A0A087XQR2_POEFO Loading...

Zinc finger and BTB domain containing 4

AlphaFold DB , UniProt , Accession A0A087XQR2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 775 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
1R59.9Low76.5Confident291 Ų291106.9 Ų106.9100%1.09853%0.533SS*.  0117.30-68.1-178.9-179.7158.22109.2
2A65.8Low77.1Confident65 Ų65100.8 Ų100.854%0.53750%0.501SS..  trans-84.3144.3177.900000110.7V11A2-V11 HydrophobicContact CB-CG1 3.37Å
3L78.3Confident77.4Confident66 Ų66103.9 Ų103.935%0.34652%0.518SS..EExtended strand (participates in β ladder)trans-104.9113.2-168.2-54.6173.8000111F12 L18L3-F12 PolarHBondContact N-O 3.4Å; L3-F12 PolarHBondContact O-N 2.83Å; L3-L18 HydrophobicContact CB-CD2 4.03Å
4S83.1Confident77.7Confident70 Ų70104.9 Ų104.949%0.4952%0.52SS..EExtended strand (participates in β ladder)trans-86.6141.8179.753.60000112.9R6 K10S4-R6 PolarHBondContact O-N 3.47Å; S4-K10 CarbonylContact C-O 3.46Å; S4-K10 WeakPolarHBondContact CA-O 3.01Å
5C84.9Confident77.7Confident1 Ų1102 Ų1021%0.00751%0.514CS..  trans-76.5115.8173.6-178.70000110.8Y7 C8 G9 K10 F12 L18 H21C5-Y7 PolarHBondContact O-N 3.49Å; C5-C8 PolarHBondContact O-N 3.35Å; C5-C8 VanDerWaalsContact O-N 3.13Å; C5-G9 PolarHBondContact O-N 3.04Å; C5-K10 PolarHBondContact N-O 2.91Å; C5-F12 HydrophobicContact CB-CE2 4.14Å; C5-L18 HydrophobicContact CB-CD1 3.92Å; C5-H21 VanDerWaalsContact SG-CD2 3.56Å
6R74.8Confident77.9Confident231 Ų231106.5 Ų106.587%0.87253%0.529SS*.THydrogen-bonded Turntrans-57.2-18180-72.6-176.1168-173.3-5.2114.8S4S4-R6 PolarHBondContact O-N 3.47Å
7Y75.9Confident77.9Confident125 Ų125109.8 Ų109.849%0.4953%0.534SS..THydrogen-bonded Turntrans-95.8-15.4-178.6-59.8-72.9000114.8C5 E22 C25 R26C5-Y7 PolarHBondContact O-N 3.49Å; Y7-E22 HydrophobicContact CD2-CG 4.44Å; Y7-C25 VanDerWaalsContact CB-SG 3.55Å; Y7-R26 HydrophobicContact CE2-CG 4.03Å
8C79.8Confident78.1Confident53 Ų53104.8 Ų104.836%0.35851%0.51SS..THydrogen-bonded Turntrans-154.714-179.9730000116.2C5 K10 H21C5-C8 PolarHBondContact O-N 3.35Å; C5-C8 VanDerWaalsContact O-N 3.13Å; C8-K10 PolarHBondContact O-N 3.06Å; C8-H21 PolarHBondContact SG-NE2 3.25Å
9G77Confident78Confident52 Ų52105.9 Ų105.954%0.53651%0.514SS..  trans72.5-17.6176.700000116.1C5 V11C5-G9 PolarHBondContact O-N 3.04Å; G9-V11 PolarHBondContact O-N 3Å
10K80.1Confident78.1Confident127 Ų127105.4 Ų105.455%0.55252%0.522SS*.  trans-56.1128-175.2-70.5177.4-173.9170.20112.2S4 C5 C8 F12S4-K10 CarbonylContact C-O 3.46Å; S4-K10 WeakPolarHBondContact CA-O 3.01Å; C5-K10 PolarHBondContact N-O 2.91Å; C8-K10 PolarHBondContact O-N 3.06Å; K10-F12 HydrophobicContact CB-CE2 3.68Å; K10-F12 HydrophobicContact CB-CZ 4.07Å; K10-F12 WeakPolarHBondContact O-CD2 3.3Å; K10-F12 VanDerWaalsContact O-CE2 3.24Å; K10-F12 WeakPolarHBondContact O-CE2 3.4Å
11V81.9Confident78.3Confident95 Ų95102 Ų10258%0.57650%0.504SS*.EExtended strand (participates in β ladder)trans-90.7135.4-175.4-178.70000110.7A2 G9A2-V11 HydrophobicContact CB-CG1 3.37Å; G9-V11 PolarHBondContact O-N 3Å
12F83.5Confident79.3Confident34 Ų3490.2 Ų90.215%0.14946%0.462CS..EExtended strand (participates in β ladder)trans-130.1132.9-178.9-64.1-88000111.3L3 C5 K10 H14 R17 L18 H21L3-F12 PolarHBondContact N-O 3.4Å; L3-F12 PolarHBondContact O-N 2.83Å; C5-F12 HydrophobicContact CB-CE2 4.14Å; K10-F12 HydrophobicContact CB-CE2 3.68Å; K10-F12 HydrophobicContact CB-CZ 4.07Å; K10-F12 WeakPolarHBondContact O-CD2 3.3Å; K10-F12 VanDerWaalsContact O-CE2 3.24Å; K10-F12 WeakPolarHBondContact O-CE2 3.4Å; F12-H14 PolarHBondContact O-N 3.32Å; F12-R17 HydrophobicContact CD1-CB 4.24Å; F12-R17 HydrophobicContact CD1-CG 3.77Å; F12-R17 HydrophobicContact CE1-CG 4.15Å; F12-L18 HydrophobicContact CB-CB 4.25Å; F12-L18 HydrophobicContact CD2-CB 4.46Å; F12-L18 HydrophobicContact CD2-CD1 3.72Å; F12-L18 HydrophobicContact CE2-CD1 4.38Å; F12-L18 HydrophobicContact CG-CB 4.46Å; F12-L18 HydrophobicContact CG-CD1 4.48Å; F12-H21 HydrophobicContact CE1-CB 4.24Å; F12-H21 HydrophobicContact CE2-CB 4.21Å; F12-H21 AromaticContact CE2-CD2 3.26Å; F12-H21 WeakPolarHBondContact CE2-CD2 3.24Å; F12-H21 AromaticContact CE2-CG 3.86Å; F12-H21 HydrophobicContact CZ-CB 3.76Å; F12-H21 AromaticContact CZ-CD2 3.32Å; F12-H21 WeakPolarHBondContact CZ-CD2 3.4Å; F12-H21 AromaticContact CZ-CG 3.47Å; F12-H21 VanDerWaalsContact CZ-CG 3.47Å
13I81.6Confident79.6Confident141 Ų14190.1 Ų90.172%0.72347%0.467SS*.SBendtrans-72.2-19.1179.3-54.4172.4000111.8
14H81.1Confident79.2Confident118 Ų11890.6 Ų90.655%0.54648%0.476SS..SBendtrans-135.5133.1-176-58.8-35.4000113.5F12 K16 R17 L18F12-H14 PolarHBondContact O-N 3.32Å; H14-K16 VanDerWaalsContact C-N 3.34Å; H14-K16 PolarHBondContact O-N 3.49Å; H14-R17 PolarHBondContact O-N 3.16Å; H14-L18 PolarHBondContact O-N 3.32Å
15S77.6Confident78.7Confident61 Ų6188.6 Ų88.643%0.42746%0.461SS..Hα-helixtrans-56.9-38.3-179.955.40000114.1R17 L18 Q19S15-R17 VanDerWaalsContact C-N 3.28Å; S15-R17 PolarHBondContact O-N 2.87Å; S15-L18 WeakPolarHBondContact O-CB 3.24Å; S15-L18 PolarHBondContact O-N 3.11Å; S15-Q19 WeakPolarHBondContact O-CG 3.41Å; S15-Q19 PolarHBondContact O-N 2.87Å
16K80.6Confident77.7Confident174 Ų17497.1 Ų97.176%0.75749%0.494SS*.Hα-helixtrans-62.6-33.8175.5-68.1176.7-179.1169.60112.8H14 S20H14-K16 VanDerWaalsContact C-N 3.34Å; H14-K16 PolarHBondContact O-N 3.49Å; K16-S20 WeakPolarHBondContact O-CB 3.46Å; K16-S20 PolarHBondContact O-N 3.37Å
17R78.1Confident76.4Confident163 Ų16391.9 Ų91.962%0.61549%0.487SS*.Hα-helixtrans-78-36.7177.4-165.2179.5-73.7173.40.1110.8F12 H14 S15 H21F12-R17 HydrophobicContact CD1-CB 4.24Å; F12-R17 HydrophobicContact CD1-CG 3.77Å; F12-R17 HydrophobicContact CE1-CG 4.15Å; H14-R17 PolarHBondContact O-N 3.16Å; S15-R17 VanDerWaalsContact C-N 3.28Å; S15-R17 PolarHBondContact O-N 2.87Å; R17-H21 WeakPolarHBondContact O-CB 3.32Å; R17-H21 PolarHBondContact O-N 3.44Å; R17-H21 VanDerWaalsContact O-N 3.13Å
18L82.3Confident75.1Confident20 Ų2091.9 Ų91.911%0.10550%0.502CS..Hα-helixtrans-57.9-56169.4-18076.4000111.4L3 C5 F12 H14 S15 S20 H21 E22L3-L18 HydrophobicContact CB-CD2 4.03Å; C5-L18 HydrophobicContact CB-CD1 3.92Å; F12-L18 HydrophobicContact CB-CB 4.25Å; F12-L18 HydrophobicContact CD2-CB 4.46Å; F12-L18 HydrophobicContact CD2-CD1 3.72Å; F12-L18 HydrophobicContact CE2-CD1 4.38Å; F12-L18 HydrophobicContact CG-CB 4.46Å; F12-L18 HydrophobicContact CG-CD1 4.48Å; H14-L18 PolarHBondContact O-N 3.32Å; S15-L18 WeakPolarHBondContact O-CB 3.24Å; S15-L18 PolarHBondContact O-N 3.11Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-S20 PolarHBondContact O-N 3.19Å; L18-H21 CarbonylContact O-C 3.5Å; L18-H21 WeakPolarHBondContact O-CA 3.37Å; L18-H21 WeakPolarHBondContact O-CB 3.4Å; L18-H21 PolarHBondContact O-N 2.75Å; L18-E22 HydrophobicContact CD1-CG 4.25Å; L18-E22 HydrophobicContact CG-CG 4.17Å; L18-E22 WeakPolarHBondContact O-CG 3.04Å; L18-E22 PolarHBondContact O-N 2.79Å
19Q76.7Confident73.3Confident125 Ų12592.7 Ų92.758%0.58452%0.519SS*.Hα-helixtrans-59.1-42.4-177.3-73.4171.3-17.400112.4S15 H21 E22 G23S15-Q19 WeakPolarHBondContact O-CG 3.41Å; S15-Q19 PolarHBondContact O-N 2.87Å; Q19-H21 PolarHBondContact O-N 3.49Å; Q19-E22 PolarHBondContact O-N 3.03Å; Q19-G23 PolarHBondContact O-N 2.83Å
20S79.6Confident71.4Confident95 Ų9598.6 Ų98.666%0.66454%0.537SS*.Hα-helixtrans-63.8-27.7174.1-176.10000112.9K16 L18K16-S20 WeakPolarHBondContact O-CB 3.46Å; K16-S20 PolarHBondContact O-N 3.37Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-S20 PolarHBondContact O-N 3.19Å
21H81.3Confident69Low34 Ų34104.2 Ų104.216%0.15756%0.555CS.*Hα-helixtrans-84.5-42176.6172.755.3000112.2C5 C8 F12 R17 L18 Q19 G23 S24 C25C5-H21 VanDerWaalsContact SG-CD2 3.56Å; C8-H21 PolarHBondContact SG-NE2 3.25Å; F12-H21 HydrophobicContact CE1-CB 4.24Å; F12-H21 HydrophobicContact CE2-CB 4.21Å; F12-H21 AromaticContact CE2-CD2 3.26Å; F12-H21 WeakPolarHBondContact CE2-CD2 3.24Å; F12-H21 AromaticContact CE2-CG 3.86Å; F12-H21 HydrophobicContact CZ-CB 3.76Å; F12-H21 AromaticContact CZ-CD2 3.32Å; F12-H21 WeakPolarHBondContact CZ-CD2 3.4Å; F12-H21 AromaticContact CZ-CG 3.47Å; F12-H21 VanDerWaalsContact CZ-CG 3.47Å; R17-H21 WeakPolarHBondContact O-CB 3.32Å; R17-H21 PolarHBondContact O-N 3.44Å; R17-H21 VanDerWaalsContact O-N 3.13Å; L18-H21 CarbonylContact O-C 3.5Å; L18-H21 WeakPolarHBondContact O-CA 3.37Å; L18-H21 WeakPolarHBondContact O-CB 3.4Å; L18-H21 PolarHBondContact O-N 2.75Å; Q19-H21 PolarHBondContact O-N 3.49Å; H21-G23 VanDerWaalsContact C-N 3.29Å; H21-G23 PolarHBondContact O-N 3Å; H21-S24 PolarHBondContact ND1-OG 3.3Å; H21-S24 CarbonylContact O-C 3.47Å; H21-S24 WeakPolarHBondContact O-CA 3.41Å; H21-S24 WeakPolarHBondContact O-CB 3.1Å; H21-S24 PolarHBondContact O-N 2.87Å; H21-S24 PolarHBondContact O-OG 3.47Å; H21-C25 WeakPolarHBondContact O-CB 3.39Å; H21-C25 PolarHBondContact O-N 2.88Å
