Å; F46-N75 HydrophobicContact CZ-CB 4.42Å; F46-N75 WeakPolarHBondContact CZ-ND2 3.26Å; N75-G77 PolarHBondContact O-N 3.13Å; N75-G77 WeakPolarHBondContact OD1-CA 3.49Å; N75-G77 PolarHBondContact OD1-N 3.02Å; N75-D78 PolarHBondContact O-N 3.23Å; N75-D78 PolarHBondContact OD1-N 3.05Å; N75-D79 PolarHBondContact N-O 3.23Å; N75-D79 PolarHBondContact OD1-N 3.07Å
76V87.3Confident92.2Very high89 Ų8926 Ų2654%0.53914%0.139SC..THydrogen-bonded Turntrans-59.1-30.4179.4168.20000113.5H44 D78H44-V76 WeakPolarHBondContact O-CB 3.33Å; H44-V76 VanDerWaalsContact O-CG2 3.26Å; H44-V76 WeakPolarHBondContact O-CG2 3.27Å; H44-V76 PolarHBondContact O-N 3.23Å; V76-D78 VanDerWaalsContact C-N 3.27Å; V76-D78 PolarHBondContact O-N 3.47Å
77G89.8Confident92.4Very high10 Ų1020.6 Ų20.610%0.10312%0.116CC..THydrogen-bonded Turntrans-85.310.817700000114.5N75 D79 N108 E109N75-G77 PolarHBondContact O-N 3.13Å; N75-G77 WeakPolarHBondContact OD1-CA 3.49Å; N75-G77 PolarHBondContact OD1-N 3.02Å; G77-D79 PolarHBondContact O-N 2.73Å; G77-N108 WeakPolarHBondContact O-CB 3.26Å; G77-E109 WeakPolarHBondContact CA-OE1 3.5Å; G77-E109 WeakPolarHBondContact O-CB 3.27Å; G77-E109 WeakPolarHBondContact O-CG 3.46Å; G77-E109 PolarHBondContact O-N 2.88Å
78D90.6Very high92.8Very high11 Ų1120.9 Ų20.96%0.05912%0.119CC..SBendtrans61.715.5-173.3-75-9.3000114.3N75 V76 N108 K185 R187N75-D78 PolarHBondContact O-N 3.23Å; N75-D78 PolarHBondContact OD1-N 3.05Å; V76-D78 VanDerWaalsContact C-N 3.27Å; V76-D78 PolarHBondContact O-N 3.47Å; D78-N108 HydrophobicContact CB-CB 4.42Å; D78-N108 WeakPolarHBondContact O-CA 3.32Å; D78-K185 IonicContact OD2-NZ 3.54Å; D78-K185 PolarHBondContact OD2-NZ 3.38Å; D78-R187 IonicContact OD1-CZ 3.63Å; D78-R187 IonicContact OD1-NH1 3.79Å; D78-R187 PolarHBondContact OD1-NH1 3.12Å; D78-R187 IonicContact OD2-CZ 3.12Å; D78-R187 IonicContact OD2-NH1 3.74Å; D78-R187 PolarHBondContact OD2-NH1 2.72Å; D78-R187 IonicContact OD2-NH2 3.16Å
79D93.9Very high93.3Very high24 Ų2421.2 Ų21.213%0.12812%0.123CC..  trans-77.3139.3173.3-70.3-50000110.6H50 T74 N75 G77 H83 N108H50-D79 PolarHBondContact NE2-O 3.3Å; H50-D79 VanDerWaalsContact NE2-O 3.07Å; T74-D79 CarbonylContact C-O 3.57Å; T74-D79 VanDerWaalsContact CA-O 3.26Å; T74-D79 WeakPolarHBondContact CA-O 3.16Å; N75-D79 PolarHBondContact N-O 3.23Å; N75-D79 PolarHBondContact OD1-N 3.07Å; G77-D79 PolarHBondContact O-N 2.73Å; D79-H83 HydrophobicContact CB-CB 4.04Å; D79-H83 IonicContact OD1-CD2 3.35Å; D79-H83 IonicContact OD1-CG 2.73Å; D79-N108 VanDerWaalsContact OD1-CB 3.27Å; D79-N108 WeakPolarHBondContact OD1-CB 3.4Å; D79-N108 PolarHBondContact OD1-ND2 3.49Å
80T94.7Very high93.7Very high3 Ų323.3 Ų23.32%0.01813%0.13CC..BIsolated β-bridgetrans-95.1169170.367.80000111.5A73 T74 L82 H83 L84 A106A73-T80 WeakPolarHBondContact O-CA 3.26Å; T74-T80 HydrophobicContact CG2-CG2 3.87Å; T80-L82 PolarHBondContact O-N 3.25Å; T80-L82 VanDerWaalsContact O-N 3.15Å; T80-L82 PolarHBondContact OG1-N 3.48Å; T80-H83 PolarHBondContact N-ND1 3.01Å; T80-H83 VanDerWaalsContact N-ND1 3.13Å; T80-H83 WeakPolarHBondContact O-CB 3.48Å; T80-H83 PolarHBondContact O-N 3.01Å; T80-H83 PolarHBondContact OG1-N 3.35Å; T80-H83 PolarHBondContact OG1-ND1 3.32Å; T80-L84 PolarHBondContact O-N 2.88Å; T80-A106 HydrophobicContact CG2-CB 4.16Å
81A96.6Very high94.2Very high1 Ų123.3 Ų23.31%0.00813%0.133CC..Hα-helixtrans-53.4-33.9170.200000112.8L49 A53 L84 A85 L97L49-A81 HydrophobicContact CD2-CB 4.07Å; L49-A81 HydrophobicContact CG-CB 3.8Å; A53-A81 HydrophobicContact CB-CB 3.84Å; A53-A81 WeakPolarHBondContact CB-O 3.03Å; A81-L84 PolarHBondContact O-N 3.25Å; A81-A85 PolarHBondContact O-N 2.95Å; A81-L97 HydrophobicContact CB-CD1 4.04Å; A81-L97 HydrophobicContact CB-CD2 4.17Å
82L98.2Very high94.6Very high1 Ų129.3 Ų29.31%0.00516%0.161CC..Hα-helixtrans-68.3-37.3177.6-174.562000112.3T80 S86 V94 L97 L98 A102 P114 L130T80-L82 PolarHBondContact O-N 3.25Å; T80-L82 VanDerWaalsContact O-N 3.15Å; T80-L82 PolarHBondContact OG1-N 3.48Å; L82-S86 VanDerWaalsContact O-CB 3.27Å; L82-S86 WeakPolarHBondContact O-CB 3.49Å; L82-S86 PolarHBondContact O-N 3.18Å; L82-S86 PolarHBondContact O-OG 3.35Å; L82-V94 HydrophobicContact CD1-CB 4.32Å; L82-V94 HydrophobicContact CD1-CG1 3.94Å; L82-V94 HydrophobicContact CD1-CG2 4.28Å; L82-L97 HydrophobicContact CB-CD1 4.28Å; L82-L97 HydrophobicContact CD1-CB 4.21Å; L82-L97 HydrophobicContact CD1-CD1 4.31Å; L82-L98 HydrophobicContact CD1-CD2 4.39Å; L82-L98 HydrophobicContact CD1-CG 4.27Å; L82-L98 HydrophobicContact CD2-CD2 3.86Å; L82-A102 HydrophobicContact CB-CB 4.3Å; L82-A102 HydrophobicContact CD2-CB 3.89Å; L82-P114 HydrophobicContact CB-CG 4.21Å; L82-P114 HydrophobicContact CD2-CB 4.23Å; L82-P114 HydrophobicContact CD2-CG 3.81Å; L82-P114 HydrophobicContact CG-CB 3.87Å; L82-P114 HydrophobicContact CG-CG 3.73Å; L82-L130 HydrophobicContact CD1-CD2 4.16Å; L82-L130 HydrophobicContact CD2-CD2 4.24Å; L82-L130 HydrophobicContact CG-CD2 4.39Å
83H98.2Very high95Very high1 Ų127.2 Ų27.21%0.00515%0.149CC..Hα-helixtrans-60-48.1172.4-69.382.7000110.5D79 T80 S86 A87 A106 N112 Y117D79-H83 HydrophobicContact CB-CB 4.04Å; D79-H83 IonicContact OD1-CD2 3.35Å; D79-H83 IonicContact OD1-CG 2.73Å; T80-H83 PolarHBondContact N-ND1 3.01Å; T80-H83 VanDerWaalsContact N-ND1 3.13Å; T80-H83 WeakPolarHBondContact O-CB 3.48Å; T80-H83 PolarHBondContact O-N 3.01Å; T80-H83 PolarHBondContact OG1-N 3.35Å; T80-H83 PolarHBondContact OG1-ND1 3.32Å; H83-S86 PolarHBondContact O-N 3.2Å; H83-A87 WeakPolarHBondContact O-CB 3.25Å; H83-A87 PolarHBondContact O-N 3.02Å; H83-A106 PolarHBondContact CE1-O 2.91Å; H83-A106 PolarHBondContact NE2-O 3.25Å; H83-N112 PolarHBondContact NE2-O 3.14Å; H83-N112 VanDerWaalsContact NE2-O 3.13Å; H83-Y117 HydrophobicContact CB-CD2 4.15Å; H83-Y117 HydrophobicContact CB-CE2 4.21Å; H83-Y117 AromaticContact CD2-CD2 3.82Å; H83-Y117 AromaticContact CD2-CE2 3.74Å
84L98.1Very high95.6Very high14 Ų1426.7 Ų26.77%0.07315%0.146CC..Hα-helixtrans-65.8-45.1-177-61.3177000112.6F46 H50 K54 T80 A81 S86 A87 H88F46-L84 HydrophobicContact CD1-CD1 3.92Å; F46-L84 HydrophobicContact CE1-CD1 3.56Å; F46-L84 HydrophobicContact CE1-CD2 4.12Å; H50-L84 HydrophobicContact CB-CD1 3.59Å; H50-L84 WeakPolarHBondContact O-CD1 3.13Å; K54-L84 HydrophobicContact CB-CB 4.16Å; K54-L84 HydrophobicContact CB-CD1 4.34Å; T80-L84 PolarHBondContact O-N 2.88Å; A81-L84 PolarHBondContact O-N 3.25Å; L84-S86 VanDerWaalsContact C-N 3.3Å; L84-S86 PolarHBondContact O-N 2.92Å; L84-A87 PolarHBondContact O-N 3.01Å; L84-H88 PolarHBondContact O-N 3.36Å; L84-H88 PolarHBondContact O-ND1 2.88Å
85A98.6Very high96.1Very high0 Ų028 Ų280%015%0.151CC..Hα-helixtrans-61.4-40.5175.400000111.7A53 A81 H88 G89 H90 V93 V94 L97A53-A85 HydrophobicContact CB-CB 4.24Å; A81-A85 PolarHBondContact O-N 2.95Å; A85-H88 PolarHBondContact O-N 3.22Å; A85-G89 PolarHBondContact O-N 3.45Å; A85-G89 VanDerWaalsContact O-N 3.14Å; A85-H90 PolarHBondContact O-N 3.4Å; A85-V93 HydrophobicContact CB-CB 4.22Å; A85-V93 HydrophobicContact CB-CG1 3.68Å; A85-V94 HydrophobicContact CB-CG2 3.72Å; A85-L97 HydrophobicContact CB-CD1 4.19Å
86S98.4Very high96.5Very high0 Ų031 Ų310%016%0.162CC..Hα-helixtrans-68.6-37.7178.6-55.80000112.4L82 H83 L84 H88 G89 P114 Y123L82-S86 VanDerWaalsContact O-CB 3.27Å; L82-S86 WeakPolarHBondContact O-CB 3.49Å; L82-S86 PolarHBondContact O-N 3.18Å; L82-S86 PolarHBondContact O-OG 3.35Å; H83-S86 PolarHBondContact O-N 3.2Å; L84-S86 VanDerWaalsContact C-N 3.3Å; L84-S86 PolarHBondContact O-N 2.92Å; S86-H88 PolarHBondContact O-N 2.93Å; S86-G89 PolarHBondContact O-N 2.98Å; S86-P114 WeakPolarHBondContact CB-O 3.34Å; S86-Y123 VanDerWaalsContact O-CD2 3.29Å; S86-Y123 WeakPolarHBondContact O-CD2 3.4Å
87A97.8Very high97Very high13 Ų1326.8 Ų26.811%0.10714%0.136CC..Hα-helixtrans-70.3-15.417700000114.2H83 L84 Y117 Y123H83-A87 WeakPolarHBondContact O-CB 3.25Å; H83-A87 PolarHBondContact O-N 3.02Å; L84-A87 PolarHBondContact O-N 3.01Å; A87-Y117 HydrophobicContact CB-CD1 3.87Å; A87-Y117 HydrophobicContact CB-CG 3.95Å; A87-Y123 WeakPolarHBondContact O-CE2 3.38Å
88H98.1Very high97.3Very high73 Ų7327.1 Ų27.134%0.33814%0.136SC..THydrogen-bonded Turntrans-115.66.9179.5-63.674.1000113L84 A85 S86 H90L84-H88 PolarHBondContact O-N 3.36Å; L84-H88 PolarHBondContact O-ND1 2.88Å; A85-H88 PolarHBondContact O-N 3.22Å; S86-H88 PolarHBondContact O-N 2.93Å; H88-H90 VanDerWaalsContact C-N 3.31Å; H88-H90 PolarHBondContact O-N 3.38Å
89G97.6Very high97.5Very high23 Ų2332 Ų3224%0.23716%0.162CC..THydrogen-bonded Turntrans71.919.917400000114.7A85 S86 Q91A85-G89 PolarHBondContact O-N 3.45Å; A85-G89 VanDerWaalsContact O-N 3.14Å; S86-G89 PolarHBondContact O-N 2.98Å; G89-Q91 VanDerWaalsContact C-N 3.32Å; G89-Q91 PolarHBondContact O-N 3.34Å
90H98.5Very high97.4Very high57 Ų5734.5 Ų34.526%0.26417%0.173SC..  trans-82.473.7-177-62.9-44.2000111.8A53 K54 G56 A85 H88 E92 V93 V94A53-H90 PolarHBondContact O-CD2 3Å; K54-H90 PolarHBondContact O-NE2 3.42Å; G56-H90 WeakPolarHBondContact CA-CD2 3.42Å; G56-H90 VanDerWaalsContact CA-CG 3.43Å; G56-H90 PolarHBondContact N-CD2 3.39Å; G56-H90 VanDerWaalsContact N-CD2 3.28Å; G56-H90 PolarHBondContact N-NE2 2.98Å; A85-H90 PolarHBondContact O-N 3.4Å; H88-H90 VanDerWaalsContact C-N 3.31Å; H88-H90 PolarHBondContact O-N 3.38Å; H90-E92 PolarHBondContact O-N 3.45Å; H90-V93 HydrophobicContact CB-CB 4.07Å; H90-V93 HydrophobicContact CB-CG2 4.25Å; H90-V93 WeakPolarHBondContact O-CB 3.43Å; H90-V93 PolarHBondContact O-N 3Å; H90-V93 VanDerWaalsContact O-N 3.08Å; H90-V94 PolarHBondContact O-N 3.03Å
91Q98.2Very high97.2Very high70 Ų7040.6 Ų40.633%0.32720%0.199SC..Hα-helixtrans-52.5-46.2-174-171.4-178.83.100114G89 V93 V94 L95 T125 V126 D129G89-Q91 VanDerWaalsContact C-N 3.32Å; G89-Q91 PolarHBondContact O-N 3.34Å; Q91-V93 VanDerWaalsContact C-N 3.3Å; Q91-V93 PolarHBondContact O-N 2.91Å; Q91-V94 WeakPolarHBondContact O-CB 3.38Å; Q91-V94 PolarHBondContact O-N 3.44Å; Q91-L95 HydrophobicContact CG-CD1 4.38Å; Q91-L95 WeakPolarHBondContact O-CG 3.4Å; Q91-L95 PolarHBondContact O-N 2.96Å; Q91-T125 PolarHBondContact OE1-OG1 3.31Å; Q91-V126 HydrophobicContact CB-CG2 3.91Å; Q91-V126 HydrophobicContact CG-CG2 4.37Å; Q91-D129 WeakPolarHBondContact CG-OD2 3.35Å; Q91-D129 PolarHBondContact NE2-OD2 2.94Å
92E98.3Very high96.9Very high136 Ų13641 Ų4164%0.63620%0.202SC*.Hα-helixtrans-63-36.9179.9-63.6-172.7163.100112.6L58 H90 R96L58-E92 HydrophobicContact CD2-CB 4.11Å; L58-E92 WeakPolarHBondContact CD2-OE2 3.41Å; H90-E92 PolarHBondContact O-N 3.45Å; E92-R96 WeakPolarHBondContact O-CB 3.39Å; E92-R96 PolarHBondContact O-N 2.95Å
93V98.7Very high96.6Very high3 Ų344.7 Ų44.72%0.01822%0.222CC..Hα-helixtrans-69.2-41.8175.5172.60000110.6A53 L58 V61 A85 H90 Q91 R96 L97A53-V93 HydrophobicContact CB-CG1 4.02Å; L58-V93 HydrophobicContact CB-CG2 4.33Å; L58-V93 HydrophobicContact CD1-CG2 4.36Å; V61-V93 HydrophobicContact CG1-CG1 4.47Å; V61-V93 HydrophobicContact CG2-CG1 4.03Å; V61-V93 HydrophobicContact CG2-CG2 4.32Å; A85-V93 HydrophobicContact CB-CB 4.22Å; A85-V93 HydrophobicContact CB-CG1 3.68Å; H90-V93 HydrophobicContact CB-CB 4.07Å; H90-V93 HydrophobicContact CB-CG2 4.25Å; H90-V93 WeakPolarHBondContact O-CB 3.43Å; H90-V93 PolarHBondContact O-N 3Å; H90-V93 VanDerWaalsContact O-N 3.08Å; Q91-V93 VanDerWaalsContact C-N 3.3Å; Q91-V93 PolarHBondContact O-N 2.91Å; V93-R96 PolarHBondContact O-N 2.69Å; V93-L97 HydrophobicContact CG1-CD1 3.86Å; V93-L97 HydrophobicContact CG1-CG 4.25Å; V93-L97 VanDerWaalsContact O-CG 3.3Å; V93-L97 WeakPolarHBondContact O-CG 3.35Å; V93-L97 PolarHBondContact O-N 3.08Å
94V98.7Very high96.5Very high0 Ų045.4 Ų45.40%023%0.226CC..Hα-helixtrans-56.4-52.7175.3166.60000110.5L82 A85 H90 Q91 R96 L97 L98 V126 L130L82-V94 HydrophobicContact CD1-CB 4.32Å; L82-V94 HydrophobicContact CD1-CG1 3.94Å; L82-V94 HydrophobicContact CD1-CG2 4.28Å; A85-V94 HydrophobicContact CB-CG2 3.72Å; H90-V94 PolarHBondContact O-N 3.03Å; Q91-V94 WeakPolarHBondContact O-CB 3.38Å; Q91-V94 PolarHBondContact O-N 3.44Å; V94-R96 VanDerWaalsContact C-N 3.27Å; V94-R96 PolarHBondContact O-N 3.45Å; V94-L97 PolarHBondContact O-N 2.97Å; V94-L98 HydrophobicContact CG1-CD1 3.73Å; V94-L98 HydrophobicContact CG1-CG 4.44Å; V94-L98 VanDerWaalsContact O-CG 3.28Å; V94-L98 WeakPolarHBondContact O-CG 3.49Å; V94-L98 PolarHBondContact O-N 3.4Å; V94-V126 HydrophobicContact CG1-CG1 4.31Å; V94-V126 HydrophobicContact CG2-CG1 3.95Å; V94-L130 HydrophobicContact CG1-CD2 4Å; V94-L130 HydrophobicContact CG1-CG 4.22Å
95L98.4Very high96.3Very high51 Ų5147.3 Ų47.327%0.26724%0.237SC..Hα-helixtrans-59-39.9177.5-68.7174.4000111.8Q91 L98 N99 D129Q91-L95 HydrophobicContact CG-CD1 4.38Å; Q91-L95 WeakPolarHBondContact O-CG 3.4Å; Q91-L95 PolarHBondContact O-N 2.96Å; L95-L98 PolarHBondContact O-N 3.19Å; L95-N99 WeakPolarHBondContact O-CB 3.34Å; L95-N99 VanDerWaalsContact O-CG 3.23Å; L95-N99 PolarHBondContact O-N 2.76Å; L95-N99 PolarHBondContact O-ND2 3.31Å; L95-D129 HydrophobicContact CD2-CB 3.99Å
96R98.2Very high96Very high71 Ų7148 Ų4827%0.26824%0.242SC..Hα-helixtrans-64.1-43.8178-176.259.262115.322112.8L58 V61 D62 L65 E92 V93 V94 N99 H100L58-R96 HydrophobicContact CD1-CB 3.89Å; L58-R96 HydrophobicContact CD1-CG 4.16Å; V61-R96 HydrophobicContact CG1-CG 4.06Å; D62-R96 VanDerWaalsContact OD1-CD 3.28Å; D62-R96 WeakPolarHBondContact OD1-CD 3.48Å; D62-R96 VanDerWaalsContact OD1-CG 3.28Å; D62-R96 WeakPolarHBondContact OD1-CG 3.31Å; D62-R96 IonicContact OD1-CZ 3.52Å; D62-R96 IonicContact OD1-NE 2.85Å; D62-R96 PolarHBondContact OD1-NE 3.04Å; D62-R96 VanDerWaalsContact OD1-NE 3.16Å; D62-R96 IonicContact OD1-NH1 3.21Å; D62-R96 PolarHBondContact OD1-NH1 3.04Å; D62-R96 IonicContact OD1-NH2 2.81Å; D62-R96 PolarHBondContact OD1-NH2 3.15Å; D62-R96 IonicContact OD2-CZ 3.77Å; D62-R96 IonicContact OD2-NH1 2.77Å; D62-R96 PolarHBondContact OD2-NH1 3.45Å; D62-R96 IonicContact OD2-NH2 3.11Å; D62-R96 PolarHBondContact OD2-NH2 3.34Å; L65-R96 HydrophobicContact CD1-CG 3.92Å; E92-R96 WeakPolarHBondContact O-CB 3.39Å; E92-R96 PolarHBondContact O-N 2.95Å; V93-R96 PolarHBondContact O-N 2.69Å; V94-R96 VanDerWaalsContact C-N 3.27Å; V94-R96 PolarHBondContact O-N 3.45Å; R96-N99 PolarHBondContact O-N 3.2Å; R96-H100 PolarHBondContact O-N 3.4Å; R96-H100 PolarHBondContact O-ND1 3.48Å
97L97.6Very high95.7Very high0 Ų049.3 Ų49.30%025%0.25CS..Hα-helixtrans-65-43.2177.7-70170.1000111L49 A53 V61 L65 V71 A81 L82 A85 V93 V94 N99 H100 K101 A102L49-L97 HydrophobicContact CD1-CD2 4.2Å; L49-L97 HydrophobicContact CD2-CD2 4.16Å; L49-L97 HydrophobicContact CG-CD2 4.4Å; A53-L97 HydrophobicContact CB-CD1 4.36Å; V61-L97 HydrophobicContact CG1-CD2 4.38Å; L65-L97 HydrophobicContact CD1-CD2 4.34Å; L65-L97 HydrophobicContact CD2-CD2 4.49Å; V71-L97 HydrophobicContact CG2-CD2 3.96Å; A81-L97 HydrophobicContact CB-CD1 4.04Å; A81-L97 HydrophobicContact CB-CD2 4.17Å; L82-L97 HydrophobicContact CB-CD1 4.28Å; L82-L97 HydrophobicContact CD1-CB 4.21Å; L82-L97 HydrophobicContact CD1-CD1 4.31Å; A85-L97 HydrophobicContact CB-CD1 4.19Å; V93-L97 HydrophobicContact CG1-CD1 3.86Å; V93-L97 HydrophobicContact CG1-CG 4.25Å; V93-L97 VanDerWaalsContact O-CG 3.3Å; V93-L97 WeakPolarHBondContact O-CG 3.35Å; V93-L97 PolarHBondContact O-N 3.08Å; V94-L97 PolarHBondContact O-N 2.97Å; L97-N99 PolarHBondContact O-N 2.85Å; L97-H100 CarbonylContact O-C 3.56Å; L97-H100 WeakPolarHBondContact O-CA 3.26Å; L97-H100 PolarHBondContact O-N 3.13Å; L97-K101 PolarHBondContact O-N 3.14Å; L97-A102 HydrophobicContact CB-CB 3.99Å; L97-A102 VanDerWaalsContact O-CB 3.24Å; L97-A102 WeakPolarHBondContact O-CB 3.27Å; L97-A102 PolarHBondContact O-N 2.92Å
98L96.7Very high95.5Very high18 Ų1848.8 Ų48.89%0.09425%0.245CC..Hα-helixtrans-61.4-42.2176.2-67.7167000111.9L82 V94 L95 H100 K101 V104 L130 H133L82-L98 HydrophobicContact CD1-CD2 4.39Å; L82-L98 HydrophobicContact CD1-CG 4.27Å; L82-L98 HydrophobicContact CD2-CD2 3.86Å; V94-L98 HydrophobicContact CG1-CD1 3.73Å; V94-L98 HydrophobicContact CG1-CG 4.44Å; V94-L98 VanDerWaalsContact O-CG 3.28Å; V94-L98 WeakPolarHBondContact O-CG 3.49Å; V94-L98 PolarHBondContact O-N 3.4Å; L95-L98 PolarHBondContact O-N 3.19Å; L98-H100 PolarHBondContact O-N 2.95Å; L98-K101 PolarHBondContact O-N 3.34Å; L98-V104 HydrophobicContact CD2-CB 3.91Å; L98-V104 HydrophobicContact CD2-CG2 3.86Å; L98-L130 HydrophobicContact CD1-CD2 4.22Å; L98-L130 HydrophobicContact CD2-CD2 4.39Å; L98-H133 HydrophobicContact CD1-CB 3.93Å; L98-H133 HydrophobicContact CD2-CB 4.12Å; L98-H133 HydrophobicContact CG-CB 4.45Å
99N94.8Very high95.1Very high114 Ų11449.3 Ų49.361%0.6125%0.248SC*.Hα-helixtrans-62.7-20.6173.7-73.4-26.6000113.5L95 R96 L97L95-N99 WeakPolarHBondContact O-CB 3.34Å; L95-N99 VanDerWaalsContact O-CG 3.23Å; L95-N99 PolarHBondContact O-N 2.76Å; L95-N99 PolarHBondContact O-ND2 3.31Å; R96-N99 PolarHBondContact O-N 3.2Å; L97-N99 PolarHBondContact O-N 2.85Å
100H92Very high94.9Very high75 Ų7551.5 Ų51.535%0.34725%0.252SS..THydrogen-bonded Turntrans-100.926.6173.7-70.474000112.5L65 V71 R96 L97 L98 A102L65-H100 HydrophobicContact CD1-CB 4.22Å; L65-H100 HydrophobicContact CD2-CB 4.24Å; V71-H100 WeakPolarHBondContact CG1-O 3.27Å; V71-H100 HydrophobicContact CG2-CB 4.42Å; R96-H100 PolarHBondContact O-N 3.4Å; R96-H100 PolarHBondContact O-ND1 3.48Å; L97-H100 CarbonylContact O-C 3.56Å; L97-H100 WeakPolarHBondContact O-CA 3.26Å; L97-H100 PolarHBondContact O-N 3.13Å; L98-H100 PolarHBondContact O-N 2.95Å; H100-A102 VanDerWaalsContact C-N 3.33Å; H100-A102 PolarHBondContact O-N 3.27Å
101K88.9Confident94.7Very high131 Ų13148.8 Ų48.857%0.5724%0.24SC*.THydrogen-bonded Turntrans6234.1174.8-51.8-179.9179179.60114.4N72 L97 L98 D103N72-K101 PolarHBondContact ND2-O 3.13Å; L97-K101 PolarHBondContact O-N 3.14Å; L98-K101 PolarHBondContact O-N 3.34Å; K101-D103 PolarHBondContact O-N 3.07Å
102A91.5Very high94.6Very high9 Ų946.5 Ų46.57%0.07423%0.229CC..  trans-57132.9164.700000110.2V71 N72 L82 L97 H100 V104V71-A102 HydrophobicContact CG2-CB 3.72Å; N72-A102 WeakPolarHBondContact OD1-CA 3.43Å; L82-A102 HydrophobicContact CB-CB 4.3Å; L82-A102 HydrophobicContact CD2-CB 3.89Å; L97-A102 HydrophobicContact CB-CB 3.99Å; L97-A102 VanDerWaalsContact O-CB 3.24Å; L97-A102 WeakPolarHBondContact O-CB 3.27Å; L97-A102 PolarHBondContact O-N 2.92Å; H100-A102 VanDerWaalsContact C-N 3.33Å; H100-A102 PolarHBondContact O-N 3.27Å; A102-V104 PolarHBondContact O-N 3.13Å
103D91Very high94.6Very high80 Ų8040 Ų4043%0.42820%0.199SC..  trans-68.1102.6174.61797.1000109.4N72 K101 N105 A106N72-D103 PolarHBondContact OD1-N 2.86Å; K101-D103 PolarHBondContact O-N 3.07Å; D103-N105 PolarHBondContact O-N 3.13Å; D103-N105 PolarHBondContact OD1-N 3.37Å; D103-A106 HydrophobicContact CB-CB 4.04Å; D103-A106 WeakPolarHBondContact O-CB 3.39Å; D103-A106 PolarHBondContact O-N 2.98Å; D103-A106 PolarHBondContact OD1-N 3.22Å; D103-A106 PolarHBondContact OD2-N 2.89Å
104V95.9Very high94.5Very high16 Ų1639.9 Ų39.910%0.09720%0.198CC..THydrogen-bonded Turntrans-62.6-24.2-178.872.20000112.7L98 A102 L130 A135L98-V104 HydrophobicContact CD2-CB 3.91Å; L98-V104 HydrophobicContact CD2-CG2 3.86Å; A102-V104 PolarHBondContact O-N 3.13Å; V104-L130 HydrophobicContact CG2-CB 4.46Å; V104-L130 HydrophobicContact CG2-CD2 3.87Å; V104-A135 HydrophobicContact CG2-CB 3.63Å
105N94.8Very high94.5Very high54 Ų5439.9 Ų39.929%0.28920%0.198SC..THydrogen-bonded Turntrans-108.413.4-178.9-69.2-53.9000112.6D103 G134 A135 S136D103-N105 PolarHBondContact O-N 3.13Å; D103-N105 PolarHBondContact OD1-N 3.37Å; N105-G134 PolarHBondContact ND2-O 3.45Å; N105-A135 WeakPolarHBondContact OD1-CA 3.16Å; N105-S136 PolarHBondContact OD1-N 2.81Å
106A91.5Very high94.5Very high14 Ų1437.6 Ų37.612%0.11619%0.186CC..  trans-54142.8171.700000109.8T80 H83 D103 S113 P114T80-A106 HydrophobicContact CG2-CB 4.16Å; H83-A106 PolarHBondContact CE1-O 2.91Å; H83-A106 PolarHBondContact NE2-O 3.25Å; D103-A106 HydrophobicContact CB-CB 4.04Å; D103-A106 WeakPolarHBondContact O-CB 3.39Å; D103-A106 PolarHBondContact O-N 2.98Å; D103-A106 PolarHBondContact OD1-N 3.22Å; D103-A106 PolarHBondContact OD2-N 2.89Å; A106-S113 VanDerWaalsContact O-CA 3.27Å; A106-S113 WeakPolarHBondContact O-CA 3.37Å; A106-S113 WeakPolarHBondContact O-CB 3.46Å; A106-P114 WeakPolarHBondContact O-CD 3.42Å
107V93.3Very high94.4Very high27 Ų2736.4 Ų36.416%0.16418%0.182CC..  trans-123.9134.2179.2-67.40000111.2N112 L139 Y176V107-N112 WeakPolarHBondContact CA-O 3.46Å; V107-L139 HydrophobicContact CG1-CD2 3.66Å; V107-L139 HydrophobicContact CG1-CG 4.45Å; V107-Y176 HydrophobicContact CG2-CE2 4.4Å
108N92.4Very high94.4Very high2 Ų236.4 Ų36.41%0.01118%0.182CC..  trans-80.4-171.9177.577.42000112.7G77 D78 D79 H110 G111 N112 Y117G77-N108 WeakPolarHBondContact O-CB 3.26Å; D78-N108 HydrophobicContact CB-CB 4.42Å; D78-N108 WeakPolarHBondContact O-CA 3.32Å; D79-N108 VanDerWaalsContact OD1-CB 3.27Å; D79-N108 WeakPolarHBondContact OD1-CB 3.4Å; D79-N108 PolarHBondContact OD1-ND2 3.49Å; N108-H110 PolarHBondContact O-N 3.36Å; N108-H110 VanDerWaalsContact O-N 3.09Å; N108-H110 WeakPolarHBondContact OD1-CA 3.46Å; N108-H110 PolarHBondContact OD1-N 3.26Å; N108-G111 PolarHBondContact O-N 3.06Å; N108-G111 PolarHBondContact OD1-N 3.42Å; N108-N112 PolarHBondContact N-O 3.08Å; N108-N112 PolarHBondContact OD1-N 2.98Å; N108-N112 PolarHBondContact OD1-O 3.45Å; N108-Y117 WeakPolarHBondContact ND2-CE2 3.35Å; N108-Y117 PolarHBondContact ND2-OH 2.95Å
109E90.7Very high94.4Very high84 Ų8435.6 Ų35.639%0.39318%0.178SC..THydrogen-bonded Turntrans-65.5-14-17774177.3145.400113.7G77 R142G77-E109 WeakPolarHBondContact CA-OE1 3.5Å; G77-E109 WeakPolarHBondContact O-CB 3.27Å; G77-E109 WeakPolarHBondContact O-CG 3.46Å; G77-E109 PolarHBondContact O-N 2.88Å; E109-R142 WeakPolarHBondContact O-CD 3.37Å; E109-R142 PolarHBondContact O-NE 3.19Å; E109-R142 PolarHBondContact O-NH1 2.89Å; E109-R142 PolarHBondContact O-NH2 3.08Å; E109-R142 VanDerWaalsContact O-NH2 3.08Å
110H93.3Very high94.5Very high70 Ų7035.2 Ų35.232%0.32417%0.171SC..THydrogen-bonded Turntrans-100.22.2174.5-59.7-57.6000112.6N108 N112 R142N108-H110 PolarHBondContact O-N 3.36Å; N108-H110 VanDerWaalsContact O-N 3.09Å; N108-H110 WeakPolarHBondContact OD1-CA 3.46Å; N108-H110 PolarHBondContact OD1-N 3.26Å; H110-N112 PolarHBondContact O-N 3.29Å; H110-R142 WeakPolarHBondContact O-CB 3.34Å; H110-R142 WeakPolarHBondContact O-CG 3.44Å; H110-R142 PolarHBondContact O-N 2.88Å
111G93.9Very high94.6Very high0 Ų037.6 Ų37.60%018%0.177CC..SBendtrans75.48-17400000113.8N108 N141 Y176N108-G111 PolarHBondContact O-N 3.06Å; N108-G111 PolarHBondContact OD1-N 3.42Å; G111-N141 WeakPolarHBondContact O-CA 3.26Å; G111-N141 WeakPolarHBondContact O-CB 3.48Å; G111-Y176 VanDerWaalsContact CA-CE2 3.41Å
112N96.8Very high95Very high21 Ų2132.4 Ų32.411%0.11216%0.161CC..  trans-78.7138.1177-66.1-46.9000109.1H83 V107 N108 H110 H116 Y117 N141H83-N112 PolarHBondContact NE2-O 3.14Å; H83-N112 VanDerWaalsContact NE2-O 3.13Å; V107-N112 WeakPolarHBondContact CA-O 3.46Å; N108-N112 PolarHBondContact N-O 3.08Å; N108-N112 PolarHBondContact OD1-N 2.98Å; N108-N112 PolarHBondContact OD1-O 3.45Å; H110-N112 PolarHBondContact O-N 3.29Å; N112-H116 HydrophobicContact CB-CB 3.91Å; N112-Y117 HydrophobicContact CB-CE2 4.29Å; N112-N141 WeakPolarHBondContact OD1-CB 3.37Å; N112-N141 PolarHBondContact OD1-ND2 2.87Å
113S96.9Very high95.2Very high0 Ų036 Ų360%017%0.173CC..  trans-96.4170.3171.468.90000111.4A106 L115 H116 Y117A106-S113 VanDerWaalsContact O-CA 3.27Å; A106-S113 WeakPolarHBondContact O-CA 3.37Å; A106-S113 WeakPolarHBondContact O-CB 3.46Å; S113-L115 PolarHBondContact O-N 3.05Å; S113-L115 VanDerWaalsContact O-N 3.14Å; S113-H116 PolarHBondContact N-ND1 3.24Å; S113-H116 WeakPolarHBondContact O-CB 3.46Å; S113-H116 PolarHBondContact O-N 3.23Å; S113-H116 PolarHBondContact OG-ND1 2.98Å; S113-Y117 PolarHBondContact O-N 3.3Å
114P98Very high95.5Very high0 Ų035.9 Ų35.90%017%0.17CC..Hα-helixtrans-53.5-35.4173.6-27.135.5000113L82 S86 A106 Y117 A118 L130L82-P114 HydrophobicContact CB-CG 4.21Å; L82-P114 HydrophobicContact CD2-CB 4.23Å; L82-P114 HydrophobicContact CD2-CG 3.81Å; L82-P114 HydrophobicContact CG-CB 3.87Å; L82-P114 HydrophobicContact CG-CG 3.73Å; S86-P114 WeakPolarHBondContact CB-O 3.34Å; A106-P114 WeakPolarHBondContact O-CD 3.42Å; P114-Y117 PolarHBondContact O-N 3.44Å; P114-A118 PolarHBondContact O-N 2.93Å; P114-L130 HydrophobicContact CB-CD1 4.17Å; P114-L130 HydrophobicContact CB-CD2 4.16Å
115L97.9Very high95.5Very high0 Ų038.4 Ų38.40%019%0.185CC..Hα-helixtrans-66.5-37.4176.7-174.760.9000112.3S113 Y117 A118 C119 A127 L130 I131 A135 V137 P147S113-L115 PolarHBondContact O-N 3.05Å; S113-L115 VanDerWaalsContact O-N 3.14Å; L115-Y117 VanDerWaalsContact C-N 3.28Å; L115-Y117 PolarHBondContact O-N 2.93Å; L115-A118 PolarHBondContact O-N 3.09Å; L115-C119 VanDerWaalsContact O-CB 3.31Å; L115-C119 WeakPolarHBondContact O-CB 3.4Å; L115-C119 PolarHBondContact O-N 3.04Å; L115-C119 PolarHBondContact O-SG 3.05Å; L115-A127 HydrophobicContact CD1-CB 3.74Å; L115-A127 WeakPolarHBondContact CD1-O 3.35Å; L115-L130 HydrophobicContact CB-CD1 4.3Å; L115-L130 HydrophobicContact CD1-CB 4.18Å; L115-L130 HydrophobicContact CD1-CD1 4.3Å; L115-I131 HydrophobicContact CD1-CD1 4.24Å; L115-I131 HydrophobicContact CD1-CG1 4.08Å; L115-I131 HydrophobicContact CD2-CD1 4.28Å; L115-I131 HydrophobicContact CD2-CG1 3.84Å; L115-A135 HydrophobicContact CB-CB 4.12Å; L115-A135 HydrophobicContact CD2-CB 3.79Å; L115-A135 HydrophobicContact CG-CB 4.43Å; L115-V137 HydrophobicContact CD2-CG1 4.02Å; L115-P147 HydrophobicContact CB-CB 4.35Å; L115-P147 HydrophobicContact CB-CG 4.24Å; L115-P147 HydrophobicContact CD2-CB 3.95Å; L115-P147 HydrophobicContact CD2-CG 3.88Å; L115-P147 HydrophobicContact CG-CB 3.69Å; L115-P147 HydrophobicContact CG-CG 3.94Å
116H97.7Very high95.7Very high3 Ų335.9 Ų35.91%0.01417%0.172CC..Hα-helixtrans-58.5-42.3173.5-72.784000111.5N112 S113 F120 L139 E145 P147N112-H116 HydrophobicContact CB-CB 3.91Å; S113-H116 PolarHBondContact N-ND1 3.24Å; S113-H116 WeakPolarHBondContact O-CB 3.46Å; S113-H116 PolarHBondContact O-N 3.23Å; S113-H116 PolarHBondContact OG-ND1 2.98Å; H116-F120 VanDerWaalsContact O-CB 3.24Å; H116-F120 WeakPolarHBondContact O-CB 3.33Å; H116-F120 PolarHBondContact O-N 2.93Å; H116-L139 PolarHBondContact CE1-O 3.37Å; H116-L139 PolarHBondContact NE2-O 3.26Å; H116-E145 PolarHBondContact NE2-O 3.21Å; H116-P147 WeakPolarHBondContact NE2-CD 3.38Å
117Y97.4Very high95.9Very high47 Ų4735.2 Ų35.218%0.18417%0.166CC..Hα-helixtrans-65.8-47.9177.1-80.2-65.2000112.4H83 A87 N108 N112 S113 P114 L115 C119 F120 W121H83-Y117 HydrophobicContact CB-CD2 4.15Å; H83-Y117 HydrophobicContact CB-CE2 4.21Å; H83-Y117 AromaticContact CD2-CD2 3.82Å; H83-Y117 AromaticContact CD2-CE2 3.74Å; A87-Y117 HydrophobicContact CB-CD1 3.87Å; A87-Y117 HydrophobicContact CB-CG 3.95Å; N108-Y117 WeakPolarHBondContact ND2-CE2 3.35Å; N108-Y117 PolarHBondContact ND2-OH 2.95Å; N112-Y117 HydrophobicContact CB-CE2 4.29Å; S113-Y117 PolarHBondContact O-N 3.3Å; P114-Y117 PolarHBondContact O-N 3.44Å; L115-Y117 VanDerWaalsContact C-N 3.28Å; L115-Y117 PolarHBondContact O-N 2.93Å; Y117-C119 VanDerWaalsContact C-N 3.3Å; Y117-C119 PolarHBondContact O-N 3.33Å; Y117-F120 PolarHBondContact O-N 3.45Å; Y117-W121 VanDerWaalsContact O-CD1 3.22Å; Y117-W121 PolarHBondContact O-N 2.98Å
118A97.4Very high96.1Very high0 Ų035.4 Ų35.40%017%0.166CC..Hα-helixtrans-57.8-44.5177.900000111.5P114 L115 G122 Y123 V126 A127 L130P114-A118 PolarHBondContact O-N 2.93Å; L115-A118 PolarHBondContact O-N 3.09Å; A118-G122 PolarHBondContact O-N 3.08Å; A118-Y123 PolarHBondContact O-N 3.07Å; A118-V126 HydrophobicContact CB-CB 4.31Å; A118-V126 HydrophobicContact CB-CG1 3.86Å; A118-A127 HydrophobicContact CB-CB 3.95Å; A118-L130 HydrophobicContact CB-CD1 4.01Å
119C96.7Very high96.4Very high0 Ų036.2 Ų36.20%017%0.17CC..Hα-helixtrans-63.7-47.2176.6-70.70000113.3L115 Y117 W121 G122 P147 K150 C151 I159L115-C119 VanDerWaalsContact O-CB 3.31Å; L115-C119 WeakPolarHBondContact O-CB 3.4Å; L115-C119 PolarHBondContact O-N 3.04Å; L115-C119 PolarHBondContact O-SG 3.05Å; Y117-C119 VanDerWaalsContact C-N 3.3Å; Y117-C119 PolarHBondContact O-N 3.33Å; C119-W121 PolarHBondContact O-N 3.11Å; C119-G122 PolarHBondContact O-N 3.01Å; C119-P147 HydrophobicContact CB-CB 4.39Å; C119-P147 WeakPolarHBondContact CB-O 3.45Å; C119-P147 PolarHBondContact SG-O 3.07Å; C119-K150 HydrophobicContact CB-CB 4.43Å; C119-C151 WeakPolarHBondContact CB-SG 3.39Å; C119-C151 PolarHBondContact SG-SG 3.18Å; C119-I159 VanDerWaalsContact SG-CD1 3.56Å
120F95.8Very high96.7Very high106 Ų10632.2 Ų32.247%0.46515%0.151SC..Hα-helixtrans-61.5-43.2-178.7179.2-97000112.3H116 Y117 G122 K150H116-F120 VanDerWaalsContact O-CB 3.24Å; H116-F120 WeakPolarHBondContact O-CB 3.33Å; H116-F120 PolarHBondContact O-N 2.93Å; Y117-F120 PolarHBondContact O-N 3.45Å; F120-G122 VanDerWaalsContact C-N 3.33Å; F120-K150 WeakPolarHBondContact CA-O 3.39Å; F120-K150 HydrophobicContact CB-CB 4.22Å; F120-K150 HydrophobicContact CD2-CD 4.23Å
121W95.8Very high96.9Very high126 Ų12629 Ų2948%0.47714%0.136SC..Hα-helixtrans-82.7-10.4179-67.8111.4000113.6Y117 C119 Y123Y117-W121 VanDerWaalsContact O-CD1 3.22Å; Y117-W121 PolarHBondContact O-N 2.98Å; C119-W121 PolarHBondContact O-N 3.11Å; W121-Y123 HydrophobicContact CB-CD2 3.61Å; W121-Y123 HydrophobicContact CB-CE2 3.34Å; W121-Y123 HydrophobicContact CG-CE2 4.06Å
