A0A5K4FAI9_SCHMA Loading...

MAM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAI9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 900 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.2Low71.5Confident200 Ų200121.7 Ų121.799%0.98562%0.621SS**  0-74.90-113.9176.6178.700113I3 V4 C5M1-I3 VanDerWaalsContact C-N 3.35Å; M1-I3 PolarHBondContact O-N 3.36Å; M1-I3 VanDerWaalsContact O-N 3.12Å; M1-V4 WeakPolarHBondContact O-CA 3.32Å; M1-V4 WeakPolarHBondContact O-CB 3.41Å; M1-V4 PolarHBondContact O-N 2.72Å; M1-C5 PolarHBondContact O-N 3Å
2K70Confident71.1Confident188 Ų188117.1 Ų117.182%0.81760%0.603SS**Hα-helixtrans-44.8-49.5-173.6-71.9-173.6175.7-176.40115.2C5 S6K2-C5 PolarHBondContact O-N 3.14Å; K2-S6 PolarHBondContact O-N 3.13Å; K2-S6 PolarHBondContact O-OG 3.14Å
3I75.1Confident70.3Confident129 Ų129115.3 Ų115.366%0.66259%0.594SS**Hα-helixtrans-59.3-47.4177-65.8162.8000111.6M1 C5 S6 I7M1-I3 VanDerWaalsContact C-N 3.35Å; M1-I3 PolarHBondContact O-N 3.36Å; M1-I3 VanDerWaalsContact O-N 3.12Å; I3-C5 VanDerWaalsContact C-N 3.34Å; I3-C5 PolarHBondContact O-N 3.41Å; I3-S6 WeakPolarHBondContact O-CB 3.44Å; I3-S6 PolarHBondContact O-N 3.35Å; I3-I7 HydrophobicContact CG2-CD1 3.78Å; I3-I7 HydrophobicContact CG2-CG1 4.43Å; I3-I7 WeakPolarHBondContact O-CG1 3.31Å; I3-I7 PolarHBondContact O-N 3.13Å
4V74Confident69.4Low89 Ų89113.7 Ų113.754%0.53960%0.598SS.*Hα-helixtrans-61.7-40.7177.8-178.40000111.4M1 S6 I7 L8M1-V4 WeakPolarHBondContact O-CA 3.32Å; M1-V4 WeakPolarHBondContact O-CB 3.41Å; M1-V4 PolarHBondContact O-N 2.72Å; V4-S6 VanDerWaalsContact C-N 3.32Å; V4-S6 PolarHBondContact O-N 3.39Å; V4-I7 PolarHBondContact O-N 3.45Å; V4-L8 HydrophobicContact CG1-CD1 4.37Å; V4-L8 WeakPolarHBondContact O-CB 3.47Å; V4-L8 PolarHBondContact O-N 2.82Å
5C72.9Confident68.6Low77 Ų77113.1 Ų113.152%0.5260%0.601SS.*Hα-helixtrans-65.3-36.2173.8-58.40000112.1M1 K2 I3 F9M1-C5 PolarHBondContact O-N 3Å; K2-C5 PolarHBondContact O-N 3.14Å; I3-C5 VanDerWaalsContact C-N 3.34Å; I3-C5 PolarHBondContact O-N 3.41Å; C5-F9 VanDerWaalsContact O-CB 3.25Å; C5-F9 WeakPolarHBondContact O-CB 3.46Å; C5-F9 PolarHBondContact O-N 3.01Å
6S74.3Confident67.8Low68 Ų68115.3 Ų115.348%0.47660%0.603SS.*Hα-helixtrans-68.4-43.3177.6-52.10000111.3K2 I3 V4 F9 L10K2-S6 PolarHBondContact O-N 3.13Å; K2-S6 PolarHBondContact O-OG 3.14Å; I3-S6 WeakPolarHBondContact O-CB 3.44Å; I3-S6 PolarHBondContact O-N 3.35Å; V4-S6 VanDerWaalsContact C-N 3.32Å; V4-S6 PolarHBondContact O-N 3.39Å; S6-F9 PolarHBondContact O-N 2.94Å; S6-L10 WeakPolarHBondContact O-CB 3.25Å; S6-L10 WeakPolarHBondContact O-CG 3.43Å; S6-L10 PolarHBondContact O-N 2.83Å
7I77.2Confident66.4Low105 Ų105111 Ų11154%0.53859%0.593SS.*Hα-helixtrans-63.2-44.9174.6-65.7166.8000110.6I3 V4 F9 L10 F11I3-I7 HydrophobicContact CG2-CD1 3.78Å; I3-I7 HydrophobicContact CG2-CG1 4.43Å; I3-I7 WeakPolarHBondContact O-CG1 3.31Å; I3-I7 PolarHBondContact O-N 3.13Å; V4-I7 PolarHBondContact O-N 3.45Å; I7-F9 VanDerWaalsContact C-N 3.33Å; I7-F9 PolarHBondContact O-N 2.98Å; I7-L10 PolarHBondContact O-N 3.21Å; I7-F11 WeakPolarHBondContact O-CB 3.38Å; I7-F11 PolarHBondContact O-N 2.94Å
8L74Confident65.8Low92 Ų92107.9 Ų107.948%0.48258%0.576SS.*Hα-helixtrans-62.4-37.9174.3-99160.1000112.6V4 F11 V12V4-L8 HydrophobicContact CG1-CD1 4.37Å; V4-L8 WeakPolarHBondContact O-CB 3.47Å; V4-L8 PolarHBondContact O-N 2.82Å; L8-F11 PolarHBondContact O-N 3.22Å; L8-V12 WeakPolarHBondContact O-CB 3.5Å; L8-V12 VanDerWaalsContact O-CG2 3.25Å; L8-V12 WeakPolarHBondContact O-CG2 3.21Å; L8-V12 PolarHBondContact O-N 3.27Å
9F71.7Confident65.5Low138 Ų138107.1 Ų107.161%0.60558%0.575SS**Hα-helixtrans-68.5-44.2177.6-165.3-107000111.4C5 S6 I7 F11 V12 L13C5-F9 VanDerWaalsContact O-CB 3.25Å; C5-F9 WeakPolarHBondContact O-CB 3.46Å; C5-F9 PolarHBondContact O-N 3.01Å; S6-F9 PolarHBondContact O-N 2.94Å; I7-F9 VanDerWaalsContact C-N 3.33Å; I7-F9 PolarHBondContact O-N 2.98Å; F9-F11 VanDerWaalsContact C-N 3.34Å; F9-F11 PolarHBondContact O-N 2.93Å; F9-V12 PolarHBondContact O-N 2.9Å; F9-L13 HydrophobicContact CD1-CD1 3.69Å; F9-L13 HydrophobicContact CD1-CG 4.36Å; F9-L13 HydrophobicContact CE1-CD1 3.61Å; F9-L13 HydrophobicContact CE1-CG 4.29Å; F9-L13 HydrophobicContact CZ-CD1 4.4Å; F9-L13 WeakPolarHBondContact O-CB 3.23Å; F9-L13 VanDerWaalsContact O-CG 3.29Å; F9-L13 WeakPolarHBondContact O-CG 3.4Å; F9-L13 PolarHBondContact O-N 3.17Å
10L72.8Confident65.3Low116 Ų116104.6 Ų104.661%0.60756%0.564SS**Hα-helixtrans-61.1-40.8172.5-71.4169.3000112S6 I7 L13 S14S6-L10 WeakPolarHBondContact O-CB 3.25Å; S6-L10 WeakPolarHBondContact O-CG 3.43Å; S6-L10 PolarHBondContact O-N 2.83Å; I7-L10 PolarHBondContact O-N 3.21Å; L10-L13 PolarHBondContact O-N 2.94Å; L10-S14 VanDerWaalsContact O-CB 3.3Å; L10-S14 WeakPolarHBondContact O-CB 3.22Å; L10-S14 PolarHBondContact O-N 3.24Å
11F67.3Low65.3Low137 Ų137101.3 Ų101.360%0.60155%0.547SS*.Hα-helixtrans-68.4-40.9177.3-159.3-91.7000112.1I7 L8 F9 S14 V15I7-F11 WeakPolarHBondContact O-CB 3.38Å; I7-F11 PolarHBondContact O-N 2.94Å; L8-F11 PolarHBondContact O-N 3.22Å; F9-F11 VanDerWaalsContact C-N 3.34Å; F9-F11 PolarHBondContact O-N 2.93Å; F11-S14 PolarHBondContact O-N 3.47Å; F11-V15 HydrophobicContact CD1-CG2 3.99Å; F11-V15 HydrophobicContact CE1-CG2 3.81Å; F11-V15 HydrophobicContact CZ-CG2 4.47Å; F11-V15 WeakPolarHBondContact O-CB 3.46Å; F11-V15 VanDerWaalsContact O-CG2 3.3Å; F11-V15 WeakPolarHBondContact O-CG2 3.4Å; F11-V15 PolarHBondContact O-N 2.83Å
12V66.4Low66.1Low66 Ų6697.1 Ų97.140%0.453%0.528SS..Hα-helixtrans-69-32.6175.3169.10000112.1L8 F9 K16L8-V12 WeakPolarHBondContact O-CB 3.5Å; L8-V12 VanDerWaalsContact O-CG2 3.25Å; L8-V12 WeakPolarHBondContact O-CG2 3.21Å; L8-V12 PolarHBondContact O-N 3.27Å; F9-V12 PolarHBondContact O-N 2.9Å; V12-K16 WeakPolarHBondContact O-CB 3.31Å; V12-K16 PolarHBondContact O-N 3.45Å
13L61.6Low66.8Low94 Ų9492.2 Ų92.249%0.49251%0.505SS..Hα-helixtrans-68-45.6169.9-75.7172.2000111.2F9 L10 V15 K16 G17F9-L13 HydrophobicContact CD1-CD1 3.69Å; F9-L13 HydrophobicContact CD1-CG 4.36Å; F9-L13 HydrophobicContact CE1-CD1 3.61Å; F9-L13 HydrophobicContact CE1-CG 4.29Å; F9-L13 HydrophobicContact CZ-CD1 4.4Å; F9-L13 WeakPolarHBondContact O-CB 3.23Å; F9-L13 VanDerWaalsContact O-CG 3.29Å; F9-L13 WeakPolarHBondContact O-CG 3.4Å; F9-L13 PolarHBondContact O-N 3.17Å; L10-L13 PolarHBondContact O-N 2.94Å; L13-V15 PolarHBondContact O-N 3.34Å; L13-K16 CarbonylContact O-C 3.58Å; L13-K16 WeakPolarHBondContact O-CA 3.29Å; L13-K16 PolarHBondContact O-N 3.14Å; L13-G17 WeakPolarHBondContact O-CA 3.3Å; L13-G17 PolarHBondContact O-N 3.43Å
14S57Low67.4Low93 Ų9386 Ų8665%0.6547%0.473SS*.Hα-helixtrans-60.4-44.1177.6176.10000112.2L10 F11 K16 G17L10-S14 VanDerWaalsContact O-CB 3.3Å; L10-S14 WeakPolarHBondContact O-CB 3.22Å; L10-S14 PolarHBondContact O-N 3.24Å; F11-S14 PolarHBondContact O-N 3.47Å; S14-K16 PolarHBondContact O-N 2.99Å; S14-G17 PolarHBondContact O-N 3.2Å; S14-G17 VanDerWaalsContact O-N 3.13Å
15V57.5Low68.1Low105 Ų10583 Ų8364%0.63646%0.456SS*.THydrogen-bonded Turntrans-70.9-11176.5173.80000113F11 L13F11-V15 HydrophobicContact CD1-CG2 3.99Å; F11-V15 HydrophobicContact CE1-CG2 3.81Å; F11-V15 HydrophobicContact CZ-CG2 4.47Å; F11-V15 WeakPolarHBondContact O-CB 3.46Å; F11-V15 VanDerWaalsContact O-CG2 3.3Å; F11-V15 WeakPolarHBondContact O-CG2 3.4Å; F11-V15 PolarHBondContact O-N 2.83Å; L13-V15 PolarHBondContact O-N 3.34Å
16K55.2Low68.9Low148 Ų14879.6 Ų79.664%0.64343%0.433SS*.THydrogen-bonded Turntrans-117.518171.9-67.1-172.6175.5-172.90112.7V12 L13 S14 L18V12-K16 WeakPolarHBondContact O-CB 3.31Å; V12-K16 PolarHBondContact O-N 3.45Å; L13-K16 CarbonylContact O-C 3.58Å; L13-K16 WeakPolarHBondContact O-CA 3.29Å; L13-K16 PolarHBondContact O-N 3.14Å; S14-K16 PolarHBondContact O-N 2.99Å; K16-L18 PolarHBondContact O-N 2.61Å
17G44.8Very low69.5Low42 Ų4279.4 Ų79.443%0.43343%0.426SS..  trans-71.691.4-179.900000110.1L13 S14 V19L13-G17 WeakPolarHBondContact O-CA 3.3Å; L13-G17 PolarHBondContact O-N 3.43Å; S14-G17 PolarHBondContact O-N 3.2Å; S14-G17 VanDerWaalsContact O-N 3.13Å; G17-V19 PolarHBondContact O-N 3.14Å
18L55.4Low69.9Low55 Ų5574.4 Ų74.429%0.28840%0.401SS..  trans-51.5109.6158.8-94.8155.2000107.3K16 T20 Y223 E225 L230K16-L18 PolarHBondContact O-N 2.61Å; L18-T20 PolarHBondContact O-N 3.1Å; L18-Y223 HydrophobicContact CD2-CD1 4.39Å; L18-E225 HydrophobicContact CD2-CB 4.09Å; L18-E225 HydrophobicContact CD2-CG 4.11Å; L18-E225 WeakPolarHBondContact CD2-OE2 3.02Å; L18-L230 HydrophobicContact CD1-CD2 3.6Å; L18-L230 HydrophobicContact CD1-CG 4.44Å; L18-L230 HydrophobicContact CD2-CD2 3.86Å; L18-L230 HydrophobicContact CD2-CG 4Å; L18-L230 HydrophobicContact CG-CD2 4.37Å
19V60.2Low70.2Confident92 Ų9275.2 Ų75.256%0.55840%0.402SS*.  trans-71.395.6-177.8-178.90000108.1G17 T224G17-V19 PolarHBondContact O-N 3.14Å; V19-T224 HydrophobicContact CG1-CG2 4.33Å; V19-T224 PolarHBondContact O-N 3.45Å; V19-T224 PolarHBondContact O-OG1 3.48Å; V19-T224 VanDerWaalsContact O-OG1 3.11Å
20T62.1Low70.2Confident57 Ų5771.8 Ų71.835%0.3540%0.395SS..BIsolated β-bridgetrans-63.2146.4164.949.70000108.8L18 D22 T221 S222 Y223L18-T20 PolarHBondContact O-N 3.1Å; T20-D22 WeakPolarHBondContact CB-OD1 3.48Å; T20-D22 PolarHBondContact OG1-OD1 3.19Å; T20-T221 HydrophobicContact CG2-CG2 3.83Å; T20-S222 VanDerWaalsContact CA-O 3.29Å; T20-S222 WeakPolarHBondContact CA-O 3.43Å; T20-Y223 HydrophobicContact CG2-CD1 3.95Å; T20-Y223 HydrophobicContact CG2-CE1 3.82Å
21N63.9Low69.9Low37 Ų3769.2 Ų69.220%0.19839%0.387CS..  trans-103.6106.9164.9-151.7-15.3000107.6W23 S25 D108 I110 S222N21-W23 PolarHBondContact ND2-NE1 2.99Å; N21-W23 PolarHBondContact O-N 3.22Å; N21-W23 PolarHBondContact OD1-NE1 2.82Å; N21-S25 PolarHBondContact O-OG 3.27Å; N21-D108 PolarHBondContact ND2-O 2.94Å; N21-D108 VanDerWaalsContact ND2-O 3.1Å; N21-I110 HydrophobicContact CB-CD1 4.37Å; N21-I110 HydrophobicContact CB-CG1 4.29Å; N21-S222 WeakPolarHBondContact CB-OG 3.2Å; N21-S222 PolarHBondContact N-O 2.85Å; N21-S222 PolarHBondContact O-OG 3.48Å
22D74.5Confident70.4Confident112 Ų11268.8 Ų68.860%0.59939%0.387SS*.G310 helixtrans-75-27.2-161.2-69.3-2.4000112.1T20 L24 S25T20-D22 WeakPolarHBondContact CB-OD1 3.48Å; T20-D22 PolarHBondContact OG1-OD1 3.19Å; D22-L24 PolarHBondContact O-N 3.32Å; D22-S25 PolarHBondContact O-N 3Å; D22-S25 VanDerWaalsContact O-N 3.13Å
23W84.9Confident71Confident84 Ų8467.5 Ų67.532%0.31838%0.381SS..G310 helixtrans-65.2-32.8-176.771.7-108000114.1N21 P102 P103 I104 D108 I110N21-W23 PolarHBondContact ND2-NE1 2.99Å; N21-W23 PolarHBondContact O-N 3.22Å; N21-W23 PolarHBondContact OD1-NE1 2.82Å; W23-P102 HydrophobicContact CZ3-CB 3.91Å; W23-P102 HydrophobicContact CZ3-CG 4.19Å; W23-P103 WeakPolarHBondContact CH2-O 3.45Å; W23-I104 HydrophobicContact CH2-CB 4.26Å; W23-I104 HydrophobicContact CH2-CG1 3.58Å; W23-I104 HydrophobicContact CZ2-CG1 4.32Å; W23-I104 HydrophobicContact CZ3-CG1 4.44Å; W23-D108 HydrophobicContact CZ2-CB 4.01Å; W23-D108 WeakPolarHBondContact CZ2-OD1 3.47Å; W23-D108 PolarHBondContact NE1-OD1 2.89Å; W23-I110 HydrophobicContact CZ2-CD1 3.99Å
24L87.8Confident72Confident0 Ų064.8 Ų64.80%037%0.369CS..G310 helixtrans-87-15.8176.9-175.959.9000112.3D22 W36 I104 I110 L113 L200D22-L24 PolarHBondContact O-N 3.32Å; L24-W36 HydrophobicContact CD1-CZ2 3.84Å; L24-W36 PolarHBondContact O-NE1 3.49Å; L24-I104 HydrophobicContact CD1-CD1 4.43Å; L24-I104 HydrophobicContact CD2-CD1 3.73Å; L24-I104 HydrophobicContact CD2-CG1 4.12Å; L24-I110 HydrophobicContact CB-CD1 4.28Å; L24-I110 HydrophobicContact CD2-CD1 3.58Å; L24-L113 HydrophobicContact CD2-CD1 4.3Å; L24-L200 HydrophobicContact CD2-CD1 4.3Å
25S88.8Confident73.5Confident26 Ų2667.2 Ų67.218%0.18237%0.37CS..  trans-83.7139.6-172-58.10000110.9N21 D22 I220 S222N21-S25 PolarHBondContact O-OG 3.27Å; D22-S25 PolarHBondContact O-N 3Å; D22-S25 VanDerWaalsContact O-N 3.13Å; S25-I220 CarbonylContact C-O 3.58Å; S25-I220 WeakPolarHBondContact CA-O 3.37Å; S25-I220 WeakPolarHBondContact CB-O 3.25Å; S25-S222 PolarHBondContact OG-N 3.16Å
26C90.5Very high75.1Confident4 Ų462.3 Ų62.33%0.02734%0.34CS..BIsolated β-bridgetrans-147.5128-175.6-163.60000113.3F28 S33 C34 I220C26-F28 HydrophobicContact CB-CE1 4.29Å; C26-F28 HydrophobicContact CB-CZ 4.24Å; C26-F28 WeakPolarHBondContact SG-CD1 3.38Å; C26-F28 WeakPolarHBondContact SG-CE1 3.44Å; C26-S33 VanDerWaalsContact SG-C 3.6Å; C26-C34 WeakPolarHBondContact CA-SG 3.34Å; C26-C34 HydrophobicContact CB-CB 3.47Å; C26-C34 VanDerWaalsContact CB-CB 3.47Å; C26-C34 WeakPolarHBondContact CB-SG 3.34Å; C26-C34 WeakPolarHBondContact SG-CB 3.45Å; C26-C34 CovalentContact SG-SG 2.04Å; C26-C34 PolarHBondContact SG-SG 3Å; C26-I220 HydrophobicContact CB-CB 4.46Å; C26-I220 PolarHBondContact N-O 3Å; C26-I220 PolarHBondContact O-N 3.24Å
27N87Confident76.9Confident65 Ų6561 Ų6135%0.34834%0.339SS..  trans-111.22.4175.875.4-9.6000113.6E29N27-E29 WeakPolarHBondContact ND2-CG 3.36Å; N27-E29 PolarHBondContact ND2-OE2 3.2Å; N27-E29 PolarHBondContact O-N 2.98Å; N27-E29 PolarHBondContact OD1-N 3.33Å
28F85.4Confident79Confident0 Ų061.6 Ų61.60%033%0.332CS..  trans55.54.9179.7-49.6-73.9000117C26 S30 S31 I66 L68 I220C26-F28 HydrophobicContact CB-CE1 4.29Å; C26-F28 HydrophobicContact CB-CZ 4.24Å; C26-F28 WeakPolarHBondContact SG-CD1 3.38Å; C26-F28 WeakPolarHBondContact SG-CE1 3.44Å; F28-S30 PolarHBondContact O-N 3.43Å; F28-S30 VanDerWaalsContact O-N 3.16Å; F28-S31 PolarHBondContact O-N 3.08Å; F28-I66 HydrophobicContact CB-CG2 4.34Å; F28-I66 WeakPolarHBondContact O-CB 3.39Å; F28-I66 VanDerWaalsContact O-CG2 3.31Å; F28-I66 WeakPolarHBondContact O-CG2 3.42Å; F28-L68 HydrophobicContact CD1-CB 3.98Å; F28-L68 HydrophobicContact CD1-CD1 4.15Å; F28-L68 HydrophobicContact CD2-CB 3.93Å; F28-L68 HydrophobicContact CE1-CB 3.75Å; F28-L68 HydrophobicContact CE1-CD1 3.95Å; F28-L68 HydrophobicContact CE1-CD2 3.86Å; F28-L68 HydrophobicContact CE1-CG 4.05Å; F28-L68 HydrophobicContact CE2-CB 3.69Å; F28-L68 HydrophobicContact CG-CB 4.07Å; F28-L68 HydrophobicContact CZ-CB 3.6Å; F28-L68 HydrophobicContact CZ-CD2 3.77Å; F28-L68 HydrophobicContact CZ-CG 4.16Å; F28-I220 HydrophobicContact CE2-CD1 4.32Å; F28-I220 HydrophobicContact CE2-CG1 4.41Å; F28-I220 HydrophobicContact CZ-CD1 3.85Å; F28-I220 HydrophobicContact CZ-CG1 4.41Å
29E78.8Confident80.6Confident108 Ų10859.5 Ų59.551%0.50532%0.321SS..THydrogen-bonded Turntrans-62.5-26.4-174.8-74.2-170.3138.700113.3N27 S31N27-E29 WeakPolarHBondContact ND2-CG 3.36Å; N27-E29 PolarHBondContact ND2-OE2 3.2Å; N27-E29 PolarHBondContact O-N 2.98Å; N27-E29 PolarHBondContact OD1-N 3.33Å; E29-S31 PolarHBondContact O-N 3.25Å
30S72.8Confident81.8Confident66 Ų6659.8 Ų59.846%0.46233%0.333SS..THydrogen-bonded Turntrans-76-0.4175.358.50000114.3F28 H32F28-S30 PolarHBondContact O-N 3.43Å; F28-S30 VanDerWaalsContact O-N 3.16Å; S30-H32 PolarHBondContact O-N 3.35Å; S30-H32 PolarHBondContact OG-N 2.87Å
31S66.1Low82.8Confident63 Ų6363.3 Ų63.344%0.44135%0.35SS..SBendtrans60.313.1-166.276.40000115F28 E29F28-S31 PolarHBondContact O-N 3.08Å; E29-S31 PolarHBondContact O-N 3.25Å
32H76.9Confident83.7Confident128 Ų12862.7 Ų62.759%0.59335%0.347SS*.SBendtrans-111.7155.7174.5-58.8-16.3000110.2S30 C34S30-H32 PolarHBondContact O-N 3.35Å; S30-H32 PolarHBondContact OG-N 2.87Å; H32-C34 VanDerWaalsContact C-N 3.29Å; H32-C34 PolarHBondContact O-N 2.94Å
33S80.9Confident83.8Confident39 Ų3966.4 Ų66.427%0.27335%0.352SS..  trans-86.914.3-175.150.90000114.5C26 E35 W36C26-S33 VanDerWaalsContact SG-C 3.6Å; S33-E35 PolarHBondContact O-N 2.87Å; S33-W36 WeakPolarHBondContact CB-O 3.44Å; S33-W36 VanDerWaalsContact O-CB 3.23Å; S33-W36 WeakPolarHBondContact O-CB 3.3Å; S33-W36 PolarHBondContact O-N 3.44Å; S33-W36 PolarHBondContact OG-O 2.82Å
34C82.4Confident83.7Confident36 Ų3665.4 Ų65.424%0.24335%0.353CS..THydrogen-bonded Turntrans47.656.4-178.8-36.60000112.8C26 H32 W36C26-C34 WeakPolarHBondContact CA-SG 3.34Å; C26-C34 HydrophobicContact CB-CB 3.47Å; C26-C34 VanDerWaalsContact CB-CB 3.47Å; C26-C34 WeakPolarHBondContact CB-SG 3.34Å; C26-C34 WeakPolarHBondContact SG-CB 3.45Å; C26-C34 CovalentContact SG-SG 2.04Å; C26-C34 PolarHBondContact SG-SG 3Å; H32-C34 VanDerWaalsContact C-N 3.29Å; H32-C34 PolarHBondContact O-N 2.94Å; C34-W36 PolarHBondContact O-N 3.35Å
35E88.6Confident83.6Confident144 Ų14465.5 Ų65.567%0.67335%0.354SS*.THydrogen-bonded Turntrans62-1.6-174.8-53.8-168.417400117.1S33 I37 P102S33-E35 PolarHBondContact O-N 2.87Å; E35-I37 VanDerWaalsContact O-CG1 3.27Å; E35-I37 WeakPolarHBondContact O-CG1 3.48Å; E35-P102 HydrophobicContact CB-CG 3.55Å
36W91.3Very high83.6Confident2 Ų265.8 Ų65.81%0.00835%0.353CS..  trans-69.1133.2167.5-67.470.3000110.3L24 S33 C34 I99 I100 L200 L202 I220L24-W36 HydrophobicContact CD1-CZ2 3.84Å; L24-W36 PolarHBondContact O-NE1 3.49Å; S33-W36 WeakPolarHBondContact CB-O 3.44Å; S33-W36 VanDerWaalsContact O-CB 3.23Å; S33-W36 WeakPolarHBondContact O-CB 3.3Å; S33-W36 PolarHBondContact O-N 3.44Å; S33-W36 PolarHBondContact OG-O 2.82Å; C34-W36 PolarHBondContact O-N 3.35Å; W36-I99 HydrophobicContact CB-CD1 3.59Å; W36-I99 HydrophobicContact CB-CG1 3.87Å; W36-I99 HydrophobicContact CE3-CG2 4.29Å; W36-I100 CarbonylContact C-O 3.52Å; W36-I100 VanDerWaalsContact CA-O 3.3Å; W36-I100 WeakPolarHBondContact CA-O 3.27Å; W36-L200 HydrophobicContact CH2-CB 4.12Å; W36-L200 HydrophobicContact CZ3-CB 4.49Å; W36-L202 HydrophobicContact CH2-CD1 4.22Å; W36-L202 HydrophobicContact CZ3-CD1 3.94Å; W36-L202 HydrophobicContact CZ3-CG 4.13Å; W36-I220 HydrophobicContact CH2-CD1 4.48Å; W36-I220 HydrophobicContact CZ2-CD1 4.11Å; W36-I220 HydrophobicContact CZ2-CG2 3.94Å
37I91.3Very high83.6Confident121 Ų12165.9 Ų65.962%0.62135%0.353SS*.EExtended strand (participates in β ladder)trans-118.4131.2-170-44-176000110.6E35 I99 I100E35-I37 VanDerWaalsContact O-CG1 3.27Å; E35-I37 WeakPolarHBondContact O-CG1 3.48Å; I37-I99 CarbonylContact O-C 3.56Å; I37-I99 WeakPolarHBondContact O-CA 3.32Å; I37-I99 WeakPolarHBondContact O-CG1 3.44Å; I37-I100 PolarHBondContact N-O 2.97Å; I37-I100 PolarHBondContact O-N 3.3Å
38D89.5Confident83.7Confident55 Ų5567.1 Ų67.129%0.29435%0.353SS..EExtended strand (participates in β ladder)trans-57.6137.3170.4-93.8-42.6000110.6A40 N46 W47D38-A40 PolarHBondContact O-N 3.4Å; D38-N46 WeakPolarHBondContact OD2-CB 3.31Å; D38-N46 PolarHBondContact OD2-ND2 3.15Å; D38-W47 PolarHBondContact OD1-N 3.47Å
39D88.9Confident83.9Confident11 Ų1169.8 Ų69.86%0.05937%0.37CS..  trans-68.3113.6173.1-172-22.1000109.4N41 N42 R98 I100D39-N41 PolarHBondContact O-N 3.03Å; D39-N41 WeakPolarHBondContact OD1-CB 3.05Å; D39-N41 PolarHBondContact OD1-N 3.42Å; D39-N41 VanDerWaalsContact OD1-N 3.14Å; D39-N41 PolarHBondContact OD1-ND2 3.03Å; D39-N42 WeakPolarHBondContact CB-OD1 3.32Å; D39-N42 WeakPolarHBondContact O-CB 3.15Å; D39-N42 PolarHBondContact O-N 3.22Å; D39-R98 HydrophobicContact CB-CB 3.58Å; D39-R98 PolarHBondContact N-O 3.24Å; D39-R98 WeakPolarHBondContact OD2-CD 3.41Å; D39-R98 IonicContact OD2-NH1 2.73Å; D39-I100 HydrophobicContact CB-CD1 4Å; D39-I100 HydrophobicContact CB-CG1 4.37Å
40A85.1Confident84.3Confident98 Ų9865.9 Ų65.981%0.8135%0.353SS*.THydrogen-bonded Turntrans-58.8-16.4-176.100000114.1D38 N42D38-A40 PolarHBondContact O-N 3.4Å; A40-N42 VanDerWaalsContact C-N 3.28Å; A40-N42 PolarHBondContact O-N 3.28Å
41N83.6Confident84.8Confident130 Ų13066.1 Ų66.170%0.69536%0.355SS*.THydrogen-bonded Turntrans-74.4-16.4174.6-60.8-80.6000113D39 W43D39-N41 PolarHBondContact O-N 3.03Å; D39-N41 WeakPolarHBondContact OD1-CB 3.05Å; D39-N41 PolarHBondContact OD1-N 3.42Å; D39-N41 VanDerWaalsContact OD1-N 3.14Å; D39-N41 PolarHBondContact OD1-ND2 3.03Å; N41-W43 VanDerWaalsContact C-N 3.33Å; N41-W43 PolarHBondContact O-N 3.25Å
42N82.4Confident85.4Confident25 Ų2564.8 Ų64.813%0.13434%0.343CS..  trans-93.148.8-171.9-66.372.1000112.8D39 A40 L44 A45 V96D39-N42 WeakPolarHBondContact CB-OD1 3.32Å; D39-N42 WeakPolarHBondContact O-CB 3.15Å; D39-N42 PolarHBondContact O-N 3.22Å; A40-N42 VanDerWaalsContact C-N 3.28Å; A40-N42 PolarHBondContact O-N 3.28Å; N42-L44 PolarHBondContact O-N 3.31Å; N42-A45 CarbonylContact O-C 3.31Å; N42-A45 PolarHBondContact O-N 3.09Å; N42-V96 VanDerWaalsContact ND2-C 3.34Å; N42-V96 PolarHBondContact ND2-O 3.49Å
43W75.9Confident85Confident190 Ų19060.8 Ų60.872%0.7233%0.332SS*.THydrogen-bonded Turntrans-60.1-17.1-17461.8-86.9000116.5N41N41-W43 VanDerWaalsContact C-N 3.33Å; N41-W43 PolarHBondContact O-N 3.25Å
44L82.9Confident84.1Confident62 Ų6261.9 Ų61.933%0.32534%0.34SS..THydrogen-bonded Turntrans-77.4-39.1-178.9-71.7168.8000113.2N42 N73 T76N42-L44 PolarHBondContact O-N 3.31Å; L44-N73 PolarHBondContact O-N 3.3Å; L44-T76 HydrophobicContact CB-CG2 4.37Å; L44-T76 HydrophobicContact CD2-CG2 3.68Å; L44-T76 PolarHBondContact O-OG1 3.43Å
45A85.6Confident82.7Confident2 Ų270.1 Ų70.12%0.01737%0.371CS..EExtended strand (participates in β ladder)trans-156.3138.1-173.300000109.3N42 Q71 F72 V97 I206N42-A45 CarbonylContact O-C 3.31Å; N42-A45 PolarHBondContact O-N 3.09Å; A45-Q71 CarbonylContact C-O 3.6Å; A45-Q71 VanDerWaalsContact CA-O 3.28Å; A45-Q71 WeakPolarHBondContact CA-O 3.34Å; A45-F72 HydrophobicContact CB-CB 4.49Å; A45-F72 HydrophobicContact CB-CD1 3.78Å; A45-F72 HydrophobicContact CB-CE1 4.16Å; A45-F72 HydrophobicContact CB-CG 4.11Å; A45-V97 HydrophobicContact CB-CG2 3.59Å; A45-V97 WeakPolarHBondContact O-CG1 3.48Å; A45-I206 HydrophobicContact CB-CD1 4.04Å
46N89.7Confident80.7Confident33 Ų3365.6 Ų65.618%0.17636%0.364CS..EExtended strand (participates in β ladder)trans-133.6166.7-172.385.4-75.3000111.1D38 R48 Q71D38-N46 WeakPolarHBondContact OD2-CB 3.31Å; D38-N46 PolarHBondContact OD2-ND2 3.15Å; N46-R48 PolarHBondContact OD1-NE 2.88Å; N46-R48 PolarHBondContact OD1-NH2 2.97Å; N46-Q71 PolarHBondContact N-O 3.06Å; N46-Q71 PolarHBondContact O-N 2.64Å
47W91.1Very high78.3Confident5 Ų572.7 Ų72.72%0.01940%0.402CS..EExtended strand (participates in β ladder)trans-82.3136.5173.9-70.493.6000110.5D38 L68 T70 V97 I99 L133 L202 I215 V217D38-W47 PolarHBondContact OD1-N 3.47Å; W47-L68 HydrophobicContact CB-CD1 4.04Å; W47-L68 HydrophobicContact CB-CD2 3.94Å; W47-L68 HydrophobicContact CB-CG 3.93Å; W47-L68 HydrophobicContact CD2-CD2 4.04Å; W47-L68 HydrophobicContact CD2-CG 4.39Å; W47-L68 HydrophobicContact CE3-CD2 3.83Å; W47-L68 HydrophobicContact CE3-CG 3.88Å; W47-L68 HydrophobicContact CG-CD2 4.15Å; W47-L68 HydrophobicContact CG-CG 4.47Å; W47-T70 HydrophobicContact CD2-CG2 3.79Å; W47-T70 HydrophobicContact CE3-CG2 3.72Å; W47-T70 HydrophobicContact CH2-CG2 3.69Å; W47-T70 HydrophobicContact CZ2-CG2 3.74Å; W47-T70 HydrophobicContact CZ3-CG2 3.68Å; W47-V97 HydrophobicContact CG-CG1 4.16Å; W47-I99 HydrophobicContact CB-CB 4.42Å; W47-I99 HydrophobicContact CB-CD1 4.41Å; W47-I99 VanDerWaalsContact CD1-CB 3.46Å; W47-I99 HydrophobicContact CD2-CG2 4.26Å; W47-I99 HydrophobicContact CG-CB 4Å; W47-I99 HydrophobicContact CG-CG2 4.04Å; W47-L133 HydrophobicContact CH2-CD1 3.91Å; W47-L133 HydrophobicContact CZ2-CD1 4.04Å; W47-L202 HydrophobicContact CZ2-CB 4.46Å; W47-L202 PolarHBondContact NE1-O 3.42Å; W47-I215 HydrophobicContact CH2-CB 4.34Å; W47-I215 HydrophobicContact CH2-CG2 4.2Å; W47-I215 WeakPolarHBondContact CZ3-O 3.44Å; W47-V217 HydrophobicContact CH2-CG2 3.72Å; W47-V217 HydrophobicContact CZ3-CB 4.24Å; W47-V217 HydrophobicContact CZ3-CG2 3.8Å
48R88.5Confident76.1Confident92 Ų9278 Ų7835%0.34742%0.416SS..EExtended strand (participates in β ladder)trans-137.2128.8-176.9-69.5-174.6179.1-124.2-12.8112.6N46 T50 C69 Q71N46-R48 PolarHBondContact OD1-NE 2.88Å; N46-R48 PolarHBondContact OD1-NH2 2.97Å; R48-T50 PolarHBondContact O-N 3.26Å; R48-T50 VanDerWaalsContact O-N 3.11Å; R48-T50 PolarHBondContact O-OG1 2.89Å; R48-C69 PolarHBondContact N-O 3.17Å; R48-C69 PolarHBondContact O-N 3.36Å; R48-Q71 VanDerWaalsContact CD-OE1 3.23Å
49P88.7Confident74.1Confident55 Ų5579.5 Ų79.536%0.35743%0.431SS..EExtended strand (participates in β ladder)trans-52.6117.9164-2534.8000109.8I66 L68P49-I66 HydrophobicContact CB-CG2 3.63Å; P49-L68 HydrophobicContact CG-CD1 4.27Å
50T87.1Confident72.5Confident26 Ų2686 Ų8616%0.1647%0.471CS..EExtended strand (participates in β ladder)trans-126.2126.7-173.1-62.20000108R48 L52 V67R48-T50 PolarHBondContact O-N 3.26Å; R48-T50 VanDerWaalsContact O-N 3.11Å; R48-T50 PolarHBondContact O-OG1 2.89Å; T50-L52 PolarHBondContact O-N 3.27Å; T50-V67 PolarHBondContact N-O 3.35Å; T50-V67 PolarHBondContact O-N 2.86Å
51S84.6Confident71.1Confident71 Ų7190 Ų9050%0.49747%0.47SS..EExtended strand (participates in β ladder)trans-71.7111.5172.4178.80000109.6H64S51-H64 WeakPolarHBondContact OG-CB 3.34Å; S51-H64 PolarHBondContact OG-ND1 3.04Å
52L78.2Confident69.9Low35 Ų3590.4 Ų90.418%0.18347%0.467CS..EExtended strand (participates in β ladder)trans-101.5123.3172.8-177.267.1000108.6T50 S54 H64 Q65 V67 W180T50-L52 PolarHBondContact O-N 3.27Å; L52-S54 PolarHBondContact O-N 3.47Å; L52-H64 WeakPolarHBondContact O-CA 3.42Å; L52-Q65 PolarHBondContact N-O 3.17Å; L52-Q65 PolarHBondContact O-N 3.48Å; L52-V67 HydrophobicContact CB-CG2 3.87Å; L52-V67 HydrophobicContact CD2-CG2 4.28Å; L52-W180 HydrophobicContact CD2-CZ2 3.88Å
53A68.9Low68.9Low44 Ų4495.6 Ų95.636%0.36449%0.489SS..EExtended strand (participates in β ladder)trans-70.4110170.900000108.9K55A53-K55 PolarHBondContact O-N 3.43Å
54S61.2Low68.7Low62 Ų6291.5 Ų91.543%0.43448%0.477SS..EExtended strand (participates in β ladder)trans-71.6113.4173-171.40000108.9L52 G56 K63L52-S54 PolarHBondContact O-N 3.47Å; S54-G56 PolarHBondContact O-N 2.93Å; S54-K63 WeakPolarHBondContact CB-O 3.26Å; S54-K63 PolarHBondContact N-O 2.85Å; S54-K63 VanDerWaalsContact N-O 3.09Å
55K53.7Low68.7Low209 Ų20991 Ų9191%0.90947%0.473SS*.  trans-76.361.5-179.8-165.5-171.4178-1740111A53A53-K55 PolarHBondContact O-N 3.43Å
56G46.2Very low68.8Low50 Ų5093 Ų9352%0.51548%0.483SS..  trans-67.5152.5173.300000112S54 Y58S54-G56 PolarHBondContact O-N 2.93Å; G56-Y58 PolarHBondContact O-N 3.28Å; G56-Y58 VanDerWaalsContact O-N 3.1Å
57D40.9Very low68.8Low151 Ų15191.5 Ų91.581%0.80748%0.475SS*.THydrogen-bonded Turntrans-57.8112.8-174.6-70.1-65.3000113.3S59D57-S59 PolarHBondContact O-N 2.97Å
58Y44.9Very low68.8Low232 Ų23291.4 Ų91.491%0.9148%0.475SS*.THydrogen-bonded Turntrans46.330.8160.3-72.5-88.9000116.9G56G56-Y58 PolarHBondContact O-N 3.28Å; G56-Y58 VanDerWaalsContact O-N 3.1Å
59S48.8Very low69Low87 Ų8787 Ų8761%0.60846%0.459SS*.  trans-96.1132.2177.2-176.20000111.2D57 K61D57-S59 PolarHBondContact O-N 2.97Å; S59-K61 PolarHBondContact O-N 3.45Å
60V54.7Low69.1Low148 Ų14884.4 Ų84.490%0.89744%0.442SS*.SBendtrans-76.422.8-172.9-169.70000112.9
61K55.4Low69.1Low182 Ų18285.7 Ų85.779%0.79145%0.446SS*.SBendtrans-144.8110.1171.2-66.4-171.5179.2-175.50108.8S59 K63S59-K61 PolarHBondContact O-N 3.45Å; K61-K63 PolarHBondContact O-N 2.94Å; K61-K63 VanDerWaalsContact O-N 3.16Å
62E58Low69.2Low137 Ų13782.9 Ų82.964%0.6443%0.425SS*.  trans-62.5115.1171.6-63.6-170.8164.300109.1H64E62-H64 PolarHBondContact O-N 3.43Å
63K62.5Low69.5Low135 Ų13583.6 Ų83.659%0.58743%0.429SS*.EExtended strand (participates in β ladder)trans-7796.6169.9-166.3-167.5176.8-162.60107.6S54 K61 Q65S54-K63 WeakPolarHBondContact CB-O 3.26Å; S54-K63 PolarHBondContact N-O 2.85Å; S54-K63 VanDerWaalsContact N-O 3.09Å; K61-K63 PolarHBondContact O-N 2.94Å; K61-K63 VanDerWaalsContact O-N 3.16Å; K63-Q65 PolarHBondContact O-N 3.39Å
64H72.2Confident70Confident103 Ų10385.5 Ų85.548%0.47744%0.437SS..EExtended strand (participates in β ladder)trans-60.8125.9163.2-69.1-76.5000109.5S51 L52 E62S51-H64 WeakPolarHBondContact OG-CB 3.34Å; S51-H64 PolarHBondContact OG-ND1 3.04Å; L52-H64 WeakPolarHBondContact O-CA 3.42Å; E62-H64 PolarHBondContact O-N 3.43Å