22E80.8Confident66.7Low45 Ų45104.9 Ų104.921%0.2156%0.562CS.*Hα-helixtrans-58.4-40.5174.5-71.7176.8144.400111.7Y7 L18 Q19 S24 C25 R26Y7-E22 HydrophobicContact CD2-CG 4.44Å; L18-E22 HydrophobicContact CD1-CG 4.25Å; L18-E22 HydrophobicContact CG-CG 4.17Å; L18-E22 WeakPolarHBondContact O-CG 3.04Å; L18-E22 PolarHBondContact O-N 2.79Å; Q19-E22 PolarHBondContact O-N 3.03Å; E22-S24 PolarHBondContact O-N 3.22Å; E22-C25 PolarHBondContact O-N 3.4Å; E22-R26 PolarHBondContact O-N 3.3Å; E22-R26 VanDerWaalsContact O-N 3.12Å
23G73.8Confident64.4Low62 Ų62109.3 Ų109.364%0.63959%0.594SS**Hα-helixtrans-59.6-25.217100000114.3Q19 H21Q19-G23 PolarHBondContact O-N 2.83Å; H21-G23 VanDerWaalsContact C-N 3.29Å; H21-G23 PolarHBondContact O-N 3Å
24S68.4Low62Low76 Ų76107.5 Ų107.553%0.53159%0.594SS.*Hα-helixtrans-91.1-24.2172.174.10000113.8H21 E22H21-S24 PolarHBondContact ND1-OG 3.3Å; H21-S24 CarbonylContact O-C 3.47Å; H21-S24 WeakPolarHBondContact O-CA 3.41Å; H21-S24 WeakPolarHBondContact O-CB 3.1Å; H21-S24 PolarHBondContact O-N 2.87Å; H21-S24 PolarHBondContact O-OG 3.47Å; E22-S24 PolarHBondContact O-N 3.22Å
25C72Confident59.5Low28 Ų28110 Ų11019%0.18961%0.61CS.*Hα-helixtrans-90.6-7.3-174.2-153.20000113.4Y7 H21 E22 V27Y7-C25 VanDerWaalsContact CB-SG 3.55Å; H21-C25 WeakPolarHBondContact O-CB 3.39Å; H21-C25 PolarHBondContact O-N 2.88Å; E22-C25 PolarHBondContact O-N 3.4Å; C25-V27 PolarHBondContact O-N 3.29Å; C25-V27 VanDerWaalsContact O-N 3.17Å
26R65.4Low57.1Low181 Ų181113.2 Ų113.268%0.68363%0.627SS**THydrogen-bonded Turntrans-68.52.2173.9-87.6-176.5170.3-169.9-1.7115.4Y7 E22 P28Y7-R26 HydrophobicContact CE2-CG 4.03Å; E22-R26 PolarHBondContact O-N 3.3Å; E22-R26 VanDerWaalsContact O-N 3.12Å; R26-P28 WeakPolarHBondContact O-CD 3.35Å
27V47.9Very low54.7Low121 Ų121111.8 Ų111.873%0.73363%0.633SS**SBendtrans-99.7104.8173.9-176.30000108.6C25C25-V27 PolarHBondContact O-N 3.29Å; C25-V27 VanDerWaalsContact O-N 3.17Å
28P48.7Very low52.2Low125 Ų125112.3 Ų112.381%0.81264%0.642SS**  trans-76.5136.5-17530.7-34.6000111.8R26R26-P28 WeakPolarHBondContact O-CD 3.35Å
29G41.9Very low49.8Very low69 Ų69116.7 Ų116.771%0.71167%0.672SS**  trans179.5111.6174.400000112.2
30L35.1Very low47.3Very low176 Ų176120.7 Ų120.792%0.92169%0.687SS**  trans70.6107.9178.4-49.7177.8000116.1
31R31.1Very low45Very low245 Ų245124.3 Ų124.393%0.92569%0.694SS**PPolyproline II helixtrans-72.9139.2157.8-78.3-176.7176.8171.5-2.1109.9
32P33.8Very low42.3Very low110 Ų110130.8 Ų130.871%0.71472%0.724SS**PPolyproline II helixtrans-74.4161.3145.5-4.423.5000110.3
33P35.7Very low40.4Very low127 Ų127133.2 Ų133.283%0.82574%0.744SS**PPolyproline II helixtrans-67.1156.7177.429.3-35.2000112.4
34S30Very low38.4Very low103 Ų103137.2 Ų137.272%0.7275%0.75SS**PPolyproline II helixtrans-76.1140.9172.3-166.90000110.6
35L28.6Very low36.4Very low171 Ų171142.6 Ų142.690%0.89577%0.766SS**  trans-124.8126.9155.9-76.8177.2000108
36T28.4Very low34.5Very low128 Ų128149 Ų14979%0.78580%0.799SS**  trans-90.6127.3-174.946.40000111
37V29.3Very low32.8Very low143 Ų143144.1 Ų144.187%0.86781%0.805SS**  trans-133.7127.6159.9-176.50000107.1
38Q26Very low32.1Very low174 Ų174148 Ų14881%0.81382%0.815SS**  trans-76.1149.6178-68.8-8033.700110.6
39P32.3Very low31.1Very low112 Ų112147 Ų14773%0.72782%0.817SS**  trans-75.9157.716534.1-33.9000111.1
40K23.9Very low30.6Very low210 Ų210147 Ų14791%0.91382%0.816SS**  trans-138.9142.4160.9-161.6177.5-178.4-173.10107.5
41E30.5Very low30.4Very low171 Ų171147.1 Ų147.180%0.79982%0.818SS**  trans-102.5141-161.9-68.1-174.8147.300113.5
42E24.4Very low30.7Very low169 Ų169139.7 Ų139.779%0.7981%0.809SS**  trans58.8165.7144.1-62-62.2145.500120
43P42.1Very low30.6Very low97 Ų97139.5 Ų139.563%0.6382%0.817SS**  cis-126.3177.8-12.433.8-14.9000115.3
44L31.3Very low30.4Very low145 Ų145138.1 Ų138.176%0.75982%0.816SS**  trans44.9122.2145.3-73161.4000121.5
45E26.5Very low30.7Very low189 Ų189137.6 Ų137.688%0.88381%0.809SS**  -168.6172.392.4-99.9-172.1-174.100111.3
46D32.1Very low30.9Very low163 Ų163138.2 Ų138.287%0.87281%0.807SS**  trans-89.3156.1-169.2-68.7-71.6000114.8
47G29.4Very low31.4Very low78 Ų78140.2 Ų140.280%0.80481%0.812SS**  trans178.6124.3172.200000114.7
48E33.3Very low32Very low204 Ų204138.3 Ų138.395%0.95380%0.796SS**  trans-87.7115.7177.5-61.6-175.5114.400112.2
49A28.5Very low32.5Very low104 Ų104135.2 Ų135.286%0.8680%0.801SS**  trans-166.1137.215800000114.6
50G30.4Very low32.6Very low67 Ų67133.1 Ų133.169%0.69180%0.8SS**  trans71.1100.4138.200000120.4A52G50-A52 PolarHBondContact O-N 3.09Å
51D31.3Very low33.8Very low180 Ų180127.8 Ų127.896%0.96378%0.781SS**  trans-70.167.2159.1-109.6-40.6000111.3
52A36.9Very low35.2Very low89 Ų89127.3 Ų127.374%0.73678%0.779SS**  trans-110.437.3-167.400000114.4G50G50-A52 PolarHBondContact O-N 3.09Å
53A31.6Very low36.6Very low105 Ų105123.3 Ų123.387%0.86876%0.763SS**SBendtrans-129.128.6-17300000115.3
54A32.3Very low37.6Very low98 Ų98122.7 Ų122.781%0.8175%0.751SS**SBendtrans-141.11.3179.900000116.2
55T34.7Very low39.3Very low93 Ų93122.4 Ų122.457%0.57174%0.744SS**  trans-1100.5-159.4-29.60000114.9L57 L58T55-L57 VanDerWaalsContact C-N 3.32Å; T55-L57 PolarHBondContact O-N 3.2Å; T55-L58 HydrophobicContact CG2-CD1 4.33Å
56E33.6Very low41.4Very low183 Ų183117.2 Ų117.286%0.85573%0.725SS**THydrogen-bonded Turntrans-86.929.4-174.1-94.4-69.7102.700115.1
57L38.3Very low43.3Very low171 Ų171116 Ų11690%0.89571%0.712SS**THydrogen-bonded Turntrans-143.525.9174.8-78.9-176.9000114.1T55T55-L57 VanDerWaalsContact C-N 3.32Å; T55-L57 PolarHBondContact O-N 3.2Å
58L42Very low45.3Very low102 Ų102116.6 Ų116.653%0.53470%0.7SS.*  trans-98.621.3176.4-66.1-179.6000114.5T55 G60T55-L58 HydrophobicContact CG2-CD1 4.33Å; L58-G60 PolarHBondContact O-N 3.26Å
59A36.9Very low46.6Very low110 Ų110109.7 Ų109.791%0.90967%0.672SS**THydrogen-bonded Turntrans-71.969.8164.400000111.1
60G34.8Very low47.8Very low68 Ų68112 Ų11270%0.70167%0.67SS**THydrogen-bonded Turntrans155.726.1-177.400000117.4L58L58-G60 PolarHBondContact O-N 3.26Å
61D48.9Very low49.5Very low97 Ų97112 Ų11252%0.51967%0.67SS.*  trans-60.4148.1137.8-63.8-55.3000107.2
62E59.3Low51Low162 Ų162107.9 Ų107.976%0.75765%0.648SS**  cis-116.9-142.437.8-55.7164171.600112.7
63N54.4Low52.8Low84 Ų84106.6 Ų106.645%0.44963%0.631SS.*  trans81.836.6162.9-62.8-56.4000119S78 V79N63-S78 WeakPolarHBondContact CA-OG 3.04Å; N63-S78 WeakPolarHBondContact CB-OG 3.14Å; N63-S78 PolarHBondContact O-N 2.97Å; N63-S78 PolarHBondContact OD1-OG 3.11Å; N63-V79 HydrophobicContact CB-CG2 3.97Å
64H64.3Low55.2Low85 Ų85103.5 Ų103.539%0.39460%0.599SS.*EExtended strand (participates in β ladder)trans-138.3128.5164.870.9-78.3000114.1F76 L90H64-F76 CarbonylContact C-O 3.58Å; H64-F76 WeakPolarHBondContact CA-O 3.49Å; H64-L90 HydrophobicContact CB-CD2 3.57Å
65F66.6Low57.5Low138 Ų138100.9 Ų100.961%0.60557%0.569SS**EExtended strand (participates in β ladder)trans-103.4143.8172.5-58.3-65.6000110.3F76 S78F65-F76 HydrophobicContact CB-CB 4.27Å; F65-F76 PolarHBondContact N-O 3.03Å; F65-F76 PolarHBondContact O-N 2.66Å; F65-S78 VanDerWaalsContact CE2-CB 3.43Å
66V69.6Low59.6Low80 Ų8099 Ų9949%0.48555%0.553SS.*EExtended strand (participates in β ladder)trans-115.6117.1177.9-1730000108.5V73 Y75V66-V73 HydrophobicContact CG1-CG1 3.31Å; V66-Y75 HydrophobicContact CG1-CD1 4.34Å; V66-Y75 HydrophobicContact CG1-CE1 4.09Å; V66-Y75 HydrophobicContact CG2-CD1 3.85Å; V66-Y75 HydrophobicContact CG2-CE1 4Å
67K72.3Confident61.9Low137 Ų13790.4 Ų90.460%0.59651%0.513SS*.EExtended strand (participates in β ladder)trans-120.4123.2174-163.5172.2-175.5170.60109.4V69 I74 F76K67-V69 HydrophobicContact CG-CG2 4.31Å; K67-I74 PolarHBondContact N-O 3.22Å; K67-I74 WeakPolarHBondContact O-CB 3.38Å; K67-I74 PolarHBondContact O-N 3.04Å; K67-F76 HydrophobicContact CB-CD2 4.24Å; K67-F76 HydrophobicContact CB-CE2 3.68Å; K67-F76 HydrophobicContact CB-CZ 4.44Å