122G95.6Very high97Very high22 Ų2235 Ų3523%0.22716%0.159CC..THydrogen-bonded Turntrans79.426.1176.800000114.3A118 C119 F120 E124A118-G122 PolarHBondContact O-N 3.08Å; C119-G122 PolarHBondContact O-N 3.01Å; F120-G122 VanDerWaalsContact C-N 3.33Å; G122-E124 VanDerWaalsContact C-N 3.33Å; G122-E124 PolarHBondContact O-N 2.88Å
123Y96.8Very high97Very high84 Ų8437.9 Ų37.933%0.32917%0.171SC..  trans-81.879.9175.2-60.3-57.5000110.5S86 A87 A118 W121 T125 V126 A127S86-Y123 VanDerWaalsContact O-CD2 3.29Å; S86-Y123 WeakPolarHBondContact O-CD2 3.4Å; A87-Y123 WeakPolarHBondContact O-CE2 3.38Å; A118-Y123 PolarHBondContact O-N 3.07Å; W121-Y123 HydrophobicContact CB-CD2 3.61Å; W121-Y123 HydrophobicContact CB-CE2 3.34Å; W121-Y123 HydrophobicContact CG-CE2 4.06Å; Y123-T125 PolarHBondContact O-N 2.96Å; Y123-V126 PolarHBondContact O-N 3.21Å; Y123-A127 PolarHBondContact O-N 3.12Å
124E96.2Very high97Very high77 Ų7739.8 Ų39.836%0.3619%0.191SC..Hα-helixtrans-51.8-53.9-175.3-174.1175.6175.100112.9G122 V126 A127 E128 V155 S158G122-E124 VanDerWaalsContact C-N 3.33Å; G122-E124 PolarHBondContact O-N 2.88Å; E124-V126 VanDerWaalsContact C-N 3.31Å; E124-V126 PolarHBondContact O-N 2.92Å; E124-A127 WeakPolarHBondContact O-CB 3.35Å; E124-A127 PolarHBondContact O-N 3.11Å; E124-A127 VanDerWaalsContact O-N 3.09Å; E124-E128 WeakPolarHBondContact O-CG 3.38Å; E124-E128 PolarHBondContact O-N 2.77Å; E124-V155 HydrophobicContact CB-CG1 3.95Å; E124-V155 HydrophobicContact CG-CG1 4.17Å; E124-S158 WeakPolarHBondContact OE1-CB 3.43Å; E124-S158 PolarHBondContact OE1-OG 3.21Å
125T96.7Very high96.9Very high70 Ų7039.8 Ų39.843%0.42919%0.191SC..Hα-helixtrans-61.5-39-177.358.60000112.8Q91 Y123 D129Q91-T125 PolarHBondContact OE1-OG1 3.31Å; Y123-T125 PolarHBondContact O-N 2.96Å; T125-D129 WeakPolarHBondContact O-CB 3.18Å; T125-D129 VanDerWaalsContact O-CG 3.32Å; T125-D129 PolarHBondContact O-N 2.85Å
126V97.9Very high96.8Very high1 Ų141.3 Ų41.31%0.00620%0.202CC..Hα-helixtrans-65.2-43.7175.5174.90000111Q91 V94 A118 Y123 E124 D129 L130Q91-V126 HydrophobicContact CB-CG2 3.91Å; Q91-V126 HydrophobicContact CG-CG2 4.37Å; V94-V126 HydrophobicContact CG1-CG1 4.31Å; V94-V126 HydrophobicContact CG2-CG1 3.95Å; A118-V126 HydrophobicContact CB-CB 4.31Å; A118-V126 HydrophobicContact CB-CG1 3.86Å; Y123-V126 PolarHBondContact O-N 3.21Å; E124-V126 VanDerWaalsContact C-N 3.31Å; E124-V126 PolarHBondContact O-N 2.92Å; V126-D129 PolarHBondContact O-N 3.01Å; V126-L130 HydrophobicContact CG1-CD1 3.99Å; V126-L130 HydrophobicContact CG1-CG 4.43Å; V126-L130 WeakPolarHBondContact O-CB 3.43Å; V126-L130 VanDerWaalsContact O-CG 3.26Å; V126-L130 WeakPolarHBondContact O-CG 3.46Å; V126-L130 PolarHBondContact O-N 3.26Å
127A97.5Very high96.7Very high0 Ų041.3 Ų41.30%020%0.202CC..Hα-helixtrans-63.8-43.517900000111.7L115 A118 Y123 E124 L130 I131 I159L115-A127 HydrophobicContact CD1-CB 3.74Å; L115-A127 WeakPolarHBondContact CD1-O 3.35Å; A118-A127 HydrophobicContact CB-CB 3.95Å; Y123-A127 PolarHBondContact O-N 3.12Å; E124-A127 WeakPolarHBondContact O-CB 3.35Å; E124-A127 PolarHBondContact O-N 3.11Å; E124-A127 VanDerWaalsContact O-N 3.09Å; A127-L130 PolarHBondContact O-N 3.45Å; A127-I131 WeakPolarHBondContact O-CG1 3.28Å; A127-I131 PolarHBondContact O-N 2.9Å; A127-I131 VanDerWaalsContact O-N 3.08Å; A127-I159 HydrophobicContact CB-CD1 3.47Å; A127-I159 VanDerWaalsContact CB-CD1 3.47Å; A127-I159 HydrophobicContact CB-CG1 4.03Å
128E96.9Very high96.5Very high31 Ų3139.2 Ų39.215%0.14520%0.195CC..Hα-helixtrans-60.8-45174.9-65.3-178-167.200112.1E124 I131 R132 S158 V162E124-E128 WeakPolarHBondContact O-CG 3.38Å; E124-E128 PolarHBondContact O-N 2.77Å; E128-I131 PolarHBondContact O-N 3.46Å; E128-R132 VanDerWaalsContact CB-NH1 3.34Å; E128-R132 WeakPolarHBondContact O-CG 3.28Å; E128-R132 PolarHBondContact O-N 3.22Å; E128-R132 IonicContact OE2-CZ 3.12Å; E128-R132 IonicContact OE2-NH1 3.45Å; E128-R132 PolarHBondContact OE2-NH1 3.32Å; E128-R132 IonicContact OE2-NH2 3.07Å; E128-R132 PolarHBondContact OE2-NH2 3.46Å; E128-S158 PolarHBondContact OE1-OG 3.45Å; E128-S158 VanDerWaalsContact OE1-OG 3.09Å; E128-V162 HydrophobicContact CB-CG1 4.31Å; E128-V162 HydrophobicContact CB-CG2 4.45Å; E128-V162 HydrophobicContact CG-CB 4.43Å; E128-V162 HydrophobicContact CG-CG2 3.87Å
129D97.5Very high96.4Very high18 Ų1840.2 Ų40.210%0.09620%0.2CC..Hα-helixtrans-64.6-41.5180-75.4-15.2000111.7Q91 L95 T125 V126 I131 R132 H133Q91-D129 WeakPolarHBondContact CG-OD2 3.35Å; Q91-D129 PolarHBondContact NE2-OD2 2.94Å; L95-D129 HydrophobicContact CD2-CB 3.99Å; T125-D129 WeakPolarHBondContact O-CB 3.18Å; T125-D129 VanDerWaalsContact O-CG 3.32Å; T125-D129 PolarHBondContact O-N 2.85Å; V126-D129 PolarHBondContact O-N 3.01Å; D129-I131 VanDerWaalsContact C-N 3.32Å; D129-I131 PolarHBondContact O-N 3.38Å; D129-R132 PolarHBondContact O-N 3.16Å; D129-R132 IonicContact OD1-NH1 3.5Å; D129-R132 PolarHBondContact OD1-NH1 2.98Å; D129-R132 VanDerWaalsContact OD1-NH1 3.12Å; D129-H133 PolarHBondContact O-N 2.75Å; D129-H133 PolarHBondContact O-ND1 3.22Å
130L98Very high96.3Very high0 Ų040.6 Ų40.60%020%0.203CC..Hα-helixtrans-57.4-45.1173-73.8168.3000111.3L82 V94 L98 V104 P114 L115 A118 V126 A127 H133 G134 A135L82-L130 HydrophobicContact CD1-CD2 4.16Å; L82-L130 HydrophobicContact CD2-CD2 4.24Å; L82-L130 HydrophobicContact CG-CD2 4.39Å; V94-L130 HydrophobicContact CG1-CD2 4Å; V94-L130 HydrophobicContact CG1-CG 4.22Å; L98-L130 HydrophobicContact CD1-CD2 4.22Å; L98-L130 HydrophobicContact CD2-CD2 4.39Å; V104-L130 HydrophobicContact CG2-CB 4.46Å; V104-L130 HydrophobicContact CG2-CD2 3.87Å; P114-L130 HydrophobicContact CB-CD1 4.17Å; P114-L130 HydrophobicContact CB-CD2 4.16Å; L115-L130 HydrophobicContact CB-CD1 4.3Å; L115-L130 HydrophobicContact CD1-CB 4.18Å; L115-L130 HydrophobicContact CD1-CD1 4.3Å; A118-L130 HydrophobicContact CB-CD1 4.01Å; V126-L130 HydrophobicContact CG1-CD1 3.99Å; V126-L130 HydrophobicContact CG1-CG 4.43Å; V126-L130 WeakPolarHBondContact O-CB 3.43Å; V126-L130 VanDerWaalsContact O-CG 3.26Å; V126-L130 WeakPolarHBondContact O-CG 3.46Å; V126-L130 PolarHBondContact O-N 3.26Å; A127-L130 PolarHBondContact O-N 3.45Å; L130-H133 CarbonylContact O-C 3.34Å; L130-H133 PolarHBondContact O-N 3.06Å; L130-H133 VanDerWaalsContact O-N 3.14Å; L130-G134 PolarHBondContact O-N 3.42Å; L130-A135 VanDerWaalsContact C-CB 3.41Å; L130-A135 HydrophobicContact CB-CB 3.87Å; L130-A135 WeakPolarHBondContact O-CB 3.42Å; L130-A135 PolarHBondContact O-N 3.29Å
131I97.3Very high96.3Very high3 Ų335.7 Ų35.72%0.01518%0.181CC..Hα-helixtrans-62.7-44.6178.1-71.4167000111.4L115 A127 E128 D129 H133 G134 V137 I159 V162 A163 C166L115-I131 HydrophobicContact CD1-CD1 4.24Å; L115-I131 HydrophobicContact CD1-CG1 4.08Å; L115-I131 HydrophobicContact CD2-CD1 4.28Å; L115-I131 HydrophobicContact CD2-CG1 3.84Å; A127-I131 WeakPolarHBondContact O-CG1 3.28Å; A127-I131 PolarHBondContact O-N 2.9Å; A127-I131 VanDerWaalsContact O-N 3.08Å; E128-I131 PolarHBondContact O-N 3.46Å; D129-I131 VanDerWaalsContact C-N 3.32Å; D129-I131 PolarHBondContact O-N 3.38Å; I131-H133 PolarHBondContact O-N 3.14Å; I131-G134 PolarHBondContact O-N 3.29Å; I131-V137 HydrophobicContact CD1-CG1 3.76Å; I131-V137 HydrophobicContact CG1-CG1 4.03Å; I131-I159 HydrophobicContact CD1-CG2 3.5Å; I131-V162 HydrophobicContact CB-CG1 4.36Å; I131-V162 HydrophobicContact CG2-CG1 3.96Å; I131-A163 HydrophobicContact CD1-CB 4.43Å; I131-A163 HydrophobicContact CG2-CB 4.48Å; I131-C166 HydrophobicContact CG2-CB 4.04Å
132R96.8Very high96.3Very high127 Ų12735.2 Ų35.248%0.47918%0.18SC..Hα-helixtrans-60.6-26.9175.9-70.2175.5-173.1115.69.2112.5E128 D129 V162E128-R132 VanDerWaalsContact CB-NH1 3.34Å; E128-R132 WeakPolarHBondContact O-CG 3.28Å; E128-R132 PolarHBondContact O-N 3.22Å; E128-R132 IonicContact OE2-CZ 3.12Å; E128-R132 IonicContact OE2-NH1 3.45Å; E128-R132 PolarHBondContact OE2-NH1 3.32Å; E128-R132 IonicContact OE2-NH2 3.07Å; E128-R132 PolarHBondContact OE2-NH2 3.46Å; D129-R132 PolarHBondContact O-N 3.16Å; D129-R132 IonicContact OD1-NH1 3.5Å; D129-R132 PolarHBondContact OD1-NH1 2.98Å; D129-R132 VanDerWaalsContact OD1-NH1 3.12Å; R132-V162 HydrophobicContact CG-CG1 4.38Å
133H96.8Very high96.2Very high80 Ų8041.5 Ų41.537%0.3720%0.197SC..THydrogen-bonded Turntrans-93.713.6174.6-66.878.9000113.7L98 D129 L130 I131L98-H133 HydrophobicContact CD1-CB 3.93Å; L98-H133 HydrophobicContact CD2-CB 4.12Å; L98-H133 HydrophobicContact CG-CB 4.45Å; D129-H133 PolarHBondContact O-N 2.75Å; D129-H133 PolarHBondContact O-ND1 3.22Å; L130-H133 CarbonylContact O-C 3.34Å; L130-H133 PolarHBondContact O-N 3.06Å; L130-H133 VanDerWaalsContact O-N 3.14Å; I131-H133 PolarHBondContact O-N 3.14Å
134G95.2Very high96.1Very high41 Ų4139.3 Ų39.342%0.42320%0.201SC..THydrogen-bonded Turntrans94.915.2171.600000115.8N105 L130 I131 S136N105-G134 PolarHBondContact ND2-O 3.45Å; L130-G134 PolarHBondContact O-N 3.42Å; I131-G134 PolarHBondContact O-N 3.29Å; G134-S136 PolarHBondContact O-N 3.42Å
135A96.6Very high96Very high0 Ų038.3 Ų38.30%020%0.196CC..  trans-62.1128.6171.100000111V104 N105 L115 L130 Q168V104-A135 HydrophobicContact CG2-CB 3.63Å; N105-A135 WeakPolarHBondContact OD1-CA 3.16Å; L115-A135 HydrophobicContact CB-CB 4.12Å; L115-A135 HydrophobicContact CD2-CB 3.79Å; L115-A135 HydrophobicContact CG-CB 4.43Å; L130-A135 VanDerWaalsContact C-CB 3.41Å; L130-A135 HydrophobicContact CB-CB 3.87Å; L130-A135 WeakPolarHBondContact O-CB 3.42Å; L130-A135 PolarHBondContact O-N 3.29Å; A135-Q168 PolarHBondContact O-NE2 3.17Å; A135-Q168 PolarHBondContact O-OE1 2.96Å
136S95.5Very high96Very high31 Ų3135.4 Ų35.422%0.21718%0.178CC..  trans-83.1120.3179.8-1740000111.8N105 G134 G138N105-S136 PolarHBondContact OD1-N 2.81Å; G134-S136 PolarHBondContact O-N 3.42Å; S136-G138 PolarHBondContact O-N 2.89Å; S136-G138 PolarHBondContact OG-N 3.32Å
137V95.6Very high95.9Very high3 Ų335.4 Ų35.42%0.01818%0.178CC..THydrogen-bonded Turntrans-73.9-14.8172.5-56.30000113L115 I131 T146 P147 L148 A163 Q168 L170L115-V137 HydrophobicContact CD2-CG1 4.02Å; I131-V137 HydrophobicContact CD1-CG1 3.76Å; I131-V137 HydrophobicContact CG1-CG1 4.03Å; V137-T146 WeakPolarHBondContact O-CB 3.21Å; V137-P147 WeakPolarHBondContact O-CD 3.29Å; V137-L148 HydrophobicContact CB-CD1 4.12Å; V137-L148 HydrophobicContact CB-CG 4.34Å; V137-L148 HydrophobicContact CG2-CD1 4.25Å; V137-A163 HydrophobicContact CG1-CB 3.71Å; V137-A163 HydrophobicContact CG2-CB 4.15Å; V137-Q168 HydrophobicContact CG2-CB 4.14Å; V137-L170 HydrophobicContact CG2-CD2 4.16Å
138G94.5Very high95.7Very high4 Ų436.7 Ų36.74%0.04119%0.185CC..THydrogen-bonded Turntrans-90-6.8179.700000114.1S136 C140 Y172 R173 L174S136-G138 PolarHBondContact O-N 2.89Å; S136-G138 PolarHBondContact OG-N 3.32Å; G138-C140 PolarHBondContact O-N 3.46Å; G138-Y172 WeakPolarHBondContact CA-O 3.42Å; G138-R173 CarbonylContact O-C 3.51Å; G138-R173 WeakPolarHBondContact O-CA 3.3Å; G138-L174 PolarHBondContact O-N 3.39Å
139L94.3Very high95.6Very high21 Ų2138.9 Ų38.911%0.1120%0.198CC..BIsolated β-bridgetrans-69.2116.1-177.4-174.569.5000110.4V107 H116 P147 L174V107-L139 HydrophobicContact CG1-CD2 3.66Å; V107-L139 HydrophobicContact CG1-CG 4.45Å; H116-L139 PolarHBondContact CE1-O 3.37Å; H116-L139 PolarHBondContact NE2-O 3.26Å; L139-P147 WeakPolarHBondContact O-CD 3.33Å; L139-L174 HydrophobicContact CD1-CD2 3.75Å; L139-L174 HydrophobicContact CD1-CG 4.37Å
140C95.6Very high95.4Very high8 Ų840.5 Ų40.55%0.05420%0.204CC..  trans-86.2140.8177-63.30000111.4G138 E145 L174 Y176G138-C140 PolarHBondContact O-N 3.46Å; C140-E145 CarbonylContact C-O 3.59Å; C140-E145 WeakPolarHBondContact CA-O 3.43Å; C140-L174 WeakPolarHBondContact CB-O 3.45Å; C140-L174 PolarHBondContact N-O 3.43Å; C140-Y176 WeakPolarHBondContact O-CB 3.24Å
141N95.6Very high95.1Very high2 Ų241.4 Ų41.41%0.01121%0.21CC..  trans-77.8-175.6167.57211.7000112.1G111 N112 Y143 G144 E145 Y176G111-N141 WeakPolarHBondContact O-CA 3.26Å; G111-N141 WeakPolarHBondContact O-CB 3.48Å; N112-N141 WeakPolarHBondContact OD1-CB 3.37Å; N112-N141 PolarHBondContact OD1-ND2 2.87Å; N141-Y143 PolarHBondContact O-N 3.41Å; N141-Y143 VanDerWaalsContact O-N 3.11Å; N141-Y143 WeakPolarHBondContact OD1-CA 3.28Å; N141-Y143 WeakPolarHBondContact OD1-CB 3.16Å; N141-Y143 PolarHBondContact OD1-N 2.74Å; N141-G144 PolarHBondContact O-N 3.05Å; N141-G144 PolarHBondContact OD1-N 2.94Å; N141-E145 PolarHBondContact N-O 2.91Å; N141-E145 PolarHBondContact ND2-OE2 2.97Å; N141-E145 PolarHBondContact OD1-N 3.25Å; N141-E145 PolarHBondContact OD1-O 3.32Å; N141-Y176 WeakPolarHBondContact O-CB 3.42Å
142R94.4Very high94.6Very high117 Ų11749.2 Ų49.244%0.44224%0.239SC..THydrogen-bonded Turntrans-61.3-18178.8-75.4-174.2-178.8-170.55.8114.6E109 H110 Y176 D178E109-R142 WeakPolarHBondContact O-CD 3.37Å; E109-R142 PolarHBondContact O-NE 3.19Å; E109-R142 PolarHBondContact O-NH1 2.89Å; E109-R142 PolarHBondContact O-NH2 3.08Å; E109-R142 VanDerWaalsContact O-NH2 3.08Å; H110-R142 WeakPolarHBondContact O-CB 3.34Å; H110-R142 WeakPolarHBondContact O-CG 3.44Å; H110-R142 PolarHBondContact O-N 2.88Å; R142-Y176 HydrophobicContact CB-CD1 4.49Å; R142-Y176 HydrophobicContact CG-CD1 3.54Å; R142-Y176 HydrophobicContact CG-CD2 4.19Å; R142-Y176 HydrophobicContact CG-CE1 3.44Å; R142-Y176 VanDerWaalsContact CG-CE1 3.44Å; R142-Y176 HydrophobicContact CG-CE2 4.1Å; R142-Y176 HydrophobicContact CG-CG 3.93Å; R142-Y176 VanDerWaalsContact NE-CZ 3.33Å; R142-Y176 PolarHBondContact NE-OH 3.04Å; R142-Y176 VanDerWaalsContact NE-OH 3.11Å; R142-Y176 PolarHBondContact NH2-OH 2.77Å; R142-D178 IonicContact NH2-OD1 3.73Å
143Y94.3Very high94Very high153 Ų15350.7 Ų50.760%0.626%0.256SS*.THydrogen-bonded Turntrans-95.12.1178.6-50.5-73.1000112.6N141 E145N141-Y143 PolarHBondContact O-N 3.41Å; N141-Y143 VanDerWaalsContact O-N 3.11Å; N141-Y143 WeakPolarHBondContact OD1-CA 3.28Å; N141-Y143 WeakPolarHBondContact OD1-CB 3.16Å; N141-Y143 PolarHBondContact OD1-N 2.74Å; Y143-E145 WeakPolarHBondContact CB-OE2 3.45Å; Y143-E145 PolarHBondContact O-N 3.19Å
144G94.1Very high93.4Very high39 Ų3954.9 Ų54.940%0.40228%0.276SS..SBendtrans77.49.6-177.400000114N141N141-G144 PolarHBondContact O-N 3.05Å; N141-G144 PolarHBondContact OD1-N 2.94Å
145E95.6Very high93.1Very high55 Ų5553.5 Ų53.526%0.25726%0.259SS..  trans-91137.3-179.9-57.9165.9113.600109.6H116 C140 N141 Y143 D149 K150H116-E145 PolarHBondContact NE2-O 3.21Å; C140-E145 CarbonylContact C-O 3.59Å; C140-E145 WeakPolarHBondContact CA-O 3.43Å; N141-E145 PolarHBondContact N-O 2.91Å; N141-E145 PolarHBondContact ND2-OE2 2.97Å; N141-E145 PolarHBondContact OD1-N 3.25Å; N141-E145 PolarHBondContact OD1-O 3.32Å; Y143-E145 WeakPolarHBondContact CB-OE2 3.45Å; Y143-E145 PolarHBondContact O-N 3.19Å; E145-D149 HydrophobicContact CB-CB 4.08Å; E145-K150 VanDerWaalsContact CD-CE 3.44Å; E145-K150 WeakPolarHBondContact OE1-CE 3.41Å; E145-K150 IonicContact OE1-NZ 2.75Å; E145-K150 PolarHBondContact OE1-NZ 3.18Å; E145-K150 WeakPolarHBondContact OE2-CE 3.37Å; E145-K150 IonicContact OE2-NZ 2.61Å; E145-K150 PolarHBondContact OE2-NZ 3.27Å
146T96.1Very high92.8Very high9 Ų955 Ų556%0.05527%0.27CS..  trans-86.7167.8171.263.10000111V137 L148 D149 K150 R173V137-T146 WeakPolarHBondContact O-CB 3.21Å; T146-L148 PolarHBondContact O-N 3.22Å; T146-D149 WeakPolarHBondContact CB-OD2 3.46Å; T146-D149 PolarHBondContact N-OD2 3.43Å; T146-D149 WeakPolarHBondContact O-CB 3.46Å; T146-D149 PolarHBondContact O-N 3.26Å; T146-D149 PolarHBondContact OG1-N 2.93Å; T146-D149 PolarHBondContact OG1-OD2 2.97Å; T146-K150 PolarHBondContact O-N 3.25Å; T146-R173 HydrophobicContact CG2-CG 4.16Å
147P95.1Very high92.6Very high1 Ų161.4 Ų61.41%0.00629%0.294CS..THydrogen-bonded Turntrans-56.3-34.3171.2-23.230.7000113.1L115 H116 C119 V137 L139 D149 K150 C151L115-P147 HydrophobicContact CB-CB 4.35Å; L115-P147 HydrophobicContact CB-CG 4.24Å; L115-P147 HydrophobicContact CD2-CB 3.95Å; L115-P147 HydrophobicContact CD2-CG 3.88Å; L115-P147 HydrophobicContact CG-CB 3.69Å; L115-P147 HydrophobicContact CG-CG 3.94Å; H116-P147 WeakPolarHBondContact NE2-CD 3.38Å; C119-P147 HydrophobicContact CB-CB 4.39Å; C119-P147 WeakPolarHBondContact CB-O 3.45Å; C119-P147 PolarHBondContact SG-O 3.07Å; V137-P147 WeakPolarHBondContact O-CD 3.29Å; L139-P147 WeakPolarHBondContact O-CD 3.33Å; P147-D149 VanDerWaalsContact C-N 3.35Å; P147-K150 PolarHBondContact O-N 3.41Å; P147-C151 PolarHBondContact O-N 2.85Å; P147-C151 PolarHBondContact O-SG 3.23Å
148L94Very high92.4Very high27 Ų2762.2 Ų62.214%0.14130%0.3CS..THydrogen-bonded Turntrans-66.5-36.1176.7-72.8172.6000112.2V137 T146 K150 C151 I159 L170V137-L148 HydrophobicContact CB-CD1 4.12Å; V137-L148 HydrophobicContact CB-CG 4.34Å; V137-L148 HydrophobicContact CG2-CD1 4.25Å; T146-L148 PolarHBondContact O-N 3.22Å; L148-K150 PolarHBondContact O-N 2.94Å; L148-C151 WeakPolarHBondContact O-CB 3.19Å; L148-C151 PolarHBondContact O-N 3Å; L148-C151 VanDerWaalsContact O-N 3.14Å; L148-I159 HydrophobicContact CD2-CB 4.13Å; L148-I159 HydrophobicContact CD2-CG2 3.54Å; L148-L170 HydrophobicContact CD1-CD2 3.88Å
149D94.5Very high92.3Very high78 Ų7862.1 Ų62.142%0.41730%0.298SS..THydrogen-bonded Turntrans-66.6-23.3175.4-60.4-52.2000112.1E145 T146 P147 R173E145-D149 HydrophobicContact CB-CB 4.08Å; T146-D149 WeakPolarHBondContact CB-OD2 3.46Å; T146-D149 PolarHBondContact N-OD2 3.43Å; T146-D149 WeakPolarHBondContact O-CB 3.46Å; T146-D149 PolarHBondContact O-N 3.26Å; T146-D149 PolarHBondContact OG1-N 2.93Å; T146-D149 PolarHBondContact OG1-OD2 2.97Å; P147-D149 VanDerWaalsContact C-N 3.35Å; D149-R173 IonicContact OD1-NH2 2.65Å; D149-R173 PolarHBondContact OD1-NH2 2.75Å; D149-R173 IonicContact OD2-NH2 3.15Å
150K93.6Very high92.3Very high51 Ų5163 Ų6322%0.22230%0.304CS..THydrogen-bonded Turntrans-85.9-12.1174.6-66.6-56.9-167.6-170.90114.3C119 F120 E145 T146 P147 L148C119-K150 HydrophobicContact CB-CB 4.43Å; F120-K150 WeakPolarHBondContact CA-O 3.39Å; F120-K150 HydrophobicContact CB-CB 4.22Å; F120-K150 HydrophobicContact CD2-CD 4.23Å; E145-K150 VanDerWaalsContact CD-CE 3.44Å; E145-K150 WeakPolarHBondContact OE1-CE 3.41Å; E145-K150 IonicContact OE1-NZ 2.75Å; E145-K150 PolarHBondContact OE1-NZ 3.18Å; E145-K150 WeakPolarHBondContact OE2-CE 3.37Å; E145-K150 IonicContact OE2-NZ 2.61Å; E145-K150 PolarHBondContact OE2-NZ 3.27Å; T146-K150 PolarHBondContact O-N 3.25Å; P147-K150 PolarHBondContact O-N 3.41Å; L148-K150 PolarHBondContact O-N 2.94Å
151C91.3Very high92.2Very high20 Ų2068.7 Ų68.714%0.13533%0.33CS..SBendtrans-68.3147.5-177.1-690000112.4C119 P147 L148C119-C151 WeakPolarHBondContact CB-SG 3.39Å; C119-C151 PolarHBondContact SG-SG 3.18Å; P147-C151 PolarHBondContact O-N 2.85Å; P147-C151 PolarHBondContact O-SG 3.23Å; L148-C151 WeakPolarHBondContact O-CB 3.19Å; L148-C151 PolarHBondContact O-N 3Å; L148-C151 VanDerWaalsContact O-N 3.14Å
152R87.8Confident92.2Very high166 Ų16669.4 Ų69.463%0.62633%0.334SS*.  trans-66.9148.5157.5-64-176.4-179.5-177.61.3109.6E154 V155 S156R152-E154 PolarHBondContact O-N 2.82Å; R152-E154 VanDerWaalsContact O-N 3.12Å; R152-V155 HydrophobicContact CB-CG2 4.48Å; R152-V155 PolarHBondContact O-N 3.42Å; R152-V155 VanDerWaalsContact O-N 3.14Å; R152-S156 PolarHBondContact O-N 3.44Å
153L83.3Confident92.2Very high158 Ų15863.8 Ų63.883%0.82731%0.313SS*.Hα-helixtrans-53.8-35.5-176-70.8171.6000113.7
154E84.6Confident92.2Very high168 Ų16860.2 Ų60.279%0.78531%0.307SS*.Hα-helixtrans-68.1-49.5179.9-64.8173.5176.400111.4R152 S156R152-E154 PolarHBondContact O-N 2.82Å; R152-E154 VanDerWaalsContact O-N 3.12Å; E154-S156 PolarHBondContact O-N 2.96Å
155V88.5Confident92.3Very high12 Ų1264.3 Ų64.37%0.07332%0.32CS..Hα-helixtrans-70.6-32.5-177.7-174.20000111.7E124 R152 K157 S158 I159E124-V155 HydrophobicContact CB-CG1 3.95Å; E124-V155 HydrophobicContact CG-CG1 4.17Å; R152-V155 HydrophobicContact CB-CG2 4.48Å; R152-V155 PolarHBondContact O-N 3.42Å; R152-V155 VanDerWaalsContact O-N 3.14Å; V155-K157 VanDerWaalsContact C-N 3.27Å; V155-K157 PolarHBondContact O-N 2.92Å; V155-S158 PolarHBondContact O-N 3.34Å; V155-I159 HydrophobicContact CG1-CD1 3.5Å; V155-I159 HydrophobicContact CG1-CG1 3.94Å; V155-I159 WeakPolarHBondContact O-CG1 3.4Å; V155-I159 PolarHBondContact O-N 2.81Å; V155-I159 VanDerWaalsContact O-N 3.09Å
156S90.7Very high92.2Very high32 Ų3264.5 Ų64.522%0.22433%0.327CS..Hα-helixtrans-56.1-38-178.3-178.50000113.1R152 E154 T160R152-S156 PolarHBondContact O-N 3.44Å; E154-S156 PolarHBondContact O-N 2.96Å; S156-T160 VanDerWaalsContact O-CB 3.24Å; S156-T160 WeakPolarHBondContact O-CB 2.87Å; S156-T160 PolarHBondContact O-N 3.34Å; S156-T160 PolarHBondContact O-OG1 2.83Å
157K91.1Very high92Very high165 Ų16567.4 Ų67.472%0.71736%0.358SS*.Hα-helixtrans-64.6-47.8-179.4-68.2-179.2-178.5176.50112.1V155 T160 E161V155-K157 VanDerWaalsContact C-N 3.27Å; V155-K157 PolarHBondContact O-N 2.92Å; K157-T160 WeakPolarHBondContact O-CB 3.44Å; K157-T160 PolarHBondContact O-N 3.26Å; K157-E161 PolarHBondContact O-N 3.16Å
158S91Very high92Very high21 Ų2169.3 Ų69.315%0.14737%0.367CS..Hα-helixtrans-63.8-48.2179.6-178.60000111.4E124 E128 V155 T160 E161 V162E124-S158 WeakPolarHBondContact OE1-CB 3.43Å; E124-S158 PolarHBondContact OE1-OG 3.21Å; E128-S158 PolarHBondContact OE1-OG 3.45Å; E128-S158 VanDerWaalsContact OE1-OG 3.09Å; V155-S158 PolarHBondContact O-N 3.34Å; S158-T160 VanDerWaalsContact C-N 3.27Å; S158-T160 PolarHBondContact O-N 3.3Å; S158-E161 PolarHBondContact O-N 3.29Å; S158-E161 VanDerWaalsContact O-N 3.12Å; S158-V162 PolarHBondContact O-N 2.91Å
159I93.1Very high91.8Very high1 Ų172.8 Ų72.81%0.00539%0.386CS..Hα-helixtrans-59.1-40.3176.5-66.6-178000111.3C119 A127 I131 L148 V155 V162 A163C119-I159 VanDerWaalsContact SG-CD1 3.56Å; A127-I159 HydrophobicContact CB-CD1 3.47Å; A127-I159 VanDerWaalsContact CB-CD1 3.47Å; A127-I159 HydrophobicContact CB-CG1 4.03Å; I131-I159 HydrophobicContact CD1-CG2 3.5Å; L148-I159 HydrophobicContact CD2-CB 4.13Å; L148-I159 HydrophobicContact CD2-CG2 3.54Å; V155-I159 HydrophobicContact CG1-CD1 3.5Å; V155-I159 HydrophobicContact CG1-CG1 3.94Å; V155-I159 WeakPolarHBondContact O-CG1 3.4Å; V155-I159 PolarHBondContact O-N 2.81Å; V155-I159 VanDerWaalsContact O-N 3.09Å; I159-V162 PolarHBondContact O-N 2.65Å; I159-A163 VanDerWaalsContact O-CB 3.25Å; I159-A163 WeakPolarHBondContact O-CB 2.89Å; I159-A163 PolarHBondContact O-N 2.88Å
160T94Very high91.5Very high39 Ų3972.4 Ų72.424%0.23938%0.383CS..Hα-helixtrans-62.4-45.6177.1-61.10000111.3S156 K157 S158 A163 V164 L170S156-T160 VanDerWaalsContact O-CB 3.24Å; S156-T160 WeakPolarHBondContact O-CB 2.87Å; S156-T160 PolarHBondContact O-N 3.34Å; S156-T160 PolarHBondContact O-OG1 2.83Å; K157-T160 WeakPolarHBondContact O-CB 3.44Å; K157-T160 PolarHBondContact O-N 3.26Å; S158-T160 VanDerWaalsContact C-N 3.27Å; S158-T160 PolarHBondContact O-N 3.3Å; T160-A163 PolarHBondContact O-N 3.18Å; T160-V164 VanDerWaalsContact O-CG2 3.26Å; T160-V164 WeakPolarHBondContact O-CG2 3.18Å; T160-V164 PolarHBondContact O-N 3.45Å; T160-L170 HydrophobicContact CG2-CD1 3.42Å; T160-L170 VanDerWaalsContact CG2-CD1 3.42Å; T160-L170 HydrophobicContact CG2-CD2 4.18Å; T160-L170 HydrophobicContact CG2-CG 4.44Å
161E93.9Very high91.2Very high129 Ų12978.8 Ų78.860%0.60341%0.411SS*.Hα-helixtrans-60.7-46.7177.6-176.4173.9-177.600111.6K157 S158 V164 N165K157-E161 PolarHBondContact O-N 3.16Å; S158-E161 PolarHBondContact O-N 3.29Å; S158-E161 VanDerWaalsContact O-N 3.12Å; E161-V164 PolarHBondContact O-N 3.27Å; E161-N165 WeakPolarHBondContact O-CB 3.36Å; E161-N165 PolarHBondContact O-N 2.71Å; E161-N165 PolarHBondContact O-ND2 2.81Å
162V94.7Very high91.2Very high16 Ų1683.9 Ų83.910%0.09743%0.429CS..Hα-helixtrans-64.5-42177.4176.90000111.7E128 I131 R132 S158 I159 V164 N165 C166E128-V162 HydrophobicContact CB-CG1 4.31Å; E128-V162 HydrophobicContact CB-CG2 4.45Å; E128-V162 HydrophobicContact CG-CB 4.43Å; E128-V162 HydrophobicContact CG-CG2 3.87Å; I131-V162 HydrophobicContact CB-CG1 4.36Å; I131-V162 HydrophobicContact CG2-CG1 3.96Å; R132-V162 HydrophobicContact CG-CG1 4.38Å; S158-V162 PolarHBondContact O-N 2.91Å; I159-V162 PolarHBondContact O-N 2.65Å; V162-V164 PolarHBondContact O-N 3.22Å; V162-N165 PolarHBondContact O-N 3.4Å; V162-C166 WeakPolarHBondContact O-CB 3.24Å; V162-C166 PolarHBondContact O-N 3.49Å; V162-C166 PolarHBondContact O-SG 2.91Å
163A94.8Very high91.4Very high0 Ų082.6 Ų82.60%042%0.424CS..Hα-helixtrans-61.7-42.4177.600000112.6I131 V137 I159 T160 C166 G167 Q168 L170I131-A163 HydrophobicContact CD1-CB 4.43Å; I131-A163 HydrophobicContact CG2-CB 4.48Å; V137-A163 HydrophobicContact CG1-CB 3.71Å; V137-A163 HydrophobicContact CG2-CB 4.15Å; I159-A163 VanDerWaalsContact O-CB 3.25Å; I159-A163 WeakPolarHBondContact O-CB 2.89Å; I159-A163 PolarHBondContact O-N 2.88Å; T160-A163 PolarHBondContact O-N 3.18Å; A163-C166 CarbonylContact O-C 3.26Å; A163-C166 PolarHBondContact O-N 3.31Å; A163-G167 PolarHBondContact O-N 3.3Å; A163-Q168 HydrophobicContact CB-CB 4.48Å; A163-Q168 WeakPolarHBondContact O-CB 3.35Å; A163-Q168 PolarHBondContact O-N 3Å; A163-L170 HydrophobicContact CB-CD2 4.08Å
164V95.1Very high91.7Very high78 Ų7877.9 Ų77.947%0.47340%0.399SS..Hα-helixtrans-64.1-44175.2171.70000110.7T160 E161 V162 C166 G167 L170T160-V164 VanDerWaalsContact O-CG2 3.26Å; T160-V164 WeakPolarHBondContact O-CG2 3.18Å; T160-V164 PolarHBondContact O-N 3.45Å; E161-V164 PolarHBondContact O-N 3.27Å; V162-V164 PolarHBondContact O-N 3.22Å; V164-C166 VanDerWaalsContact C-N 3.27Å; V164-C166 PolarHBondContact O-N 2.97Å; V164-G167 PolarHBondContact O-N 2.63Å; V164-L170 HydrophobicContact CG2-CD1 3.72Å; V164-L170 HydrophobicContact CG2-CD2 4.37Å; V164-L170 HydrophobicContact CG2-CG 4.08Å
165N94.7Very high91.9Very high125 Ų12573.8 Ų73.867%0.66839%0.387SS*.Hα-helixtrans-64.3-31.2177.2-71.2-23.8000112.6E161 V162 G167E161-N165 WeakPolarHBondContact O-CB 3.36Å; E161-N165 PolarHBondContact O-N 2.71Å; E161-N165 PolarHBondContact O-ND2 2.81Å; V162-N165 PolarHBondContact O-N 3.4Å; N165-G167 PolarHBondContact O-N 3.46Å
166C93.4Very high91.9Very high59 Ų5975.6 Ų75.640%0.39939%0.393SS..THydrogen-bonded Turntrans-80.95.6171.8-70.80000113.8I131 V162 A163 V164I131-C166 HydrophobicContact CG2-CB 4.04Å; V162-C166 WeakPolarHBondContact O-CB 3.24Å; V162-C166 PolarHBondContact O-N 3.49Å; V162-C166 PolarHBondContact O-SG 2.91Å; A163-C166 CarbonylContact O-C 3.26Å; A163-C166 PolarHBondContact O-N 3.31Å; V164-C166 VanDerWaalsContact C-N 3.27Å; V164-C166 PolarHBondContact O-N 2.97Å
167G93.2Very high91.3Very high70 Ų7083.1 Ų83.172%0.72242%0.416SS*.THydrogen-bonded Turntrans78.519.5174.400000115.3A163 V164 N165A163-G167 PolarHBondContact O-N 3.3Å; V164-G167 PolarHBondContact O-N 2.63Å; N165-G167 PolarHBondContact O-N 3.46Å
168Q94.3Very high90.4Very high40 Ų4079.4 Ų79.419%0.18740%0.404CS..  trans-84.9138.2178.2-57.3-163.438.500112A135 V137 A163A135-Q168 PolarHBondContact O-NE2 3.17Å; A135-Q168 PolarHBondContact O-OE1 2.96Å; V137-Q168 HydrophobicContact CG2-CB 4.14Å; A163-Q168 HydrophobicContact CB-CB 4.48Å; A163-Q168 WeakPolarHBondContact O-CB 3.35Å; A163-Q168 PolarHBondContact O-N 3Å
169D90.3Very high88.9Confident100 Ų10082.4 Ų82.454%0.53542%0.416SS..  trans-83.8112.8172.1179.98.3000110.6K171 Y172D169-K171 PolarHBondContact O-N 3.16Å; D169-K171 WeakPolarHBondContact OD1-CB 3.41Å; D169-K171 PolarHBondContact OD1-N 3.07Å; D169-Y172 WeakPolarHBondContact O-CB 3.38Å; D169-Y172 PolarHBondContact O-N 3.46Å; D169-Y172 VanDerWaalsContact O-N 3.16Å
170L88Confident87Confident70 Ų7085.5 Ų85.537%0.36644%0.437SS..THydrogen-bonded Turntrans-66.4-20.4-179.8-55173000113.6V137 L148 T160 A163 V164V137-L170 HydrophobicContact CG2-CD2 4.16Å; L148-L170 HydrophobicContact CD1-CD2 3.88Å; T160-L170 HydrophobicContact CG2-CD1 3.42Å; T160-L170 VanDerWaalsContact CG2-CD1 3.42Å; T160-L170 HydrophobicContact CG2-CD2 4.18Å; T160-L170 HydrophobicContact CG2-CG 4.44Å; A163-L170 HydrophobicContact CB-CD2 4.08Å; V164-L170 HydrophobicContact CG2-CD1 3.72Å; V164-L170 HydrophobicContact CG2-CD2 4.37Å; V164-L170 HydrophobicContact CG2-CG 4.08Å
171K88.2Confident84.6Confident186 Ų18695 Ų9581%0.80947%0.469SS*.THydrogen-bonded Turntrans-84.9-20.1177.3-65.3-178179.9176.80112.1D169 R173D169-K171 PolarHBondContact O-N 3.16Å; D169-K171 WeakPolarHBondContact OD1-CB 3.41Å; D169-K171 PolarHBondContact OD1-N 3.07Å; K171-R173 PolarHBondContact O-N 3.3Å
172Y89.7Confident81.9Confident127 Ų12794.9 Ų94.950%0.49847%0.467SS..  trans-70.9121.9179.5-179.1-106.6000110G138 D169 L174G138-Y172 WeakPolarHBondContact CA-O 3.42Å; D169-Y172 WeakPolarHBondContact O-CB 3.38Å; D169-Y172 PolarHBondContact O-N 3.46Å; D169-Y172 VanDerWaalsContact O-N 3.16Å; Y172-L174 HydrophobicContact CE1-CB 3.92Å; Y172-L174 WeakPolarHBondContact OH-CD1 3.44Å
173R91.9Very high79.2Confident139 Ų13997.9 Ų97.953%0.52550%0.501SS..  trans-119.4115.3175.8-71.8-175.6171.1-169.7-9.3109G138 T146 D149 K171 P175G138-R173 CarbonylContact O-C 3.51Å; G138-R173 WeakPolarHBondContact O-CA 3.3Å; T146-R173 HydrophobicContact CG2-CG 4.16Å; D149-R173 IonicContact OD1-NH2 2.65Å; D149-R173 PolarHBondContact OD1-NH2 2.75Å; D149-R173 IonicContact OD2-NH2 3.15Å; K171-R173 PolarHBondContact O-N 3.3Å; R173-P175 WeakPolarHBondContact O-CD 3.47Å
174L89.9Confident76.2Confident59 Ų59103.1 Ų103.131%0.30953%0.533SS..BIsolated β-bridgetrans-90.8107.6174.6-178.167.9000108.1G138 L139 C140 Y172G138-L174 PolarHBondContact O-N 3.39Å; L139-L174 HydrophobicContact CD1-CD2 3.75Å; L139-L174 HydrophobicContact CD1-CG 4.37Å; C140-L174 WeakPolarHBondContact CB-O 3.45Å; C140-L174 PolarHBondContact N-O 3.43Å; Y172-L174 HydrophobicContact CE1-CB 3.92Å; Y172-L174 WeakPolarHBondContact OH-CD1 3.44Å