65Q82Confident70.9Confident51 Ų5191.7 Ų91.724%0.23845%0.451CS..EExtended strand (participates in β ladder)trans-112.2133.7168.4-171.7179.6-1.500107.8L52 K63 V67 D218L52-Q65 PolarHBondContact N-O 3.17Å; L52-Q65 PolarHBondContact O-N 3.48Å; K63-Q65 PolarHBondContact O-N 3.39Å; Q65-V67 HydrophobicContact CB-CG1 4.47Å; Q65-V67 HydrophobicContact CG-CG1 3.95Å; Q65-D218 PolarHBondContact NE2-OD1 2.89Å; Q65-D218 PolarHBondContact NE2-OD2 2.93Å
66I87Confident72Confident46 Ų4682.7 Ų82.724%0.23641%0.414CS..EExtended strand (participates in β ladder)trans-83.6123172.9-55.7-177.2000107.2F28 P49F28-I66 HydrophobicContact CB-CG2 4.34Å; F28-I66 WeakPolarHBondContact O-CB 3.39Å; F28-I66 VanDerWaalsContact O-CG2 3.31Å; F28-I66 WeakPolarHBondContact O-CG2 3.42Å; P49-I66 HydrophobicContact CB-CG2 3.63Å
67V89.7Confident73.4Confident0 Ų081.4 Ų81.40%039%0.394CS..EExtended strand (participates in β ladder)trans-132.7151.9179.7-61.30000109.9T50 L52 Q65 C69 W180 C216 D218T50-V67 PolarHBondContact N-O 3.35Å; T50-V67 PolarHBondContact O-N 2.86Å; L52-V67 HydrophobicContact CB-CG2 3.87Å; L52-V67 HydrophobicContact CD2-CG2 4.28Å; Q65-V67 HydrophobicContact CB-CG1 4.47Å; Q65-V67 HydrophobicContact CG-CG1 3.95Å; V67-C69 PolarHBondContact O-N 3Å; V67-W180 HydrophobicContact CB-CH2 4.08Å; V67-W180 HydrophobicContact CB-CZ2 4.41Å; V67-W180 HydrophobicContact CG1-CH2 4.01Å; V67-W180 HydrophobicContact CG1-CZ2 4Å; V67-W180 HydrophobicContact CG2-CH2 4.29Å; V67-W180 HydrophobicContact CG2-CZ2 4.37Å; V67-C216 HydrophobicContact CG2-CB 4.44Å; V67-D218 HydrophobicContact CB-CB 4.24Å; V67-D218 HydrophobicContact CG1-CB 3.81Å
68L92Very high75Confident3 Ų377.1 Ų77.12%0.01638%0.376CS..EExtended strand (participates in β ladder)trans-86.6108.9-174.7-169.980.5000110.5F28 W47 P49 I99 C216 V217F28-L68 HydrophobicContact CD1-CB 3.98Å; F28-L68 HydrophobicContact CD1-CD1 4.15Å; F28-L68 HydrophobicContact CD2-CB 3.93Å; F28-L68 HydrophobicContact CE1-CB 3.75Å; F28-L68 HydrophobicContact CE1-CD1 3.95Å; F28-L68 HydrophobicContact CE1-CD2 3.86Å; F28-L68 HydrophobicContact CE1-CG 4.05Å; F28-L68 HydrophobicContact CE2-CB 3.69Å; F28-L68 HydrophobicContact CG-CB 4.07Å; F28-L68 HydrophobicContact CZ-CB 3.6Å; F28-L68 HydrophobicContact CZ-CD2 3.77Å; F28-L68 HydrophobicContact CZ-CG 4.16Å; W47-L68 HydrophobicContact CB-CD1 4.04Å; W47-L68 HydrophobicContact CB-CD2 3.94Å; W47-L68 HydrophobicContact CB-CG 3.93Å; W47-L68 HydrophobicContact CD2-CD2 4.04Å; W47-L68 HydrophobicContact CD2-CG 4.39Å; W47-L68 HydrophobicContact CE3-CD2 3.83Å; W47-L68 HydrophobicContact CE3-CG 3.88Å; W47-L68 HydrophobicContact CG-CD2 4.15Å; W47-L68 HydrophobicContact CG-CG 4.47Å; P49-L68 HydrophobicContact CG-CD1 4.27Å; L68-I99 HydrophobicContact CD1-CD1 4.49Å; L68-I99 HydrophobicContact CD2-CD1 3.69Å; L68-I99 HydrophobicContact CD2-CG2 4.17Å; L68-C216 CarbonylContact O-C 3.57Å; L68-C216 WeakPolarHBondContact O-CA 3.27Å; L68-V217 PolarHBondContact N-O 3.41Å; L68-V217 PolarHBondContact O-N 3.34Å
69C92Very high76.3Confident1 Ų174.5 Ų74.51%0.00736%0.364CS..EExtended strand (participates in β ladder)trans-115.1142.9-178.9-58.10000113R48 V67 I215 C216R48-C69 PolarHBondContact N-O 3.17Å; R48-C69 PolarHBondContact O-N 3.36Å; V67-C69 PolarHBondContact O-N 3Å; C69-I215 CarbonylContact C-O 3.51Å; C69-I215 VanDerWaalsContact CA-O 3.26Å; C69-I215 WeakPolarHBondContact CA-O 3.23Å; C69-C216 HydrophobicContact CB-CB 4.14Å; C69-C216 WeakPolarHBondContact CB-SG 3.36Å; C69-C216 WeakPolarHBondContact SG-CB 3.36Å; C69-C216 CovalentContact SG-SG 2.05Å; C69-C216 PolarHBondContact SG-SG 2.82Å
70T91.6Very high77.3Confident0 Ų073.9 Ų73.90%035%0.354CS..EExtended strand (participates in β ladder)trans-66.1132.6170.461.40000110.8W47 V97 I215W47-T70 HydrophobicContact CD2-CG2 3.79Å; W47-T70 HydrophobicContact CE3-CG2 3.72Å; W47-T70 HydrophobicContact CH2-CG2 3.69Å; W47-T70 HydrophobicContact CZ2-CG2 3.74Å; W47-T70 HydrophobicContact CZ3-CG2 3.68Å; T70-V97 HydrophobicContact CG2-CB 4.24Å; T70-V97 HydrophobicContact CG2-CG1 4.33Å; T70-I215 HydrophobicContact CG2-CB 4.08Å; T70-I215 PolarHBondContact N-O 2.73Å; T70-I215 PolarHBondContact OG1-N 3.44Å
71Q87.3Confident78Confident53 Ų5373.2 Ų73.225%0.24834%0.335CS..EExtended strand (participates in β ladder)trans-140.8133176.1-160.6-177.947.200112.1A45 N46 R48A45-Q71 CarbonylContact C-O 3.6Å; A45-Q71 VanDerWaalsContact CA-O 3.28Å; A45-Q71 WeakPolarHBondContact CA-O 3.34Å; N46-Q71 PolarHBondContact N-O 3.06Å; N46-Q71 PolarHBondContact O-N 2.64Å; R48-Q71 VanDerWaalsContact CD-OE1 3.23Å
72F85.7Confident78.3Confident11 Ų1170 Ų705%0.04833%0.327CS..EExtended strand (participates in β ladder)trans-61.4136.1165.9-81.7-78.1000111.3A45 T76 K77 L80 S95 I206 P211A45-F72 HydrophobicContact CB-CB 4.49Å; A45-F72 HydrophobicContact CB-CD1 3.78Å; A45-F72 HydrophobicContact CB-CE1 4.16Å; A45-F72 HydrophobicContact CB-CG 4.11Å; F72-T76 HydrophobicContact CD1-CG2 3.87Å; F72-T76 HydrophobicContact CE1-CG2 4.38Å; F72-K77 HydrophobicContact CB-CB 4Å; F72-K77 HydrophobicContact CB-CD 4.4Å; F72-L80 HydrophobicContact CD1-CD1 3.8Å; F72-L80 HydrophobicContact CE1-CD1 3.6Å; F72-L80 HydrophobicContact CE2-CD1 4.42Å; F72-L80 HydrophobicContact CG-CD1 4.31Å; F72-L80 HydrophobicContact CZ-CD1 3.94Å; F72-S95 VanDerWaalsContact CE1-OG 3.31Å; F72-S95 WeakPolarHBondContact CE1-OG 3.48Å; F72-S95 WeakPolarHBondContact CZ-OG 3.08Å; F72-I206 HydrophobicContact CD2-CD1 4.06Å; F72-I206 HydrophobicContact CE2-CB 4.13Å; F72-I206 HydrophobicContact CE2-CD1 3.87Å; F72-I206 HydrophobicContact CE2-CG2 3.71Å; F72-I206 HydrophobicContact CZ-CB 4.39Å; F72-I206 HydrophobicContact CZ-CD1 4.36Å; F72-I206 HydrophobicContact CZ-CG2 4.38Å; F72-P211 HydrophobicContact CD2-CB 4.08Å; F72-P211 HydrophobicContact CE2-CB 4.23Å
73N84.2Confident78.4Confident51 Ų5167.5 Ų67.527%0.27332%0.315SS..  trans-54.5134.6171.7-179.3-47000109.6L44 R75 T76 K77L44-N73 PolarHBondContact O-N 3.3Å; N73-R75 PolarHBondContact O-N 3.39Å; N73-R75 VanDerWaalsContact O-N 3.09Å; N73-R75 PolarHBondContact OD1-N 2.88Å; N73-T76 WeakPolarHBondContact O-CA 3.18Å; N73-T76 WeakPolarHBondContact O-CB 3.14Å; N73-T76 PolarHBondContact O-N 3.5Å; N73-K77 PolarHBondContact O-N 2.89Å
74P81Confident78Confident84 Ų8467.7 Ų67.755%0.54532%0.317SS..Hα-helixtrans-50.5-36.7-178.2-30.936.3000114.8K77 S78P74-K77 PolarHBondContact O-N 3.4Å; P74-S78 WeakPolarHBondContact O-CB 3.27Å; P74-S78 PolarHBondContact O-N 3.46Å
75R78.6Confident77Confident192 Ų19266.7 Ų66.773%0.72534%0.335SS*.Hα-helixtrans-64.4-45176-66-179.1175.9177.6-1.1111.5N73 R79N73-R75 PolarHBondContact O-N 3.39Å; N73-R75 VanDerWaalsContact O-N 3.09Å; N73-R75 PolarHBondContact OD1-N 2.88Å; R75-R79 PolarHBondContact O-N 3.16Å
76T77.5Confident75.3Confident19 Ų1971.8 Ų71.812%0.11736%0.359CS..Hα-helixtrans-64.5-46.7175.5-49.30000111.2L44 F72 N73 S78 R79 L80L44-T76 HydrophobicContact CB-CG2 4.37Å; L44-T76 HydrophobicContact CD2-CG2 3.68Å; L44-T76 PolarHBondContact O-OG1 3.43Å; F72-T76 HydrophobicContact CD1-CG2 3.87Å; F72-T76 HydrophobicContact CE1-CG2 4.38Å; N73-T76 WeakPolarHBondContact O-CA 3.18Å; N73-T76 WeakPolarHBondContact O-CB 3.14Å; N73-T76 PolarHBondContact O-N 3.5Å; T76-S78 VanDerWaalsContact C-N 3.34Å; T76-S78 PolarHBondContact O-N 3.25Å; T76-R79 PolarHBondContact O-N 3.32Å; T76-L80 HydrophobicContact CG2-CD1 3.99Å; T76-L80 HydrophobicContact CG2-CG 4.35Å; T76-L80 WeakPolarHBondContact O-CG 3.41Å; T76-L80 PolarHBondContact O-N 2.88Å
77K76.3Confident73.2Confident23 Ų2375.3 Ų75.310%0.137%0.373CS..Hα-helixtrans-63.6-35.9-178.4-172.9159.3-177.7155.60113.2F72 N73 P74 R81 P211 D212F72-K77 HydrophobicContact CB-CB 4Å; F72-K77 HydrophobicContact CB-CD 4.4Å; N73-K77 PolarHBondContact O-N 2.89Å; P74-K77 PolarHBondContact O-N 3.4Å; K77-R81 PolarHBondContact O-N 3.24Å; K77-P211 VanDerWaalsContact CE-O 3.22Å; K77-P211 WeakPolarHBondContact CE-O 3.41Å; K77-P211 HydrophobicContact CG-CB 4.47Å; K77-P211 PolarHBondContact NZ-O 2.79Å; K77-D212 WeakPolarHBondContact CE-OD1 3.49Å; K77-D212 VanDerWaalsContact NZ-CG 3.33Å; K77-D212 IonicContact NZ-OD1 2.66Å; K77-D212 PolarHBondContact NZ-OD1 3.02Å; K77-D212 IonicContact NZ-OD2 3.82Å
78S74.2Confident70.7Confident61 Ų6182 Ų8243%0.42742%0.416SS..Hα-helixtrans-63-50.4172-1790000111.3P74 T76 L80 R81 N82P74-S78 WeakPolarHBondContact O-CB 3.27Å; P74-S78 PolarHBondContact O-N 3.46Å; T76-S78 VanDerWaalsContact C-N 3.34Å; T76-S78 PolarHBondContact O-N 3.25Å; S78-L80 PolarHBondContact O-N 2.88Å; S78-R81 PolarHBondContact O-N 3.48Å; S78-N82 WeakPolarHBondContact O-CB 3.05Å; S78-N82 VanDerWaalsContact O-CG 3.23Å; S78-N82 PolarHBondContact O-N 3.42Å; S78-N82 PolarHBondContact O-OD1 2.87Å
79R72.6Confident68.3Low178 Ų17884.8 Ų84.867%0.67245%0.446SS*.Hα-helixtrans-58.3-45.7176.8-69.8177.3177.9-174.7-1.9112.3R75 T76 R81 N82 H83R75-R79 PolarHBondContact O-N 3.16Å; T76-R79 PolarHBondContact O-N 3.32Å; R79-R81 VanDerWaalsContact C-N 3.34Å; R79-R81 PolarHBondContact O-N 3.46Å; R79-N82 PolarHBondContact O-N 3.44Å; R79-H83 WeakPolarHBondContact O-CB 3.44Å; R79-H83 PolarHBondContact O-CD2 2.93Å; R79-H83 PolarHBondContact O-N 3.14Å; R79-H83 VanDerWaalsContact O-N 3.09Å
80L69.9Low66Low74 Ų7488.7 Ų88.739%0.38747%0.473SS..Hα-helixtrans-62.6-35.7-179.7-72.3174.2000113.3F72 T76 S78 P211F72-L80 HydrophobicContact CD1-CD1 3.8Å; F72-L80 HydrophobicContact CE1-CD1 3.6Å; F72-L80 HydrophobicContact CE2-CD1 4.42Å; F72-L80 HydrophobicContact CG-CD1 4.31Å; F72-L80 HydrophobicContact CZ-CD1 3.94Å; T76-L80 HydrophobicContact CG2-CD1 3.99Å; T76-L80 HydrophobicContact CG2-CG 4.35Å; T76-L80 WeakPolarHBondContact O-CG 3.41Å; T76-L80 PolarHBondContact O-N 2.88Å; S78-L80 PolarHBondContact O-N 2.88Å; L80-P211 HydrophobicContact CB-CB 4.4Å; L80-P211 HydrophobicContact CD1-CB 4.26Å
81R68.4Low63.9Low133 Ų13395.7 Ų95.750%0.50251%0.506SS..Hα-helixtrans-77.7-38175.7-69.9-163.8-72.8-151.211.6112.7K77 S78 R79 H83 H84 P211 D212K77-R81 PolarHBondContact O-N 3.24Å; S78-R81 PolarHBondContact O-N 3.48Å; R79-R81 VanDerWaalsContact C-N 3.34Å; R79-R81 PolarHBondContact O-N 3.46Å; R81-H83 VanDerWaalsContact C-N 3.27Å; R81-H83 PolarHBondContact O-N 2.87Å; R81-H84 WeakPolarHBondContact O-CB 3.21Å; R81-H84 PolarHBondContact O-N 2.91Å; R81-P211 HydrophobicContact CG-CG 4.08Å; R81-D212 IonicContact NH1-OD1 3.42Å; R81-D212 PolarHBondContact NH1-OD1 2.88Å; R81-D212 IonicContact NH1-OD2 2.94Å; R81-D212 PolarHBondContact NH1-OD2 2.91Å
82N62.1Low62.5Low116 Ų116101 Ų10162%0.6253%0.531SS*.Hα-helixtrans-70.5-20.6179.4-66.4-6.5000113.7S78 R79S78-N82 WeakPolarHBondContact O-CB 3.05Å; S78-N82 VanDerWaalsContact O-CG 3.23Å; S78-N82 PolarHBondContact O-N 3.42Å; S78-N82 PolarHBondContact O-OD1 2.87Å; R79-N82 PolarHBondContact O-N 3.44Å
83H59.5Low61.5Low84 Ų84107 Ų10739%0.38956%0.561SS.*THydrogen-bonded Turntrans-103.611.4179.3-65.2-50.8000114.4R79 R81 G85 Q86 F87R79-H83 WeakPolarHBondContact O-CB 3.44Å; R79-H83 PolarHBondContact O-CD2 2.93Å; R79-H83 PolarHBondContact O-N 3.14Å; R79-H83 VanDerWaalsContact O-N 3.09Å; R81-H83 VanDerWaalsContact C-N 3.27Å; R81-H83 PolarHBondContact O-N 2.87Å; H83-G85 VanDerWaalsContact C-N 3.25Å; H83-G85 PolarHBondContact O-N 2.93Å; H83-Q86 PolarHBondContact O-N 3.4Å; H83-F87 HydrophobicContact CB-CD2 3.88Å; H83-F87 HydrophobicContact CB-CE2 4.08Å; H83-F87 AromaticContact CD2-CE2 3.83Å; H83-F87 AromaticContact CE1-CE2 3.9Å; H83-F87 AromaticContact CG-CD2 3.93Å; H83-F87 AromaticContact CG-CE2 3.6Å; H83-F87 AromaticContact ND1-CE2 3.65Å
84H54.4Low61.2Low138 Ų138107.3 Ų107.364%0.63956%0.563SS**THydrogen-bonded Turntrans-72.574.1-175.2-151.172.8000111.9R81 G209R81-H84 WeakPolarHBondContact O-CB 3.21Å; R81-H84 PolarHBondContact O-N 2.91Å; H84-G209 PolarHBondContact CE1-O 3.46Å
85G50.2Low61.3Low82 Ų82104.1 Ų104.185%0.84554%0.543SS*.THydrogen-bonded Turntrans138.10.9179.800000116.2H83H83-G85 VanDerWaalsContact C-N 3.25Å; H83-G85 PolarHBondContact O-N 2.93Å
86Q47.8Very low61.9Low159 Ų15997.5 Ų97.574%0.74352%0.524SS*.THydrogen-bonded Turntrans-1260.4-167.6-126.8174.86.200117.3H83 P88H83-Q86 PolarHBondContact O-N 3.4Å; Q86-P88 WeakPolarHBondContact O-CD 3.48Å
87F42.1Very low62.6Low120 Ų12096.6 Ų96.653%0.52652%0.518SS..  trans-108.897.4170.4-83.3-64.6000111.8H83 G89 S90H83-F87 HydrophobicContact CB-CD2 3.88Å; H83-F87 HydrophobicContact CB-CE2 4.08Å; H83-F87 AromaticContact CD2-CE2 3.83Å; H83-F87 AromaticContact CE1-CE2 3.9Å; H83-F87 AromaticContact CG-CD2 3.93Å; H83-F87 AromaticContact CG-CE2 3.6Å; H83-F87 AromaticContact ND1-CE2 3.65Å; F87-G89 PolarHBondContact O-N 2.91Å; F87-S90 PolarHBondContact O-N 3.45Å; F87-S90 VanDerWaalsContact O-N 3.14Å; F87-S90 PolarHBondContact O-OG 3.31Å
88P38.2Very low63.4Low140 Ų14098.5 Ų98.591%0.90953%0.525SS*.THydrogen-bonded Turntrans-70.674.5163.831.6-34.2000109.1Q86Q86-P88 WeakPolarHBondContact O-CD 3.48Å
89G41.9Very low64.3Low62 Ų6295.7 Ų95.764%0.63951%0.505SS*.THydrogen-bonded Turntrans154.8-10-167.500000114.8F87 Q91F87-G89 PolarHBondContact O-N 2.91Å; G89-Q91 PolarHBondContact O-N 3.46Å
90S43Very low65.3Low82 Ų8288.7 Ų88.757%0.57348%0.48SS*.  trans-7771.1167.6620000110.1F87 E92F87-S90 PolarHBondContact O-N 3.45Å; F87-S90 VanDerWaalsContact O-N 3.14Å; F87-S90 PolarHBondContact O-OG 3.31Å; S90-E92 PolarHBondContact O-N 3.19Å; S90-E92 VanDerWaalsContact O-N 3.17Å
91Q47.9Very low66.5Low148 Ų14885.3 Ų85.369%0.69246%0.463SS*.  trans-57.2117.2171.3-69.7178.9-46.200109.2G89 I93G89-Q91 PolarHBondContact O-N 3.46Å; Q91-I93 WeakPolarHBondContact O-CG1 3.47Å; Q91-I93 PolarHBondContact O-N 2.66Å
92E57.6Low67.5Low165 Ų16579.6 Ų79.677%0.77144%0.443SS*.  40.210119-57.6-177.3136.400120.7S90 N94S90-E92 PolarHBondContact O-N 3.19Å; S90-E92 VanDerWaalsContact O-N 3.17Å; E92-N94 PolarHBondContact O-N 2.85Å; E92-N94 VanDerWaalsContact O-N 3.07Å
93I64.1Low68.8Low135 Ų13577.3 Ų77.369%0.69244%0.435SS*.  trans-76102.8179.9-64.4165.8000108.8Q91 S95Q91-I93 WeakPolarHBondContact O-CG1 3.47Å; Q91-I93 PolarHBondContact O-N 2.66Å; I93-S95 PolarHBondContact O-N 3.49Å
94N78Confident70.2Confident58 Ų5873.3 Ų73.331%0.3142%0.416SS..  trans-58.9132.5170.2-56.6-58.5000109.4E92 V96 S130 T205 I206 P207 A208E92-N94 PolarHBondContact O-N 2.85Å; E92-N94 VanDerWaalsContact O-N 3.07Å; N94-V96 PolarHBondContact O-N 3.43Å; N94-S130 WeakPolarHBondContact ND2-CB 3.49Å; N94-S130 WeakPolarHBondContact OD1-CB 3.46Å; N94-S130 PolarHBondContact OD1-OG 3.35Å; N94-T205 HydrophobicContact CB-CG2 3.64Å; N94-I206 CarbonylContact C-O 3.53Å; N94-I206 WeakPolarHBondContact CA-O 3.47Å; N94-P207 VanDerWaalsContact OD1-CA 3.3Å; N94-P207 WeakPolarHBondContact OD1-CA 3.23Å; N94-A208 PolarHBondContact OD1-N 2.9Å
95S83.8Confident71.6Confident17 Ų1769.3 Ų69.312%0.11940%0.402CS..EExtended strand (participates in β ladder)trans-88.3102.4-177.6-65.30000110.1F72 I93 I206F72-S95 VanDerWaalsContact CE1-OG 3.31Å; F72-S95 WeakPolarHBondContact CE1-OG 3.48Å; F72-S95 WeakPolarHBondContact CZ-OG 3.08Å; I93-S95 PolarHBondContact O-N 3.49Å; S95-I206 PolarHBondContact N-O 3.46Å; S95-I206 PolarHBondContact O-N 3.48Å
96V89.6Confident72.9Confident54 Ų5467.9 Ų67.933%0.32738%0.381SS..EExtended strand (participates in β ladder)trans-71.5141.1172.1-178.10000109.7N42 N94 R98 E203 G204 T205N42-V96 VanDerWaalsContact ND2-C 3.34Å; N42-V96 PolarHBondContact ND2-O 3.49Å; N94-V96 PolarHBondContact O-N 3.43Å; V96-R98 HydrophobicContact CG1-CG 4.37Å; V96-E203 HydrophobicContact CG1-CG 3.45Å; V96-E203 VanDerWaalsContact CG1-CG 3.45Å; V96-G204 CarbonylContact C-O 3.58Å; V96-T205 HydrophobicContact CG2-CG2 4.44Å
97V92.2Very high74.2Confident0 Ų067.9 Ų67.90%039%0.386CS..EExtended strand (participates in β ladder)trans-135.4133179.7-173.50000108.3A45 W47 T70 E203 G204 I206A45-V97 HydrophobicContact CB-CG2 3.59Å; A45-V97 WeakPolarHBondContact O-CG1 3.48Å; W47-V97 HydrophobicContact CG-CG1 4.16Å; T70-V97 HydrophobicContact CG2-CB 4.24Å; T70-V97 HydrophobicContact CG2-CG1 4.33Å; V97-E203 CarbonylContact O-C 3.52Å; V97-E203 WeakPolarHBondContact O-CA 3.11Å; V97-G204 PolarHBondContact N-O 2.94Å; V97-G204 PolarHBondContact O-N 2.92Å; V97-I206 HydrophobicContact CG2-CD1 3.95Å; V97-I206 HydrophobicContact CG2-CG1 4.17Å
98R93.8Very high76.1Confident62 Ų6263.8 Ų63.823%0.23437%0.369CS..EExtended strand (participates in β ladder)trans-131.3138.5-175.1-73.3173.7-176.4149.32.4111.7D39 V96 I201 L202 E203D39-R98 HydrophobicContact CB-CB 3.58Å; D39-R98 PolarHBondContact N-O 3.24Å; D39-R98 WeakPolarHBondContact OD2-CD 3.41Å; D39-R98 IonicContact OD2-NH1 2.73Å; V96-R98 HydrophobicContact CG1-CG 4.37Å; R98-I201 HydrophobicContact CB-CG2 3.89Å; R98-I201 HydrophobicContact CG-CG2 3.84Å; R98-L202 WeakPolarHBondContact CA-O 3.2Å; R98-E203 HydrophobicContact CG-CB 4.06Å; R98-E203 HydrophobicContact CG-CG 3.88Å; R98-E203 IonicContact CZ-OE2 2.72Å; R98-E203 IonicContact NE-OE2 3.9Å; R98-E203 PolarHBondContact NE-OE2 3.3Å; R98-E203 IonicContact NH2-OE2 2.68Å; R98-E203 PolarHBondContact NH2-OE2 3.43Å
99I94Very high78.1Confident3 Ų359.7 Ų59.72%0.01534%0.344CS..EExtended strand (participates in β ladder)trans-124.8138.5164.5-165.4178.7000108.6W36 I37 W47 L68 I201 L202W36-I99 HydrophobicContact CB-CD1 3.59Å; W36-I99 HydrophobicContact CB-CG1 3.87Å; W36-I99 HydrophobicContact CE3-CG2 4.29Å; I37-I99 CarbonylContact O-C 3.56Å; I37-I99 WeakPolarHBondContact O-CA 3.32Å; I37-I99 WeakPolarHBondContact O-CG1 3.44Å; W47-I99 HydrophobicContact CB-CB 4.42Å; W47-I99 HydrophobicContact CB-CD1 4.41Å; W47-I99 VanDerWaalsContact CD1-CB 3.46Å; W47-I99 HydrophobicContact CD2-CG2 4.26Å; W47-I99 HydrophobicContact CG-CB 4Å; W47-I99 HydrophobicContact CG-CG2 4.04Å; L68-I99 HydrophobicContact CD1-CD1 4.49Å; L68-I99 HydrophobicContact CD2-CD1 3.69Å; L68-I99 HydrophobicContact CD2-CG2 4.17Å; I99-I201 WeakPolarHBondContact O-CA 3.37Å; I99-L202 HydrophobicContact CG2-CB 3.82Å; I99-L202 PolarHBondContact N-O 2.77Å; I99-L202 VanDerWaalsContact N-O 3.07Å; I99-L202 PolarHBondContact O-N 3.09Å
100I93.7Very high80.3Confident30 Ų3056.9 Ų56.915%0.15431%0.314CS..EExtended strand (participates in β ladder)trans-117.2134.2-167-51.9179.3000108.8W36 I37 D39 K199 L200 I201W36-I100 CarbonylContact C-O 3.52Å; W36-I100 VanDerWaalsContact CA-O 3.3Å; W36-I100 WeakPolarHBondContact CA-O 3.27Å; I37-I100 PolarHBondContact N-O 2.97Å; I37-I100 PolarHBondContact O-N 3.3Å; D39-I100 HydrophobicContact CB-CD1 4Å; D39-I100 HydrophobicContact CB-CG1 4.37Å; I100-K199 HydrophobicContact CG2-CB 3.91Å; I100-K199 HydrophobicContact CG2-CD 4.2Å; I100-K199 HydrophobicContact CG2-CG 4.45Å; I100-L200 CarbonylContact C-O 3.51Å; I100-L200 WeakPolarHBondContact CA-O 3.38Å; I100-I201 HydrophobicContact CG1-CG1 4.25Å; I100-I201 HydrophobicContact CG1-CG2 4.34Å; I100-I201 HydrophobicContact CG2-CG1 4.3Å
101S93.6Very high82.4Confident4 Ų457.2 Ų57.23%0.02831%0.305CS..PPolyproline II helixtrans-71.6165.4176.376.20000112.5L200S101-L200 PolarHBondContact N-O 3.41Å; S101-L200 PolarHBondContact OG-N 3.37Å
102P90.9Very high84.5Confident13 Ų1350.1 Ų50.18%0.08427%0.272CS..PPolyproline II helixtrans-59.4162.5159.5-1428.5000110.9W23 E35 I104W23-P102 HydrophobicContact CZ3-CB 3.91Å; W23-P102 HydrophobicContact CZ3-CG 4.19Å; E35-P102 HydrophobicContact CB-CG 3.55Å; P102-I104 PolarHBondContact O-N 3.41Å
103P88.8Confident86.2Confident67 Ų6742.3 Ų42.344%0.43524%0.236SC..PPolyproline II helixtrans-64.5130.5178.326.8-32.5000111.5W23 K199W23-P103 WeakPolarHBondContact CH2-O 3.45Å; P103-K199 HydrophobicContact CB-CG 4.46Å
104I88.7Confident87.6Confident1 Ų136.4 Ų36.41%0.00521%0.206CC..BIsolated β-bridgetrans-102.5137.1171.3-55.1155.2000108W23 L24 P102 D108 I110 S197 Y198 L200W23-I104 HydrophobicContact CH2-CB 4.26Å; W23-I104 HydrophobicContact CH2-CG1 3.58Å; W23-I104 HydrophobicContact CZ2-CG1 4.32Å; W23-I104 HydrophobicContact CZ3-CG1 4.44Å; L24-I104 HydrophobicContact CD1-CD1 4.43Å; L24-I104 HydrophobicContact CD2-CD1 3.73Å; L24-I104 HydrophobicContact CD2-CG1 4.12Å; P102-I104 PolarHBondContact O-N 3.41Å; I104-D108 HydrophobicContact CG2-CB 4.25Å; I104-I110 HydrophobicContact CG2-CD1 4.26Å; I104-S197 WeakPolarHBondContact O-CA 3.35Å; I104-Y198 HydrophobicContact CB-CD1 4.42Å; I104-Y198 HydrophobicContact CB-CD2 4.29Å; I104-Y198 HydrophobicContact CB-CE1 4.07Å; I104-Y198 HydrophobicContact CB-CE2 3.92Å; I104-Y198 HydrophobicContact CD1-CD2 4.15Å; I104-Y198 HydrophobicContact CD1-CE2 3.54Å; I104-Y198 HydrophobicContact CG1-CE2 4.35Å; I104-Y198 HydrophobicContact CG2-CE1 3.85Å; I104-Y198 HydrophobicContact CG2-CE2 4.15Å; I104-Y198 WeakPolarHBondContact CG2-OH 3.3Å; I104-Y198 PolarHBondContact N-O 3.11Å; I104-Y198 PolarHBondContact O-N 3.38Å; I104-L200 HydrophobicContact CD1-CD1 3.56Å; I104-L200 HydrophobicContact CD1-CG 3.69Å
105T84.5Confident88.3Confident54 Ų5433.6 Ų33.633%0.33119%0.192SC..  trans-112.6175.4177.8750000111L107 D108T105-L107 PolarHBondContact O-N 2.8Å; T105-L107 PolarHBondContact OG1-N 2.95Å; T105-D108 WeakPolarHBondContact CA-OD2 3.47Å; T105-D108 WeakPolarHBondContact CB-OD2 3.24Å; T105-D108 PolarHBondContact N-OD2 2.88Å; T105-D108 PolarHBondContact OG1-OD2 3.27Å
106A75.8Confident88.7Confident51 Ų5135.2 Ų35.242%0.42120%0.198SC..SBendtrans-69.3-21.1171.600000113.6S194A106-S194 WeakPolarHBondContact CB-O 3.43Å
107L76.2Confident88.8Confident160 Ų16033 Ų3384%0.83818%0.184SC*.THydrogen-bonded Turntrans-71.1-32.7-179-64.1169.7000112.1T105 S109T105-L107 PolarHBondContact O-N 2.8Å; T105-L107 PolarHBondContact OG1-N 2.95Å; L107-S109 PolarHBondContact O-N 3.39Å
108D81.1Confident88.5Confident33 Ų3333.8 Ų33.818%0.17619%0.187CC..THydrogen-bonded Turntrans-65.2-14.5-175.9-59.9-70.8000114N21 W23 I104 T105 I110N21-D108 PolarHBondContact ND2-O 2.94Å; N21-D108 VanDerWaalsContact ND2-O 3.1Å; W23-D108 HydrophobicContact CZ2-CB 4.01Å; W23-D108 WeakPolarHBondContact CZ2-OD1 3.47Å; W23-D108 PolarHBondContact NE1-OD1 2.89Å; I104-D108 HydrophobicContact CG2-CB 4.25Å; T105-D108 WeakPolarHBondContact CA-OD2 3.47Å; T105-D108 WeakPolarHBondContact CB-OD2 3.24Å; T105-D108 PolarHBondContact N-OD2 2.88Å; T105-D108 PolarHBondContact OG1-OD2 3.27Å; D108-I110 HydrophobicContact CB-CD1 4.15Å; D108-I110 HydrophobicContact CB-CG1 3.95Å; D108-I110 WeakPolarHBondContact O-CG1 3.19Å; D108-I110 PolarHBondContact O-N 2.84Å
109S81.7Confident88.1Confident54 Ų5432.6 Ų32.638%0.37818%0.183SC..  trans58.212.7172.678.90000116.7L107 K111 T224L107-S109 PolarHBondContact O-N 3.39Å; S109-K111 WeakPolarHBondContact O-CG 3.33Å; S109-K111 PolarHBondContact O-N 3.3Å; S109-K111 PolarHBondContact O-NZ 2.94Å; S109-T224 WeakPolarHBondContact OG-CG2 3.41Å
110I87.4Confident87.4Confident3 Ų334.1 Ų34.12%0.01519%0.19CC..  trans-66.2128-177.5-47.9-178.6000110.1N21 W23 L24 I104 D108 L187N21-I110 HydrophobicContact CB-CD1 4.37Å; N21-I110 HydrophobicContact CB-CG1 4.29Å; W23-I110 HydrophobicContact CZ2-CD1 3.99Å; L24-I110 HydrophobicContact CB-CD1 4.28Å; L24-I110 HydrophobicContact CD2-CD1 3.58Å; I104-I110 HydrophobicContact CG2-CD1 4.26Å; D108-I110 HydrophobicContact CB-CD1 4.15Å; D108-I110 HydrophobicContact CB-CG1 3.95Å; D108-I110 WeakPolarHBondContact O-CG1 3.19Å; D108-I110 PolarHBondContact O-N 2.84Å; I110-L187 HydrophobicContact CG2-CD1 4Å
111K87.7Confident86.2Confident89 Ų8935.4 Ų35.439%0.38720%0.198SC..  trans-124.4-21.3-176.4-64.6-179.1-158.294.90113.9S109 D186 L187 Y223 T224S109-K111 WeakPolarHBondContact O-CG 3.33Å; S109-K111 PolarHBondContact O-N 3.3Å; S109-K111 PolarHBondContact O-NZ 2.94Å; K111-D186 CarbonylContact O-C 3.57Å; K111-D186 WeakPolarHBondContact O-CA 3.36Å; K111-L187 PolarHBondContact O-N 3.13Å; K111-Y223 PolarHBondContact N-O 2.87Å; K111-T224 VanDerWaalsContact CD-O 3.32Å; K111-T224 WeakPolarHBondContact CD-O 3.5Å; K111-T224 PolarHBondContact NZ-O 2.87Å
112C91.1Very high84.4Confident0 Ų037 Ų370%021%0.209CC..EExtended strand (participates in β ladder)trans-133.4134.8174-174.70000110.7I185 Y223 E225 C227 L230C112-I185 WeakPolarHBondContact CA-O 3.48Å; C112-Y223 HydrophobicContact CB-CD2 4.28Å; C112-Y223 PolarHBondContact N-O 2.93Å; C112-Y223 VanDerWaalsContact N-O 3.15Å; C112-Y223 PolarHBondContact O-N 3.41Å; C112-E225 WeakPolarHBondContact CB-O 3.23Å; C112-E225 PolarHBondContact N-O 3.41Å; C112-C227 HydrophobicContact CB-CB 4.06Å; C112-C227 WeakPolarHBondContact CB-SG 3.35Å; C112-C227 WeakPolarHBondContact SG-CA 3.3Å; C112-C227 WeakPolarHBondContact SG-CB 3.3Å; C112-C227 CovalentContact SG-SG 2.04Å; C112-C227 PolarHBondContact SG-SG 2.86Å; C112-L230 HydrophobicContact CB-CD1 3.81Å; C112-L230 VanDerWaalsContact SG-CD1 3.57Å
113L93.3Very high82.6Confident0 Ų044 Ų440%024%0.24CC..EExtended strand (participates in β ladder)trans-107.5133.8164.5-16980.5000108.9L24 F115 L135 K184 I185 L187 L200 I220L24-L113 HydrophobicContact CD2-CD1 4.3Å; L113-F115 HydrophobicContact CD2-CD1 4.05Å; L113-F115 HydrophobicContact CD2-CE1 4.37Å; L113-L135 HydrophobicContact CD2-CD1 4.07Å; L113-L135 HydrophobicContact CD2-CD2 3.78Å; L113-K184 CarbonylContact O-C 3.59Å; L113-K184 WeakPolarHBondContact O-CA 3.44Å; L113-I185 PolarHBondContact N-O 2.96Å; L113-I185 PolarHBondContact O-N 2.85Å; L113-L187 HydrophobicContact CB-CD1 4.25Å; L113-L187 HydrophobicContact CB-CG 4.41Å; L113-L200 HydrophobicContact CD1-CD1 4.31Å; L113-L200 HydrophobicContact CD2-CD1 4.1Å; L113-I220 HydrophobicContact CD1-CG2 4Å
114S93.1Very high81Confident11 Ų1149.4 Ų49.48%0.07725%0.253CS..EExtended strand (participates in β ladder)trans-121.3146166.6-164.40000110.5A183 I220 T221S114-A183 VanDerWaalsContact CA-O 3.23Å; S114-A183 WeakPolarHBondContact CA-O 3.4Å; S114-A183 PolarHBondContact OG-O 3.1Å; S114-I220 CarbonylContact O-C 3.56Å; S114-I220 WeakPolarHBondContact O-CA 3.34Å; S114-T221 PolarHBondContact N-O 3.43Å; S114-T221 PolarHBondContact O-N 3.07Å
115F93.9Very high79.4Confident0 Ų050.4 Ų50.40%026%0.257CS..EExtended strand (participates in β ladder)trans-151.2154.7169.360-97.7000110.8L113 Y117 L133 L135 W164 A183 I185 L202 V217 I220L113-F115 HydrophobicContact CD2-CD1 4.05Å; L113-F115 HydrophobicContact CD2-CE1 4.37Å; F115-Y117 HydrophobicContact CD2-CD1 4.2Å; F115-Y117 AromaticContact CE2-CD1 3.83Å; F115-Y117 HydrophobicContact CE2-CD1 3.83Å; F115-Y117 HydrophobicContact CE2-CG 4.33Å; F115-L133 HydrophobicContact CE2-CD2 3.79Å; F115-L133 HydrophobicContact CZ-CD2 4.41Å; F115-L135 HydrophobicContact CE1-CD2 4.41Å; F115-W164 HydrophobicContact CE2-CH2 4.49Å; F115-W164 HydrophobicContact CE2-CZ3 4.22Å; F115-W164 AromaticContact CZ-CE3 3.99Å; F115-W164 HydrophobicContact CZ-CE3 3.99Å; F115-W164 HydrophobicContact CZ-CH2 4.44Å; F115-W164 AromaticContact CZ-CZ3 3.87Å; F115-W164 HydrophobicContact CZ-CZ3 3.87Å; F115-A183 HydrophobicContact CD1-CB 4.39Å; F115-A183 HydrophobicContact CD2-CB 4.19Å; F115-A183 HydrophobicContact CE1-CB 3.99Å; F115-A183 HydrophobicContact CE2-CB 3.75Å; F115-A183 HydrophobicContact CG-CB 4.48Å; F115-A183 HydrophobicContact CZ-CB 3.65Å; F115-A183 PolarHBondContact N-O 3.15Å; F115-A183 VanDerWaalsContact N-O 3.12Å; F115-A183 PolarHBondContact O-N 2.86Å; F115-I185 HydrophobicContact CD1-CD1 4.08Å; F115-I185 HydrophobicContact CE1-CD1 3.5Å; F115-I185 VanDerWaalsContact CE1-CD1 3.5Å; F115-I185 HydrophobicContact CZ-CD1 4.24Å; F115-L202 HydrophobicContact CD1-CD2 4.42Å; F115-L202 HydrophobicContact CE1-CD2 3.93Å; F115-L202 HydrophobicContact CE2-CD2 4.35Å; F115-L202 HydrophobicContact CZ-CD2 3.9Å; F115-V217 HydrophobicContact CB-CG1 4.33Å; F115-V217 HydrophobicContact CD2-CG1 4.21Å; F115-I220 HydrophobicContact CB-CG1 4.01Å
116M91.6Very high77.5Confident50 Ų5052.9 Ų52.925%0.24628%0.277CS..EExtended strand (participates in β ladder)trans-93.2139.3171.2-60.3-175.957.100109.3W180 S181 V182 V217 D218 N219M116-W180 HydrophobicContact CB-CE3 3.88Å; M116-W180 HydrophobicContact CB-CZ3 4.31Å; M116-W180 HydrophobicContact CE-CB 3.73Å; M116-W180 HydrophobicContact CE-CD2 4.37Å; M116-W180 HydrophobicContact CE-CG 4.02Å; M116-S181 CarbonylContact C-O 3.52Å; M116-S181 WeakPolarHBondContact CA-O 3.48Å; M116-V182 HydrophobicContact CG-CG2 4.27Å; M116-V217 CarbonylContact O-C 3.52Å; M116-V217 VanDerWaalsContact O-CA 3.29Å; M116-V217 WeakPolarHBondContact O-CA 3.39Å; M116-D218 HydrophobicContact CB-CB 4.39Å; M116-D218 WeakPolarHBondContact CB-O 3.43Å; M116-D218 PolarHBondContact N-O 2.89Å; M116-D218 PolarHBondContact O-N 2.97Å; M116-N219 HydrophobicContact CG-CB 4.21Å; M116-N219 HydrophobicContact SD-CB 4.09Å