68V70.8Confident63.5Low91 Ų9183.6 Ų83.655%0.55248%0.479SS*.EExtended strand (participates in β ladder)trans-83128.3172.2-175.70000108N72 V73V68-N72 WeakPolarHBondContact CA-O 3.42Å; V68-V73 HydrophobicContact CG2-CG2 4.34Å
69V61.9Low65Low59 Ų5982.5 Ų82.536%0.35848%0.477SS..EExtended strand (participates in β ladder)trans-132.2125.8174.4-175.70000107.9K67 G71 N72 I74K67-V69 HydrophobicContact CG-CG2 4.31Å; V69-G71 PolarHBondContact O-N 2.79Å; V69-G71 VanDerWaalsContact O-N 3.15Å; V69-N72 PolarHBondContact N-O 2.92Å; V69-N72 WeakPolarHBondContact O-CB 3.43Å; V69-N72 PolarHBondContact O-N 2.72Å; V69-I74 HydrophobicContact CB-CD1 4.13Å; V69-I74 HydrophobicContact CG2-CD1 4.21Å
70D52.3Low66.9Low153 Ų15379.3 Ų79.382%0.81845%0.448SS*.THydrogen-bonded Turntrans49.140.9179.9-53.1-22.9000113.9N72D70-N72 VanDerWaalsContact C-N 3.25Å; D70-N72 PolarHBondContact O-N 3.38Å; D70-N72 PolarHBondContact O-ND2 3Å
71G66.4Low68.9Low68 Ų6883.7 Ų83.770%0.70145%0.449SS*.THydrogen-bonded Turntrans73.86.4-177.400000115.5V69V69-G71 PolarHBondContact O-N 2.79Å; V69-G71 VanDerWaalsContact O-N 3.15Å
72N62.7Low70.3Confident93 Ų9381.9 Ų81.950%0.49744%0.435SS..EExtended strand (participates in β ladder)trans-105.4127.7175.3-62.4-88.4000110.2V68 V69 D70 I74V68-N72 WeakPolarHBondContact CA-O 3.42Å; V69-N72 PolarHBondContact N-O 2.92Å; V69-N72 WeakPolarHBondContact O-CB 3.43Å; V69-N72 PolarHBondContact O-N 2.72Å; D70-N72 VanDerWaalsContact C-N 3.25Å; D70-N72 PolarHBondContact O-N 3.38Å; D70-N72 PolarHBondContact O-ND2 3Å; N72-I74 PolarHBondContact O-N 2.83Å
73V75.4Confident71.4Confident62 Ų6277.5 Ų77.538%0.37642%0.423SS..EExtended strand (participates in β ladder)trans-81115.7177.7-168.80000109.6V66 V68 Y75V66-V73 HydrophobicContact CG1-CG1 3.31Å; V68-V73 HydrophobicContact CG2-CG2 4.34Å; V73-Y75 HydrophobicContact CB-CE2 4.23Å; V73-Y75 HydrophobicContact CG1-CE1 3.99Å; V73-Y75 HydrophobicContact CG1-CE2 3.89Å; V73-Y75 VanDerWaalsContact CG1-CZ 3.49Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.38Å
74I81.5Confident72.6Confident39 Ų3976 Ų7620%0.241%0.411CS..EExtended strand (participates in β ladder)trans-111.8131.7-179.6-54.5176.7000109.3K67 V69 N72 F76K67-I74 PolarHBondContact N-O 3.22Å; K67-I74 WeakPolarHBondContact O-CB 3.38Å; K67-I74 PolarHBondContact O-N 3.04Å; V69-I74 HydrophobicContact CB-CD1 4.13Å; V69-I74 HydrophobicContact CG2-CD1 4.21Å; N72-I74 PolarHBondContact O-N 2.83Å; I74-F76 HydrophobicContact CB-CE2 3.76Å; I74-F76 HydrophobicContact CB-CZ 4.39Å; I74-F76 HydrophobicContact CG2-CD2 4.09Å; I74-F76 HydrophobicContact CG2-CE2 3.43Å; I74-F76 VanDerWaalsContact CG2-CE2 3.43Å; I74-F76 HydrophobicContact CG2-CZ 3.8Å
75Y81Confident73.4Confident43 Ų4379 Ų7917%0.16943%0.427CS..EExtended strand (participates in β ladder)trans-106119.1-175.3-57-87.8000109.9V66 V73 S83 Y84 L87V66-Y75 HydrophobicContact CG1-CD1 4.34Å; V66-Y75 HydrophobicContact CG1-CE1 4.09Å; V66-Y75 HydrophobicContact CG2-CD1 3.85Å; V66-Y75 HydrophobicContact CG2-CE1 4Å; V73-Y75 HydrophobicContact CB-CE2 4.23Å; V73-Y75 HydrophobicContact CG1-CE1 3.99Å; V73-Y75 HydrophobicContact CG1-CE2 3.89Å; V73-Y75 VanDerWaalsContact CG1-CZ 3.49Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.38Å; Y75-S83 CarbonylContact O-C 3.2Å; Y75-Y84 WeakPolarHBondContact CD2-O 3.41Å; Y75-Y84 PolarHBondContact N-O 2.78Å; Y75-Y84 PolarHBondContact O-N 3.35Å; Y75-L87 HydrophobicContact CD1-CD2 3.36Å; Y75-L87 HydrophobicContact CD1-CG 3.7Å; Y75-L87 HydrophobicContact CD2-CG 4.48Å; Y75-L87 HydrophobicContact CE1-CD1 3.99Å; Y75-L87 HydrophobicContact CE1-CD2 3.45Å; Y75-L87 VanDerWaalsContact CE1-CD2 3.45Å; Y75-L87 HydrophobicContact CE1-CG 3.4Å; Y75-L87 HydrophobicContact CE2-CG 4.23Å; Y75-L87 HydrophobicContact CG-CD2 4.11Å; Y75-L87 HydrophobicContact CG-CG 4.24Å
76F79Confident74Confident54 Ų5474.9 Ų74.924%0.23741%0.414CS..EExtended strand (participates in β ladder)trans-105.3135.5-178.2-63.1-110.3000109.3H64 F65 K67 I74 E81 R82 L90H64-F76 CarbonylContact C-O 3.58Å; H64-F76 WeakPolarHBondContact CA-O 3.49Å; F65-F76 HydrophobicContact CB-CB 4.27Å; F65-F76 PolarHBondContact N-O 3.03Å; F65-F76 PolarHBondContact O-N 2.66Å; K67-F76 HydrophobicContact CB-CD2 4.24Å; K67-F76 HydrophobicContact CB-CE2 3.68Å; K67-F76 HydrophobicContact CB-CZ 4.44Å; I74-F76 HydrophobicContact CB-CE2 3.76Å; I74-F76 HydrophobicContact CB-CZ 4.39Å; I74-F76 HydrophobicContact CG2-CD2 4.09Å; I74-F76 HydrophobicContact CG2-CE2 3.43Å; I74-F76 VanDerWaalsContact CG2-CE2 3.43Å; I74-F76 HydrophobicContact CG2-CZ 3.8Å; F76-E81 WeakPolarHBondContact CD1-O 3.31Å; F76-R82 WeakPolarHBondContact CA-O 3.5Å; F76-L90 VanDerWaalsContact C-CD1 3.49Å
77C81.2Confident74.4Confident2 Ų275.2 Ų75.21%0.01441%0.412CS..EExtended strand (participates in β ladder)trans-87.4120.5170.4-175.50000109.1V79 C80 E81 R82 L90C77-V79 PolarHBondContact O-N 2.93Å; C77-C80 PolarHBondContact O-N 3.2Å; C77-E81 WeakPolarHBondContact O-CA 3.05Å; C77-E81 PolarHBondContact O-N 2.78Å; C77-R82 PolarHBondContact N-O 3.29Å; C77-R82 VanDerWaalsContact N-O 3.08Å; C77-L90 HydrophobicContact CB-CD1 3.81Å
78S72.5Confident74.6Confident28 Ų2872.9 Ų72.920%0.19641%0.413CS..THydrogen-bonded Turntrans-60.9-29.2-178.359.90000113.1N63 F65 C80N63-S78 WeakPolarHBondContact CA-OG 3.04Å; N63-S78 WeakPolarHBondContact CB-OG 3.14Å; N63-S78 PolarHBondContact O-N 2.97Å; N63-S78 PolarHBondContact OD1-OG 3.11Å; F65-S78 VanDerWaalsContact CE2-CB 3.43Å; S78-C80 VanDerWaalsContact C-N 3.26Å; S78-C80 PolarHBondContact O-N 3.12Å
79V72.5Confident75.1Confident79 Ų7969.9 Ų69.948%0.47940%0.396SS..THydrogen-bonded Turntrans-70.1-17.8-175.1-165.80000113.4N63 C77 H97N63-V79 HydrophobicContact CB-CG2 3.97Å; C77-V79 PolarHBondContact O-N 2.93Å; V79-H97 HydrophobicContact CB-CB 4.48Å; V79-H97 HydrophobicContact CG1-CB 4.17Å
80C77.4Confident75.9Confident44 Ų4467.7 Ų67.730%0.29738%0.382SS..THydrogen-bonded Turntrans-15527.317075.40000114.2C77 S78 R82 H93 H97C77-C80 PolarHBondContact O-N 3.2Å; S78-C80 VanDerWaalsContact C-N 3.26Å; S78-C80 PolarHBondContact O-N 3.12Å; C80-R82 PolarHBondContact O-N 3.42Å; C80-H93 PolarHBondContact SG-NE2 3.28Å; C80-H97 PolarHBondContact SG-NE2 3.09Å; C80-H97 VanDerWaalsContact SG-NE2 3.35Å
81E77.4Confident77.1Confident159 Ų15967.3 Ų67.374%0.74337%0.373SS*.  trans50.111.9176.6-58.7-177.2173.800117.3F76 C77 S83F76-E81 WeakPolarHBondContact CD1-O 3.31Å; C77-E81 WeakPolarHBondContact O-CA 3.05Å; C77-E81 PolarHBondContact O-N 2.78Å; E81-S83 PolarHBondContact O-N 3.29Å
82R77.4Confident77.6Confident59 Ų5969.7 Ų69.722%0.22336%0.361CS..  trans-72.6125.8-175.6-81.4-167.6170.5103.22.8112.2F76 C77 C80 Y84 S312 T314F76-R82 WeakPolarHBondContact CA-O 3.5Å; C77-R82 PolarHBondContact N-O 3.29Å; C77-R82 VanDerWaalsContact N-O 3.08Å; C80-R82 PolarHBondContact O-N 3.42Å; R82-Y84 HydrophobicContact CB-CE2 3.63Å; R82-Y84 WeakPolarHBondContact CD-OH 3.42Å; R82-Y84 VanDerWaalsContact O-CD2 3.27Å; R82-Y84 WeakPolarHBondContact O-CD2 3.32Å; R82-Y84 VanDerWaalsContact O-CE2 3.32Å; R82-Y84 WeakPolarHBondContact O-CE2 3.35Å; R82-S312 PolarHBondContact NH1-OG 3.25Å; R82-S312 PolarHBondContact NH2-OG 2.92Å; R82-T314 PolarHBondContact NH2-OG1 2.64Å
83S81.8Confident78.4Confident71 Ų7166.3 Ų66.350%0.49734%0.342SS..EExtended strand (participates in β ladder)trans-76.1142.4173.450.70000113Y75 E81Y75-S83 CarbonylContact O-C 3.2Å; E81-S83 PolarHBondContact O-N 3.29Å
84Y81.3Confident78.2Confident52 Ų5265.3 Ų65.320%0.20434%0.338CS..EExtended strand (participates in β ladder)trans-141.8134.1177-66.8-77.1000110.2Y75 R82 T86 L90 H93Y75-Y84 WeakPolarHBondContact CD2-O 3.41Å; Y75-Y84 PolarHBondContact N-O 2.78Å; Y75-Y84 PolarHBondContact O-N 3.35Å; R82-Y84 HydrophobicContact CB-CE2 3.63Å; R82-Y84 WeakPolarHBondContact CD-OH 3.42Å; R82-Y84 VanDerWaalsContact O-CD2 3.27Å; R82-Y84 WeakPolarHBondContact O-CD2 3.32Å; R82-Y84 VanDerWaalsContact O-CE2 3.32Å; R82-Y84 WeakPolarHBondContact O-CE2 3.35Å; Y84-T86 PolarHBondContact O-N 2.8Å; Y84-L90 HydrophobicContact CD2-CB 4.3Å; Y84-L90 HydrophobicContact CD2-CD1 4.06Å; Y84-H93 HydrophobicContact CE1-CB 4.37Å; Y84-H93 HydrophobicContact CE2-CB 3.93Å; Y84-H93 AromaticContact CE2-CD2 3.31Å; Y84-H93 WeakPolarHBondContact CE2-CD2 3.34Å; Y84-H93 AromaticContact CE2-CG 3.67Å; Y84-H93 AromaticContact CZ-CD2 3.7Å; Y84-H93 AromaticContact CZ-CG 3.59Å; Y84-H93 PolarHBondContact OH-CD2 3.26Å; Y84-H93 VanDerWaalsContact OH-CG 3.23Å; Y84-H93 PolarHBondContact OH-ND1 3.01Å