175P89.6Confident73.4Confident81 Ų81102.3 Ų102.353%0.52652%0.523SS..  trans-63.8143.4-177.426.2-34.5000111R173 R177R173-P175 WeakPolarHBondContact O-CD 3.47Å; P175-R177 PolarHBondContact O-N 2.99Å
176Y87.4Confident70.6Confident51 Ų51100.1 Ų100.120%0.252%0.515CS..  trans-56123.5171.2177.1-98.5000109.6V107 G111 C140 N141 R142 D178V107-Y176 HydrophobicContact CG2-CE2 4.4Å; G111-Y176 VanDerWaalsContact CA-CE2 3.41Å; C140-Y176 WeakPolarHBondContact O-CB 3.24Å; N141-Y176 WeakPolarHBondContact O-CB 3.42Å; R142-Y176 HydrophobicContact CB-CD1 4.49Å; R142-Y176 HydrophobicContact CG-CD1 3.54Å; R142-Y176 HydrophobicContact CG-CD2 4.19Å; R142-Y176 HydrophobicContact CG-CE1 3.44Å; R142-Y176 VanDerWaalsContact CG-CE1 3.44Å; R142-Y176 HydrophobicContact CG-CE2 4.1Å; R142-Y176 HydrophobicContact CG-CG 3.93Å; R142-Y176 VanDerWaalsContact NE-CZ 3.33Å; R142-Y176 PolarHBondContact NE-OH 3.04Å; R142-Y176 VanDerWaalsContact NE-OH 3.11Å; R142-Y176 PolarHBondContact NH2-OH 2.77Å; Y176-D178 HydrophobicContact CE1-CB 3.75Å; Y176-D178 PolarHBondContact OH-OD1 3.4Å
177R80Confident68.1Low190 Ų190100.3 Ų100.372%0.71751%0.507SS*.  trans-106.1121.7169.3-69.4-174.1178.7-1770.1107.6P175 Q179P175-R177 PolarHBondContact O-N 2.99Å; R177-Q179 WeakPolarHBondContact O-CG 3.42Å; R177-Q179 PolarHBondContact O-N 3Å
178D70.3Confident65.7Low87 Ų8798.5 Ų98.547%0.46548%0.483SS..  trans-66.7107.6176.4-165.318000109.8R142 Y176 S180R142-D178 IonicContact NH2-OD1 3.73Å; Y176-D178 HydrophobicContact CE1-CB 3.75Å; Y176-D178 PolarHBondContact OH-OD1 3.4Å; D178-S180 PolarHBondContact O-N 3.21Å; D178-S180 WeakPolarHBondContact OD1-CB 3.48Å; D178-S180 PolarHBondContact OD1-N 2.95Å; D178-S180 PolarHBondContact OD1-OG 3Å; D178-S180 WeakPolarHBondContact OD2-CB 3.46Å; D178-S180 PolarHBondContact OD2-OG 3.41Å
179Q61.3Low63.1Low83 Ų83102.1 Ų102.139%0.38850%0.495SS..  trans-88.410.1178.1-56.3-165.345.700111.7R177 W181 K182R177-Q179 WeakPolarHBondContact O-CG 3.42Å; R177-Q179 PolarHBondContact O-N 3Å; Q179-W181 PolarHBondContact O-N 3.29Å; Q179-K182 PolarHBondContact O-N 2.83Å; Q179-K182 VanDerWaalsContact O-N 3.13Å
180S53.1Low60.8Low66 Ų66100.3 Ų100.346%0.46249%0.485SS..THydrogen-bonded Turntrans-53.1-35.6177.460.20000113D178D178-S180 PolarHBondContact O-N 3.21Å; D178-S180 WeakPolarHBondContact OD1-CB 3.48Å; D178-S180 PolarHBondContact OD1-N 2.95Å; D178-S180 PolarHBondContact OD1-OG 3Å; D178-S180 WeakPolarHBondContact OD2-CB 3.46Å; D178-S180 PolarHBondContact OD2-OG 3.41Å
181W42.7Very low58.5Low239 Ų23997.3 Ų97.391%0.90547%0.47SS*.THydrogen-bonded Turntrans-83.1-18.2-179.4-169.7-95.3000114.8Q179 G183Q179-W181 PolarHBondContact O-N 3.29Å; W181-G183 PolarHBondContact O-N 3.31Å
182K38.4Very low56.3Low126 Ų12690.6 Ų90.655%0.54845%0.445SS..  trans-73.897.9175.7-80.7-170.1179.7-176.50108Q179 T184 K185Q179-K182 PolarHBondContact O-N 2.83Å; Q179-K182 VanDerWaalsContact O-N 3.13Å; K182-T184 WeakPolarHBondContact CB-OG1 3.4Å; K182-T184 PolarHBondContact O-N 3.41Å; K182-K185 PolarHBondContact O-N 3.04Å
183G36.3Very low54.5Low80 Ų8085 Ų8583%0.82542%0.424SS*.THydrogen-bonded Turntrans-57.37.116700000114.7W181W181-G183 PolarHBondContact O-N 3.31Å
184T33.4Very low52.5Low109 Ų10979.3 Ų79.367%0.66941%0.406SS*.THydrogen-bonded Turntrans-95.72.1172.259.20000113.5K182 T186K182-T184 WeakPolarHBondContact CB-OG1 3.4Å; K182-T184 PolarHBondContact O-N 3.41Å; T184-T186 PolarHBondContact O-N 2.81Å
185K36.3Very low50.6Low62 Ų6283.7 Ų83.727%0.2742%0.418SS..  trans-68.895.6151.9-67.1-165.3-177.6-164.20104.1D78 K182 R187D78-K185 IonicContact OD2-NZ 3.54Å; D78-K185 PolarHBondContact OD2-NZ 3.38Å; K182-K185 PolarHBondContact O-N 3.04Å; K185-R187 HydrophobicContact CB-CG 3.46Å; K185-R187 VanDerWaalsContact CB-CG 3.46Å; K185-R187 HydrophobicContact CD-CG 4.03Å; K185-R187 HydrophobicContact CG-CG 4.4Å; K185-R187 PolarHBondContact O-N 3.27Å
186T36.2Very low48.7Very low79 Ų7986.3 Ų86.349%0.48542%0.418SS..  trans-62.567.1153.236.30000106.4T184 S188 E338T184-T186 PolarHBondContact O-N 2.81Å; T186-S188 PolarHBondContact O-N 3.22Å; T186-E338 WeakPolarHBondContact CB-OE2 3.4Å; T186-E338 VanDerWaalsContact CG2-OE2 3.23Å; T186-E338 WeakPolarHBondContact CG2-OE2 3.41Å; T186-E338 PolarHBondContact OG1-OE1 3.1Å; T186-E338 PolarHBondContact OG1-OE2 3.41Å
187R39.8Very low47.3Very low63 Ų6388.9 Ų88.924%0.23844%0.444CS..  trans-60.2111170.1-61.4-176.1-165.7-125.66101.9D78 K185 R189D78-R187 IonicContact OD1-CZ 3.63Å; D78-R187 IonicContact OD1-NH1 3.79Å; D78-R187 PolarHBondContact OD1-NH1 3.12Å; D78-R187 IonicContact OD2-CZ 3.12Å; D78-R187 IonicContact OD2-NH1 3.74Å; D78-R187 PolarHBondContact OD2-NH1 2.72Å; D78-R187 IonicContact OD2-NH2 3.16Å; K185-R187 HydrophobicContact CB-CG 3.46Å; K185-R187 VanDerWaalsContact CB-CG 3.46Å; K185-R187 HydrophobicContact CD-CG 4.03Å; K185-R187 HydrophobicContact CG-CG 4.4Å; K185-R187 PolarHBondContact O-N 3.27Å; R187-R189 HydrophobicContact CB-CB 3.73Å; R187-R189 HydrophobicContact CB-CG 3.73Å; R187-R189 HydrophobicContact CG-CG 4.44Å; R187-R189 PolarHBondContact O-N 3.41Å
188S42.1Very low46.8Very low31 Ų3182.8 Ų82.822%0.21744%0.44CS..  trans-68.855.2159.4350000107.8R70 A73 T186 D190R70-S188 VanDerWaalsContact NH1-CB 3.35Å; A73-S188 WeakPolarHBondContact CA-OG 3.43Å; T186-S188 PolarHBondContact O-N 3.22Å; S188-D190 PolarHBondContact O-N 2.92Å
189R40.8Very low47.4Very low116 Ų11678.8 Ų78.844%0.43842%0.419SS..  trans-68.5-21.1-171.2-127.2-171.9139.29813.2110.8R187R187-R189 HydrophobicContact CB-CB 3.73Å; R187-R189 HydrophobicContact CB-CG 3.73Å; R187-R189 HydrophobicContact CG-CG 4.44Å; R187-R189 PolarHBondContact O-N 3.41Å
190D40.6Very low48.7Very low62 Ų6277.6 Ų77.633%0.33242%0.415SS..  trans-144.6102.1-172.2-82.2-52.8000108.5S188 T192 N226S188-D190 PolarHBondContact O-N 2.92Å; D190-T192 VanDerWaalsContact CB-OG1 3.24Å; D190-T192 WeakPolarHBondContact CB-OG1 3.38Å; D190-T192 PolarHBondContact O-N 3.01Å; D190-T192 PolarHBondContact OD1-OG1 3.23Å; D190-N226 WeakPolarHBondContact CB-ND2 3.41Å; D190-N226 PolarHBondContact O-ND2 2.67Å
191A39.8Very low50.5Low7 Ų776.3 Ų76.36%0.05840%0.403CS..  trans-78.96161.700000112.3N39 L40 L193N39-A191 HydrophobicContact CB-CB 4.06Å; N39-A191 WeakPolarHBondContact O-CB 3.34Å; L40-A191 VanDerWaalsContact CD2-C 3.48Å; L40-A191 HydrophobicContact CD2-CB 4.19Å; L40-A191 WeakPolarHBondContact CD2-O 3.49Å; A191-L193 PolarHBondContact O-N 3.24Å
192T43.6Very low52.8Low46 Ų4668.7 Ų68.728%0.28239%0.39SS..G310 helixtrans-67.816.6-17033.60000117.1D190 S194 Q224D190-T192 VanDerWaalsContact CB-OG1 3.24Å; D190-T192 WeakPolarHBondContact CB-OG1 3.38Å; D190-T192 PolarHBondContact O-N 3.01Å; D190-T192 PolarHBondContact OD1-OG1 3.23Å; T192-S194 VanDerWaalsContact C-N 3.28Å; T192-S194 PolarHBondContact O-N 3.05Å; T192-Q224 PolarHBondContact O-OE1 3.47Å
193L50.2Low55.2Low9 Ų967.3 Ų67.35%0.04739%0.386CS..G310 helixtrans-80.1-4.6-168.7-64.1161.5000114.1A191 W223 N226 L265A191-L193 PolarHBondContact O-N 3.24Å; L193-W223 HydrophobicContact CB-CZ3 3.85Å; L193-W223 HydrophobicContact CD2-CD2 4.27Å; L193-W223 HydrophobicContact CD2-CE3 3.29Å; L193-W223 HydrophobicContact CD2-CH2 4.36Å; L193-W223 HydrophobicContact CD2-CZ3 3.35Å; L193-W223 HydrophobicContact CG-CZ3 4.22Å; L193-W223 VanDerWaalsContact O-CH2 3.29Å; L193-W223 WeakPolarHBondContact O-CH2 3.5Å; L193-W223 WeakPolarHBondContact O-CZ3 3.41Å; L193-N226 HydrophobicContact CD1-CB 4.36Å; L193-N226 HydrophobicContact CD2-CB 4.27Å; L193-L265 HydrophobicContact CB-CB 4.2Å; L193-L265 HydrophobicContact CB-CD1 4.31Å; L193-L265 HydrophobicContact CB-CD2 4.06Å; L193-L265 HydrophobicContact CB-CG 4.42Å; L193-L265 HydrophobicContact CD1-CD1 3.57Å; L193-L265 HydrophobicContact CD1-CD2 3.99Å; L193-L265 HydrophobicContact CD1-CG 4.34Å; L193-L265 HydrophobicContact CD2-CD1 4.49Å; L193-L265 HydrophobicContact CG-CD1 4.32Å
194S51.2Low57.8Low20 Ų2063.5 Ų63.514%0.1435%0.347CS..G310 helixtrans-106.4-9.6-162.793.40000115.6T192 R254T192-S194 VanDerWaalsContact C-N 3.28Å; T192-S194 PolarHBondContact O-N 3.05Å; S194-R254 VanDerWaalsContact CA-NH2 3.27Å; S194-R254 PolarHBondContact O-NH2 2.8Å
195R48.8Very low60.6Low150 Ų15064 Ų6457%0.56634%0.342SS*.SBendtrans-90.1-10.1-170.7-61.1-165.5-157.918011.4116.1L12L12-R195 VanDerWaalsContact CD2-NH2 3.32Å
196Y51.3Low63.3Low137 Ų13763.4 Ų63.454%0.53734%0.341SS..  trans-106109.2-170.6-62-80.6000112.4W223Y196-W223 HydrophobicContact CD2-CZ2 4.46Å
197S58Low66Low105 Ų10566 Ų6673%0.73435%0.347SS*.SBendtrans-79.1137.3159.258.60000109.7
198G68.6Low68.6Low62 Ų6267.2 Ų67.264%0.63936%0.358SS*.SBendtrans86.641.7174.400000114.6D200G198-D200 PolarHBondContact O-N 2.79Å
199V83Confident71.1Confident3 Ų369.8 Ų69.82%0.01837%0.365CS..  trans-68.7128174-179.90000109.8Q203 L204 W223 T266 C268V199-Q203 HydrophobicContact CG1-CB 4.39Å; V199-L204 HydrophobicContact CG1-CD2 3.97Å; V199-W223 HydrophobicContact CG1-CZ2 4.22Å; V199-W223 HydrophobicContact CG2-CH2 4.13Å; V199-W223 HydrophobicContact CG2-CZ2 3.5Å; V199-T266 HydrophobicContact CB-CG2 4.44Å; V199-T266 HydrophobicContact CG2-CG2 4.06Å; V199-T266 WeakPolarHBondContact CG2-OG1 3.33Å; V199-C268 WeakPolarHBondContact O-CB 3.23Å; V199-C268 PolarHBondContact O-SG 3.13Å
200D87.9Confident73.5Confident58 Ų5867.9 Ų67.931%0.3137%0.366SS..  trans-79.5139173.5-166.9-47.3000110G198 A202 Q203 Q270G198-D200 PolarHBondContact O-N 2.79Å; D200-A202 PolarHBondContact O-N 3.2Å; D200-A202 WeakPolarHBondContact OD1-CB 3.34Å; D200-A202 PolarHBondContact OD1-N 3.27Å; D200-Q203 HydrophobicContact CB-CG 4.15Å; D200-Q203 VanDerWaalsContact O-CB 3.32Å; D200-Q203 WeakPolarHBondContact O-CB 3.49Å; D200-Q203 PolarHBondContact O-N 3.47Å; D200-Q270 PolarHBondContact OD1-NE2 2.95Å; D200-Q270 PolarHBondContact OD1-OE1 2.63Å; D200-Q270 VanDerWaalsContact OD1-OE1 3.07Å; D200-Q270 PolarHBondContact OD2-NE2 3.48Å
201I91.5Very high75.9Confident39 Ų3967.5 Ų67.520%0.237%0.368CS..G310 helixtrans-55.4-32.4175.4-166.1171000112.2Q203 L204 L206 I232 N273 V275I201-Q203 PolarHBondContact O-N 3.36Å; I201-L204 HydrophobicContact CG1-CD1 4.5Å; I201-L204 WeakPolarHBondContact O-CB 3.39Å; I201-L204 PolarHBondContact O-N 3.18Å; I201-L204 VanDerWaalsContact O-N 3.07Å; I201-L206 HydrophobicContact CG1-CD1 4.39Å; I201-I232 HydrophobicContact CD1-CD1 4.43Å; I201-N273 HydrophobicContact CD1-CB 3.93Å; I201-V275 HydrophobicContact CD1-CG2 3.98Å; I201-V275 HydrophobicContact CG1-CG2 4.47Å
202A90.9Very high78.4Confident78 Ų7871 Ų7165%0.64539%0.392SS*.G310 helixtrans-62.6-24.717700000112.8D200 L204D200-A202 PolarHBondContact O-N 3.2Å; D200-A202 WeakPolarHBondContact OD1-CB 3.34Å; D200-A202 PolarHBondContact OD1-N 3.27Å; A202-L204 VanDerWaalsContact C-N 3.32Å
203Q89.7Confident80.5Confident97 Ų9770.4 Ų70.445%0.45340%0.395SS..G310 helixtrans-76.7-18.1177-61.8174.619.900113V199 D200 I201 Q205V199-Q203 HydrophobicContact CG1-CB 4.39Å; D200-Q203 HydrophobicContact CB-CG 4.15Å; D200-Q203 VanDerWaalsContact O-CB 3.32Å; D200-Q203 WeakPolarHBondContact O-CB 3.49Å; D200-Q203 PolarHBondContact O-N 3.47Å; I201-Q203 PolarHBondContact O-N 3.36Å; Q203-Q205 VanDerWaalsContact C-N 3.25Å; Q203-Q205 PolarHBondContact O-N 3.07Å
204L90.3Very high82.3Confident0 Ų073.1 Ų73.10%041%0.413CS..G310 helixtrans-78.3-5.4-175.3-59.3-175.3000114.3V199 I201 A202 L206 S222 W223 I228 A230 V275 V277V199-L204 HydrophobicContact CG1-CD2 3.97Å; I201-L204 HydrophobicContact CG1-CD1 4.5Å; I201-L204 WeakPolarHBondContact O-CB 3.39Å; I201-L204 PolarHBondContact O-N 3.18Å; I201-L204 VanDerWaalsContact O-N 3.07Å; A202-L204 VanDerWaalsContact C-N 3.32Å; L204-L206 VanDerWaalsContact C-N 3.25Å; L204-L206 HydrophobicContact CB-CD2 3.79Å; L204-L206 HydrophobicContact CB-CG 4.06Å; L204-L206 HydrophobicContact CD1-CD2 4.49Å; L204-L206 PolarHBondContact O-N 3.33Å; L204-L206 VanDerWaalsContact O-N 3.08Å; L204-S222 CarbonylContact C-O 3.57Å; L204-S222 CarbonylContact O-C 3.54Å; L204-S222 PolarHBondContact O-N 3.08Å; L204-S222 VanDerWaalsContact O-N 3.14Å; L204-W223 HydrophobicContact CD2-CB 3.91Å; L204-W223 HydrophobicContact CD2-CD2 4.27Å; L204-W223 HydrophobicContact CD2-CG 3.74Å; L204-I228 HydrophobicContact CB-CD1 4.47Å; L204-A230 HydrophobicContact CD1-CB 4.04Å; L204-V275 HydrophobicContact CD1-CG1 4.14Å; L204-V277 HydrophobicContact CD1-CG2 3.68Å; L204-V277 HydrophobicContact CD2-CG2 3.89Å; L204-V277 HydrophobicContact CG-CG2 4.47Å
205Q92.4Very high84.1Confident121 Ų12173.3 Ų73.357%0.56542%0.415SS*.  trans39.853.3178-56.4178-16.800112.4Q203 Q207 G221 S222Q203-Q205 VanDerWaalsContact C-N 3.25Å; Q203-Q205 PolarHBondContact O-N 3.07Å; Q205-Q207 WeakPolarHBondContact O-CG 3.29Å; Q205-Q207 PolarHBondContact O-N 3.25Å; Q205-G221 VanDerWaalsContact O-CA 3.31Å; Q205-G221 WeakPolarHBondContact O-CA 3.37Å; Q205-S222 WeakPolarHBondContact CB-O 3.49Å; Q205-S222 PolarHBondContact O-N 3.46Å; Q205-S222 PolarHBondContact OE1-OG 2.93Å
206L93.4Very high86.1Confident48 Ų4866.2 Ų66.225%0.25139%0.389SS..EExtended strand (participates in β ladder)trans-66.3129.9-176.6-56.9-179.5000110.4I201 L204 W219 I228 A230 I232I201-L206 HydrophobicContact CG1-CD1 4.39Å; L204-L206 VanDerWaalsContact C-N 3.25Å; L204-L206 HydrophobicContact CB-CD2 3.79Å; L204-L206 HydrophobicContact CB-CG 4.06Å; L204-L206 HydrophobicContact CD1-CD2 4.49Å; L204-L206 PolarHBondContact O-N 3.33Å; L204-L206 VanDerWaalsContact O-N 3.08Å; L206-W219 HydrophobicContact CB-CB 4.32Å; L206-W219 HydrophobicContact CB-CE3 4.15Å; L206-W219 HydrophobicContact CD1-CB 4.05Å; L206-W219 HydrophobicContact CD1-CG 4.25Å; L206-W219 HydrophobicContact CD2-CB 3.98Å; L206-W219 HydrophobicContact CG-CB 4.34Å; L206-I228 HydrophobicContact CD2-CD1 4.14Å; L206-A230 HydrophobicContact CD1-CB 4.34Å; L206-A230 HydrophobicContact CD2-CB 3.49Å; L206-A230 VanDerWaalsContact CD2-CB 3.49Å; L206-I232 HydrophobicContact CD1-CD1 4.22Å
207Q91.9Very high88.2Confident134 Ų13462.9 Ų62.963%0.62638%0.378SS*.EExtended strand (participates in β ladder)trans-120.7-47.9-172.3-69.5172.19.100112.8Q205 R220Q205-Q207 WeakPolarHBondContact O-CG 3.29Å; Q205-Q207 PolarHBondContact O-N 3.25Å; Q207-R220 PolarHBondContact N-O 2.99Å
208I94Very high90Very high88 Ų8859 Ų5945%0.45135%0.349SS..EExtended strand (participates in β ladder)trans-124.1124.2-169.5-59.2171.4000109V210 W219 R220I208-V210 PolarHBondContact O-N 2.74Å; I208-W219 CarbonylContact O-C 3.58Å; I208-W219 WeakPolarHBondContact O-CA 3.46Å; I208-R220 HydrophobicContact CB-CB 4.33Å; I208-R220 PolarHBondContact N-O 2.71Å; I208-R220 PolarHBondContact O-N 2.58Å
209K94.8Very high91.3Very high86 Ų8659 Ų5937%0.37433%0.33SS..EExtended strand (participates in β ladder)trans-75114.7168.7-171.1172.9178.3177.30108.9S212 E217 L218 W219K209-S212 WeakPolarHBondContact CE-OG 3.42Å; K209-S212 PolarHBondContact NZ-OG 3.48Å; K209-E217 IonicContact NZ-OE1 2.75Å; K209-E217 PolarHBondContact NZ-OE1 2.94Å; K209-E217 IonicContact NZ-OE2 2.73Å; K209-L218 CarbonylContact C-O 3.43Å; K209-W219 HydrophobicContact CB-CD2 4.1Å; K209-W219 HydrophobicContact CB-CE3 4.12Å; K209-W219 HydrophobicContact CB-CH2 4.09Å; K209-W219 HydrophobicContact CB-CZ2 4.05Å; K209-W219 HydrophobicContact CB-CZ3 4.12Å; K209-W219 HydrophobicContact CD-CZ2 4Å; K209-W219 HydrophobicContact CG-CD2 4.39Å; K209-W219 HydrophobicContact CG-CZ2 4.2Å
210V91.8Very high91.9Very high75 Ų7561.9 Ų61.946%0.45534%0.34SS..EExtended strand (participates in β ladder)trans-81.2-48.5-178.1179.80000110.4I208 L218 R220I208-V210 PolarHBondContact O-N 2.74Å; V210-L218 HydrophobicContact CB-CB 4.28Å; V210-L218 HydrophobicContact CB-CD2 4.21Å; V210-L218 HydrophobicContact CB-CG 4.28Å; V210-L218 HydrophobicContact CG1-CD2 4.04Å; V210-L218 PolarHBondContact N-O 2.9Å; V210-R220 HydrophobicContact CG2-CB 3.84Å
211S90.9Very high92.2Very high54 Ų5459.2 Ų59.238%0.37833%0.326SS..EExtended strand (participates in β ladder)trans-153.5162.3179.768.40000112.2L218S211-L218 PolarHBondContact N-O 2.78Å; S211-L218 PolarHBondContact O-N 3.17Å; S211-L218 VanDerWaalsContact OG-CB 3.28Å; S211-L218 WeakPolarHBondContact OG-CB 3.43Å
212S92.5Very high92.2Very high81 Ų8158.5 Ų58.557%0.56633%0.325SS*.EExtended strand (participates in β ladder)trans-133.6126.1175.7-153.20000108.1K209K209-S212 WeakPolarHBondContact CE-OG 3.42Å; K209-S212 PolarHBondContact NZ-OG 3.48Å
213G88.2Confident92.1Very high33 Ų3354.9 Ų54.934%0.3429%0.294SS..EExtended strand (participates in β ladder)trans-141.2175.8179.300000112.4S215 G216G213-S215 PolarHBondContact O-N 3.02Å; G213-G216 PolarHBondContact N-O 3.11Å; G213-G216 PolarHBondContact O-N 3.32Å; G213-G216 VanDerWaalsContact O-N 3.15Å; G213-G216 VanDerWaalsContact O-O 3.07Å
214P87.5Confident91.5Very high66 Ų6653.4 Ų53.443%0.42929%0.288SS..THydrogen-bonded Turntrans-58.4-31.2178.5-24.334.6000113.3N234 Y360P214-N234 PolarHBondContact O-ND2 3.32Å; P214-Y360 HydrophobicContact CB-CD1 3.78Å; P214-Y360 HydrophobicContact CB-CD2 3.83Å; P214-Y360 HydrophobicContact CB-CE1 3.41Å; P214-Y360 VanDerWaalsContact CB-CE1 3.41Å; P214-Y360 HydrophobicContact CB-CE2 3.48Å; P214-Y360 VanDerWaalsContact CB-CE2 3.48Å; P214-Y360 HydrophobicContact CB-CG 3.97Å; P214-Y360 HydrophobicContact CG-CD1 3.57Å; P214-Y360 HydrophobicContact CG-CD2 4.3Å; P214-Y360 HydrophobicContact CG-CE1 3.6Å; P214-Y360 HydrophobicContact CG-CE2 4.33Å; P214-Y360 HydrophobicContact CG-CG 3.93Å
215S87.8Confident91Very high24 Ų2457 Ų5717%0.16832%0.324CS..THydrogen-bonded Turntrans-78.2-17.8-178.9-48.40000114.4G213 N234 K350 E355G213-S215 PolarHBondContact O-N 3.02Å; S215-N234 PolarHBondContact O-N 3.15Å; S215-K350 PolarHBondContact OG-NZ 3.37Å; S215-E355 WeakPolarHBondContact CA-OE1 3.42Å; S215-E355 WeakPolarHBondContact CB-OE1 3.42Å; S215-E355 PolarHBondContact OG-OE1 3.24Å
216G92.3Very high90.5Very high2 Ų252.3 Ų52.32%0.02130%0.303CS..EExtended strand (participates in β ladder)trans153.3179.2-168.100000114.5G213 I232G213-G216 PolarHBondContact N-O 3.11Å; G213-G216 PolarHBondContact O-N 3.32Å; G213-G216 VanDerWaalsContact O-N 3.15Å; G213-G216 VanDerWaalsContact O-O 3.07Å; G216-I232 CarbonylContact C-O 3.55Å; G216-I232 WeakPolarHBondContact CA-O 3.35Å
217E95.3Very high90.3Very high66 Ų6654.4 Ų54.431%0.30831%0.312SS..EExtended strand (participates in β ladder)trans-106143.5170.2-55.5-169.4153.900109.7K209 W219 R231 I232K209-E217 IonicContact NZ-OE1 2.75Å; K209-E217 PolarHBondContact NZ-OE1 2.94Å; K209-E217 IonicContact NZ-OE2 2.73Å; E217-W219 PolarHBondContact OE2-NE1 3.01Å; E217-R231 CarbonylContact O-C 3.59Å; E217-R231 WeakPolarHBondContact O-CA 3.44Å; E217-I232 PolarHBondContact N-O 2.67Å; E217-I232 PolarHBondContact O-N 3.31Å
218L95.3Very high90.4Very high25 Ų2548 Ų4813%0.13128%0.282CS..EExtended strand (participates in β ladder)trans-109.3124.9175.5-161.967.5000109K209 V210 S211 V229 R231K209-L218 CarbonylContact C-O 3.43Å; V210-L218 HydrophobicContact CB-CB 4.28Å; V210-L218 HydrophobicContact CB-CD2 4.21Å; V210-L218 HydrophobicContact CB-CG 4.28Å; V210-L218 HydrophobicContact CG1-CD2 4.04Å; V210-L218 PolarHBondContact N-O 2.9Å; S211-L218 PolarHBondContact N-O 2.78Å; S211-L218 PolarHBondContact O-N 3.17Å; S211-L218 VanDerWaalsContact OG-CB 3.28Å; S211-L218 WeakPolarHBondContact OG-CB 3.43Å; L218-V229 HydrophobicContact CD1-CG1 3.1Å; L218-V229 HydrophobicContact CD2-CG1 3.91Å; L218-V229 HydrophobicContact CG-CG1 3.39Å; L218-R231 HydrophobicContact CD1-CB 3.81Å; L218-R231 HydrophobicContact CD1-CG 4.4Å
219W96.6Very high90.4Very high62 Ų6244.5 Ų44.524%0.23527%0.265CS..EExtended strand (participates in β ladder)trans-123.7136.8-177.2-72.279.7000110.5L206 I208 K209 E217 V229 A230 I232L206-W219 HydrophobicContact CB-CB 4.32Å; L206-W219 HydrophobicContact CB-CE3 4.15Å; L206-W219 HydrophobicContact CD1-CB 4.05Å; L206-W219 HydrophobicContact CD1-CG 4.25Å; L206-W219 HydrophobicContact CD2-CB 3.98Å; L206-W219 HydrophobicContact CG-CB 4.34Å; I208-W219 CarbonylContact O-C 3.58Å; I208-W219 WeakPolarHBondContact O-CA 3.46Å; K209-W219 HydrophobicContact CB-CD2 4.1Å; K209-W219 HydrophobicContact CB-CE3 4.12Å; K209-W219 HydrophobicContact CB-CH2 4.09Å; K209-W219 HydrophobicContact CB-CZ2 4.05Å; K209-W219 HydrophobicContact CB-CZ3 4.12Å; K209-W219 HydrophobicContact CD-CZ2 4Å; K209-W219 HydrophobicContact CG-CD2 4.39Å; K209-W219 HydrophobicContact CG-CZ2 4.2Å; E217-W219 PolarHBondContact OE2-NE1 3.01Å; W219-V229 CarbonylContact O-C 3.36Å; W219-V229 VanDerWaalsContact O-CA 3.3Å; W219-V229 WeakPolarHBondContact O-CA 3.24Å; W219-A230 HydrophobicContact CB-CB 4.49Å; W219-A230 PolarHBondContact N-O 2.81Å; W219-A230 PolarHBondContact O-N 3.23Å; W219-I232 HydrophobicContact CG-CD1 4.42Å
220R95.5Very high90.5Very high62 Ų6240.4 Ų40.423%0.23425%0.247CC..EExtended strand (participates in β ladder)trans-88.8136.7166.5179.3180177.6177.65.2108.6Q207 I208 V210 E227 I228 Y280Q207-R220 PolarHBondContact N-O 2.99Å; I208-R220 HydrophobicContact CB-CB 4.33Å; I208-R220 PolarHBondContact N-O 2.71Å; I208-R220 PolarHBondContact O-N 2.58Å; V210-R220 HydrophobicContact CG2-CB 3.84Å; R220-E227 IonicContact CZ-OE1 3.07Å; R220-E227 IonicContact NE-OE1 3.64Å; R220-E227 PolarHBondContact NE-OE1 2.72Å; R220-E227 VanDerWaalsContact NH2-CD 3.27Å; R220-E227 IonicContact NH2-OE1 2.62Å; R220-E227 PolarHBondContact NH2-OE1 2.87Å; R220-E227 IonicContact NH2-OE2 3.03Å; R220-E227 PolarHBondContact NH2-OE2 3.41Å; R220-E227 VanDerWaalsContact NH2-OE2 3.12Å; R220-I228 WeakPolarHBondContact CA-O 3.35Å; R220-Y280 HydrophobicContact CG-CD2 4.45Å; R220-Y280 PolarHBondContact NH1-OH 3.24Å
221G94.1Very high90.6Very high2 Ų238.9 Ų38.92%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-154.5-169.217600000111.5Q205 I228Q205-G221 VanDerWaalsContact O-CA 3.31Å; Q205-G221 WeakPolarHBondContact O-CA 3.37Å; G221-I228 PolarHBondContact N-O 2.85Å; G221-I228 PolarHBondContact O-N 3.07Å
222S91.7Very high90.9Very high24 Ų2437.6 Ų37.617%0.16822%0.221CC..EExtended strand (participates in β ladder)trans-127.4129.2175.446.20000110.5L204 Q205 N226L204-S222 CarbonylContact C-O 3.57Å; L204-S222 CarbonylContact O-C 3.54Å; L204-S222 PolarHBondContact O-N 3.08Å; L204-S222 VanDerWaalsContact O-N 3.14Å; Q205-S222 WeakPolarHBondContact CB-O 3.49Å; Q205-S222 PolarHBondContact O-N 3.46Å; Q205-S222 PolarHBondContact OE1-OG 2.93Å; S222-N226 CarbonylContact C-O 3.43Å; S222-N226 VanDerWaalsContact CA-O 3.3Å; S222-N226 WeakPolarHBondContact CA-O 3.39Å
223W87.5Confident91Very high2 Ų234.1 Ų34.11%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-131.1124.6175.4-178.457000109.5L193 Y196 V199 L204 G225 N226 I228 T266L193-W223 HydrophobicContact CB-CZ3 3.85Å; L193-W223 HydrophobicContact CD2-CD2 4.27Å; L193-W223 HydrophobicContact CD2-CE3 3.29Å; L193-W223 HydrophobicContact CD2-CH2 4.36Å; L193-W223 HydrophobicContact CD2-CZ3 3.35Å; L193-W223 HydrophobicContact CG-CZ3 4.22Å; L193-W223 VanDerWaalsContact O-CH2 3.29Å; L193-W223 WeakPolarHBondContact O-CH2 3.5Å; L193-W223 WeakPolarHBondContact O-CZ3 3.41Å; Y196-W223 HydrophobicContact CD2-CZ2 4.46Å; V199-W223 HydrophobicContact CG1-CZ2 4.22Å; V199-W223 HydrophobicContact CG2-CH2 4.13Å; V199-W223 HydrophobicContact CG2-CZ2 3.5Å; L204-W223 HydrophobicContact CD2-CB 3.91Å; L204-W223 HydrophobicContact CD2-CD2 4.27Å; L204-W223 HydrophobicContact CD2-CG 3.74Å; W223-G225 PolarHBondContact O-N 2.94Å; W223-N226 PolarHBondContact N-O 2.94Å; W223-N226 PolarHBondContact O-N 3.22Å; W223-I228 HydrophobicContact CB-CG1 3.89Å; W223-I228 HydrophobicContact CB-CG2 4.21Å; W223-T266 HydrophobicContact CD2-CG2 4.46Å; W223-T266 HydrophobicContact CE3-CG2 3.91Å; W223-T266 HydrophobicContact CH2-CG2 3.69Å; W223-T266 HydrophobicContact CZ2-CG2 4.22Å; W223-T266 HydrophobicContact CZ3-CG2 3.49Å; W223-T266 VanDerWaalsContact CZ3-CG2 3.49Å
224Q78.6Confident91.3Very high67 Ų6737.6 Ų37.631%0.31321%0.207SC..THydrogen-bonded Turntrans51.241.8-176.5-60.2-176.8-15.400113.2T192 N226T192-Q224 PolarHBondContact O-OE1 3.47Å; Q224-N226 PolarHBondContact O-N 3.17Å; Q224-N226 PolarHBondContact O-ND2 3.36Å
225G78Confident91.5Very high75 Ų7536.3 Ų36.377%0.77320%0.197SC*.THydrogen-bonded Turntrans78.1-6.8179.900000115.3W223W223-G225 PolarHBondContact O-N 2.94Å
226N81.9Confident91.6Very high23 Ų2346.1 Ų46.112%0.12323%0.23CC..EExtended strand (participates in β ladder)trans-97.1142.3178.3-65.7-63.7000111.5D190 L193 S222 W223 Q224 I228D190-N226 WeakPolarHBondContact CB-ND2 3.41Å; D190-N226 PolarHBondContact O-ND2 2.67Å; L193-N226 HydrophobicContact CD1-CB 4.36Å; L193-N226 HydrophobicContact CD2-CB 4.27Å; S222-N226 CarbonylContact C-O 3.43Å; S222-N226 VanDerWaalsContact CA-O 3.3Å; S222-N226 WeakPolarHBondContact CA-O 3.39Å; W223-N226 PolarHBondContact N-O 2.94Å; W223-N226 PolarHBondContact O-N 3.22Å; Q224-N226 PolarHBondContact O-N 3.17Å; Q224-N226 PolarHBondContact O-ND2 3.36Å; N226-I228 PolarHBondContact O-N 3.07Å
227E90.8Very high91.6Very high91 Ų9152.6 Ų52.643%0.42526%0.26SS..EExtended strand (participates in β ladder)trans-72125.1170.2-63.8-148.585.200110.6R220 Y280R220-E227 IonicContact CZ-OE1 3.07Å; R220-E227 IonicContact NE-OE1 3.64Å; R220-E227 PolarHBondContact NE-OE1 2.72Å; R220-E227 VanDerWaalsContact NH2-CD 3.27Å; R220-E227 IonicContact NH2-OE1 2.62Å; R220-E227 PolarHBondContact NH2-OE1 2.87Å; R220-E227 IonicContact NH2-OE2 3.03Å; R220-E227 PolarHBondContact NH2-OE2 3.41Å; R220-E227 VanDerWaalsContact NH2-OE2 3.12Å; E227-Y280 HydrophobicContact CB-CD1 4.25Å; E227-Y280 PolarHBondContact O-N 2.9Å
228I93.2Very high91.5Very high0 Ų050.6 Ų50.60%025%0.252CS..EExtended strand (participates in β ladder)trans-127162.7-176.962.577000111.5L204 L206 R220 G221 W223 N226 A230 L265 V277 S278L204-I228 HydrophobicContact CB-CD1 4.47Å; L206-I228 HydrophobicContact CD2-CD1 4.14Å; R220-I228 WeakPolarHBondContact CA-O 3.35Å; G221-I228 PolarHBondContact N-O 2.85Å; G221-I228 PolarHBondContact O-N 3.07Å; W223-I228 HydrophobicContact CB-CG1 3.89Å; W223-I228 HydrophobicContact CB-CG2 4.21Å; N226-I228 PolarHBondContact O-N 3.07Å; I228-A230 HydrophobicContact CD1-CB 4.08Å; I228-L265 HydrophobicContact CG2-CD1 4.27Å; I228-V277 HydrophobicContact CB-CG1 3.75Å; I228-V277 HydrophobicContact CD1-CG1 4.07Å; I228-V277 HydrophobicContact CG1-CG1 4Å; I228-V277 HydrophobicContact CG2-CG1 4.04Å; I228-S278 WeakPolarHBondContact CA-O 3.16Å
229V94.8Very high91.5Very high15 Ų1551.5 Ų51.59%0.09126%0.258CS..EExtended strand (participates in β ladder)trans-117.1128.7166171.70000108.6L218 W219 V277 S278 Y280L218-V229 HydrophobicContact CD1-CG1 3.1Å; L218-V229 HydrophobicContact CD2-CG1 3.91Å; L218-V229 HydrophobicContact CG-CG1 3.39Å; W219-V229 CarbonylContact O-C 3.36Å; W219-V229 VanDerWaalsContact O-CA 3.3Å; W219-V229 WeakPolarHBondContact O-CA 3.24Å; V229-V277 CarbonylContact O-C 3.47Å; V229-V277 WeakPolarHBondContact O-CA 3.28Å; V229-S278 PolarHBondContact N-O 2.86Å; V229-S278 PolarHBondContact O-N 2.89Å; V229-Y280 HydrophobicContact CG2-CD2 3.55Å; V229-Y280 HydrophobicContact CG2-CG 4.25Å
230A95.5Very high91.4Very high0 Ų054 Ų540%028%0.283CS..EExtended strand (participates in β ladder)trans-111116.7178.400000109.4L204 L206 W219 I228 V275L204-A230 HydrophobicContact CD1-CB 4.04Å; L206-A230 HydrophobicContact CD1-CB 4.34Å; L206-A230 HydrophobicContact CD2-CB 3.49Å; L206-A230 VanDerWaalsContact CD2-CB 3.49Å; W219-A230 HydrophobicContact CB-CB 4.49Å; W219-A230 PolarHBondContact N-O 2.81Å; W219-A230 PolarHBondContact O-N 3.23Å; I228-A230 HydrophobicContact CD1-CB 4.08Å; A230-V275 HydrophobicContact CB-CG1 3.7Å
231R95.5Very high91.4Very high42 Ų4259.1 Ų59.116%0.15830%0.302CS..EExtended strand (participates in β ladder)trans-94.6106.8172.8-179.7178.8-63.9-60.1-0.1108.9E217 L218 L233 V275 T276 D348E217-R231 CarbonylContact O-C 3.59Å; E217-R231 WeakPolarHBondContact O-CA 3.44Å; L218-R231 HydrophobicContact CD1-CB 3.81Å; L218-R231 HydrophobicContact CD1-CG 4.4Å; R231-L233 HydrophobicContact CG-CD2 4.21Å; R231-V275 VanDerWaalsContact O-CA 3.29Å; R231-V275 WeakPolarHBondContact O-CA 3.31Å; R231-T276 PolarHBondContact N-O 3.16Å; R231-T276 PolarHBondContact O-N 3.33Å; R231-D348 IonicContact CZ-OD1 2.64Å; R231-D348 IonicContact NE-OD1 3.7Å; R231-D348 PolarHBondContact NE-OD1 2.94Å; R231-D348 IonicContact NH2-OD1 3.86Å; R231-D348 PolarHBondContact NH2-OD1 2.7Å; R231-D348 IonicContact NH2-OD2 3.32Å
232I95.9Very high91.5Very high27 Ų2760.4 Ų60.414%0.13831%0.308CS..EExtended strand (participates in β ladder)trans-83.7116.4175-52.4179.7000107.8I201 L206 G216 E217 W219 V275I201-I232 HydrophobicContact CD1-CD1 4.43Å; L206-I232 HydrophobicContact CD1-CD1 4.22Å; G216-I232 CarbonylContact C-O 3.55Å; G216-I232 WeakPolarHBondContact CA-O 3.35Å; E217-I232 PolarHBondContact N-O 2.67Å; E217-I232 PolarHBondContact O-N 3.31Å; W219-I232 HydrophobicContact CG-CD1 4.42Å; I232-V275 HydrophobicContact CB-CG2 4.48Å; I232-V275 HydrophobicContact CG1-CG1 4.3Å; I232-V275 HydrophobicContact CG1-CG2 4.03Å; I232-V275 HydrophobicContact CG2-CG2 4.45Å
233L95.4Very high91.6Very high9 Ų960.4 Ų60.45%0.04731%0.308CS..EExtended strand (participates in β ladder)trans-70.8130.5-175.8-54.5-170.2000110.9R231 L235 F246 L274 F351 F353R231-L233 HydrophobicContact CG-CD2 4.21Å; L233-L235 HydrophobicContact CB-CD1 4.35Å; L233-L235 HydrophobicContact CB-CG 4.3Å; L233-L235 PolarHBondContact O-N 3.21Å; L233-F246 HydrophobicContact CD1-CD2 4.21Å; L233-F246 HydrophobicContact CD1-CE2 3.91Å; L233-L274 HydrophobicContact CB-CB 4.33Å; L233-L274 HydrophobicContact CD1-CB 4.03Å; L233-L274 HydrophobicContact CG-CB 4.21Å; L233-L274 WeakPolarHBondContact CG-O 3.31Å; L233-L274 PolarHBondContact N-O 3.4Å; L233-F351 HydrophobicContact CD1-CD2 3.76Å; L233-F351 HydrophobicContact CD1-CE2 3.99Å; L233-F353 HydrophobicContact CD1-CE2 4.18Å; L233-F353 HydrophobicContact CD1-CZ 4.38Å