117Y91.3Very high76.4Confident8 Ų855.3 Ų55.33%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-138.4151.5175.370.3-86.7000111.9F115 F119 L133 W164 A169 W180 S181 A183 C216F115-Y117 HydrophobicContact CD2-CD1 4.2Å; F115-Y117 AromaticContact CE2-CD1 3.83Å; F115-Y117 HydrophobicContact CE2-CD1 3.83Å; F115-Y117 HydrophobicContact CE2-CG 4.33Å; Y117-F119 HydrophobicContact CD2-CD2 4.4Å; Y117-F119 AromaticContact CD2-CE2 3.88Å; Y117-F119 HydrophobicContact CD2-CE2 3.88Å; Y117-F119 HydrophobicContact CD2-CZ 4.45Å; Y117-F119 HydrophobicContact CE2-CD2 4.41Å; Y117-F119 AromaticContact CE2-CE2 3.75Å; Y117-F119 HydrophobicContact CE2-CE2 3.75Å; Y117-L133 HydrophobicContact CG-CD2 4.12Å; Y117-W164 HydrophobicContact CD1-CH2 4.02Å; Y117-W164 AromaticContact CE1-CH2 3.55Å; Y117-W164 HydrophobicContact CE1-CH2 3.55Å; Y117-W164 AromaticContact CE1-CZ2 3.73Å; Y117-W164 HydrophobicContact CE1-CZ2 3.73Å; Y117-W164 HydrophobicContact CE2-CH2 4.26Å; Y117-W164 AromaticContact CZ-CH2 3.69Å; Y117-W164 AromaticContact CZ-CZ2 3.89Å; Y117-A169 WeakPolarHBondContact OH-CB 3.11Å; Y117-W180 VanDerWaalsContact C-CE3 3.45Å; Y117-S181 PolarHBondContact N-O 3.22Å; Y117-S181 PolarHBondContact O-N 2.72Å; Y117-A183 HydrophobicContact CD1-CB 4.24Å; Y117-A183 HydrophobicContact CE1-CB 4.06Å; Y117-C216 CarbonylContact C-O 3.53Å; Y117-C216 VanDerWaalsContact CA-O 3.27Å; Y117-C216 WeakPolarHBondContact CA-O 3.42Å
118R86.1Confident75.3Confident16 Ų1649.9 Ų49.96%0.0627%0.266CS..EExtended strand (participates in β ladder)trans-146.5142.2176.4175.8173.3154.3-101.1-10.8110.5E120 V178 W180 C216R118-E120 IonicContact CZ-OE1 3.18Å; R118-E120 IonicContact NH1-OE1 2.77Å; R118-E120 PolarHBondContact NH1-OE1 3.24Å; R118-E120 IonicContact NH2-OE1 2.74Å; R118-E120 PolarHBondContact NH2-OE1 3.31Å; R118-V178 WeakPolarHBondContact CD-O 3.46Å; R118-V178 PolarHBondContact NE-O 2.92Å; R118-W180 HydrophobicContact CB-CD2 3.79Å; R118-W180 HydrophobicContact CB-CE3 3.65Å; R118-W180 HydrophobicContact CB-CG 4.34Å; R118-W180 HydrophobicContact CB-CH2 4.4Å; R118-W180 HydrophobicContact CB-CZ3 3.98Å; R118-C216 PolarHBondContact N-O 2.85Å; R118-C216 PolarHBondContact O-N 2.98Å
119F85Confident74.3Confident37 Ų3753.1 Ų53.116%0.16229%0.291CS..EExtended strand (participates in β ladder)trans-95.7119.8172-67.2-76.6000109.8Y117 F131 L133 V173 I215Y117-F119 HydrophobicContact CD2-CD2 4.4Å; Y117-F119 AromaticContact CD2-CE2 3.88Å; Y117-F119 HydrophobicContact CD2-CE2 3.88Å; Y117-F119 HydrophobicContact CD2-CZ 4.45Å; Y117-F119 HydrophobicContact CE2-CD2 4.41Å; Y117-F119 AromaticContact CE2-CE2 3.75Å; Y117-F119 HydrophobicContact CE2-CE2 3.75Å; F119-F131 HydrophobicContact CB-CD1 4.38Å; F119-F131 HydrophobicContact CB-CE1 3.77Å; F119-F131 HydrophobicContact CB-CZ 4.27Å; F119-F131 AromaticContact CD1-CD1 3.8Å; F119-F131 HydrophobicContact CD1-CD1 3.8Å; F119-F131 HydrophobicContact CD1-CD2 4.13Å; F119-F131 AromaticContact CD1-CE1 3.64Å; F119-F131 HydrophobicContact CD1-CE1 3.64Å; F119-F131 AromaticContact CD1-CE2 4Å; F119-F131 HydrophobicContact CD1-CE2 4Å; F119-F131 HydrophobicContact CD1-CG 4.06Å; F119-F131 AromaticContact CD1-CZ 3.76Å; F119-F131 HydrophobicContact CD1-CZ 3.76Å; F119-F131 HydrophobicContact CE1-CD2 4.38Å; F119-F131 HydrophobicContact CE1-CG 4.39Å; F119-F131 HydrophobicContact CG-CD1 4.35Å; F119-F131 HydrophobicContact CG-CE1 4.1Å; F119-L133 HydrophobicContact CZ-CB 4.27Å; F119-V173 HydrophobicContact CD2-CG1 3.74Å; F119-V173 HydrophobicContact CE2-CG1 4.17Å; F119-I215 HydrophobicContact CD1-CD1 4.43Å; F119-I215 HydrophobicContact CD1-CG1 3.87Å; F119-I215 HydrophobicContact CD1-CG2 4.32Å; F119-I215 HydrophobicContact CE1-CB 4.44Å; F119-I215 HydrophobicContact CE1-CD1 3.84Å; F119-I215 HydrophobicContact CE1-CG1 3.75Å; F119-I215 HydrophobicContact CE1-CG2 4.02Å
120E79.6Confident73.8Confident36 Ų3651.8 Ų51.817%0.16828%0.282CS..EExtended strand (participates in β ladder)trans-92118.4168.6-54.3-147.6117.300109.3R118 A213 R214R118-E120 IonicContact CZ-OE1 3.18Å; R118-E120 IonicContact NH1-OE1 2.77Å; R118-E120 PolarHBondContact NH1-OE1 3.24Å; R118-E120 IonicContact NH2-OE1 2.74Å; R118-E120 PolarHBondContact NH2-OE1 3.31Å; E120-A213 WeakPolarHBondContact O-CA 3.35Å; E120-R214 HydrophobicContact CB-CB 4.13Å; E120-R214 HydrophobicContact CG-CB 4.46Å; E120-R214 PolarHBondContact N-O 2.84Å; E120-R214 PolarHBondContact O-N 2.84Å
121N68.3Low73.6Confident57 Ų5752.8 Ų52.831%0.30529%0.286SS..  trans-121.5127.4-169-157.6-64.8000111.9H123 F125N121-H123 VanDerWaalsContact C-N 3.26Å; N121-H123 PolarHBondContact O-N 2.93Å; N121-F125 VanDerWaalsContact ND2-CB 3.3Å; N121-F125 WeakPolarHBondContact ND2-CB 3.14Å; N121-F125 WeakPolarHBondContact ND2-CD2 3.45Å; N121-F125 WeakPolarHBondContact ND2-CG 3.26Å; N121-F125 WeakPolarHBondContact OD1-CB 3.38Å; N121-F125 WeakPolarHBondContact OD1-CD2 3.47Å; N121-F125 WeakPolarHBondContact OD1-CG 3.49Å
122S55.8Low73.7Confident37 Ų3748.8 Ų48.826%0.25927%0.269SS..  trans-79.770176.760.90000111.3Y124S122-Y124 WeakPolarHBondContact O-CD2 3.4Å; S122-Y124 PolarHBondContact O-N 3.19Å
123H54.8Low73.7Confident159 Ų15948.8 Ų48.874%0.73627%0.269SS*.SBendtrans50.8-1164.9-71.3-67.1000120.6N121N121-H123 VanDerWaalsContact C-N 3.26Å; N121-H123 PolarHBondContact O-N 2.93Å
124Y53.4Low73.8Confident182 Ų18249.7 Ų49.771%0.71427%0.274SS*.  trans-127.513.2-164.7-64.3-62.3000115S122 S126S122-Y124 WeakPolarHBondContact O-CD2 3.4Å; S122-Y124 PolarHBondContact O-N 3.19Å; Y124-S126 PolarHBondContact O-N 3.37Å
125F55.2Low73.9Confident22 Ų2249.1 Ų49.110%0.09627%0.27CS..  trans-86.393.4-177.8-87.6-116.2000113.5N121 F131 P207 Y210N121-F125 VanDerWaalsContact ND2-CB 3.3Å; N121-F125 WeakPolarHBondContact ND2-CB 3.14Å; N121-F125 WeakPolarHBondContact ND2-CD2 3.45Å; N121-F125 WeakPolarHBondContact ND2-CG 3.26Å; N121-F125 WeakPolarHBondContact OD1-CB 3.38Å; N121-F125 WeakPolarHBondContact OD1-CD2 3.47Å; N121-F125 WeakPolarHBondContact OD1-CG 3.49Å; F125-F131 HydrophobicContact CD1-CD1 4.45Å; F125-F131 HydrophobicContact CE1-CB 4.01Å; F125-F131 HydrophobicContact CE1-CD1 4.24Å; F125-F131 HydrophobicContact CE1-CG 4.37Å; F125-P207 HydrophobicContact CE1-CB 4.3Å; F125-P207 HydrophobicContact CE1-CG 3.67Å; F125-P207 HydrophobicContact CZ-CB 4.2Å; F125-P207 HydrophobicContact CZ-CG 3.38Å; F125-Y210 HydrophobicContact CD2-CD1 4.31Å; F125-Y210 HydrophobicContact CD2-CE1 4.21Å; F125-Y210 HydrophobicContact CE1-CD2 4.5Å; F125-Y210 AromaticContact CE2-CD1 3.44Å; F125-Y210 HydrophobicContact CE2-CD1 3.44Å; F125-Y210 VanDerWaalsContact CE2-CD1 3.44Å; F125-Y210 AromaticContact CE2-CD2 3.66Å; F125-Y210 HydrophobicContact CE2-CD2 3.66Å; F125-Y210 AromaticContact CE2-CE1 3.68Å; F125-Y210 HydrophobicContact CE2-CE1 3.68Å; F125-Y210 AromaticContact CE2-CE2 3.9Å; F125-Y210 HydrophobicContact CE2-CE2 3.9Å; F125-Y210 AromaticContact CE2-CG 3.4Å; F125-Y210 HydrophobicContact CE2-CG 3.4Å; F125-Y210 AromaticContact CE2-CZ 3.9Å; F125-Y210 HydrophobicContact CZ-CD1 4.11Å; F125-Y210 AromaticContact CZ-CD2 3.43Å; F125-Y210 HydrophobicContact CZ-CD2 3.43Å; F125-Y210 VanDerWaalsContact CZ-CD2 3.43Å; F125-Y210 HydrophobicContact CZ-CE1 4.41Å; F125-Y210 AromaticContact CZ-CE2 3.81Å; F125-Y210 HydrophobicContact CZ-CE2 3.81Å; F125-Y210 AromaticContact CZ-CG 3.58Å; F125-Y210 HydrophobicContact CZ-CG 3.58Å
126S46.1Very low73.8Confident106 Ų10649.5 Ų49.574%0.74127%0.272SS*.SBendtrans-89111.6150.6-65.50000109.8Y124 S128Y124-S126 PolarHBondContact O-N 3.37Å; S126-S128 PolarHBondContact O-N 2.99Å; S126-S128 VanDerWaalsContact O-N 3.09Å
127S51.3Low73.8Confident102 Ų10248.1 Ų48.171%0.71326%0.264SS*.SBendtrans60.317.4158.765.10000120.2S129S127-S129 PolarHBondContact O-N 3.15Å; S127-S129 VanDerWaalsContact O-N 3.08Å
128S54Low73.7Confident45 Ų4550.5 Ų50.532%0.31527%0.273SS..  trans-69.6106.9175.5-176.50000112.1S126 S130S126-S128 PolarHBondContact O-N 2.99Å; S126-S128 VanDerWaalsContact O-N 3.09Å; S128-S130 PolarHBondContact O-N 3.44Å; S128-S130 VanDerWaalsContact O-N 3.16Å; S128-S130 PolarHBondContact OG-OG 3.36Å
129S59.9Low73.7Confident102 Ų10250.3 Ų50.371%0.71327%0.274SS*.THydrogen-bonded Turntrans-75.25.2-175.155.20000115S127S127-S129 PolarHBondContact O-N 3.15Å; S127-S129 VanDerWaalsContact O-N 3.08Å
130S71.8Confident73.4Confident26 Ų2653 Ų5318%0.18229%0.287CS..THydrogen-bonded Turntrans-102-5.3179.658.20000115.1N94 S128 V132 T205 P207N94-S130 WeakPolarHBondContact ND2-CB 3.49Å; N94-S130 WeakPolarHBondContact OD1-CB 3.46Å; N94-S130 PolarHBondContact OD1-OG 3.35Å; S128-S130 PolarHBondContact O-N 3.44Å; S128-S130 VanDerWaalsContact O-N 3.16Å; S128-S130 PolarHBondContact OG-OG 3.36Å; S130-V132 PolarHBondContact O-N 3.42Å; S130-T205 WeakPolarHBondContact O-CB 3.12Å; S130-T205 WeakPolarHBondContact O-CG2 3.44Å; S130-P207 WeakPolarHBondContact OG-CB 3.43Å
131F83Confident73Confident24 Ų2454.1 Ų54.111%0.10531%0.309CS..  trans-85.5100.8172-162.7-155.2000110.3F119 F125 P207 A213 R214 I215F119-F131 HydrophobicContact CB-CD1 4.38Å; F119-F131 HydrophobicContact CB-CE1 3.77Å; F119-F131 HydrophobicContact CB-CZ 4.27Å; F119-F131 AromaticContact CD1-CD1 3.8Å; F119-F131 HydrophobicContact CD1-CD1 3.8Å; F119-F131 HydrophobicContact CD1-CD2 4.13Å; F119-F131 AromaticContact CD1-CE1 3.64Å; F119-F131 HydrophobicContact CD1-CE1 3.64Å; F119-F131 AromaticContact CD1-CE2 4Å; F119-F131 HydrophobicContact CD1-CE2 4Å; F119-F131 HydrophobicContact CD1-CG 4.06Å; F119-F131 AromaticContact CD1-CZ 3.76Å; F119-F131 HydrophobicContact CD1-CZ 3.76Å; F119-F131 HydrophobicContact CE1-CD2 4.38Å; F119-F131 HydrophobicContact CE1-CG 4.39Å; F119-F131 HydrophobicContact CG-CD1 4.35Å; F119-F131 HydrophobicContact CG-CE1 4.1Å; F125-F131 HydrophobicContact CD1-CD1 4.45Å; F125-F131 HydrophobicContact CE1-CB 4.01Å; F125-F131 HydrophobicContact CE1-CD1 4.24Å; F125-F131 HydrophobicContact CE1-CG 4.37Å; F131-P207 HydrophobicContact CB-CG 3.99Å; F131-P207 HydrophobicContact CD2-CG 4.1Å; F131-P207 HydrophobicContact CG-CG 4.16Å; F131-A213 HydrophobicContact CE1-CB 4.38Å; F131-A213 HydrophobicContact CE2-CB 4.11Å; F131-A213 HydrophobicContact CZ-CB 3.83Å; F131-R214 WeakPolarHBondContact CZ-O 3.38Å; F131-I215 HydrophobicContact CD2-CD1 4.22Å; F131-I215 HydrophobicContact CD2-CG1 4.03Å; F131-I215 HydrophobicContact CE2-CD1 4.16Å; F131-I215 HydrophobicContact CE2-CG1 3.49Å; F131-I215 VanDerWaalsContact CE2-CG1 3.49Å; F131-I215 HydrophobicContact CZ-CG1 4.21Å
132V88.4Confident73.1Confident5 Ų553.7 Ų53.73%0.0331%0.31CS..EExtended strand (participates in β ladder)trans-146141.1-159.6179.90000111.2S130 N134 S165 K167 T205 I215S130-V132 PolarHBondContact O-N 3.42Å; V132-N134 WeakPolarHBondContact CG1-OD1 3.39Å; V132-S165 WeakPolarHBondContact CG1-OG 3.4Å; V132-K167 HydrophobicContact CG1-CD 4.43Å; V132-K167 HydrophobicContact CG1-CG 3.94Å; V132-K167 HydrophobicContact CG2-CD 4.24Å; V132-K167 HydrophobicContact CG2-CG 3.78Å; V132-T205 PolarHBondContact N-O 3.07Å; V132-T205 PolarHBondContact O-N 3.18Å; V132-I215 WeakPolarHBondContact O-CD1 3.25Å
133L92.7Very high74.4Confident0 Ų054.1 Ų54.10%031%0.313CS..EExtended strand (participates in β ladder)trans-112.6125.4164.2-178.159.8000109.4W47 F115 Y117 F119 W164 S165 S166 L202 E203 I215 V217W47-L133 HydrophobicContact CH2-CD1 3.91Å; W47-L133 HydrophobicContact CZ2-CD1 4.04Å; F115-L133 HydrophobicContact CE2-CD2 3.79Å; F115-L133 HydrophobicContact CZ-CD2 4.41Å; Y117-L133 HydrophobicContact CG-CD2 4.12Å; F119-L133 HydrophobicContact CZ-CB 4.27Å; L133-W164 HydrophobicContact CB-CZ3 4.25Å; L133-W164 HydrophobicContact CD2-CZ3 4.3Å; L133-W164 HydrophobicContact CG-CZ3 4.12Å; L133-W164 WeakPolarHBondContact O-CZ3 3.43Å; L133-S165 WeakPolarHBondContact O-CA 3.44Å; L133-S166 PolarHBondContact N-OG 3.08Å; L133-S166 PolarHBondContact O-N 2.94Å; L133-L202 HydrophobicContact CD1-CD2 4.34Å; L133-E203 WeakPolarHBondContact CA-O 3.44Å; L133-I215 HydrophobicContact CB-CG2 4.15Å; L133-I215 HydrophobicContact CD1-CG2 4.32Å; L133-I215 HydrophobicContact CD2-CG2 4.12Å; L133-I215 HydrophobicContact CG-CG2 4.44Å; L133-V217 HydrophobicContact CD2-CG2 3.73Å
134N93.8Very high75.8Confident18 Ų1851.9 Ų51.910%0.09631%0.305CS..EExtended strand (participates in β ladder)trans-111.3151.1171.5-51-43.3000110.3V132 L136 W164 S165 E203V132-N134 WeakPolarHBondContact CG1-OD1 3.39Å; N134-L136 HydrophobicContact CB-CD2 3.87Å; N134-W164 CarbonylContact C-O 3.2Å; N134-W164 WeakPolarHBondContact CA-O 3.39Å; N134-S165 VanDerWaalsContact OD1-CB 3.25Å; N134-S165 WeakPolarHBondContact OD1-CB 3.38Å; N134-S165 PolarHBondContact OD1-OG 3.13Å; N134-E203 HydrophobicContact CB-CB 4.26Å; N134-E203 PolarHBondContact N-O 3.03Å; N134-E203 PolarHBondContact ND2-OE1 3.27Å; N134-E203 PolarHBondContact O-N 3.36Å
135L95.1Very high77.2Confident0 Ų050.6 Ų50.60%030%0.303CS..EExtended strand (participates in β ladder)trans-112122.3162.4-17874.3000108.2L113 F115 L163 W164 I185 L200 I201 L202L113-L135 HydrophobicContact CD2-CD1 4.07Å; L113-L135 HydrophobicContact CD2-CD2 3.78Å; F115-L135 HydrophobicContact CE1-CD2 4.41Å; L135-L163 HydrophobicContact CD2-CB 4.27Å; L135-L163 HydrophobicContact CD2-CD1 4.04Å; L135-L163 HydrophobicContact CG-CB 4.43Å; L135-L163 HydrophobicContact CG-CD1 4.32Å; L135-L163 WeakPolarHBondContact O-CB 3.5Å; L135-L163 PolarHBondContact O-N 3.11Å; L135-W164 HydrophobicContact CB-CB 4.25Å; L135-W164 PolarHBondContact N-O 2.8Å; L135-W164 PolarHBondContact O-N 3.13Å; L135-I185 HydrophobicContact CD2-CB 4.15Å; L135-I185 HydrophobicContact CD2-CD1 3.99Å; L135-I185 HydrophobicContact CD2-CG1 3.9Å; L135-I185 HydrophobicContact CD2-CG2 4.14Å; L135-L200 HydrophobicContact CD1-CB 4.37Å; L135-I201 WeakPolarHBondContact CA-O 3.43Å; L135-L202 HydrophobicContact CD1-CD2 3.76Å; L135-L202 HydrophobicContact CD1-CG 4.05Å
136L93.4Very high78.5Confident7 Ų753.6 Ų53.64%0.03732%0.317CS..EExtended strand (participates in β ladder)trans-115.2156.6-179.5-38.4175.1000111N134 N160 V161 D162 L200 I201 E203N134-L136 HydrophobicContact CB-CD2 3.87Å; L136-N160 HydrophobicContact CB-CB 4.2Å; L136-N160 HydrophobicContact CD1-CB 4.24Å; L136-V161 CarbonylContact C-O 3.59Å; L136-V161 WeakPolarHBondContact CA-O 3.45Å; L136-D162 WeakPolarHBondContact CD2-OD1 3.35Å; L136-L200 CarbonylContact O-C 3.55Å; L136-L200 WeakPolarHBondContact O-CA 3.42Å; L136-I201 HydrophobicContact CB-CB 4.18Å; L136-I201 PolarHBondContact N-O 3.28Å; L136-I201 PolarHBondContact O-N 3.4Å; L136-E203 HydrophobicContact CD1-CB 4.23Å; L136-E203 HydrophobicContact CG-CB 4.47Å
137R91.1Very high80.2Confident21 Ų2152.4 Ų52.48%0.07931%0.309CS..EExtended strand (participates in β ladder)trans-118122.7170.9-172.9175.274.1-176.88.1110.5N160 V161 L163 S188 S191 Y198R137-N160 WeakPolarHBondContact O-CA 3.43Å; R137-V161 HydrophobicContact CB-CB 4.44Å; R137-V161 PolarHBondContact N-O 2.04Å; R137-V161 PolarHBondContact O-N 3.45Å; R137-L163 HydrophobicContact CB-CD1 3.95Å; R137-L163 HydrophobicContact CB-CD2 4.09Å; R137-L163 HydrophobicContact CB-CG 3.97Å; R137-S188 PolarHBondContact NH1-O 3.47Å; R137-S191 PolarHBondContact NH2-OG 3.33Å; R137-Y198 HydrophobicContact CG-CD2 3.67Å; R137-Y198 HydrophobicContact CG-CE2 4.38Å; R137-Y198 HydrophobicContact CG-CG 4.09Å
138R89.3Confident81.3Confident58 Ų5850.8 Ų50.822%0.21930%0.295CS..EExtended strand (participates in β ladder)trans-110.4116.7173-175.6-179.3-63.8162.56.5109.5C158 N160 Y198 K199 I201R138-C158 HydrophobicContact CG-CB 4.06Å; R138-N160 PolarHBondContact NE-OD1 2.83Å; R138-N160 PolarHBondContact NH2-OD1 2.86Å; R138-Y198 CarbonylContact O-C 3.58Å; R138-Y198 VanDerWaalsContact O-CA 3.24Å; R138-Y198 WeakPolarHBondContact O-CA 3.45Å; R138-Y198 WeakPolarHBondContact O-CB 3.36Å; R138-K199 PolarHBondContact N-O 3.06Å; R138-K199 PolarHBondContact O-N 3.08Å; R138-I201 HydrophobicContact CB-CD1 4.07Å; R138-I201 VanDerWaalsContact CZ-CD1 3.48Å
139S86.3Confident82.1Confident13 Ų1357.6 Ų57.69%0.09132%0.322CS..EExtended strand (participates in β ladder)trans-94.6135.417434.70000110.1G141 S142S139-G141 VanDerWaalsContact C-N 3.27Å; S139-G141 PolarHBondContact O-N 3.46Å; S139-S142 PolarHBondContact O-N 3.34Å; S139-S142 VanDerWaalsContact O-N 3.11Å; S139-S142 WeakPolarHBondContact OG-CB 3.5Å; S139-S142 PolarHBondContact OG-OG 3.01Å
140E77.4Confident82.5Confident92 Ų9260.6 Ų60.643%0.4332%0.324SS..EExtended strand (participates in β ladder)trans-71.6-24.4-173.8-62.2-173.9143.600112.3S142 C143 S197 K199E140-S142 VanDerWaalsContact C-N 3.26Å; E140-S142 PolarHBondContact O-N 2.8Å; E140-C143 PolarHBondContact O-SG 2.86Å; E140-S197 PolarHBondContact N-O 3.27Å; E140-S197 VanDerWaalsContact N-O 3.13Å; E140-S197 PolarHBondContact OE2-OG 3.43Å; E140-K199 WeakPolarHBondContact OE1-CE 3.29Å; E140-K199 IonicContact OE1-NZ 3.16Å; E140-K199 PolarHBondContact OE1-NZ 3.14Å
141G71.5Confident82.4Confident61 Ų6163 Ų6363%0.62933%0.332SS*.EExtended strand (participates in β ladder)trans-71.6-9.2170.800000115.6S139S139-G141 VanDerWaalsContact C-N 3.27Å; S139-G141 PolarHBondContact O-N 3.46Å
142S71.2Confident82Confident47 Ų4765.1 Ų65.133%0.32936%0.361SS..EExtended strand (participates in β ladder)trans-99.725.4-175.4-56.20000113.3S139 E140 E159S139-S142 PolarHBondContact O-N 3.34Å; S139-S142 VanDerWaalsContact O-N 3.11Å; S139-S142 WeakPolarHBondContact OG-CB 3.5Å; S139-S142 PolarHBondContact OG-OG 3.01Å; E140-S142 VanDerWaalsContact C-N 3.26Å; E140-S142 PolarHBondContact O-N 2.8Å; S142-E159 PolarHBondContact O-N 3.42Å
143C82.8Confident81.7Confident46 Ų4671.6 Ų71.631%0.31139%0.388SS..EExtended strand (participates in β ladder)trans-104.6106.3-172.3-66.80000112.2E140 V156 C158E140-C143 PolarHBondContact O-SG 2.86Å; C143-V156 HydrophobicContact CB-CG1 3.65Å; C143-C158 HydrophobicContact CB-CB 4.13Å; C143-C158 WeakPolarHBondContact CB-SG 3.5Å; C143-C158 WeakPolarHBondContact SG-CB 3.38Å; C143-C158 CovalentContact SG-SG 2.04Å; C143-C158 PolarHBondContact SG-SG 3.41Å
144I84.1Confident81.2Confident113 Ų11374.5 Ų74.558%0.57941%0.408SS*.EExtended strand (participates in β ladder)trans-84.4120.8178.9-57.8178.4000109.9H146 V156 T157I144-H146 PolarHBondContact O-CD2 2.77Å; I144-H146 PolarHBondContact O-N 2.68Å; I144-V156 WeakPolarHBondContact O-CA 3.46Å; I144-T157 PolarHBondContact N-O 3.08Å; I144-T157 PolarHBondContact O-N 2.63Å
145K83.7Confident80.7Confident154 Ų15476.7 Ų76.767%0.6743%0.426SS*.EExtended strand (participates in β ladder)trans-83.1107.7173.3-173.9175-177.3175.50110.6S154 S155 V156K145-S154 WeakPolarHBondContact CE-OG 3.47Å; K145-S154 WeakPolarHBondContact CG-OG 3.41Å; K145-S155 CarbonylContact C-O 3.42Å; K145-S155 WeakPolarHBondContact CA-O 3.32Å; K145-V156 HydrophobicContact CB-CG2 4.39Å; K145-V156 HydrophobicContact CG-CG2 4.28Å
146H82.4Confident80.2Confident86 Ų8681 Ų8140%0.39845%0.451SS..EExtended strand (participates in β ladder)trans-84.7138.9169.6-58.4-96.7000109.5I144 S154 S155 T157I144-H146 PolarHBondContact O-CD2 2.77Å; I144-H146 PolarHBondContact O-N 2.68Å; H146-S154 CarbonylContact O-C 3.6Å; H146-S154 WeakPolarHBondContact O-CA 3.4Å; H146-S154 PolarHBondContact O-OG 3.13Å; H146-S155 PolarHBondContact N-O 2.96Å; H146-S155 PolarHBondContact O-N 3.41Å; H146-S155 VanDerWaalsContact O-O 3.11Å; H146-T157 PolarHBondContact CD2-OG1 3.36Å; H146-T157 PolarHBondContact NE2-OG1 3.35Å; H146-T157 VanDerWaalsContact NE2-OG1 3.13Å
147S80.2Confident79.8Confident81 Ų8184.2 Ų84.257%0.56647%0.472SS*.EExtended strand (participates in β ladder)trans-131.9110.9172.2-175.20000109.1Q149S147-Q149 PolarHBondContact O-N 3.37Å
148T76.3Confident79.5Confident68 Ų6884.9 Ų84.942%0.41748%0.479SS..EExtended strand (participates in β ladder)trans-87.598.7178-52.50000108.2E150 F151 G152 K153T148-E150 HydrophobicContact CG2-CB 4.41Å; T148-E150 PolarHBondContact O-N 2.99Å; T148-F151 PolarHBondContact O-N 3.01Å; T148-G152 PolarHBondContact O-N 2.82Å; T148-K153 PolarHBondContact N-O 2.94Å
149Q70Confident79.3Confident188 Ų18888.9 Ų88.988%0.87950%0.5SS*.THydrogen-bonded Turntrans-54.5-29.9-174.1-67.4-175.6-10.800113.4S147 F151S147-Q149 PolarHBondContact O-N 3.37Å; Q149-F151 VanDerWaalsContact C-N 3.28Å; Q149-F151 PolarHBondContact O-N 3.09Å
150E67.6Low79.4Confident164 Ų16490.6 Ų90.677%0.76651%0.508SS*.THydrogen-bonded Turntrans-65.8-20.9-177.8-58.1-177.9139.900115.1T148T148-E150 HydrophobicContact CG2-CB 4.41Å; T148-E150 PolarHBondContact O-N 2.99Å
151F69.8Low80Confident77 Ų7789.3 Ų89.334%0.33851%0.506SS..THydrogen-bonded Turntrans-134.64.4-174.1-68.5-80.1000114.6T148 Q149 K153 I828T148-F151 PolarHBondContact O-N 3.01Å; Q149-F151 VanDerWaalsContact C-N 3.28Å; Q149-F151 PolarHBondContact O-N 3.09Å; F151-K153 HydrophobicContact CB-CB 4.43Å; F151-K153 HydrophobicContact CB-CD 3.89Å; F151-K153 HydrophobicContact CB-CG 3.89Å; F151-K153 PolarHBondContact O-N 3.43Å; F151-I828 HydrophobicContact CD1-CG2 4.4Å
152G76.1Confident80.9Confident69 Ų6992 Ų9271%0.71151%0.506SS*.THydrogen-bonded Turntrans63.85.3-172.200000114.5T148T148-G152 PolarHBondContact O-N 2.82Å
153K81.3Confident81.8Confident141 Ų14192 Ų9261%0.61350%0.503SS*.EExtended strand (participates in β ladder)trans-74.3129.6-178.9-69.1175-177.6174.10109.5T148 F151T148-K153 PolarHBondContact N-O 2.94Å; F151-K153 HydrophobicContact CB-CB 4.43Å; F151-K153 HydrophobicContact CB-CD 3.89Å; F151-K153 HydrophobicContact CB-CG 3.89Å; F151-K153 PolarHBondContact O-N 3.43Å
154S81.1Confident82.3Confident60 Ų6092.2 Ų92.242%0.4250%0.497SS..EExtended strand (participates in β ladder)trans-121.3134.8167.3-166.80000109.5K145 H146K145-S154 WeakPolarHBondContact CE-OG 3.47Å; K145-S154 WeakPolarHBondContact CG-OG 3.41Å; H146-S154 CarbonylContact O-C 3.6Å; H146-S154 WeakPolarHBondContact O-CA 3.4Å; H146-S154 PolarHBondContact O-OG 3.13Å
155S83.9Confident82.7Confident65 Ų6587.4 Ų87.446%0.45547%0.473SS..EExtended strand (participates in β ladder)trans-121.2162.3169.658.90000109.3K145 H146K145-S155 CarbonylContact C-O 3.42Å; K145-S155 WeakPolarHBondContact CA-O 3.32Å; H146-S155 PolarHBondContact N-O 2.96Å; H146-S155 PolarHBondContact O-N 3.41Å; H146-S155 VanDerWaalsContact O-O 3.11Å
156V84Confident82.9Confident90 Ų9080.8 Ų80.855%0.54545%0.447SS..EExtended strand (participates in β ladder)trans-122.7120.7172.6179.40000107.5C143 I144 K145C143-V156 HydrophobicContact CB-CG1 3.65Å; I144-V156 WeakPolarHBondContact O-CA 3.46Å; K145-V156 HydrophobicContact CB-CG2 4.39Å; K145-V156 HydrophobicContact CG-CG2 4.28Å
157T84.9Confident82.9Confident75 Ų7583 Ų8346%0.4646%0.455SS..EExtended strand (participates in β ladder)trans-106108.8178.9-52.30000107.9I144 H146I144-T157 PolarHBondContact N-O 3.08Å; I144-T157 PolarHBondContact O-N 2.63Å; H146-T157 PolarHBondContact CD2-OG1 3.36Å; H146-T157 PolarHBondContact NE2-OG1 3.35Å; H146-T157 VanDerWaalsContact NE2-OG1 3.13Å
158C85.1Confident82.5Confident34 Ų3488.4 Ų88.423%0.2346%0.464CS..EExtended strand (participates in β ladder)trans-95.9127.2173.9-53.60000110R138 C143R138-C158 HydrophobicContact CG-CB 4.06Å; C143-C158 HydrophobicContact CB-CB 4.13Å; C143-C158 WeakPolarHBondContact CB-SG 3.5Å; C143-C158 WeakPolarHBondContact SG-CB 3.38Å; C143-C158 CovalentContact SG-SG 2.04Å; C143-C158 PolarHBondContact SG-SG 3.41Å
159E85.5Confident82.1Confident143 Ų14386.1 Ų86.167%0.66845%0.452SS*.EExtended strand (participates in β ladder)trans-69.3141.2172.2-168.7166.2-159.900110.3S142S142-E159 PolarHBondContact O-N 3.42Å
160N89.4Confident81.3Confident49 Ų4981.8 Ų81.826%0.26244%0.443SS..EExtended strand (participates in β ladder)trans-114.6134.1172.8-43.4-84.2000107.7L136 R137 R138L136-N160 HydrophobicContact CB-CB 4.2Å; L136-N160 HydrophobicContact CD1-CB 4.24Å; R137-N160 WeakPolarHBondContact O-CA 3.43Å; R138-N160 PolarHBondContact NE-OD1 2.83Å; R138-N160 PolarHBondContact NH2-OD1 2.86Å
161V89.5Confident80.3Confident64 Ų6481.9 Ų81.939%0.38845%0.449SS..EExtended strand (participates in β ladder)trans-94.1122.2175-178.80000108.8L136 R137 L163L136-V161 CarbonylContact C-O 3.59Å; L136-V161 WeakPolarHBondContact CA-O 3.45Å; R137-V161 HydrophobicContact CB-CB 4.44Å; R137-V161 PolarHBondContact N-O 2.04Å; R137-V161 PolarHBondContact O-N 3.45Å; V161-L163 PolarHBondContact O-N 3.37Å
162D89.9Confident79.1Confident117 Ų11784.9 Ų84.963%0.62647%0.468SS*.EExtended strand (participates in β ladder)trans-62.2121.6169-68.9-67.2000110.2L136L136-D162 WeakPolarHBondContact CD2-OD1 3.35Å
163L91.2Very high77.7Confident48 Ų4884.6 Ų84.625%0.25145%0.452SS..EExtended strand (participates in β ladder)trans-98.7-37.7173.5-61.5-176.6000112.2L135 R137 V161 I185 L187 L200L135-L163 HydrophobicContact CD2-CB 4.27Å; L135-L163 HydrophobicContact CD2-CD1 4.04Å; L135-L163 HydrophobicContact CG-CB 4.43Å; L135-L163 HydrophobicContact CG-CD1 4.32Å; L135-L163 WeakPolarHBondContact O-CB 3.5Å; L135-L163 PolarHBondContact O-N 3.11Å; R137-L163 HydrophobicContact CB-CD1 3.95Å; R137-L163 HydrophobicContact CB-CD2 4.09Å; R137-L163 HydrophobicContact CB-CG 3.97Å; V161-L163 PolarHBondContact O-N 3.37Å; L163-I185 HydrophobicContact CB-CG2 4.09Å; L163-L187 HydrophobicContact CD1-CD2 3.68Å; L163-L200 HydrophobicContact CD1-CD2 3.73Å
164W93Very high76.1Confident50 Ų5083.7 Ų83.719%0.18945%0.453CS..EExtended strand (participates in β ladder)trans-157.7150.3-177.1177.791.6000111.1F115 Y117 L133 N134 L135 A169 A183 I185F115-W164 HydrophobicContact CE2-CH2 4.49Å; F115-W164 HydrophobicContact CE2-CZ3 4.22Å; F115-W164 AromaticContact CZ-CE3 3.99Å; F115-W164 HydrophobicContact CZ-CE3 3.99Å; F115-W164 HydrophobicContact CZ-CH2 4.44Å; F115-W164 AromaticContact CZ-CZ3 3.87Å; F115-W164 HydrophobicContact CZ-CZ3 3.87Å; Y117-W164 HydrophobicContact CD1-CH2 4.02Å; Y117-W164 AromaticContact CE1-CH2 3.55Å; Y117-W164 HydrophobicContact CE1-CH2 3.55Å; Y117-W164 AromaticContact CE1-CZ2 3.73Å; Y117-W164 HydrophobicContact CE1-CZ2 3.73Å; Y117-W164 HydrophobicContact CE2-CH2 4.26Å; Y117-W164 AromaticContact CZ-CH2 3.69Å; Y117-W164 AromaticContact CZ-CZ2 3.89Å; L133-W164 HydrophobicContact CB-CZ3 4.25Å; L133-W164 HydrophobicContact CD2-CZ3 4.3Å; L133-W164 HydrophobicContact CG-CZ3 4.12Å; L133-W164 WeakPolarHBondContact O-CZ3 3.43Å; N134-W164 CarbonylContact C-O 3.2Å; N134-W164 WeakPolarHBondContact CA-O 3.39Å; L135-W164 HydrophobicContact CB-CB 4.25Å; L135-W164 PolarHBondContact N-O 2.8Å; L135-W164 PolarHBondContact O-N 3.13Å; W164-A169 HydrophobicContact CZ2-CB 4.17Å; W164-A183 HydrophobicContact CD2-CB 4.46Å; W164-A183 HydrophobicContact CH2-CB 4.3Å; W164-A183 HydrophobicContact CZ2-CB 3.92Å; W164-I185 HydrophobicContact CB-CG1 3.78Å; W164-I185 HydrophobicContact CG-CG1 4.02Å
165S90.9Very high74.3Confident13 Ų1384.2 Ų84.29%0.09146%0.456CS..EExtended strand (participates in β ladder)trans-144.7136.4172.6-177.60000111.5V132 L133 N134 K167 Y168V132-S165 WeakPolarHBondContact CG1-OG 3.4Å; L133-S165 WeakPolarHBondContact O-CA 3.44Å; N134-S165 VanDerWaalsContact OD1-CB 3.25Å; N134-S165 WeakPolarHBondContact OD1-CB 3.38Å; N134-S165 PolarHBondContact OD1-OG 3.13Å; S165-K167 PolarHBondContact O-N 2.96Å; S165-K167 VanDerWaalsContact O-N 3.07Å; S165-K167 PolarHBondContact OG-N 2.91Å; S165-Y168 PolarHBondContact O-N 2.79Å; S165-Y168 VanDerWaalsContact O-N 3.11Å
166S88.5Confident72.5Confident15 Ų1587.5 Ų87.511%0.10547%0.469CS..G310 helixtrans-60.4-18.2177.5720000113.5L133 Y168 A169L133-S166 PolarHBondContact N-OG 3.08Å; L133-S166 PolarHBondContact O-N 2.94Å; S166-Y168 PolarHBondContact O-N 3.45Å; S166-A169 WeakPolarHBondContact O-CB 3.03Å; S166-A169 PolarHBondContact O-N 3.25Å