85M79.9Confident77.8Confident147 Ų14765.6 Ų65.672%0.72434%0.34SS*.SBendtrans-71.8-4.8178.3-57-177.779.600114.2
86T80.5Confident77.2Confident53 Ų5367.5 Ų67.533%0.32536%0.356SS..SBendtrans-146.2142.5179.271.40000112.9Y84 S88 S89 L90Y84-T86 PolarHBondContact O-N 2.8Å; T86-S88 WeakPolarHBondContact CB-OG 3.18Å; T86-S88 PolarHBondContact O-N 3.08Å; T86-S88 PolarHBondContact OG1-OG 2.91Å; T86-S89 WeakPolarHBondContact O-CB 3.36Å; T86-S89 PolarHBondContact O-N 3.34Å; T86-S89 WeakPolarHBondContact OG1-CB 3.35Å; T86-S89 PolarHBondContact OG1-N 2.8Å; T86-S89 PolarHBondContact OG1-OG 3.01Å; T86-L90 PolarHBondContact O-N 3.15Å
87L76.4Confident76.6Confident87 Ų8767.6 Ų67.646%0.45536%0.357SS..Hα-helixtrans-51.3-37.4167.2-76.2168.4000112.5Y75 S89 L90 K91Y75-L87 HydrophobicContact CD1-CD2 3.36Å; Y75-L87 HydrophobicContact CD1-CG 3.7Å; Y75-L87 HydrophobicContact CD2-CG 4.48Å; Y75-L87 HydrophobicContact CE1-CD1 3.99Å; Y75-L87 HydrophobicContact CE1-CD2 3.45Å; Y75-L87 VanDerWaalsContact CE1-CD2 3.45Å; Y75-L87 HydrophobicContact CE1-CG 3.4Å; Y75-L87 HydrophobicContact CE2-CG 4.23Å; Y75-L87 HydrophobicContact CG-CD2 4.11Å; Y75-L87 HydrophobicContact CG-CG 4.24Å; L87-S89 VanDerWaalsContact C-N 3.29Å; L87-S89 PolarHBondContact O-N 3.32Å; L87-L90 HydrophobicContact CD2-CD2 4.29Å; L87-L90 PolarHBondContact O-N 3.34Å; L87-K91 VanDerWaalsContact O-CB 3.27Å; L87-K91 WeakPolarHBondContact O-CB 3.17Å; L87-K91 PolarHBondContact O-N 3.23Å
88S77.5Confident75.7Confident88 Ų8870.1 Ų70.162%0.61538%0.375SS*.Hα-helixtrans-65.9-29.4177.155.90000113.4T86 R92T86-S88 WeakPolarHBondContact CB-OG 3.18Å; T86-S88 PolarHBondContact O-N 3.08Å; T86-S88 PolarHBondContact OG1-OG 2.91Å; S88-R92 WeakPolarHBondContact O-CB 3.35Å; S88-R92 PolarHBondContact O-N 2.89Å
89S80.3Confident74.8Confident28 Ų2877.6 Ų77.620%0.19640%0.399CS..Hα-helixtrans-79.7-41.4174.8-63.70000111.4T86 L87 R92 H93T86-S89 WeakPolarHBondContact O-CB 3.36Å; T86-S89 PolarHBondContact O-N 3.34Å; T86-S89 WeakPolarHBondContact OG1-CB 3.35Å; T86-S89 PolarHBondContact OG1-N 2.8Å; T86-S89 PolarHBondContact OG1-OG 3.01Å; L87-S89 VanDerWaalsContact C-N 3.29Å; L87-S89 PolarHBondContact O-N 3.32Å; S89-R92 PolarHBondContact O-N 3.12Å; S89-H93 WeakPolarHBondContact O-CB 3.35Å; S89-H93 PolarHBondContact O-N 2.8Å
90L79.9Confident73.8Confident12 Ų1282.5 Ų82.56%0.06341%0.409CS..Hα-helixtrans-60.1-54.2173178.895.8000111.7H64 F76 C77 Y84 T86 L87 R92 H93 S94H64-L90 HydrophobicContact CB-CD2 3.57Å; F76-L90 VanDerWaalsContact C-CD1 3.49Å; C77-L90 HydrophobicContact CB-CD1 3.81Å; Y84-L90 HydrophobicContact CD2-CB 4.3Å; Y84-L90 HydrophobicContact CD2-CD1 4.06Å; T86-L90 PolarHBondContact O-N 3.15Å; L87-L90 HydrophobicContact CD2-CD2 4.29Å; L87-L90 PolarHBondContact O-N 3.34Å; L90-R92 PolarHBondContact O-N 3.34Å; L90-H93 CarbonylContact O-C 3.6Å; L90-H93 WeakPolarHBondContact O-CA 3.47Å; L90-H93 WeakPolarHBondContact O-CB 3.27Å; L90-H93 PolarHBondContact O-N 3.29Å; L90-S94 PolarHBondContact O-N 3.24Å
91K77.7Confident72.8Confident145 Ų14586.4 Ų86.463%0.6342%0.417SS*.Hα-helixtrans-63.3-25.7-180-167.1160.8-172.6158.20112.8L87 S94 N95L87-K91 VanDerWaalsContact O-CB 3.27Å; L87-K91 WeakPolarHBondContact O-CB 3.17Å; L87-K91 PolarHBondContact O-N 3.23Å; K91-S94 PolarHBondContact O-OG 2.84Å; K91-N95 PolarHBondContact O-ND2 2.82Å
92R76.4Confident72.2Confident119 Ų11985.4 Ų85.445%0.44941%0.411SS..Hα-helixtrans-75.7-27.2170.1-178-179.566.3157.6-4.7112.8S88 S89 L90 L114S88-R92 WeakPolarHBondContact O-CB 3.35Å; S88-R92 PolarHBondContact O-N 2.89Å; S89-R92 PolarHBondContact O-N 3.12Å; L90-R92 PolarHBondContact O-N 3.34Å; R92-L114 HydrophobicContact CG-CD1 4.16Å; R92-L114 HydrophobicContact CG-CD2 3.54Å; R92-L114 HydrophobicContact CG-CG 3.96Å
93H78.8Confident71.9Confident21 Ų2187 Ų8710%0.09742%0.417CS..Hα-helixtrans-85.6-38.5176.2168.559.5000112.9C80 Y84 S89 L90 N95 V96 H97C80-H93 PolarHBondContact SG-NE2 3.28Å; Y84-H93 HydrophobicContact CE1-CB 4.37Å; Y84-H93 HydrophobicContact CE2-CB 3.93Å; Y84-H93 AromaticContact CE2-CD2 3.31Å; Y84-H93 WeakPolarHBondContact CE2-CD2 3.34Å; Y84-H93 AromaticContact CE2-CG 3.67Å; Y84-H93 AromaticContact CZ-CD2 3.7Å; Y84-H93 AromaticContact CZ-CG 3.59Å; Y84-H93 PolarHBondContact OH-CD2 3.26Å; Y84-H93 VanDerWaalsContact OH-CG 3.23Å; Y84-H93 PolarHBondContact OH-ND1 3.01Å; S89-H93 WeakPolarHBondContact O-CB 3.35Å; S89-H93 PolarHBondContact O-N 2.8Å; L90-H93 CarbonylContact O-C 3.6Å; L90-H93 WeakPolarHBondContact O-CA 3.47Å; L90-H93 WeakPolarHBondContact O-CB 3.27Å; L90-H93 PolarHBondContact O-N 3.29Å; H93-N95 PolarHBondContact O-N 3.23Å; H93-V96 WeakPolarHBondContact O-CA 3.48Å; H93-V96 WeakPolarHBondContact O-CB 3.15Å; H93-V96 WeakPolarHBondContact O-CG2 3.49Å; H93-V96 PolarHBondContact O-N 3.16Å; H93-H97 AromaticContact CE1-CD2 3.9Å; H93-H97 AromaticContact CE1-NE2 3.34Å; H93-H97 PolarHBondContact CE1-NE2 2.85Å; H93-H97 VanDerWaalsContact CE1-NE2 3.34Å; H93-H97 AromaticContact NE2-CD2 3.67Å; H93-H97 AromaticContact NE2-NE2 3.15Å; H93-H97 PolarHBondContact NE2-NE2 3.27Å; H93-H97 VanDerWaalsContact NE2-NE2 3.15Å
94S71.6Confident71.5Confident42 Ų4286.8 Ų86.829%0.29441%0.414SS..Hα-helixtrans-62.7-26.4175.661.60000112.7L90 K91 V96 H97 S98L90-S94 PolarHBondContact O-N 3.24Å; K91-S94 PolarHBondContact O-OG 2.84Å; S94-V96 PolarHBondContact O-N 2.77Å; S94-V96 VanDerWaalsContact O-N 3.12Å; S94-H97 PolarHBondContact O-N 3.13Å; S94-S98 PolarHBondContact O-N 2.9Å; S94-S98 PolarHBondContact O-OG 3.01Å
95N72.9Confident71.4Confident44 Ų4484.8 Ų84.824%0.23541%0.408CS..Hα-helixtrans-61.1-11166.4-72.3-21.1000114.7K91 H93 A113K91-N95 PolarHBondContact O-ND2 2.82Å; H93-N95 PolarHBondContact O-N 3.23Å; N95-A113 HydrophobicContact CB-CB 4.28Å; N95-A113 WeakPolarHBondContact O-CB 3.47Å
96V68.9Low71Confident83 Ų8384.8 Ų84.850%0.50341%0.405SS..Hα-helixtrans-83.1-39.2169.9-175.90000110.6H93 S94H93-V96 WeakPolarHBondContact O-CA 3.48Å; H93-V96 WeakPolarHBondContact O-CB 3.15Å; H93-V96 WeakPolarHBondContact O-CG2 3.49Å; H93-V96 PolarHBondContact O-N 3.16Å; S94-V96 PolarHBondContact O-N 2.77Å; S94-V96 VanDerWaalsContact O-N 3.12Å
97H67.1Low70.5Confident56 Ų5688.5 Ų88.526%0.25942%0.415SS..Hα-helixtrans-78.4-38.3-179.6-66.5-59.4000113.1V79 C80 H93 S94 W99V79-H97 HydrophobicContact CB-CB 4.48Å; V79-H97 HydrophobicContact CG1-CB 4.17Å; C80-H97 PolarHBondContact SG-NE2 3.09Å; C80-H97 VanDerWaalsContact SG-NE2 3.35Å; H93-H97 AromaticContact CE1-CD2 3.9Å; H93-H97 AromaticContact CE1-NE2 3.34Å; H93-H97 PolarHBondContact CE1-NE2 2.85Å; H93-H97 VanDerWaalsContact CE1-NE2 3.34Å; H93-H97 AromaticContact NE2-CD2 3.67Å; H93-H97 AromaticContact NE2-NE2 3.15Å; H93-H97 PolarHBondContact NE2-NE2 3.27Å; H93-H97 VanDerWaalsContact NE2-NE2 3.15Å; S94-H97 PolarHBondContact O-N 3.13Å; H97-W99 PolarHBondContact O-N 3.23Å
98S61.8Low70.7Confident56 Ų5685.4 Ų85.439%0.39240%0.4SS..SBendtrans-71.4-2.1-171.165.90000115.5S94 R100S94-S98 PolarHBondContact O-N 2.9Å; S94-S98 PolarHBondContact O-OG 3.01Å; S98-R100 PolarHBondContact O-N 3.44Å
99W53.5Low70.5Confident185 Ų18588.7 Ų88.770%0.70141%0.411SS*.  trans53.6-11.4-174.4-72.284.6000117.2H97 R101H97-W99 PolarHBondContact O-N 3.23Å; W99-R101 VanDerWaalsContact CE3-NH2 3.29Å; W99-R101 PolarHBondContact O-N 3.49Å
100R51.8Low70.1Confident181 Ų18191.2 Ų91.268%0.68342%0.418SS*.  trans-67.573.9174.2-66.5-179.8-170.6-100.510.7110.7S98 K102S98-R100 PolarHBondContact O-N 3.44Å; R100-K102 VanDerWaalsContact O-CG 3.31Å; R100-K102 WeakPolarHBondContact O-CG 3.45Å; R100-K102 PolarHBondContact O-N 3.34Å
101R55.2Low70Confident126 Ų12693.4 Ų93.448%0.47543%0.432SS..  trans-64.198.5169.7-65.4166.4177.1108.315.4108.1W99 V111 F112W99-R101 VanDerWaalsContact CE3-NH2 3.29Å; W99-R101 PolarHBondContact O-N 3.49Å; R101-V111 HydrophobicContact CB-CB 3.68Å; R101-V111 HydrophobicContact CB-CG1 3.52Å; R101-V111 WeakPolarHBondContact CD-O 3.27Å; R101-V111 WeakPolarHBondContact O-CG1 3.45Å; R101-F112 CarbonylContact C-O 3.49Å
102K66.1Low69.9Low139 Ų13988.8 Ų88.860%0.60441%0.412SS*.  trans-82.9-6.5-173.7-56.5-161.7179.9-171.10114.8R100 P104 F112R100-K102 VanDerWaalsContact O-CG 3.31Å; R100-K102 WeakPolarHBondContact O-CG 3.45Å; R100-K102 PolarHBondContact O-N 3.34Å; K102-P104 WeakPolarHBondContact O-CD 3.42Å; K102-F112 PolarHBondContact N-O 3.48Å