234N93.1Very high91.8Very high105 Ų10566.5 Ų66.556%0.56133%0.331SS*.  trans-84102.6175.7-174.813.9000110.5P214 S215P214-N234 PolarHBondContact O-ND2 3.32Å; S215-N234 PolarHBondContact O-N 3.15Å
235L92.2Very high92.5Very high39 Ų3964.4 Ų64.420%0.20432%0.322CS..  trans-126.2139179.5-61.1171.7000109.8L233 E237 V238 I242 L274 F353 Q354L233-L235 HydrophobicContact CB-CD1 4.35Å; L233-L235 HydrophobicContact CB-CG 4.3Å; L233-L235 PolarHBondContact O-N 3.21Å; L235-E237 VanDerWaalsContact C-N 3.31Å; L235-E237 PolarHBondContact O-N 3.38Å; L235-V238 HydrophobicContact CB-CG2 4.18Å; L235-V238 HydrophobicContact CD1-CG2 3.95Å; L235-I242 HydrophobicContact CD1-CG2 4.03Å; L235-L274 HydrophobicContact CD1-CD1 3.79Å; L235-L274 HydrophobicContact CD1-CG 4.35Å; L235-F353 HydrophobicContact CD1-CD2 4.12Å; L235-F353 HydrophobicContact CD1-CE2 3.76Å; L235-F353 HydrophobicContact CD2-CD2 3.94Å; L235-F353 HydrophobicContact CD2-CE2 4.16Å; L235-Q354 HydrophobicContact CD2-CG 4.29Å
236R89.6Confident93.3Very high230 Ų23060.8 Ų60.887%0.86829%0.285SS*.SBendtrans-63.9-38.2177.4-71.2-178175.2-179.4-4.6112.4
237E92.4Very high93.6Very high139 Ų13963.7 Ų63.765%0.6530%0.298SS*.  trans-152.6138.5-180-176-177.1-177.700108.4L235 T239 I242L235-E237 VanDerWaalsContact C-N 3.31Å; L235-E237 PolarHBondContact O-N 3.38Å; E237-T239 HydrophobicContact CG-CG2 4.19Å; E237-I242 WeakPolarHBondContact O-CD1 3.36Å
238V94Very high93.5Very high23 Ų2365 Ų6514%0.13930%0.304CS..  trans-106.491.2174.5-1770000108.6L235 I242 P271 P272 L274L235-V238 HydrophobicContact CB-CG2 4.18Å; L235-V238 HydrophobicContact CD1-CG2 3.95Å; V238-I242 HydrophobicContact CG1-CG2 4.17Å; V238-P271 HydrophobicContact CB-CB 4.09Å; V238-P271 HydrophobicContact CB-CG 4.48Å; V238-P271 HydrophobicContact CG1-CB 3.94Å; V238-P271 HydrophobicContact CG1-CG 3.79Å; V238-P272 WeakPolarHBondContact CG2-O 3.48Å; V238-L274 HydrophobicContact CG1-CD1 3.96Å; V238-L274 HydrophobicContact CG1-CD2 4.02Å; V238-L274 HydrophobicContact CG1-CG 3.99Å; V238-L274 HydrophobicContact CG2-CG 4.28Å
239T95.5Very high93.4Very high44 Ų4467.1 Ų67.127%0.2731%0.314SS..  trans-71.7159.4175.6650000111.1E237 R241 I242 S243E237-T239 HydrophobicContact CG-CG2 4.19Å; T239-R241 PolarHBondContact O-N 3.34Å; T239-R241 VanDerWaalsContact O-N 3.12Å; T239-I242 WeakPolarHBondContact O-CB 3.35Å; T239-I242 PolarHBondContact O-N 2.94Å; T239-I242 WeakPolarHBondContact OG1-CG1 3.37Å; T239-I242 PolarHBondContact OG1-N 2.94Å; T239-S243 PolarHBondContact O-N 3.43Å
240P94.5Very high93.2Very high116 Ų11667.5 Ų67.575%0.75331%0.314SS*.Hα-helixtrans-55.1-31.9174.1-27.235.2000113.4R244P240-R244 PolarHBondContact O-N 3.28Å
241R95.4Very high92.8Very high168 Ų16869 Ų6963%0.63432%0.324SS*.Hα-helixtrans-64.6-48.1173.6177172.9-176.9169.85.1111.8T239 S243 R244 D245T239-R241 PolarHBondContact O-N 3.34Å; T239-R241 VanDerWaalsContact O-N 3.12Å; R241-S243 VanDerWaalsContact C-N 3.3Å; R241-S243 PolarHBondContact O-N 3.23Å; R241-R244 PolarHBondContact O-N 3.26Å; R241-D245 WeakPolarHBondContact CG-OD2 3.22Å; R241-D245 IonicContact NE-OD2 2.65Å; R241-D245 WeakPolarHBondContact O-CB 3.39Å; R241-D245 PolarHBondContact O-N 2.99Å
242I95.4Very high92.4Very high29 Ų2973.6 Ų73.615%0.14934%0.341CS..Hα-helixtrans-60.6-43.3177.8-70.5170.5000110.4L235 E237 V238 T239 R244 D245 F246 L274 F353L235-I242 HydrophobicContact CD1-CG2 4.03Å; E237-I242 WeakPolarHBondContact O-CD1 3.36Å; V238-I242 HydrophobicContact CG1-CG2 4.17Å; T239-I242 WeakPolarHBondContact O-CB 3.35Å; T239-I242 PolarHBondContact O-N 2.94Å; T239-I242 WeakPolarHBondContact OG1-CG1 3.37Å; T239-I242 PolarHBondContact OG1-N 2.94Å; I242-R244 PolarHBondContact O-N 3.42Å; I242-D245 PolarHBondContact O-N 3.48Å; I242-F246 VanDerWaalsContact O-CB 3.31Å; I242-F246 WeakPolarHBondContact O-CB 3.3Å; I242-F246 PolarHBondContact O-N 3.47Å; I242-L274 HydrophobicContact CG2-CD1 3.77Å; I242-F353 HydrophobicContact CB-CG 4.48Å; I242-F353 HydrophobicContact CG1-CB 4.11Å; I242-F353 HydrophobicContact CG1-CG 4.23Å; I242-F353 HydrophobicContact CG2-CD1 3.98Å; I242-F353 HydrophobicContact CG2-CD2 3.76Å; I242-F353 HydrophobicContact CG2-CE1 4.04Å; I242-F353 HydrophobicContact CG2-CE2 3.85Å; I242-F353 HydrophobicContact CG2-CG 3.83Å; I242-F353 HydrophobicContact CG2-CZ 3.97Å
243S93.4Very high92.3Very high24 Ų2472.8 Ų72.817%0.16834%0.337CS..Hα-helixtrans-59.4-45.7176.1178.30000111.6T239 R241 Q247 N269T239-S243 PolarHBondContact O-N 3.43Å; R241-S243 VanDerWaalsContact C-N 3.3Å; R241-S243 PolarHBondContact O-N 3.23Å; S243-Q247 PolarHBondContact O-N 3.43Å; S243-Q247 VanDerWaalsContact O-N 3.16Å; S243-N269 PolarHBondContact O-ND2 3.34Å; S243-N269 PolarHBondContact OG-ND2 3.02Å; S243-N269 PolarHBondContact OG-OD1 3.47Å
244R92.6Very high92Very high130 Ų13074 Ų7449%0.49134%0.341SS..Hα-helixtrans-64-49.2175.4-176.7-170.260.8-152.4-5.1112.3P240 R241 I242 F246 Q247 E248P240-R244 PolarHBondContact O-N 3.28Å; R241-R244 PolarHBondContact O-N 3.26Å; I242-R244 PolarHBondContact O-N 3.42Å; R244-F246 VanDerWaalsContact C-N 3.26Å; R244-F246 PolarHBondContact O-N 2.87Å; R244-Q247 PolarHBondContact O-N 3.31Å; R244-E248 WeakPolarHBondContact CD-OE1 3.33Å; R244-E248 HydrophobicContact CG-CG 4.39Å; R244-E248 VanDerWaalsContact CG-OE1 3.3Å; R244-E248 WeakPolarHBondContact CG-OE1 3.42Å; R244-E248 IonicContact NE-OE1 3.97Å; R244-E248 WeakPolarHBondContact O-CG 3.47Å; R244-E248 PolarHBondContact O-N 3.27Å
245D93.7Very high91.8Very high23 Ų2369 Ų6912%0.12331%0.314CS..Hα-helixtrans-60.2-38.3-178.8-62.3-3.1000110.2R241 I242 E248 E249 F353R241-D245 WeakPolarHBondContact CG-OD2 3.22Å; R241-D245 IonicContact NE-OD2 2.65Å; R241-D245 WeakPolarHBondContact O-CB 3.39Å; R241-D245 PolarHBondContact O-N 2.99Å; I242-D245 PolarHBondContact O-N 3.48Å; D245-E248 PolarHBondContact O-N 3.5Å; D245-E249 VanDerWaalsContact O-CB 3.31Å; D245-E249 WeakPolarHBondContact O-CB 3.5Å; D245-E249 VanDerWaalsContact O-CG 3.31Å; D245-E249 WeakPolarHBondContact O-CG 3.23Å; D245-E249 PolarHBondContact O-N 2.95Å; D245-F353 HydrophobicContact CB-CD1 4.11Å; D245-F353 HydrophobicContact CB-CE1 4.36Å
246F93.5Very high91.6Very high0 Ų067.9 Ų67.90%031%0.308CS..Hα-helixtrans-61.2-44.7173.2179.7-111.5000112.3L233 I242 R244 E248 E249 Y250 C267 N269 L274 T276 F351 F353L233-F246 HydrophobicContact CD1-CD2 4.21Å; L233-F246 HydrophobicContact CD1-CE2 3.91Å; I242-F246 VanDerWaalsContact O-CB 3.31Å; I242-F246 WeakPolarHBondContact O-CB 3.3Å; I242-F246 PolarHBondContact O-N 3.47Å; R244-F246 VanDerWaalsContact C-N 3.26Å; R244-F246 PolarHBondContact O-N 2.87Å; F246-E248 VanDerWaalsContact C-N 3.32Å; F246-E248 PolarHBondContact O-N 3.27Å; F246-E249 PolarHBondContact O-N 2.92Å; F246-Y250 WeakPolarHBondContact O-CB 3.45Å; F246-Y250 PolarHBondContact O-N 2.85Å; F246-C267 HydrophobicContact CE1-CB 3.71Å; F246-C267 HydrophobicContact CZ-CB 3.69Å; F246-N269 HydrophobicContact CD1-CB 4Å; F246-N269 HydrophobicContact CE1-CB 4.16Å; F246-L274 HydrophobicContact CB-CD1 3.99Å; F246-L274 HydrophobicContact CD1-CB 4.42Å; F246-L274 HydrophobicContact CD1-CD1 4.3Å; F246-L274 HydrophobicContact CD1-CD2 4.05Å; F246-L274 HydrophobicContact CD2-CD1 4.32Å; F246-L274 HydrophobicContact CE1-CB 4.25Å; F246-L274 HydrophobicContact CE1-CD2 4.37Å; F246-L274 HydrophobicContact CE2-CB 4.33Å; F246-L274 HydrophobicContact CG-CD1 3.97Å; F246-L274 HydrophobicContact CZ-CB 4.19Å; F246-T276 HydrophobicContact CE2-CG2 3.95Å; F246-T276 HydrophobicContact CZ-CG2 4.11Å; F246-F351 AromaticContact CD2-CD1 3.89Å; F246-F351 HydrophobicContact CD2-CD1 3.89Å; F246-F351 HydrophobicContact CD2-CD2 4.03Å; F246-F351 AromaticContact CD2-CE1 3.57Å; F246-F351 HydrophobicContact CD2-CE1 3.57Å; F246-F351 AromaticContact CD2-CE2 3.76Å; F246-F351 HydrophobicContact CD2-CE2 3.76Å; F246-F351 HydrophobicContact CD2-CG 4.12Å; F246-F351 AromaticContact CD2-CZ 3.52Å; F246-F351 HydrophobicContact CD2-CZ 3.52Å; F246-F351 HydrophobicContact CE2-CD2 4.15Å; F246-F351 AromaticContact CE2-CE1 3.89Å; F246-F351 HydrophobicContact CE2-CE1 3.89Å; F246-F351 AromaticContact CE2-CE2 3.48Å; F246-F351 HydrophobicContact CE2-CE2 3.48Å; F246-F351 VanDerWaalsContact CE2-CE2 3.48Å; F246-F351 AromaticContact CE2-CZ 3.32Å; F246-F351 HydrophobicContact CE2-CZ 3.32Å; F246-F351 HydrophobicContact CZ-CZ 4.44Å; F246-F353 HydrophobicContact CB-CE1 3.82Å; F246-F353 HydrophobicContact CB-CZ 3.84Å; F246-F353 AromaticContact CD2-CZ 3.95Å; F246-F353 HydrophobicContact CD2-CZ 3.95Å; F246-F353 HydrophobicContact CG-CZ 4.33Å
247Q88.9Confident91.3Very high83 Ų8357.1 Ų57.139%0.38827%0.268SS..Hα-helixtrans-69.4-30.2-179-147.3125.238.300112.8S243 R244 Y250 P251 N269S243-Q247 PolarHBondContact O-N 3.43Å; S243-Q247 VanDerWaalsContact O-N 3.16Å; R244-Q247 PolarHBondContact O-N 3.31Å; Q247-Y250 HydrophobicContact CG-CE1 4.44Å; Q247-Y250 WeakPolarHBondContact O-CD1 3.34Å; Q247-P251 WeakPolarHBondContact O-CD 3.49Å; Q247-N269 VanDerWaalsContact CD-ND2 3.31Å; Q247-N269 PolarHBondContact OE1-ND2 2.89Å
248E88.8Confident91.2Very high119 Ų11951.9 Ų51.956%0.55624%0.243SC*.Hα-helixtrans-78.2-34175.4-71.8176.2-171.300112.7R244 D245 F246R244-E248 WeakPolarHBondContact CD-OE1 3.33Å; R244-E248 HydrophobicContact CG-CG 4.39Å; R244-E248 VanDerWaalsContact CG-OE1 3.3Å; R244-E248 WeakPolarHBondContact CG-OE1 3.42Å; R244-E248 IonicContact NE-OE1 3.97Å; R244-E248 WeakPolarHBondContact O-CG 3.47Å; R244-E248 PolarHBondContact O-N 3.27Å; D245-E248 PolarHBondContact O-N 3.5Å; F246-E248 VanDerWaalsContact C-N 3.32Å; F246-E248 PolarHBondContact O-N 3.27Å
249E91.6Very high91Very high45 Ų4553.1 Ų53.121%0.2125%0.252CS..Hα-helixtrans-87.8-37.5-174.3-75178.2-143.900113.9D245 F246 R252 F351 S352D245-E249 VanDerWaalsContact O-CB 3.31Å; D245-E249 WeakPolarHBondContact O-CB 3.5Å; D245-E249 VanDerWaalsContact O-CG 3.31Å; D245-E249 WeakPolarHBondContact O-CG 3.23Å; D245-E249 PolarHBondContact O-N 2.95Å; F246-E249 PolarHBondContact O-N 2.92Å; E249-R252 WeakPolarHBondContact O-CB 3.46Å; E249-R252 PolarHBondContact O-N 3.48Å; E249-F351 HydrophobicContact CB-CD1 3.72Å; E249-F351 HydrophobicContact CB-CE1 3.99Å; E249-F351 WeakPolarHBondContact OE2-CA 3.43Å; E249-S352 WeakPolarHBondContact OE1-CB 3.49Å; E249-S352 PolarHBondContact OE1-OG 3.24Å; E249-S352 PolarHBondContact OE2-N 3.38Å
250Y89.3Confident91Very high22 Ų2251.4 Ų51.49%0.08624%0.241CC..G310 helixtrans-62.2-31.3-17395.7-83.6000115.5F246 Q247 R252 L253 R254 V264 C267F246-Y250 WeakPolarHBondContact O-CB 3.45Å; F246-Y250 PolarHBondContact O-N 2.85Å; Q247-Y250 HydrophobicContact CG-CE1 4.44Å; Q247-Y250 WeakPolarHBondContact O-CD1 3.34Å; Y250-R252 PolarHBondContact O-N 3.03Å; Y250-R252 VanDerWaalsContact O-N 3.15Å; Y250-L253 WeakPolarHBondContact O-CB 3.12Å; Y250-L253 PolarHBondContact O-N 3.02Å; Y250-R254 HydrophobicContact CD2-CG 4.43Å; Y250-R254 HydrophobicContact CE2-CG 4.4Å; Y250-V264 HydrophobicContact CD2-CG1 4.4Å; Y250-C267 HydrophobicContact CD1-CB 4.48Å; Y250-C267 VanDerWaalsContact CD1-SG 3.53Å; Y250-C267 HydrophobicContact CD2-CB 3.86Å; Y250-C267 WeakPolarHBondContact CE1-SG 3.3Å; Y250-C267 HydrophobicContact CE2-CB 4.15Å; Y250-C267 HydrophobicContact CG-CB 4.04Å
251P87.4Confident91Very high31 Ų3146.2 Ų46.220%0.20121%0.207CC..G310 helixtrans-59-31.4-178.6-25.237.5000112.1Q247 L253 R254Q247-P251 WeakPolarHBondContact O-CD 3.49Å; P251-L253 PolarHBondContact O-N 3.12Å; P251-L253 VanDerWaalsContact O-N 3.11Å; P251-R254 WeakPolarHBondContact O-CB 3.36Å; P251-R254 WeakPolarHBondContact O-CG 3.28Å; P251-R254 PolarHBondContact O-N 2.72Å
252R88.3Confident91Very high140 Ų14038.3 Ų38.353%0.52818%0.178SC..G310 helixtrans-64.3-17.1176.8-58.1-177.9179.8-171.3-0.6114.1E249 Y250 I324E249-R252 WeakPolarHBondContact O-CB 3.46Å; E249-R252 PolarHBondContact O-N 3.48Å; Y250-R252 PolarHBondContact O-N 3.03Å; Y250-R252 VanDerWaalsContact O-N 3.15Å; R252-I324 WeakPolarHBondContact O-CD1 3.32Å
253L92.3Very high90.8Very high10 Ų1038 Ų385%0.05218%0.177CC..G310 helixtrans-91.4-3.4178.9-53.8-178.9000112.2Y250 P251 I255 V264 I324 M346 T349 F351Y250-L253 WeakPolarHBondContact O-CB 3.12Å; Y250-L253 PolarHBondContact O-N 3.02Å; P251-L253 PolarHBondContact O-N 3.12Å; P251-L253 VanDerWaalsContact O-N 3.11Å; L253-I255 PolarHBondContact O-N 3.33Å; L253-I255 VanDerWaalsContact O-N 3.08Å; L253-V264 HydrophobicContact CB-CB 3.99Å; L253-V264 HydrophobicContact CB-CG2 3.59Å; L253-V264 HydrophobicContact CD1-CG2 4.2Å; L253-V264 PolarHBondContact O-N 3Å; L253-I324 HydrophobicContact CD2-CG2 4.49Å; L253-M346 HydrophobicContact CB-CB 4.09Å; L253-M346 WeakPolarHBondContact O-CB 3.38Å; L253-T349 HydrophobicContact CD2-CG2 3.85Å; L253-F351 HydrophobicContact CD1-CE1 4.17Å; L253-F351 HydrophobicContact CD1-CZ 3.82Å
254R90.6Very high90.7Very high34 Ų3436.8 Ų36.813%0.12817%0.169CC..  trans-8660.1-179.6-56.6-177.565.9-154.5-4.4111.1V34 E35 S194 Y250 P251 F256 V264V34-R254 VanDerWaalsContact O-O 3.12Å; E35-R254 WeakPolarHBondContact CA-O 3.48Å; S194-R254 VanDerWaalsContact CA-NH2 3.27Å; S194-R254 PolarHBondContact O-NH2 2.8Å; Y250-R254 HydrophobicContact CD2-CG 4.43Å; Y250-R254 HydrophobicContact CE2-CG 4.4Å; P251-R254 WeakPolarHBondContact O-CB 3.36Å; P251-R254 WeakPolarHBondContact O-CG 3.28Å; P251-R254 PolarHBondContact O-N 2.72Å; R254-F256 HydrophobicContact CB-CE2 3.82Å; R254-F256 VanDerWaalsContact O-CD2 3.23Å; R254-F256 WeakPolarHBondContact O-CD2 3.46Å; R254-F256 WeakPolarHBondContact O-CE2 3.34Å; R254-V264 WeakPolarHBondContact CG-O 3.31Å
255I89.1Confident90.6Very high1 Ų131 Ų311%0.00515%0.148CC..  trans-96.699-172.4-60.9167.2000109.9V34 L253 V261 P263 F316 L317 L320 I324 M346V34-I255 HydrophobicContact CB-CG2 4.42Å; V34-I255 HydrophobicContact CG2-CG1 4.43Å; L253-I255 PolarHBondContact O-N 3.33Å; L253-I255 VanDerWaalsContact O-N 3.08Å; I255-V261 HydrophobicContact CB-CG1 3.98Å; I255-V261 HydrophobicContact CG2-CB 4.46Å; I255-V261 HydrophobicContact CG2-CG1 3.93Å; I255-P263 WeakPolarHBondContact O-CB 3.37Å; I255-F316 HydrophobicContact CG2-CE1 3.6Å; I255-F316 HydrophobicContact CG2-CZ 4.25Å; I255-L317 HydrophobicContact CD1-CD2 3.84Å; I255-L320 HydrophobicContact CD1-CD1 3.72Å; I255-I324 HydrophobicContact CD1-CD1 3.95Å; I255-I324 HydrophobicContact CD1-CG1 4.13Å; I255-M346 HydrophobicContact CD1-CG 4.3Å; I255-M346 HydrophobicContact CD1-SD 3.89Å
256F86.5Confident90.3Very high15 Ų1530 Ų307%0.06614%0.143CC..  trans-97.6-12.8-176.1-62.7-85.7000114V34 E35 D37 R254 H258 P263 L265V34-F256 PolarHBondContact O-N 3.09Å; E35-F256 WeakPolarHBondContact O-CD2 3.43Å; D37-F256 HydrophobicContact CB-CB 4.1Å; D37-F256 HydrophobicContact CB-CD1 3.69Å; D37-F256 HydrophobicContact CB-CD2 4Å; D37-F256 HydrophobicContact CB-CE1 4.09Å; D37-F256 HydrophobicContact CB-CE2 4.33Å; D37-F256 HydrophobicContact CB-CG 3.67Å; D37-F256 HydrophobicContact CB-CZ 4.4Å; R254-F256 HydrophobicContact CB-CE2 3.82Å; R254-F256 VanDerWaalsContact O-CD2 3.23Å; R254-F256 WeakPolarHBondContact O-CD2 3.46Å; R254-F256 WeakPolarHBondContact O-CE2 3.34Å; F256-H258 VanDerWaalsContact C-N 3.26Å; F256-H258 PolarHBondContact O-N 2.83Å; F256-P263 HydrophobicContact CD1-CB 3.87Å; F256-P263 HydrophobicContact CD1-CG 3.47Å; F256-P263 VanDerWaalsContact CD1-CG 3.47Å; F256-P263 HydrophobicContact CE1-CB 3.75Å; F256-P263 HydrophobicContact CE1-CG 3.5Å; F256-P263 VanDerWaalsContact CE1-CG 3.5Å; F256-P263 HydrophobicContact CE2-CB 4.49Å; F256-P263 HydrophobicContact CG-CB 4.28Å; F256-P263 HydrophobicContact CG-CG 4.24Å; F256-P263 HydrophobicContact CZ-CB 4.07Å; F256-P263 HydrophobicContact CZ-CG 4.31Å; F256-L265 HydrophobicContact CE1-CD2 3.96Å; F256-L265 HydrophobicContact CZ-CD2 4.49Å
257S84.9Confident90.2Very high4 Ų430.2 Ų30.23%0.02814%0.144CC..SBendtrans-85.320.2-167.766.50000114.9V34 R67 F316V34-S257 WeakPolarHBondContact CG1-OG 3.48Å; R67-S257 WeakPolarHBondContact CD-O 3.34Å; R67-S257 CarbonylContact O-C 3.55Å; S257-F316 VanDerWaalsContact OG-CZ 3.3Å; S257-F316 WeakPolarHBondContact OG-CZ 3.36Å
258H90.1Very high90.3Very high29 Ų2926.2 Ų26.213%0.13413%0.125CC..  trans-147.5133.2178.9-166.1-88000113.1R67 F256 N260 V261 F316R67-H258 PolarHBondContact O-N 2.99Å; R67-H258 VanDerWaalsContact O-N 3.16Å; F256-H258 VanDerWaalsContact C-N 3.26Å; F256-H258 PolarHBondContact O-N 2.83Å; H258-N260 VanDerWaalsContact C-N 3.34Å; H258-N260 PolarHBondContact CE1-OD1 3.35Å; H258-N260 PolarHBondContact ND1-N 2.85Å; H258-N260 PolarHBondContact O-N 3.03Å; H258-V261 HydrophobicContact CB-CB 4.25Å; H258-V261 HydrophobicContact CB-CG2 3.94Å; H258-V261 PolarHBondContact O-N 3.18Å; H258-F316 HydrophobicContact CB-CD1 3.6Å; H258-F316 HydrophobicContact CB-CD2 4.35Å; H258-F316 HydrophobicContact CB-CE1 3.75Å; H258-F316 HydrophobicContact CB-CE2 4.46Å; H258-F316 HydrophobicContact CB-CG 3.94Å; H258-F316 HydrophobicContact CB-CZ 4.19Å; H258-F316 VanDerWaalsContact CD2-CB 3.43Å; H258-F316 WeakPolarHBondContact CD2-CB 3.28Å; H258-F316 AromaticContact CD2-CD1 3.94Å; H258-F316 AromaticContact CD2-CD2 3.69Å; H258-F316 AromaticContact CD2-CG 3.37Å; H258-F316 WeakPolarHBondContact CD2-CG 3.48Å; H258-F316 AromaticContact CG-CD1 3.74Å; H258-F316 AromaticContact CG-CG 3.68Å
259P90.2Very high90.4Very high49 Ų4921.8 Ų21.832%0.31811%0.105SC..THydrogen-bonded Turntrans-63.7-34-176.822.7-32.9000114.2V261 K343P259-V261 VanDerWaalsContact C-N 3.32Å; P259-V261 PolarHBondContact O-N 3.25Å; P259-K343 VanDerWaalsContact O-CE 3.24Å; P259-K343 WeakPolarHBondContact O-CE 3.34Å
260N95.1Very high90.4Very high8 Ų822.6 Ų22.64%0.04311%0.109CC..THydrogen-bonded Turntrans-92.420.3-179.6-51.9104.9000113.7H258 D309 A342 K343 L344H258-N260 VanDerWaalsContact C-N 3.34Å; H258-N260 PolarHBondContact CE1-OD1 3.35Å; H258-N260 PolarHBondContact ND1-N 2.85Å; H258-N260 PolarHBondContact O-N 3.03Å; N260-D309 VanDerWaalsContact CB-O 3.26Å; N260-D309 WeakPolarHBondContact CB-O 3.29Å; N260-D309 VanDerWaalsContact CG-O 3.31Å; N260-D309 WeakPolarHBondContact ND2-CB 3.39Å; N260-D309 PolarHBondContact ND2-OD1 3.18Å; N260-D309 VanDerWaalsContact ND2-OD1 3.12Å; N260-A342 PolarHBondContact ND2-O 3.4Å; N260-K343 CarbonylContact O-C 3.04Å; N260-K343 WeakPolarHBondContact O-CA 3.26Å; N260-L344 PolarHBondContact O-N 3.02Å
261V94.6Very high90.5Very high6 Ų625 Ų254%0.03613%0.128CC..EExtended strand (participates in β ladder)trans-119.8130.8173.4177.30000108.5I255 H258 P259 P263 F316 L317 M346I255-V261 HydrophobicContact CB-CG1 3.98Å; I255-V261 HydrophobicContact CG2-CB 4.46Å; I255-V261 HydrophobicContact CG2-CG1 3.93Å; H258-V261 HydrophobicContact CB-CB 4.25Å; H258-V261 HydrophobicContact CB-CG2 3.94Å; H258-V261 PolarHBondContact O-N 3.18Å; P259-V261 VanDerWaalsContact C-N 3.32Å; P259-V261 PolarHBondContact O-N 3.25Å; V261-P263 WeakPolarHBondContact O-CD 3.23Å; V261-F316 HydrophobicContact CG2-CD1 4.16Å; V261-L317 HydrophobicContact CG2-CD2 4.12Å; V261-L317 HydrophobicContact CG2-CG 4.4Å; V261-M346 HydrophobicContact CG1-CE 4.11Å; V261-M346 HydrophobicContact CG1-CG 3.53Å; V261-M346 HydrophobicContact CG1-SD 4.02Å
262C94Very high90.7Very high3 Ų328.2 Ų28.22%0.0215%0.148CC..EExtended strand (participates in β ladder)trans-97.9105.1171.7-179.90000108.1M281 V335 K343 L344 M346C262-M281 HydrophobicContact CB-CE 4.02Å; C262-M281 WeakPolarHBondContact SG-CE 3.43Å; C262-V335 HydrophobicContact CB-CG2 3.93Å; C262-K343 HydrophobicContact CB-CB 4.03Å; C262-L344 PolarHBondContact N-O 3.4Å; C262-M346 WeakPolarHBondContact O-CB 3.4Å; C262-M346 WeakPolarHBondContact O-CG 3.36Å; C262-M346 PolarHBondContact O-N 3.09Å
263P92.5Very high90.9Very high21 Ų2124.2 Ų24.214%0.13614%0.137CC..  trans-68.8154.9-176.123.6-31.1000112.4I255 F256 V261 L265I255-P263 WeakPolarHBondContact O-CB 3.37Å; F256-P263 HydrophobicContact CD1-CB 3.87Å; F256-P263 HydrophobicContact CD1-CG 3.47Å; F256-P263 VanDerWaalsContact CD1-CG 3.47Å; F256-P263 HydrophobicContact CE1-CB 3.75Å; F256-P263 HydrophobicContact CE1-CG 3.5Å; F256-P263 VanDerWaalsContact CE1-CG 3.5Å; F256-P263 HydrophobicContact CE2-CB 4.49Å; F256-P263 HydrophobicContact CG-CB 4.28Å; F256-P263 HydrophobicContact CG-CG 4.24Å; F256-P263 HydrophobicContact CZ-CB 4.07Å; F256-P263 HydrophobicContact CZ-CG 4.31Å; V261-P263 WeakPolarHBondContact O-CD 3.23Å; P263-L265 HydrophobicContact CG-CD2 4.46Å; P263-L265 PolarHBondContact O-N 3.05Å
264V91.7Very high91Very high0 Ų023.7 Ų23.70%014%0.135CC..  trans-70.8119.8155.1175.90000107.6Y250 L253 R254 T266 M346 A347Y250-V264 HydrophobicContact CD2-CG1 4.4Å; L253-V264 HydrophobicContact CB-CB 3.99Å; L253-V264 HydrophobicContact CB-CG2 3.59Å; L253-V264 HydrophobicContact CD1-CG2 4.2Å; L253-V264 PolarHBondContact O-N 3Å; R254-V264 WeakPolarHBondContact CG-O 3.31Å; V264-T266 WeakPolarHBondContact CG1-O 3.47Å; V264-M346 HydrophobicContact CG2-CB 4.22Å; V264-A347 HydrophobicContact CG2-CB 4.12Å
265L88.6Confident91.3Very high8 Ų822.1 Ų22.14%0.04213%0.129CC..  trans-74.4-50.8179.4-62.6174.9000110.6L193 I228 F256 P263 V277L193-L265 HydrophobicContact CB-CB 4.2Å; L193-L265 HydrophobicContact CB-CD1 4.31Å; L193-L265 HydrophobicContact CB-CD2 4.06Å; L193-L265 HydrophobicContact CB-CG 4.42Å; L193-L265 HydrophobicContact CD1-CD1 3.57Å; L193-L265 HydrophobicContact CD1-CD2 3.99Å; L193-L265 HydrophobicContact CD1-CG 4.34Å; L193-L265 HydrophobicContact CD2-CD1 4.49Å; L193-L265 HydrophobicContact CG-CD1 4.32Å; I228-L265 HydrophobicContact CG2-CD1 4.27Å; F256-L265 HydrophobicContact CE1-CD2 3.96Å; F256-L265 HydrophobicContact CZ-CD2 4.49Å; P263-L265 HydrophobicContact CG-CD2 4.46Å; P263-L265 PolarHBondContact O-N 3.05Å; L265-V277 WeakPolarHBondContact CB-O 3.47Å; L265-V277 PolarHBondContact N-O 3.41Å
266T87.8Confident91.5Very high3 Ų322.1 Ų22.12%0.01813%0.129CC..EExtended strand (participates in β ladder)trans-155.9175.2-179.6-168.40000110.6V199 W223 V264 V277V199-T266 HydrophobicContact CB-CG2 4.44Å; V199-T266 HydrophobicContact CG2-CG2 4.06Å; V199-T266 WeakPolarHBondContact CG2-OG1 3.33Å; W223-T266 HydrophobicContact CD2-CG2 4.46Å; W223-T266 HydrophobicContact CE3-CG2 3.91Å; W223-T266 HydrophobicContact CH2-CG2 3.69Å; W223-T266 HydrophobicContact CZ2-CG2 4.22Å; W223-T266 HydrophobicContact CZ3-CG2 3.49Å; W223-T266 VanDerWaalsContact CZ3-CG2 3.49Å; V264-T266 WeakPolarHBondContact CG1-O 3.47Å; T266-V277 HydrophobicContact CG2-CB 3.75Å; T266-V277 HydrophobicContact CG2-CG1 4.22Å; T266-V277 HydrophobicContact CG2-CG2 3.94Å; T266-V277 PolarHBondContact O-N 2.98Å
267C91.1Very high91.9Very high3 Ų321.4 Ų21.42%0.0213%0.126CC..EExtended strand (participates in β ladder)trans-134.8151.9172.973.60000111.8F246 Y250 V275F246-C267 HydrophobicContact CE1-CB 3.71Å; F246-C267 HydrophobicContact CZ-CB 3.69Å; Y250-C267 HydrophobicContact CD1-CB 4.48Å; Y250-C267 VanDerWaalsContact CD1-SG 3.53Å; Y250-C267 HydrophobicContact CD2-CB 3.86Å; Y250-C267 WeakPolarHBondContact CE1-SG 3.3Å; Y250-C267 HydrophobicContact CE2-CB 4.15Å; Y250-C267 HydrophobicContact CG-CB 4.04Å; C267-V275 CarbonylContact C-O 3.54Å; C267-V275 WeakPolarHBondContact CA-O 3.44Å; C267-V275 WeakPolarHBondContact CB-O 3.46Å
268C91.8Very high92.3Very high0 Ų021.8 Ų21.80%013%0.128CC..EExtended strand (participates in β ladder)trans-105.3120.1165-54.40000108.6V199 L274 V275V199-C268 WeakPolarHBondContact O-CB 3.23Å; V199-C268 PolarHBondContact O-SG 3.13Å; C268-L274 WeakPolarHBondContact O-CA 3.45Å; C268-V275 HydrophobicContact CB-CB 3.89Å; C268-V275 HydrophobicContact CB-CG2 4.08Å; C268-V275 PolarHBondContact N-O 3.06Å; C268-V275 PolarHBondContact O-N 2.96Å
269N91.6Very high92.3Very high25 Ų2523.5 Ų23.513%0.13414%0.136CC..EExtended strand (participates in β ladder)trans-109.878.5173.5-170.5-2.1000109.3S243 F246 Q247 L274S243-N269 PolarHBondContact O-ND2 3.34Å; S243-N269 PolarHBondContact OG-ND2 3.02Å; S243-N269 PolarHBondContact OG-OD1 3.47Å; F246-N269 HydrophobicContact CD1-CB 4Å; F246-N269 HydrophobicContact CE1-CB 4.16Å; Q247-N269 VanDerWaalsContact CD-ND2 3.31Å; Q247-N269 PolarHBondContact OE1-ND2 2.89Å; N269-L274 HydrophobicContact CB-CD2 4.37Å; N269-L274 WeakPolarHBondContact OD1-CD2 2.97Å
270Q90.9Very high92.4Very high62 Ų6223.7 Ų23.729%0.2913%0.131SC..EExtended strand (participates in β ladder)trans-132.582.9-176.6-70.4-175.4-50.500109.8D200 N273D200-Q270 PolarHBondContact OD1-NE2 2.95Å; D200-Q270 PolarHBondContact OD1-OE1 2.63Å; D200-Q270 VanDerWaalsContact OD1-OE1 3.07Å; D200-Q270 PolarHBondContact OD2-NE2 3.48Å; Q270-N273 CarbonylContact C-O 3.48Å; Q270-N273 VanDerWaalsContact C-O 3.26Å; Q270-N273 PolarHBondContact N-O 3.4Å; Q270-N273 CarbonylContact O-C 3.59Å; Q270-N273 VanDerWaalsContact O-CA 3.31Å; Q270-N273 WeakPolarHBondContact O-CA 3.38Å; Q270-N273 WeakPolarHBondContact O-CB 3.19Å; Q270-N273 PolarHBondContact O-N 3.41Å
271P90.9Very high92.2Very high74 Ų7423.9 Ų23.948%0.48113%0.132SC..THydrogen-bonded Turntrans-46.1132.2-178.6-29.535.5000112.6V238 N273V238-P271 HydrophobicContact CB-CB 4.09Å; V238-P271 HydrophobicContact CB-CG 4.48Å; V238-P271 HydrophobicContact CG1-CB 3.94Å; V238-P271 HydrophobicContact CG1-CG 3.79Å; P271-N273 VanDerWaalsContact C-N 3.35Å
272P92Very high91.9Very high97 Ų9726.4 Ų26.463%0.6315%0.148SC*.THydrogen-bonded Turncis-82.1-2.38.135-37000114.7V238 L274V238-P272 WeakPolarHBondContact CG2-O 3.48Å; P272-L274 PolarHBondContact O-N 2.85Å
273N93Very high91.8Very high56 Ų5629.6 Ų29.630%0.29916%0.162SC..EExtended strand (participates in β ladder)trans-89.1105.4-174.9-57.4-45.4000111.4I201 Q270 P271 V275I201-N273 HydrophobicContact CD1-CB 3.93Å; Q270-N273 CarbonylContact C-O 3.48Å; Q270-N273 VanDerWaalsContact C-O 3.26Å; Q270-N273 PolarHBondContact N-O 3.4Å; Q270-N273 CarbonylContact O-C 3.59Å; Q270-N273 VanDerWaalsContact O-CA 3.31Å; Q270-N273 WeakPolarHBondContact O-CA 3.38Å; Q270-N273 WeakPolarHBondContact O-CB 3.19Å; Q270-N273 PolarHBondContact O-N 3.41Å; P271-N273 VanDerWaalsContact C-N 3.35Å; N273-V275 HydrophobicContact CB-CG2 4.22Å
274L95.1Very high91.8Very high0 Ų029.7 Ų29.70%017%0.166CC..EExtended strand (participates in β ladder)trans-100123.2160.8-57.7-168.6000108L233 L235 V238 I242 F246 C268 N269 P272 F353L233-L274 HydrophobicContact CB-CB 4.33Å; L233-L274 HydrophobicContact CD1-CB 4.03Å; L233-L274 HydrophobicContact CG-CB 4.21Å; L233-L274 WeakPolarHBondContact CG-O 3.31Å; L233-L274 PolarHBondContact N-O 3.4Å; L235-L274 HydrophobicContact CD1-CD1 3.79Å; L235-L274 HydrophobicContact CD1-CG 4.35Å; V238-L274 HydrophobicContact CG1-CD1 3.96Å; V238-L274 HydrophobicContact CG1-CD2 4.02Å; V238-L274 HydrophobicContact CG1-CG 3.99Å; V238-L274 HydrophobicContact CG2-CG 4.28Å; I242-L274 HydrophobicContact CG2-CD1 3.77Å; F246-L274 HydrophobicContact CB-CD1 3.99Å; F246-L274 HydrophobicContact CD1-CB 4.42Å; F246-L274 HydrophobicContact CD1-CD1 4.3Å; F246-L274 HydrophobicContact CD1-CD2 4.05Å; F246-L274 HydrophobicContact CD2-CD1 4.32Å; F246-L274 HydrophobicContact CE1-CB 4.25Å; F246-L274 HydrophobicContact CE1-CD2 4.37Å; F246-L274 HydrophobicContact CE2-CB 4.33Å; F246-L274 HydrophobicContact CG-CD1 3.97Å; F246-L274 HydrophobicContact CZ-CB 4.19Å; C268-L274 WeakPolarHBondContact O-CA 3.45Å; N269-L274 HydrophobicContact CB-CD2 4.37Å; N269-L274 WeakPolarHBondContact OD1-CD2 2.97Å; P272-L274 PolarHBondContact O-N 2.85Å; L274-F353 HydrophobicContact CD1-CE2 4.33Å; L274-F353 HydrophobicContact CD1-CZ 4.09Å
275V95.1Very high91.9Very high0 Ų030.1 Ų30.10%017%0.169CC..EExtended strand (participates in β ladder)trans-131.7129.2-171.8-169.60000110I201 L204 A230 R231 I232 C267 C268 N273 V277I201-V275 HydrophobicContact CD1-CG2 3.98Å; I201-V275 HydrophobicContact CG1-CG2 4.47Å; L204-V275 HydrophobicContact CD1-CG1 4.14Å; A230-V275 HydrophobicContact CB-CG1 3.7Å; R231-V275 VanDerWaalsContact O-CA 3.29Å; R231-V275 WeakPolarHBondContact O-CA 3.31Å; I232-V275 HydrophobicContact CB-CG2 4.48Å; I232-V275 HydrophobicContact CG1-CG1 4.3Å; I232-V275 HydrophobicContact CG1-CG2 4.03Å; I232-V275 HydrophobicContact CG2-CG2 4.45Å; C267-V275 CarbonylContact C-O 3.54Å; C267-V275 WeakPolarHBondContact CA-O 3.44Å; C267-V275 WeakPolarHBondContact CB-O 3.46Å; C268-V275 HydrophobicContact CB-CB 3.89Å; C268-V275 HydrophobicContact CB-CG2 4.08Å; C268-V275 PolarHBondContact N-O 3.06Å; C268-V275 PolarHBondContact O-N 2.96Å; N273-V275 HydrophobicContact CB-CG2 4.22Å; V275-V277 HydrophobicContact CG1-CG2 4.31Å
276T94.4Very high92.3Very high1 Ų129.7 Ų29.71%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-100.9134.6166540000109.5R231 F246 F351R231-T276 PolarHBondContact N-O 3.16Å; R231-T276 PolarHBondContact O-N 3.33Å; F246-T276 HydrophobicContact CE2-CG2 3.95Å; F246-T276 HydrophobicContact CZ-CG2 4.11Å; T276-F351 HydrophobicContact CG2-CE2 3.74Å; T276-F351 HydrophobicContact CG2-CZ 3.79Å
277V93.7Very high92.7Very high0 Ų032.7 Ų32.70%018%0.179CC..EExtended strand (participates in β ladder)trans-113.1130.2-177.6-1780000109.6L204 I228 V229 L265 T266 V275L204-V277 HydrophobicContact CD1-CG2 3.68Å; L204-V277 HydrophobicContact CD2-CG2 3.89Å; L204-V277 HydrophobicContact CG-CG2 4.47Å; I228-V277 HydrophobicContact CB-CG1 3.75Å; I228-V277 HydrophobicContact CD1-CG1 4.07Å; I228-V277 HydrophobicContact CG1-CG1 4Å; I228-V277 HydrophobicContact CG2-CG1 4.04Å; V229-V277 CarbonylContact O-C 3.47Å; V229-V277 WeakPolarHBondContact O-CA 3.28Å; L265-V277 WeakPolarHBondContact CB-O 3.47Å; L265-V277 PolarHBondContact N-O 3.41Å; T266-V277 HydrophobicContact CG2-CB 3.75Å; T266-V277 HydrophobicContact CG2-CG1 4.22Å; T266-V277 HydrophobicContact CG2-CG2 3.94Å; T266-V277 PolarHBondContact O-N 2.98Å; V275-V277 HydrophobicContact CG1-CG2 4.31Å