167K82.6Confident71Confident131 Ų13188.9 Ų88.957%0.5747%0.473SS*.G310 helixtrans-56.1-31.4173.1-69.7-178.4-177.8175.50113.2V132 S165V132-K167 HydrophobicContact CG1-CD 4.43Å; V132-K167 HydrophobicContact CG1-CG 3.94Å; V132-K167 HydrophobicContact CG2-CD 4.24Å; V132-K167 HydrophobicContact CG2-CG 3.78Å; S165-K167 PolarHBondContact O-N 2.96Å; S165-K167 VanDerWaalsContact O-N 3.07Å; S165-K167 PolarHBondContact OG-N 2.91Å
168Y72.9Confident69.9Low196 Ų19689.9 Ų89.977%0.76948%0.479SS*.G310 helixtrans-102.21.2-175.9-52.1-68.5000112.7S165 S166 S170S165-Y168 PolarHBondContact O-N 2.79Å; S165-Y168 VanDerWaalsContact O-N 3.11Å; S166-Y168 PolarHBondContact O-N 3.45Å; Y168-S170 PolarHBondContact O-N 3.29Å
169A66.4Low69.4Low20 Ų2094.1 Ų94.117%0.16550%0.499CS..SBendtrans-78.468.6176.600000111.7Y117 W164 S166 N171Y117-A169 WeakPolarHBondContact OH-CB 3.11Å; W164-A169 HydrophobicContact CZ2-CB 4.17Å; S166-A169 WeakPolarHBondContact O-CB 3.03Å; S166-A169 PolarHBondContact O-N 3.25Å; A169-N171 PolarHBondContact O-N 2.83Å
170S52.8Low69.4Low96 Ų9690.5 Ų90.567%0.67148%0.479SS*.  trans24.686.9166.4640000118.3Y168 N172Y168-S170 PolarHBondContact O-N 3.29Å; S170-N172 VanDerWaalsContact C-N 3.29Å; S170-N172 PolarHBondContact O-N 3.23Å
171N48.3Very low69.3Low167 Ų16789.9 Ų89.989%0.89348%0.478SS*.SBendtrans56.6-12.5140.7-62.90.4000122.4A169A169-N171 PolarHBondContact O-N 2.83Å
172N44.9Very low69.3Low140 Ų14091 Ų9175%0.74949%0.485SS*.  trans-109.51.1-174.6-91.6-3.3000115.2S170 I174S170-N172 VanDerWaalsContact C-N 3.29Å; S170-N172 PolarHBondContact O-N 3.23Å; N172-I174 PolarHBondContact O-N 2.72Å; N172-I174 VanDerWaalsContact O-N 3.08Å
173V46.4Very low69.3Low63 Ų6385.5 Ų85.538%0.38246%0.456SS..THydrogen-bonded Turntrans-84.528.2-173.1-155.10000113.3F119F119-V173 HydrophobicContact CD2-CG1 3.74Å; F119-V173 HydrophobicContact CE2-CG1 4.17Å
174I47.8Very low69.3Low122 Ų12287.5 Ų87.563%0.62646%0.463SS*.THydrogen-bonded Turntrans-135.622.8175-28.1179.7000112.2N172N172-I174 PolarHBondContact O-N 2.72Å; N172-I174 VanDerWaalsContact O-N 3.08Å
175S42.4Very low69.3Low70 Ų7085.6 Ų85.649%0.4946%0.456SS..SBendtrans-72.1148.715052.60000108.7D177S175-D177 PolarHBondContact O-N 2.83Å
176N47.2Very low69.3Low135 Ų13588.5 Ų88.572%0.72247%0.471SS*.SBendtrans-75.221.5-174.9-70.5-62.4000114.1
177D50.7Low69.2Low118 Ų11888 Ų8863%0.63147%0.467SS*.SBendtrans-106151.5-166.1-89.8-56.2000114.8S175 L179S175-D177 PolarHBondContact O-N 2.83Å; D177-L179 HydrophobicContact CB-CD1 4.45Å; D177-L179 HydrophobicContact CB-CG 4.36Å; D177-L179 PolarHBondContact O-N 2.97Å
178V62.2Low68.7Low97 Ų9785 Ų8559%0.58846%0.462SS*.  trans-80.836.4-165.8164.30000112.3R118R118-V178 WeakPolarHBondContact CD-O 3.46Å; R118-V178 PolarHBondContact NE-O 2.92Å
179L75.7Confident68.2Low122 Ų12279.4 Ų79.464%0.63945%0.449SS*.  trans-85.4132.5-171.4-66172.5000113D177D177-L179 HydrophobicContact CB-CD1 4.45Å; D177-L179 HydrophobicContact CB-CG 4.36Å; D177-L179 PolarHBondContact O-N 2.97Å
180W84.7Confident67.6Low68 Ų6883.8 Ų83.826%0.25848%0.478SS..  trans-77.8133.8167.6-73.196.7000110.4L52 V67 M116 Y117 R118 C216 D218L52-W180 HydrophobicContact CD2-CZ2 3.88Å; V67-W180 HydrophobicContact CB-CH2 4.08Å; V67-W180 HydrophobicContact CB-CZ2 4.41Å; V67-W180 HydrophobicContact CG1-CH2 4.01Å; V67-W180 HydrophobicContact CG1-CZ2 4Å; V67-W180 HydrophobicContact CG2-CH2 4.29Å; V67-W180 HydrophobicContact CG2-CZ2 4.37Å; M116-W180 HydrophobicContact CB-CE3 3.88Å; M116-W180 HydrophobicContact CB-CZ3 4.31Å; M116-W180 HydrophobicContact CE-CB 3.73Å; M116-W180 HydrophobicContact CE-CD2 4.37Å; M116-W180 HydrophobicContact CE-CG 4.02Å; Y117-W180 VanDerWaalsContact C-CE3 3.45Å; R118-W180 HydrophobicContact CB-CD2 3.79Å; R118-W180 HydrophobicContact CB-CE3 3.65Å; R118-W180 HydrophobicContact CB-CG 4.34Å; R118-W180 HydrophobicContact CB-CH2 4.4Å; R118-W180 HydrophobicContact CB-CZ3 3.98Å; W180-C216 HydrophobicContact CH2-CB 4.01Å; W180-D218 HydrophobicContact CH2-CB 3.67Å; W180-D218 HydrophobicContact CZ2-CB 4.43Å; W180-D218 HydrophobicContact CZ3-CB 3.77Å
181S86.9Confident67.8Low35 Ų3583 Ų8325%0.24547%0.472CS..EExtended strand (participates in β ladder)trans-105.3155.2170.6-63.80000109.8M116 Y117M116-S181 CarbonylContact C-O 3.52Å; M116-S181 WeakPolarHBondContact CA-O 3.48Å; Y117-S181 PolarHBondContact N-O 3.22Å; Y117-S181 PolarHBondContact O-N 2.72Å
182V89.7Confident68.4Low87 Ų8776.5 Ų76.553%0.52744%0.437SS..EExtended strand (participates in β ladder)trans-117.3127.9179-170.60000109.4M116M116-V182 HydrophobicContact CG-CG2 4.27Å
183A90.9Very high69.1Low3 Ų373.1 Ų73.13%0.02543%0.425CS..EExtended strand (participates in β ladder)trans-98.7144.1167.900000110.1S114 F115 Y117 W164 I185S114-A183 VanDerWaalsContact CA-O 3.23Å; S114-A183 WeakPolarHBondContact CA-O 3.4Å; S114-A183 PolarHBondContact OG-O 3.1Å; F115-A183 HydrophobicContact CD1-CB 4.39Å; F115-A183 HydrophobicContact CD2-CB 4.19Å; F115-A183 HydrophobicContact CE1-CB 3.99Å; F115-A183 HydrophobicContact CE2-CB 3.75Å; F115-A183 HydrophobicContact CG-CB 4.48Å; F115-A183 HydrophobicContact CZ-CB 3.65Å; F115-A183 PolarHBondContact N-O 3.15Å; F115-A183 VanDerWaalsContact N-O 3.12Å; F115-A183 PolarHBondContact O-N 2.86Å; Y117-A183 HydrophobicContact CD1-CB 4.24Å; Y117-A183 HydrophobicContact CE1-CB 4.06Å; W164-A183 HydrophobicContact CD2-CB 4.46Å; W164-A183 HydrophobicContact CH2-CB 4.3Å; W164-A183 HydrophobicContact CZ2-CB 3.92Å; A183-I185 HydrophobicContact CB-CD1 3.79Å
184K91.4Very high69.8Low90 Ų9074.2 Ų74.239%0.39144%0.435SS..EExtended strand (participates in β ladder)trans-131.4129167.7-69.5-179.1178.7178.80107.4L113 C227L113-K184 CarbonylContact O-C 3.59Å; L113-K184 WeakPolarHBondContact O-CA 3.44Å; K184-C227 HydrophobicContact CB-CB 4.27Å
185I92Very high70.3Confident10 Ų1075.1 Ų75.15%0.05144%0.442CS..EExtended strand (participates in β ladder)trans-133.7119.7-172.9-52.587.3000109.9C112 L113 F115 L135 L163 W164 A183 L187 C227C112-I185 WeakPolarHBondContact CA-O 3.48Å; L113-I185 PolarHBondContact N-O 2.96Å; L113-I185 PolarHBondContact O-N 2.85Å; F115-I185 HydrophobicContact CD1-CD1 4.08Å; F115-I185 HydrophobicContact CE1-CD1 3.5Å; F115-I185 VanDerWaalsContact CE1-CD1 3.5Å; F115-I185 HydrophobicContact CZ-CD1 4.24Å; L135-I185 HydrophobicContact CD2-CB 4.15Å; L135-I185 HydrophobicContact CD2-CD1 3.99Å; L135-I185 HydrophobicContact CD2-CG1 3.9Å; L135-I185 HydrophobicContact CD2-CG2 4.14Å; L163-I185 HydrophobicContact CB-CG2 4.09Å; W164-I185 HydrophobicContact CB-CG1 3.78Å; W164-I185 HydrophobicContact CG-CG1 4.02Å; A183-I185 HydrophobicContact CB-CD1 3.79Å; I185-L187 PolarHBondContact O-N 3.23Å; I185-C227 PolarHBondContact N-SG 3.31Å; I185-C227 PolarHBondContact O-SG 3.11Å; I185-C227 VanDerWaalsContact O-SG 3.35Å
186D90.2Very high71.9Confident73 Ų7374.2 Ų74.239%0.3943%0.43SS..EExtended strand (participates in β ladder)trans-73.5112.3175.3-78.7-67.5000111.1K111 S188 C227K111-D186 CarbonylContact O-C 3.57Å; K111-D186 WeakPolarHBondContact O-CA 3.36Å; D186-S188 VanDerWaalsContact C-N 3.28Å; D186-S188 PolarHBondContact O-N 2.91Å; D186-C227 PolarHBondContact N-SG 3.24Å; D186-C227 WeakPolarHBondContact OD1-CB 3.29Å; D186-C227 PolarHBondContact OD1-N 3Å; D186-C227 WeakPolarHBondContact OD2-CB 3.25Å
187L87.3Confident73.7Confident6 Ų669.2 Ų69.23%0.03141%0.406CS..  trans-81.773.8175.9-60.7-174.1000109.9I110 K111 L113 L163 I185 T189 L200I110-L187 HydrophobicContact CG2-CD1 4Å; K111-L187 PolarHBondContact O-N 3.13Å; L113-L187 HydrophobicContact CB-CD1 4.25Å; L113-L187 HydrophobicContact CB-CG 4.41Å; L163-L187 HydrophobicContact CD1-CD2 3.68Å; I185-L187 PolarHBondContact O-N 3.23Å; L187-T189 PolarHBondContact O-N 3.34Å; L187-L200 HydrophobicContact CD1-CD1 4.14Å; L187-L200 HydrophobicContact CD2-CD2 4.07Å
188S71.6Confident75.6Confident67 Ų6764 Ų6447%0.46938%0.378SS..  trans-66115.2-179.956.80000112.4R137 D186 S190R137-S188 PolarHBondContact NH1-O 3.47Å; D186-S188 VanDerWaalsContact C-N 3.28Å; D186-S188 PolarHBondContact O-N 2.91Å; S188-S190 VanDerWaalsContact C-N 3.27Å; S188-S190 PolarHBondContact O-N 3.01Å
189T62.8Low77Confident78 Ų7862.1 Ų62.148%0.47936%0.362SS..G310 helixtrans-75-13177.751.60000113.5L187 S191 I192L187-T189 PolarHBondContact O-N 3.34Å; T189-S191 PolarHBondContact O-N 2.81Å; T189-I192 PolarHBondContact O-N 2.75Å
190S54.1Low77.8Confident113 Ų11356.3 Ų56.379%0.7933%0.331SS*.G310 helixtrans-61.4-6.3-174.254.30000116.2S188S188-S190 VanDerWaalsContact C-N 3.27Å; S188-S190 PolarHBondContact O-N 3.01Å
191S56.6Low78.3Confident78 Ų7853.1 Ų53.155%0.54532%0.319SS..G310 helixtrans-111.7-0.817649.50000113.8R137 T189R137-S191 PolarHBondContact NH2-OG 3.33Å; T189-S191 PolarHBondContact O-N 2.81Å
192I61.2Low78.7Confident31 Ų3151.5 Ų51.516%0.15931%0.308CS..SBendtrans-117.1120.3-175.9-53.4178000107.9T189 I196 Y198T189-I192 PolarHBondContact O-N 2.75Å; I192-I196 HydrophobicContact CG2-CB 3.91Å; I192-I196 HydrophobicContact CG2-CG2 4.23Å; I192-Y198 HydrophobicContact CD1-CD1 3.55Å; I192-Y198 HydrophobicContact CD1-CE1 3.69Å; I192-Y198 HydrophobicContact CD1-CG 4.2Å
193S59.7Low78.9Confident69 Ų6948.2 Ų48.248%0.48329%0.287SS..  trans-63.7139.6165.950.60000109.5D195 I196S193-D195 PolarHBondContact O-N 2.97Å; S193-I196 PolarHBondContact O-N 3.3Å; S193-I196 VanDerWaalsContact OG-CD1 3.23Å; S193-I196 WeakPolarHBondContact OG-CD1 3.44Å; S193-I196 WeakPolarHBondContact OG-CG1 3.39Å
194S60.5Low79Confident86 Ų8648 Ų4860%0.60129%0.285SS*.THydrogen-bonded Turntrans-40.5-35-174.341.50000115.7A106 I196A106-S194 WeakPolarHBondContact CB-O 3.43Å; S194-I196 PolarHBondContact O-N 3.13Å
195D59.2Low78.9Confident142 Ų14244.6 Ų44.676%0.75927%0.272SS*.THydrogen-bonded Turntrans-87.9-1.6-168.2-44.4-6.8000113.1S193S193-D195 PolarHBondContact O-N 2.97Å
196I74.6Confident78.5Confident50 Ų5044.1 Ų44.126%0.25627%0.27SS..  trans-98.6113.4-177.4-66.4179.3000111.5I192 S193 S194I192-I196 HydrophobicContact CG2-CB 3.91Å; I192-I196 HydrophobicContact CG2-CG2 4.23Å; S193-I196 PolarHBondContact O-N 3.3Å; S193-I196 VanDerWaalsContact OG-CD1 3.23Å; S193-I196 WeakPolarHBondContact OG-CD1 3.44Å; S193-I196 WeakPolarHBondContact OG-CG1 3.39Å; S194-I196 PolarHBondContact O-N 3.13Å
197S86.2Confident78.1Confident31 Ų3140.8 Ų40.822%0.21725%0.252CS..  trans-63.4143.7164.249.20000112.1I104 E140I104-S197 WeakPolarHBondContact O-CA 3.35Å; E140-S197 PolarHBondContact N-O 3.27Å; E140-S197 VanDerWaalsContact N-O 3.13Å; E140-S197 PolarHBondContact OE2-OG 3.43Å
198Y89.1Confident77.5Confident9 Ų942.1 Ų42.14%0.03526%0.264CS..EExtended strand (participates in β ladder)trans-138.2157.1170.669.9-89000112.5I104 R137 R138 I192 L200I104-Y198 HydrophobicContact CB-CD1 4.42Å; I104-Y198 HydrophobicContact CB-CD2 4.29Å; I104-Y198 HydrophobicContact CB-CE1 4.07Å; I104-Y198 HydrophobicContact CB-CE2 3.92Å; I104-Y198 HydrophobicContact CD1-CD2 4.15Å; I104-Y198 HydrophobicContact CD1-CE2 3.54Å; I104-Y198 HydrophobicContact CG1-CE2 4.35Å; I104-Y198 HydrophobicContact CG2-CE1 3.85Å; I104-Y198 HydrophobicContact CG2-CE2 4.15Å; I104-Y198 WeakPolarHBondContact CG2-OH 3.3Å; I104-Y198 PolarHBondContact N-O 3.11Å; I104-Y198 PolarHBondContact O-N 3.38Å; R137-Y198 HydrophobicContact CG-CD2 3.67Å; R137-Y198 HydrophobicContact CG-CE2 4.38Å; R137-Y198 HydrophobicContact CG-CG 4.09Å; R138-Y198 CarbonylContact O-C 3.58Å; R138-Y198 VanDerWaalsContact O-CA 3.24Å; R138-Y198 WeakPolarHBondContact O-CA 3.45Å; R138-Y198 WeakPolarHBondContact O-CB 3.36Å; I192-Y198 HydrophobicContact CD1-CD1 3.55Å; I192-Y198 HydrophobicContact CD1-CE1 3.69Å; I192-Y198 HydrophobicContact CD1-CG 4.2Å; Y198-L200 HydrophobicContact CD2-CD2 4.49Å; Y198-L200 HydrophobicContact CE2-CD2 4.19Å; Y198-L200 HydrophobicContact CE2-CG 4.33Å
199K92.1Very high77.5Confident57 Ų5741.1 Ų41.125%0.24826%0.264CS..EExtended strand (participates in β ladder)trans-121.4142.4174-70.3165.3-177.9155.30109.5I100 P103 R138 E140I100-K199 HydrophobicContact CG2-CB 3.91Å; I100-K199 HydrophobicContact CG2-CD 4.2Å; I100-K199 HydrophobicContact CG2-CG 4.45Å; P103-K199 HydrophobicContact CB-CG 4.46Å; R138-K199 PolarHBondContact N-O 3.06Å; R138-K199 PolarHBondContact O-N 3.08Å; E140-K199 WeakPolarHBondContact OE1-CE 3.29Å; E140-K199 IonicContact OE1-NZ 3.16Å; E140-K199 PolarHBondContact OE1-NZ 3.14Å
200L93.5Very high78.1Confident0 Ų041.2 Ų41.20%026%0.256CS..EExtended strand (participates in β ladder)trans-88.2147.7171.2-64.1170.9000109.1L24 W36 I100 S101 I104 L113 L135 L136 L163 L187 Y198L24-L200 HydrophobicContact CD2-CD1 4.3Å; W36-L200 HydrophobicContact CH2-CB 4.12Å; W36-L200 HydrophobicContact CZ3-CB 4.49Å; I100-L200 CarbonylContact C-O 3.51Å; I100-L200 WeakPolarHBondContact CA-O 3.38Å; S101-L200 PolarHBondContact N-O 3.41Å; S101-L200 PolarHBondContact OG-N 3.37Å; I104-L200 HydrophobicContact CD1-CD1 3.56Å; I104-L200 HydrophobicContact CD1-CG 3.69Å; L113-L200 HydrophobicContact CD1-CD1 4.31Å; L113-L200 HydrophobicContact CD2-CD1 4.1Å; L135-L200 HydrophobicContact CD1-CB 4.37Å; L136-L200 CarbonylContact O-C 3.55Å; L136-L200 WeakPolarHBondContact O-CA 3.42Å; L163-L200 HydrophobicContact CD1-CD2 3.73Å; L187-L200 HydrophobicContact CD1-CD1 4.14Å; L187-L200 HydrophobicContact CD2-CD2 4.07Å; Y198-L200 HydrophobicContact CD2-CD2 4.49Å; Y198-L200 HydrophobicContact CE2-CD2 4.19Å; Y198-L200 HydrophobicContact CE2-CG 4.33Å
201I94.3Very high79.2Confident0 Ų036.5 Ų36.50%022%0.223CC..EExtended strand (participates in β ladder)trans-133.2120.1179.2-50.4178.8000108.4R98 I99 I100 L135 L136 R138R98-I201 HydrophobicContact CB-CG2 3.89Å; R98-I201 HydrophobicContact CG-CG2 3.84Å; I99-I201 WeakPolarHBondContact O-CA 3.37Å; I100-I201 HydrophobicContact CG1-CG1 4.25Å; I100-I201 HydrophobicContact CG1-CG2 4.34Å; I100-I201 HydrophobicContact CG2-CG1 4.3Å; L135-I201 WeakPolarHBondContact CA-O 3.43Å; L136-I201 HydrophobicContact CB-CB 4.18Å; L136-I201 PolarHBondContact N-O 3.28Å; L136-I201 PolarHBondContact O-N 3.4Å; R138-I201 HydrophobicContact CB-CD1 4.07Å; R138-I201 VanDerWaalsContact CZ-CD1 3.48Å
202L95.3Very high80.2Confident1 Ų135.8 Ų35.81%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-89.3112.5168-77.1166.9000108.2W36 W47 R98 I99 F115 L133 L135 V217 I220W36-L202 HydrophobicContact CH2-CD1 4.22Å; W36-L202 HydrophobicContact CZ3-CD1 3.94Å; W36-L202 HydrophobicContact CZ3-CG 4.13Å; W47-L202 HydrophobicContact CZ2-CB 4.46Å; W47-L202 PolarHBondContact NE1-O 3.42Å; R98-L202 WeakPolarHBondContact CA-O 3.2Å; I99-L202 HydrophobicContact CG2-CB 3.82Å; I99-L202 PolarHBondContact N-O 2.77Å; I99-L202 VanDerWaalsContact N-O 3.07Å; I99-L202 PolarHBondContact O-N 3.09Å; F115-L202 HydrophobicContact CD1-CD2 4.42Å; F115-L202 HydrophobicContact CE1-CD2 3.93Å; F115-L202 HydrophobicContact CE2-CD2 4.35Å; F115-L202 HydrophobicContact CZ-CD2 3.9Å; L133-L202 HydrophobicContact CD1-CD2 4.34Å; L135-L202 HydrophobicContact CD1-CD2 3.76Å; L135-L202 HydrophobicContact CD1-CG 4.05Å; L202-V217 HydrophobicContact CD1-CG1 4.18Å; L202-I220 HydrophobicContact CD1-CD1 3.76Å
203E94.4Very high81.2Confident18 Ų1834.4 Ų34.48%0.08421%0.206CC..EExtended strand (participates in β ladder)trans-110.5106-175.6-177-175.977.600110.4V96 V97 R98 L133 N134 L136V96-E203 HydrophobicContact CG1-CG 3.45Å; V96-E203 VanDerWaalsContact CG1-CG 3.45Å; V97-E203 CarbonylContact O-C 3.52Å; V97-E203 WeakPolarHBondContact O-CA 3.11Å; R98-E203 HydrophobicContact CG-CB 4.06Å; R98-E203 HydrophobicContact CG-CG 3.88Å; R98-E203 IonicContact CZ-OE2 2.72Å; R98-E203 IonicContact NE-OE2 3.9Å; R98-E203 PolarHBondContact NE-OE2 3.3Å; R98-E203 IonicContact NH2-OE2 2.68Å; R98-E203 PolarHBondContact NH2-OE2 3.43Å; L133-E203 WeakPolarHBondContact CA-O 3.44Å; N134-E203 HydrophobicContact CB-CB 4.26Å; N134-E203 PolarHBondContact N-O 3.03Å; N134-E203 PolarHBondContact ND2-OE1 3.27Å; N134-E203 PolarHBondContact O-N 3.36Å; L136-E203 HydrophobicContact CD1-CB 4.23Å; L136-E203 HydrophobicContact CG-CB 4.47Å
204G92Very high82.5Confident0 Ų034 Ų340%019%0.194CC..EExtended strand (participates in β ladder)trans-94124.8173.500000111.2V96 V97V96-G204 CarbonylContact C-O 3.58Å; V97-G204 PolarHBondContact N-O 2.94Å; V97-G204 PolarHBondContact O-N 2.92Å
205T89.5Confident83.9Confident18 Ų1829.9 Ų29.911%0.1117%0.165CC..EExtended strand (participates in β ladder)trans-99.4111.5173.2-57.60000109.7N94 V96 S130 V132N94-T205 HydrophobicContact CB-CG2 3.64Å; V96-T205 HydrophobicContact CG2-CG2 4.44Å; S130-T205 WeakPolarHBondContact O-CB 3.12Å; S130-T205 WeakPolarHBondContact O-CG2 3.44Å; V132-T205 PolarHBondContact N-O 3.07Å; V132-T205 PolarHBondContact O-N 3.18Å
206I85.5Confident85.4Confident0 Ų023.1 Ų23.10%013%0.129CC..EExtended strand (participates in β ladder)trans-86.4120.8172.7-42.8175.7000108.8A45 F72 N94 S95 V97A45-I206 HydrophobicContact CB-CD1 4.04Å; F72-I206 HydrophobicContact CD2-CD1 4.06Å; F72-I206 HydrophobicContact CE2-CB 4.13Å; F72-I206 HydrophobicContact CE2-CD1 3.87Å; F72-I206 HydrophobicContact CE2-CG2 3.71Å; F72-I206 HydrophobicContact CZ-CB 4.39Å; F72-I206 HydrophobicContact CZ-CD1 4.36Å; F72-I206 HydrophobicContact CZ-CG2 4.38Å; N94-I206 CarbonylContact C-O 3.53Å; N94-I206 WeakPolarHBondContact CA-O 3.47Å; S95-I206 PolarHBondContact N-O 3.46Å; S95-I206 PolarHBondContact O-N 3.48Å; V97-I206 HydrophobicContact CG2-CD1 3.95Å; V97-I206 HydrophobicContact CG2-CG1 4.17Å
207P80.3Confident86.3Confident2 Ų220.8 Ų20.81%0.01312%0.117CC..PPolyproline II helixtrans-66.3143-176.226.3-37000112.9N94 F125 S130 F131 Y210N94-P207 VanDerWaalsContact OD1-CA 3.3Å; N94-P207 WeakPolarHBondContact OD1-CA 3.23Å; F125-P207 HydrophobicContact CE1-CB 4.3Å; F125-P207 HydrophobicContact CE1-CG 3.67Å; F125-P207 HydrophobicContact CZ-CB 4.2Å; F125-P207 HydrophobicContact CZ-CG 3.38Å; S130-P207 WeakPolarHBondContact OG-CB 3.43Å; F131-P207 HydrophobicContact CB-CG 3.99Å; F131-P207 HydrophobicContact CD2-CG 4.1Å; F131-P207 HydrophobicContact CG-CG 4.16Å; P207-Y210 HydrophobicContact CB-CD2 4.47Å; P207-Y210 HydrophobicContact CG-CD2 4.38Å; P207-Y210 PolarHBondContact O-N 3.5Å
208A75Confident86.6Confident35 Ų3519.6 Ų19.629%0.28911%0.108SC..THydrogen-bonded Turntrans-57.9144.117600000111.6N94 Y210N94-A208 PolarHBondContact OD1-N 2.9Å; A208-Y210 VanDerWaalsContact C-N 3.31Å; A208-Y210 WeakPolarHBondContact O-CD2 3.49Å; A208-Y210 PolarHBondContact O-N 3.36Å
209G71.2Confident86.7Confident46 Ų4622.5 Ų22.547%0.47413%0.125SC..THydrogen-bonded Turntrans85.3-17-177.900000115.6H84 P211H84-G209 PolarHBondContact CE1-O 3.46Å; G209-P211 VanDerWaalsContact C-CD 3.45Å; G209-P211 WeakPolarHBondContact O-CD 3.43Å
210Y76.6Confident86.7Confident80 Ų8019.9 Ų19.931%0.31411%0.113SC..  trans-117.370.6-173.8-60.7-84.3000113.4F125 P207 A208 D212 A213F125-Y210 HydrophobicContact CD2-CD1 4.31Å; F125-Y210 HydrophobicContact CD2-CE1 4.21Å; F125-Y210 HydrophobicContact CE1-CD2 4.5Å; F125-Y210 AromaticContact CE2-CD1 3.44Å; F125-Y210 HydrophobicContact CE2-CD1 3.44Å; F125-Y210 VanDerWaalsContact CE2-CD1 3.44Å; F125-Y210 AromaticContact CE2-CD2 3.66Å; F125-Y210 HydrophobicContact CE2-CD2 3.66Å; F125-Y210 AromaticContact CE2-CE1 3.68Å; F125-Y210 HydrophobicContact CE2-CE1 3.68Å; F125-Y210 AromaticContact CE2-CE2 3.9Å; F125-Y210 HydrophobicContact CE2-CE2 3.9Å; F125-Y210 AromaticContact CE2-CG 3.4Å; F125-Y210 HydrophobicContact CE2-CG 3.4Å; F125-Y210 AromaticContact CE2-CZ 3.9Å; F125-Y210 HydrophobicContact CZ-CD1 4.11Å; F125-Y210 AromaticContact CZ-CD2 3.43Å; F125-Y210 HydrophobicContact CZ-CD2 3.43Å; F125-Y210 VanDerWaalsContact CZ-CD2 3.43Å; F125-Y210 HydrophobicContact CZ-CE1 4.41Å; F125-Y210 AromaticContact CZ-CE2 3.81Å; F125-Y210 HydrophobicContact CZ-CE2 3.81Å; F125-Y210 AromaticContact CZ-CG 3.58Å; F125-Y210 HydrophobicContact CZ-CG 3.58Å; P207-Y210 HydrophobicContact CB-CD2 4.47Å; P207-Y210 HydrophobicContact CG-CD2 4.38Å; P207-Y210 PolarHBondContact O-N 3.5Å; A208-Y210 VanDerWaalsContact C-N 3.31Å; A208-Y210 WeakPolarHBondContact O-CD2 3.49Å; A208-Y210 PolarHBondContact O-N 3.36Å; Y210-D212 PolarHBondContact O-N 3.43Å; Y210-A213 PolarHBondContact O-N 3.46Å
211P75.8Confident86.7Confident14 Ų1420.8 Ų20.89%0.09112%0.119CC..THydrogen-bonded Turntrans-70.90.5-175.732.6-38.5000115.1F72 K77 L80 R81 G209F72-P211 HydrophobicContact CD2-CB 4.08Å; F72-P211 HydrophobicContact CE2-CB 4.23Å; K77-P211 VanDerWaalsContact CE-O 3.22Å; K77-P211 WeakPolarHBondContact CE-O 3.41Å; K77-P211 HydrophobicContact CG-CB 4.47Å; K77-P211 PolarHBondContact NZ-O 2.79Å; L80-P211 HydrophobicContact CB-CB 4.4Å; L80-P211 HydrophobicContact CD1-CB 4.26Å; R81-P211 HydrophobicContact CG-CG 4.08Å; G209-P211 VanDerWaalsContact C-CD 3.45Å; G209-P211 WeakPolarHBondContact O-CD 3.43Å
212D78.9Confident86.5Confident62 Ų6220.8 Ų20.833%0.33212%0.119SC..THydrogen-bonded Turntrans-108.9-8.4177.2-78.7-71.6000113.3K77 R81 Y210K77-D212 WeakPolarHBondContact CE-OD1 3.49Å; K77-D212 VanDerWaalsContact NZ-CG 3.33Å; K77-D212 IonicContact NZ-OD1 2.66Å; K77-D212 PolarHBondContact NZ-OD1 3.02Å; K77-D212 IonicContact NZ-OD2 3.82Å; R81-D212 IonicContact NH1-OD1 3.42Å; R81-D212 PolarHBondContact NH1-OD1 2.88Å; R81-D212 IonicContact NH1-OD2 2.94Å; R81-D212 PolarHBondContact NH1-OD2 2.91Å; Y210-D212 PolarHBondContact O-N 3.43Å
213A81.1Confident86.2Confident2 Ų222.6 Ų22.62%0.01713%0.126CC..  trans-72.3142.4171.600000111.5E120 F131 Y210E120-A213 WeakPolarHBondContact O-CA 3.35Å; F131-A213 HydrophobicContact CE1-CB 4.38Å; F131-A213 HydrophobicContact CE2-CB 4.11Å; F131-A213 HydrophobicContact CZ-CB 3.83Å; Y210-A213 PolarHBondContact O-N 3.46Å
214R87.2Confident85.9Confident61 Ų6123 Ų2323%0.2313%0.13CC..EExtended strand (participates in β ladder)trans-140.1145.8-178.2-43-176.6-163.6-174.210.4112.3E120 F131E120-R214 HydrophobicContact CB-CB 4.13Å; E120-R214 HydrophobicContact CG-CB 4.46Å; E120-R214 PolarHBondContact N-O 2.84Å; E120-R214 PolarHBondContact O-N 2.84Å; F131-R214 WeakPolarHBondContact CZ-O 3.38Å
215I90.2Very high85.6Confident0 Ų026.7 Ų26.70%015%0.147CC..EExtended strand (participates in β ladder)trans-103.1125.3166.1-49.1178.6000106.3W47 C69 T70 F119 F131 V132 L133W47-I215 HydrophobicContact CH2-CB 4.34Å; W47-I215 HydrophobicContact CH2-CG2 4.2Å; W47-I215 WeakPolarHBondContact CZ3-O 3.44Å; C69-I215 CarbonylContact C-O 3.51Å; C69-I215 VanDerWaalsContact CA-O 3.26Å; C69-I215 WeakPolarHBondContact CA-O 3.23Å; T70-I215 HydrophobicContact CG2-CB 4.08Å; T70-I215 PolarHBondContact N-O 2.73Å; T70-I215 PolarHBondContact OG1-N 3.44Å; F119-I215 HydrophobicContact CD1-CD1 4.43Å; F119-I215 HydrophobicContact CD1-CG1 3.87Å; F119-I215 HydrophobicContact CD1-CG2 4.32Å; F119-I215 HydrophobicContact CE1-CB 4.44Å; F119-I215 HydrophobicContact CE1-CD1 3.84Å; F119-I215 HydrophobicContact CE1-CG1 3.75Å; F119-I215 HydrophobicContact CE1-CG2 4.02Å; F131-I215 HydrophobicContact CD2-CD1 4.22Å; F131-I215 HydrophobicContact CD2-CG1 4.03Å; F131-I215 HydrophobicContact CE2-CD1 4.16Å; F131-I215 HydrophobicContact CE2-CG1 3.49Å; F131-I215 VanDerWaalsContact CE2-CG1 3.49Å; F131-I215 HydrophobicContact CZ-CG1 4.21Å; V132-I215 WeakPolarHBondContact O-CD1 3.25Å; L133-I215 HydrophobicContact CB-CG2 4.15Å; L133-I215 HydrophobicContact CD1-CG2 4.32Å; L133-I215 HydrophobicContact CD2-CG2 4.12Å; L133-I215 HydrophobicContact CG-CG2 4.44Å
216C91.5Very high85.5Confident0 Ų028.4 Ų28.40%016%0.158CC..EExtended strand (participates in β ladder)trans-111.3139.5174.8-62.10000109.9V67 L68 C69 Y117 R118 W180V67-C216 HydrophobicContact CG2-CB 4.44Å; L68-C216 CarbonylContact O-C 3.57Å; L68-C216 WeakPolarHBondContact O-CA 3.27Å; C69-C216 HydrophobicContact CB-CB 4.14Å; C69-C216 WeakPolarHBondContact CB-SG 3.36Å; C69-C216 WeakPolarHBondContact SG-CB 3.36Å; C69-C216 CovalentContact SG-SG 2.05Å; C69-C216 PolarHBondContact SG-SG 2.82Å; Y117-C216 CarbonylContact C-O 3.53Å; Y117-C216 VanDerWaalsContact CA-O 3.27Å; Y117-C216 WeakPolarHBondContact CA-O 3.42Å; R118-C216 PolarHBondContact N-O 2.85Å; R118-C216 PolarHBondContact O-N 2.98Å; W180-C216 HydrophobicContact CH2-CB 4.01Å
217V93.1Very high85.7Confident0 Ų028.9 Ų28.90%016%0.162CC..EExtended strand (participates in β ladder)trans-128143.4178.4176.10000108.7W47 L68 F115 M116 L133 L202 I220W47-V217 HydrophobicContact CH2-CG2 3.72Å; W47-V217 HydrophobicContact CZ3-CB 4.24Å; W47-V217 HydrophobicContact CZ3-CG2 3.8Å; L68-V217 PolarHBondContact N-O 3.41Å; L68-V217 PolarHBondContact O-N 3.34Å; F115-V217 HydrophobicContact CB-CG1 4.33Å; F115-V217 HydrophobicContact CD2-CG1 4.21Å; M116-V217 CarbonylContact O-C 3.52Å; M116-V217 VanDerWaalsContact O-CA 3.29Å; M116-V217 WeakPolarHBondContact O-CA 3.39Å; L133-V217 HydrophobicContact CD2-CG2 3.73Å; L202-V217 HydrophobicContact CD1-CG1 4.18Å; V217-I220 HydrophobicContact CG1-CD1 4.25Å; V217-I220 HydrophobicContact CG1-CG1 4.11Å
218D91.5Very high85.9Confident6 Ų632.4 Ų32.43%0.03219%0.186CC..EExtended strand (participates in β ladder)trans-149.7162.5-177.6-178.637.7000110.7Q65 V67 M116 W180 I220Q65-D218 PolarHBondContact NE2-OD1 2.89Å; Q65-D218 PolarHBondContact NE2-OD2 2.93Å; V67-D218 HydrophobicContact CB-CB 4.24Å; V67-D218 HydrophobicContact CG1-CB 3.81Å; M116-D218 HydrophobicContact CB-CB 4.39Å; M116-D218 WeakPolarHBondContact CB-O 3.43Å; M116-D218 PolarHBondContact N-O 2.89Å; M116-D218 PolarHBondContact O-N 2.97Å; W180-D218 HydrophobicContact CH2-CB 3.67Å; W180-D218 HydrophobicContact CZ2-CB 4.43Å; W180-D218 HydrophobicContact CZ3-CB 3.77Å; D218-I220 PolarHBondContact O-N 2.86Å
219N90.9Very high86.3Confident71 Ų7132.3 Ų32.338%0.3819%0.185SC..EExtended strand (participates in β ladder)trans48.553.4170.5-167.326.8000113.5M116 T221M116-N219 HydrophobicContact CG-CB 4.21Å; M116-N219 HydrophobicContact SD-CB 4.09Å; N219-T221 PolarHBondContact O-N 2.83Å; N219-T221 PolarHBondContact O-OG1 2.86Å; N219-T221 PolarHBondContact OD1-OG1 3.45Å
220I93.5Very high86.5Confident2 Ų230.7 Ų30.71%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-67.2117.2171.1-56.9179.1000106.9S25 C26 F28 W36 L113 S114 F115 L202 V217 D218S25-I220 CarbonylContact C-O 3.58Å; S25-I220 WeakPolarHBondContact CA-O 3.37Å; S25-I220 WeakPolarHBondContact CB-O 3.25Å; C26-I220 HydrophobicContact CB-CB 4.46Å; C26-I220 PolarHBondContact N-O 3Å; C26-I220 PolarHBondContact O-N 3.24Å; F28-I220 HydrophobicContact CE2-CD1 4.32Å; F28-I220 HydrophobicContact CE2-CG1 4.41Å; F28-I220 HydrophobicContact CZ-CD1 3.85Å; F28-I220 HydrophobicContact CZ-CG1 4.41Å; W36-I220 HydrophobicContact CH2-CD1 4.48Å; W36-I220 HydrophobicContact CZ2-CD1 4.11Å; W36-I220 HydrophobicContact CZ2-CG2 3.94Å; L113-I220 HydrophobicContact CD1-CG2 4Å; S114-I220 CarbonylContact O-C 3.56Å; S114-I220 WeakPolarHBondContact O-CA 3.34Å; F115-I220 HydrophobicContact CB-CG1 4.01Å; L202-I220 HydrophobicContact CD1-CD1 3.76Å; V217-I220 HydrophobicContact CG1-CD1 4.25Å; V217-I220 HydrophobicContact CG1-CG1 4.11Å; D218-I220 PolarHBondContact O-N 2.86Å
221T92.6Very high86.2Confident18 Ų1833.4 Ų33.411%0.1118%0.181CC..EExtended strand (participates in β ladder)trans-125.7131.7178.9-46.90000109.7T20 S114 N219 Y223T20-T221 HydrophobicContact CG2-CG2 3.83Å; S114-T221 PolarHBondContact N-O 3.43Å; S114-T221 PolarHBondContact O-N 3.07Å; N219-T221 PolarHBondContact O-N 2.83Å; N219-T221 PolarHBondContact O-OG1 2.86Å; N219-T221 PolarHBondContact OD1-OG1 3.45Å; T221-Y223 HydrophobicContact CG2-CD1 4.42Å; T221-Y223 HydrophobicContact CG2-CE1 3.73Å; T221-Y223 HydrophobicContact CG2-CE2 3.86Å; T221-Y223 VanDerWaalsContact CG2-CZ 3.43Å; T221-Y223 WeakPolarHBondContact CG2-OH 3.39Å
222S91.1Very high85.2Confident0 Ų041.3 Ų41.30%021%0.214CC..EExtended strand (participates in β ladder)trans-108140.6175.192.90000111.3T20 N21 S25T20-S222 VanDerWaalsContact CA-O 3.29Å; T20-S222 WeakPolarHBondContact CA-O 3.43Å; N21-S222 WeakPolarHBondContact CB-OG 3.2Å; N21-S222 PolarHBondContact N-O 2.85Å; N21-S222 PolarHBondContact O-OG 3.48Å; S25-S222 PolarHBondContact OG-N 3.16Å