103Y71Confident69.7Low92 Ų9284.1 Ų84.136%0.36140%0.399SS..EExtended strand (participates in β ladder)trans-124.883.9-169.2-58.4-75.9000113.1F112 L114 A115Y103-F112 WeakPolarHBondContact CB-O 3.32Å; Y103-F112 PolarHBondContact N-O 2.85Å; Y103-F112 PolarHBondContact O-N 3.4Å; Y103-L114 VanDerWaalsContact CD2-C 3.4Å; Y103-A115 HydrophobicContact CD1-CB 3.84Å; Y103-A115 VanDerWaalsContact CD2-N 3.31Å; Y103-A115 HydrophobicContact CE1-CB 3.8Å; Y103-A115 HydrophobicContact CG-CB 4.24Å
104P72.4Confident69.4Low67 Ų6784 Ų8444%0.43540%0.399SS..EExtended strand (participates in β ladder)trans-66.6139.1171.427.8-33.8000111.1K102 V111 R118K102-P104 WeakPolarHBondContact O-CD 3.42Å; P104-V111 HydrophobicContact CB-CG1 4.12Å; P104-V111 HydrophobicContact CB-CG2 4.48Å; P104-R118 WeakPolarHBondContact O-CD 3.32Å; P104-R118 VanDerWaalsContact O-CZ 3.25Å; P104-R118 PolarHBondContact O-NE 3.03Å; P104-R118 PolarHBondContact O-NH1 3.27Å
105C80.1Confident69.5Low9 Ų984.2 Ų84.26%0.06140%0.403CS..EExtended strand (participates in β ladder)trans-71.7138.7169179.60000110Y107 C108 K110 F112 E122C105-Y107 PolarHBondContact O-N 3.42Å; C105-Y107 PolarHBondContact SG-N 3.36Å; C105-C108 WeakPolarHBondContact CB-O 3.44Å; C105-C108 VanDerWaalsContact O-O 3.13Å; C105-K110 WeakPolarHBondContact CB-O 3.35Å; C105-K110 PolarHBondContact N-O 2.92Å; C105-K110 VanDerWaalsContact N-O 3.13Å; C105-F112 HydrophobicContact CB-CE2 4.35Å; C105-E122 VanDerWaalsContact SG-CG 3.52Å
106H70.8Confident69.7Low147 Ų14786.4 Ų86.468%0.68141%0.412SS*.THydrogen-bonded Turntrans-69.7-12.3177.3-71.4-50000114.6R118 E122H106-R118 PolarHBondContact CD2-NH2 2.84Å; H106-R118 PolarHBondContact NE2-NH2 3.38Å; H106-E122 IonicContact CD2-OE1 2.64Å; H106-E122 PolarHBondContact N-OE1 3.41Å
107Y70.3Confident69.9Low132 Ų13287.9 Ų87.952%0.51841%0.409SS..THydrogen-bonded Turntrans-113.3-2.2-172.8-56.8-73.7000114.4C105 E122 H125 T126C105-Y107 PolarHBondContact O-N 3.42Å; C105-Y107 PolarHBondContact SG-N 3.36Å; Y107-E122 HydrophobicContact CD2-CB 4.43Å; Y107-E122 HydrophobicContact CD2-CG 4.22Å; Y107-E122 HydrophobicContact CE2-CB 4.44Å; Y107-E122 HydrophobicContact CE2-CG 4.48Å; Y107-H125 VanDerWaalsContact CB-CG 3.41Å; Y107-H125 HydrophobicContact CD1-CB 4.48Å; Y107-H125 HydrophobicContact CD2-CB 3.64Å; Y107-H125 HydrophobicContact CE2-CB 4.49Å; Y107-H125 HydrophobicContact CG-CB 3.64Å; Y107-H125 PolarHBondContact O-CE1 2.95Å; Y107-T126 HydrophobicContact CE2-CG2 3.82Å
108C79.7Confident70.4Confident21 Ų2187.4 Ų87.414%0.14241%0.405CS..EExtended strand (participates in β ladder)trans-171.1164170.466.60000111.5C105 K110 H121 H125C105-C108 WeakPolarHBondContact CB-O 3.44Å; C105-C108 VanDerWaalsContact O-O 3.13Å; C108-K110 PolarHBondContact O-N 3.17Å; C108-H121 PolarHBondContact SG-NE2 2.13Å; C108-H121 VanDerWaalsContact SG-NE2 3.43Å; C108-H125 WeakPolarHBondContact CB-CE1 3.42Å; C108-H125 PolarHBondContact SG-CE1 2.85Å; C108-H125 PolarHBondContact SG-NE2 2.76Å
109D73.6Confident71.1Confident158 Ų15888.3 Ų88.385%0.84541%0.408SS*.EExtended strand (participates in β ladder)trans-66.113.6-177.6-31.9-50.8000115.5V111D109-V111 WeakPolarHBondContact O-CG2 3.47Å; D109-V111 PolarHBondContact O-N 2.94Å
110K73Confident72.2Confident80 Ų8085 Ų8535%0.34840%0.399SS..EExtended strand (participates in β ladder)trans-79.7107176-68.6171.8-171.11390109.3C105 C108 F112 H304C105-K110 WeakPolarHBondContact CB-O 3.35Å; C105-K110 PolarHBondContact N-O 2.92Å; C105-K110 VanDerWaalsContact N-O 3.13Å; C108-K110 PolarHBondContact O-N 3.17Å; K110-F112 HydrophobicContact CB-CE2 3.75Å; K110-F112 HydrophobicContact CB-CZ 4.04Å; K110-F112 VanDerWaalsContact O-CD2 3.29Å; K110-F112 WeakPolarHBondContact O-CD2 3.46Å; K110-F112 WeakPolarHBondContact O-CE2 3.31Å; K110-H304 PolarHBondContact NZ-NE2 3.01Å; K110-H304 VanDerWaalsContact NZ-NE2 3.16Å
111V76.8Confident73.4Confident58 Ų5877.9 Ų77.935%0.35237%0.373SS..EExtended strand (participates in β ladder)trans-96.2133.1178.1-152.80000110.2R101 P104 D109R101-V111 HydrophobicContact CB-CB 3.68Å; R101-V111 HydrophobicContact CB-CG1 3.52Å; R101-V111 WeakPolarHBondContact CD-O 3.27Å; R101-V111 WeakPolarHBondContact O-CG1 3.45Å; P104-V111 HydrophobicContact CB-CG1 4.12Å; P104-V111 HydrophobicContact CB-CG2 4.48Å; D109-V111 WeakPolarHBondContact O-CG2 3.47Å; D109-V111 PolarHBondContact O-N 2.94Å
112F76.7Confident74.4Confident48 Ų4873 Ų7321%0.21136%0.356CS..EExtended strand (participates in β ladder)trans-112152.5-174.9-65.1-93.8000111.9R101 K102 Y103 C105 K110 L114 R118 H121R101-F112 CarbonylContact C-O 3.49Å; K102-F112 PolarHBondContact N-O 3.48Å; Y103-F112 WeakPolarHBondContact CB-O 3.32Å; Y103-F112 PolarHBondContact N-O 2.85Å; Y103-F112 PolarHBondContact O-N 3.4Å; C105-F112 HydrophobicContact CB-CE2 4.35Å; K110-F112 HydrophobicContact CB-CE2 3.75Å; K110-F112 HydrophobicContact CB-CZ 4.04Å; K110-F112 VanDerWaalsContact O-CD2 3.29Å; K110-F112 WeakPolarHBondContact O-CD2 3.46Å; K110-F112 WeakPolarHBondContact O-CE2 3.31Å; F112-L114 VanDerWaalsContact C-N 3.34Å; F112-R118 HydrophobicContact CB-CB 4.23Å; F112-R118 HydrophobicContact CD2-CB 4.06Å; F112-R118 HydrophobicContact CD2-CG 4.2Å; F112-R118 HydrophobicContact CG-CB 4.28Å; F112-H121 HydrophobicContact CE1-CB 4.22Å; F112-H121 HydrophobicContact CE2-CB 4.01Å; F112-H121 AromaticContact CE2-CD2 3.39Å; F112-H121 WeakPolarHBondContact CE2-CD2 3.36Å; F112-H121 AromaticContact CE2-CG 3.91Å; F112-H121 HydrophobicContact CZ-CB 3.6Å; F112-H121 AromaticContact CZ-CD2 3.37Å; F112-H121 WeakPolarHBondContact CZ-CD2 3.47Å; F112-H121 AromaticContact CZ-CG 3.49Å; F112-H121 VanDerWaalsContact CZ-CG 3.49Å
113A71.4Confident74.7Confident21 Ų2167.3 Ų67.317%0.17433%0.333CS..SBendtrans-76.4-19.4174.100000113.4N95N95-A113 HydrophobicContact CB-CB 4.28Å; N95-A113 WeakPolarHBondContact O-CB 3.47Å
114L73.4Confident74.6Confident20 Ų2070 Ų7011%0.10534%0.342CS..SBendtrans-136.7140.4180-68.968.4000110.9R92 Y103 F112 E116 Y117 R118R92-L114 HydrophobicContact CG-CD1 4.16Å; R92-L114 HydrophobicContact CG-CD2 3.54Å; R92-L114 HydrophobicContact CG-CG 3.96Å; Y103-L114 VanDerWaalsContact CD2-C 3.4Å; F112-L114 VanDerWaalsContact C-N 3.34Å; L114-E116 PolarHBondContact O-N 3.06Å; L114-Y117 HydrophobicContact CB-CD2 3.82Å; L114-Y117 HydrophobicContact CB-CE2 4.37Å; L114-Y117 HydrophobicContact CD1-CD2 3.99Å; L114-Y117 HydrophobicContact CD1-CE2 3.93Å; L114-Y117 HydrophobicContact CD2-CD2 3.94Å; L114-Y117 HydrophobicContact CD2-CE2 3.64Å; L114-Y117 HydrophobicContact CG-CD2 4.15Å; L114-Y117 HydrophobicContact CG-CE2 4.21Å; L114-Y117 PolarHBondContact O-N 2.83Å; L114-Y117 VanDerWaalsContact O-N 3.15Å; L114-R118 PolarHBondContact O-N 3.04Å
115A72.9Confident74.2Confident45 Ų4570.2 Ų70.237%0.37234%0.338SS..Hα-helixtrans-58.2-31.5171.200000113.5Y103 Y117 R118 T119Y103-A115 HydrophobicContact CD1-CB 3.84Å; Y103-A115 VanDerWaalsContact CD2-N 3.31Å; Y103-A115 HydrophobicContact CE1-CB 3.8Å; Y103-A115 HydrophobicContact CG-CB 4.24Å; A115-Y117 VanDerWaalsContact C-N 3.32Å; A115-Y117 PolarHBondContact O-N 3.21Å; A115-R118 PolarHBondContact O-N 3.36Å; A115-T119 PolarHBondContact O-N 3.03Å; A115-T119 PolarHBondContact O-OG1 3.21Å
116E76.4Confident73.5Confident91 Ų9172.5 Ų72.543%0.42535%0.351SS..Hα-helixtrans-65.4-34.2177.7-159.2-157.1148.700112.3L114 T119 K120L114-E116 PolarHBondContact O-N 3.06Å; E116-T119 PolarHBondContact O-OG1 3.4Å; E116-K120 WeakPolarHBondContact O-CB 3.46Å; E116-K120 WeakPolarHBondContact O-CD 3.39Å; E116-K120 WeakPolarHBondContact O-CG 3.37Å; E116-K120 PolarHBondContact O-N 2.95Å; E116-K120 WeakPolarHBondContact OE1-CE 3.17Å; E116-K120 IonicContact OE1-NZ 3.69Å; E116-K120 PolarHBondContact OE1-NZ 2.73Å
117Y74.9Confident72.9Confident114 Ų11467.6 Ų67.645%0.44734%0.34SS..Hα-helixtrans-79.1-34174.9-64.9-49.9000112L114 A115 H121L114-Y117 HydrophobicContact CB-CD2 3.82Å; L114-Y117 HydrophobicContact CB-CE2 4.37Å; L114-Y117 HydrophobicContact CD1-CD2 3.99Å; L114-Y117 HydrophobicContact CD1-CE2 3.93Å; L114-Y117 HydrophobicContact CD2-CD2 3.94Å; L114-Y117 HydrophobicContact CD2-CE2 3.64Å; L114-Y117 HydrophobicContact CG-CD2 4.15Å; L114-Y117 HydrophobicContact CG-CE2 4.21Å; L114-Y117 PolarHBondContact O-N 2.83Å; L114-Y117 VanDerWaalsContact O-N 3.15Å; A115-Y117 VanDerWaalsContact C-N 3.32Å; A115-Y117 PolarHBondContact O-N 3.21Å; Y117-H121 WeakPolarHBondContact O-CB 3.49Å; Y117-H121 PolarHBondContact O-N 3.43Å