278S93.1Very high92.8Very high12 Ų1234.8 Ų34.88%0.08419%0.19CC..EExtended strand (participates in β ladder)trans-131169.117562.20000110.6I228 V229I228-S278 WeakPolarHBondContact CA-O 3.16Å; V229-S278 PolarHBondContact N-O 2.86Å; V229-S278 PolarHBondContact O-N 2.89Å
279Q91Very high92.9Very high65 Ų6535.2 Ų35.230%0.30419%0.192SC..EExtended strand (participates in β ladder)trans-62141.2173.5-176.8175.5-2.100110.3M281Q279-M281 HydrophobicContact CB-CE 4.37Å
280Y92.2Very high93.1Very high54 Ų5434.9 Ų34.921%0.21219%0.19CC..  trans-68.5130.8170174.5-119.8000111R220 E227 V229 P282R220-Y280 HydrophobicContact CG-CD2 4.45Å; R220-Y280 PolarHBondContact NH1-OH 3.24Å; E227-Y280 HydrophobicContact CB-CD1 4.25Å; E227-Y280 PolarHBondContact O-N 2.9Å; V229-Y280 HydrophobicContact CG2-CD2 3.55Å; V229-Y280 HydrophobicContact CG2-CG 4.25Å; Y280-P282 HydrophobicContact CE1-CB 4.43Å
281M91.4Very high93.2Very high12 Ų1234.4 Ų34.46%0.05919%0.188CC..  trans-108.2115.5177.6-65.1-66.3179.300108.3C262 Q279 F283 G284 V335 D337 K343C262-M281 HydrophobicContact CB-CE 4.02Å; C262-M281 WeakPolarHBondContact SG-CE 3.43Å; Q279-M281 HydrophobicContact CB-CE 4.37Å; M281-F283 PolarHBondContact O-N 2.99Å; M281-G284 PolarHBondContact O-N 3.5Å; M281-G284 VanDerWaalsContact O-N 3.1Å; M281-V335 HydrophobicContact CB-CB 4.14Å; M281-V335 HydrophobicContact CE-CG2 4.05Å; M281-V335 HydrophobicContact CG-CB 3.79Å; M281-V335 HydrophobicContact CG-CG2 3.71Å; M281-V335 HydrophobicContact SD-CG2 4.37Å; M281-D337 HydrophobicContact SD-CB 3.92Å; M281-K343 HydrophobicContact CE-CD 3.98Å
282P87.9Confident93.2Very high59 Ų5936.2 Ų36.238%0.38319%0.19SC..THydrogen-bonded Turntrans-63.8-30-168.423.5-33.4000113.3Y280 E338Y280-P282 HydrophobicContact CE1-CB 4.43Å; P282-E338 HydrophobicContact CG-CB 4.23Å
283F91.5Very high92.5Very high70 Ų7041.6 Ų41.631%0.30721%0.207SC..THydrogen-bonded Turntrans-93.6-1-179.9-56.5-57.9000114.1M281 I289 I296 I336 D337 L340M281-F283 PolarHBondContact O-N 2.99Å; F283-I289 HydrophobicContact CB-CD1 3.95Å; F283-I289 HydrophobicContact CB-CG1 4.36Å; F283-I296 HydrophobicContact CB-CD1 3.74Å; F283-I296 HydrophobicContact CD1-CD1 3.28Å; F283-I296 HydrophobicContact CD1-CG1 4.01Å; F283-I296 HydrophobicContact CD2-CD1 3.68Å; F283-I296 HydrophobicContact CE1-CD1 3.65Å; F283-I296 HydrophobicContact CE1-CG1 4.02Å; F283-I296 HydrophobicContact CE2-CD1 4Å; F283-I296 HydrophobicContact CG-CD1 3.29Å; F283-I296 HydrophobicContact CG-CG1 4.46Å; F283-I296 HydrophobicContact CZ-CD1 3.99Å; F283-I296 HydrophobicContact CZ-CG1 4.47Å; F283-I336 HydrophobicContact CB-CB 4.24Å; F283-I336 HydrophobicContact CB-CG2 4.47Å; F283-I336 HydrophobicContact CD2-CG2 4.09Å; F283-D337 WeakPolarHBondContact CD2-O 3.02Å; F283-D337 VanDerWaalsContact CE2-O 3.28Å; F283-D337 WeakPolarHBondContact CE2-O 3.41Å; F283-L340 HydrophobicContact CD2-CD2 4.08Å; F283-L340 HydrophobicContact CE2-CD2 3.71Å; F283-L340 HydrophobicContact CZ-CD2 4.24Å
284G92.6Very high92Very high22 Ų2241 Ų4123%0.22721%0.207CC..  trans71.1-148.6-178.500000113.3M281 V335 I336M281-G284 PolarHBondContact O-N 3.5Å; M281-G284 VanDerWaalsContact O-N 3.1Å; G284-V335 WeakPolarHBondContact O-CA 3.41Å; G284-I336 PolarHBondContact O-N 3.04Å
285S95.2Very high91.4Very high9 Ų946 Ų466%0.06325%0.249CC..BIsolated β-bridgetrans-82.5164.7176.974.50000112.1Y287 N288 I289 D332 V334S285-Y287 PolarHBondContact O-N 2.77Å; S285-Y287 WeakPolarHBondContact OG-CB 3.5Å; S285-Y287 PolarHBondContact OG-N 3.05Å; S285-N288 PolarHBondContact N-OD1 2.72Å; S285-N288 WeakPolarHBondContact O-CB 3.43Å; S285-N288 PolarHBondContact O-N 2.94Å; S285-N288 VanDerWaalsContact O-N 3.12Å; S285-N288 PolarHBondContact OG-N 2.8Å; S285-N288 PolarHBondContact OG-OD1 2.86Å; S285-I289 PolarHBondContact O-N 2.65Å; S285-D332 VanDerWaalsContact CB-O 3.31Å; S285-D332 WeakPolarHBondContact CB-O 3.42Å; S285-V334 CarbonylContact C-O 3.16Å; S285-V334 WeakPolarHBondContact CA-O 3.3Å
286L96.7Very high91Very high0 Ų047.3 Ų47.30%026%0.255CS..Hα-helixtrans-59.8-35.2171.4-179.562.7000110.3N288 I289 L290 F306 I310 S331 V334 I390 L394L286-N288 PolarHBondContact O-N 2.91Å; L286-I289 PolarHBondContact O-N 2.85Å; L286-L290 HydrophobicContact CD1-CD1 3.95Å; L286-L290 HydrophobicContact CD1-CD2 4.23Å; L286-L290 HydrophobicContact CD1-CG 3.89Å; L286-L290 HydrophobicContact CD2-CD1 4.29Å; L286-L290 HydrophobicContact CG-CD1 3.77Å; L286-L290 HydrophobicContact CG-CG 4.09Å; L286-L290 VanDerWaalsContact O-CG 3.27Å; L286-L290 WeakPolarHBondContact O-CG 3.31Å; L286-L290 PolarHBondContact O-N 3.04Å; L286-F306 HydrophobicContact CD1-CD2 3.99Å; L286-F306 HydrophobicContact CD1-CE2 4.21Å; L286-I310 HydrophobicContact CD2-CD1 4.16Å; L286-S331 WeakPolarHBondContact CB-O 3.46Å; L286-S331 PolarHBondContact N-O 3.22Å; L286-V334 HydrophobicContact CB-CB 3.93Å; L286-V334 HydrophobicContact CB-CG1 4.07Å; L286-V334 HydrophobicContact CD2-CB 4.44Å; L286-V334 HydrophobicContact CD2-CG1 4.38Å; L286-V334 PolarHBondContact N-O 3.12Å; L286-I390 HydrophobicContact CD2-CG2 3.68Å; L286-L394 HydrophobicContact CD1-CD2 3.94Å; L286-L394 HydrophobicContact CD2-CD2 4.14Å; L286-L394 HydrophobicContact CD2-CG 4.35Å
287Y95.4Very high90.7Very high65 Ų6553.4 Ų53.426%0.25529%0.292SS..Hα-helixtrans-58-46.1173-174.4-84.4000111.9S285 I289 L290 H291 S331 D332 V399S285-Y287 PolarHBondContact O-N 2.77Å; S285-Y287 WeakPolarHBondContact OG-CB 3.5Å; S285-Y287 PolarHBondContact OG-N 3.05Å; Y287-I289 VanDerWaalsContact C-N 3.27Å; Y287-I289 PolarHBondContact O-N 2.88Å; Y287-L290 PolarHBondContact O-N 2.96Å; Y287-H291 AromaticContact CD2-CD2 3.57Å; Y287-H291 HydrophobicContact CE1-CB 4.34Å; Y287-H291 AromaticContact CE2-CD2 3.69Å; Y287-H291 PolarHBondContact O-N 3.08Å; Y287-S331 PolarHBondContact N-O 2.87Å; Y287-D332 WeakPolarHBondContact CB-OD1 3.03Å; Y287-V399 HydrophobicContact CE2-CG1 4.42Å; Y287-V399 HydrophobicContact CE2-CG2 3.83Å
288N93.8Very high90.6Very high48 Ų4854 Ų5426%0.25730%0.296SS..Hα-helixtrans-59.5-39.4176.5-57.8123.6000111.4S285 L286 E292S285-N288 PolarHBondContact N-OD1 2.72Å; S285-N288 WeakPolarHBondContact O-CB 3.43Å; S285-N288 PolarHBondContact O-N 2.94Å; S285-N288 VanDerWaalsContact O-N 3.12Å; S285-N288 PolarHBondContact OG-N 2.8Å; S285-N288 PolarHBondContact OG-OD1 2.86Å; L286-N288 PolarHBondContact O-N 2.91Å; N288-E292 PolarHBondContact ND2-OE1 2.94Å; N288-E292 PolarHBondContact ND2-OE2 3.12Å; N288-E292 CarbonylContact O-C 3.57Å; N288-E292 WeakPolarHBondContact O-CA 3.33Å; N288-E292 WeakPolarHBondContact O-CB 3Å; N288-E292 PolarHBondContact O-N 3.14Å
289I94.2Very high90.6Very high8 Ų857.8 Ų57.84%0.04132%0.315CS..Hα-helixtrans-70.4-38.5-180-67.6173.2000112.5F283 S285 L286 Y287 I296 V298 I336F283-I289 HydrophobicContact CB-CD1 3.95Å; F283-I289 HydrophobicContact CB-CG1 4.36Å; S285-I289 PolarHBondContact O-N 2.65Å; L286-I289 PolarHBondContact O-N 2.85Å; Y287-I289 VanDerWaalsContact C-N 3.27Å; Y287-I289 PolarHBondContact O-N 2.88Å; I289-I296 HydrophobicContact CD1-CD1 3.83Å; I289-I296 HydrophobicContact CG1-CD1 4.22Å; I289-I296 HydrophobicContact CG2-CB 4.3Å; I289-I296 HydrophobicContact CG2-CG2 4.43Å; I289-V298 HydrophobicContact CG2-CG2 3.47Å; I289-V298 VanDerWaalsContact CG2-CG2 3.47Å; I289-I336 HydrophobicContact CD1-CB 3.66Å; I289-I336 HydrophobicContact CD1-CG1 3.31Å; I289-I336 HydrophobicContact CD1-CG2 4.02Å
290L94.9Very high90.6Very high19 Ų1960.1 Ų60.110%0.09933%0.326CS..Hα-helixtrans-83.5-36-173.7-63.5-178000113.1L286 Y287 E393 L394L286-L290 HydrophobicContact CD1-CD1 3.95Å; L286-L290 HydrophobicContact CD1-CD2 4.23Å; L286-L290 HydrophobicContact CD1-CG 3.89Å; L286-L290 HydrophobicContact CD2-CD1 4.29Å; L286-L290 HydrophobicContact CG-CD1 3.77Å; L286-L290 HydrophobicContact CG-CG 4.09Å; L286-L290 VanDerWaalsContact O-CG 3.27Å; L286-L290 WeakPolarHBondContact O-CG 3.31Å; L286-L290 PolarHBondContact O-N 3.04Å; Y287-L290 PolarHBondContact O-N 2.96Å; L290-E393 HydrophobicContact CD1-CG 3.84Å; L290-L394 HydrophobicContact CD1-CD2 4.11Å; L290-L394 HydrophobicContact CD1-CG 4.47Å; L290-L394 HydrophobicContact CD2-CD2 4.18Å
291H93.9Very high90.6Very high52 Ų5260.4 Ų60.424%0.24134%0.339CS..Hα-helixtrans-123-14.4-166.6-53.4-61.7000114.6Y287 E393 V399Y287-H291 AromaticContact CD2-CD2 3.57Å; Y287-H291 HydrophobicContact CE1-CB 4.34Å; Y287-H291 AromaticContact CE2-CD2 3.69Å; Y287-H291 PolarHBondContact O-N 3.08Å; H291-E393 IonicContact CD2-OE1 2.81Å; H291-E393 PolarHBondContact CD2-OE1 2.88Å; H291-E393 IonicContact CE1-OE1 3.48Å; H291-E393 IonicContact NE2-OE1 2.67Å; H291-E393 PolarHBondContact NE2-OE1 2.89Å; H291-V399 HydrophobicContact CB-CG2 4.35Å
292E90.4Very high90.8Very high112 Ų11261.2 Ų61.252%0.52334%0.343SS..SBendtrans-104.3175.2173-58.4-176.8171.300111N288 S294N288-E292 PolarHBondContact ND2-OE1 2.94Å; N288-E292 PolarHBondContact ND2-OE2 3.12Å; N288-E292 CarbonylContact O-C 3.57Å; N288-E292 WeakPolarHBondContact O-CA 3.33Å; N288-E292 WeakPolarHBondContact O-CB 3Å; N288-E292 PolarHBondContact O-N 3.14Å; E292-S294 PolarHBondContact O-N 3.46Å
293Q77.7Confident91.1Very high209 Ų20958.8 Ų58.898%0.97733%0.327SS*.  trans-71.294.1178.4-67.4-178.61.900110.1
294S81.7Confident91.3Very high44 Ų4455.7 Ų55.731%0.30831%0.314SS..  trans-108.1145173.6-179.90000111.5E292 I296E292-S294 PolarHBondContact O-N 3.46Å; S294-I296 PolarHBondContact O-N 3.07Å; S294-I296 PolarHBondContact OG-N 3.45Å
295A82.3Confident91.5Very high106 Ų10656.8 Ų56.888%0.87631%0.313SS*.SBendtrans-76.7-9.3172.500000112.9
296I87.4Confident91.6Very high26 Ų2656.4 Ų56.413%0.13331%0.31CS..  trans-86.3118.6-176.2-61.8167.6000109.9F283 I289 S294 V298 L340F283-I296 HydrophobicContact CB-CD1 3.74Å; F283-I296 HydrophobicContact CD1-CD1 3.28Å; F283-I296 HydrophobicContact CD1-CG1 4.01Å; F283-I296 HydrophobicContact CD2-CD1 3.68Å; F283-I296 HydrophobicContact CE1-CD1 3.65Å; F283-I296 HydrophobicContact CE1-CG1 4.02Å; F283-I296 HydrophobicContact CE2-CD1 4Å; F283-I296 HydrophobicContact CG-CD1 3.29Å; F283-I296 HydrophobicContact CG-CG1 4.46Å; F283-I296 HydrophobicContact CZ-CD1 3.99Å; F283-I296 HydrophobicContact CZ-CG1 4.47Å; I289-I296 HydrophobicContact CD1-CD1 3.83Å; I289-I296 HydrophobicContact CG1-CD1 4.22Å; I289-I296 HydrophobicContact CG2-CB 4.3Å; I289-I296 HydrophobicContact CG2-CG2 4.43Å; S294-I296 PolarHBondContact O-N 3.07Å; S294-I296 PolarHBondContact OG-N 3.45Å; I296-V298 HydrophobicContact CG2-CG2 3.88Å; I296-V298 PolarHBondContact O-N 3.49Å; I296-L340 HydrophobicContact CD1-CD2 3.47Å; I296-L340 VanDerWaalsContact CD1-CD2 3.47Å; I296-L340 HydrophobicContact CG1-CD2 4.03Å; I296-L340 HydrophobicContact CG2-CD2 4.1Å
297V87.8Confident91.6Very high130 Ų13056.4 Ų56.479%0.78831%0.31SS*.  trans-81.1113.4165.2-177.80000108.2
298V91.7Very high91.7Very high12 Ų1254 Ų547%0.07330%0.301CS..  trans-96.2102173.3-178.10000107.2I289 I296 Q302 A303 F306 R397I289-V298 HydrophobicContact CG2-CG2 3.47Å; I289-V298 VanDerWaalsContact CG2-CG2 3.47Å; I296-V298 HydrophobicContact CG2-CG2 3.88Å; I296-V298 PolarHBondContact O-N 3.49Å; V298-Q302 HydrophobicContact CB-CG 4.46Å; V298-Q302 HydrophobicContact CG1-CB 4.06Å; V298-Q302 HydrophobicContact CG1-CG 4Å; V298-A303 HydrophobicContact CG1-CB 4.03Å; V298-F306 HydrophobicContact CG1-CD2 4.03Å; V298-F306 HydrophobicContact CG1-CE2 3.93Å; V298-F306 HydrophobicContact CG2-CE2 3.8Å; V298-R397 VanDerWaalsContact CB-NH2 3.28Å; V298-R397 PolarHBondContact O-NH2 3.12Å
299D92.5Very high91.9Very high91 Ų9152.2 Ų52.249%0.48729%0.292SS..  trans-82.1-172.1171.766.911000111.3A301 Q302 A303D299-A301 VanDerWaalsContact C-N 3.34Å; D299-A301 PolarHBondContact O-N 3.22Å; D299-A301 PolarHBondContact OD1-N 3.03Å; D299-A301 VanDerWaalsContact OD1-N 3.09Å; D299-Q302 WeakPolarHBondContact OD1-CB 3.11Å; D299-Q302 PolarHBondContact OD1-N 3.06Å; D299-A303 VanDerWaalsContact O-CB 3.28Å; D299-A303 WeakPolarHBondContact O-CB 3.35Å; D299-A303 PolarHBondContact O-N 3.33Å
300H91.2Very high92.1Very high114 Ų11451.9 Ų51.953%0.52829%0.29SS..Hα-helixtrans-62.5-40.1178.9-174.457.5000112.8A303 L304H300-A303 PolarHBondContact O-N 3.04Å; H300-L304 WeakPolarHBondContact NE2-CD1 3.48Å; H300-L304 WeakPolarHBondContact O-CG 3.3Å; H300-L304 PolarHBondContact O-N 3.43Å
301A93.1Very high92.3Very high60 Ų6051 Ų5150%0.49629%0.285SS..Hα-helixtrans-67.4-44.3-178.700000111.1D299 L304 K305D299-A301 VanDerWaalsContact C-N 3.34Å; D299-A301 PolarHBondContact O-N 3.22Å; D299-A301 PolarHBondContact OD1-N 3.03Å; D299-A301 VanDerWaalsContact OD1-N 3.09Å; A301-L304 PolarHBondContact O-N 3.01Å; A301-K305 PolarHBondContact O-N 2.93Å
302Q94.8Very high92.4Very high30 Ų3053 Ų5314%0.1429%0.291CS..Hα-helixtrans-67.8-36.8176.7-173.257.854.500111.9V298 D299 K305 F306 L340V298-Q302 HydrophobicContact CB-CG 4.46Å; V298-Q302 HydrophobicContact CG1-CB 4.06Å; V298-Q302 HydrophobicContact CG1-CG 4Å; D299-Q302 WeakPolarHBondContact OD1-CB 3.11Å; D299-Q302 PolarHBondContact OD1-N 3.06Å; Q302-K305 PolarHBondContact O-N 3.18Å; Q302-F306 HydrophobicContact CG-CD2 4.27Å; Q302-F306 HydrophobicContact CG-CE2 3.8Å; Q302-F306 HydrophobicContact CG-CZ 3.96Å; Q302-F306 VanDerWaalsContact NE2-CD1 3.32Å; Q302-F306 WeakPolarHBondContact O-CD2 3.41Å; Q302-F306 WeakPolarHBondContact O-CG 3.46Å; Q302-F306 PolarHBondContact O-N 2.76Å; Q302-L340 PolarHBondContact NE2-O 3.42Å; Q302-L340 VanDerWaalsContact NE2-O 3.15Å
303A95Very high92.7Very high7 Ų747.7 Ų47.76%0.05827%0.266CS..Hα-helixtrans-62.1-43.5173.400000112V298 D299 H300 F306 A307 L394V298-A303 HydrophobicContact CG1-CB 4.03Å; D299-A303 VanDerWaalsContact O-CB 3.28Å; D299-A303 WeakPolarHBondContact O-CB 3.35Å; D299-A303 PolarHBondContact O-N 3.33Å; H300-A303 PolarHBondContact O-N 3.04Å; A303-F306 PolarHBondContact O-N 3.11Å; A303-A307 PolarHBondContact O-N 3.43Å; A303-L394 HydrophobicContact CB-CB 4.32Å; A303-L394 HydrophobicContact CB-CD2 4.3Å
304L95.4Very high93.7Very high5 Ų537.9 Ų37.93%0.02622%0.22CC..Hα-helixtrans-66-39.9174.5-72.6176.3000112.1H300 A301 F306 A307 I308 L455 M458 A459H300-L304 WeakPolarHBondContact NE2-CD1 3.48Å; H300-L304 WeakPolarHBondContact O-CG 3.3Å; H300-L304 PolarHBondContact O-N 3.43Å; A301-L304 PolarHBondContact O-N 3.01Å; L304-F306 PolarHBondContact O-N 3.06Å; L304-A307 PolarHBondContact O-N 2.95Å; L304-I308 VanDerWaalsContact O-CG1 3.28Å; L304-I308 WeakPolarHBondContact O-CG1 3.48Å; L304-I308 PolarHBondContact O-N 2.94Å; L304-L455 HydrophobicContact CD2-CD2 4.42Å; L304-M458 HydrophobicContact CD1-CB 4.11Å; L304-M458 VanDerWaalsContact CD1-O 3.26Å; L304-M458 WeakPolarHBondContact CD1-O 3.48Å; L304-M458 HydrophobicContact CD2-CB 4.35Å; L304-M458 HydrophobicContact CD2-CE 4.01Å; L304-A459 HydrophobicContact CB-CB 4.3Å; L304-A459 HydrophobicContact CD1-CB 4.37Å
305K95.5Very high94.4Very high46 Ų4636.1 Ų36.120%0.221%0.208CC..Hα-helixtrans-56.9-49.8173.6-176-170.1170.3-154.40111A301 Q302 A307 I308 D309 E339 L340 C341A301-K305 PolarHBondContact O-N 2.93Å; Q302-K305 PolarHBondContact O-N 3.18Å; K305-A307 VanDerWaalsContact C-N 3.33Å; K305-A307 PolarHBondContact O-N 3.32Å; K305-I308 PolarHBondContact O-N 3.23Å; K305-D309 WeakPolarHBondContact O-CB 3.43Å; K305-D309 PolarHBondContact O-N 3.21Å; K305-E339 PolarHBondContact NZ-O 2.92Å; K305-L340 WeakPolarHBondContact CE-O 3.31Å; K305-L340 VanDerWaalsContact NZ-C 3.26Å; K305-L340 PolarHBondContact NZ-O 3.02Å; K305-C341 PolarHBondContact NZ-SG 3.5Å
306F97.4Very high95Very high0 Ų032.8 Ų32.80%017%0.174CC..Hα-helixtrans-59.7-42.7176-68.8-33.4000112.2L286 V298 Q302 A303 L304 I308 D309 I310 I336 L340 A342 L394L286-F306 HydrophobicContact CD1-CD2 3.99Å; L286-F306 HydrophobicContact CD1-CE2 4.21Å; V298-F306 HydrophobicContact CG1-CD2 4.03Å; V298-F306 HydrophobicContact CG1-CE2 3.93Å; V298-F306 HydrophobicContact CG2-CE2 3.8Å; Q302-F306 HydrophobicContact CG-CD2 4.27Å; Q302-F306 HydrophobicContact CG-CE2 3.8Å; Q302-F306 HydrophobicContact CG-CZ 3.96Å; Q302-F306 VanDerWaalsContact NE2-CD1 3.32Å; Q302-F306 WeakPolarHBondContact O-CD2 3.41Å; Q302-F306 WeakPolarHBondContact O-CG 3.46Å; Q302-F306 PolarHBondContact O-N 2.76Å; A303-F306 PolarHBondContact O-N 3.11Å; L304-F306 PolarHBondContact O-N 3.06Å; F306-I308 VanDerWaalsContact C-N 3.35Å; F306-I308 PolarHBondContact O-N 2.88Å; F306-D309 PolarHBondContact O-N 2.97Å; F306-I310 WeakPolarHBondContact O-CB 3.22Å; F306-I310 WeakPolarHBondContact O-CD1 3.46Å; F306-I310 WeakPolarHBondContact O-CG1 3.5Å; F306-I310 PolarHBondContact O-N 2.89Å; F306-I336 HydrophobicContact CD1-CD1 3.93Å; F306-I336 HydrophobicContact CE1-CD1 3.62Å; F306-I336 HydrophobicContact CE1-CG1 4.1Å; F306-I336 HydrophobicContact CE1-CG2 3.88Å; F306-I336 HydrophobicContact CZ-CD1 4.08Å; F306-I336 HydrophobicContact CZ-CG1 4.13Å; F306-I336 HydrophobicContact CZ-CG2 4.03Å; F306-L340 WeakPolarHBondContact CE1-O 3.5Å; F306-A342 HydrophobicContact CB-CB 4.37Å; F306-A342 HydrophobicContact CD1-CB 3.86Å; F306-A342 HydrophobicContact CG-CB 4.47Å; F306-L394 HydrophobicContact CB-CD1 4.45Å; F306-L394 HydrophobicContact CB-CD2 4.44Å; F306-L394 HydrophobicContact CD2-CD2 4.18Å
307A97.8Very high95.4Very high0 Ų031.9 Ų31.90%017%0.169CC..Hα-helixtrans-61.6-41.5176.600000112.4A303 L304 K305 A311 F387 L391 L394 L455A303-A307 PolarHBondContact O-N 3.43Å; L304-A307 PolarHBondContact O-N 2.95Å; K305-A307 VanDerWaalsContact C-N 3.33Å; K305-A307 PolarHBondContact O-N 3.32Å; A307-A311 VanDerWaalsContact O-CB 3.25Å; A307-A311 WeakPolarHBondContact O-CB 3.44Å; A307-A311 PolarHBondContact O-N 3.48Å; A307-F387 HydrophobicContact CB-CE2 4.32Å; A307-F387 HydrophobicContact CB-CZ 4.21Å; A307-F387 WeakPolarHBondContact O-CE2 3.36Å; A307-L391 HydrophobicContact CB-CD1 3.97Å; A307-L394 HydrophobicContact CB-CD1 4.28Å; A307-L455 HydrophobicContact CB-CD2 4.27Å
308I97.6Very high95.7Very high14 Ų1426.8 Ų26.87%0.07214%0.137CC..Hα-helixtrans-62.7-47.4175.7-68.8164.1000110.6L304 K305 F306 I310 A311 R312 L455 E456 A459L304-I308 VanDerWaalsContact O-CG1 3.28Å; L304-I308 WeakPolarHBondContact O-CG1 3.48Å; L304-I308 PolarHBondContact O-N 2.94Å; K305-I308 PolarHBondContact O-N 3.23Å; F306-I308 VanDerWaalsContact C-N 3.35Å; F306-I308 PolarHBondContact O-N 2.88Å; I308-I310 PolarHBondContact O-N 3.45Å; I308-A311 PolarHBondContact O-N 3.42Å; I308-R312 HydrophobicContact CG2-CG 4.38Å; I308-R312 WeakPolarHBondContact O-CB 3.26Å; I308-R312 WeakPolarHBondContact O-CG 3.45Å; I308-R312 PolarHBondContact O-N 2.95Å; I308-L455 HydrophobicContact CD1-CB 4.3Å; I308-L455 HydrophobicContact CG1-CB 3.55Å; I308-L455 HydrophobicContact CG1-CD1 4.44Å; I308-E456 HydrophobicContact CD1-CG 4.29Å; I308-A459 HydrophobicContact CD1-CB 3.88Å
309D97.7Very high95.8Very high11 Ų1130.7 Ų30.76%0.05916%0.161CC..Hα-helixtrans-59.6-47179.7-79.5-16.9000111.9N260 K305 F306 R312 G313 C341 A342N260-D309 VanDerWaalsContact CB-O 3.26Å; N260-D309 WeakPolarHBondContact CB-O 3.29Å; N260-D309 VanDerWaalsContact CG-O 3.31Å; N260-D309 WeakPolarHBondContact ND2-CB 3.39Å; N260-D309 PolarHBondContact ND2-OD1 3.18Å; N260-D309 VanDerWaalsContact ND2-OD1 3.12Å; K305-D309 WeakPolarHBondContact O-CB 3.43Å; K305-D309 PolarHBondContact O-N 3.21Å; F306-D309 PolarHBondContact O-N 2.97Å; D309-R312 PolarHBondContact O-N 2.94Å; D309-G313 PolarHBondContact O-N 3.26Å; D309-C341 WeakPolarHBondContact OD2-CA 3.49Å; D309-A342 HydrophobicContact CB-CB 3.74Å; D309-A342 PolarHBondContact OD2-N 3.32Å
310I98.3Very high95.7Very high1 Ų127.6 Ų27.61%0.00515%0.145CC..Hα-helixtrans-62-45.9176.1-64.9162.9000110.3L286 F306 I308 R312 G313 M314 L329 V334 A342 L344 F387 I390L286-I310 HydrophobicContact CD2-CD1 4.16Å; F306-I310 WeakPolarHBondContact O-CB 3.22Å; F306-I310 WeakPolarHBondContact O-CD1 3.46Å; F306-I310 WeakPolarHBondContact O-CG1 3.5Å; F306-I310 PolarHBondContact O-N 2.89Å; I308-I310 PolarHBondContact O-N 3.45Å; I310-R312 PolarHBondContact O-N 3.15Å; I310-G313 PolarHBondContact O-N 2.95Å; I310-M314 WeakPolarHBondContact O-CG 3.41Å; I310-M314 PolarHBondContact O-N 2.88Å; I310-L329 HydrophobicContact CG2-CD2 4.27Å; I310-V334 HydrophobicContact CD1-CG1 3.94Å; I310-V334 HydrophobicContact CD1-CG2 3.94Å; I310-V334 HydrophobicContact CG1-CG1 3.85Å; I310-V334 HydrophobicContact CG1-CG2 3.99Å; I310-A342 HydrophobicContact CG1-CB 4.03Å; I310-L344 HydrophobicContact CG2-CD2 4.27Å; I310-F387 HydrophobicContact CB-CD2 4.45Å; I310-F387 HydrophobicContact CB-CE2 4.37Å; I310-F387 HydrophobicContact CG2-CD2 3.81Å; I310-F387 HydrophobicContact CG2-CE2 4.23Å; I310-I390 HydrophobicContact CD1-CG2 3.91Å
311A98.2Very high95.4Very high0 Ų029.6 Ų29.60%016%0.159CC..Hα-helixtrans-62.3-42-179.500000112A307 I308 M314 A315 F387 F448 I451 I452 L455A307-A311 VanDerWaalsContact O-CB 3.25Å; A307-A311 WeakPolarHBondContact O-CB 3.44Å; A307-A311 PolarHBondContact O-N 3.48Å; I308-A311 PolarHBondContact O-N 3.42Å; A311-M314 PolarHBondContact O-N 3.34Å; A311-A315 WeakPolarHBondContact O-CB 3.36Å; A311-A315 PolarHBondContact O-N 2.54Å; A311-F387 HydrophobicContact CB-CE2 4.06Å; A311-F387 HydrophobicContact CB-CZ 4.26Å; A311-F448 HydrophobicContact CB-CD1 3.83Å; A311-F448 HydrophobicContact CB-CE1 4.4Å; A311-I451 HydrophobicContact CB-CD1 4.36Å; A311-I452 HydrophobicContact CB-CD1 4.49Å; A311-I452 HydrophobicContact CB-CG1 3.81Å; A311-L455 HydrophobicContact CB-CD1 3.95Å
312R97.7Very high95.1Very high96 Ų9630 Ų3036%0.36216%0.156SC..Hα-helixtrans-63.5-45.4175.1-74.5173.2175.8171.3-3.3111.8I308 D309 I310 M314 A315 F316 I452 E456I308-R312 HydrophobicContact CG2-CG 4.38Å; I308-R312 WeakPolarHBondContact O-CB 3.26Å; I308-R312 WeakPolarHBondContact O-CG 3.45Å; I308-R312 PolarHBondContact O-N 2.95Å; D309-R312 PolarHBondContact O-N 2.94Å; I310-R312 PolarHBondContact O-N 3.15Å; R312-M314 PolarHBondContact O-N 2.79Å; R312-A315 PolarHBondContact O-N 2.84Å; R312-F316 PolarHBondContact O-N 3.14Å; R312-I452 HydrophobicContact CG-CD1 3.97Å; R312-I452 HydrophobicContact CG-CG1 4.34Å; R312-I452 HydrophobicContact CG-CG2 4.35Å; R312-E456 IonicContact CZ-OE1 3.41Å; R312-E456 IonicContact NE-OE1 2.9Å; R312-E456 IonicContact NH2-OE1 3.69Å; R312-E456 PolarHBondContact NH2-OE1 2.97Å
313G97Very high94.9Very high0 Ų031.5 Ų31.50%017%0.169CC..Hα-helixtrans-57.3-48.1174.600000112.2D309 I310 F316 L317 L344D309-G313 PolarHBondContact O-N 3.26Å; I310-G313 PolarHBondContact O-N 2.95Å; G313-F316 PolarHBondContact O-N 3.19Å; G313-L317 WeakPolarHBondContact O-CG 3.46Å; G313-L317 PolarHBondContact O-N 3.42Å; G313-L344 VanDerWaalsContact C-CD1 3.41Å
314M97.6Very high94.7Very high2 Ų232.8 Ų32.81%0.0117%0.174CC..Hα-helixtrans-69-38.9-179.8-71.4-56-66.300112.9I310 A311 R312 F316 L317 H318 L327 L329 L344 D383 F448I310-M314 WeakPolarHBondContact O-CG 3.41Å; I310-M314 PolarHBondContact O-N 2.88Å; A311-M314 PolarHBondContact O-N 3.34Å; R312-M314 PolarHBondContact O-N 2.79Å; M314-F316 VanDerWaalsContact C-N 3.3Å; M314-F316 PolarHBondContact O-N 3.32Å; M314-L317 PolarHBondContact O-N 3.47Å; M314-L317 HydrophobicContact SD-CD1 4.11Å; M314-H318 WeakPolarHBondContact O-CB 3.48Å; M314-H318 PolarHBondContact O-CD2 2.81Å; M314-H318 PolarHBondContact O-N 2.65Å; M314-L327 HydrophobicContact SD-CD2 4.27Å; M314-L329 HydrophobicContact CE-CD2 4.41Å; M314-L329 HydrophobicContact CG-CD2 3.93Å; M314-L329 HydrophobicContact SD-CD1 4.49Å; M314-L329 HydrophobicContact SD-CD2 4.13Å; M314-L344 HydrophobicContact CG-CD1 3.8Å; M314-L344 HydrophobicContact SD-CD1 3.46Å; M314-L344 WeakPolarHBondContact SD-CD1 3.25Å; M314-L344 HydrophobicContact SD-CD2 4.27Å; M314-D383 HydrophobicContact CE-CB 3.67Å; M314-D383 WeakPolarHBondContact CE-OD2 3.28Å; M314-F448 HydrophobicContact CB-CD1 4Å; M314-F448 HydrophobicContact CB-CD2 3.64Å; M314-F448 HydrophobicContact CB-CE1 3.78Å; M314-F448 HydrophobicContact CB-CE2 3.42Å; M314-F448 VanDerWaalsContact CB-CE2 3.42Å; M314-F448 HydrophobicContact CB-CG 3.94Å; M314-F448 HydrophobicContact CB-CZ 3.49Å; M314-F448 VanDerWaalsContact CB-CZ 3.49Å; M314-F448 HydrophobicContact CE-CE2 4.41Å; M314-F448 HydrophobicContact CG-CE1 4.21Å; M314-F448 HydrophobicContact CG-CE2 4.11Å; M314-F448 HydrophobicContact CG-CZ 3.81Å
315A96.9Very high94.3Very high8 Ų836.3 Ų36.37%0.06619%0.191CC..Hα-helixtrans-54.4-50.1172.300000110.4A311 R312 H318 T319 F448 I452A311-A315 WeakPolarHBondContact O-CB 3.36Å; A311-A315 PolarHBondContact O-N 2.54Å; R312-A315 PolarHBondContact O-N 2.84Å; A315-H318 PolarHBondContact O-N 3Å; A315-T319 WeakPolarHBondContact O-CG2 3.39Å; A315-T319 PolarHBondContact O-N 3.24Å; A315-F448 HydrophobicContact CB-CB 3.66Å; A315-I452 HydrophobicContact CB-CD1 3.87Å
316F95.4Very high94Very high36 Ų3637.4 Ų37.416%0.15819%0.194CC..Hα-helixtrans-59.4-49.4176.5173-98.5000112.3V34 I255 S257 H258 V261 R312 G313 M314 H318 T319 L320V34-F316 HydrophobicContact CG1-CZ 4.17Å; I255-F316 HydrophobicContact CG2-CE1 3.6Å; I255-F316 HydrophobicContact CG2-CZ 4.25Å; S257-F316 VanDerWaalsContact OG-CZ 3.3Å; S257-F316 WeakPolarHBondContact OG-CZ 3.36Å; H258-F316 HydrophobicContact CB-CD1 3.6Å; H258-F316 HydrophobicContact CB-CD2 4.35Å; H258-F316 HydrophobicContact CB-CE1 3.75Å; H258-F316 HydrophobicContact CB-CE2 4.46Å; H258-F316 HydrophobicContact CB-CG 3.94Å; H258-F316 HydrophobicContact CB-CZ 4.19Å; H258-F316 VanDerWaalsContact CD2-CB 3.43Å; H258-F316 WeakPolarHBondContact CD2-CB 3.28Å; H258-F316 AromaticContact CD2-CD1 3.94Å; H258-F316 AromaticContact CD2-CD2 3.69Å; H258-F316 AromaticContact CD2-CG 3.37Å; H258-F316 WeakPolarHBondContact CD2-CG 3.48Å; H258-F316 AromaticContact CG-CD1 3.74Å; H258-F316 AromaticContact CG-CG 3.68Å; V261-F316 HydrophobicContact CG2-CD1 4.16Å; R312-F316 PolarHBondContact O-N 3.14Å; G313-F316 PolarHBondContact O-N 3.19Å; M314-F316 VanDerWaalsContact C-N 3.3Å; M314-F316 PolarHBondContact O-N 3.32Å; F316-H318 PolarHBondContact O-N 3.44Å; F316-T319 WeakPolarHBondContact O-CB 3.5Å; F316-T319 PolarHBondContact O-N 3.1Å; F316-T319 PolarHBondContact O-OG1 3.12Å; F316-L320 HydrophobicContact CE1-CD1 4.49Å; F316-L320 HydrophobicContact CE1-CD2 4.14Å; F316-L320 HydrophobicContact CZ-CD2 3.92Å
317L95.1Very high93.8Very high6 Ų638.1 Ų38.13%0.03120%0.198CC..Hα-helixtrans-60.2-32.9179-67.2-179.5000112.6I255 V261 G313 M314 T319 L320 I324 L327 L344 M346I255-L317 HydrophobicContact CD1-CD2 3.84Å; V261-L317 HydrophobicContact CG2-CD2 4.12Å; V261-L317 HydrophobicContact CG2-CG 4.4Å; G313-L317 WeakPolarHBondContact O-CG 3.46Å; G313-L317 PolarHBondContact O-N 3.42Å; M314-L317 PolarHBondContact O-N 3.47Å; M314-L317 HydrophobicContact SD-CD1 4.11Å; L317-T319 PolarHBondContact O-N 3.22Å; L317-L320 HydrophobicContact CD2-CD1 3.73Å; L317-L320 WeakPolarHBondContact O-CB 3.38Å; L317-L320 PolarHBondContact O-N 3.29Å; L317-I324 HydrophobicContact CD2-CG1 4.46Å; L317-L327 HydrophobicContact CD1-CD2 3.65Å; L317-L344 HydrophobicContact CD1-CD1 3.61Å; L317-L344 HydrophobicContact CG-CD1 4.4Å; L317-M346 HydrophobicContact CD1-CE 3.71Å; L317-M346 HydrophobicContact CD1-SD 4.28Å; L317-M346 HydrophobicContact CD2-CE 4.44Å; L317-M346 HydrophobicContact CD2-SD 4.08Å
318H94.7Very high93.6Very high24 Ų2441.3 Ų41.311%0.11121%0.21CC..Hα-helixtrans-69.5-18.6175.6-74.8-171.3000113.6M314 A315 F316 R380 D383 F448M314-H318 WeakPolarHBondContact O-CB 3.48Å; M314-H318 PolarHBondContact O-CD2 2.81Å; M314-H318 PolarHBondContact O-N 2.65Å; A315-H318 PolarHBondContact O-N 3Å; F316-H318 PolarHBondContact O-N 3.44Å; H318-R380 VanDerWaalsContact CE1-CA 3.41Å; H318-R380 WeakPolarHBondContact CE1-CA 3.18Å; H318-R380 VanDerWaalsContact CE1-CB 3.49Å; H318-R380 WeakPolarHBondContact CE1-CB 3.34Å; H318-R380 PolarHBondContact O-NH2 3.47Å; H318-D383 IonicContact CD2-OD2 3.75Å; H318-D383 IonicContact CE1-OD2 3.23Å; H318-D383 IonicContact NE2-OD2 2.9Å; H318-D383 PolarHBondContact NE2-OD2 3.34Å; H318-F448 AromaticContact CE1-CD2 3.67Å; H318-F448 AromaticContact CE1-CE2 3.56Å; H318-F448 AromaticContact ND1-CD2 3.74Å
319T92.2Very high93.5Very high94 Ų9440.8 Ų40.858%0.57721%0.207SC*.Hα-helixtrans-80.6-15.8173.670.30000114.1A315 F316 L317A315-T319 WeakPolarHBondContact O-CG2 3.39Å; A315-T319 PolarHBondContact O-N 3.24Å; F316-T319 WeakPolarHBondContact O-CB 3.5Å; F316-T319 PolarHBondContact O-N 3.1Å; F316-T319 PolarHBondContact O-OG1 3.12Å; L317-T319 PolarHBondContact O-N 3.22Å
320L90.5Very high93.4Very high26 Ų2640.6 Ų40.614%0.13621%0.206CC..  trans-68.2140.6-176.8-60.5176.5000111.4V34 I255 F316 L317 P322 P323 I324V34-L320 HydrophobicContact CG1-CD2 3.83Å; I255-L320 HydrophobicContact CD1-CD1 3.72Å; F316-L320 HydrophobicContact CE1-CD1 4.49Å; F316-L320 HydrophobicContact CE1-CD2 4.14Å; F316-L320 HydrophobicContact CZ-CD2 3.92Å; L317-L320 HydrophobicContact CD2-CD1 3.73Å; L317-L320 WeakPolarHBondContact O-CB 3.38Å; L317-L320 PolarHBondContact O-N 3.29Å; L320-P322 CarbonylContact O-C 3.57Å; L320-P323 WeakPolarHBondContact O-CA 3.43Å; L320-I324 HydrophobicContact CD1-CD1 4.34Å; L320-I324 HydrophobicContact CD1-CG1 3.92Å
321D85.4Confident93.4Very high155 Ų15540.6 Ų40.683%0.82921%0.206SC*.SBendtrans-129.2112.5174.1-172.224.5000109.7
322P87.3Confident93.2Very high68 Ų6843.5 Ų43.544%0.44222%0.222SC..SBendcis-71.6152.40.431-35.4000112.6L320L320-P322 CarbonylContact O-C 3.57Å