223Y89.4Confident84Confident39 Ų3941.8 Ų41.815%0.15323%0.227CC..EExtended strand (participates in β ladder)trans-129.8143.8-177.6-53-86.4000111.5L18 T20 K111 C112 T221 E225 L230L18-Y223 HydrophobicContact CD2-CD1 4.39Å; T20-Y223 HydrophobicContact CG2-CD1 3.95Å; T20-Y223 HydrophobicContact CG2-CE1 3.82Å; K111-Y223 PolarHBondContact N-O 2.87Å; C112-Y223 HydrophobicContact CB-CD2 4.28Å; C112-Y223 PolarHBondContact N-O 2.93Å; C112-Y223 VanDerWaalsContact N-O 3.15Å; C112-Y223 PolarHBondContact O-N 3.41Å; T221-Y223 HydrophobicContact CG2-CD1 4.42Å; T221-Y223 HydrophobicContact CG2-CE1 3.73Å; T221-Y223 HydrophobicContact CG2-CE2 3.86Å; T221-Y223 VanDerWaalsContact CG2-CZ 3.43Å; T221-Y223 WeakPolarHBondContact CG2-OH 3.39Å; Y223-E225 VanDerWaalsContact C-N 3.27Å; Y223-L230 HydrophobicContact CD1-CD1 4.31Å; Y223-L230 HydrophobicContact CD1-CD2 4.1Å; Y223-L230 HydrophobicContact CD2-CD1 3.47Å; Y223-L230 VanDerWaalsContact CD2-CD1 3.47Å; Y223-L230 HydrophobicContact CD2-CD2 4.28Å; Y223-L230 HydrophobicContact CE1-CD2 3.86Å; Y223-L230 HydrophobicContact CE2-CD1 3.89Å; Y223-L230 HydrophobicContact CE2-CD2 4.03Å; Y223-L230 HydrophobicContact CG-CD1 3.69Å; Y223-L230 HydrophobicContact CG-CD2 4.3Å
224T87.8Confident82.5Confident27 Ų2745.4 Ų45.417%0.16625%0.252CS..SBendtrans-78.2-10.417360.60000113V19 S109 K111V19-T224 HydrophobicContact CG1-CG2 4.33Å; V19-T224 PolarHBondContact O-N 3.45Å; V19-T224 PolarHBondContact O-OG1 3.48Å; V19-T224 VanDerWaalsContact O-OG1 3.11Å; S109-T224 WeakPolarHBondContact OG-CG2 3.41Å; K111-T224 VanDerWaalsContact CD-O 3.32Å; K111-T224 WeakPolarHBondContact CD-O 3.5Å; K111-T224 PolarHBondContact NZ-O 2.87Å
225E85.2Confident80.5Confident78 Ų7845.2 Ų45.236%0.36426%0.263SS..SBendtrans-93.6151171.9-70.2-167.5-170.700112.4L18 C112 Y223 A229L18-E225 HydrophobicContact CD2-CB 4.09Å; L18-E225 HydrophobicContact CD2-CG 4.11Å; L18-E225 WeakPolarHBondContact CD2-OE2 3.02Å; C112-E225 WeakPolarHBondContact CB-O 3.23Å; C112-E225 PolarHBondContact N-O 3.41Å; Y223-E225 VanDerWaalsContact C-N 3.27Å; E225-A229 HydrophobicContact CB-CB 4.28Å; E225-A229 VanDerWaalsContact OE2-CB 3.26Å; E225-A229 WeakPolarHBondContact OE2-CB 3.42Å
226P86.8Confident78.2Confident54 Ų5451 Ų5135%0.35130%0.301SS..  trans-69.1154.5172.731.6-36.1000111.7S228 A229P226-S228 PolarHBondContact O-N 2.88Å; P226-S228 VanDerWaalsContact O-N 3.13Å; P226-A229 HydrophobicContact CG-CB 4.37Å; P226-A229 WeakPolarHBondContact O-CB 2.99Å; P226-A229 PolarHBondContact O-N 3.5Å
227C89.4Confident76.2Confident10 Ų1058.1 Ų58.17%0.06834%0.338CS..Hα-helixtrans-62.8-26-174.9-58.10000112.9C112 K184 I185 D186 A229 L230 E231C112-C227 HydrophobicContact CB-CB 4.06Å; C112-C227 WeakPolarHBondContact CB-SG 3.35Å; C112-C227 WeakPolarHBondContact SG-CA 3.3Å; C112-C227 WeakPolarHBondContact SG-CB 3.3Å; C112-C227 CovalentContact SG-SG 2.04Å; C112-C227 PolarHBondContact SG-SG 2.86Å; K184-C227 HydrophobicContact CB-CB 4.27Å; I185-C227 PolarHBondContact N-SG 3.31Å; I185-C227 PolarHBondContact O-SG 3.11Å; I185-C227 VanDerWaalsContact O-SG 3.35Å; D186-C227 PolarHBondContact N-SG 3.24Å; D186-C227 WeakPolarHBondContact OD1-CB 3.29Å; D186-C227 PolarHBondContact OD1-N 3Å; D186-C227 WeakPolarHBondContact OD2-CB 3.25Å; C227-A229 VanDerWaalsContact C-N 3.27Å; C227-A229 PolarHBondContact O-N 3.35Å; C227-L230 WeakPolarHBondContact O-CB 3.39Å; C227-L230 PolarHBondContact O-N 2.86Å; C227-E231 PolarHBondContact O-N 3.26Å
228S86.1Confident73.9Confident76 Ų7662.3 Ų62.353%0.53137%0.366SS..Hα-helixtrans-64.7-26.3174.1-33.60000113.6P226 K232P226-S228 PolarHBondContact O-N 2.88Å; P226-S228 VanDerWaalsContact O-N 3.13Å; S228-K232 PolarHBondContact O-N 3.47Å
229A81.5Confident72.1Confident33 Ų3368 Ų6827%0.27341%0.405SS..Hα-helixtrans-75.2-43.8173.600000110.8E225 P226 C227 E231 K232 A233E225-A229 HydrophobicContact CB-CB 4.28Å; E225-A229 VanDerWaalsContact OE2-CB 3.26Å; E225-A229 WeakPolarHBondContact OE2-CB 3.42Å; P226-A229 HydrophobicContact CG-CB 4.37Å; P226-A229 WeakPolarHBondContact O-CB 2.99Å; P226-A229 PolarHBondContact O-N 3.5Å; C227-A229 VanDerWaalsContact C-N 3.27Å; C227-A229 PolarHBondContact O-N 3.35Å; A229-E231 VanDerWaalsContact C-N 3.3Å; A229-E231 PolarHBondContact O-N 2.84Å; A229-K232 WeakPolarHBondContact O-CB 3.4Å; A229-K232 PolarHBondContact O-N 3.46Å; A229-K232 VanDerWaalsContact O-N 3.11Å; A229-A233 PolarHBondContact O-N 2.04Å
230L76.9Confident70.1Confident12 Ų1272.2 Ų72.26%0.06342%0.423CS..Hα-helixtrans-59.7-35.7173.4-78.3146.5000113L18 C112 Y223 C227 S234L18-L230 HydrophobicContact CD1-CD2 3.6Å; L18-L230 HydrophobicContact CD1-CG 4.44Å; L18-L230 HydrophobicContact CD2-CD2 3.86Å; L18-L230 HydrophobicContact CD2-CG 4Å; L18-L230 HydrophobicContact CG-CD2 4.37Å; C112-L230 HydrophobicContact CB-CD1 3.81Å; C112-L230 VanDerWaalsContact SG-CD1 3.57Å; Y223-L230 HydrophobicContact CD1-CD1 4.31Å; Y223-L230 HydrophobicContact CD1-CD2 4.1Å; Y223-L230 HydrophobicContact CD2-CD1 3.47Å; Y223-L230 VanDerWaalsContact CD2-CD1 3.47Å; Y223-L230 HydrophobicContact CD2-CD2 4.28Å; Y223-L230 HydrophobicContact CE1-CD2 3.86Å; Y223-L230 HydrophobicContact CE2-CD1 3.89Å; Y223-L230 HydrophobicContact CE2-CD2 4.03Å; Y223-L230 HydrophobicContact CG-CD1 3.69Å; Y223-L230 HydrophobicContact CG-CD2 4.3Å; C227-L230 WeakPolarHBondContact O-CB 3.39Å; C227-L230 PolarHBondContact O-N 2.86Å; L230-S234 PolarHBondContact O-N 3.37Å; L230-S234 PolarHBondContact O-OG 2.88Å
231E69.2Low68.6Low136 Ų13678.3 Ų78.364%0.63645%0.446SS*.Hα-helixtrans-62.5-47.7172.2-171.9-178.6176.700111.1C227 A229 A233 S234 A235C227-E231 PolarHBondContact O-N 3.26Å; A229-E231 VanDerWaalsContact C-N 3.3Å; A229-E231 PolarHBondContact O-N 2.84Å; E231-A233 PolarHBondContact O-N 3.17Å; E231-S234 WeakPolarHBondContact CA-OG 3.46Å; E231-S234 CarbonylContact O-C 3.51Å; E231-S234 WeakPolarHBondContact O-CA 3.45Å; E231-S234 PolarHBondContact O-N 2.87Å; E231-S234 PolarHBondContact O-OG 2.93Å; E231-A235 PolarHBondContact O-N 3.27Å
232K55.4Low67.6Low181 Ų18179.9 Ų79.979%0.78746%0.458SS*.Hα-helixtrans-64.7-26-178.8-159.6173.1-172.9175.60113.6S228 A229S228-K232 PolarHBondContact O-N 3.47Å; A229-K232 WeakPolarHBondContact O-CB 3.4Å; A229-K232 PolarHBondContact O-N 3.46Å; A229-K232 VanDerWaalsContact O-N 3.11Å
233A53.3Low66.7Low72 Ų7289.2 Ų89.260%0.59549%0.493SS*.Hα-helixtrans-77.1-25.6169.600000113.4A229 E231A229-A233 PolarHBondContact O-N 2.04Å; E231-A233 PolarHBondContact O-N 3.17Å
234S50.3Low65.9Low77 Ų7789.7 Ų89.754%0.53851%0.505SS..Hα-helixtrans-94.6-8.6-178.963.50000115.3L230 E231L230-S234 PolarHBondContact O-N 3.37Å; L230-S234 PolarHBondContact O-OG 2.88Å; E231-S234 WeakPolarHBondContact CA-OG 3.46Å; E231-S234 CarbonylContact O-C 3.51Å; E231-S234 WeakPolarHBondContact O-CA 3.45Å; E231-S234 PolarHBondContact O-N 2.87Å; E231-S234 PolarHBondContact O-OG 2.93Å
235A44.3Very low65.1Low57 Ų5793.1 Ų93.147%0.47152%0.52SS..SBendtrans-55.6135.8166.800000109.6E231 L237E231-A235 PolarHBondContact O-N 3.27Å; A235-L237 PolarHBondContact O-N 3.28Å
236P43.5Very low64.6Low122 Ų12295.8 Ų95.879%0.79253%0.527SS*.  trans-59.8117.1-177.624.4-33.5000109.2P238P236-P238 WeakPolarHBondContact O-CD 3.49Å
237L48.1Very low64.2Low149 Ų14999.8 Ų99.878%0.7854%0.539SS*.  trans-49.7114.6-179.2-75.7167.7000108.9A235 S239A235-L237 PolarHBondContact O-N 3.28Å; L237-S239 PolarHBondContact O-N 2.79Å; L237-S239 VanDerWaalsContact O-N 3.09Å
238P45Very low63.9Low89 Ų89100.9 Ų100.958%0.57855%0.553SS**  trans-62.1122177.825.6-32.8000107P236 Q240P236-P238 WeakPolarHBondContact O-CD 3.49Å; P238-Q240 HydrophobicContact CB-CG 4.09Å; P238-Q240 CarbonylContact O-C 3.57Å; P238-Q240 VanDerWaalsContact O-C 3.31Å; P238-Q240 PolarHBondContact O-N 3.03Å
239S53.1Low63.8Low124 Ų124101.6 Ų101.687%0.86755%0.55SS*.SBendtrans-63.2-11.3-170.749.20000113.8L237 W241L237-S239 PolarHBondContact O-N 2.79Å; L237-S239 VanDerWaalsContact O-N 3.09Å; S239-W241 PolarHBondContact O-N 2.89Å
240Q50.2Low63.9Low161 Ų161104.3 Ų104.375%0.75256%0.563SS**  trans-72.991.9157.757.8-178.327.900111.8P238 S242P238-Q240 HydrophobicContact CB-CG 4.09Å; P238-Q240 CarbonylContact O-C 3.57Å; P238-Q240 VanDerWaalsContact O-C 3.31Å; P238-Q240 PolarHBondContact O-N 3.03Å; Q240-S242 PolarHBondContact O-N 3.02Å
241W60.6Low64.2Low129 Ų129110.3 Ų110.349%0.48959%0.589SS.*  trans-55.8133.1151.8-72.975.7000108.4S239 Q245 Y246 L249S239-W241 PolarHBondContact O-N 2.89Å; W241-Q245 HydrophobicContact CE3-CB 4.07Å; W241-Y246 HydrophobicContact CB-CD2 3.97Å; W241-Y246 HydrophobicContact CB-CE2 3.44Å; W241-Y246 VanDerWaalsContact CB-CE2 3.44Å; W241-Y246 HydrophobicContact CG-CE2 4.16Å; W241-Y246 AromaticContact CG-CZ 4Å; W241-L249 HydrophobicContact CE3-CD1 4.4Å; W241-L249 HydrophobicContact CH2-CD1 4.2Å; W241-L249 HydrophobicContact CZ3-CD1 3.62Å
242S72.2Confident65.2Low52 Ų52107.6 Ų107.636%0.36458%0.581SS.*  trans-67.8146.6176.985.60000109.6Q240 A244 Q245 Y246Q240-S242 PolarHBondContact O-N 3.02Å; S242-A244 PolarHBondContact O-N 2.94Å; S242-Q245 WeakPolarHBondContact O-CB 3.47Å; S242-Q245 PolarHBondContact O-N 3.23Å; S242-Q245 WeakPolarHBondContact OG-CG 3.33Å; S242-Q245 PolarHBondContact OG-N 3.09Å; S242-Y246 PolarHBondContact O-N 2.85Å
243W72.6Confident66.7Low195 Ų195100.3 Ų100.374%0.73956%0.558SS**Hα-helixtrans-53.6-40.9177.363.6-89.3000110.7Q245 Y246 F247W243-Q245 VanDerWaalsContact C-N 3.3Å; W243-Q245 PolarHBondContact O-N 2.87Å; W243-Y246 WeakPolarHBondContact O-CB 3.16Å; W243-Y246 PolarHBondContact O-N 3Å; W243-Y246 VanDerWaalsContact O-N 3.09Å; W243-F247 AromaticContact CE3-CD2 3.66Å; W243-F247 HydrophobicContact CE3-CD2 3.66Å; W243-F247 AromaticContact CE3-CE2 3.95Å; W243-F247 HydrophobicContact CE3-CE2 3.95Å; W243-F247 HydrophobicContact CZ3-CD2 4.27Å; W243-F247 VanDerWaalsContact O-CD2 3.27Å; W243-F247 WeakPolarHBondContact O-CD2 3.25Å; W243-F247 PolarHBondContact O-N 3.13Å
244A73.2Confident68.3Low49 Ų4999.7 Ų99.741%0.40555%0.553SS.*Hα-helixtrans-60.6-32176.100000113.8S242 G248S242-A244 PolarHBondContact O-N 2.94Å; A244-G248 PolarHBondContact O-N 2.72Å
245Q71Confident70.2Confident100 Ų100100.4 Ų100.447%0.46755%0.55SS.*Hα-helixtrans-69.8-38.5173.2-73.3169-31.600112.1W241 S242 W243 G248 L249W241-Q245 HydrophobicContact CE3-CB 4.07Å; S242-Q245 WeakPolarHBondContact O-CB 3.47Å; S242-Q245 PolarHBondContact O-N 3.23Å; S242-Q245 WeakPolarHBondContact OG-CG 3.33Å; S242-Q245 PolarHBondContact OG-N 3.09Å; W243-Q245 VanDerWaalsContact C-N 3.3Å; W243-Q245 PolarHBondContact O-N 2.87Å; Q245-G248 PolarHBondContact O-N 2.93Å; Q245-L249 WeakPolarHBondContact O-CB 3.49Å; Q245-L249 PolarHBondContact O-N 3.04Å
246Y74.3Confident72.4Confident134 Ų134101.8 Ų101.853%0.52555%0.549SS..Hα-helixtrans-64.9-42.5172.3-79.4-61.8000112.1W241 S242 W243 T250W241-Y246 HydrophobicContact CB-CD2 3.97Å; W241-Y246 HydrophobicContact CB-CE2 3.44Å; W241-Y246 VanDerWaalsContact CB-CE2 3.44Å; W241-Y246 HydrophobicContact CG-CE2 4.16Å; W241-Y246 AromaticContact CG-CZ 4Å; S242-Y246 PolarHBondContact O-N 2.85Å; W243-Y246 WeakPolarHBondContact O-CB 3.16Å; W243-Y246 PolarHBondContact O-N 3Å; W243-Y246 VanDerWaalsContact O-N 3.09Å; Y246-T250 WeakPolarHBondContact O-CB 3.35Å; Y246-T250 WeakPolarHBondContact O-CG2 3.46Å; Y246-T250 PolarHBondContact O-N 2.87Å; Y246-T250 PolarHBondContact O-OG1 2.81Å
247F78.1Confident74.4Confident137 Ų137100.9 Ų100.960%0.60154%0.537SS*.Hα-helixtrans-64.9-39.1174.3-80.4-79.3000112.1W243 T250 F251W243-F247 AromaticContact CE3-CD2 3.66Å; W243-F247 HydrophobicContact CE3-CD2 3.66Å; W243-F247 AromaticContact CE3-CE2 3.95Å; W243-F247 HydrophobicContact CE3-CE2 3.95Å; W243-F247 HydrophobicContact CZ3-CD2 4.27Å; W243-F247 VanDerWaalsContact O-CD2 3.27Å; W243-F247 WeakPolarHBondContact O-CD2 3.25Å; W243-F247 PolarHBondContact O-N 3.13Å; F247-T250 WeakPolarHBondContact CA-OG1 3.43Å; F247-T250 PolarHBondContact O-OG1 3.26Å; F247-F251 WeakPolarHBondContact O-CB 3.31Å; F247-F251 PolarHBondContact O-N 3.4Å
248G83.3Confident76.4Confident34 Ų3496 Ų9635%0.35152%0.522SS..Hα-helixtrans-61.1-50.817400000112.8A244 Q245 F251 V252A244-G248 PolarHBondContact O-N 2.72Å; Q245-G248 PolarHBondContact O-N 2.93Å; G248-F251 PolarHBondContact O-N 2.89Å; G248-V252 WeakPolarHBondContact O-CB 3.47Å; G248-V252 WeakPolarHBondContact O-CG2 3.37Å; G248-V252 PolarHBondContact O-N 3.29Å
249L84Confident78.5Confident91 Ų9197.5 Ų97.548%0.47653%0.525SS..Hα-helixtrans-64.3-39.8178.2-91.4162.2000113W241 Q245 G253W241-L249 HydrophobicContact CE3-CD1 4.4Å; W241-L249 HydrophobicContact CH2-CD1 4.2Å; W241-L249 HydrophobicContact CZ3-CD1 3.62Å; Q245-L249 WeakPolarHBondContact O-CB 3.49Å; Q245-L249 PolarHBondContact O-N 3.04Å; L249-G253 PolarHBondContact O-N 2.92Å
250T83Confident80.2Confident90 Ų9095.8 Ų95.855%0.55251%0.506SS*.Hα-helixtrans-72.2-35.217750.50000112.4Y246 F247 A254Y246-T250 WeakPolarHBondContact O-CB 3.35Å; Y246-T250 WeakPolarHBondContact O-CG2 3.46Å; Y246-T250 PolarHBondContact O-N 2.87Å; Y246-T250 PolarHBondContact O-OG1 2.81Å; F247-T250 WeakPolarHBondContact CA-OG1 3.43Å; F247-T250 PolarHBondContact O-OG1 3.26Å; T250-A254 WeakPolarHBondContact O-CB 3.48Å; T250-A254 PolarHBondContact O-N 2.87Å
251F84.6Confident82Confident137 Ų13793.5 Ų93.560%0.60150%0.497SS*.Hα-helixtrans-67.1-45.9174.1-176.3-102.2000112.2F247 G248 A254 L255F247-F251 WeakPolarHBondContact O-CB 3.31Å; F247-F251 PolarHBondContact O-N 3.4Å; G248-F251 PolarHBondContact O-N 2.89Å; F251-A254 PolarHBondContact O-N 3.46Å; F251-L255 HydrophobicContact CD1-CD1 3.95Å; F251-L255 HydrophobicContact CE1-CD1 3.43Å; F251-L255 VanDerWaalsContact CE1-CD1 3.43Å; F251-L255 HydrophobicContact CE1-CG 4.31Å; F251-L255 HydrophobicContact CZ-CD1 3.89Å; F251-L255 HydrophobicContact CZ-CG 4.41Å; F251-L255 PolarHBondContact O-N 3.26Å
252V88.5Confident83.4Confident79 Ų7991 Ų9148%0.47950%0.497SS..Hα-helixtrans-64.2-43.1174.8172.30000110.9G248 A254 L255 I256G248-V252 WeakPolarHBondContact O-CB 3.47Å; G248-V252 WeakPolarHBondContact O-CG2 3.37Å; G248-V252 PolarHBondContact O-N 3.29Å; V252-A254 VanDerWaalsContact C-N 3.33Å; V252-A254 PolarHBondContact O-N 2.83Å; V252-L255 PolarHBondContact O-N 3.06Å; V252-I256 HydrophobicContact CG1-CD1 3.83Å; V252-I256 HydrophobicContact CG1-CG1 4.47Å; V252-I256 VanDerWaalsContact O-CG1 3.31Å; V252-I256 WeakPolarHBondContact O-CG1 3.41Å; V252-I256 PolarHBondContact O-N 2.9Å
253G87.7Confident84.2Confident29 Ų2992.7 Ų92.730%0.29951%0.506SS..Hα-helixtrans-61.2-38.8174.200000113.1L249 L257L249-G253 PolarHBondContact O-N 2.92Å; G253-L257 WeakPolarHBondContact O-CB 3.48Å; G253-L257 WeakPolarHBondContact O-CG 3.45Å; G253-L257 PolarHBondContact O-N 3.41Å
254A87.6Confident85Confident59 Ų5987.7 Ų87.749%0.48849%0.493SS..Hα-helixtrans-69.9-38175.800000112.7T250 F251 V252 G258T250-A254 WeakPolarHBondContact O-CB 3.48Å; T250-A254 PolarHBondContact O-N 2.87Å; F251-A254 PolarHBondContact O-N 3.46Å; V252-A254 VanDerWaalsContact C-N 3.33Å; V252-A254 PolarHBondContact O-N 2.83Å; A254-G258 WeakPolarHBondContact O-CA 3.34Å; A254-G258 PolarHBondContact O-N 3.12Å
255L89Confident85.8Confident91 Ų9191.6 Ų91.648%0.47650%0.501SS..Hα-helixtrans-64-45.5172.1-87.3171.4000111.8F251 V252 G258 L259F251-L255 HydrophobicContact CD1-CD1 3.95Å; F251-L255 HydrophobicContact CE1-CD1 3.43Å; F251-L255 VanDerWaalsContact CE1-CD1 3.43Å; F251-L255 HydrophobicContact CE1-CG 4.31Å; F251-L255 HydrophobicContact CZ-CD1 3.89Å; F251-L255 HydrophobicContact CZ-CG 4.41Å; F251-L255 PolarHBondContact O-N 3.26Å; V252-L255 PolarHBondContact O-N 3.06Å; L255-G258 PolarHBondContact O-N 3.29Å; L255-L259 PolarHBondContact O-N 2.85Å
256I90.1Very high86.6Confident87 Ų8791.6 Ų91.645%0.44650%0.504SS..Hα-helixtrans-61-50.4177.1-69167.8000109.9V252 G258 L259 L260V252-I256 HydrophobicContact CG1-CD1 3.83Å; V252-I256 HydrophobicContact CG1-CG1 4.47Å; V252-I256 VanDerWaalsContact O-CG1 3.31Å; V252-I256 WeakPolarHBondContact O-CG1 3.41Å; V252-I256 PolarHBondContact O-N 2.9Å; I256-G258 VanDerWaalsContact C-N 3.31Å; I256-G258 PolarHBondContact O-N 2.99Å; I256-L259 PolarHBondContact O-N 3.12Å; I256-L260 HydrophobicContact CG2-CD1 4.42Å; I256-L260 WeakPolarHBondContact O-CB 3.45Å; I256-L260 PolarHBondContact O-N 3.07Å
257L87.4Confident87.3Confident103 Ų10389.3 Ų89.354%0.53950%0.504SS..Hα-helixtrans-62.7-37.9176.4-71.9170.7000112.4G253 L259 L260 I261G253-L257 WeakPolarHBondContact O-CB 3.48Å; G253-L257 WeakPolarHBondContact O-CG 3.45Å; G253-L257 PolarHBondContact O-N 3.41Å; L257-L259 VanDerWaalsContact C-N 3.3Å; L257-L259 PolarHBondContact O-N 2.89Å; L257-L260 PolarHBondContact O-N 3.11Å; L257-I261 HydrophobicContact CB-CD1 4.43Å; L257-I261 WeakPolarHBondContact O-CB 3.18Å; L257-I261 VanDerWaalsContact O-CG1 3.26Å; L257-I261 WeakPolarHBondContact O-CG1 3.29Å; L257-I261 PolarHBondContact O-N 2.92Å
258G89.1Confident87.8Confident46 Ų4687 Ų8747%0.47450%0.496SS..Hα-helixtrans-66.9-24.6178.400000114.6A254 L255 I256 P262A254-G258 WeakPolarHBondContact O-CA 3.34Å; A254-G258 PolarHBondContact O-N 3.12Å; L255-G258 PolarHBondContact O-N 3.29Å; I256-G258 VanDerWaalsContact C-N 3.31Å; I256-G258 PolarHBondContact O-N 2.99Å; G258-P262 WeakPolarHBondContact O-CD 3.49Å; G258-P262 VanDerWaalsContact O-CG 3.22Å; G258-P262 WeakPolarHBondContact O-CG 3.4Å
259L89.1Confident88.1Confident121 Ų12189.4 Ų89.463%0.63450%0.501SS*.Hα-helixtrans-90.3-42.3169.9-79.6166.3000112.3L255 I256 L257 I261 P262 V263L255-L259 PolarHBondContact O-N 2.85Å; I256-L259 PolarHBondContact O-N 3.12Å; L257-L259 VanDerWaalsContact C-N 3.3Å; L257-L259 PolarHBondContact O-N 2.89Å; L259-I261 PolarHBondContact O-N 3.18Å; L259-P262 WeakPolarHBondContact O-CD 3.11Å; L259-V263 VanDerWaalsContact O-CG2 3.3Å; L259-V263 WeakPolarHBondContact O-CG2 3.27Å; L259-V263 PolarHBondContact O-N 2.97Å; L259-V263 VanDerWaalsContact O-N 3.14Å
260L89.6Confident88.3Confident88 Ų8890 Ų9046%0.46150%0.504SS..Hα-helixtrans-67.8-38.2-174.8-155.4168.8000111.2I256 L257 V263 L264I256-L260 HydrophobicContact CG2-CD1 4.42Å; I256-L260 WeakPolarHBondContact O-CB 3.45Å; I256-L260 PolarHBondContact O-N 3.07Å; L257-L260 PolarHBondContact O-N 3.11Å; L260-V263 PolarHBondContact O-N 2.9Å; L260-L264 HydrophobicContact CD2-CB 4.25Å; L260-L264 HydrophobicContact CD2-CD1 3.72Å; L260-L264 WeakPolarHBondContact O-CB 3.31Å; L260-L264 PolarHBondContact O-N 2.66Å
261I88.1Confident88.5Confident112 Ų11293.1 Ų93.157%0.57451%0.505SS*.Hα-helixtrans-63.1-52.2178.3-69.4166.3000112.2L257 L259 V263 L264 F265L257-I261 HydrophobicContact CB-CD1 4.43Å; L257-I261 WeakPolarHBondContact O-CB 3.18Å; L257-I261 VanDerWaalsContact O-CG1 3.26Å; L257-I261 WeakPolarHBondContact O-CG1 3.29Å; L257-I261 PolarHBondContact O-N 2.92Å; L259-I261 PolarHBondContact O-N 3.18Å; I261-V263 PolarHBondContact O-N 2.91Å; I261-L264 PolarHBondContact O-N 2.97Å; I261-F265 VanDerWaalsContact O-CB 3.32Å; I261-F265 WeakPolarHBondContact O-CB 3.43Å; I261-F265 PolarHBondContact O-N 3.39Å
262P89.4Confident88.5Confident76 Ų7688.5 Ų88.549%0.49449%0.492SS..Hα-helixtrans-58.8-43.1173.4-27.836000114.1G258 L259 F265 L266G258-P262 WeakPolarHBondContact O-CD 3.49Å; G258-P262 VanDerWaalsContact O-CG 3.22Å; G258-P262 WeakPolarHBondContact O-CG 3.4Å; L259-P262 WeakPolarHBondContact O-CD 3.11Å; P262-F265 PolarHBondContact O-N 2.75Å; P262-L266 VanDerWaalsContact O-CB 3.29Å; P262-L266 WeakPolarHBondContact O-CB 3.4Å; P262-L266 PolarHBondContact O-N 3.14Å
263V89.1Confident88.2Confident89 Ų8988.1 Ų88.154%0.53949%0.492SS..Hα-helixtrans-63.3-45.9179.3169.90000110.9L259 L260 I261 L266 V267L259-V263 VanDerWaalsContact O-CG2 3.3Å; L259-V263 WeakPolarHBondContact O-CG2 3.27Å; L259-V263 PolarHBondContact O-N 2.97Å; L259-V263 VanDerWaalsContact O-N 3.14Å; L260-V263 PolarHBondContact O-N 2.9Å; I261-V263 PolarHBondContact O-N 2.91Å; V263-L266 PolarHBondContact O-N 2.81Å; V263-V267 WeakPolarHBondContact O-CG2 3.26Å; V263-V267 PolarHBondContact O-N 2.04Å
264L89.4Confident87.9Confident89 Ų8994.7 Ų94.747%0.46651%0.508SS..Hα-helixtrans-68.6-36.6-179.7-156.3161.7000111.1L260 I261 V267 I268L260-L264 HydrophobicContact CD2-CB 4.25Å; L260-L264 HydrophobicContact CD2-CD1 3.72Å; L260-L264 WeakPolarHBondContact O-CB 3.31Å; L260-L264 PolarHBondContact O-N 2.66Å; I261-L264 PolarHBondContact O-N 2.97Å; L264-V267 PolarHBondContact O-N 3.37Å; L264-I268 HydrophobicContact CD2-CD1 3.49Å; L264-I268 VanDerWaalsContact CD2-CD1 3.49Å; L264-I268 HydrophobicContact CD2-CG1 4.08Å; L264-I268 WeakPolarHBondContact O-CB 3.11Å; L264-I268 WeakPolarHBondContact O-CG1 3.09Å; L264-I268 PolarHBondContact O-N 2.77Å
265F89.1Confident87.5Confident131 Ų13199.6 Ų99.658%0.57551%0.514SS*.Hα-helixtrans-62.8-42.5171-174-106000112.3I261 P262 I268 L269I261-F265 VanDerWaalsContact O-CB 3.32Å; I261-F265 WeakPolarHBondContact O-CB 3.43Å; I261-F265 PolarHBondContact O-N 3.39Å; P262-F265 PolarHBondContact O-N 2.75Å; F265-I268 PolarHBondContact O-N 3.07Å; F265-L269 HydrophobicContact CD1-CD1 3.9Å; F265-L269 HydrophobicContact CD1-CG 4.4Å; F265-L269 HydrophobicContact CE1-CD1 3.55Å; F265-L269 HydrophobicContact CE1-CG 4.16Å; F265-L269 HydrophobicContact CZ-CD1 4.19Å; F265-L269 HydrophobicContact CZ-CG 4.41Å; F265-L269 WeakPolarHBondContact O-CG 3.28Å; F265-L269 PolarHBondContact O-N 3.48Å
266L89Confident86.6Confident101 Ų101104.7 Ų104.753%0.52953%0.527SS..Hα-helixtrans-65-41.4176.4-168.4156.8000111.4P262 V263 L269 I270P262-L266 VanDerWaalsContact O-CB 3.29Å; P262-L266 WeakPolarHBondContact O-CB 3.4Å; P262-L266 PolarHBondContact O-N 3.14Å; V263-L266 PolarHBondContact O-N 2.81Å; L266-L269 PolarHBondContact O-N 2.81Å; L266-I270 HydrophobicContact CD2-CD1 3.52Å; L266-I270 HydrophobicContact CD2-CG1 4.14Å; L266-I270 WeakPolarHBondContact O-CG1 3.35Å; L266-I270 PolarHBondContact O-N 2.86Å
267V89.4Confident85.3Confident86 Ų86106.7 Ų106.752%0.52153%0.534SS..Hα-helixtrans-62.5-42.2172.7169.70000111.6V263 L264 L269 I270 W271V263-V267 WeakPolarHBondContact O-CG2 3.26Å; V263-V267 PolarHBondContact O-N 2.04Å; L264-V267 PolarHBondContact O-N 3.37Å; V267-L269 VanDerWaalsContact C-N 3.35Å; V267-L269 PolarHBondContact O-N 2.87Å; V267-I270 PolarHBondContact O-N 2.84Å; V267-W271 WeakPolarHBondContact O-CB 3.39Å; V267-W271 PolarHBondContact O-N 2.86Å
268I88.4Confident83.9Confident88 Ų88108 Ų10845%0.45154%0.537SS..Hα-helixtrans-62.1-41.6173.8-73.6169.8000111.1L264 F265 W271 A272L264-I268 HydrophobicContact CD2-CD1 3.49Å; L264-I268 VanDerWaalsContact CD2-CD1 3.49Å; L264-I268 HydrophobicContact CD2-CG1 4.08Å; L264-I268 WeakPolarHBondContact O-CB 3.11Å; L264-I268 WeakPolarHBondContact O-CG1 3.09Å; L264-I268 PolarHBondContact O-N 2.77Å; F265-I268 PolarHBondContact O-N 3.07Å; I268-W271 PolarHBondContact O-N 2.66Å; I268-A272 VanDerWaalsContact O-CB 3.27Å; I268-A272 WeakPolarHBondContact O-CB 3.44Å; I268-A272 PolarHBondContact O-N 3Å
269L88.2Confident82.2Confident85 Ų85109.4 Ų109.445%0.44554%0.544SS..Hα-helixtrans-64.2-45.7175.9-75.2177000112.1F265 L266 V267 W271 A272 C273F265-L269 HydrophobicContact CD1-CD1 3.9Å; F265-L269 HydrophobicContact CD1-CG 4.4Å; F265-L269 HydrophobicContact CE1-CD1 3.55Å; F265-L269 HydrophobicContact CE1-CG 4.16Å; F265-L269 HydrophobicContact CZ-CD1 4.19Å; F265-L269 HydrophobicContact CZ-CG 4.41Å; F265-L269 WeakPolarHBondContact O-CG 3.28Å; F265-L269 PolarHBondContact O-N 3.48Å; L266-L269 PolarHBondContact O-N 2.81Å; V267-L269 VanDerWaalsContact C-N 3.35Å; V267-L269 PolarHBondContact O-N 2.87Å; L269-W271 VanDerWaalsContact C-N 3.33Å; L269-W271 PolarHBondContact O-N 2.86Å; L269-A272 PolarHBondContact O-N 2.78Å; L269-C273 WeakPolarHBondContact O-CB 3.37Å; L269-C273 PolarHBondContact O-N 3.49Å; L269-C273 PolarHBondContact O-SG 3.46Å
270I88.1Confident80.4Confident104 Ų104111.1 Ų111.153%0.53355%0.551SS.*Hα-helixtrans-59.3-45.4174.8-72.2177.9000110.4L266 V267 C273 R274L266-I270 HydrophobicContact CD2-CD1 3.52Å; L266-I270 HydrophobicContact CD2-CG1 4.14Å; L266-I270 WeakPolarHBondContact O-CG1 3.35Å; L266-I270 PolarHBondContact O-N 2.86Å; V267-I270 PolarHBondContact O-N 2.84Å; I270-C273 PolarHBondContact O-N 2.9Å; I270-R274 VanDerWaalsContact O-CB 3.25Å; I270-R274 WeakPolarHBondContact O-CB 3.3Å; I270-R274 PolarHBondContact O-N 3.28Å
271W88.2Confident78.1Confident155 Ų155115.4 Ų115.459%0.58757%0.568SS**Hα-helixtrans-64.1-42.1178-178.787.8000112.4V267 I268 L269 R274 R275V267-W271 WeakPolarHBondContact O-CB 3.39Å; V267-W271 PolarHBondContact O-N 2.86Å; I268-W271 PolarHBondContact O-N 2.66Å; L269-W271 VanDerWaalsContact C-N 3.33Å; L269-W271 PolarHBondContact O-N 2.86Å; W271-R274 PolarHBondContact O-N 2.76Å; W271-R275 VanDerWaalsContact O-CB 3.23Å; W271-R275 WeakPolarHBondContact O-CB 3.44Å; W271-R275 PolarHBondContact O-N 3.24Å
272A83.4Confident76Confident39 Ų39113.4 Ų113.432%0.32256%0.564SS.*Hα-helixtrans-66.1-41.5176.600000112.2I268 L269 R275 R276I268-A272 VanDerWaalsContact O-CB 3.27Å; I268-A272 WeakPolarHBondContact O-CB 3.44Å; I268-A272 PolarHBondContact O-N 3Å; L269-A272 PolarHBondContact O-N 2.78Å; A272-R275 PolarHBondContact O-N 3.2Å; A272-R276 PolarHBondContact O-N 2.89Å
273C82.8Confident73.8Confident72 Ų72117 Ų11749%0.48658%0.58SS.*Hα-helixtrans-63.9-49174.2-67.30000111L269 I270 R275 R276 H277L269-C273 WeakPolarHBondContact O-CB 3.37Å; L269-C273 PolarHBondContact O-N 3.49Å; L269-C273 PolarHBondContact O-SG 3.46Å; I270-C273 PolarHBondContact O-N 2.9Å; C273-R275 VanDerWaalsContact C-N 3.32Å; C273-R275 PolarHBondContact O-N 3.23Å; C273-R276 PolarHBondContact O-N 3.2Å; C273-R276 VanDerWaalsContact O-N 3.17Å; C273-H277 PolarHBondContact O-CD2 2.9Å; C273-H277 VanDerWaalsContact O-CD2 3.26Å; C273-H277 PolarHBondContact O-N 3.03Å
274R81Confident71.6Confident167 Ų167123 Ų12363%0.6359%0.594SS**Hα-helixtrans-58.5-42.4175.4180170.7172.1174.8-5.3111.5I270 W271 H277 H278I270-R274 VanDerWaalsContact O-CB 3.25Å; I270-R274 WeakPolarHBondContact O-CB 3.3Å; I270-R274 PolarHBondContact O-N 3.28Å; W271-R274 PolarHBondContact O-N 2.76Å; R274-H277 PolarHBondContact O-N 3.35Å; R274-H278 PolarHBondContact NE-NE2 3.49Å; R274-H278 PolarHBondContact O-CD2 2.97Å; R274-H278 PolarHBondContact O-N 3.09Å
275R79Confident69.3Low162 Ų162124.3 Ų124.361%0.61161%0.606SS**Hα-helixtrans-66.2-36176.7-170.2171.7-178.41720.3112.7W271 A272 C273 H278 A279W271-R275 VanDerWaalsContact O-CB 3.23Å; W271-R275 WeakPolarHBondContact O-CB 3.44Å; W271-R275 PolarHBondContact O-N 3.24Å; A272-R275 PolarHBondContact O-N 3.2Å; C273-R275 VanDerWaalsContact C-N 3.32Å; C273-R275 PolarHBondContact O-N 3.23Å; R275-H278 PolarHBondContact O-N 2.76Å; R275-A279 PolarHBondContact O-N 3.32Å; R275-A279 VanDerWaalsContact O-N 3.14Å
276R71.6Confident67.1Low197 Ų197125 Ų12574%0.74362%0.615SS**Hα-helixtrans-66.7-41.5170.6-78.7-175.3172.2-170-2.5112.2A272 C273 H278 A279 M280A272-R276 PolarHBondContact O-N 2.89Å; C273-R276 PolarHBondContact O-N 3.2Å; C273-R276 VanDerWaalsContact O-N 3.17Å; R276-H278 VanDerWaalsContact C-N 3.32Å; R276-H278 PolarHBondContact O-N 3.41Å; R276-A279 PolarHBondContact O-N 3.16Å; R276-A279 VanDerWaalsContact O-N 3.08Å; R276-M280 PolarHBondContact O-N 2.78Å; R276-M280 VanDerWaalsContact O-N 3.13Å
277H61.6Low64.7Low130 Ų130124.8 Ų124.860%0.60262%0.622SS**Hα-helixtrans-63.9-33.2174.3-81.6-69.9000113.2C273 R274 A279C273-H277 PolarHBondContact O-CD2 2.9Å; C273-H277 VanDerWaalsContact O-CD2 3.26Å; C273-H277 PolarHBondContact O-N 3.03Å; R274-H277 PolarHBondContact O-N 3.35Å; H277-A279 VanDerWaalsContact C-N 3.34Å
278H57.6Low62.4Low129 Ų129128.2 Ų128.260%0.59763%0.631SS**Hα-helixtrans-74.1-21.1171.5-71.1-59.7000113.8R274 R275 R276R274-H278 PolarHBondContact NE-NE2 3.49Å; R274-H278 PolarHBondContact O-CD2 2.97Å; R274-H278 PolarHBondContact O-N 3.09Å; R275-H278 PolarHBondContact O-N 2.76Å; R276-H278 VanDerWaalsContact C-N 3.32Å; R276-H278 PolarHBondContact O-N 3.41Å
279A54.3Low60.6Low76 Ų76130.4 Ų130.463%0.62864%0.642SS**Hα-helixtrans-83.3-25.9176.500000113.2R275 R276 H277 H281R275-A279 PolarHBondContact O-N 3.32Å; R275-A279 VanDerWaalsContact O-N 3.14Å; R276-A279 PolarHBondContact O-N 3.16Å; R276-A279 VanDerWaalsContact O-N 3.08Å; H277-A279 VanDerWaalsContact C-N 3.34Å; A279-H281 PolarHBondContact O-N 2.77Å