118R77.7Confident72.4Confident45 Ų4565.4 Ų65.417%0.1734%0.335CS..Hα-helixtrans-60.4-53.5173.1-169.2-159.5127.2156-10.8111.4P104 H106 F112 L114 A115 K120 H121 E122P104-R118 WeakPolarHBondContact O-CD 3.32Å; P104-R118 VanDerWaalsContact O-CZ 3.25Å; P104-R118 PolarHBondContact O-NE 3.03Å; P104-R118 PolarHBondContact O-NH1 3.27Å; H106-R118 PolarHBondContact CD2-NH2 2.84Å; H106-R118 PolarHBondContact NE2-NH2 3.38Å; F112-R118 HydrophobicContact CB-CB 4.23Å; F112-R118 HydrophobicContact CD2-CB 4.06Å; F112-R118 HydrophobicContact CD2-CG 4.2Å; F112-R118 HydrophobicContact CG-CB 4.28Å; L114-R118 PolarHBondContact O-N 3.04Å; A115-R118 PolarHBondContact O-N 3.36Å; R118-K120 VanDerWaalsContact C-N 3.35Å; R118-K120 PolarHBondContact O-N 2.79Å; R118-H121 CarbonylContact O-C 3.46Å; R118-H121 WeakPolarHBondContact O-CA 3.29Å; R118-H121 WeakPolarHBondContact O-CB 3.14Å; R118-H121 PolarHBondContact O-N 3.15Å; R118-E122 IonicContact CZ-OE1 2.71Å; R118-E122 IonicContact CZ-OE2 3.25Å; R118-E122 IonicContact NE-OE1 2.55Å; R118-E122 PolarHBondContact NE-OE1 3.43Å; R118-E122 IonicContact NE-OE2 3.89Å; R118-E122 PolarHBondContact NE-OE2 3.31Å; R118-E122 IonicContact NH2-OE1 3.66Å; R118-E122 PolarHBondContact NH2-OE1 3.49Å; R118-E122 IonicContact NH2-OE2 3.88Å; R118-E122 WeakPolarHBondContact O-CG 3.4Å; R118-E122 PolarHBondContact O-N 2.49Å
119T75.2Confident71.6Confident76 Ų7672.9 Ų72.947%0.46636%0.36SS..Hα-helixtrans-62.9-38.4178.749.90000112.6A115 E116 H121 E122 V123A115-T119 PolarHBondContact O-N 3.03Å; A115-T119 PolarHBondContact O-OG1 3.21Å; E116-T119 PolarHBondContact O-OG1 3.4Å; T119-H121 PolarHBondContact O-N 3.19Å; T119-E122 WeakPolarHBondContact CA-OE2 3.19Å; T119-E122 PolarHBondContact O-N 3.1Å; T119-V123 PolarHBondContact O-N 3.41Å
120K76Confident71.2Confident114 Ų11472 Ų7250%0.49635%0.345SS..Hα-helixtrans-64.6-23170.7-78.2172.3174.11720113.9E116 R118 W124E116-K120 WeakPolarHBondContact O-CB 3.46Å; E116-K120 WeakPolarHBondContact O-CD 3.39Å; E116-K120 WeakPolarHBondContact O-CG 3.37Å; E116-K120 PolarHBondContact O-N 2.95Å; E116-K120 WeakPolarHBondContact OE1-CE 3.17Å; E116-K120 IonicContact OE1-NZ 3.69Å; E116-K120 PolarHBondContact OE1-NZ 2.73Å; R118-K120 VanDerWaalsContact C-N 3.35Å; R118-K120 PolarHBondContact O-N 2.79Å; K120-W124 PolarHBondContact O-NE1 2.99Å
121H78.6Confident71Confident33 Ų3370.3 Ų70.315%0.15334%0.336CS..Hα-helixtrans-87.2-38.6175.1178.846.9000112.3C108 F112 Y117 R118 T119 V123 W124 H125C108-H121 PolarHBondContact SG-NE2 2.13Å; C108-H121 VanDerWaalsContact SG-NE2 3.43Å; F112-H121 HydrophobicContact CE1-CB 4.22Å; F112-H121 HydrophobicContact CE2-CB 4.01Å; F112-H121 AromaticContact CE2-CD2 3.39Å; F112-H121 WeakPolarHBondContact CE2-CD2 3.36Å; F112-H121 AromaticContact CE2-CG 3.91Å; F112-H121 HydrophobicContact CZ-CB 3.6Å; F112-H121 AromaticContact CZ-CD2 3.37Å; F112-H121 WeakPolarHBondContact CZ-CD2 3.47Å; F112-H121 AromaticContact CZ-CG 3.49Å; F112-H121 VanDerWaalsContact CZ-CG 3.49Å; Y117-H121 WeakPolarHBondContact O-CB 3.49Å; Y117-H121 PolarHBondContact O-N 3.43Å; R118-H121 CarbonylContact O-C 3.46Å; R118-H121 WeakPolarHBondContact O-CA 3.29Å; R118-H121 WeakPolarHBondContact O-CB 3.14Å; R118-H121 PolarHBondContact O-N 3.15Å; T119-H121 PolarHBondContact O-N 3.19Å; H121-V123 PolarHBondContact O-N 2.75Å; H121-W124 WeakPolarHBondContact O-CB 3.45Å; H121-W124 PolarHBondContact O-N 2.89Å; H121-H125 AromaticContact CD2-NE2 3.1Å; H121-H125 PolarHBondContact CD2-NE2 3.46Å; H121-H125 AromaticContact CE1-CD2 3.72Å; H121-H125 AromaticContact CE1-NE2 2.73Å; H121-H125 PolarHBondContact CE1-NE2 3.27Å; H121-H125 AromaticContact CG-NE2 3.98Å; H121-H125 AromaticContact ND1-NE2 3.79Å; H121-H125 AromaticContact NE2-CD2 3.55Å; H121-H125 AromaticContact NE2-NE2 2.13Å; H121-H125 PolarHBondContact NE2-NE2 2.94Å
122E75.6Confident71Confident22 Ų2270.4 Ų70.410%0.10333%0.333CS..Hα-helixtrans-59.7-32.1179-73.9166.9132.900112.5C105 H106 Y107 R118 T119 W124 H125 T126C105-E122 VanDerWaalsContact SG-CG 3.52Å; H106-E122 IonicContact CD2-OE1 2.64Å; H106-E122 PolarHBondContact N-OE1 3.41Å; Y107-E122 HydrophobicContact CD2-CB 4.43Å; Y107-E122 HydrophobicContact CD2-CG 4.22Å; Y107-E122 HydrophobicContact CE2-CB 4.44Å; Y107-E122 HydrophobicContact CE2-CG 4.48Å; R118-E122 IonicContact CZ-OE1 2.71Å; R118-E122 IonicContact CZ-OE2 3.25Å; R118-E122 IonicContact NE-OE1 2.55Å; R118-E122 PolarHBondContact NE-OE1 3.43Å; R118-E122 IonicContact NE-OE2 3.89Å; R118-E122 PolarHBondContact NE-OE2 3.31Å; R118-E122 IonicContact NH2-OE1 3.66Å; R118-E122 PolarHBondContact NH2-OE1 3.49Å; R118-E122 IonicContact NH2-OE2 3.88Å; R118-E122 WeakPolarHBondContact O-CG 3.4Å; R118-E122 PolarHBondContact O-N 2.49Å; T119-E122 WeakPolarHBondContact CA-OE2 3.19Å; T119-E122 PolarHBondContact O-N 3.1Å; E122-W124 PolarHBondContact O-N 2.93Å; E122-H125 PolarHBondContact O-N 2.9Å; E122-T126 PolarHBondContact O-N 2.85Å; E122-T126 PolarHBondContact O-OG1 3.24Å
123V72.9Confident71.2Confident21 Ų2168.1 Ų68.113%0.12732%0.323CS..Hα-helixtrans-59.7-22.9171.4173.60000113.5T119 H121 A141T119-V123 PolarHBondContact O-N 3.41Å; H121-V123 PolarHBondContact O-N 2.75Å; V123-A141 WeakPolarHBondContact CG1-O 3.42Å
124W67.5Low71.4Confident147 Ų14770.9 Ų70.956%0.55733%0.334SS*.Hα-helixtrans-80.5-21.6173.4-62.673.4000112.9K120 H121 E122 T142K120-W124 PolarHBondContact O-NE1 2.99Å; H121-W124 WeakPolarHBondContact O-CB 3.45Å; H121-W124 PolarHBondContact O-N 2.89Å; E122-W124 PolarHBondContact O-N 2.93Å; W124-T142 HydrophobicContact CH2-CG2 4.33Å; W124-T142 HydrophobicContact CZ2-CG2 3.53Å
125H64.8Low71.4Confident73 Ų7374.4 Ų74.434%0.33835%0.349SS..Hα-helixtrans-89.8-41.8178.8-74.3-80000112.4Y107 C108 H121 E122 G127Y107-H125 VanDerWaalsContact CB-CG 3.41Å; Y107-H125 HydrophobicContact CD1-CB 4.48Å; Y107-H125 HydrophobicContact CD2-CB 3.64Å; Y107-H125 HydrophobicContact CE2-CB 4.49Å; Y107-H125 HydrophobicContact CG-CB 3.64Å; Y107-H125 PolarHBondContact O-CE1 2.95Å; C108-H125 WeakPolarHBondContact CB-CE1 3.42Å; C108-H125 PolarHBondContact SG-CE1 2.85Å; C108-H125 PolarHBondContact SG-NE2 2.76Å; H121-H125 AromaticContact CD2-NE2 3.1Å; H121-H125 PolarHBondContact CD2-NE2 3.46Å; H121-H125 AromaticContact CE1-CD2 3.72Å; H121-H125 AromaticContact CE1-NE2 2.73Å; H121-H125 PolarHBondContact CE1-NE2 3.27Å; H121-H125 AromaticContact CG-NE2 3.98Å; H121-H125 AromaticContact ND1-NE2 3.79Å; H121-H125 AromaticContact NE2-CD2 3.55Å; H121-H125 AromaticContact NE2-NE2 2.13Å; H121-H125 PolarHBondContact NE2-NE2 2.94Å; E122-H125 PolarHBondContact O-N 2.9Å; H125-G127 PolarHBondContact O-N 3.31Å
126T65.4Low71.7Confident56 Ų5674.5 Ų74.534%0.34435%0.346SS..SBendtrans-68.5-12.3172.760.40000112.7Y107 E122 E128Y107-T126 HydrophobicContact CE2-CG2 3.82Å; E122-T126 PolarHBondContact O-N 2.85Å; E122-T126 PolarHBondContact O-OG1 3.24Å; T126-E128 PolarHBondContact O-N 3.17Å
127G58.7Low71.7Confident44 Ų4478.6 Ų78.645%0.45436%0.358SS..  trans65.48.4179.800000113.9H125 R129H125-G127 PolarHBondContact O-N 3.31Å; G127-R129 PolarHBondContact O-N 3.15Å
128E60Low71.8Confident87 Ų8777 Ų7741%0.40736%0.357SS..  trans-66.4104.4-174.3-74.8-178.9-178.600111T126 R130T126-E128 PolarHBondContact O-N 3.17Å; E128-R130 HydrophobicContact CB-CG 3.98Å; E128-R130 PolarHBondContact O-N 2.87Å; E128-R130 IonicContact OE2-CZ 3.13Å; E128-R130 IonicContact OE2-NE 2.89Å; E128-R130 PolarHBondContact OE2-NE 3.04Å; E128-R130 IonicContact OE2-NH2 2.75Å; E128-R130 PolarHBondContact OE2-NH2 2.82Å
129R61.5Low71.9Confident178 Ų17876.3 Ų76.367%0.67236%0.361SS*.  trans-77.160.4179-69.8168.2178.7-1680.7111.5G127 Y131 A139 F140G127-R129 PolarHBondContact O-N 3.15Å; R129-Y131 PolarHBondContact O-N 2.99Å; R129-A139 HydrophobicContact CB-CB 3.48Å; R129-A139 VanDerWaalsContact CB-CB 3.48Å; R129-A139 VanDerWaalsContact CD-O 3.23Å; R129-A139 WeakPolarHBondContact CD-O 3.34Å; R129-A139 HydrophobicContact CG-CB 4.33Å; R129-A139 WeakPolarHBondContact CG-O 3.34Å; R129-F140 CarbonylContact C-O 3.6Å; R129-F140 WeakPolarHBondContact CA-O 3.38Å
130R65.7Low71.9Confident138 Ų13874.7 Ų74.752%0.52135%0.348SS..  trans-61.2-10.3-172.3-62.5-176.6-179.4-1740115.6E128 F140E128-R130 HydrophobicContact CB-CG 3.98Å; E128-R130 PolarHBondContact O-N 2.87Å; E128-R130 IonicContact OE2-CZ 3.13Å; E128-R130 IonicContact OE2-NE 2.89Å; E128-R130 PolarHBondContact OE2-NE 3.04Å; E128-R130 IonicContact OE2-NH2 2.75Å; E128-R130 PolarHBondContact OE2-NH2 2.82Å; R130-F140 PolarHBondContact N-O 2.85Å