323P89.5Confident93Very high63 Ų6339.8 Ų39.841%0.40921%0.208SC..PPolyproline II helixtrans-66.5148.8177.228-35.3000111.3L320 Q325L320-P323 WeakPolarHBondContact O-CA 3.43Å; P323-Q325 PolarHBondContact O-N 2.99Å
324I91.3Very high93.1Very high33 Ų3339.8 Ų39.817%0.16921%0.208CC..PPolyproline II helixtrans-63.8123.6172.6-58.3-58.8000109.2R252 L253 I255 L317 L320 L327 T349R252-I324 WeakPolarHBondContact O-CD1 3.32Å; L253-I324 HydrophobicContact CD2-CG2 4.49Å; I255-I324 HydrophobicContact CD1-CD1 3.95Å; I255-I324 HydrophobicContact CD1-CG1 4.13Å; L317-I324 HydrophobicContact CD2-CG1 4.46Å; L320-I324 HydrophobicContact CD1-CD1 4.34Å; L320-I324 HydrophobicContact CD1-CG1 3.92Å; I324-L327 HydrophobicContact CG2-CB 4.21Å; I324-T349 HydrophobicContact CG2-CG2 3.74Å
325Q87Confident93Very high80 Ų8040.5 Ų40.537%0.37421%0.213SC..PPolyproline II helixtrans-95.6149.3-180-60.4-174.10.700110.2P323 L327 T349 F374P323-Q325 PolarHBondContact O-N 2.99Å; Q325-L327 VanDerWaalsContact C-N 3.26Å; Q325-L327 PolarHBondContact O-N 2.98Å; Q325-T349 VanDerWaalsContact O-CG2 3.24Å; Q325-T349 WeakPolarHBondContact O-CG2 3.09Å; Q325-F374 HydrophobicContact CB-CE1 4.1Å; Q325-F374 HydrophobicContact CB-CZ 4.18Å; Q325-F374 HydrophobicContact CG-CE1 4.07Å; Q325-F374 HydrophobicContact CG-CZ 4.45Å
326R90.6Very high92.9Very high68 Ų6840.1 Ų40.126%0.25721%0.21SC..SBendtrans58.431.9172.5-57.6177.3-97.6-94.4-4.3114.9Y328 K350 S352R326-Y328 HydrophobicContact CB-CE2 4.1Å; R326-K350 HydrophobicContact CB-CB 4.08Å; R326-K350 PolarHBondContact O-N 2.85Å; R326-S352 VanDerWaalsContact NH2-CB 3.34Å
327L92.7Very high92.7Very high16 Ų1639.2 Ų39.28%0.08421%0.207CC..  trans-86.9105.7161178.864000108.1M314 L317 I324 Q325 L329 M346 T349M314-L327 HydrophobicContact SD-CD2 4.27Å; L317-L327 HydrophobicContact CD1-CD2 3.65Å; I324-L327 HydrophobicContact CG2-CB 4.21Å; Q325-L327 VanDerWaalsContact C-N 3.26Å; Q325-L327 PolarHBondContact O-N 2.98Å; L327-L329 PolarHBondContact O-N 2.83Å; L327-M346 HydrophobicContact CD2-CE 4.17Å; L327-T349 HydrophobicContact CB-CG2 4.44Å
328Y93Very high92.2Very high67 Ų6743.4 Ų43.426%0.26323%0.226SC..  trans-97.288179-57.6-71.2000109.4R326 N330 H333 K350 M365R326-Y328 HydrophobicContact CB-CE2 4.1Å; Y328-N330 PolarHBondContact O-N 2.85Å; Y328-N330 PolarHBondContact O-ND2 3.49Å; Y328-H333 PolarHBondContact O-CE1 3.29Å; Y328-H333 PolarHBondContact O-ND1 3.29Å; Y328-K350 HydrophobicContact CD2-CG 4.13Å; Y328-K350 HydrophobicContact CE2-CG 4.08Å; Y328-M365 HydrophobicContact CD1-CE 3.86Å; Y328-M365 HydrophobicContact CE1-CE 4Å
329L96.1Very high91.8Very high3 Ų346 Ų462%0.01624%0.238CC..  trans-55.2128.4-173.5-179.563.8000112.2I310 M314 L327 V334 L344 S386 F387 I390I310-L329 HydrophobicContact CG2-CD2 4.27Å; M314-L329 HydrophobicContact CE-CD2 4.41Å; M314-L329 HydrophobicContact CG-CD2 3.93Å; M314-L329 HydrophobicContact SD-CD1 4.49Å; M314-L329 HydrophobicContact SD-CD2 4.13Å; L327-L329 PolarHBondContact O-N 2.83Å; L329-V334 HydrophobicContact CD1-CG2 4.11Å; L329-L344 HydrophobicContact CD1-CD2 3.68Å; L329-S386 WeakPolarHBondContact O-CB 3.33Å; L329-F387 HydrophobicContact CD2-CB 4.19Å; L329-I390 HydrophobicContact CD1-CD1 3.83Å; L329-I390 HydrophobicContact CD2-CD1 4.14Å; L329-I390 HydrophobicContact CG-CD1 3.62Å
330N96.1Very high91.7Very high7 Ų743.9 Ų43.94%0.03722%0.223CC..  trans-154.9177.2173.261.144.1000108.5Y328 D332 H333 W364Y328-N330 PolarHBondContact O-N 2.85Å; Y328-N330 PolarHBondContact O-ND2 3.49Å; N330-D332 VanDerWaalsContact C-N 3.29Å; N330-D332 PolarHBondContact O-N 2.77Å; N330-D332 WeakPolarHBondContact OD1-CA 3.38Å; N330-D332 VanDerWaalsContact OD1-CB 3.3Å; N330-D332 WeakPolarHBondContact OD1-CB 3.24Å; N330-D332 PolarHBondContact OD1-N 3.23Å; N330-H333 PolarHBondContact ND2-CE1 3.12Å; N330-H333 VanDerWaalsContact ND2-CE1 3.32Å; N330-H333 PolarHBondContact ND2-NE2 3.43Å; N330-H333 PolarHBondContact O-N 3.4Å; N330-H333 PolarHBondContact OD1-CD2 2.74Å; N330-H333 VanDerWaalsContact OD1-CD2 3.24Å; N330-H333 PolarHBondContact OD1-N 3.15Å; N330-W364 HydrophobicContact CB-CB 4.09Å; N330-W364 HydrophobicContact CB-CD2 3.8Å; N330-W364 HydrophobicContact CB-CE3 4.2Å; N330-W364 HydrophobicContact CB-CG 3.74Å
331S96.4Very high91.8Very high0 Ų043.7 Ų43.70%022%0.224CC..G310 helixtrans-69.2-19.7-179.3500000114.7L286 Y287 E393L286-S331 WeakPolarHBondContact CB-O 3.46Å; L286-S331 PolarHBondContact N-O 3.22Å; Y287-S331 PolarHBondContact N-O 2.87Å; S331-E393 VanDerWaalsContact CB-OE1 3.27Å; S331-E393 WeakPolarHBondContact CB-OE1 3.25Å; S331-E393 VanDerWaalsContact CB-OE2 3.3Å; S331-E393 WeakPolarHBondContact CB-OE2 3.36Å; S331-E393 VanDerWaalsContact OG-CD 3.28Å; S331-E393 PolarHBondContact OG-OE1 3.41Å; S331-E393 PolarHBondContact OG-OE2 3.1Å; S331-E393 VanDerWaalsContact OG-OE2 3.14Å
332D94Very high92.4Very high62 Ų6236.3 Ų36.333%0.33218%0.184SC..G310 helixtrans-71.9-31172.3-73.5-47.6000112.7S285 Y287 N330 V334S285-D332 VanDerWaalsContact CB-O 3.31Å; S285-D332 WeakPolarHBondContact CB-O 3.42Å; Y287-D332 WeakPolarHBondContact CB-OD1 3.03Å; N330-D332 VanDerWaalsContact C-N 3.29Å; N330-D332 PolarHBondContact O-N 2.77Å; N330-D332 WeakPolarHBondContact OD1-CA 3.38Å; N330-D332 VanDerWaalsContact OD1-CB 3.3Å; N330-D332 WeakPolarHBondContact OD1-CB 3.24Å; N330-D332 PolarHBondContact OD1-N 3.23Å; D332-V334 VanDerWaalsContact C-N 3.29Å
333H95.2Very high92.8Very high17 Ų1734.8 Ų34.88%0.07917%0.171CC..G310 helixtrans-85.2-4-177.2-60.6178.2000113.2Y328 N330 S345 D348Y328-H333 PolarHBondContact O-CE1 3.29Å; Y328-H333 PolarHBondContact O-ND1 3.29Å; N330-H333 PolarHBondContact ND2-CE1 3.12Å; N330-H333 VanDerWaalsContact ND2-CE1 3.32Å; N330-H333 PolarHBondContact ND2-NE2 3.43Å; N330-H333 PolarHBondContact O-N 3.4Å; N330-H333 PolarHBondContact OD1-CD2 2.74Å; N330-H333 VanDerWaalsContact OD1-CD2 3.24Å; N330-H333 PolarHBondContact OD1-N 3.15Å; H333-S345 WeakPolarHBondContact O-CB 3.41Å; H333-S345 PolarHBondContact O-N 2.99Å; H333-D348 HydrophobicContact CB-CB 4.15Å; H333-D348 VanDerWaalsContact CD2-CB 3.41Å; H333-D348 WeakPolarHBondContact CD2-CB 3.39Å
334V97.4Very high93.2Very high0 Ų032 Ų320%015%0.152CC..EExtended strand (participates in β ladder)trans-100.6115.8174.1-179.50000107.5S285 L286 I310 L329 D332 I336 A342 K343 L344 I390S285-V334 CarbonylContact C-O 3.16Å; S285-V334 WeakPolarHBondContact CA-O 3.3Å; L286-V334 HydrophobicContact CB-CB 3.93Å; L286-V334 HydrophobicContact CB-CG1 4.07Å; L286-V334 HydrophobicContact CD2-CB 4.44Å; L286-V334 HydrophobicContact CD2-CG1 4.38Å; L286-V334 PolarHBondContact N-O 3.12Å; I310-V334 HydrophobicContact CD1-CG1 3.94Å; I310-V334 HydrophobicContact CD1-CG2 3.94Å; I310-V334 HydrophobicContact CG1-CG1 3.85Å; I310-V334 HydrophobicContact CG1-CG2 3.99Å; L329-V334 HydrophobicContact CD1-CG2 4.11Å; D332-V334 VanDerWaalsContact C-N 3.29Å; V334-I336 HydrophobicContact CG1-CD1 4.11Å; V334-A342 HydrophobicContact CG1-CB 3.72Å; V334-K343 CarbonylContact C-O 3.47Å; V334-K343 WeakPolarHBondContact CA-O 3.43Å; V334-L344 HydrophobicContact CG2-CD2 4.17Å; V334-I390 HydrophobicContact CG2-CD1 4.22Å
335V96.1Very high93.5Very high18 Ų1830.6 Ų30.611%0.10915%0.146CC..EExtended strand (participates in β ladder)trans-106.2146177.7-63.40000111.1C262 M281 G284 K343C262-V335 HydrophobicContact CB-CG2 3.93Å; M281-V335 HydrophobicContact CB-CB 4.14Å; M281-V335 HydrophobicContact CE-CG2 4.05Å; M281-V335 HydrophobicContact CG-CB 3.79Å; M281-V335 HydrophobicContact CG-CG2 3.71Å; M281-V335 HydrophobicContact SD-CG2 4.37Å; G284-V335 WeakPolarHBondContact O-CA 3.41Å; V335-K343 HydrophobicContact CG2-CB 4.07Å; V335-K343 PolarHBondContact N-O 2.84Å; V335-K343 PolarHBondContact O-N 3.03Å
336I95Very high93.9Very high0 Ų026.8 Ų26.80%013%0.128CC..EExtended strand (participates in β ladder)trans-111.4127.9-176.1-53.6-48.7000110.6F283 G284 I289 F306 V334 L340 A342F283-I336 HydrophobicContact CB-CB 4.24Å; F283-I336 HydrophobicContact CB-CG2 4.47Å; F283-I336 HydrophobicContact CD2-CG2 4.09Å; G284-I336 PolarHBondContact O-N 3.04Å; I289-I336 HydrophobicContact CD1-CB 3.66Å; I289-I336 HydrophobicContact CD1-CG1 3.31Å; I289-I336 HydrophobicContact CD1-CG2 4.02Å; F306-I336 HydrophobicContact CD1-CD1 3.93Å; F306-I336 HydrophobicContact CE1-CD1 3.62Å; F306-I336 HydrophobicContact CE1-CG1 4.1Å; F306-I336 HydrophobicContact CE1-CG2 3.88Å; F306-I336 HydrophobicContact CZ-CD1 4.08Å; F306-I336 HydrophobicContact CZ-CG1 4.13Å; F306-I336 HydrophobicContact CZ-CG2 4.03Å; V334-I336 HydrophobicContact CG1-CD1 4.11Å; I336-L340 HydrophobicContact CG2-CD2 4.31Å; I336-A342 HydrophobicContact CD1-CB 3.55Å
337D90.4Very high94Very high16 Ų1623.9 Ų23.99%0.08612%0.118CC..  trans-86176.1177.473.38.9000113.3M281 F283 E339 L340 C341 K343M281-D337 HydrophobicContact SD-CB 3.92Å; F283-D337 WeakPolarHBondContact CD2-O 3.02Å; F283-D337 VanDerWaalsContact CE2-O 3.28Å; F283-D337 WeakPolarHBondContact CE2-O 3.41Å; D337-E339 PolarHBondContact O-N 3.42Å; D337-E339 WeakPolarHBondContact OD1-CA 3.49Å; D337-E339 PolarHBondContact OD1-N 3.29Å; D337-L340 PolarHBondContact O-N 3.2Å; D337-L340 PolarHBondContact OD1-N 2.86Å; D337-C341 PolarHBondContact N-O 3.46Å; D337-C341 WeakPolarHBondContact OD1-CB 3.29Å; D337-C341 PolarHBondContact OD1-N 3.44Å; D337-K343 WeakPolarHBondContact OD2-CE 3.37Å; D337-K343 IonicContact OD2-NZ 3.82Å; D337-K343 PolarHBondContact OD2-NZ 3.18Å
338E86.1Confident94.1Very high94 Ų9423.7 Ų23.744%0.43912%0.117SC..THydrogen-bonded Turntrans-59.7-22.7179.264.7-165.7-162.100114.8T186 P282 L340T186-E338 WeakPolarHBondContact CB-OE2 3.4Å; T186-E338 VanDerWaalsContact CG2-OE2 3.23Å; T186-E338 WeakPolarHBondContact CG2-OE2 3.41Å; T186-E338 PolarHBondContact OG1-OE1 3.1Å; T186-E338 PolarHBondContact OG1-OE2 3.41Å; P282-E338 HydrophobicContact CG-CB 4.23Å; E338-L340 VanDerWaalsContact C-N 3.27Å
339E85.1Confident94.1Very high79 Ų7920.8 Ų20.837%0.36911%0.107SC..THydrogen-bonded Turntrans-9110.6177.6-58.8-173.7169.800112.3K305 D337 C341K305-E339 PolarHBondContact NZ-O 2.92Å; D337-E339 PolarHBondContact O-N 3.42Å; D337-E339 WeakPolarHBondContact OD1-CA 3.49Å; D337-E339 PolarHBondContact OD1-N 3.29Å; E339-C341 PolarHBondContact O-N 2.85Å
340L91.2Very high94Very high49 Ų4921.9 Ų21.926%0.25711%0.111SC..SBendtrans56.935.6-175.5-59.7173000112.4F283 I296 Q302 K305 F306 I336 D337 E338F283-L340 HydrophobicContact CD2-CD2 4.08Å; F283-L340 HydrophobicContact CE2-CD2 3.71Å; F283-L340 HydrophobicContact CZ-CD2 4.24Å; I296-L340 HydrophobicContact CD1-CD2 3.47Å; I296-L340 VanDerWaalsContact CD1-CD2 3.47Å; I296-L340 HydrophobicContact CG1-CD2 4.03Å; I296-L340 HydrophobicContact CG2-CD2 4.1Å; Q302-L340 PolarHBondContact NE2-O 3.42Å; Q302-L340 VanDerWaalsContact NE2-O 3.15Å; K305-L340 WeakPolarHBondContact CE-O 3.31Å; K305-L340 VanDerWaalsContact NZ-C 3.26Å; K305-L340 PolarHBondContact NZ-O 3.02Å; F306-L340 WeakPolarHBondContact CE1-O 3.5Å; I336-L340 HydrophobicContact CG2-CD2 4.31Å; D337-L340 PolarHBondContact O-N 3.2Å; D337-L340 PolarHBondContact OD1-N 2.86Å; E338-L340 VanDerWaalsContact C-N 3.27Å
341C92.8Very high93.9Very high22 Ų2221.8 Ų21.815%0.14911%0.11CC..  trans-97.8136.4174.9-620000109.7K305 D309 D337 E339K305-C341 PolarHBondContact NZ-SG 3.5Å; D309-C341 WeakPolarHBondContact OD2-CA 3.49Å; D337-C341 PolarHBondContact N-O 3.46Å; D337-C341 WeakPolarHBondContact OD1-CB 3.29Å; D337-C341 PolarHBondContact OD1-N 3.44Å; E339-C341 PolarHBondContact O-N 2.85Å
342A96.7Very high93.7Very high0 Ų023.2 Ų23.20%012%0.12CC..EExtended strand (participates in β ladder)trans-83.6136177.300000111.4N260 F306 D309 I310 V334 I336N260-A342 PolarHBondContact ND2-O 3.4Å; F306-A342 HydrophobicContact CB-CB 4.37Å; F306-A342 HydrophobicContact CD1-CB 3.86Å; F306-A342 HydrophobicContact CG-CB 4.47Å; D309-A342 HydrophobicContact CB-CB 3.74Å; D309-A342 PolarHBondContact OD2-N 3.32Å; I310-A342 HydrophobicContact CG1-CB 4.03Å; V334-A342 HydrophobicContact CG1-CB 3.72Å; I336-A342 HydrophobicContact CD1-CB 3.55Å
343K97.1Very high93.7Very high37 Ų3721.2 Ų21.216%0.16111%0.109CC..EExtended strand (participates in β ladder)trans-130.8138.9178.8-56.8-174.3-179.7169.70111P259 N260 C262 M281 V334 V335 D337 S345P259-K343 VanDerWaalsContact O-CE 3.24Å; P259-K343 WeakPolarHBondContact O-CE 3.34Å; N260-K343 CarbonylContact O-C 3.04Å; N260-K343 WeakPolarHBondContact O-CA 3.26Å; C262-K343 HydrophobicContact CB-CB 4.03Å; M281-K343 HydrophobicContact CE-CD 3.98Å; V334-K343 CarbonylContact C-O 3.47Å; V334-K343 WeakPolarHBondContact CA-O 3.43Å; V335-K343 HydrophobicContact CG2-CB 4.07Å; V335-K343 PolarHBondContact N-O 2.84Å; V335-K343 PolarHBondContact O-N 3.03Å; D337-K343 WeakPolarHBondContact OD2-CE 3.37Å; D337-K343 IonicContact OD2-NZ 3.82Å; D337-K343 PolarHBondContact OD2-NZ 3.18Å; K343-S345 PolarHBondContact O-N 3.47Å
344L97.4Very high93.5Very high3 Ų321.2 Ų21.22%0.01611%0.109CC..EExtended strand (participates in β ladder)trans-79.9116.8174.3-60.7173.5000109.5N260 C262 I310 G313 M314 L317 L329 V334 M346N260-L344 PolarHBondContact O-N 3.02Å; C262-L344 PolarHBondContact N-O 3.4Å; I310-L344 HydrophobicContact CG2-CD2 4.27Å; G313-L344 VanDerWaalsContact C-CD1 3.41Å; M314-L344 HydrophobicContact CG-CD1 3.8Å; M314-L344 HydrophobicContact SD-CD1 3.46Å; M314-L344 WeakPolarHBondContact SD-CD1 3.25Å; M314-L344 HydrophobicContact SD-CD2 4.27Å; L317-L344 HydrophobicContact CD1-CD1 3.61Å; L317-L344 HydrophobicContact CG-CD1 4.4Å; L329-L344 HydrophobicContact CD1-CD2 3.68Å; V334-L344 HydrophobicContact CG2-CD2 4.17Å; L344-M346 HydrophobicContact CB-CE 3.66Å; L344-M346 WeakPolarHBondContact O-CE 3.31Å; L344-M346 PolarHBondContact O-N 3.42Å
345S96.6Very high93Very high5 Ų523.3 Ų23.34%0.03512%0.119CC..EExtended strand (participates in β ladder)trans-75.9111.7179.9170.60000111.2H333 K343 A347 D348H333-S345 WeakPolarHBondContact O-CB 3.41Å; H333-S345 PolarHBondContact O-N 2.99Å; K343-S345 PolarHBondContact O-N 3.47Å; S345-A347 PolarHBondContact O-N 3.43Å; S345-D348 WeakPolarHBondContact CB-OD2 3.43Å; S345-D348 PolarHBondContact O-N 3.1Å; S345-D348 PolarHBondContact OG-OD2 3.17Å
346M95.5Very high92.3Very high0 Ų029.2 Ų29.20%014%0.143CC..G310 helixtrans-72.2-22.4178.2-63.5-59.697.100112.2L253 I255 V261 C262 V264 L317 L327 L344 D348 T349L253-M346 HydrophobicContact CB-CB 4.09Å; L253-M346 WeakPolarHBondContact O-CB 3.38Å; I255-M346 HydrophobicContact CD1-CG 4.3Å; I255-M346 HydrophobicContact CD1-SD 3.89Å; V261-M346 HydrophobicContact CG1-CE 4.11Å; V261-M346 HydrophobicContact CG1-CG 3.53Å; V261-M346 HydrophobicContact CG1-SD 4.02Å; C262-M346 WeakPolarHBondContact O-CB 3.4Å; C262-M346 WeakPolarHBondContact O-CG 3.36Å; C262-M346 PolarHBondContact O-N 3.09Å; V264-M346 HydrophobicContact CG2-CB 4.22Å; L317-M346 HydrophobicContact CD1-CE 3.71Å; L317-M346 HydrophobicContact CD1-SD 4.28Å; L317-M346 HydrophobicContact CD2-CE 4.44Å; L317-M346 HydrophobicContact CD2-SD 4.08Å; L327-M346 HydrophobicContact CD2-CE 4.17Å; L344-M346 HydrophobicContact CB-CE 3.66Å; L344-M346 WeakPolarHBondContact O-CE 3.31Å; L344-M346 PolarHBondContact O-N 3.42Å; M346-D348 PolarHBondContact O-N 3.49Å; M346-T349 VanDerWaalsContact O-CB 3.3Å; M346-T349 WeakPolarHBondContact O-CB 3.27Å; M346-T349 PolarHBondContact O-N 3.02Å; M346-T349 VanDerWaalsContact O-N 3.14Å; M346-T349 PolarHBondContact O-OG1 3.32Å
347A93.8Very high91.6Very high6 Ų637.5 Ų37.55%0.0519%0.187CC..G310 helixtrans-65.3-13.9174.700000113.6V264 S345V264-A347 HydrophobicContact CG2-CB 4.12Å; S345-A347 PolarHBondContact O-N 3.43Å
348D93Very high91.5Very high12 Ų1242.6 Ų42.66%0.06421%0.205CC..G310 helixtrans-92.8-4.6176.9-64.7-49.4000113.9R231 H333 S345 M346 K350R231-D348 IonicContact CZ-OD1 2.64Å; R231-D348 IonicContact NE-OD1 3.7Å; R231-D348 PolarHBondContact NE-OD1 2.94Å; R231-D348 IonicContact NH2-OD1 3.86Å; R231-D348 PolarHBondContact NH2-OD1 2.7Å; R231-D348 IonicContact NH2-OD2 3.32Å; H333-D348 HydrophobicContact CB-CB 4.15Å; H333-D348 VanDerWaalsContact CD2-CB 3.41Å; H333-D348 WeakPolarHBondContact CD2-CB 3.39Å; S345-D348 WeakPolarHBondContact CB-OD2 3.43Å; S345-D348 PolarHBondContact O-N 3.1Å; S345-D348 PolarHBondContact OG-OD2 3.17Å; M346-D348 PolarHBondContact O-N 3.49Å; D348-K350 PolarHBondContact O-N 2.83Å
349T94.1Very high91.7Very high7 Ų741.4 Ų41.44%0.04320%0.202CC..SBendtrans-65.1132.2172.3-50.60000110L253 I324 Q325 L327 M346L253-T349 HydrophobicContact CD2-CG2 3.85Å; I324-T349 HydrophobicContact CG2-CG2 3.74Å; Q325-T349 VanDerWaalsContact O-CG2 3.24Å; Q325-T349 WeakPolarHBondContact O-CG2 3.09Å; L327-T349 HydrophobicContact CB-CG2 4.44Å; M346-T349 VanDerWaalsContact O-CB 3.3Å; M346-T349 WeakPolarHBondContact O-CB 3.27Å; M346-T349 PolarHBondContact O-N 3.02Å; M346-T349 VanDerWaalsContact O-N 3.14Å; M346-T349 PolarHBondContact O-OG1 3.32Å
350K93.9Very high92Very high26 Ų2641.6 Ų41.611%0.11320%0.199CC..PPolyproline II helixtrans-82127.4-178.6-54.1-61.4-179.3174.70111.6S215 R326 Y328 D348 Q354 E355S215-K350 PolarHBondContact OG-NZ 3.37Å; R326-K350 HydrophobicContact CB-CB 4.08Å; R326-K350 PolarHBondContact O-N 2.85Å; Y328-K350 HydrophobicContact CD2-CG 4.13Å; Y328-K350 HydrophobicContact CE2-CG 4.08Å; D348-K350 PolarHBondContact O-N 2.83Å; K350-Q354 HydrophobicContact CB-CB 4.49Å; K350-E355 WeakPolarHBondContact CE-OE2 3.46Å; K350-E355 IonicContact NZ-OE1 3.69Å; K350-E355 PolarHBondContact NZ-OE1 3.34Å; K350-E355 IonicContact NZ-OE2 2.88Å; K350-E355 PolarHBondContact NZ-OE2 3.01Å
351F94.2Very high92.1Very high4 Ų441.1 Ų41.12%0.01820%0.2CC..PPolyproline II helixtrans-66.1156169.4-66.2-83.2000111.5L233 F246 E249 L253 T276 F353 Q354L233-F351 HydrophobicContact CD1-CD2 3.76Å; L233-F351 HydrophobicContact CD1-CE2 3.99Å; F246-F351 AromaticContact CD2-CD1 3.89Å; F246-F351 HydrophobicContact CD2-CD1 3.89Å; F246-F351 HydrophobicContact CD2-CD2 4.03Å; F246-F351 AromaticContact CD2-CE1 3.57Å; F246-F351 HydrophobicContact CD2-CE1 3.57Å; F246-F351 AromaticContact CD2-CE2 3.76Å; F246-F351 HydrophobicContact CD2-CE2 3.76Å; F246-F351 HydrophobicContact CD2-CG 4.12Å; F246-F351 AromaticContact CD2-CZ 3.52Å; F246-F351 HydrophobicContact CD2-CZ 3.52Å; F246-F351 HydrophobicContact CE2-CD2 4.15Å; F246-F351 AromaticContact CE2-CE1 3.89Å; F246-F351 HydrophobicContact CE2-CE1 3.89Å; F246-F351 AromaticContact CE2-CE2 3.48Å; F246-F351 HydrophobicContact CE2-CE2 3.48Å; F246-F351 VanDerWaalsContact CE2-CE2 3.48Å; F246-F351 AromaticContact CE2-CZ 3.32Å; F246-F351 HydrophobicContact CE2-CZ 3.32Å; F246-F351 HydrophobicContact CZ-CZ 4.44Å; E249-F351 HydrophobicContact CB-CD1 3.72Å; E249-F351 HydrophobicContact CB-CE1 3.99Å; E249-F351 WeakPolarHBondContact OE2-CA 3.43Å; L253-F351 HydrophobicContact CD1-CE1 4.17Å; L253-F351 HydrophobicContact CD1-CZ 3.82Å; T276-F351 HydrophobicContact CG2-CE2 3.74Å; T276-F351 HydrophobicContact CG2-CZ 3.79Å; F351-F353 HydrophobicContact CB-CD1 4.07Å; F351-F353 HydrophobicContact CB-CD2 4.33Å; F351-F353 HydrophobicContact CB-CE1 3.56Å; F351-F353 HydrophobicContact CB-CE2 3.84Å; F351-F353 HydrophobicContact CB-CG 4.43Å; F351-F353 HydrophobicContact CB-CZ 3.43Å; F351-F353 VanDerWaalsContact CB-CZ 3.43Å; F351-F353 HydrophobicContact CD1-CE1 4.37Å; F351-F353 HydrophobicContact CD1-CZ 4.34Å; F351-F353 HydrophobicContact CD2-CZ 4.25Å; F351-F353 HydrophobicContact CG-CE1 4.09Å; F351-F353 HydrophobicContact CG-CE2 4.42Å; F351-F353 AromaticContact CG-CZ 3.76Å; F351-F353 HydrophobicContact CG-CZ 3.76Å; F351-F353 PolarHBondContact O-N 3.26Å; F351-Q354 HydrophobicContact CB-CG 4.23Å; F351-Q354 PolarHBondContact O-N 2.92Å
352S93Very high92.2Very high30 Ų3040.2 Ų40.221%0.2119%0.194CC..THydrogen-bonded Turntrans-57.5-21.8-176.669.30000115.3E249 R326 K356E249-S352 WeakPolarHBondContact OE1-CB 3.49Å; E249-S352 PolarHBondContact OE1-OG 3.24Å; E249-S352 PolarHBondContact OE2-N 3.38Å; R326-S352 VanDerWaalsContact NH2-CB 3.34Å; S352-K356 WeakPolarHBondContact O-CE 3.49Å
353F92.8Very high92.2Very high21 Ų2140.3 Ų40.39%0.09220%0.195CC..THydrogen-bonded Turntrans-94.1-12.3179.553.1-100.6000114.3L233 L235 I242 D245 F246 L274 F351L233-F353 HydrophobicContact CD1-CE2 4.18Å; L233-F353 HydrophobicContact CD1-CZ 4.38Å; L235-F353 HydrophobicContact CD1-CD2 4.12Å; L235-F353 HydrophobicContact CD1-CE2 3.76Å; L235-F353 HydrophobicContact CD2-CD2 3.94Å; L235-F353 HydrophobicContact CD2-CE2 4.16Å; I242-F353 HydrophobicContact CB-CG 4.48Å; I242-F353 HydrophobicContact CG1-CB 4.11Å; I242-F353 HydrophobicContact CG1-CG 4.23Å; I242-F353 HydrophobicContact CG2-CD1 3.98Å; I242-F353 HydrophobicContact CG2-CD2 3.76Å; I242-F353 HydrophobicContact CG2-CE1 4.04Å; I242-F353 HydrophobicContact CG2-CE2 3.85Å; I242-F353 HydrophobicContact CG2-CG 3.83Å; I242-F353 HydrophobicContact CG2-CZ 3.97Å; D245-F353 HydrophobicContact CB-CD1 4.11Å; D245-F353 HydrophobicContact CB-CE1 4.36Å; F246-F353 HydrophobicContact CB-CE1 3.82Å; F246-F353 HydrophobicContact CB-CZ 3.84Å; F246-F353 AromaticContact CD2-CZ 3.95Å; F246-F353 HydrophobicContact CD2-CZ 3.95Å; F246-F353 HydrophobicContact CG-CZ 4.33Å; L274-F353 HydrophobicContact CD1-CE2 4.33Å; L274-F353 HydrophobicContact CD1-CZ 4.09Å; F351-F353 HydrophobicContact CB-CD1 4.07Å; F351-F353 HydrophobicContact CB-CD2 4.33Å; F351-F353 HydrophobicContact CB-CE1 3.56Å; F351-F353 HydrophobicContact CB-CE2 3.84Å; F351-F353 HydrophobicContact CB-CG 4.43Å; F351-F353 HydrophobicContact CB-CZ 3.43Å; F351-F353 VanDerWaalsContact CB-CZ 3.43Å; F351-F353 HydrophobicContact CD1-CE1 4.37Å; F351-F353 HydrophobicContact CD1-CZ 4.34Å; F351-F353 HydrophobicContact CD2-CZ 4.25Å; F351-F353 HydrophobicContact CG-CE1 4.09Å; F351-F353 HydrophobicContact CG-CE2 4.42Å; F351-F353 AromaticContact CG-CZ 3.76Å; F351-F353 HydrophobicContact CG-CZ 3.76Å; F351-F353 PolarHBondContact O-N 3.26Å
354Q91.7Very high92.2Very high17 Ų1739.3 Ų39.38%0.07919%0.19CC..SBendtrans-80.7146.3-177.7-70.9-176.8-66.400112.3L235 K350 F351 K356L235-Q354 HydrophobicContact CD2-CG 4.29Å; K350-Q354 HydrophobicContact CB-CB 4.49Å; F351-Q354 HydrophobicContact CB-CG 4.23Å; F351-Q354 PolarHBondContact O-N 2.92Å; Q354-K356 PolarHBondContact O-N 2.71Å
355E86.3Confident92.2Very high43 Ų4339.7 Ų39.720%0.20119%0.192CC..SBendtrans48.333.4162.8-60.8175.1-161.100115.3S215 K350 N357 R358 Y360S215-E355 WeakPolarHBondContact CA-OE1 3.42Å; S215-E355 WeakPolarHBondContact CB-OE1 3.42Å; S215-E355 PolarHBondContact OG-OE1 3.24Å; K350-E355 WeakPolarHBondContact CE-OE2 3.46Å; K350-E355 IonicContact NZ-OE1 3.69Å; K350-E355 PolarHBondContact NZ-OE1 3.34Å; K350-E355 IonicContact NZ-OE2 2.88Å; K350-E355 PolarHBondContact NZ-OE2 3.01Å; E355-N357 PolarHBondContact O-N 2.95Å; E355-R358 HydrophobicContact CB-CB 4.39Å; E355-R358 PolarHBondContact O-N 3.07Å; E355-Y360 HydrophobicContact CG-CE2 3.99Å
356K81.4Confident92.2Very high143 Ų14339.5 Ų39.562%0.62219%0.191SC*.THydrogen-bonded Turntrans-55.8112.2178.5-63.1-172.9-176.2-178.80109.5S352 Q354S352-K356 WeakPolarHBondContact O-CE 3.49Å; Q354-K356 PolarHBondContact O-N 2.71Å
357N81.1Confident92.2Very high173 Ų17339.7 Ų39.793%0.92519%0.192SC*.THydrogen-bonded Turntrans69.723.2-177.3-44.3-41.5000115.7E355E355-N357 PolarHBondContact O-N 2.95Å
358R87.6Confident92.3Very high123 Ų12340 Ų4046%0.46419%0.192SC..  trans-125.3135.3173.4-61.8-177.2-177.3177.7-0.3109.6E355 Y360E355-R358 HydrophobicContact CB-CB 4.39Å; E355-R358 PolarHBondContact O-N 3.07Å; R358-Y360 HydrophobicContact CB-CE2 4.2Å
359L89.6Confident92.4Very high70 Ų7040.4 Ų40.437%0.36620%0.197SC..  trans-133.3126.4176.6-66.4170.7000108M365 L370L359-M365 HydrophobicContact CD1-CE 3.9Å; L359-M365 HydrophobicContact CD1-SD 3.8Å; L359-M365 HydrophobicContact CD2-CE 4.13Å; L359-M365 HydrophobicContact CD2-SD 3.92Å; L359-M365 HydrophobicContact CG-SD 4.32Å; L359-L370 HydrophobicContact CD1-CD2 3.63Å
360Y91.3Very high92.4Very high83 Ų8341.8 Ų41.833%0.32521%0.205SC..SBendtrans-101-22.4-175.7-64.2-74000113.3P214 E355 R358 P362 P406P214-Y360 HydrophobicContact CB-CD1 3.78Å; P214-Y360 HydrophobicContact CB-CD2 3.83Å; P214-Y360 HydrophobicContact CB-CE1 3.41Å; P214-Y360 VanDerWaalsContact CB-CE1 3.41Å; P214-Y360 HydrophobicContact CB-CE2 3.48Å; P214-Y360 VanDerWaalsContact CB-CE2 3.48Å; P214-Y360 HydrophobicContact CB-CG 3.97Å; P214-Y360 HydrophobicContact CG-CD1 3.57Å; P214-Y360 HydrophobicContact CG-CD2 4.3Å; P214-Y360 HydrophobicContact CG-CE1 3.6Å; P214-Y360 HydrophobicContact CG-CE2 4.33Å; P214-Y360 HydrophobicContact CG-CG 3.93Å; E355-Y360 HydrophobicContact CG-CE2 3.99Å; R358-Y360 HydrophobicContact CB-CE2 4.2Å; Y360-P362 WeakPolarHBondContact O-CD 3.3Å; Y360-P406 WeakPolarHBondContact O-CG 3.32Å
361S94Very high92.3Very high39 Ų3945.8 Ų45.827%0.27322%0.224SC..  trans-127.556.1-178.5-49.70000112.5G363S361-G363 PolarHBondContact O-N 3.17Å
362P95.8Very high92.2Very high3 Ų351.3 Ų51.32%0.01925%0.248CC..G310 helixtrans-69.4-12.3-177.127.3-31.8000114Y360 W364 M365 L370 P406 I409Y360-P362 WeakPolarHBondContact O-CD 3.3Å; P362-W364 PolarHBondContact O-N 3.47Å; P362-M365 PolarHBondContact O-N 2.9Å; P362-L370 HydrophobicContact CB-CD1 4.43Å; P362-L370 HydrophobicContact CB-CD2 3.99Å; P362-P406 HydrophobicContact CG-CB 4.21Å; P362-P406 WeakPolarHBondContact CG-O 3.28Å; P362-I409 HydrophobicContact CB-CG2 4.35Å; P362-I409 HydrophobicContact CG-CB 4.07Å; P362-I409 HydrophobicContact CG-CG2 3.98Å
363G96.7Very high92Very high2 Ų259.4 Ų59.42%0.02127%0.274CS..G310 helixtrans-60.4-25.5-18000000114.5S361 M389S361-G363 PolarHBondContact O-N 3.17Å; G363-M389 VanDerWaalsContact O-CE 3.3Å; G363-M389 WeakPolarHBondContact O-CE 3.25Å
364W97.1Very high91.6Very high15 Ų1561.3 Ų61.36%0.05728%0.282CS..G310 helixtrans-94.4-5.9176.5-66-100.3000113.2N330 P362 S386 M389 E393 V399 P400N330-W364 HydrophobicContact CB-CB 4.09Å; N330-W364 HydrophobicContact CB-CD2 3.8Å; N330-W364 HydrophobicContact CB-CE3 4.2Å; N330-W364 HydrophobicContact CB-CG 3.74Å; P362-W364 PolarHBondContact O-N 3.47Å; W364-S386 WeakPolarHBondContact O-CA 3.4Å; W364-S386 WeakPolarHBondContact O-CB 3.28Å; W364-S386 PolarHBondContact O-OG 3.01Å; W364-M389 HydrophobicContact CB-CB 4.32Å; W364-M389 HydrophobicContact CG-CB 4.27Å; W364-E393 PolarHBondContact NE1-OE2 3.44Å; W364-V399 HydrophobicContact CH2-CG1 3.97Å; W364-V399 HydrophobicContact CZ2-CG1 4.46Å; W364-P400 HydrophobicContact CD2-CG 4.38Å; W364-P400 HydrophobicContact CZ2-CG 4.1Å
365M96.5Very high91.3Very high11 Ų1167 Ų675%0.05431%0.313CS..SBendtrans-87.5145.7-171.9-65.1-177.568.600112.2Y328 L359 P362 A369 L370 W385Y328-M365 HydrophobicContact CD1-CE 3.86Å; Y328-M365 HydrophobicContact CE1-CE 4Å; L359-M365 HydrophobicContact CD1-CE 3.9Å; L359-M365 HydrophobicContact CD1-SD 3.8Å; L359-M365 HydrophobicContact CD2-CE 4.13Å; L359-M365 HydrophobicContact CD2-SD 3.92Å; L359-M365 HydrophobicContact CG-SD 4.32Å; P362-M365 PolarHBondContact O-N 2.9Å; M365-A369 HydrophobicContact CE-CB 4.08Å; M365-L370 HydrophobicContact CB-CD1 4.48Å; M365-L370 HydrophobicContact CB-CD2 3.99Å; M365-L370 HydrophobicContact CB-CG 4.11Å; M365-L370 HydrophobicContact CE-CD2 3.89Å; M365-L370 HydrophobicContact CG-CD2 4.47Å; M365-L370 HydrophobicContact SD-CD2 3.72Å; M365-W385 PolarHBondContact O-NE1 3.4Å
366A96.7Very high91.6Very high1 Ų170 Ų701%0.00833%0.331CS..  trans-66.2147.8172.100000111.6E368 A369 L370 A382 W385A366-E368 VanDerWaalsContact C-N 3.3Å; A366-E368 WeakPolarHBondContact CB-OE1 3.03Å; A366-E368 WeakPolarHBondContact CB-OE2 3.15Å; A366-E368 PolarHBondContact O-N 2.82Å; A366-A369 HydrophobicContact CB-CB 4.33Å; A366-A369 WeakPolarHBondContact O-CB 3.43Å; A366-A369 PolarHBondContact O-N 2.62Å; A366-L370 PolarHBondContact O-N 3Å; A366-A382 HydrophobicContact CB-CB 4.02Å; A366-W385 HydrophobicContact CB-CB 3.71Å; A366-W385 HydrophobicContact CB-CD2 4.08Å; A366-W385 HydrophobicContact CB-CG 3.71Å
367P96.7Very high92.1Very high4 Ų464.5 Ų64.53%0.02631%0.307CS..Hα-helixtrans-55-43.1179.7-24.232.7000112.9A369 L370 Q371 W385 I413 R419P367-A369 VanDerWaalsContact C-N 3.29Å; P367-A369 PolarHBondContact O-N 3.34Å; P367-L370 PolarHBondContact O-N 3Å; P367-L370 VanDerWaalsContact O-N 3.16Å; P367-Q371 VanDerWaalsContact O-CG 3.31Å; P367-Q371 WeakPolarHBondContact O-CG 3.27Å; P367-Q371 PolarHBondContact O-N 3.48Å; P367-Q371 VanDerWaalsContact O-N 3.16Å; P367-W385 HydrophobicContact CG-CH2 3.77Å; P367-W385 HydrophobicContact CG-CZ2 3.93Å; P367-W385 HydrophobicContact CG-CZ3 4.24Å; P367-I413 HydrophobicContact CB-CG2 4.36Å; P367-I413 HydrophobicContact CG-CG2 4.15Å; P367-R419 VanDerWaalsContact CG-CZ 3.44Å
368E94.9Very high92.7Very high12 Ų1260.1 Ų60.16%0.05628%0.284CS..Hα-helixtrans-68.1-28.1179.971.8-78.4-174.800113.1A366 L370 Q371 K372 I377 P442 R445A366-E368 VanDerWaalsContact C-N 3.3Å; A366-E368 WeakPolarHBondContact CB-OE1 3.03Å; A366-E368 WeakPolarHBondContact CB-OE2 3.15Å; A366-E368 PolarHBondContact O-N 2.82Å; E368-L370 PolarHBondContact O-N 3.41Å; E368-Q371 PolarHBondContact O-N 2.9Å; E368-K372 WeakPolarHBondContact O-CB 3.4Å; E368-K372 PolarHBondContact O-N 3.03Å; E368-I377 HydrophobicContact CB-CG2 4.46Å; E368-I377 HydrophobicContact CG-CG2 4.21Å; E368-I377 WeakPolarHBondContact O-CG2 3.46Å; E368-P442 HydrophobicContact CG-CG 3.98Å; E368-R445 IonicContact OE1-CZ 3.85Å; E368-R445 VanDerWaalsContact OE1-CZ 3.32Å; E368-R445 IonicContact OE1-NH1 3.58Å; E368-R445 PolarHBondContact OE1-NH1 3.33Å; E368-R445 IonicContact OE1-NH2 2.81Å; E368-R445 PolarHBondContact OE1-NH2 3.42Å; E368-R445 IonicContact OE2-CZ 2.74Å; E368-R445 IonicContact OE2-NH1 2.67Å; E368-R445 IonicContact OE2-NH2 3.97Å; E368-R445 PolarHBondContact OE2-NH2 2.9Å