280M51.3Low58.5Low157 Ų157135.3 Ų135.377%0.77366%0.66SS**SBendtrans-91.687.3175.8-70.6-170.2168.900110.9R276 S282R276-M280 PolarHBondContact O-N 2.78Å; R276-M280 VanDerWaalsContact O-N 3.13Å; M280-S282 PolarHBondContact O-N 2.9Å
281H41.7Very low56.4Low179 Ų179134.4 Ų134.483%0.82966%0.663SS**  trans-56.6103.3174.5-90-100000111.9A279A279-H281 PolarHBondContact O-N 2.77Å
282S43.3Very low54.6Low70 Ų70130.3 Ų130.349%0.4966%0.655SS.*  trans-132.4126.7166.7176.80000108.6M280 Y284 T285M280-S282 PolarHBondContact O-N 2.9Å; S282-Y284 PolarHBondContact O-N 2.89Å; S282-T285 PolarHBondContact O-OG1 3.19Å
283N43.8Very low53Low152 Ų152132.5 Ų132.581%0.81366%0.662SS**THydrogen-bonded Turntrans-74.524-172.4-72.4-20.1000114.4
284Y42.4Very low51.4Low213 Ų213134.4 Ų134.484%0.83567%0.667SS**THydrogen-bonded Turntrans-101.45.9176.5-96-84.6000113.9S282 N286S282-Y284 PolarHBondContact O-N 2.89Å; Y284-N286 VanDerWaalsContact C-N 3.29Å; Y284-N286 PolarHBondContact O-N 2.89Å
285T41.2Very low49.6Very low118 Ų118136.2 Ų136.272%0.72467%0.673SS**  trans-85.718.5-17248.80000115.3S282 S287S282-T285 PolarHBondContact O-OG1 3.19Å; T285-S287 PolarHBondContact O-N 3.35Å; T285-S287 VanDerWaalsContact O-N 3.08Å
286N42.2Very low48Very low144 Ų144137.2 Ų137.277%0.7768%0.679SS**  trans-74.598171-84.7-54.5000111.7Y284Y284-N286 VanDerWaalsContact C-N 3.29Å; Y284-N286 PolarHBondContact O-N 2.89Å
287S39.5Very low46.6Very low97 Ų97137.7 Ų137.768%0.67868%0.682SS**SBendtrans45.276.414050.50000118.8T285T285-S287 PolarHBondContact O-N 3.35Å; T285-S287 VanDerWaalsContact O-N 3.08Å
288K41.1Very low46.3Very low159 Ų159137.6 Ų137.669%0.69169%0.685SS**  trans-172.8-32.1143.5-106148.1-169.7175.40116.9F290 T292K288-F290 PolarHBondContact O-N 2.86Å; K288-T292 PolarHBondContact O-OG1 2.81Å
289L49.7Very low45.8Very low133 Ų133134 Ų13470%0.69668%0.683SS**THydrogen-bonded Turntrans-71.5-14.4-155.8-70.7170.7000117.7
290F44.7Very low44.9Very low189 Ų189133.5 Ų133.583%0.82968%0.684SS**THydrogen-bonded Turntrans-112-7.9-174.7-82.6-78.1000116.3K288K288-F290 PolarHBondContact O-N 2.86Å
291S44.6Very low44.5Very low84 Ų84134.3 Ų134.359%0.58768%0.683SS**THydrogen-bonded Turntrans-109.2-24179.253.10000114.4
292T49.7Very low44.4Very low69 Ų69134.2 Ų134.242%0.42368%0.683SS.*SBendtrans-94.6-34-172.552.30000114.1K288K288-T292 PolarHBondContact O-OG1 2.81Å
293N49.8Very low44.4Very low85 Ų85137.5 Ų137.546%0.45569%0.694SS.*Hα-helixtrans-78.3-26.3-176.7-79.3-27.9000114.3Y296 Y297N293-Y296 PolarHBondContact O-N 2.8Å; N293-Y297 PolarHBondContact O-N 3.49Å; N293-Y297 VanDerWaalsContact O-N 3.14Å
294L48.2Very low44.4Very low113 Ų113135.7 Ų135.759%0.59269%0.692SS**Hα-helixtrans-67.4-40.2-179.3-164.972.9000111.5Y296 Y297 I298L294-Y296 VanDerWaalsContact C-N 3.3Å; L294-Y296 PolarHBondContact O-N 2.7Å; L294-Y297 PolarHBondContact O-N 3.47Å; L294-I298 HydrophobicContact CD1-CD1 4.44Å; L294-I298 HydrophobicContact CD2-CD1 4.29Å; L294-I298 HydrophobicContact CG-CD1 3.89Å; L294-I298 WeakPolarHBondContact O-CG1 3.41Å; L294-I298 PolarHBondContact O-N 2.91Å
295W44.5Very low44.2Very low204 Ų204133.3 Ų133.377%0.77369%0.694SS**Hα-helixtrans-62.2-35.6173-83.390.5000112.7Y297 G299W295-Y297 VanDerWaalsContact C-N 3.34Å; W295-G299 WeakPolarHBondContact O-CA 3.41Å; W295-G299 PolarHBondContact O-N 3.26Å
296Y45.5Very low44.1Very low184 Ų184133.5 Ų133.572%0.72269%0.69SS**Hα-helixtrans-68.3-30.1174.2-99.9-91.8000113.5N293 L294N293-Y296 PolarHBondContact O-N 2.8Å; L294-Y296 VanDerWaalsContact C-N 3.3Å; L294-Y296 PolarHBondContact O-N 2.7Å
297Y41.6Very low44Very low206 Ų206132 Ų13281%0.80869%0.689SS**Hα-helixtrans-86.1-23.4177.4-94.1-84.5000114.4N293 L294 W295N293-Y297 PolarHBondContact O-N 3.49Å; N293-Y297 VanDerWaalsContact O-N 3.14Å; L294-Y297 PolarHBondContact O-N 3.47Å; W295-Y297 VanDerWaalsContact C-N 3.34Å
298I55.6Low44Very low129 Ų129133.2 Ų133.266%0.66269%0.687SS**Hα-helixtrans-90.6-30.3175.7-64.5173.5000111.2L294 G300L294-I298 HydrophobicContact CD1-CD1 4.44Å; L294-I298 HydrophobicContact CD2-CD1 4.29Å; L294-I298 HydrophobicContact CG-CD1 3.89Å; L294-I298 WeakPolarHBondContact O-CG1 3.41Å; L294-I298 PolarHBondContact O-N 2.91Å; I298-G300 PolarHBondContact O-N 3.14Å
299G47Very low43.6Very low54 Ų54128.8 Ų128.856%0.55769%0.687SS**SBendtrans-73.314.6-174.800000117.1W295 K301W295-G299 WeakPolarHBondContact O-CA 3.41Å; W295-G299 PolarHBondContact O-N 3.26Å; G299-K301 PolarHBondContact O-N 3.35Å
300G36.2Very low42.8Very low64 Ų64130.5 Ų130.566%0.6669%0.689SS**  trans61.6-1.3164.400000118.8I298 E302I298-G300 PolarHBondContact O-N 3.14Å; G300-E302 PolarHBondContact O-N 2.83Å
301K41.5Very low42.3Very low175 Ų175132.9 Ų132.976%0.76169%0.692SS**  trans-79.387.7-172.4-168.2172.7-177.21750112.3G299 I303G299-K301 PolarHBondContact O-N 3.35Å; K301-I303 PolarHBondContact O-N 2.85Å; K301-I303 VanDerWaalsContact O-N 3.14Å
302E41Very low41.8Very low176 Ų176132 Ų13282%0.82270%0.697SS**  trans-54.1110.5167.758.3-150.5142.900111.6G300G300-E302 PolarHBondContact O-N 2.83Å
303I42.7Very low41Very low140 Ų140134.6 Ų134.672%0.71872%0.718SS**  trans-96115169.1-66.4167.5000106.4K301K301-I303 PolarHBondContact O-N 2.85Å; K301-I303 VanDerWaalsContact O-N 3.14Å
304C44.4Very low40.3Very low113 Ų113136.4 Ų136.476%0.76474%0.737SS**  trans-58.5146.4-178.2-50.60000112.2D306C304-D306 PolarHBondContact O-N 2.84Å; C304-D306 VanDerWaalsContact O-N 3.13Å
305D38.2Very low39.6Very low164 Ų164136.1 Ų136.188%0.87775%0.745SS**  trans-59.9112.5175.6-58.7-88.6000111.9P307D305-P307 VanDerWaalsContact O-CD 3.32Å; D305-P307 WeakPolarHBondContact O-CD 3.12Å
306D39.1Very low39Very low122 Ų122134.8 Ų134.865%0.65275%0.749SS**  trans-109.287.6165.4-169.5-9.7000109.6C304 N308 G309C304-D306 PolarHBondContact O-N 2.84Å; C304-D306 VanDerWaalsContact O-N 3.13Å; D306-N308 PolarHBondContact O-N 3.16Å; D306-G309 PolarHBondContact O-N 3.08Å
307P40.5Very low38.4Very low113 Ų113134.3 Ų134.373%0.73476%0.758SS**THydrogen-bonded Turntrans-71.61.2-167.829.4-36.6000114.4D305D305-P307 VanDerWaalsContact O-CD 3.32Å; D305-P307 WeakPolarHBondContact O-CD 3.12Å
308N38.7Very low37.7Very low122 Ų122135.5 Ų135.565%0.65276%0.761SS**THydrogen-bonded Turntrans-137.935176.6-79.6-72.2000113.4D306 F310D306-N308 PolarHBondContact O-N 3.16Å; N308-F310 PolarHBondContact O-N 3.08Å
309G32Very low36.5Very low66 Ų66134.2 Ų134.268%0.6876%0.764SS**  trans-6173.2173.800000114.7D306D306-G309 PolarHBondContact O-N 3.08Å
310F34.5Very low35.7Very low169 Ų169140 Ų14074%0.74177%0.774SS**  trans-89.2112.8-165.3-127.6-94.8000113.4N308 G312N308-F310 PolarHBondContact O-N 3.08Å; F310-G312 PolarHBondContact O-N 3.06Å
311R33.6Very low35.4Very low238 Ų238144 Ų14490%0.89878%0.775SS**  trans35.178.6149.8-68.9178.7165.5-101.3-1.7117.7
312G32.7Very low34.9Very low67 Ų67144.1 Ų144.169%0.69178%0.776SS**  trans-148.8140.5156.400000110.1F310F310-G312 PolarHBondContact O-N 3.06Å
313S34.1Very low34.5Very low122 Ų122143 Ų14385%0.85378%0.775SS**SBendcis-147.6102.95.1-72.30000112.5
314S34.2Very low34.1Very low123 Ų123141.7 Ų141.786%0.8678%0.779SS**SBendtrans-130.684.6157.4-70.70000109.3
315S34.7Very low33.8Very low108 Ų108141.7 Ų141.776%0.75578%0.778SS**  trans35.594.5161.260.60000119.3
316M31.4Very low33.7Very low175 Ų175139.7 Ų139.786%0.86278%0.776SS**  61.6135.3119.7-64.4-153.6-166.800122.8
317L32.8Very low33.5Very low174 Ų174138 Ų13891%0.91178%0.779SS**  trans77.3124.5149-67.5165.4000119.9
318R27.1Very low33.2Very low232 Ų232139.4 Ų139.488%0.87579%0.786SS**  trans-127126.8176.9-178.8-171.3-173.3-168.44.4108.6
319S29.3Very low32.9Very low102 Ų102136.7 Ų136.771%0.71379%0.786SS**  trans77.8148.2162.785.10000120.4
320K32Very low33Very low176 Ų176139.8 Ų139.877%0.76579%0.792SS**  trans76.8114.6155.5-66.9-176.2179.6-175.30121
321Q30Very low32.9Very low148 Ų148140.2 Ų140.269%0.69280%0.802SS**  trans87.9123131.2-75.1175-91.300121.8
322F30.2Very low32.9Very low176 Ų176136 Ų13677%0.77280%0.796SS**  trans85.2136.2152.6-71.7-63.4000122.5
323N33.5Very low32.8Very low152 Ų152140.3 Ų140.381%0.81380%0.803SS**  trans76.590.9159.8-61.7-0.3000120.3
324S33.4Very low32.5Very low113 Ų113138.1 Ų138.179%0.7980%0.8SS**  trans-58.7-172.8152.9-28.70000113
325P38.9Very low32.2Very low114 Ų114136.2 Ų136.274%0.7480%0.799SS**  cis-139.2150.5-0.738-19.6000117.7
326S34.4Very low31.9Very low122 Ų122134.9 Ų134.985%0.85380%0.803SS**  trans168.5139.8135.7-79.40000110.3
327A36.4Very low31.8Very low85 Ų85130.6 Ų130.670%0.70280%0.803SS**  cis-154.5156.3-17.400000109.8
328T32.7Very low31.6Very low144 Ų144125.7 Ų125.788%0.88380%0.795SS**  trans22120.7158.948.10000120.6
329G34Very low31.9Very low64 Ų64124.4 Ų124.466%0.6680%0.798SS**  cis171.2177-3.600000118.6
330T33.3Very low31.9Very low132 Ų132126 Ų12681%0.8179%0.794SS**  trans59.188147.753.90000119.6
331L32.3Very low32.2Very low178 Ų178126 Ų12693%0.93280%0.801SS**  trans-79.5116.9146.2-72.7168.5000109.8
332L34.2Very low32.2Very low149 Ų149125.2 Ų125.278%0.7880%0.799SS**  trans-138.1112162-67.3172.3000105.2
333N30.9Very low32.6Very low158 Ų158124.8 Ų124.885%0.84581%0.805SS**  69.798.666.5-169.633.8000113.6
334G27.9Very low32.4Very low76 Ų76121.9 Ų121.978%0.78480%0.796SS**  trans94.9128.1159.600000117.2
335G27.3Very low32.5Very low82 Ų82123.2 Ų123.285%0.84579%0.794SS**  trans110.1103.9146.300000118.9
336G27.6Very low32.1Very low81 Ų81122.3 Ų122.384%0.83580%0.796SS**  trans79.5137139.500000119.2
337G29Very low32.3Very low84 Ų84122.8 Ų122.887%0.86679%0.789SS**  trans74.1108.8174.100000113.5
338G28.4Very low32.1Very low71 Ų71125 Ų12573%0.73279%0.794SS**  cis97.590.39.300000111.9
339H33.9Very low32.4Very low206 Ų206125.2 Ų125.295%0.95479%0.786SS**  trans-152.9141.8149.3-106.1-77000108.7
340H29.5Very low32.4Very low136 Ų136129.2 Ų129.263%0.6379%0.793SS**  trans-129.6119-162152.7-69.8000111.3M342H340-M342 PolarHBondContact CE1-SD 3.38Å
341L38.6Very low32.7Very low174 Ų174130.5 Ų130.591%0.91179%0.794SS**  trans-154.7104163.8-66.8176.7000104.2
342M30.8Very low33.1Very low132 Ų132127.2 Ų127.265%0.6578%0.783SS**  cis72.8102.136.3-142.3-162.4-149.600113.7H340H340-M342 PolarHBondContact CE1-SD 3.38Å
343L38.2Very low33Very low168 Ų168127.8 Ų127.888%0.8879%0.787SS**  trans163.493.7165.3-93155.5000105
344S28.6Very low33.4Very low90 Ų90126.6 Ų126.663%0.62979%0.785SS**  80.8146.458.6-58.60000113.8
345N35.4Very low34Very low142 Ų142129 Ų12976%0.75979%0.785SS**  trans72.8105-173.6-49.410.1000112.2
346A31.7Very low34.8Very low95 Ų95130.8 Ų130.879%0.78578%0.779SS**  cis66.281.613.500000115.3
347D36.7Very low35.3Very low131 Ų131133.2 Ų133.270%0.70178%0.78SS**  trans-129.375.9162.3-86.9-57.5000109M349D347-M349 PolarHBondContact O-N 3.34Å
348V33.6Very low35.8Very low131 Ų131132.2 Ų132.279%0.79477%0.77SS**  trans-86.492167.8179.70000107.1D350V348-D350 PolarHBondContact O-N 2.85Å
349M39.3Very low36Very low149 Ų149132.7 Ų132.773%0.73478%0.775SS**  trans-91.293.2-178.9-79.4-67.9-154.200111.5D347 L351D347-M349 PolarHBondContact O-N 3.34Å; M349-L351 PolarHBondContact O-N 3.31Å
350D33.3Very low36.1Very low149 Ų149134 Ų13480%0.79777%0.771SS**  trans-60.9125.2162.2-73.1-47.2000110.4V348V348-D350 PolarHBondContact O-N 2.85Å
351L39.7Very low36.5Very low158 Ų158134.6 Ų134.683%0.82778%0.784SS**  trans-145151.8165.8-116.889.5000108.2M349M349-L351 PolarHBondContact O-N 3.31Å
352P40.1Very low36.4Very low109 Ų109130.8 Ų130.871%0.70877%0.768SS**  -108.6167.4-1251.321.4000115.1V354P352-V354 PolarHBondContact O-N 3.07Å; P352-V354 VanDerWaalsContact O-N 3.15Å
353D32Very low36.9Very low162 Ų162128.7 Ų128.787%0.86677%0.772SS**  trans-55.3112.8173.7-77.9-50.5000112.9
354V40.9Very low36.8Very low132 Ų132128.9 Ų128.980%0.877%0.766SS**  trans-94.3100168.1-179.80000108.8P352 V356P352-V354 PolarHBondContact O-N 3.07Å; P352-V354 VanDerWaalsContact O-N 3.15Å; V354-V356 PolarHBondContact O-N 3.18Å
355V39.3Very low37.2Very low128 Ų128130.9 Ų130.978%0.77677%0.769SS**  trans-66.1115.8-177.4-179.40000111.1
356V43.7Very low36.9Very low118 Ų118135 Ų13572%0.71578%0.776SS**  trans-96.2117.4166.8-178.80000109.2V354 G358V354-V356 PolarHBondContact O-N 3.18Å; V356-G358 VanDerWaalsContact C-N 3.29Å; V356-G358 PolarHBondContact O-N 2.79Å
357P38Very low37.3Very low132 Ų132134.5 Ų134.586%0.85777%0.766SS**THydrogen-bonded Turntrans-73.481.4176.330.3-34.3000110.7
358G39.6Very low37Very low64 Ų64132 Ų13266%0.6677%0.772SS**THydrogen-bonded Turntrans-147.3-6.9-174.100000117.1V356 R360V356-G358 VanDerWaalsContact C-N 3.29Å; V356-G358 PolarHBondContact O-N 2.79Å; G358-R360 PolarHBondContact O-N 2.97Å
359G34.2Very low37.1Very low81 Ų81132.8 Ų132.884%0.83577%0.771SS**SBendtrans75.19.6159.600000119.1
360R34.7Very low37Very low232 Ų232131.7 Ų131.788%0.87577%0.774SS**  trans-138.2110.2165-73.8-165178.1-150.8-0.3112.5G358G358-R360 PolarHBondContact O-N 2.97Å
361V37.3Very low37.1Very low149 Ų149133.8 Ų133.890%0.90378%0.783SS**  trans-97.5120.8164.9-1780000107.6
362V37.8Very low36.8Very low94 Ų94129.7 Ų129.757%0.5778%0.779SS**  trans-105.8102.8174.1-177.60000107.9F364V362-F364 HydrophobicContact CB-CE2 4.23Å; V362-F364 HydrophobicContact CB-CZ 4.44Å; V362-F364 HydrophobicContact CG1-CD2 4.47Å; V362-F364 HydrophobicContact CG1-CE1 4.2Å; V362-F364 HydrophobicContact CG1-CE2 4.02Å; V362-F364 HydrophobicContact CG1-CZ 3.87Å; V362-F364 WeakPolarHBondContact O-CD2 3.49Å; V362-F364 PolarHBondContact O-N 2.89Å
363A40.1Very low36.4Very low89 Ų89127.8 Ų127.874%0.73678%0.78SS**  trans-76104.417700000110N365A363-N365 VanDerWaalsContact C-N 3.28Å; A363-N365 PolarHBondContact O-N 2.83Å
364F37Very low36.6Very low171 Ų171127.1 Ų127.175%0.7578%0.777SS**  trans-75.580.3173.7-68.6-78.8000110.6V362 Y366V362-F364 HydrophobicContact CB-CE2 4.23Å; V362-F364 HydrophobicContact CB-CZ 4.44Å; V362-F364 HydrophobicContact CG1-CD2 4.47Å; V362-F364 HydrophobicContact CG1-CE1 4.2Å; V362-F364 HydrophobicContact CG1-CE2 4.02Å; V362-F364 HydrophobicContact CG1-CZ 3.87Å; V362-F364 WeakPolarHBondContact O-CD2 3.49Å; V362-F364 PolarHBondContact O-N 2.89Å; F364-Y366 WeakPolarHBondContact O-CD2 3.33Å; F364-Y366 PolarHBondContact O-N 3.41Å
365N35.9Very low36.1Very low133 Ų133126.5 Ų126.571%0.71177%0.773SS**  trans-69.5109.3173.7-176.610000110.1A363 S367A363-N365 VanDerWaalsContact C-N 3.28Å; A363-N365 PolarHBondContact O-N 2.83Å; N365-S367 PolarHBondContact ND2-OG 2.78Å; N365-S367 PolarHBondContact O-N 2.93Å
366Y30.2Very low35.9Very low229 Ų229127 Ų12790%0.89877%0.771SS**  trans-73.468.8177.1-82.6-94.1000111.9F364F364-Y366 WeakPolarHBondContact O-CD2 3.33Å; F364-Y366 PolarHBondContact O-N 3.41Å
367S39.1Very low35.3Very low83 Ų83131.3 Ų131.358%0.5877%0.774SS**  trans-122.994167.456.60000108.9N365 N369N365-S367 PolarHBondContact ND2-OG 2.78Å; N365-S367 PolarHBondContact O-N 2.93Å; S367-N369 PolarHBondContact O-N 2.95Å; S367-N369 VanDerWaalsContact O-N 3.13Å
368G30.8Very low35Very low79 Ų79133.5 Ų133.581%0.81477%0.772SS**  trans-72103.7-178.900000111.4
369N35.4Very low34.6Very low147 Ų147136.2 Ų136.279%0.78677%0.772SS**  trans-148.5114.7163.6-102.2-25.6000110.8S367S367-N369 PolarHBondContact O-N 2.95Å; S367-N369 VanDerWaalsContact O-N 3.13Å
370T39Very low34.6Very low127 Ų127138.8 Ų138.878%0.77976%0.762SS**  trans26.9117.8149.957.20000119.3G372T370-G372 PolarHBondContact O-N 3.11Å; T370-G372 VanDerWaalsContact O-N 3.14Å
371L33.7Very low34.6Very low192 Ų192134 Ų134100%1.00575%0.753SS**  trans-55.3113158.7-78.3155.1000110.8
372G34.5Very low34.3Very low72 Ų72134.4 Ų134.474%0.74275%0.751SS**  trans-116.7133.116600000109.6T370T370-G372 PolarHBondContact O-N 3.11Å; T370-G372 VanDerWaalsContact O-N 3.14Å
373G32.1Very low34Very low70 Ų70134.3 Ų134.372%0.72276%0.76SS**  trans-80-170.1-174.500000115.2
374N36.1Very low33.5Very low148 Ų148133 Ų13379%0.79176%0.755SS**  trans76.489.1177.9-51.3-19.5000114.2
375T30.3Very low33.3Very low118 Ų118135.2 Ų135.272%0.72476%0.76SS**  73.3133.673.868.70000116
376L33.6Very low33.2Very low140 Ų140134.1 Ų134.173%0.73376%0.759SS**  trans89116.1156.9-65.1156.9000120.4
377R33Very low33.4Very low208 Ų208130.6 Ų130.679%0.78576%0.755SS**  trans78124.1144.8-64.2170.9-179.9-159.5-2.4116.5
378H30.1Very low33.1Very low177 Ų177131.8 Ų131.882%0.81976%0.759SS**  60.9132.269.9-64.7-73.4000111.6
379N31.4Very low33.2Very low121 Ų121133.9 Ų133.965%0.64775%0.752SS**  cis-161.216821.9-153.57.7000114.5
380H35.4Very low33.3Very low135 Ų135137 Ų13763%0.62575%0.754SS**  trans45.9129.5150-83.2-38.7000124.6
381N34Very low33Very low131 Ų131138.4 Ų138.470%0.70176%0.756SS**  trans63.2153.6131.2-47.7-8.8000118.7
382N30.7Very low33.1Very low158 Ų158133.1 Ų133.185%0.84574%0.735SS**  cis-152.3177.517.9-159.17.4000112.3
383A31.2Very low33.1Very low92 Ų92137 Ų13776%0.7674%0.739SS**  trans-85.5160.5-174.800000116.4
384G29Very low33.3Very low62 Ų62137.2 Ų137.264%0.63973%0.734SS**  trans131.3147.2136.100000119.7
385Y34.7Very low33.4Very low217 Ų217138.4 Ų138.485%0.85173%0.734SS**  trans73.791.9150.7-57.8-74.9000122
386T33.2Very low33.5Very low111 Ų111138.6 Ų138.668%0.68173%0.731SS**  45.2124.6106.961.40000122.9
387N33.3Very low33.5Very low154 Ų154137.9 Ų137.982%0.82473%0.728SS**  -170.2175.2113.8-113.2-63000114.4
388T33.3Very low33.5Very low109 Ų109136.3 Ų136.367%0.66973%0.729SS**  trans-120.2163.8-171.357.90000114.3
389N33.9Very low33.5Very low123 Ų123134 Ų13466%0.65873%0.727SS**  156.3168.4125.4-77.2-24.6000115.8
390Y36.3Very low33.4Very low212 Ų212135.2 Ų135.283%0.83173%0.731SS**  trans84.3114171-55.7-76.9000117.1
391L34.3Very low33.3Very low156 Ų156135.4 Ų135.482%0.81774%0.736SS**  cis102.5125.516.3-169.187.4000112.9
392S35.2Very low33.1Very low81 Ų81134.7 Ų134.757%0.56674%0.737SS**  cis-169.1-173.1-10.460.20000112.3
393N33.8Very low33.2Very low155 Ų155134.1 Ų134.183%0.82973%0.734SS**  trans78.1148.3155.3-70.5-7.6000119.5
394A37Very low33.5Very low74 Ų74134.6 Ų134.661%0.61273%0.726SS**  cis-157.4155.5-0.700000114.6
395Q37.1Very low33.7Very low173 Ų173139.1 Ų139.181%0.80874%0.736SS**  30.9154.5129.7-59.7179.1-26.800121.8
396N33Very low33.7Very low121 Ų121131.7 Ų131.765%0.64773%0.725SS**  cis-167.1168.6-3-120.1-14.1000111.7
397N34.7Very low33.6Very low126 Ų126132.9 Ų132.967%0.67473%0.732SS**  trans55127.3150.9-63.2-9.7000120.2
398Q31.7Very low33.5Very low174 Ų174132 Ų13281%0.81373%0.732SS**  86.9152.253.2-78.7-1610.300115.9
399V31.2Very low33.4Very low128 Ų128131.7 Ų131.778%0.77674%0.735SS**  trans79.2142.5169.1-1740000115.8
400M28.9Very low33.3Very low148 Ų148132.6 Ų132.673%0.72974%0.739SS**  cis-174.6179.9-32.8-161.1-153.8-64.500107.3
401L33Very low33.1Very low139 Ų139128.9 Ų128.973%0.72873%0.733SS**  trans76.2146.8160.8-58.6168.4000117.7
402T30Very low33Very low116 Ų116127.8 Ų127.871%0.71273%0.729SS**  cis-171.8163.2-39.117.30000108.7
403N32Very low32.8Very low146 Ų146129.4 Ų129.478%0.78174%0.738SS**  trans71.1159.4156.3-114.7-0.6000116.5
404V38.9Very low32.8Very low101 Ų101125.2 Ų125.261%0.61273%0.732SS**  cis-140.5155.21-142.10000109.8
405N33.2Very low32.4Very low158 Ų158127.8 Ų127.885%0.84574%0.74SS**  trans41.2144.7150.3-62.9-12.3000122.5
406G34Very low31.9Very low60 Ų60126.9 Ų126.962%0.61974%0.741SS**  cis157.6159.2-5.300000113.9
407T31.9Very low31.6Very low136 Ų136127.3 Ų127.383%0.83475%0.748SS**  trans52.3116.4162.751.90000119.2
408V30.7Very low31.3Very low135 Ų135127 Ų12782%0.81875%0.751SS**  79.5147.153.7176.10000113.8
409S31Very low31Very low103 Ų103124.6 Ų124.672%0.7275%0.748SS**  trans95.7146.5167.7820000117
410L31.2Very low30.8Very low142 Ų142124.8 Ų124.874%0.74375%0.749SS**  cis-166.5168.7-14.5-113.1173.1000109.9
411N33.2Very low30.7Very low134 Ų134121.8 Ų121.872%0.71775%0.747SS**  trans69.6151.1152.1-69.7-19.4000120.7
412N31.6Very low30.4Very low134 Ų134126.1 Ų126.172%0.71775%0.754SS**  cis-166.7164.8-24.3-161.99.1000111.5
413C30.9Very low30.4Very low114 Ų114127.2 Ų127.277%0.7776%0.761SS**  trans59.1140.9156.7-74.20000123.1
414G32.8Very low30.5Very low68 Ų68123.6 Ų123.670%0.70176%0.758SS**  116.956124.200000122.1
415T30.1Very low30.3Very low127 Ų127127.2 Ų127.278%0.77977%0.768SS**  25.9119126.257.90000123.4
416N26.9Very low30.3Very low155 Ų155126 Ų12683%0.82976%0.762SS**  trans68.6153.3136.9-64.7-8.3000123.7
417V26.7Very low30.4Very low129 Ų129128.5 Ų128.578%0.78277%0.765SS**  trans85.896.1161.9-166.60000118.7
418T26.7Very low30.4Very low121 Ų121130 Ų13074%0.74277%0.765SS**  trans32.7144.7146.558.50000123.9
419T26.4Very low30.7Very low122 Ų122128 Ų12875%0.74876%0.755SS**  trans96.5140.7147.3-7.80000119.7
420V26.7Very low30.9Very low133 Ų133130.3 Ų130.381%0.80676%0.758SS**  trans62.3130.4163.1-116.90000122.1
421A26.4Very low31Very low84 Ų84129.3 Ų129.369%0.69476%0.758SS**  trans82.5136.8132.700000123.5
422R26.6Very low31Very low231 Ų231127.3 Ų127.387%0.87275%0.754SS**  trans75.591.9143.6-75.6176.5179.4-177.20.5121.7
423T31.5Very low31.3Very low139 Ų139127 Ų12785%0.85375%0.753SS**  29.8125.2108.5610000120.6
424G33.2Very low31.5Very low70 Ų70128 Ų12872%0.72275%0.746SS**  trans-171.1149.5151.400000109.7
425Q33.8Very low31.7Very low176 Ų176131.5 Ų131.582%0.82275%0.748SS**  cis-163.1165.3-4.8-143.11682.300110.3
426N33.8Very low31.8Very low134 Ų134131 Ų13172%0.71774%0.739SS**  trans86.7132.5165.7-49.8-27.3000118.4
427T35.5Very low32.4Very low112 Ų112131 Ų13169%0.68773%0.734SS**  cis-162.2125.4-14.718.10000112
428M31.9Very low32.9Very low166 Ų166132 Ų13282%0.81873%0.73SS**  trans69.1160.9135.7-61.8-67.4-91.300119.4
429P38.7Very low33.2Very low94 Ų94133.8 Ų133.861%0.6173%0.73SS**  -141.5-153.6-69.138.4-16.9000113
430L33.6Very low33.5Very low152 Ų152131.5 Ų131.580%0.79672%0.719SS**  trans75.5142.3174.8-88.267.7000115
431V33.8Very low33.7Very low120 Ų120134.2 Ų134.273%0.72772%0.723SS**  cis152.5143.3-7132.60000104.2
432S32.7Very low33.7Very low92 Ų92134.6 Ų134.664%0.64372%0.721SS**  cis-168.1-167.8-14.2-88.30000108.9
433N38.9Very low33.7Very low128 Ų128131.5 Ų131.568%0.68472%0.716SS**  trans103.6105.9155.6-67.641.7000114.7
434E34.3Very low33.5Very low136 Ų136132.2 Ų132.264%0.63671%0.71SS**  92.5148.360.8-79.4-17914500110.7I436E434-I436 HydrophobicContact CG-CD1 3.76Å
435L36.5Very low33.2Very low140 Ų140137.5 Ų137.573%0.73372%0.716SS**  cis-152.7134.733.3-16173000107.5
436I34Very low32.8Very low117 Ų117134.9 Ų134.960%0.671%0.707SS**  cis84.4115.344.9-62.9179.4000115.2E434E434-I436 HydrophobicContact CG-CD1 3.76Å
437Q38.4Very low32.5Very low154 Ų154136.5 Ų136.572%0.7271%0.71SS**  trans-161.6113.8141.1-143.5142.6111.800115
438Q37.1Very low32.1Very low150 Ų150134.5 Ų134.570%0.70171%0.705SS**  trans55.6154.9139-62.1170.40.600121
439Q34Very low32.1Very low160 Ų160136.4 Ų136.475%0.74871%0.705SS**  cis-170.3166.7-15.3-105179.1-78.200106
440S32Very low31.6Very low74 Ų74136.9 Ų136.952%0.51770%0.702SS.*  cis163.8134.4-28.1600000107.4
441Q30.1Very low31.5Very low190 Ų190138.5 Ų138.589%0.88870%0.699SS**  trans69.5155.8167.9-61178.213.100116.9
442S27.1Very low31.4Very low92 Ų92138.8 Ų138.864%0.64369%0.693SS**  cis-169.7150-16.249.30000113.7
443Q27.5Very low31.3Very low166 Ų166139.7 Ų139.778%0.77669%0.694SS**  trans56.7132.2148.4-70.1-17036.100123.9
444Q27Very low30.8Very low154 Ų154140.5 Ų140.572%0.7270%0.699SS**  trans65.9148.4147.4-67.1-170.118.600121.7
445Q26.4Very low31.2Very low181 Ų181139.2 Ų139.285%0.84670%0.702SS**  trans63.9158.5167.1-71.5-178.721.200116.2
446N24.8Very low30.9Very low121 Ų121138.5 Ų138.565%0.64770%0.703SS**  cis-157.4170.3-32.2-168.728.4000107.2
447E28.4Very low30.8Very low167 Ų167141.6 Ų141.678%0.7871%0.713SS**  trans62.1172.1165.3-71.2147.5-146.800117.5
448A27.2Very low30.5Very low70 Ų70137.4 Ų137.458%0.57971%0.711SS**  -169.1173-52.900000108.6
449Y30.7Very low30.3Very low206 Ų206138.5 Ų138.581%0.80872%0.716SS**  trans74.7105.9169.1-62.1-82.2000119.1
450N29Very low30.1Very low104 Ų104135.5 Ų135.556%0.55671%0.713SS**  61146.2106.5-69.6-2.6000120.5
451Y32Very low30.1Very low187 Ų187138 Ų13873%0.73373%0.725SS**  cis-164.9168.510-108.2-17.1000108.9
452Q30.8Very low30.1Very low126 Ų126134.3 Ų134.359%0.58972%0.72SS**  cis-171.5124.5-11.8176.2176-18.700111.4
453T30.5Very low30.2Very low110 Ų110138.2 Ų138.268%0.67573%0.73SS**  trans62.3159.9158.862.70000119.7
454N29.1Very low30.4Very low146 Ų146134.9 Ų134.978%0.78173%0.731SS**  cis-154.2163.3-13.6-115-2.5000111.1
455P42.1Very low30.5Very low109 Ų109133.7 Ų133.771%0.70873%0.733SS**  trans-93-177173.740.4-36.6000112.4
456V30.7Very low30.7Very low124 Ų124133.8 Ų133.875%0.75274%0.736SS**  trans-169.1120139135.90000110.3
457F31.7Very low31Very low182 Ų182134.6 Ų134.680%0.79875%0.746SS**  trans46.1148.7155.1-66-105.3000120.2
458G31.5Very low31Very low67 Ų67131.3 Ų131.369%0.69175%0.747SS**  cis118.2139.718.800000109.3
459E33.6Very low31Very low173 Ų173132 Ų13281%0.80875%0.748SS**  cis-150.4174.49.8-82-174124.400113.9
460S29.8Very low31Very low97 Ų97131 Ų13168%0.67875%0.751SS**  trans-34.9147.8168.138.40000117.7
461V31.5Very low31Very low127 Ų127131.6 Ų131.677%0.7776%0.763SS**  74.7110.950.7176.70000115.1
462S30.8Very low31.1Very low111 Ų111128.4 Ų128.478%0.77677%0.765SS**  trans169.6137.8145-75.60000108.6
463M28.6Very low31Very low175 Ų175130.2 Ų130.286%0.86278%0.775SS**  cis80.486.737.9-70.9-149.9-66.200117.2
464A32.4Very low31.4Very low95 Ų95132.6 Ų132.679%0.78578%0.783SS**  trans-165.5133.3146.500000106.4
465V28.1Very low31.4Very low129 Ų129132.9 Ų132.978%0.78278%0.782SS**  cis72.591.431.7-167.70000114
466M31.4Very low31.1Very low184 Ų184133.7 Ų133.791%0.90679%0.785SS**  -176.5170124-103.1-172.4-71.400113.8
467T30.9Very low30.9Very low138 Ų138136 Ų13685%0.84779%0.787SS**  trans-99.7135.6-170.850.80000114.4
468A28.3Very low30.7Very low98 Ų98132.5 Ų132.581%0.8179%0.785SS**  trans167.8154.9151.900000107.5
469S27.5Very low30.7Very low84 Ų84137.9 Ų137.959%0.58779%0.794SS**  cis172.8165.9-15.165.60000104.5
470Q31Very low30.5Very low186 Ų186133.7 Ų133.787%0.86979%0.79SS**  trans70.2132.5165.3-59.7169.872.200118.1
471S28.2Very low30.8Very low116 Ų116135.1 Ų135.181%0.81180%0.796SS**  trans-90.2158.9167.8-380000110.1
472P35.6Very low30.7Very low119 Ų119136.2 Ų136.277%0.77380%0.798SS**  trans-108.2127.314532.7-26.2000110.5
473M28.1Very low30.6Very low164 Ų164141.7 Ų141.781%0.80880%0.803SS**  trans-72.7141.2157.9-74.8168.45100109
474L38.1Very low30.7Very low161 Ų161136.5 Ų136.584%0.84379%0.794SS**  trans-146.7122159.3-113.2162.3000109.9
475M30Very low30.5Very low152 Ų152137.7 Ų137.775%0.74980%0.797SS**  trans-99.1120.2177.9-70.5178.2171.900110.8
476T35Very low30.7Very low126 Ų126140.8 Ų140.877%0.77380%0.803SS**  trans-14895.115849.30000106.3
477Q27.5Very low30.6Very low173 Ų173136.1 Ų136.181%0.80879%0.794SS**  59.2113.575.7-67.4-15785.400114.6
478S27.8Very low30.4Very low108 Ų108136.7 Ų136.776%0.75579%0.792SS**  trans66.1156.8163.275.50000115.8
479M31.6Very low30.6Very low179 Ų179141.4 Ų141.488%0.88280%0.796SS**  cis-133152.919-54.5177.2-171.800112.6
480A27.8Very low30.6Very low86 Ų86144.5 Ų144.571%0.71181%0.811SS**  trans-94.2150.3164.500000110N482A480-N482 PolarHBondContact O-N 2.85Å
481P36.8Very low30.5Very low126 Ų126139.5 Ų139.582%0.81880%0.802SS**  trans-67.3104.6166.5-12.928.4000108.8Y483P481-Y483 PolarHBondContact O-N 2.96Å
482N29.9Very low30.5Very low150 Ų150143.1 Ų143.180%0.80281%0.806SS**  trans-71.8121.2178.9-171.121.9000109.6A480 G484A480-N482 PolarHBondContact O-N 2.85Å; N482-G484 PolarHBondContact O-N 2.89Å
483Y28.4Very low30.2Very low227 Ų227142.3 Ų142.389%0.8980%0.803SS**  trans-74.177.7172-104-91.7000109.5P481 S485P481-Y483 PolarHBondContact O-N 2.96Å; Y483-S485 PolarHBondContact O-N 3.23Å; Y483-S485 VanDerWaalsContact O-N 3.09Å
484G29.9Very low30.2Very low65 Ų65141.4 Ų141.467%0.6780%0.801SS**  trans-68.6100.1177.600000111.4N482 E486N482-G484 PolarHBondContact O-N 2.89Å; G484-E486 PolarHBondContact O-N 2.68Å