131Y69.7Low71.7Confident45 Ų4570.3 Ų70.318%0.17633%0.332CS..EExtended strand (participates in β ladder)trans-117.893.3-174.9-62.3-81.7000111.2R129 F140 T142 Y143 Y181 R182R129-Y131 PolarHBondContact O-N 2.99Å; Y131-F140 WeakPolarHBondContact CB-O 3.43Å; Y131-F140 PolarHBondContact N-O 3.34Å; Y131-F140 WeakPolarHBondContact O-CD2 3.43Å; Y131-F140 PolarHBondContact O-N 3.43Å; Y131-T142 VanDerWaalsContact CD2-C 3.46Å; Y131-Y143 HydrophobicContact CD1-CD2 4.22Å; Y131-Y143 HydrophobicContact CE1-CD2 4.41Å; Y131-Y181 WeakPolarHBondContact CD1-O 3.48Å; Y131-Y181 VanDerWaalsContact CE1-O 3.25Å; Y131-Y181 WeakPolarHBondContact CE1-O 3.36Å; Y131-R182 HydrophobicContact CE1-CG 4.39Å
132Q76.8Confident71.5Confident60 Ų6070.1 Ų70.128%0.2833%0.334SS..EExtended strand (participates in β ladder)trans-87.4143.8179.7-160.516826.900112.8W137 D138 A139Q132-W137 WeakPolarHBondContact CG-O 3.33Å; Q132-W137 PolarHBondContact NE2-O 3.18Å; Q132-D138 CarbonylContact C-O 3.5Å; Q132-D138 WeakPolarHBondContact CA-O 3.36Å; Q132-A139 HydrophobicContact CG-CB 4.42Å
133C79.6Confident71.6Confident0 Ų072.7 Ų72.70%034%0.343CS..  trans-84.8127.2171.1-171.10000110.7F135 W137 D138 F140 L146 H149C133-F135 PolarHBondContact O-N 3.44Å; C133-W137 WeakPolarHBondContact O-CA 3.45Å; C133-W137 PolarHBondContact O-N 2.94Å; C133-D138 PolarHBondContact N-O 3.26Å; C133-F140 HydrophobicContact CB-CE2 4.34Å; C133-L146 HydrophobicContact CB-CD1 3.59Å; C133-H149 WeakPolarHBondContact CB-NE2 3.48Å; C133-H149 PolarHBondContact SG-NE2 3.22Å
134I77.1Confident71.8Confident80 Ų8079.8 Ų79.841%0.4137%0.369SS..THydrogen-bonded Turntrans-69.8-19.4-177.6-59.5168000112.2Y181I134-Y181 HydrophobicContact CD1-CE1 3.75Å; I134-Y181 HydrophobicContact CG1-CE1 4.01Å
135F73.1Confident72.4Confident93 Ų9375.3 Ų75.341%0.40836%0.356SS..THydrogen-bonded Turntrans-96.4-23.3-172.6-58.7-64.6000115.1C133 H154 I156 I161C133-F135 PolarHBondContact O-N 3.44Å; F135-H154 VanDerWaalsContact CB-CE1 3.49Å; F135-H154 WeakPolarHBondContact CB-CE1 3.46Å; F135-H154 HydrophobicContact CD2-CB 4.34Å; F135-I156 HydrophobicContact CD2-CD1 4.15Å; F135-I156 HydrophobicContact CE1-CD1 4.03Å; F135-I156 HydrophobicContact CE2-CB 4.48Å; F135-I156 HydrophobicContact CE2-CD1 3.55Å; F135-I156 HydrophobicContact CE2-CG2 4.39Å; F135-I156 HydrophobicContact CZ-CD1 3.49Å; F135-I156 VanDerWaalsContact CZ-CD1 3.49Å; F135-I161 HydrophobicContact CE2-CD1 3.72Å; F135-I161 HydrophobicContact CE2-CG1 4.32Å; F135-I161 HydrophobicContact CZ-CD1 4.25Å; F135-I161 HydrophobicContact CZ-CG1 4.41Å
136C78.9Confident73.3Confident47 Ų4771.8 Ų71.832%0.31834%0.339SS..THydrogen-bonded Turntrans-136.9-0.4-179.861.70000113.5D138 H149 H154C136-D138 PolarHBondContact O-N 2.91Å; C136-H149 PolarHBondContact SG-CE1 2.96Å; C136-H149 PolarHBondContact SG-NE2 3.39Å; C136-H154 PolarHBondContact SG-NE2 3.06Å; C136-H154 VanDerWaalsContact SG-NE2 3.38Å
137W76.4Confident74Confident178 Ų17874 Ų7467%0.67434%0.344SS*.  trans62.56.3-179.1-53.684.9000115.6Q132 C133 A139Q132-W137 WeakPolarHBondContact CG-O 3.33Å; Q132-W137 PolarHBondContact NE2-O 3.18Å; C133-W137 WeakPolarHBondContact O-CA 3.45Å; C133-W137 PolarHBondContact O-N 2.94Å; W137-A139 PolarHBondContact O-N 3.44Å
138D77Confident75.2Confident81 Ų8174.5 Ų74.543%0.43334%0.339SS..  trans-56.2134.3168.9-85.9-39.3000111.3Q132 C133 C136 F140 H149Q132-D138 CarbonylContact C-O 3.5Å; Q132-D138 WeakPolarHBondContact CA-O 3.36Å; C133-D138 PolarHBondContact N-O 3.26Å; C136-D138 PolarHBondContact O-N 2.91Å; D138-F140 HydrophobicContact CB-CE2 3.52Å; D138-F140 HydrophobicContact CB-CZ 3.61Å; D138-F140 WeakPolarHBondContact O-CE2 3.24Å; D138-H149 IonicContact OD2-CE1 3.78Å; D138-H149 PolarHBondContact OD2-CE1 2.98Å; D138-H149 VanDerWaalsContact OD2-CE1 3.25Å; D138-H149 IonicContact OD2-ND1 3.61Å
139A80Confident76.3Confident30 Ų3070.9 Ų70.925%0.24832%0.322CS..EExtended strand (participates in β ladder)trans-112.6130.2-175.600000111.3R129 Q132 W137R129-A139 HydrophobicContact CB-CB 3.48Å; R129-A139 VanDerWaalsContact CB-CB 3.48Å; R129-A139 VanDerWaalsContact CD-O 3.23Å; R129-A139 WeakPolarHBondContact CD-O 3.34Å; R129-A139 HydrophobicContact CG-CB 4.33Å; R129-A139 WeakPolarHBondContact CG-O 3.34Å; Q132-A139 HydrophobicContact CG-CB 4.42Å; W137-A139 PolarHBondContact O-N 3.44Å
140F75.6Confident77.2Confident42 Ų4262.4 Ų62.418%0.18429%0.29CS..EExtended strand (participates in β ladder)trans-118.8143.8-173.6-59.9-83.7000112.5R129 R130 Y131 C133 D138 T142 N145 L146 H149R129-F140 CarbonylContact C-O 3.6Å; R129-F140 WeakPolarHBondContact CA-O 3.38Å; R130-F140 PolarHBondContact N-O 2.85Å; Y131-F140 WeakPolarHBondContact CB-O 3.43Å; Y131-F140 PolarHBondContact N-O 3.34Å; Y131-F140 WeakPolarHBondContact O-CD2 3.43Å; Y131-F140 PolarHBondContact O-N 3.43Å; C133-F140 HydrophobicContact CB-CE2 4.34Å; D138-F140 HydrophobicContact CB-CE2 3.52Å; D138-F140 HydrophobicContact CB-CZ 3.61Å; D138-F140 WeakPolarHBondContact O-CE2 3.24Å; F140-T142 VanDerWaalsContact C-N 3.27Å; F140-T142 PolarHBondContact O-N 2.91Å; F140-N145 HydrophobicContact CB-CB 4.2Å; F140-N145 HydrophobicContact CD1-CB 3.95Å; F140-N145 HydrophobicContact CG-CB 4.33Å; F140-L146 HydrophobicContact CB-CB 4.24Å; F140-L146 HydrophobicContact CD2-CB 3.9Å; F140-L146 HydrophobicContact CD2-CD1 3.84Å; F140-L146 HydrophobicContact CD2-CG 4.48Å; F140-L146 HydrophobicContact CE2-CD1 4.1Å; F140-L146 HydrophobicContact CG-CB 4.24Å; F140-H149 HydrophobicContact CE1-CB 4.09Å; F140-H149 HydrophobicContact CE2-CB 4.09Å; F140-H149 AromaticContact CE2-CD2 3.53Å; F140-H149 AromaticContact CE2-CG 3.63Å; F140-H149 AromaticContact CE2-NE2 3.88Å; F140-H149 HydrophobicContact CZ-CB 3.65Å; F140-H149 AromaticContact CZ-CD2 3.71Å; F140-H149 AromaticContact CZ-CE1 3.82Å; F140-H149 AromaticContact CZ-CG 3.31Å; F140-H149 AromaticContact CZ-ND1 3.4Å; F140-H149 WeakPolarHBondContact CZ-ND1 3.46Å
141A70.6Confident78.1Confident21 Ų2161.8 Ų61.817%0.17429%0.291CS..SBendtrans-70.8-19.3175.100000113.5V123V123-A141 WeakPolarHBondContact CG1-O 3.42Å
142T74.9Confident78.6Confident29 Ų2965 Ų6518%0.17832%0.315CS..SBendtrans-137.5147.5177.380.10000113.3W124 Y131 F140 Y144 N145 L146W124-T142 HydrophobicContact CH2-CG2 4.33Å; W124-T142 HydrophobicContact CZ2-CG2 3.53Å; Y131-T142 VanDerWaalsContact CD2-C 3.46Å; F140-T142 VanDerWaalsContact C-N 3.27Å; F140-T142 PolarHBondContact O-N 2.91Å; T142-Y144 PolarHBondContact O-N 3.24Å; T142-N145 PolarHBondContact O-N 2.91Å; T142-N145 PolarHBondContact OG1-N 3.01Å; T142-N145 PolarHBondContact OG1-OD1 3.48Å; T142-L146 PolarHBondContact O-N 3.38Å; T142-L146 VanDerWaalsContact O-N 3.16Å
143Y76.7Confident78.8Confident76 Ų7667.4 Ų67.430%0.29833%0.329SS..Hα-helixtrans-59.3-30172.7179.1-103000113.2Y131 K147 L178 Y181Y131-Y143 HydrophobicContact CD1-CD2 4.22Å; Y131-Y143 HydrophobicContact CE1-CD2 4.41Å; Y143-K147 HydrophobicContact CE1-CD 4.27Å; Y143-K147 VanDerWaalsContact O-CB 3.26Å; Y143-K147 WeakPolarHBondContact O-CB 3.38Å; Y143-K147 PolarHBondContact O-N 2.88Å; Y143-L178 HydrophobicContact CD2-CD2 4.33Å; Y143-L178 HydrophobicContact CE2-CD2 3.96Å; Y143-Y181 HydrophobicContact CE2-CD2 4.28Å
144Y78.8Confident78.5Confident170 Ų17070.2 Ų70.267%0.66734%0.342SS*.Hα-helixtrans-64.3-47.8175.9-179.2-91.6000110.7T142 L146 K147 T148T142-Y144 PolarHBondContact O-N 3.24Å; Y144-L146 PolarHBondContact O-N 3.24Å; Y144-K147 PolarHBondContact O-N 2.93Å; Y144-T148 HydrophobicContact CD1-CG2 4.29Å; Y144-T148 HydrophobicContact CE1-CG2 3.78Å; Y144-T148 PolarHBondContact O-N 3.37Å; Y144-T148 PolarHBondContact O-OG1 3.39Å
145N79.9Confident78.3Confident53 Ų5369 Ų6928%0.28335%0.349SS..Hα-helixtrans-63-44179.8-62.85.1000111.1F140 T142 K147 T148 H149F140-N145 HydrophobicContact CB-CB 4.2Å; F140-N145 HydrophobicContact CD1-CB 3.95Å; F140-N145 HydrophobicContact CG-CB 4.33Å; T142-N145 PolarHBondContact O-N 2.91Å; T142-N145 PolarHBondContact OG1-N 3.01Å; T142-N145 PolarHBondContact OG1-OD1 3.48Å; N145-K147 PolarHBondContact O-N 3.21Å; N145-T148 WeakPolarHBondContact CA-OG1 3.37Å; N145-T148 PolarHBondContact O-N 3.3Å; N145-T148 PolarHBondContact O-OG1 3.03Å; N145-H149 VanDerWaalsContact O-CB 3.29Å; N145-H149 WeakPolarHBondContact O-CB 3.21Å; N145-H149 PolarHBondContact O-N 3.36Å