369A94.2Very high93Very high21 Ų2156.1 Ų56.117%0.17428%0.275CS..Hα-helixtrans-71.4-21.6176.100000112.5M365 A366 P367 I377 A382M365-A369 HydrophobicContact CE-CB 4.08Å; A366-A369 HydrophobicContact CB-CB 4.33Å; A366-A369 WeakPolarHBondContact O-CB 3.43Å; A366-A369 PolarHBondContact O-N 2.62Å; P367-A369 VanDerWaalsContact C-N 3.29Å; P367-A369 PolarHBondContact O-N 3.34Å; A369-I377 HydrophobicContact CB-CD1 3.9Å; A369-A382 HydrophobicContact CB-CB 4.22Å
370L94Very high93.3Very high37 Ų3758.2 Ų58.219%0.19428%0.278CS..Hα-helixtrans-88.9-24.9173.7-61.5175.4000112.8L359 P362 M365 A366 P367 E368 I413 A414L359-L370 HydrophobicContact CD1-CD2 3.63Å; P362-L370 HydrophobicContact CB-CD1 4.43Å; P362-L370 HydrophobicContact CB-CD2 3.99Å; M365-L370 HydrophobicContact CB-CD1 4.48Å; M365-L370 HydrophobicContact CB-CD2 3.99Å; M365-L370 HydrophobicContact CB-CG 4.11Å; M365-L370 HydrophobicContact CE-CD2 3.89Å; M365-L370 HydrophobicContact CG-CD2 4.47Å; M365-L370 HydrophobicContact SD-CD2 3.72Å; A366-L370 PolarHBondContact O-N 3Å; P367-L370 PolarHBondContact O-N 3Å; P367-L370 VanDerWaalsContact O-N 3.16Å; E368-L370 PolarHBondContact O-N 3.41Å; L370-I413 HydrophobicContact CD1-CB 3.88Å; L370-I413 HydrophobicContact CD1-CG2 3.72Å; L370-A414 HydrophobicContact CB-CB 3.94Å; L370-A414 HydrophobicContact CD1-CB 4.49Å
371Q92.8Very high93.5Very high110 Ų11054.5 Ų54.551%0.51426%0.264SS..Hα-helixtrans-93.1-33.7-175.8-69.5170-7.500113.9P367 E368 A414P367-Q371 VanDerWaalsContact O-CG 3.31Å; P367-Q371 WeakPolarHBondContact O-CG 3.27Å; P367-Q371 PolarHBondContact O-N 3.48Å; P367-Q371 VanDerWaalsContact O-N 3.16Å; E368-Q371 PolarHBondContact O-N 2.9Å; Q371-A414 HydrophobicContact CG-CB 4.03Å; Q371-A414 PolarHBondContact NE2-O 3.34Å
372K91.9Very high93.7Very high120 Ų12053 Ų5352%0.52225%0.254SS..SBendtrans-114.7165-170.8-63.3178.5-177.6177.50111.4E368 D376 I377E368-K372 WeakPolarHBondContact O-CB 3.4Å; E368-K372 PolarHBondContact O-N 3.03Å; K372-D376 HydrophobicContact CB-CB 4.42Å; K372-I377 HydrophobicContact CB-CG2 3.59Å; K372-I377 HydrophobicContact CD-CG2 4.16Å; K372-I377 HydrophobicContact CG-CG2 4.45Å
373R88.1Confident93.7Very high200 Ų20054 Ų5476%0.75526%0.26SS*.  trans-72.8151.8173.3-59.3178.5177.7-175.90.6109.5N375 D376R373-N375 PolarHBondContact O-N 2.97Å; R373-N375 VanDerWaalsContact O-N 3.1Å; R373-D376 WeakPolarHBondContact CB-OD2 3.31Å; R373-D376 PolarHBondContact O-N 3.24Å
374F85.1Confident93.8Very high60 Ų6054 Ų5426%0.26326%0.259SS..G310 helixtrans-52.7-35.5-178.8-176.4-93.6000113.8Q325 D376 I377Q325-F374 HydrophobicContact CB-CE1 4.1Å; Q325-F374 HydrophobicContact CB-CZ 4.18Å; Q325-F374 HydrophobicContact CG-CE1 4.07Å; Q325-F374 HydrophobicContact CG-CZ 4.45Å; F374-D376 VanDerWaalsContact C-N 3.27Å; F374-D376 PolarHBondContact O-N 2.85Å; F374-I377 VanDerWaalsContact O-CG1 3.25Å; F374-I377 WeakPolarHBondContact O-CG1 3.44Å
375N86.2Confident93.8Very high137 Ų13753.6 Ų53.673%0.73326%0.257SS*.G310 helixtrans-75.8-14.4179.9-64.3-6.9000113.7R373R373-N375 PolarHBondContact O-N 2.97Å; R373-N375 VanDerWaalsContact O-N 3.1Å
376D91.7Very high93.9Very high107 Ų10753.3 Ų53.357%0.57226%0.257SS*.G310 helixtrans-102.92.4-175.2-55-32.4000112.2K372 R373 F374K372-D376 HydrophobicContact CB-CB 4.42Å; R373-D376 WeakPolarHBondContact CB-OD2 3.31Å; R373-D376 PolarHBondContact O-N 3.24Å; F374-D376 VanDerWaalsContact C-N 3.27Å; F374-D376 PolarHBondContact O-N 2.85Å
377I92.7Very high94Very high26 Ų2653.3 Ų53.313%0.13326%0.256CS..SBendtrans-110153179.263.6169.6000111.2E368 A369 K372 F374 S379 A382E368-I377 HydrophobicContact CB-CG2 4.46Å; E368-I377 HydrophobicContact CG-CG2 4.21Å; E368-I377 WeakPolarHBondContact O-CG2 3.46Å; A369-I377 HydrophobicContact CB-CD1 3.9Å; K372-I377 HydrophobicContact CB-CG2 3.59Å; K372-I377 HydrophobicContact CD-CG2 4.16Å; K372-I377 HydrophobicContact CG-CG2 4.45Å; F374-I377 VanDerWaalsContact O-CG1 3.25Å; F374-I377 WeakPolarHBondContact O-CG1 3.44Å; I377-S379 PolarHBondContact O-N 3.19Å; I377-S379 VanDerWaalsContact O-N 3.12Å; I377-A382 HydrophobicContact CD1-CB 4.32Å
378N94.2Very high94Very high82 Ų8253.1 Ų53.144%0.43926%0.255SS..  trans-76.993.4162.6-178.2-10.9000108.1R380 A381 A382N378-R380 PolarHBondContact O-N 3.17Å; N378-R380 PolarHBondContact OD1-N 3.34Å; N378-A381 HydrophobicContact CB-CB 3.98Å; N378-A381 PolarHBondContact O-N 3.06Å; N378-A381 VanDerWaalsContact O-N 3.15Å; N378-A381 PolarHBondContact OD1-N 2.74Å; N378-A382 PolarHBondContact O-N 3.3Å
379S93.3Very high94.2Very high38 Ų3852.7 Ų52.727%0.26625%0.253SS..Hα-helixtrans-56-39.3-178.356.70000112.4I377 A381 A382 D383I377-S379 PolarHBondContact O-N 3.19Å; I377-S379 VanDerWaalsContact O-N 3.12Å; S379-A381 VanDerWaalsContact C-N 3.33Å; S379-A381 PolarHBondContact O-N 3.46Å; S379-A382 WeakPolarHBondContact O-CB 3.15Å; S379-A382 PolarHBondContact O-N 2.95Å; S379-A382 VanDerWaalsContact O-N 3.12Å; S379-D383 VanDerWaalsContact O-CG 3.29Å; S379-D383 PolarHBondContact O-N 3.12Å
380R95.1Very high94.3Very high115 Ų11551.7 Ų51.743%0.43425%0.245SC..Hα-helixtrans-62.8-40.2179-60.2-171.6-179.7163.6-2.7112.5H318 N378 D383 M384H318-R380 VanDerWaalsContact CE1-CA 3.41Å; H318-R380 WeakPolarHBondContact CE1-CA 3.18Å; H318-R380 VanDerWaalsContact CE1-CB 3.49Å; H318-R380 WeakPolarHBondContact CE1-CB 3.34Å; H318-R380 PolarHBondContact O-NH2 3.47Å; N378-R380 PolarHBondContact O-N 3.17Å; N378-R380 PolarHBondContact OD1-N 3.34Å; R380-D383 PolarHBondContact O-N 3.15Å; R380-M384 PolarHBondContact O-N 3.46Å; R380-M384 VanDerWaalsContact O-N 3.1Å
381A96.7Very high94.5Very high5 Ų550.1 Ų50.14%0.04124%0.237CC..Hα-helixtrans-70.3-33.9175.400000112.1N378 S379 M384 W385 P442 R445N378-A381 HydrophobicContact CB-CB 3.98Å; N378-A381 PolarHBondContact O-N 3.06Å; N378-A381 VanDerWaalsContact O-N 3.15Å; N378-A381 PolarHBondContact OD1-N 2.74Å; S379-A381 VanDerWaalsContact C-N 3.33Å; S379-A381 PolarHBondContact O-N 3.46Å; A381-M384 PolarHBondContact O-N 2.87Å; A381-W385 PolarHBondContact O-N 3.11Å; A381-P442 HydrophobicContact CB-CB 3.76Å; A381-P442 WeakPolarHBondContact CB-O 3.43Å; A381-R445 VanDerWaalsContact O-CD 3.25Å; A381-R445 WeakPolarHBondContact O-CD 3.11Å; A381-R445 PolarHBondContact O-NH1 3.05Å
382A96.8Very high94.7Very high7 Ų745.3 Ų45.36%0.05821%0.214CC..Hα-helixtrans-66-41.7173.500000111.5A366 A369 I377 N378 S379 M384 W385 S386A366-A382 HydrophobicContact CB-CB 4.02Å; A369-A382 HydrophobicContact CB-CB 4.22Å; I377-A382 HydrophobicContact CD1-CB 4.32Å; N378-A382 PolarHBondContact O-N 3.3Å; S379-A382 WeakPolarHBondContact O-CB 3.15Å; S379-A382 PolarHBondContact O-N 2.95Å; S379-A382 VanDerWaalsContact O-N 3.12Å; A382-M384 VanDerWaalsContact C-N 3.3Å; A382-M384 PolarHBondContact O-N 3.34Å; A382-W385 VanDerWaalsContact O-CB 3.3Å; A382-W385 WeakPolarHBondContact O-CB 2.91Å; A382-W385 PolarHBondContact O-N 3.31Å; A382-W385 VanDerWaalsContact O-N 3.14Å; A382-S386 PolarHBondContact O-N 3.36Å; A382-S386 VanDerWaalsContact O-N 3.1Å; A382-S386 PolarHBondContact O-OG 2.88Å
383D97.1Very high94.9Very high25 Ų2539.6 Ų39.613%0.13419%0.189CC..Hα-helixtrans-61.9-37.7174.6-69.7-21.5000112.3M314 H318 S379 R380 W385 S386 F387 F448M314-D383 HydrophobicContact CE-CB 3.67Å; M314-D383 WeakPolarHBondContact CE-OD2 3.28Å; H318-D383 IonicContact CD2-OD2 3.75Å; H318-D383 IonicContact CE1-OD2 3.23Å; H318-D383 IonicContact NE2-OD2 2.9Å; H318-D383 PolarHBondContact NE2-OD2 3.34Å; S379-D383 VanDerWaalsContact O-CG 3.29Å; S379-D383 PolarHBondContact O-N 3.12Å; R380-D383 PolarHBondContact O-N 3.15Å; D383-W385 VanDerWaalsContact C-N 3.29Å; D383-W385 PolarHBondContact O-N 3.3Å; D383-S386 WeakPolarHBondContact O-CB 2.98Å; D383-S386 PolarHBondContact O-N 2.75Å; D383-F387 PolarHBondContact O-N 2.87Å; D383-F448 HydrophobicContact CB-CE2 4.25Å
384M98.2Very high95.2Very high1 Ų130.2 Ų30.21%0.00515%0.154CC..Hα-helixtrans-63-35.7175.1-176.554.467.900112.3R380 A381 A382 F387 A388 C437 R445 P446 N447 F448 I451R380-M384 PolarHBondContact O-N 3.46Å; R380-M384 VanDerWaalsContact O-N 3.1Å; A381-M384 PolarHBondContact O-N 2.87Å; A382-M384 VanDerWaalsContact C-N 3.3Å; A382-M384 PolarHBondContact O-N 3.34Å; M384-F387 PolarHBondContact O-N 3.49Å; M384-F387 HydrophobicContact SD-CD1 3.91Å; M384-A388 PolarHBondContact O-N 2.96Å; M384-C437 HydrophobicContact CG-CB 3.9Å; M384-C437 HydrophobicContact SD-CB 3.91Å; M384-R445 HydrophobicContact CG-CB 4.24Å; M384-P446 VanDerWaalsContact CE-O 3.27Å; M384-P446 WeakPolarHBondContact CE-O 3.15Å; M384-P446 HydrophobicContact CG-CG 4.37Å; M384-P446 WeakPolarHBondContact CG-O 3.26Å; M384-P446 HydrophobicContact SD-CG 4.39Å; M384-N447 VanDerWaalsContact CE-C 3.49Å; M384-F448 HydrophobicContact CE-CB 4.31Å; M384-F448 HydrophobicContact CE-CD1 3.64Å; M384-F448 HydrophobicContact CE-CD2 3.87Å; M384-F448 HydrophobicContact CE-CE1 3.81Å; M384-F448 HydrophobicContact CE-CE2 4Å; M384-F448 HydrophobicContact CE-CG 3.67Å; M384-F448 HydrophobicContact CE-CZ 3.98Å; M384-F448 HydrophobicContact SD-CE1 4.28Å; M384-F448 HydrophobicContact SD-CZ 4.43Å; M384-I451 HydrophobicContact CE-CD1 3.69Å; M384-I451 HydrophobicContact CE-CG1 4.1Å; M384-I451 HydrophobicContact SD-CD1 3.8Å
385W98.1Very high95.7Very high6 Ų629.5 Ų29.52%0.02316%0.155CC..Hα-helixtrans-64.3-46.8172-178.4-72.9000111M365 A366 P367 A381 A382 D383 F387 A388 M389 M438M365-W385 PolarHBondContact O-NE1 3.4Å; A366-W385 HydrophobicContact CB-CB 3.71Å; A366-W385 HydrophobicContact CB-CD2 4.08Å; A366-W385 HydrophobicContact CB-CG 3.71Å; P367-W385 HydrophobicContact CG-CH2 3.77Å; P367-W385 HydrophobicContact CG-CZ2 3.93Å; P367-W385 HydrophobicContact CG-CZ3 4.24Å; A381-W385 PolarHBondContact O-N 3.11Å; A382-W385 VanDerWaalsContact O-CB 3.3Å; A382-W385 WeakPolarHBondContact O-CB 2.91Å; A382-W385 PolarHBondContact O-N 3.31Å; A382-W385 VanDerWaalsContact O-N 3.14Å; D383-W385 VanDerWaalsContact C-N 3.29Å; D383-W385 PolarHBondContact O-N 3.3Å; W385-F387 VanDerWaalsContact C-N 3.3Å; W385-F387 PolarHBondContact O-N 3.16Å; W385-A388 WeakPolarHBondContact O-CA 3.35Å; W385-A388 WeakPolarHBondContact O-CB 3.42Å; W385-A388 PolarHBondContact O-N 3.35Å; W385-M389 WeakPolarHBondContact O-CG 3.31Å; W385-M389 PolarHBondContact O-N 3.03Å; W385-M438 HydrophobicContact CD2-CB 4.49Å; W385-M438 HydrophobicContact CD2-CE 4.46Å; W385-M438 HydrophobicContact CD2-CG 4.47Å; W385-M438 HydrophobicContact CE3-CB 4.14Å; W385-M438 HydrophobicContact CH2-CB 4.4Å; W385-M438 HydrophobicContact CH2-CE 4.13Å; W385-M438 HydrophobicContact CZ2-CE 3.57Å; W385-M438 HydrophobicContact CZ3-CB 4.11Å; W385-M438 WeakPolarHBondContact CZ3-O 3.31Å
386S97.9Very high96Very high6 Ų624.1 Ų24.14%0.04213%0.128CC..Hα-helixtrans-60.6-39.6177.5-62.50000112.5L329 W364 A382 D383 A388 M389 I390L329-S386 WeakPolarHBondContact O-CB 3.33Å; W364-S386 WeakPolarHBondContact O-CA 3.4Å; W364-S386 WeakPolarHBondContact O-CB 3.28Å; W364-S386 PolarHBondContact O-OG 3.01Å; A382-S386 PolarHBondContact O-N 3.36Å; A382-S386 VanDerWaalsContact O-N 3.1Å; A382-S386 PolarHBondContact O-OG 2.88Å; D383-S386 WeakPolarHBondContact O-CB 2.98Å; D383-S386 PolarHBondContact O-N 2.75Å; S386-A388 VanDerWaalsContact C-N 3.34Å; S386-A388 PolarHBondContact O-N 3.03Å; S386-M389 WeakPolarHBondContact O-CB 3.27Å; S386-M389 PolarHBondContact O-N 3.1Å; S386-I390 WeakPolarHBondContact O-CG1 3.35Å; S386-I390 PolarHBondContact O-N 3.19Å
387F98.3Very high96.1Very high1 Ų123.1 Ų23.10%0.00412%0.116CC..Hα-helixtrans-59.7-43.4170.5170.2-98.6000112.2A307 I310 A311 L329 D383 M384 W385 M389 I390 L391 F448 I451 L455A307-F387 HydrophobicContact CB-CE2 4.32Å; A307-F387 HydrophobicContact CB-CZ 4.21Å; A307-F387 WeakPolarHBondContact O-CE2 3.36Å; I310-F387 HydrophobicContact CB-CD2 4.45Å; I310-F387 HydrophobicContact CB-CE2 4.37Å; I310-F387 HydrophobicContact CG2-CD2 3.81Å; I310-F387 HydrophobicContact CG2-CE2 4.23Å; A311-F387 HydrophobicContact CB-CE2 4.06Å; A311-F387 HydrophobicContact CB-CZ 4.26Å; L329-F387 HydrophobicContact CD2-CB 4.19Å; D383-F387 PolarHBondContact O-N 2.87Å; M384-F387 PolarHBondContact O-N 3.49Å; M384-F387 HydrophobicContact SD-CD1 3.91Å; W385-F387 VanDerWaalsContact C-N 3.3Å; W385-F387 PolarHBondContact O-N 3.16Å; F387-M389 VanDerWaalsContact C-N 3.29Å; F387-M389 PolarHBondContact O-N 2.9Å; F387-I390 PolarHBondContact O-N 3.44Å; F387-L391 HydrophobicContact CE1-CD2 4.31Å; F387-L391 PolarHBondContact O-N 3.4Å; F387-F448 HydrophobicContact CB-CE1 3.66Å; F387-F448 HydrophobicContact CB-CZ 3.73Å; F387-F448 HydrophobicContact CD1-CE1 4.12Å; F387-F448 AromaticContact CD2-CE1 3.85Å; F387-F448 HydrophobicContact CD2-CE1 3.85Å; F387-F448 AromaticContact CG-CE1 3.58Å; F387-F448 HydrophobicContact CG-CE1 3.58Å; F387-F448 HydrophobicContact CG-CZ 4.19Å; F387-I451 HydrophobicContact CD1-CD1 3.78Å; F387-I451 HydrophobicContact CE1-CD1 3.36Å; F387-I451 HydrophobicContact CZ-CD1 3.94Å; F387-L455 HydrophobicContact CZ-CD1 3.85Å
388A97.7Very high96.2Very high0 Ų027.2 Ų27.20%014%0.135CC..Hα-helixtrans-63.8-35.6178.300000112.6M384 W385 S386 L391 W392 C437 M438M384-A388 PolarHBondContact O-N 2.96Å; W385-A388 WeakPolarHBondContact O-CA 3.35Å; W385-A388 WeakPolarHBondContact O-CB 3.42Å; W385-A388 PolarHBondContact O-N 3.35Å; S386-A388 VanDerWaalsContact C-N 3.34Å; S386-A388 PolarHBondContact O-N 3.03Å; A388-L391 PolarHBondContact O-N 3.49Å; A388-W392 WeakPolarHBondContact O-CB 3.31Å; A388-W392 PolarHBondContact O-N 2.9Å; A388-C437 HydrophobicContact CB-CB 3.52Å; A388-M438 HydrophobicContact CB-CG 3.38Å; A388-M438 HydrophobicContact CB-SD 4.23Å
389M97.6Very high96.3Very high3 Ų325 Ų252%0.01512%0.124CC..Hα-helixtrans-65-41.2173.1-68.7-60.8-51.200111.9G363 W364 W385 S386 F387 W392 E393 P400 V420 M438G363-M389 VanDerWaalsContact O-CE 3.3Å; G363-M389 WeakPolarHBondContact O-CE 3.25Å; W364-M389 HydrophobicContact CB-CB 4.32Å; W364-M389 HydrophobicContact CG-CB 4.27Å; W385-M389 WeakPolarHBondContact O-CG 3.31Å; W385-M389 PolarHBondContact O-N 3.03Å; S386-M389 WeakPolarHBondContact O-CB 3.27Å; S386-M389 PolarHBondContact O-N 3.1Å; F387-M389 VanDerWaalsContact C-N 3.29Å; F387-M389 PolarHBondContact O-N 2.9Å; M389-W392 WeakPolarHBondContact O-CB 3.39Å; M389-W392 PolarHBondContact O-N 3.23Å; M389-E393 WeakPolarHBondContact O-CB 3.32Å; M389-E393 PolarHBondContact O-N 3.25Å; M389-P400 HydrophobicContact CE-CB 3.52Å; M389-P400 HydrophobicContact CE-CG 3.51Å; M389-V420 HydrophobicContact CE-CG1 3.53Å; M389-V420 HydrophobicContact CE-CG2 4.37Å; M389-V420 HydrophobicContact SD-CG1 4.22Å; M389-V420 HydrophobicContact SD-CG2 4.08Å; M389-M438 HydrophobicContact CG-CE 4.48Å; M389-M438 HydrophobicContact SD-CE 3.43Å; M389-M438 WeakPolarHBondContact SD-CE 3.4Å; M389-M438 HydrophobicContact SD-SD 3.97Å
390I97.8Very high96.4Very high0 Ų023.2 Ų23.20%011%0.112CC..Hα-helixtrans-65.2-39.9172.6-64.8173.1000110.9L286 I310 L329 V334 S386 F387 W392 E393 L394L286-I390 HydrophobicContact CD2-CG2 3.68Å; I310-I390 HydrophobicContact CD1-CG2 3.91Å; L329-I390 HydrophobicContact CD1-CD1 3.83Å; L329-I390 HydrophobicContact CD2-CD1 4.14Å; L329-I390 HydrophobicContact CG-CD1 3.62Å; V334-I390 HydrophobicContact CG2-CD1 4.22Å; S386-I390 WeakPolarHBondContact O-CG1 3.35Å; S386-I390 PolarHBondContact O-N 3.19Å; F387-I390 PolarHBondContact O-N 3.44Å; I390-W392 VanDerWaalsContact C-N 3.32Å; I390-W392 PolarHBondContact O-N 3.14Å; I390-E393 WeakPolarHBondContact O-CB 3.5Å; I390-E393 PolarHBondContact O-N 2.95Å; I390-L394 HydrophobicContact CG2-CD1 4.06Å; I390-L394 HydrophobicContact CG2-CG 4.32Å; I390-L394 WeakPolarHBondContact O-CB 3.45Å; I390-L394 VanDerWaalsContact O-CG 3.32Å; I390-L394 WeakPolarHBondContact O-CG 3.45Å; I390-L394 PolarHBondContact O-N 2.92Å
391L96.8Very high96.4Very high3 Ų319.1 Ų19.12%0.01610%0.097CC..Hα-helixtrans-64.5-38.5176.7-17860.5000111.7A307 F387 A388 C395 T430 L433 I434A307-L391 HydrophobicContact CB-CD1 3.97Å; F387-L391 HydrophobicContact CE1-CD2 4.31Å; F387-L391 PolarHBondContact O-N 3.4Å; A388-L391 PolarHBondContact O-N 3.49Å; L391-C395 PolarHBondContact O-N 3.43Å; L391-C395 PolarHBondContact O-SG 3.04Å; L391-T430 HydrophobicContact CD1-CG2 4.32Å; L391-T430 HydrophobicContact CD2-CG2 4.35Å; L391-T430 HydrophobicContact CG-CG2 4.25Å; L391-L433 HydrophobicContact CD2-CD2 3.87Å; L391-L433 HydrophobicContact CD2-CG 4.15Å; L391-I434 HydrophobicContact CB-CG1 4.33Å; L391-I434 HydrophobicContact CD2-CG1 3.74Å; L391-I434 HydrophobicContact CG-CD1 4.23Å; L391-I434 HydrophobicContact CG-CG1 3.89Å
392W96.8Very high96.2Very high10 Ų1022.6 Ų22.64%0.03813%0.126CC..Hα-helixtrans-61.8-50171.5177.191000110.7A388 M389 I390 L394 C395 T396 E398 P400 V420 S421 I434A388-W392 WeakPolarHBondContact O-CB 3.31Å; A388-W392 PolarHBondContact O-N 2.9Å; M389-W392 WeakPolarHBondContact O-CB 3.39Å; M389-W392 PolarHBondContact O-N 3.23Å; I390-W392 VanDerWaalsContact C-N 3.32Å; I390-W392 PolarHBondContact O-N 3.14Å; W392-L394 VanDerWaalsContact C-N 3.35Å; W392-L394 PolarHBondContact O-N 2.82Å; W392-C395 CarbonylContact O-C 3.59Å; W392-C395 WeakPolarHBondContact O-CA 3.3Å; W392-C395 WeakPolarHBondContact O-CB 3.34Å; W392-C395 PolarHBondContact O-N 2.98Å; W392-T396 HydrophobicContact CD2-CG2 4.05Å; W392-T396 HydrophobicContact CG-CG2 4.32Å; W392-T396 HydrophobicContact CZ2-CG2 3.9Å; W392-T396 PolarHBondContact O-N 2.64Å; W392-T396 PolarHBondContact O-OG1 2.75Å; W392-T396 VanDerWaalsContact O-OG1 3.05Å; W392-E398 HydrophobicContact CH2-CB 3.62Å; W392-E398 HydrophobicContact CZ2-CB 4.46Å; W392-E398 HydrophobicContact CZ3-CB 4.07Å; W392-E398 VanDerWaalsContact CZ3-O 3.27Å; W392-E398 WeakPolarHBondContact CZ3-O 3.49Å; W392-P400 HydrophobicContact CE3-CG 4.18Å; W392-P400 HydrophobicContact CZ3-CB 4.36Å; W392-P400 HydrophobicContact CZ3-CG 3.91Å; W392-V420 HydrophobicContact CD2-CB 4.3Å; W392-V420 HydrophobicContact CD2-CG1 4.34Å; W392-V420 HydrophobicContact CD2-CG2 4.27Å; W392-V420 HydrophobicContact CE3-CG1 4.46Å; W392-V420 HydrophobicContact CG-CG2 4.13Å; W392-V420 HydrophobicContact CH2-CG1 4.39Å; W392-V420 HydrophobicContact CZ2-CB 4.17Å; W392-V420 HydrophobicContact CZ2-CG1 4.25Å; W392-V420 HydrophobicContact CZ3-CG1 4.49Å; W392-S421 PolarHBondContact NE1-O 2.87Å; W392-I434 HydrophobicContact CB-CD1 4.26Å
393E96.5Very high96.1Very high0 Ų029 Ų290%016%0.159CC..Hα-helixtrans-58.8-41.3178.4-177.9-178.1-173.800112.5L290 H291 S331 W364 M389 I390 C395 R397L290-E393 HydrophobicContact CD1-CG 3.84Å; H291-E393 IonicContact CD2-OE1 2.81Å; H291-E393 PolarHBondContact CD2-OE1 2.88Å; H291-E393 IonicContact CE1-OE1 3.48Å; H291-E393 IonicContact NE2-OE1 2.67Å; H291-E393 PolarHBondContact NE2-OE1 2.89Å; S331-E393 VanDerWaalsContact CB-OE1 3.27Å; S331-E393 WeakPolarHBondContact CB-OE1 3.25Å; S331-E393 VanDerWaalsContact CB-OE2 3.3Å; S331-E393 WeakPolarHBondContact CB-OE2 3.36Å; S331-E393 VanDerWaalsContact OG-CD 3.28Å; S331-E393 PolarHBondContact OG-OE1 3.41Å; S331-E393 PolarHBondContact OG-OE2 3.1Å; S331-E393 VanDerWaalsContact OG-OE2 3.14Å; W364-E393 PolarHBondContact NE1-OE2 3.44Å; M389-E393 WeakPolarHBondContact O-CB 3.32Å; M389-E393 PolarHBondContact O-N 3.25Å; I390-E393 WeakPolarHBondContact O-CB 3.5Å; I390-E393 PolarHBondContact O-N 2.95Å; E393-C395 PolarHBondContact O-N 3.29Å; E393-R397 WeakPolarHBondContact O-CA 3.45Å; E393-R397 PolarHBondContact O-N 3.38Å
394L95.7Very high96.1Very high3 Ų329.3 Ų29.32%0.01616%0.161CC..Hα-helixtrans-60.7-33173.5-80.7168.5000112.6L286 L290 A303 F306 A307 I390 W392 R397L286-L394 HydrophobicContact CD1-CD2 3.94Å; L286-L394 HydrophobicContact CD2-CD2 4.14Å; L286-L394 HydrophobicContact CD2-CG 4.35Å; L290-L394 HydrophobicContact CD1-CD2 4.11Å; L290-L394 HydrophobicContact CD1-CG 4.47Å; L290-L394 HydrophobicContact CD2-CD2 4.18Å; A303-L394 HydrophobicContact CB-CB 4.32Å; A303-L394 HydrophobicContact CB-CD2 4.3Å; F306-L394 HydrophobicContact CB-CD1 4.45Å; F306-L394 HydrophobicContact CB-CD2 4.44Å; F306-L394 HydrophobicContact CD2-CD2 4.18Å; A307-L394 HydrophobicContact CB-CD1 4.28Å; I390-L394 HydrophobicContact CG2-CD1 4.06Å; I390-L394 HydrophobicContact CG2-CG 4.32Å; I390-L394 WeakPolarHBondContact O-CB 3.45Å; I390-L394 VanDerWaalsContact O-CG 3.32Å; I390-L394 WeakPolarHBondContact O-CG 3.45Å; I390-L394 PolarHBondContact O-N 2.92Å; W392-L394 VanDerWaalsContact C-N 3.35Å; W392-L394 PolarHBondContact O-N 2.82Å; L394-R397 PolarHBondContact O-NE 3.14Å; L394-R397 PolarHBondContact O-NH2 3.26Å
395C94.3Very high95.9Very high44 Ų4431.5 Ų31.530%0.29718%0.176SC..Hα-helixtrans-85.8-40.2-179.6-66.90000113L391 W392 E393 I426 T430L391-C395 PolarHBondContact O-N 3.43Å; L391-C395 PolarHBondContact O-SG 3.04Å; W392-C395 CarbonylContact O-C 3.59Å; W392-C395 WeakPolarHBondContact O-CA 3.3Å; W392-C395 WeakPolarHBondContact O-CB 3.34Å; W392-C395 PolarHBondContact O-N 2.98Å; E393-C395 PolarHBondContact O-N 3.29Å; C395-I426 HydrophobicContact CB-CD1 3.71Å; C395-I426 HydrophobicContact CB-CG1 4.02Å; C395-T430 VanDerWaalsContact SG-CG2 3.56Å
396T93.9Very high95.7Very high25 Ų2533.9 Ų33.915%0.15319%0.192CC..Hα-helixtrans-91.1-26.5-173.9580000113.5W392 E398 P423 I426W392-T396 HydrophobicContact CD2-CG2 4.05Å; W392-T396 HydrophobicContact CG-CG2 4.32Å; W392-T396 HydrophobicContact CZ2-CG2 3.9Å; W392-T396 PolarHBondContact O-N 2.64Å; W392-T396 PolarHBondContact O-OG1 2.75Å; W392-T396 VanDerWaalsContact O-OG1 3.05Å; T396-E398 PolarHBondContact O-N 3.48Å; T396-E398 PolarHBondContact OG1-N 2.85Å; T396-P423 HydrophobicContact CG2-CG 3.73Å; T396-I426 HydrophobicContact CG2-CD1 3.93Å
397R93.5Very high95.6Very high85 Ų8540.1 Ų40.132%0.32122%0.222SC..  trans59.231.5-169.4-50.1-52.1172.91080.5113.1V298 E393 L394V298-R397 VanDerWaalsContact CB-NH2 3.28Å; V298-R397 PolarHBondContact O-NH2 3.12Å; E393-R397 WeakPolarHBondContact O-CA 3.45Å; E393-R397 PolarHBondContact O-N 3.38Å; L394-R397 PolarHBondContact O-NE 3.14Å; L394-R397 PolarHBondContact O-NH2 3.26Å
398E94.5Very high95.5Very high113 Ų11344.3 Ų44.353%0.52824%0.242SC..  trans-115.6142.7177.1-65.8179172.200109.8W392 T396W392-E398 HydrophobicContact CH2-CB 3.62Å; W392-E398 HydrophobicContact CZ2-CB 4.46Å; W392-E398 HydrophobicContact CZ3-CB 4.07Å; W392-E398 VanDerWaalsContact CZ3-O 3.27Å; W392-E398 WeakPolarHBondContact CZ3-O 3.49Å; T396-E398 PolarHBondContact O-N 3.48Å; T396-E398 PolarHBondContact OG1-N 2.85Å
399V95.1Very high95.4Very high34 Ų3444.9 Ų44.921%0.20625%0.245CC..  trans-78.1129.3169.5178.80000108.4Y287 H291 W364 F401 A402Y287-V399 HydrophobicContact CE2-CG1 4.42Å; Y287-V399 HydrophobicContact CE2-CG2 3.83Å; H291-V399 HydrophobicContact CB-CG2 4.35Å; W364-V399 HydrophobicContact CH2-CG1 3.97Å; W364-V399 HydrophobicContact CZ2-CG1 4.46Å; V399-F401 PolarHBondContact O-N 3.36Å; V399-F401 VanDerWaalsContact O-N 3.11Å; V399-A402 HydrophobicContact CB-CB 4.04Å; V399-A402 HydrophobicContact CG1-CB 4.42Å; V399-A402 PolarHBondContact O-N 3.24Å
400P95.2Very high95.3Very high2 Ų245.5 Ų45.51%0.01325%0.252CS..THydrogen-bonded Turntrans-55.5118179.4-26.834.7000112.8W364 M389 W392 A402W364-P400 HydrophobicContact CD2-CG 4.38Å; W364-P400 HydrophobicContact CZ2-CG 4.1Å; M389-P400 HydrophobicContact CE-CB 3.52Å; M389-P400 HydrophobicContact CE-CG 3.51Å; W392-P400 HydrophobicContact CE3-CG 4.18Å; W392-P400 HydrophobicContact CZ3-CB 4.36Å; W392-P400 HydrophobicContact CZ3-CG 3.91Å; P400-A402 VanDerWaalsContact C-N 3.31Å; P400-A402 PolarHBondContact O-N 3.47Å
401F95.9Very high95.2Very high28 Ų2850.2 Ų50.212%0.12328%0.275CS..THydrogen-bonded Turntrans56.439.1176.5-41.4-66.4000114V399 D403 L404 I409 I413 L418 V420V399-F401 PolarHBondContact O-N 3.36Å; V399-F401 VanDerWaalsContact O-N 3.11Å; F401-D403 PolarHBondContact O-N 3.31Å; F401-L404 HydrophobicContact CB-CD1 4.34Å; F401-L404 PolarHBondContact O-N 3.18Å; F401-I409 HydrophobicContact CB-CD1 3.94Å; F401-I409 HydrophobicContact CB-CG1 3.88Å; F401-I409 HydrophobicContact CD2-CG2 3.87Å; F401-I413 HydrophobicContact CD2-CD1 4.2Å; F401-I413 HydrophobicContact CE2-CD1 3.72Å; F401-I413 HydrophobicContact CE2-CG1 4.15Å; F401-L418 HydrophobicContact CD1-CD1 4.05Å; F401-L418 HydrophobicContact CD1-CD2 3.79Å; F401-L418 HydrophobicContact CD1-CG 3.95Å; F401-L418 HydrophobicContact CD2-CD2 4.39Å; F401-L418 HydrophobicContact CE1-CD1 3.72Å; F401-L418 HydrophobicContact CE1-CD2 3.88Å; F401-L418 HydrophobicContact CE1-CG 3.54Å; F401-L418 HydrophobicContact CE2-CD2 4.48Å; F401-L418 HydrophobicContact CG-CD2 4.05Å; F401-L418 HydrophobicContact CZ-CD1 4.49Å; F401-L418 HydrophobicContact CZ-CD2 4.22Å; F401-L418 HydrophobicContact CZ-CG 3.86Å; F401-V420 HydrophobicContact CE1-CG1 3.94Å; F401-V420 HydrophobicContact CE2-CG1 4.16Å; F401-V420 HydrophobicContact CZ-CG1 3.61Å
402A93.4Very high95.3Very high78 Ų7853.3 Ų53.365%0.64529%0.288SS*.THydrogen-bonded Turntrans-52.5-24.6-174.100000115.4V399 P400 L404V399-A402 HydrophobicContact CB-CB 4.04Å; V399-A402 HydrophobicContact CG1-CB 4.42Å; V399-A402 PolarHBondContact O-N 3.24Å; P400-A402 VanDerWaalsContact C-N 3.31Å; P400-A402 PolarHBondContact O-N 3.47Å; A402-L404 VanDerWaalsContact C-N 3.33Å
403D94.3Very high95.3Very high141 Ų14153.1 Ų53.175%0.75429%0.288SS*.THydrogen-bonded Turntrans-79.8-10.5-179.558.6-51.7000114.2F401F401-D403 PolarHBondContact O-N 3.31Å
404L96Very high95.2Very high33 Ų3353.7 Ų53.717%0.17329%0.293CS..SBendtrans-109.9147.4-176.5-60.9-179.1000112F401 A402 Q408 I409 K412 L418F401-L404 HydrophobicContact CB-CD1 4.34Å; F401-L404 PolarHBondContact O-N 3.18Å; A402-L404 VanDerWaalsContact C-N 3.33Å; L404-Q408 HydrophobicContact CB-CB 4.27Å; L404-I409 HydrophobicContact CB-CD1 4.21Å; L404-I409 HydrophobicContact CB-CG1 3.53Å; L404-I409 HydrophobicContact CD1-CG1 4.37Å; L404-I409 WeakPolarHBondContact O-CD1 3.47Å; L404-K412 HydrophobicContact CD1-CD 3.99Å; L404-L418 HydrophobicContact CD1-CD2 3.91Å
405S95.2Very high95.2Very high47 Ų4760 Ų6033%0.32933%0.325SS..  trans-69.3153.9171.265.30000111.5M407 Q408 I409S405-M407 PolarHBondContact O-N 2.98Å; S405-M407 VanDerWaalsContact O-N 3.1Å; S405-Q408 WeakPolarHBondContact O-CB 3.48Å; S405-Q408 PolarHBondContact O-N 3.34Å; S405-Q408 WeakPolarHBondContact OG-CG 3.44Å; S405-Q408 PolarHBondContact OG-N 2.69Å; S405-Q408 PolarHBondContact OG-OE1 3.06Å; S405-I409 WeakPolarHBondContact O-CG1 3.45Å; S405-I409 PolarHBondContact O-N 2.8Å
406P94.3Very high95.2Very high56 Ų5664.2 Ų64.236%0.36434%0.341SS..Hα-helixtrans-51.7-38.9177.9-30.636.4000113.9Y360 P362 I409 G410Y360-P406 WeakPolarHBondContact O-CG 3.32Å; P362-P406 HydrophobicContact CG-CB 4.21Å; P362-P406 WeakPolarHBondContact CG-O 3.28Å; P406-I409 PolarHBondContact O-N 3.27Å; P406-G410 PolarHBondContact O-N 3.39Å
407M94Very high95.3Very high137 Ų13765.3 Ų65.368%0.67536%0.357SS*.Hα-helixtrans-63.4-45.9176.5-174.8-178.174.800112S405 G410 M411S405-M407 PolarHBondContact O-N 2.98Å; S405-M407 VanDerWaalsContact O-N 3.1Å; M407-G410 PolarHBondContact O-N 2.82Å; M407-M411 HydrophobicContact CG-SD 4.18Å; M407-M411 WeakPolarHBondContact O-CB 3.33Å; M407-M411 WeakPolarHBondContact O-CG 3.34Å; M407-M411 PolarHBondContact O-N 2.87Å
408Q96.5Very high95.4Very high88 Ų8863.4 Ų63.441%0.41135%0.353SS..Hα-helixtrans-64-44.1177.2-72.2166.7-50.300111.2L404 S405 M411 K412L404-Q408 HydrophobicContact CB-CB 4.27Å; S405-Q408 WeakPolarHBondContact O-CB 3.48Å; S405-Q408 PolarHBondContact O-N 3.34Å; S405-Q408 WeakPolarHBondContact OG-CG 3.44Å; S405-Q408 PolarHBondContact OG-N 2.69Å; S405-Q408 PolarHBondContact OG-OE1 3.06Å; Q408-M411 PolarHBondContact O-N 3.3Å; Q408-K412 VanDerWaalsContact O-CB 3.26Å; Q408-K412 WeakPolarHBondContact O-CB 3.17Å; Q408-K412 VanDerWaalsContact O-CG 3.22Å; Q408-K412 WeakPolarHBondContact O-CG 3.48Å; Q408-K412 PolarHBondContact O-N 3.14Å
409I97Very high95.5Very high13 Ų1361.3 Ų61.37%0.06734%0.34CS..Hα-helixtrans-56.9-53.7176.6-64.6172.1000109.8P362 F401 L404 S405 P406 M411 K412 I413P362-I409 HydrophobicContact CB-CG2 4.35Å; P362-I409 HydrophobicContact CG-CB 4.07Å; P362-I409 HydrophobicContact CG-CG2 3.98Å; F401-I409 HydrophobicContact CB-CD1 3.94Å; F401-I409 HydrophobicContact CB-CG1 3.88Å; F401-I409 HydrophobicContact CD2-CG2 3.87Å; L404-I409 HydrophobicContact CB-CD1 4.21Å; L404-I409 HydrophobicContact CB-CG1 3.53Å; L404-I409 HydrophobicContact CD1-CG1 4.37Å; L404-I409 WeakPolarHBondContact O-CD1 3.47Å; S405-I409 WeakPolarHBondContact O-CG1 3.45Å; S405-I409 PolarHBondContact O-N 2.8Å; P406-I409 PolarHBondContact O-N 3.27Å; I409-M411 PolarHBondContact O-N 2.9Å; I409-K412 PolarHBondContact O-N 2.82Å; I409-I413 HydrophobicContact CG2-CD1 3.5Å; I409-I413 VanDerWaalsContact CG2-CD1 3.5Å; I409-I413 HydrophobicContact CG2-CG1 4.24Å; I409-I413 WeakPolarHBondContact O-CB 3.48Å; I409-I413 VanDerWaalsContact O-CG1 3.28Å; I409-I413 WeakPolarHBondContact O-CG1 3.33Å; I409-I413 PolarHBondContact O-N 2.67Å
410G95.5Very high95.4Very high15 Ų1560.8 Ų60.816%0.15534%0.337CS..Hα-helixtrans-58.1-47.1-179.200000112.9P406 M407 A414P406-G410 PolarHBondContact O-N 3.39Å; M407-G410 PolarHBondContact O-N 2.82Å; G410-A414 WeakPolarHBondContact O-CB 3.38Å; G410-A414 PolarHBondContact O-N 3.48Å
411M95.6Very high95.3Very high99 Ų9965.2 Ų65.249%0.48837%0.368SS..Hα-helixtrans-63.8-45178.1-72.2-179.668.900112.2M407 Q408 I409 A414 L415M407-M411 HydrophobicContact CG-SD 4.18Å; M407-M411 WeakPolarHBondContact O-CB 3.33Å; M407-M411 WeakPolarHBondContact O-CG 3.34Å; M407-M411 PolarHBondContact O-N 2.87Å; Q408-M411 PolarHBondContact O-N 3.3Å; I409-M411 PolarHBondContact O-N 2.9Å; M411-A414 PolarHBondContact O-N 3.28Å; M411-L415 WeakPolarHBondContact O-CB 3.39Å; M411-L415 PolarHBondContact O-N 2.93Å