485S28.8Very low30Very low120 Ų120143.4 Ų143.484%0.83980%0.804SS**  trans-79.2102.317257.40000110.8Y483Y483-S485 PolarHBondContact O-N 3.23Å; Y483-S485 VanDerWaalsContact O-N 3.09Å
486E31.5Very low30.2Very low195 Ų195140.3 Ų140.391%0.91180%0.797SS**  trans-115.4119.7162.7-71-164.3130.500110.1G484G484-E486 PolarHBondContact O-N 2.68Å
487A29.5Very low30.1Very low86 Ų86141.5 Ų141.571%0.71180%0.799SS**  trans-91.5149.417000000109.6
488N28.2Very low30.3Very low150 Ų150139 Ų13980%0.80280%0.795SS**  trans51.499.3164.9-58.7-34.3000116.7
489H31.4Very low30.5Very low197 Ų197141 Ų14191%0.91280%0.798SS**  -156.8137.8124.5-107.9-68.5000112.9
490V26.9Very low30.4Very low148 Ų148138.7 Ų138.790%0.89779%0.794SS**  trans-89115.4174.1175.30000109.1
491A28.6Very low30.7Very low82 Ų82142.8 Ų142.868%0.67880%0.798SS**  trans-157.7124167.100000114.9
492Q29.9Very low30.7Very low192 Ų192145.7 Ų145.790%0.89780%0.801SS**  trans57100.9135-61.5178.2-3.400120.7
493S28.3Very low30.9Very low101 Ų101146 Ų14671%0.70680%0.801SS**  trans-69.4139.3145.554.30000112
494N28Very low31.1Very low145 Ų145141.5 Ų141.578%0.77579%0.792SS**  165.3133.5129-87.4-29000112.9
495F33.6Very low31.3Very low204 Ų204145.1 Ų145.190%0.89579%0.792SS**  trans160.2125.5146.9-89-57.9000106.9
496S34.8Very low31.4Very low87 Ų87146 Ų14661%0.60879%0.786SS**  cis-149.7140.78.6-64.40000112.7
497N32.3Very low31.3Very low150 Ų150144 Ų14480%0.80278%0.782SS**  trans62.2134.7152.9-56.6-16.6000118.9
498T31.7Very low31.6Very low120 Ų120144.8 Ų144.874%0.73678%0.78SS**  cis-146.1155.216.7-13.90000112.6
499N32.5Very low31.6Very low152 Ų152143.6 Ų143.681%0.81378%0.783SS**  trans65.781.9161.5-62.5-10.1000119.1
500T30.1Very low31.5Very low129 Ų129137.5 Ų137.579%0.79177%0.774SS**  trans-63144.3150.940.60000112.8
501Q34.3Very low31.8Very low173 Ų173139.8 Ų139.881%0.80877%0.774SS**  171.2105.2107.6-91.9-167.152.300112.7
502Q36.6Very low31.7Very low187 Ų187140.1 Ų140.187%0.87478%0.777SS**  165.5140122.5-89.1178.21.900110.2
503I32.9Very low31.6Very low155 Ų155141.1 Ų141.180%0.79577%0.774SS**  trans-136.8146.3-174.7-59.7174.3000108.1
504N32.7Very low31.8Very low133 Ų133143.5 Ų143.571%0.71178%0.779SS**  trans129.4141.7165-69.8-34.1000111.3
505Q33.7Very low31.9Very low142 Ų142145.9 Ų145.966%0.66478%0.783SS**  cis-160.6148.7-6.2-119.2166.749.400111.9
506L32.2Very low32.1Very low139 Ų139140.6 Ų140.673%0.72877%0.769SS**  trans47.6117.1141.9-71.6165000123.3
507N29.4Very low32Very low153 Ų153143 Ų14382%0.81878%0.78SS**  trans72.2165.9131.6-994000120.5
508P35.9Very low31.9Very low102 Ų102142.1 Ų142.166%0.66278%0.78SS**  trans-130.3-161.7-140.145.4-29000114.5
509S27Very low32.2Very low125 Ų125145 Ų14587%0.87479%0.785SS**  trans90.2135.1176-37.70000114.5
510G30.5Very low32.3Very low69 Ų69145.2 Ų145.271%0.71178%0.781SS**  trans134.998.6163.100000116.8
511Q32.5Very low32.5Very low195 Ų195147.1 Ų147.191%0.91178%0.781SS**  trans50.594136.4-58.7-176.4-2.200119.9
512A27.6Very low32.6Very low90 Ų90145.2 Ų145.274%0.74477%0.772SS**  31.6141.8111.900000122.2
513Y27.7Very low32.7Very low212 Ų212143.9 Ų143.983%0.83177%0.765SS**  trans90128.8151.9-94.1-71.4000122.2
514N32.5Very low32.8Very low152 Ų152144.7 Ų144.781%0.81377%0.766SS**  trans93.9153.6150.6-72.5-43.1000122.1
515K30.5Very low33.5Very low194 Ų194143.8 Ų143.884%0.84377%0.767SS**  trans-135.7-176.5-159.8-155.7-156172.3-176.10107.5
516P36.7Very low33.6Very low93 Ų93148.3 Ų148.360%0.60478%0.778SS**  -117.8164.9-90.540.6-27.2000115.3
517T32.4Very low33.9Very low137 Ų137145.5 Ų145.584%0.8478%0.775SS**  trans-165.8126.3147.726.70000107.2
518V31.6Very low34.3Very low133 Ų133146.7 Ų146.781%0.80678%0.775SS**  cis83.5100.2501790000114.2
519Q36.3Very low34.4Very low179 Ų179146 Ų14684%0.83677%0.773SS**  trans-159.7150.1162.2-84.1-169.65.600107.4
520Q35.5Very low34.9Very low158 Ų158148 Ų14874%0.73877%0.769SS**  cis-166-179.2-23.8-147.6-178.359.400108.8
521Q34.7Very low35.2Very low168 Ų168153.7 Ų153.779%0.78577%0.77SS**  trans77.5140.1167.8-62.6-173.35.600119.1
522H35.8Very low35.4Very low134 Ų134153 Ų15362%0.6276%0.764SS**  cis-167.5161.9-23.1-141.1-109.6000112.9
523H38.7Very low36Very low159 Ų159154 Ų15474%0.73676%0.763SS**  trans71.5117.4171.4-43.2109.6000118.6
524Q36.3Very low37Very low172 Ų172148.8 Ų148.880%0.80476%0.756SS**  cis84.914518.5-164.2176.233.700116
525P45.9Very low37.2Very low114 Ų114147.1 Ų147.174%0.7475%0.751SS**  cis-126.9179.6-1934.9-15.6000114.9
526R35.7Very low37.5Very low236 Ų236145.6 Ų145.689%0.89175%0.747SS**  173.4133.586.8177.8169.8-176.7140.21115.1
527A38.7Very low37.6Very low80 Ų80149.6 Ų149.666%0.66176%0.757SS**  trans67147.8157.800000119.7
528Q37.7Very low37.8Very low178 Ų178147.2 Ų147.283%0.83275%0.747SS**  cis-159.5146.2-12.1-119.8175.9-15.200113.7
529S38.3Very low38.1Very low87 Ų87148.6 Ų148.661%0.60874%0.744SS**  trans71.4112.7141.5-58.10000125.6
530Q37.8Very low38.1Very low169 Ų169145 Ų14579%0.7973%0.734SS**  68.6148.9127-56.8-172.3-0.400120.3
531Y36.2Very low38.1Very low187 Ų187143.9 Ų143.973%0.73373%0.734SS**  cis-158.5136.40.1-136-132.9000112.3
532F36.2Very low38.1Very low180 Ų180142.2 Ų142.279%0.78973%0.729SS**  32.6159.3124.2-80.9-112.3000122.9
533P41.9Very low38.2Very low111 Ų111142.3 Ų142.372%0.72173%0.733SS**  cis-146.8-135.3-24.444.9-21000116.1
534P48.4Very low37.9Very low104 Ų104142.8 Ų142.868%0.67574%0.735SS**  trans-141.3-139.3-130.343.5-16.2000116.8
535T35.4Very low37.8Very low116 Ų116140.2 Ų140.271%0.71273%0.734SS**  trans89.1152.6164.873.50000118.4
536Q36.9Very low37.2Very low163 Ų163142.5 Ų142.576%0.76274%0.735SS**  cis-162.5-173.8-9.5-121.6-175.597.600114
537Q40.2Very low37.4Very low176 Ų176137 Ų13782%0.82273%0.73SS**  trans89.6119.5168.4-53.8-178.5-5.900115.6
538S36.4Very low36.9Very low88 Ų88140.9 Ų140.962%0.61573%0.734SS**  cis81.6134.431.6-620000115
539Q36.3Very low36.6Very low161 Ų161140.3 Ų140.375%0.75274%0.735SS**  cis-151.8-150.5-4-114.1166.873.700108.1
540T37.5Very low36.1Very low103 Ų103139.7 Ų139.763%0.63274%0.735SS**  cis-166.8133.814.2-22.40000111.2
541N34.4Very low35.6Very low136 Ų136140.4 Ų140.473%0.72774%0.738SS**  trans59.6153.2145.6-64.4-4.9000122.1
542L35.2Very low35.4Very low132 Ų132136.9 Ų136.969%0.69174%0.741SS**  cis-159.4148.54.1-14761.7000112.7
543I37.2Very low34.9Very low136 Ų136137.5 Ų137.570%0.69774%0.744SS**  trans62.8129.1158.2-72.1155.1000118.6
544Q33.5Very low34.4Very low169 Ų169141.5 Ų141.579%0.7975%0.753SS**  cis95.9143.426-175-177.930.700114.1
545P34.7Very low33.6Very low119 Ų119144.6 Ų144.677%0.77376%0.759SS**  cis-124.3-178.8-9.934.7-15.9000115.9
546Q33.1Very low33.7Very low162 Ų162144.8 Ų144.876%0.75776%0.761SS**  trans-101163.2165.2-173.3-174.18.300110.8
547P39.6Very low33.4Very low120 Ų120141.2 Ų141.278%0.77975%0.754SS**  trans-136.7155.3135.738.4-27.9000115.3
548Q28.9Very low32.7Very low162 Ų162139.7 Ų139.776%0.75775%0.752SS**  trans-91.3171.8159.9-57.4165.2-57.100109.1
549I30Very low32.4Very low165 Ų165145.4 Ų145.485%0.84677%0.766SS**  165.2131.2125.2-86.2160.7000114.3
550A27.9Very low32.1Very low74 Ų74145.8 Ų145.861%0.61277%0.768SS**  trans36.1127.1147.800000125.1
551Q27.6Very low31.8Very low184 Ų184149.2 Ų149.286%0.8678%0.775SS**  49.5115.6119.6-56.7175.6-5.400121.1
552S32.4Very low31.7Very low114 Ų114149.3 Ų149.380%0.79777%0.77SS**  trans-151.5115.5134.658.80000112.4
553F25.2Very low31.6Very low192 Ų192148.3 Ų148.384%0.84277%0.766SS**  trans-25.4134.3142.8-80.3-103.5000115.2
554Q32.2Very low31.4Very low195 Ų195149.9 Ų149.991%0.91177%0.77SS**  -173.3157109.3-101.7174.5-400112.4
555Q31.8Very low31.4Very low170 Ų170147.4 Ų147.479%0.79477%0.769SS**  trans-125.5140.9-178.5-179.7-173.827.700109.3
556P37.4Very low31.5Very low119 Ų119150.3 Ų150.377%0.77377%0.772SS**  trans-125.2128.8141.429.8-16.9000110.2
557S29.9Very low31.3Very low88 Ų88151 Ų15162%0.61578%0.775SS**  cis98.193.648.2-73.30000112.4
558N25.6Very low30.9Very low144 Ų144152.9 Ų152.977%0.7777%0.774SS**  trans25.9134.1147.5-63.2-47.3000121
559F31Very low31Very low208 Ų208152 Ų15291%0.91277%0.77SS**  -134.1145.3127.7-105.6-84.7000110.5
560Q29Very low31.1Very low170 Ų170151.2 Ų151.279%0.79476%0.762SS**  trans-100.3179.6-177.3-61.9-175.8-7600112.4
561F32.3Very low31.2Very low175 Ų175154.7 Ų154.777%0.76877%0.77SS**  trans143.5136.2136.5-92.3-99.5000109.9
562Q31.2Very low31.3Very low137 Ų137152.1 Ų152.164%0.6477%0.766SS**  cis-168.6164.3-21.1-154.3-168.5-700109.9
563N33.8Very low31.2Very low112 Ų112150.5 Ų150.560%0.59976%0.76SS**  trans75.9144.4157.7-60.6-36.1000119.9
564Q31.7Very low31.3Very low168 Ų168147.6 Ų147.679%0.78575%0.753SS**  cis-165.9148.1-27.7-149176.332.100110.9
565P34.6Very low31.3Very low118 Ų118145.7 Ų145.777%0.76674%0.744SS**  trans-127.5146.2176.339.3-26.9000116.7
566Q35.7Very low31.2Very low179 Ų179143.4 Ų143.484%0.83674%0.742SS**  trans-146.3129.4160.3-67.2-168.6-8.500108
567Q29.4Very low31.2Very low176 Ų176143.2 Ų143.282%0.82274%0.741SS**  55.7137.189.1-56.9-166.633.900113.6
568Q32.4Very low31.2Very low160 Ų160143.8 Ų143.875%0.74875%0.751SS**  cis-157.8163.742.8-175.7162.340.500115.5
569Q30.6Very low31.4Very low144 Ų144141.7 Ų141.767%0.67375%0.748SS**  trans-26.8168163.8-73.2154.7-37.300120.2
570Q30.8Very low31.4Very low148 Ų148137.9 Ų137.969%0.69274%0.737SS**  cis179.5176.3-11.6175.8174.2-1.900109.6
571L31Very low31.5Very low147 Ų147136.1 Ų136.177%0.7773%0.729SS**  trans76.6154.7173.3-65.2104.1000117
572V29.3Very low31.7Very low130 Ų130137 Ų13779%0.78873%0.732SS**  cis158.6137-37.9150.60000109
573A30.3Very low31.9Very low80 Ų80137.1 Ų137.166%0.66173%0.733SS**  trans82.7129.1160.400000122.2
574N27.3Very low32.1Very low131 Ų131137.2 Ų137.270%0.70174%0.74SS**  trans84.8112.7136.1-74-17000123.8
575Q32Very low32.2Very low155 Ų155138.2 Ų138.272%0.72474%0.744SS**  74.8104.7121.4-63.7172.435.600120.6
576T30.8Very low32Very low123 Ų123140.6 Ų140.676%0.75575%0.745SS**  19.5152.6118.9510000121.2
577P36.9Very low32Very low115 Ų115141.3 Ų141.375%0.74775%0.748SS**  cis-139.5-159.2-21.540-20.5000112.6
578A30.5Very low32.1Very low99 Ų99141.9 Ų141.982%0.81875%0.751SS**  trans70.1155.3165.200000117.1
579S28Very low32.2Very low101 Ų101140.3 Ų140.371%0.70676%0.758SS**  cis-164.7174.4-27-1710000109.5
580N31.5Very low32.2Very low127 Ų127139.4 Ų139.468%0.67976%0.762SS**  trans83.3115.4157-58.8-12.7000120.2
581Q30.5Very low32.5Very low133 Ų133141.8 Ų141.862%0.62177%0.773SS**  61.2121.1128.5-59.7176.2-10.500120.2
582F36.5Very low32.6Very low194 Ų194143 Ų14385%0.85178%0.775SS**  -162.791.2104.8-109.2-75.7000112
583H35.4Very low32.6Very low139 Ų139141.5 Ų141.564%0.64477%0.77SS**  33.6147.9126.2-72.5104.6000124.2
584P39.2Very low32.7Very low115 Ų115145.8 Ų145.875%0.74778%0.776SS**  trans-106.1168.9-176.242.1-35.4000114.4
585Q34.5Very low32.8Very low188 Ų188148.1 Ų148.188%0.87978%0.783SS**  trans-155162.5148.1-124.9179.420.500115.7
586Q29.3Very low32.9Very low169 Ų169150.5 Ų150.579%0.7979%0.794SS**  trans-68.7158.8178.1-54.3156.8-1600112.5
587Q35.7Very low32.9Very low193 Ų193152.7 Ų152.790%0.90280%0.796SS**  -163.5156109.9-108.9175.714.600113.3
588Q31.5Very low32.8Very low188 Ų188157.3 Ų157.388%0.87981%0.805SS**  trans-95.7148.9175.2-62.2164.1-41.600109.9
589S34.3Very low33.1Very low127 Ų127157.3 Ų157.389%0.88880%0.799SS**  trans-148.7149.5144.953.30000109.7
590V31.9Very low33.7Very low126 Ų126160.1 Ų160.176%0.76481%0.805SS**  trans-118.7132.9-170.91750000108.8
591Q36.4Very low34.9Very low197 Ų197159.8 Ų159.892%0.92181%0.81SS**  trans-146.9132.3150.9-126.1167.912.300112.4
592Q32.5Very low35.8Very low172 Ų172159 Ų15980%0.80482%0.817SS**  trans-88.5153.3174.9-60.9165.7-37.400109.3
593S29.4Very low36.7Very low99 Ų99155.2 Ų155.269%0.69281%0.811SS**  167.2168.310357.20000113
594Q33.2Very low37.5Very low170 Ų170154.3 Ų154.379%0.79482%0.818SS**  trans72.591.4163.7-61.6-177.783.400118.2
595Q28.9Very low37.9Very low181 Ų181154.6 Ų154.685%0.84682%0.819SS**  26.6119.9120.7-60.7175.2-6.200118.1
596Q34.3Very low38.1Very low205 Ų205151.8 Ų151.896%0.95882%0.815SS**  -155.2161123.5-115.8163.654.800113.1
597Q30.8Very low38.2Very low169 Ų169149.9 Ų149.979%0.7982%0.819SS**  trans-110.3116.9-161173.1-179.5-36.400110.1S599Q597-S599 PolarHBondContact O-N 3.07Å
598F34.9Very low38.2Very low211 Ų211149.6 Ų149.693%0.92582%0.818SS**  trans-73.1115.8175.6-95.2-86.7000110.7
599S35.7Very low38.2Very low99 Ų99148 Ų14869%0.69282%0.815SS**PPolyproline II helixtrans-86150.1-175.2-60.70000111.9Q597Q597-S599 PolarHBondContact O-N 3.07Å
600L40.6Very low38.3Very low160 Ų160149.8 Ų149.884%0.83881%0.809SS**PPolyproline II helixtrans-67.9152.1171.6-76.178.7000111
601P57.6Low38.5Very low120 Ų120150.8 Ų150.878%0.77981%0.805SS**PPolyproline II helixtrans-66.5142.5168.629.4-34.6000111
602P50.1Low38.4Very low118 Ų118148.8 Ų148.877%0.76680%0.798SS**PPolyproline II helixtrans-78.2152-177.931.7-35.6000112.8
603P54.4Low38.4Very low114 Ų114146.7 Ų146.774%0.7479%0.792SS**PPolyproline II helixtrans-71.5157.3171.631.3-35.2000112
604P51.6Low38.7Very low120 Ų120148.2 Ų148.278%0.77979%0.792SS**PPolyproline II helixtrans-70.5142.9-176.828.8-35.4000112.6
605P48.6Very low38.8Very low120 Ų120147 Ų14778%0.77979%0.786SS**PPolyproline II helixtrans-75.6134-178.330.1-34.8000112.6C607P605-C607 PolarHBondContact O-N 3.45Å
606T38.2Very low39.1Very low129 Ų129146.4 Ų146.479%0.79178%0.783SS**  trans-72.4113.2172.148.10000111.3Q608T606-Q608 PolarHBondContact O-N 2.82Å
607C30.6Very low39.1Very low130 Ų130141.2 Ų141.288%0.87878%0.775SS**  trans-74.8115169.1-70.40000110.6P605P605-C607 PolarHBondContact O-N 3.45Å
608Q37.7Very low39.3Very low186 Ų186139.2 Ų139.287%0.86978%0.775SS**  trans-84.5172.7165.7-73.9-170.8-16.600111.5T606T606-Q608 PolarHBondContact O-N 2.82Å
609L31.6Very low39.2Very low155 Ų155137 Ų13781%0.81277%0.772SS**  trans-68.5171.9-172.7-147.975.2000113.7
610H35.7Very low39.1Very low165 Ų165140.1 Ų140.176%0.76478%0.78SS**  trans98.5139.2174.3-55.491.7000115.2
611Q36.1Very low39.1Very low147 Ų147137.8 Ų137.869%0.68778%0.775SS**  cis166.2120.5-25161.7-177.977.700105.4
612M35Very low37.9Very low155 Ų155136.5 Ų136.576%0.76477%0.769SS**  trans63.1155.7169.8-73.9-170.6-70.200117
613N32.5Very low37.2Very low128 Ų128139.4 Ų139.468%0.68477%0.772SS**  cis-146.7164-16.1-147.2-11.8000112.1
614L33.6Very low36.3Very low131 Ų131138.8 Ų138.869%0.68677%0.767SS**  trans-12.3147.8165.2-98.849000124
615Q35.8Very low35.4Very low145 Ų145140.6 Ų140.668%0.67877%0.765SS**  105.6127.4129.4-84.8170.115.900123.2
616Q35.9Very low34.9Very low168 Ų168142.5 Ų142.579%0.78576%0.763SS**  trans69145.9140.3-70.2172.816.700119.6
617A34.8Very low34.6Very low96 Ų96143.7 Ų143.779%0.79376%0.759SS**  cis-156.1171.8-10.900000112.2
618T33.5Very low34.8Very low127 Ų127142.6 Ų142.678%0.77975%0.745SS**  trans-68.5156.3-177.645.90000116.6
619N34.5Very low34.6Very low164 Ų164141.7 Ų141.788%0.87774%0.741SS**  -163.1154.9129.8-99.4-41.4000114.6
620L33.6Very low34.9Very low164 Ų164140 Ų14086%0.85974%0.739SS**  trans-123.5-162.4173.9-126.779.2000107.9
621P39.3Very low35Very low112 Ų112139.1 Ų139.173%0.72775%0.745SS**  cis-118.5-137.2-0.934.2-9.7000111
622S32.2Very low34.8Very low93 Ų93136.3 Ų136.365%0.6574%0.741SS**  cis-169.9170.9138.80000110.7
623Q36.3Very low34.5Very low179 Ų179137.7 Ų137.784%0.83674%0.744SS**  trans117.9137.7155.5-70.8-169.430.200116.9
624T34.8Very low34.5Very low101 Ų101138.5 Ų138.562%0.6275%0.748SS**  cis-168.3135.2-34.85.60000112.2
625Q33.5Very low34.3Very low158 Ų158140.2 Ų140.274%0.73875%0.752SS**  trans51.2166.9146.9-59.7176.516.300120.3
626Q37.2Very low34.2Very low160 Ų160142.5 Ų142.575%0.74876%0.763SS**  cis-138.9140.819.6-81.8-176.7-10.700110.8
627Q33.3Very low33.8Very low153 Ų153140 Ų14072%0.71577%0.765SS**  61.6144.888.7-74.6-167.1-4.900116
628N33.9Very low33.9Very low108 Ų108141.4 Ų141.458%0.57876%0.763SS**  cis-162.4173.77.9-101.5-15.5000108.5
629Q33.7Very low33.5Very low167 Ų167142.2 Ų142.278%0.7876%0.762SS**  cis-163.7166.2-11.2-117.4165.2-21.800110.2
630P37.8Very low33.7Very low118 Ų118142.1 Ų142.177%0.76676%0.756SS**  trans-126.6163-171.841.9-29.3000118.2
631V37Very low33.6Very low148 Ų148142.7 Ų142.790%0.89775%0.754SS**  trans-155.7163.6171-170.20000109.9
632S32.9Very low33.2Very low87 Ų87147.8 Ų147.861%0.60876%0.761SS**  -168.5157.1-64.7-163.30000111.7
633F28.2Very low33.6Very low185 Ų185148.6 Ų148.681%0.81176%0.764SS**  trans63.6158.7174.6-68.5-79.5000117.7
634N32.4Very low33.4Very low145 Ų145148.2 Ų148.278%0.77576%0.76SS**  cis-145177.315.5-155-3.5000113.9
635Q29.7Very low33.3Very low166 Ų166151.6 Ų151.678%0.77677%0.769SS**  trans-94.5155.8-176.3-51.3173.610.300114.6
636Q33.3Very low33.4Very low193 Ų193149.8 Ų149.890%0.90277%0.773SS**  trans-167.4157.6134.2-114.2171-400113.8
637S28.6Very low33.2Very low117 Ų117150.9 Ų150.982%0.81878%0.779SS**  trans-144.8145.4174.5580000110.5
638V35.5Very low33.5Very low125 Ų125148.4 Ų148.476%0.75878%0.775SS**  trans-143.9146.6-175.7-177.90000110.4
639N26.5Very low33.5Very low144 Ų144149.1 Ų149.177%0.7779%0.789SS**  trans-139.9126.5-172.816731.8000110.3
640H37.2Very low33.4Very low162 Ų162149.6 Ų149.675%0.7579%0.791SS**  trans-162.1170.2175-72.9108.4000111.1
641Q32.2Very low33.3Very low175 Ų175151 Ų15182%0.81880%0.797SS**  -153.1161.2-75.8-170.7155.7-57.600109.5
642Y30.2Very low33.1Very low219 Ų219151.6 Ų151.686%0.85979%0.79SS**  trans-59.7166.1-174.9-73.4-88.4000117
643P40.9Very low33.3Very low111 Ų111156 Ų15672%0.72180%0.801SS**  -142.7134.5107.735.7-20.9000118.7
644F32.6Very low33.7Very low171 Ų171152.5 Ų152.575%0.7580%0.797SS**  trans69.6124.9134.9-80.6-107.4000125.4
645Q33.2Very low33.7Very low172 Ų172152.7 Ų152.780%0.80480%0.797SS**  trans54136.8140.8-68.3176-12.500120.3
646S36.3Very low34.3Very low120 Ų120150.6 Ų150.684%0.83980%0.797SS**  cis-154.4169.940.149.70000115.2
647Q31.9Very low34.3Very low183 Ų183146.9 Ų146.986%0.85579%0.788SS**  trans-157.5178.8-178.4-128.5-161.93.700106.9
648P39Very low34.7Very low100 Ų100148.9 Ų148.965%0.64979%0.79SS**  cis-128.8-173.7-22.841.4-27.1000112.1
649S34.1Very low34.6Very low123 Ų123150.5 Ų150.586%0.8679%0.789SS**  trans-164.7134.5137.6-84.90000111.4
650Q33Very low34.9Very low177 Ų177154.8 Ų154.883%0.82779%0.794SS**  trans-113.1148.3166.2-71-171.3-3.500109.4
651V35.3Very low34.7Very low147 Ų147156.9 Ų156.989%0.89180%0.796SS**  trans-133.1120.6157.8-179.20000108.3
652Q32.3Very low34.8Very low161 Ų161157.4 Ų157.475%0.75280%0.798SS**  trans-110.7126.1-179.7174.4117.81.400109.4
653Q37.5Very low34.9Very low180 Ų180155.2 Ų155.284%0.84180%0.795SS**  trans-179.5161.5160.9-110.1163.180.800111.6
654P35.7Very low34.6Very low111 Ų111156.4 Ų156.472%0.72180%0.8SS**  -130.6172.2-69.936.7-19.6000113.1
655I32.1Very low34.8Very low150 Ų150154.7 Ų154.777%0.76980%0.804SS**  trans-85.4125.5170.9-61.5170.4000109.6
656P43.7Very low34.6Very low122 Ų122154.3 Ų154.379%0.79281%0.807SS**  trans-89.8106.3162.525.8-13.7000109.7
657T32.6Very low34.5Very low115 Ų115151.9 Ų151.971%0.70680%0.801SS**  trans-91.5120.1162.3-54.80000108.1
658D37.5Very low34.3Very low159 Ų159151.8 Ų151.885%0.8580%0.801SS**  trans-123.5136.9170.5-152-20.9000111
659Q32.9Very low34.1Very low159 Ų159153.5 Ų153.574%0.74381%0.809SS**  trans-121.4120.6-176.5-66.1-179.9-2.600109.1
660R33.7Very low33.9Very low234 Ų234155.9 Ų155.988%0.88381%0.807SS**  trans-175.3133.8141.5-105.1150.7-171.8-144.73.7116.3
661R32.4Very low34Very low206 Ų206153.4 Ų153.478%0.77780%0.804SS**  trans50106.3137-71.6178.2159.3-139.9-4.5120
662Q35Very low33.7Very low186 Ų186150.8 Ų150.887%0.86979%0.792SS**  161.2112.7123.9-87.8153.1105.100106
663Q32Very low33.6Very low172 Ų172150.9 Ų150.980%0.80480%0.796SS**  cis72.4127.327.2-150.6178.619.100113.9
664V34.5Very low33.4Very low136 Ų136146.2 Ų146.282%0.82479%0.788SS**  trans61141.8-169.1-119.20000112.2
665V35.4Very low33Very low135 Ų135146.6 Ų146.682%0.81879%0.788SS**  cis-135.715220.4177.20000111.7
666N29.7Very low33Very low164 Ų164146.7 Ų146.788%0.87780%0.795SS**  trans-90.8133.6174.2-149.89.8000110
667G33.8Very low32.3Very low70 Ų70145.9 Ų145.972%0.72279%0.789SS**  trans-154.5102.3-174.700000114.8
668Q28.8Very low32.3Very low181 Ų181144.7 Ų144.785%0.84679%0.79SS**  trans-81.9139.2163.2-64.9179-84.900110
669V34.8Very low32.1Very low136 Ų136144.1 Ų144.182%0.82479%0.786SS**  trans-136.1125.9155.8-1790000108.2
670Q29.3Very low32.1Very low172 Ų172143 Ų14380%0.80479%0.791SS**  trans-108.5124.8171.6-65.4173.5-75.800109.4
671T35.4Very low32Very low126 Ų126135.8 Ų135.877%0.77378%0.781SS**  trans-153.6125.9157.448.80000108.3
672S29.5Very low32.1Very low91 Ų91132 Ų13264%0.63678%0.783SS**  cis124.3124.4-3.368.80000111.3
673I29.9Very low32Very low164 Ų164129.1 Ų129.184%0.84178%0.778SS**  trans72.6141.6165.1-53.5151.8000113.7
674A32.1Very low32.1Very low81 Ų81125.9 Ų125.967%0.66977%0.772SS**  cis-124.6156.5-2.300000109.3
675V29Very low32Very low119 Ų119127.8 Ų127.872%0.72178%0.777SS**  cis76.993.735.3-173.80000114.6
676V31.4Very low31.9Very low152 Ų152124.1 Ų124.192%0.92177%0.766SS**  trans-129143.5143177.10000106.1
677T29.6Very low31.8Very low106 Ų106123 Ų12365%0.6577%0.765SS**  trans-147.5129.3-166.8-54.80000113
678A32.1Very low31.7Very low89 Ų89125.7 Ų125.774%0.73677%0.773SS**  trans-139.7110.1151.500000105.1
679L32.4Very low31.7Very low148 Ų148126 Ų12678%0.77577%0.774SS**  64.7123.778.6-62.9168000110.8
680T33.6Very low31.6Very low136 Ų136129 Ų12983%0.83478%0.78SS**  cis-147.6151.925.1-37.20000112.2
681A31Very low31.5Very low81 Ų81127.8 Ų127.867%0.66978%0.779SS**  trans-126.1171.9169.100000109.6
682P35.9Very low31.2Very low127 Ų127127.8 Ų127.883%0.82578%0.783SS**  -148.5147101.337.1-21000116.6
683T31Very low31.2Very low125 Ų125131.7 Ų131.777%0.76779%0.791SS**  trans-81167156-20.10000109.5
684P35.6Very low31.5Very low105 Ų105129 Ų12968%0.68278%0.784SS**  -159.9174.790.843.6-24.6000117.8
685L32.8Very low31.5Very low175 Ų175132.5 Ų132.592%0.91679%0.791SS**  trans63.3154.7165.1-87.866.4000117.6
686G32.3Very low31.5Very low58 Ų58135.1 Ų135.160%0.59880%0.795SS**  cis169.6124.2-10.200000114.4
687T28.2Very low31.6Very low141 Ų141136.9 Ų136.987%0.86579%0.793SS**  trans49.5118.4158.756.90000121.2
688S30.6Very low31.7Very low126 Ų126139.8 Ų139.888%0.88180%0.799SS**  -177.1154.3110.243.50000112.2
689Q29.2Very low31.9Very low187 Ų187140.6 Ų140.687%0.87480%0.797SS**  trans-100.8149172.4-64.6177.9-6.100110.2
690Q32.5Very low31.7Very low201 Ų201139.5 Ų139.594%0.93979%0.792SS**  trans-153.3157147.1-115.4167.326.500111.8
691N26.4Very low31.7Very low146 Ų146138.4 Ų138.478%0.78179%0.785SS**  trans-139.7124.4-163.2169.622.6000110
692C29Very low31.7Very low126 Ų126141.2 Ų141.285%0.85179%0.789SS**  trans-141.392.1179.6-75.40000113.2
693Q29.7Very low31.6Very low173 Ų173140.5 Ų140.581%0.80878%0.782SS**  trans-70.2172135.5-85.6-173.1-11.900108.7
694P36.2Very low31.7Very low107 Ų107140.5 Ų140.570%0.69578%0.782SS**  cis-161.2-171.640.943.4-18.7000120.8
695L32.2Very low31.6Very low155 Ų155142.8 Ų142.881%0.81279%0.789SS**  trans89.2152.2141.4-116.872.6000122
696Q29.4Very low31.7Very low174 Ų174140.3 Ų140.381%0.81378%0.783SS**  trans-112.4156.6-175.7-58167.8-15.800111
697Q33.4Very low31.7Very low188 Ų188141.1 Ų141.188%0.87979%0.791SS**  trans-159.3146.9134.6-115.6145.6104.300113.7
698Q32.3Very low32Very low167 Ų167141.1 Ų141.178%0.7879%0.786SS**  trans-93.6-175.9174.2-109.4-177.8-21.500109.6
699P35.5Very low32.2Very low106 Ų106140.5 Ų140.569%0.68877%0.773SS**  cis-139.1173.817.640.7-20.9000118.1
700N29.6Very low32.4Very low126 Ų126137.9 Ų137.967%0.67477%0.765SS**  trans21.4152.6138.2-44.5-17.5000120.7
701T33.2Very low32.5Very low112 Ų112135.8 Ų135.869%0.68776%0.76SS**  cis-157150.836.452.60000114.1
702N30.7Very low32.7Very low141 Ų141136.6 Ų136.675%0.75477%0.765SS**  trans44147.9130.1-56.1-1.1000121.4
703T32.9Very low33Very low111 Ų111137.4 Ų137.468%0.68176%0.76SS**  cis-165.3155.914-6.50000111.8
704T34.3Very low33.1Very low125 Ų125137.4 Ų137.477%0.76777%0.765SS**  trans53.8153.3153.548.90000120.3
705N31.9Very low32.9Very low153 Ų153137.3 Ų137.382%0.81877%0.767SS**  cis179.3168.9-28.9-123.37.3000104.9
706P36.5Very low32.9Very low123 Ų123133.1 Ų133.180%0.79976%0.761SS**  trans-127.8179.9-136.643-30.3000116.9
707G32.5Very low32.9Very low75 Ų75133.1 Ų133.177%0.77377%0.767SS**  trans130.5149.6165.500000113.2
708N33.9Very low32.8Very low141 Ų141128.5 Ų128.575%0.75476%0.761SS**  cis-160.6170.3-9.5-168.316.6000110
709N33.7Very low32.6Very low113 Ų113127.8 Ų127.860%0.60476%0.762SS**  trans77.1105.3162.7-60.7-40.1000120
710N33.6Very low32.3Very low132 Ų132129.8 Ų129.871%0.70677%0.765SS**  66.296.6121.8-52.5-13.8000120.1
711N34.7Very low32.4Very low158 Ų158130.1 Ų130.185%0.84577%0.765SS**  -167.188.1118.1-93.9-25.4000108.8L713N711-L713 PolarHBondContact O-N 2.94Å
712N30.9Very low32.2Very low162 Ų162128.3 Ų128.387%0.86676%0.761SS**  trans-87.595-169.4-151.232.7000111.6
713L36.6Very low32.2Very low144 Ų144126.4 Ų126.475%0.75476%0.76SS**  trans-73.1165.7167.3-88.170.6000111.2N711 S715N711-L713 PolarHBondContact O-N 2.94Å; L713-S715 PolarHBondContact O-N 2.86Å
714N30.2Very low32Very low172 Ų172128.4 Ų128.492%0.9277%0.766SS**  trans-33.7116.5176.3-75.4-19.2000115.2
715S33.5Very low31.9Very low106 Ų106130 Ų13074%0.74177%0.77SS**  trans-116.5146140.152.50000107.5L713L713-S715 PolarHBondContact O-N 2.86Å
716G30.8Very low31.8Very low66 Ų66133.9 Ų133.968%0.6877%0.773SS**  cis129.8107.52.300000110.2
717N29.4Very low31.4Very low175 Ų175134.3 Ų134.394%0.93678%0.777SS**  trans-153.870.5168.4-102.6-23000109.2L719N717-L719 PolarHBondContact O-N 2.85Å
718A31.5Very low31.4Very low91 Ų91138.4 Ų138.475%0.75278%0.78SS**  trans-81.4106.4169.100000108.8I720A718-I720 PolarHBondContact O-N 2.05Å
719L28Very low31.1Very low152 Ų152136.7 Ų136.780%0.79678%0.78SS**  trans-78.183.6-179.1-168.674.4000111N717 I721N717-L719 PolarHBondContact O-N 2.85Å; L719-I721 HydrophobicContact CD2-CD1 3.95Å; L719-I721 HydrophobicContact CD2-CG1 4.07Å; L719-I721 HydrophobicContact CG-CD1 4.44Å; L719-I721 HydrophobicContact CG-CG1 3.99Å; L719-I721 PolarHBondContact O-N 3.39Å; L719-I721 VanDerWaalsContact O-N 3.1Å
720I30.5Very low30.8Very low148 Ų148140.2 Ų140.276%0.75980%0.795SS**  trans-77.292.8173.3-57.1178.4000109.1A718 A722A718-I720 PolarHBondContact O-N 2.05Å; I720-A722 HydrophobicContact CG2-CB 4.32Å; I720-A722 PolarHBondContact O-N 2.93Å; I720-A722 VanDerWaalsContact O-N 3.14Å
721I31.4Very low30.5Very low133 Ų133139.1 Ų139.168%0.68280%0.798SS**  trans-79.590.5167.9-55.7-175.8000108.8L719 S723L719-I721 HydrophobicContact CD2-CD1 3.95Å; L719-I721 HydrophobicContact CD2-CG1 4.07Å; L719-I721 HydrophobicContact CG-CD1 4.44Å; L719-I721 HydrophobicContact CG-CG1 3.99Å; L719-I721 PolarHBondContact O-N 3.39Å; L719-I721 VanDerWaalsContact O-N 3.1Å; I721-S723 PolarHBondContact O-N 2.93Å
722A28.4Very low30.4Very low73 Ų73137.8 Ų137.860%0.60380%0.797SS**  trans-94.181171.300000110.6I720 N724I720-A722 HydrophobicContact CG2-CB 4.32Å; I720-A722 PolarHBondContact O-N 2.93Å; I720-A722 VanDerWaalsContact O-N 3.14Å; A722-N724 VanDerWaalsContact C-N 3.29Å; A722-N724 PolarHBondContact O-N 3.38Å
723S30.9Very low30.4Very low102 Ų102136 Ų13671%0.71379%0.792SS**  trans-76.472179.142.80000112.7I721 N725I721-S723 PolarHBondContact O-N 2.93Å; S723-N725 PolarHBondContact O-N 2.99Å
724N29.5Very low30Very low153 Ų153134.1 Ų134.182%0.81879%0.792SS**  trans-65.196.2170.5-88.5-42.5000111.6A722A722-N724 VanDerWaalsContact C-N 3.29Å; A722-N724 PolarHBondContact O-N 3.38Å
725N31.7Very low30Very low157 Ų157134.4 Ų134.484%0.8479%0.791SS**  trans-123.696.5165.7-93.9-22.2000110.6S723S723-N725 PolarHBondContact O-N 2.99Å
726R29.6Very low29.8Very low236 Ų236132 Ų13289%0.89178%0.784SS**  trans-84.6122.5161.6-79.2-174.3174-168.8-1.1109