412K97.6Very high95Very high69 Ų6966.5 Ų66.530%0.338%0.376SS..Hα-helixtrans-69.9-39.3-177.4-72.4-169.6169.2-170.30112.9L404 Q408 I409 E416 G417 L418L404-K412 HydrophobicContact CD1-CD 3.99Å; Q408-K412 VanDerWaalsContact O-CB 3.26Å; Q408-K412 WeakPolarHBondContact O-CB 3.17Å; Q408-K412 VanDerWaalsContact O-CG 3.22Å; Q408-K412 WeakPolarHBondContact O-CG 3.48Å; Q408-K412 PolarHBondContact O-N 3.14Å; I409-K412 PolarHBondContact O-N 2.82Å; K412-E416 HydrophobicContact CB-CB 4.44Å; K412-E416 CarbonylContact O-C 3.42Å; K412-E416 WeakPolarHBondContact O-CA 3.3Å; K412-E416 WeakPolarHBondContact O-CB 3.27Å; K412-E416 PolarHBondContact O-N 2.89Å; K412-G417 PolarHBondContact O-N 3.19Å; K412-G417 VanDerWaalsContact O-N 3.12Å; K412-L418 HydrophobicContact CB-CB 3.75Å; K412-L418 HydrophobicContact CB-CD2 3.62Å; K412-L418 HydrophobicContact CB-CG 4.31Å; K412-L418 HydrophobicContact CD-CD2 4.15Å; K412-L418 PolarHBondContact O-N 2.97Å; K412-L418 VanDerWaalsContact O-N 3.13Å
413I96.8Very high94.9Very high5 Ų565.1 Ų65.13%0.02636%0.36CS..Hα-helixtrans-64.1-46.9174.5-67.4173.4000109.7P367 L370 F401 I409 L418 R419P367-I413 HydrophobicContact CB-CG2 4.36Å; P367-I413 HydrophobicContact CG-CG2 4.15Å; L370-I413 HydrophobicContact CD1-CB 3.88Å; L370-I413 HydrophobicContact CD1-CG2 3.72Å; F401-I413 HydrophobicContact CD2-CD1 4.2Å; F401-I413 HydrophobicContact CE2-CD1 3.72Å; F401-I413 HydrophobicContact CE2-CG1 4.15Å; I409-I413 HydrophobicContact CG2-CD1 3.5Å; I409-I413 VanDerWaalsContact CG2-CD1 3.5Å; I409-I413 HydrophobicContact CG2-CG1 4.24Å; I409-I413 WeakPolarHBondContact O-CB 3.48Å; I409-I413 VanDerWaalsContact O-CG1 3.28Å; I409-I413 WeakPolarHBondContact O-CG1 3.33Å; I409-I413 PolarHBondContact O-N 2.67Å; I413-L418 HydrophobicContact CG1-CB 4.32Å; I413-L418 HydrophobicContact CG1-CD2 4.32Å; I413-L418 HydrophobicContact CG1-CG 4.47Å; I413-R419 PolarHBondContact O-NH1 2.73Å
414A94.9Very high94.5Very high13 Ų1365.1 Ų65.111%0.10737%0.368CS..Hα-helixtrans-71.6-36.6-175.300000113.3L370 Q371 G410 M411L370-A414 HydrophobicContact CB-CB 3.94Å; L370-A414 HydrophobicContact CD1-CB 4.49Å; Q371-A414 HydrophobicContact CG-CB 4.03Å; Q371-A414 PolarHBondContact NE2-O 3.34Å; G410-A414 WeakPolarHBondContact O-CB 3.38Å; G410-A414 PolarHBondContact O-N 3.48Å; M411-A414 PolarHBondContact O-N 3.28Å
415L94.8Very high94.1Very high134 Ų13467.1 Ų67.170%0.70240%0.397SS*.Hα-helixtrans-119.6-25.3-168-56178000114.3M411M411-L415 WeakPolarHBondContact O-CB 3.39Å; M411-L415 PolarHBondContact O-N 2.93Å
416E95.9Very high93.7Very high133 Ų13366 Ų6662%0.62139%0.387SS*.SBendtrans-111.2-0.7-171.7-59.8178.2-153.600113.5K412K412-E416 HydrophobicContact CB-CB 4.44Å; K412-E416 CarbonylContact O-C 3.42Å; K412-E416 WeakPolarHBondContact O-CA 3.3Å; K412-E416 WeakPolarHBondContact O-CB 3.27Å; K412-E416 PolarHBondContact O-N 2.89Å
417G94.6Very high93.4Very high48 Ų4865.4 Ų65.450%0.49539%0.391SS..  trans72.725.417900000114.1K412 R419K412-G417 PolarHBondContact O-N 3.19Å; K412-G417 VanDerWaalsContact O-N 3.12Å; G417-R419 PolarHBondContact O-N 2.91Å
418L96.3Very high93.3Very high45 Ų4569.5 Ų69.524%0.23640%0.399CS..  trans-62.8124.9174.7178.366.6000110.6F401 L404 K412 I413F401-L418 HydrophobicContact CD1-CD1 4.05Å; F401-L418 HydrophobicContact CD1-CD2 3.79Å; F401-L418 HydrophobicContact CD1-CG 3.95Å; F401-L418 HydrophobicContact CD2-CD2 4.39Å; F401-L418 HydrophobicContact CE1-CD1 3.72Å; F401-L418 HydrophobicContact CE1-CD2 3.88Å; F401-L418 HydrophobicContact CE1-CG 3.54Å; F401-L418 HydrophobicContact CE2-CD2 4.48Å; F401-L418 HydrophobicContact CG-CD2 4.05Å; F401-L418 HydrophobicContact CZ-CD1 4.49Å; F401-L418 HydrophobicContact CZ-CD2 4.22Å; F401-L418 HydrophobicContact CZ-CG 3.86Å; L404-L418 HydrophobicContact CD1-CD2 3.91Å; K412-L418 HydrophobicContact CB-CB 3.75Å; K412-L418 HydrophobicContact CB-CD2 3.62Å; K412-L418 HydrophobicContact CB-CG 4.31Å; K412-L418 HydrophobicContact CD-CD2 4.15Å; K412-L418 PolarHBondContact O-N 2.97Å; K412-L418 VanDerWaalsContact O-N 3.13Å; I413-L418 HydrophobicContact CG1-CB 4.32Å; I413-L418 HydrophobicContact CG1-CD2 4.32Å; I413-L418 HydrophobicContact CG1-CG 4.47Å
419R95.7Very high93.1Very high69 Ų6970.6 Ų70.626%0.2641%0.408SS..  trans-138.4155.1178.4-58.9-61.5178.1-92.7-2.9109.9P367 I413 G417 E440P367-R419 VanDerWaalsContact CG-CZ 3.44Å; I413-R419 PolarHBondContact O-NH1 2.73Å; G417-R419 PolarHBondContact O-N 2.91Å; R419-E440 IonicContact CZ-OE1 3.4Å; R419-E440 IonicContact CZ-OE2 3.64Å; R419-E440 IonicContact NE-OE1 2.68Å; R419-E440 PolarHBondContact NE-OE1 3.38Å; R419-E440 IonicContact NE-OE2 3.65Å; R419-E440 IonicContact NH2-OE1 3.28Å; R419-E440 PolarHBondContact NH2-OE1 3.02Å; R419-E440 IonicContact NH2-OE2 2.76Å; R419-E440 PolarHBondContact NH2-OE2 3.21Å
420V94Very high93Very high23 Ų2370.2 Ų70.214%0.13941%0.406CS..  trans-70.8148.1172.8-63.10000110.6M389 W392 F401 M438M389-V420 HydrophobicContact CE-CG1 3.53Å; M389-V420 HydrophobicContact CE-CG2 4.37Å; M389-V420 HydrophobicContact SD-CG1 4.22Å; M389-V420 HydrophobicContact SD-CG2 4.08Å; W392-V420 HydrophobicContact CD2-CB 4.3Å; W392-V420 HydrophobicContact CD2-CG1 4.34Å; W392-V420 HydrophobicContact CD2-CG2 4.27Å; W392-V420 HydrophobicContact CE3-CG1 4.46Å; W392-V420 HydrophobicContact CG-CG2 4.13Å; W392-V420 HydrophobicContact CH2-CG1 4.39Å; W392-V420 HydrophobicContact CZ2-CB 4.17Å; W392-V420 HydrophobicContact CZ2-CG1 4.25Å; W392-V420 HydrophobicContact CZ3-CG1 4.49Å; F401-V420 HydrophobicContact CE1-CG1 3.94Å; F401-V420 HydrophobicContact CE2-CG1 4.16Å; F401-V420 HydrophobicContact CZ-CG1 3.61Å; V420-M438 HydrophobicContact CG2-CE 3.92Å; V420-M438 HydrophobicContact CG2-SD 4.09Å
421S92.5Very high92.9Very high95 Ų9571.4 Ų71.466%0.66441%0.412SS*.  trans-88.8141.3168.157.30000109.7W392 P423W392-S421 PolarHBondContact NE1-O 2.87Å; S421-P423 VanDerWaalsContact O-CD 3.26Å; S421-P423 WeakPolarHBondContact O-CD 3.22Å
422I91Very high92.9Very high56 Ų5675 Ų7529%0.28742%0.42SS..  trans-91.9108.5173.6-55.9177.1000107.3I426 I434 A435I422-I426 HydrophobicContact CG2-CB 4.31Å; I422-I426 HydrophobicContact CG2-CD1 3.97Å; I422-I434 HydrophobicContact CD1-CB 4.13Å; I422-I434 HydrophobicContact CD1-CG2 3.82Å; I422-I434 HydrophobicContact CG1-CG2 4.3Å; I422-A435 HydrophobicContact CD1-CB 4.39Å
423P90.1Very high92.8Very high49 Ų4972.2 Ų72.232%0.31841%0.408SS..  trans-63.8149.4-178.222.1-31.5000111.9T396 S421 G425 I426T396-P423 HydrophobicContact CG2-CG 3.73Å; S421-P423 VanDerWaalsContact O-CD 3.26Å; S421-P423 WeakPolarHBondContact O-CD 3.22Å; P423-G425 PolarHBondContact O-N 2.53Å; P423-G425 VanDerWaalsContact O-N 3.07Å; P423-I426 HydrophobicContact CG-CD1 3.76Å; P423-I426 HydrophobicContact CG-CG1 4.07Å; P423-I426 PolarHBondContact O-N 3.19Å
424P86.9Confident92.8Very high140 Ų14072 Ų7291%0.90941%0.407SS*.THydrogen-bonded Turntrans-66.4-12.5-174.426.9-35.3000114.3I426P424-I426 VanDerWaalsContact C-N 3.34Å
425G85.9Confident92.8Very high76 Ų7673.8 Ų73.878%0.78442%0.422SS*.THydrogen-bonded Turntrans-78.1-12.4177.200000114.8P423P423-G425 PolarHBondContact O-N 2.53Å; P423-G425 VanDerWaalsContact O-N 3.07Å
426I88.2Confident92.9Very high23 Ų2370.9 Ų70.912%0.11841%0.406CS..SBendtrans-76.9132.4178.6-65176.7000109.6C395 T396 I422 P423 P424 R428 T430C395-I426 HydrophobicContact CB-CD1 3.71Å; C395-I426 HydrophobicContact CB-CG1 4.02Å; T396-I426 HydrophobicContact CG2-CD1 3.93Å; I422-I426 HydrophobicContact CG2-CB 4.31Å; I422-I426 HydrophobicContact CG2-CD1 3.97Å; P423-I426 HydrophobicContact CG-CD1 3.76Å; P423-I426 HydrophobicContact CG-CG1 4.07Å; P423-I426 PolarHBondContact O-N 3.19Å; P424-I426 VanDerWaalsContact C-N 3.34Å; I426-R428 PolarHBondContact O-N 2.67Å; I426-T430 HydrophobicContact CG2-CG2 3.88Å
427G88.4Confident93Very high44 Ų4464.5 Ų64.545%0.45438%0.377SS..  trans-51.2139.9178.200000112.7N429 T430 S431G427-N429 PolarHBondContact O-N 3Å; G427-N429 VanDerWaalsContact O-N 3.1Å; G427-T430 PolarHBondContact O-N 2.81Å; G427-S431 PolarHBondContact O-N 3.25Å
428R91.7Very high93Very high222 Ų22263.4 Ų63.484%0.83836%0.359SS*.Hα-helixtrans-52.4-38.8-173.5-173.8179.8-178.5-175.31.3113.5I426 R432I426-R428 PolarHBondContact O-N 2.67Å; R428-R432 WeakPolarHBondContact O-CB 3.34Å; R428-R432 PolarHBondContact O-N 3Å
429N92.6Very high93.1Very high112 Ų11263.7 Ų63.760%0.59936%0.361SS*.Hα-helixtrans-68.4-45.3179.9-66.4-17.2000111.4G427 R432 L433 M458G427-N429 PolarHBondContact O-N 3Å; G427-N429 VanDerWaalsContact O-N 3.1Å; N429-R432 PolarHBondContact O-N 3.39Å; N429-L433 WeakPolarHBondContact O-CB 3.48Å; N429-L433 PolarHBondContact O-N 3.22Å; N429-M458 HydrophobicContact CB-CE 4.18Å; N429-M458 HydrophobicContact CB-CG 4.39Å; N429-M458 HydrophobicContact CB-SD 4.12Å
430T93.3Very high93Very high5 Ų565.1 Ų65.13%0.03137%0.37CS..Hα-helixtrans-64.3-45176.8-46.70000111.6L391 C395 I426 G427 R432 L433 I434 M458L391-T430 HydrophobicContact CD1-CG2 4.32Å; L391-T430 HydrophobicContact CD2-CG2 4.35Å; L391-T430 HydrophobicContact CG-CG2 4.25Å; C395-T430 VanDerWaalsContact SG-CG2 3.56Å; I426-T430 HydrophobicContact CG2-CG2 3.88Å; G427-T430 PolarHBondContact O-N 2.81Å; T430-R432 VanDerWaalsContact C-N 3.33Å; T430-R432 PolarHBondContact O-N 3.01Å; T430-L433 PolarHBondContact O-N 2.98Å; T430-L433 VanDerWaalsContact O-N 3.16Å; T430-I434 HydrophobicContact CG2-CD1 3.98Å; T430-I434 HydrophobicContact CG2-CG1 4.44Å; T430-I434 VanDerWaalsContact O-CG1 3.32Å; T430-I434 WeakPolarHBondContact O-CG1 3.42Å; T430-I434 PolarHBondContact O-N 3.43Å; T430-M458 WeakPolarHBondContact OG1-CE 3.34Å
431S94.3Very high93.1Very high39 Ų3968.9 Ų68.927%0.27339%0.387SS..Hα-helixtrans-57-46.2175.3172.30000111.6G427 L433 I434 A435G427-S431 PolarHBondContact O-N 3.25Å; S431-L433 PolarHBondContact O-N 3.33Å; S431-I434 PolarHBondContact O-N 2.75Å; S431-A435 WeakPolarHBondContact O-CB 3.17Å; S431-A435 PolarHBondContact O-N 3.24Å
432R94.7Very high93.2Very high176 Ų17666.2 Ų66.266%0.66437%0.367SS*.Hα-helixtrans-64.2-40.1176.4-173.5176.7-176175.41.7112.3R428 N429 T430 A435 I436R428-R432 WeakPolarHBondContact O-CB 3.34Å; R428-R432 PolarHBondContact O-N 3Å; N429-R432 PolarHBondContact O-N 3.39Å; T430-R432 VanDerWaalsContact C-N 3.33Å; T430-R432 PolarHBondContact O-N 3.01Å; R432-A435 PolarHBondContact O-N 3.48Å; R432-I436 HydrophobicContact CG-CD1 3.88Å; R432-I436 VanDerWaalsContact O-CG1 3.28Å; R432-I436 WeakPolarHBondContact O-CG1 3.45Å; R432-I436 PolarHBondContact O-N 3.03Å
433L96Very high93.4Very high9 Ų967 Ų675%0.04739%0.389CS..Hα-helixtrans-63.9-49.2178.1-177.660.3000111L391 N429 T430 S431 A435 I436 C437 I451 L455 M458L391-L433 HydrophobicContact CD2-CD2 3.87Å; L391-L433 HydrophobicContact CD2-CG 4.15Å; N429-L433 WeakPolarHBondContact O-CB 3.48Å; N429-L433 PolarHBondContact O-N 3.22Å; T430-L433 PolarHBondContact O-N 2.98Å; T430-L433 VanDerWaalsContact O-N 3.16Å; S431-L433 PolarHBondContact O-N 3.33Å; L433-A435 VanDerWaalsContact C-N 3.31Å; L433-A435 PolarHBondContact O-N 3.37Å; L433-I436 PolarHBondContact O-N 3.26Å; L433-C437 PolarHBondContact O-N 3.37Å; L433-C437 PolarHBondContact O-SG 2.9Å; L433-I451 HydrophobicContact CD1-CB 4.23Å; L433-I451 HydrophobicContact CD1-CG2 3.84Å; L433-L455 HydrophobicContact CD2-CD2 3.52Å; L433-L455 HydrophobicContact CD2-CG 4.08Å; L433-M458 HydrophobicContact CD2-SD 4.31Å
434I96.6Very high93.7Very high0 Ų070.3 Ų70.30%040%0.398CS..Hα-helixtrans-54.9-48.9175.3-66.9167000110L391 W392 I422 T430 S431 I436 C437 M438L391-I434 HydrophobicContact CB-CG1 4.33Å; L391-I434 HydrophobicContact CD2-CG1 3.74Å; L391-I434 HydrophobicContact CG-CD1 4.23Å; L391-I434 HydrophobicContact CG-CG1 3.89Å; W392-I434 HydrophobicContact CB-CD1 4.26Å; I422-I434 HydrophobicContact CD1-CB 4.13Å; I422-I434 HydrophobicContact CD1-CG2 3.82Å; I422-I434 HydrophobicContact CG1-CG2 4.3Å; T430-I434 HydrophobicContact CG2-CD1 3.98Å; T430-I434 HydrophobicContact CG2-CG1 4.44Å; T430-I434 VanDerWaalsContact O-CG1 3.32Å; T430-I434 WeakPolarHBondContact O-CG1 3.42Å; T430-I434 PolarHBondContact O-N 3.43Å; S431-I434 PolarHBondContact O-N 2.75Å; I434-I436 VanDerWaalsContact C-N 3.34Å; I434-I436 PolarHBondContact O-N 3.16Å; I434-C437 PolarHBondContact O-N 3.3Å; I434-M438 HydrophobicContact CG2-CG 4.28Å; I434-M438 HydrophobicContact CG2-SD 3.69Å; I434-M438 WeakPolarHBondContact O-CB 3.39Å; I434-M438 WeakPolarHBondContact O-CG 3.47Å; I434-M438 PolarHBondContact O-N 3.05Å
435A95.7Very high94.3Very high52 Ų5264.2 Ų64.243%0.4336%0.357SS..Hα-helixtrans-62.1-37-179.600000113.7I422 S431 R432 L433I422-A435 HydrophobicContact CD1-CB 4.39Å; S431-A435 WeakPolarHBondContact O-CB 3.17Å; S431-A435 PolarHBondContact O-N 3.24Å; R432-A435 PolarHBondContact O-N 3.48Å; L433-A435 VanDerWaalsContact C-N 3.31Å; L433-A435 PolarHBondContact O-N 3.37Å
436I96.1Very high94.8Very high72 Ų7261.4 Ų61.437%0.36933%0.325SS..Hα-helixtrans-70.5-42.2176.8-71.4167.4000110.8R432 L433 I434 M438 N439 P446R432-I436 HydrophobicContact CG-CD1 3.88Å; R432-I436 VanDerWaalsContact O-CG1 3.28Å; R432-I436 WeakPolarHBondContact O-CG1 3.45Å; R432-I436 PolarHBondContact O-N 3.03Å; L433-I436 PolarHBondContact O-N 3.26Å; I434-I436 VanDerWaalsContact C-N 3.34Å; I434-I436 PolarHBondContact O-N 3.16Å; I436-M438 VanDerWaalsContact C-N 3.32Å; I436-N439 PolarHBondContact O-N 3.16Å; I436-P446 HydrophobicContact CG2-CG 4.01Å
437C97.2Very high95.2Very high0 Ų063.9 Ų63.90%034%0.339CS..Hα-helixtrans-70.7-28.1178.6-62.30000112.8M384 A388 L433 I434 N439 R445M384-C437 HydrophobicContact CG-CB 3.9Å; M384-C437 HydrophobicContact SD-CB 3.91Å; A388-C437 HydrophobicContact CB-CB 3.52Å; L433-C437 PolarHBondContact O-N 3.37Å; L433-C437 PolarHBondContact O-SG 2.9Å; I434-C437 PolarHBondContact O-N 3.3Å; C437-N439 VanDerWaalsContact C-N 3.35Å; C437-R445 VanDerWaalsContact O-CD 3.27Å; C437-R445 WeakPolarHBondContact O-CD 3.4Å; C437-R445 WeakPolarHBondContact O-CG 3.49Å
438M96.2Very high95.6Very high25 Ų2562 Ų6212%0.12332%0.318CS..THydrogen-bonded Turntrans-93.627.9174.7-61.9-174.467.500113.5W385 A388 M389 V420 I434 I436 E440W385-M438 HydrophobicContact CD2-CB 4.49Å; W385-M438 HydrophobicContact CD2-CE 4.46Å; W385-M438 HydrophobicContact CD2-CG 4.47Å; W385-M438 HydrophobicContact CE3-CB 4.14Å; W385-M438 HydrophobicContact CH2-CB 4.4Å; W385-M438 HydrophobicContact CH2-CE 4.13Å; W385-M438 HydrophobicContact CZ2-CE 3.57Å; W385-M438 HydrophobicContact CZ3-CB 4.11Å; W385-M438 WeakPolarHBondContact CZ3-O 3.31Å; A388-M438 HydrophobicContact CB-CG 3.38Å; A388-M438 HydrophobicContact CB-SD 4.23Å; M389-M438 HydrophobicContact CG-CE 4.48Å; M389-M438 HydrophobicContact SD-CE 3.43Å; M389-M438 WeakPolarHBondContact SD-CE 3.4Å; M389-M438 HydrophobicContact SD-SD 3.97Å; V420-M438 HydrophobicContact CG2-CE 3.92Å; V420-M438 HydrophobicContact CG2-SD 4.09Å; I434-M438 HydrophobicContact CG2-CG 4.28Å; I434-M438 HydrophobicContact CG2-SD 3.69Å; I434-M438 WeakPolarHBondContact O-CB 3.39Å; I434-M438 WeakPolarHBondContact O-CG 3.47Å; I434-M438 PolarHBondContact O-N 3.05Å; I436-M438 VanDerWaalsContact C-N 3.32Å; M438-E440 PolarHBondContact O-N 2.85Å
439N96.7Very high95.8Very high50 Ų5056.4 Ų56.427%0.26731%0.305SS..  trans-62.9133.7176.8-161.2-66.9000110.9I436 C437 E441 K444 R445I436-N439 PolarHBondContact O-N 3.16Å; C437-N439 VanDerWaalsContact C-N 3.35Å; N439-E441 PolarHBondContact O-N 3.35Å; N439-E441 PolarHBondContact OD1-N 3.41Å; N439-K444 HydrophobicContact CB-CB 4.21Å; N439-R445 HydrophobicContact CB-CG 4.02Å; N439-R445 PolarHBondContact O-NE 2.97Å; N439-R445 PolarHBondContact O-NH2 3.3Å; N439-R445 VanDerWaalsContact O-NH2 3.14Å
440E94.7Very high96Very high99 Ų9956.6 Ų56.646%0.46330%0.302SS..SBendtrans-60.2-31178.6-67.5-61.3148.600112.8R419 M438 P442R419-E440 IonicContact CZ-OE1 3.4Å; R419-E440 IonicContact CZ-OE2 3.64Å; R419-E440 IonicContact NE-OE1 2.68Å; R419-E440 PolarHBondContact NE-OE1 3.38Å; R419-E440 IonicContact NE-OE2 3.65Å; R419-E440 IonicContact NH2-OE1 3.28Å; R419-E440 PolarHBondContact NH2-OE1 3.02Å; R419-E440 IonicContact NH2-OE2 2.76Å; R419-E440 PolarHBondContact NH2-OE2 3.21Å; M438-E440 PolarHBondContact O-N 2.85Å; E440-P442 VanDerWaalsContact O-CD 3.31Å; E440-P442 WeakPolarHBondContact O-CD 3.49Å
441E95.4Very high96.2Very high103 Ų10356.4 Ų56.448%0.48130%0.301SS..SBendtrans-86.8113.3174.8-67.8175.2-13900110N439 G443 K444N439-E441 PolarHBondContact O-N 3.35Å; N439-E441 PolarHBondContact OD1-N 3.41Å; E441-G443 PolarHBondContact O-N 2.76Å; E441-G443 VanDerWaalsContact O-N 3.11Å; E441-K444 HydrophobicContact CB-CB 4.32Å; E441-K444 HydrophobicContact CB-CD 4.06Å; E441-K444 HydrophobicContact CB-CG 4.13Å; E441-K444 PolarHBondContact O-N 3.28Å; E441-K444 IonicContact OE1-NZ 3.12Å; E441-K444 PolarHBondContact OE1-NZ 3.07Å; E441-K444 VanDerWaalsContact OE2-CD 3.31Å; E441-K444 WeakPolarHBondContact OE2-CD 3.3Å; E441-K444 WeakPolarHBondContact OE2-CE 3.27Å; E441-K444 IonicContact OE2-NZ 3.69Å; E441-K444 PolarHBondContact OE2-NZ 2.7Å
442P95.9Very high96.3Very high38 Ų3855.6 Ų55.625%0.24729%0.293CS..G310 helixtrans-59.3-31.8-174.7-25.435.4000113.5E368 A381 E440 K444 R445E368-P442 HydrophobicContact CG-CG 3.98Å; A381-P442 HydrophobicContact CB-CB 3.76Å; A381-P442 WeakPolarHBondContact CB-O 3.43Å; E440-P442 VanDerWaalsContact O-CD 3.31Å; E440-P442 WeakPolarHBondContact O-CD 3.49Å; P442-K444 PolarHBondContact O-N 2.68Å; P442-R445 PolarHBondContact O-N 3.2Å
443G95.2Very high96.4Very high74 Ų7450.7 Ų50.776%0.76328%0.284SS*.G310 helixtrans-71.9-12.4178.100000115E441E441-G443 PolarHBondContact O-N 2.76Å; E441-G443 VanDerWaalsContact O-N 3.11Å
444K96.5Very high96.4Very high117 Ų11754.3 Ų54.351%0.50930%0.303SS..G310 helixtrans-93.5-9.1175.2-71.4-177.3175.8155.70112.9N439 E441 P442N439-K444 HydrophobicContact CB-CB 4.21Å; E441-K444 HydrophobicContact CB-CB 4.32Å; E441-K444 HydrophobicContact CB-CD 4.06Å; E441-K444 HydrophobicContact CB-CG 4.13Å; E441-K444 PolarHBondContact O-N 3.28Å; E441-K444 IonicContact OE1-NZ 3.12Å; E441-K444 PolarHBondContact OE1-NZ 3.07Å; E441-K444 VanDerWaalsContact OE2-CD 3.31Å; E441-K444 WeakPolarHBondContact OE2-CD 3.3Å; E441-K444 WeakPolarHBondContact OE2-CE 3.27Å; E441-K444 IonicContact OE2-NZ 3.69Å; E441-K444 PolarHBondContact OE2-NZ 2.7Å; P442-K444 PolarHBondContact O-N 2.68Å
445R97.7Very high96.4Very high13 Ų1354.3 Ų54.35%0.04930%0.303CS..SBendtrans-73.9139.8176.1-59.6179.1-164.2153.411.3109.2E368 A381 M384 C437 N439 P442E368-R445 IonicContact OE1-CZ 3.85Å; E368-R445 VanDerWaalsContact OE1-CZ 3.32Å; E368-R445 IonicContact OE1-NH1 3.58Å; E368-R445 PolarHBondContact OE1-NH1 3.33Å; E368-R445 IonicContact OE1-NH2 2.81Å; E368-R445 PolarHBondContact OE1-NH2 3.42Å; E368-R445 IonicContact OE2-CZ 2.74Å; E368-R445 IonicContact OE2-NH1 2.67Å; E368-R445 IonicContact OE2-NH2 3.97Å; E368-R445 PolarHBondContact OE2-NH2 2.9Å; A381-R445 VanDerWaalsContact O-CD 3.25Å; A381-R445 WeakPolarHBondContact O-CD 3.11Å; A381-R445 PolarHBondContact O-NH1 3.05Å; M384-R445 HydrophobicContact CG-CB 4.24Å; C437-R445 VanDerWaalsContact O-CD 3.27Å; C437-R445 WeakPolarHBondContact O-CD 3.4Å; C437-R445 WeakPolarHBondContact O-CG 3.49Å; N439-R445 HydrophobicContact CB-CG 4.02Å; N439-R445 PolarHBondContact O-NE 2.97Å; N439-R445 PolarHBondContact O-NH2 3.3Å; N439-R445 VanDerWaalsContact O-NH2 3.14Å; P442-R445 PolarHBondContact O-N 3.2Å
446P97.5Very high96.3Very high17 Ų1755 Ų5511%0.1130%0.297CS..PPolyproline II helixtrans-71.7163.7177.931.9-35.2000110.8M384 I436 Q450 I451M384-P446 VanDerWaalsContact CE-O 3.27Å; M384-P446 WeakPolarHBondContact CE-O 3.15Å; M384-P446 HydrophobicContact CG-CG 4.37Å; M384-P446 WeakPolarHBondContact CG-O 3.26Å; M384-P446 HydrophobicContact SD-CG 4.39Å; I436-P446 HydrophobicContact CG2-CG 4.01Å; P446-Q450 VanDerWaalsContact CA-OE1 3.27Å; P446-Q450 HydrophobicContact CB-CB 4.21Å; P446-I451 HydrophobicContact CB-CG2 3.87Å; P446-I451 HydrophobicContact CG-CG2 3.54Å
447N96.9Very high96.2Very high75 Ų7559.2 Ų59.240%0.40131%0.313SS..PPolyproline II helixtrans-84.7161.5164.8-65.1-27.4000110.5M384 D449 Q450 I451M384-N447 VanDerWaalsContact CE-C 3.49Å; N447-D449 VanDerWaalsContact C-N 3.29Å; N447-D449 PolarHBondContact O-N 3.11Å; N447-Q450 WeakPolarHBondContact O-CB 3.45Å; N447-Q450 PolarHBondContact O-N 3Å; N447-I451 PolarHBondContact O-N 2.92Å
448F97.5Very high96.1Very high3 Ų360.7 Ų60.71%0.01332%0.32CS..Hα-helixtrans-57.8-39.4178.5-74.8-78.1000112.9A311 M314 A315 H318 D383 M384 F387 Q450 I451 I452A311-F448 HydrophobicContact CB-CD1 3.83Å; A311-F448 HydrophobicContact CB-CE1 4.4Å; M314-F448 HydrophobicContact CB-CD1 4Å; M314-F448 HydrophobicContact CB-CD2 3.64Å; M314-F448 HydrophobicContact CB-CE1 3.78Å; M314-F448 HydrophobicContact CB-CE2 3.42Å; M314-F448 VanDerWaalsContact CB-CE2 3.42Å; M314-F448 HydrophobicContact CB-CG 3.94Å; M314-F448 HydrophobicContact CB-CZ 3.49Å; M314-F448 VanDerWaalsContact CB-CZ 3.49Å; M314-F448 HydrophobicContact CE-CE2 4.41Å; M314-F448 HydrophobicContact CG-CE1 4.21Å; M314-F448 HydrophobicContact CG-CE2 4.11Å; M314-F448 HydrophobicContact CG-CZ 3.81Å; A315-F448 HydrophobicContact CB-CB 3.66Å; H318-F448 AromaticContact CE1-CD2 3.67Å; H318-F448 AromaticContact CE1-CE2 3.56Å; H318-F448 AromaticContact ND1-CD2 3.74Å; D383-F448 HydrophobicContact CB-CE2 4.25Å; M384-F448 HydrophobicContact CE-CB 4.31Å; M384-F448 HydrophobicContact CE-CD1 3.64Å; M384-F448 HydrophobicContact CE-CD2 3.87Å; M384-F448 HydrophobicContact CE-CE1 3.81Å; M384-F448 HydrophobicContact CE-CE2 4Å; M384-F448 HydrophobicContact CE-CG 3.67Å; M384-F448 HydrophobicContact CE-CZ 3.98Å; M384-F448 HydrophobicContact SD-CE1 4.28Å; M384-F448 HydrophobicContact SD-CZ 4.43Å; F387-F448 HydrophobicContact CB-CE1 3.66Å; F387-F448 HydrophobicContact CB-CZ 3.73Å; F387-F448 HydrophobicContact CD1-CE1 4.12Å; F387-F448 AromaticContact CD2-CE1 3.85Å; F387-F448 HydrophobicContact CD2-CE1 3.85Å; F387-F448 AromaticContact CG-CE1 3.58Å; F387-F448 HydrophobicContact CG-CE1 3.58Å; F387-F448 HydrophobicContact CG-CZ 4.19Å; F448-Q450 PolarHBondContact O-N 3.44Å; F448-Q450 VanDerWaalsContact O-N 3.12Å; F448-I451 HydrophobicContact CD1-CD1 3.92Å; F448-I451 HydrophobicContact CD1-CG1 4.43Å; F448-I451 HydrophobicContact CE1-CD1 4.35Å; F448-I451 WeakPolarHBondContact O-CG1 3.4Å; F448-I451 PolarHBondContact O-N 3.47Å; F448-I452 VanDerWaalsContact O-CG1 3.31Å; F448-I452 WeakPolarHBondContact O-CG1 3.48Å; F448-I452 PolarHBondContact O-N 3.41Å
449D95.1Very high95.7Very high105 Ų10562 Ų6256%0.56134%0.335SS*.Hα-helixtrans-58-28176.4-58.3-52.9000113.7N447 P453N447-D449 VanDerWaalsContact C-N 3.29Å; N447-D449 PolarHBondContact O-N 3.11Å; D449-P453 VanDerWaalsContact O-CD 3.28Å; D449-P453 WeakPolarHBondContact O-CD 3.28Å
450Q96.6Very high95.1Very high116 Ų11669.6 Ų69.654%0.54237%0.369SS..Hα-helixtrans-81.8-27.5-179.9-63.4176.2-52.900112.4P446 N447 F448P446-Q450 VanDerWaalsContact CA-OE1 3.27Å; P446-Q450 HydrophobicContact CB-CB 4.21Å; N447-Q450 WeakPolarHBondContact O-CB 3.45Å; N447-Q450 PolarHBondContact O-N 3Å; F448-Q450 PolarHBondContact O-N 3.44Å; F448-Q450 VanDerWaalsContact O-N 3.12Å
451I97.1Very high95.1Very high2 Ų268.2 Ų68.21%0.0136%0.364CS..Hα-helixtrans-94.8-24.9-176.962.9160.3000113.2A311 M384 F387 L433 P446 N447 F448 I454 L455A311-I451 HydrophobicContact CB-CD1 4.36Å; M384-I451 HydrophobicContact CE-CD1 3.69Å; M384-I451 HydrophobicContact CE-CG1 4.1Å; M384-I451 HydrophobicContact SD-CD1 3.8Å; F387-I451 HydrophobicContact CD1-CD1 3.78Å; F387-I451 HydrophobicContact CE1-CD1 3.36Å; F387-I451 HydrophobicContact CZ-CD1 3.94Å; L433-I451 HydrophobicContact CD1-CB 4.23Å; L433-I451 HydrophobicContact CD1-CG2 3.84Å; P446-I451 HydrophobicContact CB-CG2 3.87Å; P446-I451 HydrophobicContact CG-CG2 3.54Å; N447-I451 PolarHBondContact O-N 2.92Å; F448-I451 HydrophobicContact CD1-CD1 3.92Å; F448-I451 HydrophobicContact CD1-CG1 4.43Å; F448-I451 HydrophobicContact CE1-CD1 4.35Å; F448-I451 WeakPolarHBondContact O-CG1 3.4Å; F448-I451 PolarHBondContact O-N 3.47Å; I451-I454 WeakPolarHBondContact O-CA 3.42Å; I451-I454 WeakPolarHBondContact O-CB 3.44Å; I451-I454 PolarHBondContact O-N 3.1Å; I451-L455 HydrophobicContact CD1-CD1 4.29Å; I451-L455 WeakPolarHBondContact O-CG 3.22Å; I451-L455 PolarHBondContact O-N 3.43Å
452I96.8Very high95.1Very high21 Ų2166.3 Ų66.311%0.10836%0.358CS..Hα-helixtrans-55.1-49.9179.7-71.6162.4000111.5A311 R312 A315 F448 I454 L455 E456A311-I452 HydrophobicContact CB-CD1 4.49Å; A311-I452 HydrophobicContact CB-CG1 3.81Å; R312-I452 HydrophobicContact CG-CD1 3.97Å; R312-I452 HydrophobicContact CG-CG1 4.34Å; R312-I452 HydrophobicContact CG-CG2 4.35Å; A315-I452 HydrophobicContact CB-CD1 3.87Å; F448-I452 VanDerWaalsContact O-CG1 3.31Å; F448-I452 WeakPolarHBondContact O-CG1 3.48Å; F448-I452 PolarHBondContact O-N 3.41Å; I452-I454 PolarHBondContact O-N 2.98Å; I452-L455 PolarHBondContact O-N 2.91Å; I452-E456 HydrophobicContact CG2-CG 4.37Å; I452-E456 WeakPolarHBondContact O-CG 3.26Å; I452-E456 PolarHBondContact O-N 2.96Å
453P96.5Very high95.1Very high73 Ų7367.9 Ų67.947%0.47436%0.364SS..Hα-helixtrans-62.8-28.8177.6-22.834.3000113.5D449 K457D449-P453 VanDerWaalsContact O-CD 3.28Å; D449-P453 WeakPolarHBondContact O-CD 3.28Å; P453-K457 WeakPolarHBondContact O-CB 3.34Å; P453-K457 PolarHBondContact O-N 2.83Å; P453-K457 VanDerWaalsContact O-N 3.11Å
454I96.4Very high95.1Very high85 Ų8567.5 Ų67.544%0.43634%0.341SS..Hα-helixtrans-70.8-46.2177.2-57.4176.2000109.7I451 I452 K457 M458I451-I454 WeakPolarHBondContact O-CA 3.42Å; I451-I454 WeakPolarHBondContact O-CB 3.44Å; I451-I454 PolarHBondContact O-N 3.1Å; I452-I454 PolarHBondContact O-N 2.98Å; I454-K457 PolarHBondContact O-N 3.13Å; I454-M458 HydrophobicContact CG2-SD 4.08Å; I454-M458 VanDerWaalsContact O-CG 3.29Å; I454-M458 WeakPolarHBondContact O-CG 3.38Å; I454-M458 PolarHBondContact O-N 2.89Å
455L96.2Very high95Very high0 Ų064.4 Ų64.40%033%0.33CS..Hα-helixtrans-62.9-43.3177-70167.6000111.6L304 A307 I308 A311 F387 L433 I451 I452 K457 M458 A459L304-L455 HydrophobicContact CD2-CD2 4.42Å; A307-L455 HydrophobicContact CB-CD2 4.27Å; I308-L455 HydrophobicContact CD1-CB 4.3Å; I308-L455 HydrophobicContact CG1-CB 3.55Å; I308-L455 HydrophobicContact CG1-CD1 4.44Å; A311-L455 HydrophobicContact CB-CD1 3.95Å; F387-L455 HydrophobicContact CZ-CD1 3.85Å; L433-L455 HydrophobicContact CD2-CD2 3.52Å; L433-L455 HydrophobicContact CD2-CG 4.08Å; I451-L455 HydrophobicContact CD1-CD1 4.29Å; I451-L455 WeakPolarHBondContact O-CG 3.22Å; I451-L455 PolarHBondContact O-N 3.43Å; I452-L455 PolarHBondContact O-N 2.91Å; L455-K457 VanDerWaalsContact C-N 3.32Å; L455-K457 PolarHBondContact O-N 3.12Å; L455-M458 WeakPolarHBondContact O-CB 3.33Å; L455-M458 PolarHBondContact O-N 3.45Å; L455-A459 PolarHBondContact O-N 2.98Å
456E94.6Very high94.8Very high66 Ų6667.9 Ų67.931%0.30835%0.349SS..Hα-helixtrans-59.9-42.4175.9-72.7173.4169.900111.7I308 R312 I452 M458 A459 Q460I308-E456 HydrophobicContact CD1-CG 4.29Å; R312-E456 IonicContact CZ-OE1 3.41Å; R312-E456 IonicContact NE-OE1 2.9Å; R312-E456 IonicContact NH2-OE1 3.69Å; R312-E456 PolarHBondContact NH2-OE1 2.97Å; I452-E456 HydrophobicContact CG2-CG 4.37Å; I452-E456 WeakPolarHBondContact O-CG 3.26Å; I452-E456 PolarHBondContact O-N 2.96Å; E456-M458 VanDerWaalsContact C-N 3.28Å; E456-M458 PolarHBondContact O-N 2.8Å; E456-A459 PolarHBondContact O-N 3.35Å; E456-Q460 PolarHBondContact O-N 3.32Å
457K94.6Very high94.6Very high162 Ų16271.5 Ų71.570%0.70437%0.366SS*.Hα-helixtrans-66.8-28.6174.7-175174.8-179.8177.10113P453 I454 L455 A459P453-K457 WeakPolarHBondContact O-CB 3.34Å; P453-K457 PolarHBondContact O-N 2.83Å; P453-K457 VanDerWaalsContact O-N 3.11Å; I454-K457 PolarHBondContact O-N 3.13Å; L455-K457 VanDerWaalsContact C-N 3.32Å; L455-K457 PolarHBondContact O-N 3.12Å; K457-A459 VanDerWaalsContact C-N 3.34Å
458M93.1Very high94.4Very high30 Ų3071.2 Ų71.215%0.14836%0.363CS..Hα-helixtrans-76.5-23.4175.1-71.4169.657.500112.6L304 N429 T430 L433 I454 L455 E456L304-M458 HydrophobicContact CD1-CB 4.11Å; L304-M458 VanDerWaalsContact CD1-O 3.26Å; L304-M458 WeakPolarHBondContact CD1-O 3.48Å; L304-M458 HydrophobicContact CD2-CB 4.35Å; L304-M458 HydrophobicContact CD2-CE 4.01Å; N429-M458 HydrophobicContact CB-CE 4.18Å; N429-M458 HydrophobicContact CB-CG 4.39Å; N429-M458 HydrophobicContact CB-SD 4.12Å; T430-M458 WeakPolarHBondContact OG1-CE 3.34Å; L433-M458 HydrophobicContact CD2-SD 4.31Å; I454-M458 HydrophobicContact CG2-SD 4.08Å; I454-M458 VanDerWaalsContact O-CG 3.29Å; I454-M458 WeakPolarHBondContact O-CG 3.38Å; I454-M458 PolarHBondContact O-N 2.89Å; L455-M458 WeakPolarHBondContact O-CB 3.33Å; L455-M458 PolarHBondContact O-N 3.45Å; E456-M458 VanDerWaalsContact C-N 3.28Å; E456-M458 PolarHBondContact O-N 2.8Å
459A89.6Confident94.2Very high53 Ų5376.9 Ų76.944%0.43839%0.393SS..Hα-helixtrans-86.4-14179.100000113.7L304 I308 L455 E456 K457L304-A459 HydrophobicContact CB-CB 4.3Å; L304-A459 HydrophobicContact CD1-CB 4.37Å; I308-A459 HydrophobicContact CD1-CB 3.88Å; L455-A459 PolarHBondContact O-N 2.98Å; E456-A459 PolarHBondContact O-N 3.35Å; K457-A459 VanDerWaalsContact C-N 3.34Å
460Q83.6Confident94.1Very high210 Ų21074.4 Ų74.498%0.98138%0.377SS*.  trans-81.70169.3-67.71737.700110.3E456E456-Q460 PolarHBondContact O-N 3.32Å

Retrieved 460 of 460 residues in 335.3 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).