727C28.9Very low29.8Very low132 Ų132135.5 Ų135.589%0.89279%0.792SS**  trans-128.1144.1152-820000107.9
728L31.5Very low30.1Very low160 Ų160135 Ų13584%0.83879%0.789SS**  trans-103139.7-166.5-75.1163.8000111.7
729S26.9Very low30.5Very low106 Ų106135.2 Ų135.274%0.74179%0.785SS**  trans47.3112.3144.2-168.60000118.8
730M29.1Very low31.3Very low186 Ų186134.5 Ų134.592%0.91678%0.781SS**  -158.3136.5105.4-108.3179.6173.500111.1
731S25.6Very low32.7Very low110 Ų110130.9 Ų130.977%0.76977%0.766SS**  trans-98.7152-179.1-41.50000111.5
732P32.8Very low33.5Very low129 Ų129131.6 Ų131.684%0.83877%0.767SS**  trans-107.8168.6133.934.2-31.1000110.9
733T31.5Very low34.6Very low124 Ų124131 Ų13176%0.76176%0.762SS**  trans-114.6150.8-165.346.70000114.6
734S27.8Very low36Very low106 Ų106129.9 Ų129.974%0.74175%0.748SS**  trans75162.2154.175.30000118.7
735I31.4Very low37.5Very low178 Ų178127.9 Ų127.991%0.91373%0.734SS**  trans68.8128.2-168.4-44.6169000111.7
736G29.7Very low39.1Very low56 Ų56125.7 Ų125.758%0.57772%0.719SS**  cis-168152.8-7.400000109.3
737T30.6Very low40.7Very low138 Ų138117.4 Ų117.485%0.84770%0.7SS**  trans-100.198.8177.250.10000110S739T737-S739 VanDerWaalsContact C-N 3.34Å; T737-S739 PolarHBondContact O-N 2.79Å
738D35.2Very low42.2Very low165 Ų165114 Ų11488%0.88268%0.682SS**  trans-7686.4177.8-64.1-39.2000110.6
739S39.9Very low43.6Very low96 Ų96112.2 Ų112.267%0.67167%0.671SS**  trans-71.6122.5161.756.40000108.9T737 T741T737-S739 VanDerWaalsContact C-N 3.34Å; T737-S739 PolarHBondContact O-N 2.79Å; S739-T741 PolarHBondContact O-N 2.73Å
740L45.2Very low45.2Very low136 Ų136110 Ų11071%0.71266%0.659SS**  trans-38.9123.3167.1-78.6161.5000110.2D744L740-D744 HydrophobicContact CD2-CB 4.23Å
741T58.2Low46.5Very low73 Ų73107.7 Ų107.745%0.44865%0.65SS.*  trans-75.5158.7-173.873.50000110.4S739 A743 D744 Q745S739-T741 PolarHBondContact O-N 2.73Å; T741-A743 PolarHBondContact O-N 3.02Å; T741-A743 VanDerWaalsContact O-N 3.16Å; T741-A743 PolarHBondContact OG1-N 2.9Å; T741-D744 WeakPolarHBondContact CA-OD2 3.32Å; T741-D744 VanDerWaalsContact CB-OD2 3.31Å; T741-D744 WeakPolarHBondContact CB-OD2 3.49Å; T741-D744 PolarHBondContact N-OD2 3.47Å; T741-D744 PolarHBondContact O-N 3.39Å; T741-D744 VanDerWaalsContact OG1-CG 3.26Å; T741-D744 PolarHBondContact OG1-N 3.09Å; T741-D744 PolarHBondContact OG1-OD2 2.93Å; T741-Q745 PolarHBondContact O-N 2.91Å
742E49Very low47.9Very low147 Ų147108.2 Ų108.269%0.68764%0.643SS**Hα-helixtrans-60-26.2175.1-162.517616800111.7Q746E742-Q746 WeakPolarHBondContact O-CB 2.97Å; E742-Q746 VanDerWaalsContact O-CG 3.25Å; E742-Q746 WeakPolarHBondContact O-CG 3.04Å; E742-Q746 PolarHBondContact O-N 2.93Å
743A52.1Low48.8Very low62 Ų62104 Ų10451%0.51262%0.62SS.*Hα-helixtrans-68.5-37.8172.600000112.8T741 Q746 A747T741-A743 PolarHBondContact O-N 3.02Å; T741-A743 VanDerWaalsContact O-N 3.16Å; T741-A743 PolarHBondContact OG1-N 2.9Å; A743-Q746 PolarHBondContact O-N 3.09Å; A743-A747 WeakPolarHBondContact O-CB 3.49Å; A743-A747 PolarHBondContact O-N 2.85Å
744D59.9Low49.7Very low78 Ų78101.3 Ų101.342%0.41761%0.61SS.*Hα-helixtrans-68.2-40.2177.6-55-54.8000111.1L740 T741 A747 A748L740-D744 HydrophobicContact CD2-CB 4.23Å; T741-D744 WeakPolarHBondContact CA-OD2 3.32Å; T741-D744 VanDerWaalsContact CB-OD2 3.31Å; T741-D744 WeakPolarHBondContact CB-OD2 3.49Å; T741-D744 PolarHBondContact N-OD2 3.47Å; T741-D744 PolarHBondContact O-N 3.39Å; T741-D744 VanDerWaalsContact OG1-CG 3.26Å; T741-D744 PolarHBondContact OG1-N 3.09Å; T741-D744 PolarHBondContact OG1-OD2 2.93Å; D744-A747 PolarHBondContact O-N 3.25Å; D744-A748 WeakPolarHBondContact O-CB 3.3Å; D744-A748 PolarHBondContact O-N 3.17Å
745Q61.7Low50.5Low111 Ų11199.6 Ų99.652%0.51960%0.602SS.*Hα-helixtrans-66.1-37.7173.1-69.2-167.7-1000112.3T741 M749T741-Q745 PolarHBondContact O-N 2.91Å; Q745-M749 HydrophobicContact CB-CE 4.28Å; Q745-M749 WeakPolarHBondContact O-CB 3.24Å; Q745-M749 WeakPolarHBondContact O-CE 3.45Å; Q745-M749 PolarHBondContact O-N 3.01Å
746Q65.1Low51.3Low111 Ų11195.8 Ų95.852%0.51959%0.587SS.*Hα-helixtrans-68-37.6173.6-74.6176.618.300112.2E742 A743 M749 A750E742-Q746 WeakPolarHBondContact O-CB 2.97Å; E742-Q746 VanDerWaalsContact O-CG 3.25Å; E742-Q746 WeakPolarHBondContact O-CG 3.04Å; E742-Q746 PolarHBondContact O-N 2.93Å; A743-Q746 PolarHBondContact O-N 3.09Å; Q746-M749 PolarHBondContact O-N 3.14Å; Q746-A750 VanDerWaalsContact O-CB 3.3Å; Q746-A750 WeakPolarHBondContact O-CB 3.47Å; Q746-A750 PolarHBondContact O-N 2.79Å
747A63.1Low52Low61 Ų61101 Ų10150%0.50460%0.597SS.*Hα-helixtrans-64.1-44.9174.300000111.7A743 D744 A750 L751A743-A747 WeakPolarHBondContact O-CB 3.49Å; A743-A747 PolarHBondContact O-N 2.85Å; D744-A747 PolarHBondContact O-N 3.25Å; A747-A750 PolarHBondContact O-N 3.17Å; A747-L751 PolarHBondContact O-N 3.06Å
748A59.2Low52.3Low62 Ų6297.3 Ų97.351%0.51259%0.586SS.*Hα-helixtrans-61.8-43.2175.200000112.4D744 L751 L752D744-A748 WeakPolarHBondContact O-CB 3.3Å; D744-A748 PolarHBondContact O-N 3.17Å; A748-L751 PolarHBondContact O-N 3.09Å; A748-L752 WeakPolarHBondContact O-CB 3.46Å; A748-L752 PolarHBondContact O-N 3.36Å
749M62.4Low52.3Low121 Ų12197.3 Ų97.360%0.59658%0.582SS**Hα-helixtrans-66.8-36.5174.8-83.6-176.4-87.400113Q745 Q746 L752 A753Q745-M749 HydrophobicContact CB-CE 4.28Å; Q745-M749 WeakPolarHBondContact O-CB 3.24Å; Q745-M749 WeakPolarHBondContact O-CE 3.45Å; Q745-M749 PolarHBondContact O-N 3.01Å; Q746-M749 PolarHBondContact O-N 3.14Å; M749-L752 PolarHBondContact O-N 2.74Å; M749-A753 WeakPolarHBondContact O-CB 3.45Å; M749-A753 PolarHBondContact O-N 3.03Å
750A59.1Low51.9Low61 Ų61100.3 Ų100.350%0.50459%0.591SS.*Hα-helixtrans-66.8-39.2175.200000112.2Q746 A747 A753 A754Q746-A750 VanDerWaalsContact O-CB 3.3Å; Q746-A750 WeakPolarHBondContact O-CB 3.47Å; Q746-A750 PolarHBondContact O-N 2.79Å; A747-A750 PolarHBondContact O-N 3.17Å; A750-A753 PolarHBondContact O-N 2.8Å; A750-A754 WeakPolarHBondContact O-CB 3.19Å; A750-A754 PolarHBondContact O-N 3.19Å
751L56.4Low51.2Low136 Ų13699.5 Ų99.571%0.71259%0.592SS**Hα-helixtrans-65.7-42.2175.8-15288.4000111.4A747 A748 A754 A755A747-L751 PolarHBondContact O-N 3.06Å; A748-L751 PolarHBondContact O-N 3.09Å; L751-A754 PolarHBondContact O-N 3.16Å; L751-A755 WeakPolarHBondContact O-CB 3.22Å; L751-A755 PolarHBondContact O-N 3.42Å
752L55.7Low49.9Very low121 Ų121106.1 Ų106.163%0.63462%0.615SS**Hα-helixtrans-65.8-40.3176.8-169.267.9000111.8A748 M749 A755 T756A748-L752 WeakPolarHBondContact O-CB 3.46Å; A748-L752 PolarHBondContact O-N 3.36Å; M749-L752 PolarHBondContact O-N 2.74Å; L752-A755 PolarHBondContact O-N 3.31Å; L752-T756 PolarHBondContact O-N 3.21Å; L752-T756 VanDerWaalsContact O-N 3.09Å; L752-T756 PolarHBondContact O-OG1 3.47Å
753A50.8Low49Very low42 Ų42109.1 Ų109.135%0.34762%0.62SS.*Hα-helixtrans-61.6-48.2173.900000111.5M749 A750 A755 T756 E757M749-A753 WeakPolarHBondContact O-CB 3.45Å; M749-A753 PolarHBondContact O-N 3.03Å; A750-A753 PolarHBondContact O-N 2.8Å; A753-A755 VanDerWaalsContact C-N 3.29Å; A753-A755 PolarHBondContact O-N 3Å; A753-T756 WeakPolarHBondContact CA-OG1 3.33Å; A753-T756 PolarHBondContact O-N 2.84Å; A753-T756 PolarHBondContact O-OG1 3.09Å; A753-E757 PolarHBondContact O-N 2.95Å
754A50.3Low48Very low66 Ų66113.3 Ų113.355%0.54563%0.629SS.*Hα-helixtrans-60.4-37.1176.900000112.7A750 L751 T756 E757 G758A750-A754 WeakPolarHBondContact O-CB 3.19Å; A750-A754 PolarHBondContact O-N 3.19Å; L751-A754 PolarHBondContact O-N 3.16Å; A754-T756 VanDerWaalsContact C-N 3.33Å; A754-T756 PolarHBondContact O-N 3.2Å; A754-E757 PolarHBondContact O-N 3.19Å; A754-G758 PolarHBondContact O-N 3.09Å
755A46.4Very low46.5Very low71 Ų71117.1 Ų117.159%0.58765%0.649SS**Hα-helixtrans-65.4-33.4173.300000112.7L751 L752 A753L751-A755 WeakPolarHBondContact O-CB 3.22Å; L751-A755 PolarHBondContact O-N 3.42Å; L752-A755 PolarHBondContact O-N 3.31Å; A753-A755 VanDerWaalsContact C-N 3.29Å; A753-A755 PolarHBondContact O-N 3Å
756T47.1Very low45.2Very low97 Ų97120 Ų12060%0.59566%0.663SS**Hα-helixtrans-79.7-26.3176.254.30000114.6L752 A753 A754L752-T756 PolarHBondContact O-N 3.21Å; L752-T756 VanDerWaalsContact O-N 3.09Å; L752-T756 PolarHBondContact O-OG1 3.47Å; A753-T756 WeakPolarHBondContact CA-OG1 3.33Å; A753-T756 PolarHBondContact O-N 2.84Å; A753-T756 PolarHBondContact O-OG1 3.09Å; A754-T756 VanDerWaalsContact C-N 3.33Å; A754-T756 PolarHBondContact O-N 3.2Å
757E43.7Very low43.7Very low167 Ų167121 Ų12178%0.7868%0.677SS**Hα-helixtrans-84.3-8.5-179.5-69-173.1170.800113.8A753 A754A753-E757 PolarHBondContact O-N 2.95Å; A754-E757 PolarHBondContact O-N 3.19Å
758G37.3Very low41.9Very low60 Ų60124.4 Ų124.462%0.61969%0.691SS**THydrogen-bonded Turntrans-85-3.7-179.900000116.7A754A754-G758 PolarHBondContact O-N 3.09Å
759M35.6Very low40.7Very low164 Ų164127.7 Ų127.781%0.80871%0.707SS**SBendtrans-96-7.8-161-15172.3168.900115.9
760D31.5Very low39Very low159 Ų159127 Ų12785%0.8572%0.715SS**SBendtrans-12329.2-161.2-102.1-39000115.7
761T31.3Very low37.7Very low120 Ų120129.6 Ų129.674%0.73673%0.729SS**  trans-135.631.4-179.952.20000117.1
762F30.8Very low36.7Very low211 Ų211131.7 Ų131.793%0.92574%0.74SS**  trans-130.977.3171.7-94.7-83.8000114
763R29.5Very low35.6Very low210 Ų210134 Ų13479%0.79275%0.747SS**  trans-153149.4162.4-116-177.865.9122.15.8111.9
764E30.3Very low34.7Very low151 Ų151136.8 Ų136.871%0.70676%0.764SS**  trans66.482.6171.6-63.7178.789.600117.2
765N29.7Very low34.1Very low158 Ų158139.2 Ų139.285%0.84578%0.775SS**  -161.2160.9123.9-112.4-61000113.6
766Q33.7Very low33.4Very low171 Ų171142.7 Ų142.780%0.79978%0.782SS**  trans62.893.3175.1-59.2-179.426.100116
767T33.3Very low32.7Very low133 Ų133143.9 Ų143.982%0.81679%0.791SS**  77.7119.773.860.20000116
768T26.6Very low32Very low132 Ų132142.2 Ų142.281%0.8179%0.786SS**  trans-92.3160.1177.7460000113.6
769P32.5Very low31.8Very low130 Ų130145.6 Ų145.684%0.84480%0.795SS**  trans-111.9145.6147.335.6-27.9000111.6
770S28.3Very low31.4Very low108 Ų108144.4 Ų144.476%0.75579%0.792SS**  trans-109.8138179.9-56.60000111.5
771S32Very low31.5Very low115 Ų115144.5 Ų144.580%0.80479%0.792SS**  trans159.9125.4131.149.40000113.8
772L34.4Very low31.3Very low180 Ų180146.2 Ų146.294%0.94280%0.797SS**  -171.2146.8130-104.1161.7000109.4
773Q32.3Very low31.4Very low168 Ų168144.2 Ų144.279%0.78579%0.794SS**  trans-127.8107.1-149.7-176.883-3.100112.8
774S32.9Very low31.4Very low101 Ų101139.5 Ų139.571%0.70679%0.793SS**  trans54.4-171.9142.997.60000117.5
775P37.7Very low31.4Very low118 Ų118143.3 Ų143.377%0.76680%0.801SS**  cis-118.2172.35.341.8-28.4000116.6
776I31.4Very low31.3Very low143 Ų143143.3 Ų143.373%0.73380%0.8SS**  trans-118.1143.9172-54.6160.8000107.9I778I776-I778 HydrophobicContact CG2-CG1 4.06Å
777P32.4Very low31.3Very low122 Ų122142 Ų14279%0.79280%0.799SS**  trans-98.4109.815933.2-25.4000111.1
778I27.7Very low31Very low132 Ų132139.7 Ų139.768%0.67779%0.788SS**  trans-92.4132.9165.9-62.6172.9000108.1I776I776-I778 HydrophobicContact CG2-CG1 4.06Å
779V34.6Very low31.3Very low132 Ų132139.6 Ų139.680%0.879%0.791SS**  trans-129.6100.8163.5-175.60000109.1
780N27.4Very low31.2Very low139 Ų139140.7 Ų140.774%0.74379%0.789SS**  trans-73.3140.2162.1-79.4-16.3000109.1
781N32.2Very low31.3Very low160 Ų160142.8 Ų142.886%0.85679%0.792SS**  trans-157.8133138.1-107-31.7000111.5
782N27.9Very low31.2Very low157 Ų157144 Ų14484%0.8480%0.795SS**  trans-77.8133.6170.6-59.8-50.6000109.1
783I33.7Very low31.1Very low169 Ų169141.2 Ų141.287%0.86779%0.785SS**  trans-162.4137.6147.6-102.3146.6000109.2
784S28.7Very low31Very low110 Ų110138.8 Ų138.877%0.76978%0.782SS**  trans-91.1123.3-179.253.80000112.7
785R30.1Very low30.9Very low232 Ų232141 Ų14188%0.87579%0.786SS**  trans-169.1130.4156.3-99.2153-171.7-175.21.2105.3
786L28.1Very low30.6Very low158 Ų158140.5 Ų140.583%0.82778%0.781SS**  cis60.176.345.2-138.490.1000112.6
787D32.1Very low30.6Very low144 Ų144139.3 Ų139.377%0.7778%0.781SS**  trans-172.9138.1137.2-89.5-38.7000107.3
788S28.6Very low30.6Very low83 Ų83139.9 Ų139.958%0.5878%0.777SS**  cis87.786.236.1104.60000113.9
789C31.4Very low30.8Very low131 Ų131139.2 Ų139.289%0.88578%0.779SS**  trans-149.389.1170.6-75.50000105.2
790L31.6Very low30.7Very low153 Ų153138.2 Ų138.280%0.80177%0.774SS**  cis58.894.549.1-120.495.8000112.9
791N31.1Very low31.1Very low151 Ų151138 Ų13881%0.80777%0.773SS**  trans-166.571.6133.3-102.3-20.6000111.1
792T29.3Very low31.3Very low142 Ų142136.3 Ų136.387%0.87176%0.763SS**  trans-111.871.3165.7-50.30000108.8
793T32.7Very low31.7Very low120 Ų120134.9 Ų134.974%0.73676%0.756SS**  trans-84.1114.7175.9-550000109.5N795T793-N795 PolarHBondContact O-N 3.35Å
794T28.7Very low31.8Very low117 Ų117133.3 Ų133.372%0.71875%0.749SS**  trans-66120.7175.548.60000111.4
795N31.7Very low32.2Very low147 Ų147134.3 Ų134.379%0.78675%0.746SS**  trans-158.996.6148.6-109.1-28.8000114.6T793T793-N795 PolarHBondContact O-N 3.35Å
796T31.9Very low32.5Very low108 Ų108129 Ų12966%0.66374%0.735SS**  38.198.9121-26.30000119.6
797T30.1Very low32.6Very low119 Ų119129 Ų12973%0.7374%0.735SS**  trans71.614914160.40000122.9
798N32.9Very low32.8Very low134 Ų134126.6 Ų126.672%0.71774%0.736SS**  trans89.488.9150.2-66.6-7.7000121.7
799T31.4Very low33Very low117 Ų117132 Ų13272%0.71875%0.752SS**  76.4128.3121.2520000123.1
800T32.8Very low33.1Very low112 Ų112131.7 Ų131.769%0.68775%0.745SS**  trans77.8113.513948.10000122.5
801N35.4Very low33.5Very low135 Ų135130.5 Ų130.572%0.72275%0.747SS**  98.9130.8121.6-69.91.8000122.3
802N36.4Very low33.7Very low124 Ų124128.7 Ų128.766%0.66374%0.741SS**  trans82.699.9143-64-5.1000121.6
803N37.7Very low34Very low126 Ų126130 Ų13067%0.67474%0.743SS**  67.8121.8118.1-55.2-10.7000121.1
804N36.2Very low34Very low137 Ų137132.1 Ų132.173%0.73375%0.745SS**  trans56.8120.5130.2-55.33.5000117.7
805N36Very low34.5Very low130 Ų130134.4 Ų134.470%0.69575%0.752SS**  -172.1152.455.5-110.9-15.6000114.1
806N35.7Very low35.1Very low122 Ų122134.1 Ų134.165%0.65275%0.751SS**  trans65.5121.3141.3-58.6-12.7000123.7
807N31.7Very low36.3Very low156 Ų156133.7 Ų133.783%0.83475%0.75SS**  trans69.7105.4135.2-63.1-0000122
808A34.8Very low37.2Very low94 Ų94133.9 Ų133.978%0.77775%0.753SS**  trans-155.195.8135.800000113.1
809Q34.6Very low37.5Very low198 Ų198134 Ų13493%0.92576%0.761SS**  trans58.7153.7149.8-61.5-179.4-91.900122.1
810V32.3Very low37.6Very low123 Ų123131.6 Ų131.675%0.74576%0.759SS**  trans-132.7139.6-174.6167.70000108.8V812V810-V812 HydrophobicContact CG1-CG2 4.35Å
811P39.7Very low37.6Very low129 Ų129137.6 Ų137.684%0.83877%0.771SS**  trans-92.2139152-6.526.2000110.5
812V35.1Very low37.6Very low112 Ų112138.9 Ų138.968%0.67978%0.778SS**  trans-98.3139.7174.7177.40000108.7V810 E814V810-V812 HydrophobicContact CG1-CG2 4.35Å; V812-E814 HydrophobicContact CG1-CG 4.05Å
813D36.2Very low37.7Very low170 Ų170142.2 Ų142.291%0.90979%0.79SS**  trans-137.6135.1153.6-104.1-43.3000108.1
814E32.1Very low37.5Very low165 Ų165140.4 Ų140.477%0.77179%0.792SS**  trans-106.5125.3-176.2-64.5-173.3109.600110.5V812V812-E814 HydrophobicContact CG1-CG 4.05Å
815D40.1Very low37.5Very low164 Ų164142.3 Ų142.388%0.87780%0.801SS**  trans-14878.4169.8-132.4-18.3000110.3
816N43.6Very low37.4Very low142 Ų142139.3 Ų139.376%0.75980%0.801SS**PPolyproline II helixtrans-87.4120.5177.1-85.4-45.9000110.3
817P58.1Low37.2Very low98 Ų98141.6 Ų141.664%0.63681%0.812SS**PPolyproline II helixtrans-67.4148.4172.429.5-34.5000111
818P49.1Very low37.4Very low123 Ų123139.7 Ų139.780%0.79980%0.801SS**PPolyproline II helixtrans-67.1141.9-175.927-35000112.5
819P38.4Very low37.3Very low137 Ų137143.9 Ų143.989%0.8980%0.804SS**PPolyproline II helixtrans-85.2139.8179.333.2-34.3000112.9
820G34Very low37.2Very low66 Ų66140.2 Ų140.268%0.6879%0.791SS**  trans134.4132.3174.200000111.7
821Y32.9Very low37.3Very low238 Ų238141 Ų14193%0.93379%0.791SS**  cis-127.2132.10.3-82.9-111.8000110.1
822D34.4Very low37Very low163 Ų163145.2 Ų145.287%0.87280%0.796SS**  trans-107.5126.4156.8-99-46.9000107.4
823E38.5Very low36.8Very low193 Ų193148 Ų14890%0.90280%0.804SS**  -179.5165.2129.8-106.9-172.4-151.300113.6
824A34.3Very low36.8Very low89 Ų89147.1 Ų147.174%0.73680%0.799SS**  trans74.275.3159.300000120.4
825I35.9Very low36.9Very low177 Ų177146.1 Ų146.191%0.90880%0.799SS**  -127.2128.6116.1-65.9-170.6000108.4
826G33.5Very low36.8Very low67 Ų67144.3 Ų144.369%0.69179%0.794SS**  trans-79.7158.1-170.300000115.7
827L30.9Very low36.4Very low169 Ų169144.1 Ų144.189%0.88579%0.793SS**  trans-68.4131.4168.5-74.7161.5000111.1
828I36.8Very low35.1Very low117 Ų117148 Ų14860%0.681%0.805SS**  trans-114.799.3154-59.8178.6000106.3F151F151-I828 HydrophobicContact CD1-CG2 4.4Å
829Q32.3Very low34.5Very low181 Ų181146.6 Ų146.685%0.84680%0.803SS**  trans-89.3122.9176.7-174.9178.315.300108.5
830N33.8Very low34Very low122 Ų122147.1 Ų147.165%0.65280%0.796SS**  trans-129.3124.8175.4-137.1-14.5000110.8
831N33Very low34.1Very low139 Ų139153.4 Ų153.474%0.74381%0.81SS**  trans-32129.6-171.4-57.5-70.7000118.1
832F33.2Very low34.2Very low217 Ų217148.5 Ų148.595%0.95280%0.797SS**  trans-144.1138.2132.2-113.3-80.6000110.1
833M32.2Very low34.3Very low171 Ų171148.1 Ų148.184%0.84280%0.795SS**  trans-84.4144.5-174.2-64.2173.6177.800112.2
834N35.5Very low34.1Very low152 Ų152143.5 Ų143.581%0.81378%0.78SS**  -168.8156.9119.6-101.7-53.5000113
835N34.8Very low34.1Very low144 Ų144147.6 Ų147.677%0.7779%0.786SS**  trans-50.7155.4-176.6-57-80.5000114
836V37.6Very low34.1Very low125 Ų125145.7 Ų145.776%0.75878%0.782SS**  -160.1146.256.3164.10000112.6
837N35.1Very low34.1Very low138 Ų138152.1 Ų152.174%0.73879%0.791SS**  trans15.4120.9158.3-60-12.7000120.7
838M31.6Very low34.3Very low181 Ų181149.7 Ų149.789%0.89279%0.785SS**  84.6136.881.3-148.4168.2-163.300112.4
839A34.8Very low34Very low93 Ų93148.8 Ų148.877%0.76980%0.795SS**  cis-139.4176.62800000115.2
840M29.2Very low34.2Very low148 Ų148146.7 Ų146.773%0.72980%0.795SS**  trans-110.3158.4-179-61.4178.4-73.700112.7M842M840-M842 HydrophobicContact CE-CE 4.45Å; M840-M842 HydrophobicContact SD-CE 3.69Å
841M36.3Very low34.2Very low198 Ų198145.9 Ų145.998%0.97580%0.796SS**  trans-139.7145140-104.9-174.7174.300109.8
842M34.7Very low34.3Very low134 Ų134146.5 Ų146.566%0.6680%0.798SS**  trans-119.8161.3-173.3-63.4-174.4-179.300111.8M840 T844M840-M842 HydrophobicContact CE-CE 4.45Å; M840-M842 HydrophobicContact SD-CE 3.69Å; M842-T844 HydrophobicContact CB-CG2 4.48Å
843N35.5Very low34.4Very low155 Ų155141.7 Ų141.783%0.82979%0.788SS**  trans174.2120.4135.7-83.6-24.3000107.4
844T34.3Very low34.3Very low96 Ų96140.4 Ų140.459%0.58979%0.785SS**  cis116.3148.917.154.70000111.6M842M842-T844 HydrophobicContact CB-CG2 4.48Å
845M35.2Very low34.2Very low175 Ų175139.4 Ų139.486%0.86279%0.785SS**  trans79.2109.4-175.8-51.4-175.2-69.400114.4
846V35Very low34.1Very low138 Ų138138.8 Ų138.884%0.83679%0.786SS**  cis88.610915.5-169.40000117.1
847K33.8Very low33.7Very low201 Ų201138.9 Ų138.987%0.87479%0.791SS**  trans-153.3163.5145.3-106.7-149.4165.8-179.80110
848P36.3Very low33.9Very low118 Ų118138.4 Ų138.477%0.76679%0.793SS**  trans-119.8172.8-140.228.4-8.1000116.4
849A30.1Very low34.6Very low98 Ų98135.2 Ų135.281%0.8179%0.786SS**  trans-95.7168-174.600000115.1
850V36.6Very low35.4Very low138 Ų138136.6 Ų136.684%0.83679%0.787SS**  trans-137.5145.5166.8-179.50000107.9
851P33.8Very low36.4Very low105 Ų105135.8 Ų135.868%0.68279%0.793SS**  trans-118.5-158.1-160.434.5-15.5000114.6
852I35.9Very low36.7Very low151 Ų151131.1 Ų131.177%0.77479%0.786SS**  trans91.5137.1165.8-49.2149.7000114.6
853P34.3Very low37Very low116 Ų116132.7 Ų132.775%0.75380%0.796SS**  cis-136.3-157.7-34.642.3-22.7000112.9
854N30.5Very low37.7Very low145 Ų145130.7 Ų130.778%0.77579%0.792SS**  trans-86.6166.3178.3-72.7-12.5000115.7
855T32.4Very low38Very low130 Ų130132.2 Ų132.280%0.79880%0.803SS**  trans101.9145.3148.272.40000121
856T32.7Very low38.2Very low132 Ų132135.6 Ų135.681%0.8181%0.806SS**  trans93.7133.2161.4-43.30000116.9
857C29.5Very low38.4Very low126 Ų126139.7 Ų139.785%0.85181%0.807SS**  trans-78.4145.3-171.1-520000113.2
858T40.6Very low38.5Very low129 Ų129137.8 Ų137.879%0.79180%0.804SS**  trans-131.1133.8168.152.60000110.4
859P44.4Very low38.9Very low113 Ų113138.2 Ų138.273%0.73480%0.799SS**PPolyproline II helixtrans-69.8162.8174.331-35.4000112
860P52.7Low39.5Very low122 Ų122141 Ų14179%0.79280%0.8SS**PPolyproline II helixtrans-67.2156.1-17727.1-35.3000113.6
861P51Low39.6Very low132 Ų132137.5 Ų137.586%0.85779%0.792SS**PPolyproline II helixtrans-77.6146.2-170-13.330.3000114
862A41.1Very low39.8Very low100 Ų100140 Ų14083%0.82681%0.805SS**PPolyproline II helixtrans-79.9147.9172.100000112.6
863L42.1Very low39.8Very low167 Ų167135.8 Ų135.887%0.87480%0.799SS**PPolyproline II helixtrans-77.5149.2176.4-73.2166.4000112.3
864P50.3Low40.1Very low113 Ų113138.1 Ų138.173%0.73481%0.805SS**PPolyproline II helixtrans-77.6151.1-175.531.3-35.9000113.7
865P40.7Very low40.6Very low127 Ų127138.1 Ų138.183%0.82580%0.8SS**PPolyproline II helixtrans-78.2145.6-176.531.7-35.9000113.5
866R38.7Very low40.9Very low246 Ų246139 Ų13993%0.92880%0.8SS**PPolyproline II helixtrans-75.9135.9169.8-75.4-170.8173.8-156.90.2111.3
867R38.7Very low41.3Very low225 Ų225140.9 Ų140.985%0.84980%0.803SS**PPolyproline II helixtrans-77.1147.6163.2-91.7-175.2170-166.8-2110.8
868I37.3Very low41.6Very low161 Ų161144.1 Ų144.183%0.82681%0.806SS**  trans-129.3136.8163.8-58.4168.7000107
869I43.9Very low41.2Very low126 Ų126145.3 Ų145.365%0.64681%0.807SS**  trans-141.1120.8168.3-61.2-177.9000108.2
870N42.4Very low40.9Very low156 Ų156145.6 Ų145.683%0.83481%0.809SS**  trans21.5136.1152.4-44.4-7.8000119.2
871G38.1Very low39.8Very low65 Ų65148.5 Ų148.567%0.6781%0.812SS**  cis162.21783.800000110.9
872V39.1Very low38.9Very low157 Ų157146.9 Ų146.995%0.95280%0.804SS**  trans70.5132.7-167.4-167.90000112.5
873G35.1Very low38.3Very low64 Ų64151.2 Ų151.266%0.6681%0.809SS**  cis146.187.3-5.100000112.2
874L40.1Very low38Very low165 Ų165148.8 Ų148.886%0.86480%0.801SS**  trans-158.1151.4166.7-120.2140.7000108.6
875E41.9Very low37.4Very low144 Ų144147.6 Ų147.667%0.67380%0.796SS**  trans-94161.9-156.943.6-91.284.100117
876D37.6Very low37.2Very low149 Ų149148.2 Ų148.280%0.79780%0.802SS**  trans51.796.3156.9-56.8-13.5000120.2
877I41.2Very low37.5Very low172 Ų172140.5 Ų140.588%0.88278%0.778SS**  trans-148133130.2-95.5142.9000107.7
878E35.9Very low38.1Very low193 Ų193132.8 Ų132.890%0.90276%0.759SS**  trans-88.5120.7-177.6-60.9172.3108.200111.4
879D32.9Very low39.1Very low155 Ų155131.2 Ų131.283%0.82975%0.751SS**  trans-155.1119.6150.7-141.7-12.4000109.6
880P37.3Very low39.6Very low119 Ų119125.8 Ų125.877%0.77373%0.725SS**  trans-84.9160.9-164.631.8-35.6000115.5
881Q29.6Very low40.4Very low182 Ų182124.2 Ų124.285%0.8571%0.713SS**  trans-79.7-172.8176.6-57.8-179.9-10.200113.1
882S33.2Very low41.2Very low98 Ų98130 Ų13069%0.68572%0.715SS**  trans81.8123.2170.3770000114.7
883M28.6Very low42.5Very low192 Ų192130.3 Ų130.395%0.94670%0.7SS**  52.672.458.2-66.7-165171.100112.8
884T36.5Very low43.3Very low115 Ų115130.6 Ų130.671%0.70670%0.702SS**  trans-127.7140.3142.6-26.20000108.4
885S37.4Very low44.1Very low89 Ų89128 Ų12862%0.62269%0.689SS**  trans-60.1153.5167.339.10000110.5I887S885-I887 PolarHBondContact O-N 3.39Å
886C35.3Very low44.8Very low139 Ų139126 Ų12694%0.93969%0.688SS**  trans-71.468.7170.5-60.40000110.5S888C886-S888 PolarHBondContact O-N 3.29Å
887I46.5Very low45.6Very low84 Ų84124.1 Ų124.143%0.43168%0.682SS.*  trans-56.3128172.2-79173.9000108.4S885 E891 R892S885-I887 PolarHBondContact O-N 3.39Å; I887-E891 WeakPolarHBondContact CA-OE2 3.38Å; I887-E891 HydrophobicContact CG2-CB 3.67Å; I887-R892 HydrophobicContact CG2-CB 4.33Å
888S50.8Low46.3Very low64 Ų64120.1 Ų120.145%0.44867%0.674SS.*  trans-63.6151.7179.7178.60000110.5C886 A890 E891 R892C886-S888 PolarHBondContact O-N 3.29Å; S888-A890 PolarHBondContact O-N 3.2Å; S888-A890 VanDerWaalsContact O-N 3.15Å; S888-A890 PolarHBondContact OG-N 3.42Å; S888-E891 PolarHBondContact N-OE2 3.27Å; S888-E891 PolarHBondContact O-N 3.48Å; S888-E891 VanDerWaalsContact O-N 3.09Å; S888-R892 PolarHBondContact O-N 3.41Å
889L56.9Low46.6Very low127 Ų127119.9 Ų119.967%0.66567%0.673SS**Hα-helixtrans-56.7-32.3174.6-148.980.5000111.2R892 Y893L889-R892 PolarHBondContact O-N 2.94Å; L889-Y893 HydrophobicContact CD1-CE2 4.48Å; L889-Y893 HydrophobicContact CG-CD2 4.23Å; L889-Y893 HydrophobicContact CG-CE2 4.13Å; L889-Y893 VanDerWaalsContact O-CD2 3.31Å; L889-Y893 WeakPolarHBondContact O-CD2 3.07Å; L889-Y893 PolarHBondContact O-N 2.66Å
890A55.4Low47.2Very low12 Ų12122 Ų12210%0.09968%0.682CS.*Hα-helixtrans-64.4-45.7175.500000112.9S888 R892 Y893 G894 L895 V897 I900S888-A890 PolarHBondContact O-N 3.2Å; S888-A890 VanDerWaalsContact O-N 3.15Å; S888-A890 PolarHBondContact OG-N 3.42Å; A890-R892 VanDerWaalsContact C-N 3.28Å; A890-R892 PolarHBondContact O-N 3.42Å; A890-Y893 CarbonylContact O-C 3.58Å; A890-Y893 PolarHBondContact O-N 3.34Å; A890-G894 PolarHBondContact O-N 2.89Å; A890-L895 PolarHBondContact O-N 2.86Å; A890-V897 HydrophobicContact CB-CG2 4.21Å; A890-I900 HydrophobicContact CB-CD1 4.43Å
891E59.9Low47.7Very low124 Ų124122.1 Ų122.158%0.57968%0.678SS**Hα-helixtrans-62.6-36.2173.8-74.9179.7115.400111.5I887 S888 Y893 G894I887-E891 WeakPolarHBondContact CA-OE2 3.38Å; I887-E891 HydrophobicContact CG2-CB 3.67Å; S888-E891 PolarHBondContact N-OE2 3.27Å; S888-E891 PolarHBondContact O-N 3.48Å; S888-E891 VanDerWaalsContact O-N 3.09Å; E891-Y893 PolarHBondContact O-N 2.98Å; E891-G894 PolarHBondContact O-N 2.78Å
892R53.2Low48.6Very low187 Ų187118.9 Ų118.971%0.70667%0.669SS**Hα-helixtrans-67.4-20.2179.3-150.6-178.6-160.6-147.56113.8I887 S888 L889 A890I887-R892 HydrophobicContact CG2-CB 4.33Å; S888-R892 PolarHBondContact O-N 3.41Å; L889-R892 PolarHBondContact O-N 2.94Å; A890-R892 VanDerWaalsContact C-N 3.28Å; A890-R892 PolarHBondContact O-N 3.42Å
893Y66.7Low49.5Very low163 Ų163120.1 Ų120.164%0.63967%0.668SS**Hα-helixtrans-1165.7178.7-71.4-69.6000114.2L889 A890 E891 L895L889-Y893 HydrophobicContact CD1-CE2 4.48Å; L889-Y893 HydrophobicContact CG-CD2 4.23Å; L889-Y893 HydrophobicContact CG-CE2 4.13Å; L889-Y893 VanDerWaalsContact O-CD2 3.31Å; L889-Y893 WeakPolarHBondContact O-CD2 3.07Å; L889-Y893 PolarHBondContact O-N 2.66Å; A890-Y893 CarbonylContact O-C 3.58Å; A890-Y893 PolarHBondContact O-N 3.34Å; E891-Y893 PolarHBondContact O-N 2.98Å; Y893-L895 VanDerWaalsContact C-N 3.28Å; Y893-L895 PolarHBondContact O-N 2.75Å
894G51.9Low50.7Low69 Ų69115.9 Ų115.971%0.71165%0.651SS**THydrogen-bonded Turntrans67.423.4174.300000114.9A890 E891A890-G894 PolarHBondContact O-N 2.89Å; E891-G894 PolarHBondContact O-N 2.78Å
895L56.8Low51.6Low112 Ų112115.9 Ų115.959%0.58665%0.648SS**  trans-82.2137.7-179.9-75.9155.5000110.7A890 Y893 V897A890-L895 PolarHBondContact O-N 2.86Å; Y893-L895 VanDerWaalsContact C-N 3.28Å; Y893-L895 PolarHBondContact O-N 2.75Å; L895-V897 PolarHBondContact O-N 3.1Å
896P58Low52.6Low100 Ų100117.7 Ų117.765%0.64965%0.65SS**  trans-67124.1178.927.5-33.4000110.7A898P896-A898 PolarHBondContact O-N 3.38Å
897V52.8Low53.8Low111 Ų111116.2 Ų116.267%0.67363%0.629SS**THydrogen-bonded Turntrans-8157.5-177.6-1660000110.5A890 L895 I900A890-V897 HydrophobicContact CB-CG2 4.21Å; L895-V897 PolarHBondContact O-N 3.1Å; V897-I900 HydrophobicContact CG1-CD1 4.47Å
898A57Low54.4Low87 Ų87118.7 Ų118.772%0.71964%0.644SS**THydrogen-bonded Turntrans-128.9-6.6-173.200000114.2P896P896-A898 PolarHBondContact O-N 3.38Å
899E42.5Very low54.7Low188 Ų188123.3 Ų123.388%0.87966%0.661SS**  trans-138.645.8-177.2-62.3-175.5130.100111.2
900I44.9Very low54.5Low199 Ų199122.9 Ų122.9100%1.02166%0.66SS**  trans-1200171.5-56.1176.2000108.2A890 V897A890-I900 HydrophobicContact CB-CD1 4.43Å; V897-I900 HydrophobicContact CG1-CD1 4.47Å

Retrieved 900 of 900 residues in 1127.5 ms (Link to these results)

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