146L82.8Confident78.1Confident0 Ų067.1 Ų67.10%034%0.343CS..Hα-helixtrans-57.1-48.2172.4171.862.7000111.4C133 F140 T142 Y144 T148 H149 Q150 Y181C133-L146 HydrophobicContact CB-CD1 3.59Å; F140-L146 HydrophobicContact CB-CB 4.24Å; F140-L146 HydrophobicContact CD2-CB 3.9Å; F140-L146 HydrophobicContact CD2-CD1 3.84Å; F140-L146 HydrophobicContact CD2-CG 4.48Å; F140-L146 HydrophobicContact CE2-CD1 4.1Å; F140-L146 HydrophobicContact CG-CB 4.24Å; T142-L146 PolarHBondContact O-N 3.38Å; T142-L146 VanDerWaalsContact O-N 3.16Å; Y144-L146 PolarHBondContact O-N 3.24Å; L146-T148 PolarHBondContact O-N 2.84Å; L146-H149 PolarHBondContact O-N 3.18Å; L146-Q150 HydrophobicContact CD1-CG 3.94Å; L146-Q150 HydrophobicContact CG-CG 4.44Å; L146-Q150 WeakPolarHBondContact O-CB 3.44Å; L146-Q150 WeakPolarHBondContact O-CG 3.45Å; L146-Q150 PolarHBondContact O-N 3.35Å; L146-Y181 HydrophobicContact CD2-CD1 3.59Å; L146-Y181 HydrophobicContact CD2-CE1 3.9Å; L146-Y181 HydrophobicContact CD2-CG 4.1Å
147K81.1Confident77.6Confident102 Ų10267.8 Ų67.844%0.44334%0.343SS..Hα-helixtrans-63.7-38.4180169.7166.5-179.1179.50112.8Y143 Y144 N145 K151 P158Y143-K147 HydrophobicContact CE1-CD 4.27Å; Y143-K147 VanDerWaalsContact O-CB 3.26Å; Y143-K147 WeakPolarHBondContact O-CB 3.38Å; Y143-K147 PolarHBondContact O-N 2.88Å; Y144-K147 PolarHBondContact O-N 2.93Å; N145-K147 PolarHBondContact O-N 3.21Å; K147-K151 PolarHBondContact O-N 3.47Å; K147-P158 HydrophobicContact CB-CG 4.11Å; K147-P158 HydrophobicContact CD-CG 3.96Å; K147-P158 HydrophobicContact CG-CG 3.66Å
148T82.9Confident76.9Confident55 Ų5559.8 Ų59.834%0.33731%0.314SS..Hα-helixtrans-66.4-47.5173.544.60000110.7Y144 N145 L146 Q150 K151 T152Y144-T148 HydrophobicContact CD1-CG2 4.29Å; Y144-T148 HydrophobicContact CE1-CG2 3.78Å; Y144-T148 PolarHBondContact O-N 3.37Å; Y144-T148 PolarHBondContact O-OG1 3.39Å; N145-T148 WeakPolarHBondContact CA-OG1 3.37Å; N145-T148 PolarHBondContact O-N 3.3Å; N145-T148 PolarHBondContact O-OG1 3.03Å; L146-T148 PolarHBondContact O-N 2.84Å; T148-Q150 PolarHBondContact O-N 2.95Å; T148-K151 PolarHBondContact O-N 2.79Å; T148-K151 VanDerWaalsContact O-N 3.12Å; T148-T152 WeakPolarHBondContact O-CG2 3.2Å; T148-T152 PolarHBondContact O-N 2.84Å; T148-T152 PolarHBondContact O-OG1 3.45Å; T148-T152 VanDerWaalsContact O-OG1 3.07Å
149H83.3Confident75.9Confident11 Ų1159.2 Ų59.25%0.05132%0.316CS..Hα-helixtrans-58.6-46.4178.615694.3000112.4C133 C136 D138 F140 N145 L146 K151 T152 I153 H154C133-H149 WeakPolarHBondContact CB-NE2 3.48Å; C133-H149 PolarHBondContact SG-NE2 3.22Å; C136-H149 PolarHBondContact SG-CE1 2.96Å; C136-H149 PolarHBondContact SG-NE2 3.39Å; D138-H149 IonicContact OD2-CE1 3.78Å; D138-H149 PolarHBondContact OD2-CE1 2.98Å; D138-H149 VanDerWaalsContact OD2-CE1 3.25Å; D138-H149 IonicContact OD2-ND1 3.61Å; F140-H149 HydrophobicContact CE1-CB 4.09Å; F140-H149 HydrophobicContact CE2-CB 4.09Å; F140-H149 AromaticContact CE2-CD2 3.53Å; F140-H149 AromaticContact CE2-CG 3.63Å; F140-H149 AromaticContact CE2-NE2 3.88Å; F140-H149 HydrophobicContact CZ-CB 3.65Å; F140-H149 AromaticContact CZ-CD2 3.71Å; F140-H149 AromaticContact CZ-CE1 3.82Å; F140-H149 AromaticContact CZ-CG 3.31Å; F140-H149 AromaticContact CZ-ND1 3.4Å; F140-H149 WeakPolarHBondContact CZ-ND1 3.46Å; N145-H149 VanDerWaalsContact O-CB 3.29Å; N145-H149 WeakPolarHBondContact O-CB 3.21Å; N145-H149 PolarHBondContact O-N 3.36Å; L146-H149 PolarHBondContact O-N 3.18Å; H149-K151 VanDerWaalsContact C-N 3.27Å; H149-K151 PolarHBondContact O-N 3.25Å; H149-T152 PolarHBondContact O-N 3.23Å; H149-T152 PolarHBondContact O-OG1 3.34Å; H149-I153 WeakPolarHBondContact ND1-CD1 3.28Å; H149-I153 WeakPolarHBondContact O-CB 3.26Å; H149-I153 PolarHBondContact O-N 2.58Å; H149-H154 AromaticContact CE1-NE2 3.97Å; H149-H154 AromaticContact NE2-CD2 3.83Å; H149-H154 AromaticContact NE2-NE2 3.56Å
150Q80.7Confident74.7Confident0 Ų062.1 Ų62.10%033%0.328CS..Hα-helixtrans-58.2-39.9175.7-76.4176.7-31.900112L146 T148 H154 G155 I156 Y181L146-Q150 HydrophobicContact CD1-CG 3.94Å; L146-Q150 HydrophobicContact CG-CG 4.44Å; L146-Q150 WeakPolarHBondContact O-CB 3.44Å; L146-Q150 WeakPolarHBondContact O-CG 3.45Å; L146-Q150 PolarHBondContact O-N 3.35Å; T148-Q150 PolarHBondContact O-N 2.95Å; Q150-H154 CarbonylContact O-C 3.54Å; Q150-H154 WeakPolarHBondContact O-CB 3.38Å; Q150-H154 PolarHBondContact O-N 2.86Å; Q150-G155 PolarHBondContact O-N 2.94Å; Q150-I156 CarbonylContact C-O 3.31Å; Q150-I156 VanDerWaalsContact C-O 3.31Å; Q150-I156 PolarHBondContact O-N 3.49Å; Q150-I156 VanDerWaalsContact O-N 3.11Å; Q150-Y181 PolarHBondContact NE2-OH 3.46Å; Q150-Y181 VanDerWaalsContact NE2-OH 3.08Å
151K84.1Confident73.7Confident125 Ų12562.6 Ų62.654%0.54333%0.331SS..Hα-helixtrans-72.8-35.9177.2-169-179.2179.7-174.50113K147 T148 H149 G155 I156 N157K147-K151 PolarHBondContact O-N 3.47Å; T148-K151 PolarHBondContact O-N 2.79Å; T148-K151 VanDerWaalsContact O-N 3.12Å; H149-K151 VanDerWaalsContact C-N 3.27Å; H149-K151 PolarHBondContact O-N 3.25Å; K151-G155 VanDerWaalsContact O-CA 3.3Å; K151-G155 WeakPolarHBondContact O-CA 3.38Å; K151-G155 PolarHBondContact O-N 3.32Å; K151-I156 PolarHBondContact N-O 3.04Å; K151-N157 WeakPolarHBondContact CD-OD1 3.32Å; K151-N157 WeakPolarHBondContact CE-OD1 3.4Å
152T81.3Confident72.8Confident112 Ų11263.2 Ų63.269%0.68733%0.334SS*.Hα-helixtrans-90.5-33.5-173.955.60000114.4T148 H149T148-T152 WeakPolarHBondContact O-CG2 3.2Å; T148-T152 PolarHBondContact O-N 2.84Å; T148-T152 PolarHBondContact O-OG1 3.45Å; T148-T152 VanDerWaalsContact O-OG1 3.07Å; H149-T152 PolarHBondContact O-N 3.23Å; H149-T152 PolarHBondContact O-OG1 3.34Å
153I79.4Confident71.7Confident111 Ų11162.8 Ų62.857%0.56933%0.333SS*.Hα-helixtrans-96.2-41-177.5-56.2-158.4000111.1H149H149-I153 WeakPolarHBondContact ND1-CD1 3.28Å; H149-I153 WeakPolarHBondContact O-CB 3.26Å; H149-I153 PolarHBondContact O-N 2.58Å
154H73.9Confident70.6Confident58 Ų5864 Ų6427%0.26934%0.341SS..SBendtrans-102-5.2-178.7-56.5-67.2000113.7F135 C136 H149 Q150 I156F135-H154 VanDerWaalsContact CB-CE1 3.49Å; F135-H154 WeakPolarHBondContact CB-CE1 3.46Å; F135-H154 HydrophobicContact CD2-CB 4.34Å; C136-H154 PolarHBondContact SG-NE2 3.06Å; C136-H154 VanDerWaalsContact SG-NE2 3.38Å; H149-H154 AromaticContact CE1-NE2 3.97Å; H149-H154 AromaticContact NE2-CD2 3.83Å; H149-H154 AromaticContact NE2-NE2 3.56Å; Q150-H154 CarbonylContact O-C 3.54Å; Q150-H154 WeakPolarHBondContact O-CB 3.38Å; Q150-H154 PolarHBondContact O-N 2.86Å; H154-I156 HydrophobicContact CB-CD1 4.23Å; H154-I156 HydrophobicContact CB-CG1 4.45Å; H154-I156 WeakPolarHBondContact O-CG1 3.11Å; H154-I156 PolarHBondContact O-N 2.98Å
155G73.8Confident69.1Low55 Ų5563 Ų6357%0.56734%0.34SS*.  trans68.9-7.9-173.900000114.9Q150 K151Q150-G155 PolarHBondContact O-N 2.94Å; K151-G155 VanDerWaalsContact O-CA 3.3Å; K151-G155 WeakPolarHBondContact O-CA 3.38Å; K151-G155 PolarHBondContact O-N 3.32Å
156I69.1Low67.7Low53 Ų5362.5 Ų62.527%0.27234%0.339SS..  trans-86.2119.1-169.7-65.8163.6000110.3F135 Q150 K151 H154 P158 I161F135-I156 HydrophobicContact CD2-CD1 4.15Å; F135-I156 HydrophobicContact CE1-CD1 4.03Å; F135-I156 HydrophobicContact CE2-CB 4.48Å; F135-I156 HydrophobicContact CE2-CD1 3.55Å; F135-I156 HydrophobicContact CE2-CG2 4.39Å; F135-I156 HydrophobicContact CZ-CD1 3.49Å; F135-I156 VanDerWaalsContact CZ-CD1 3.49Å; Q150-I156 CarbonylContact C-O 3.31Å; Q150-I156 VanDerWaalsContact C-O 3.31Å; Q150-I156 PolarHBondContact O-N 3.49Å; Q150-I156 VanDerWaalsContact O-N 3.11Å; K151-I156 PolarHBondContact N-O 3.04Å; H154-I156 HydrophobicContact CB-CD1 4.23Å; H154-I156 HydrophobicContact CB-CG1 4.45Å; H154-I156 WeakPolarHBondContact O-CG1 3.11Å; H154-I156 PolarHBondContact O-N 2.98Å; I156-P158 WeakPolarHBondContact O-CD 3.32Å; I156-I161 HydrophobicContact CG2-CD1 3.73Å; I156-I161 HydrophobicContact CG2-CG1 3.42Å; I156-I161 VanDerWaalsContact CG2-CG1 3.42Å
157N66.7Low66.2Low61 Ų6167.6 Ų67.633%0.32638%0.381SS..  trans-73.2124.3166.6-65.5-78.2000109K151 S159 L160K151-N157 WeakPolarHBondContact CD-OD1 3.32Å; K151-N157 WeakPolarHBondContact CE-OD1 3.4Å; N157-S159 PolarHBondContact O-N 2.71Å; N157-L160 WeakPolarHBondContact O-CB 3.41Å; N157-L160 PolarHBondContact O-N 2.64Å
158P61.4Low64.4Low10 Ų1070.1 Ų70.17%0.06540%0.399CS..Hα-helixtrans-63.3-9-176.516.9-28.3000115.7K147 I156 L160 I161 S162K147-P158 HydrophobicContact CB-CG 4.11Å; K147-P158 HydrophobicContact CD-CG 3.96Å; K147-P158 HydrophobicContact CG-CG 3.66Å; I156-P158 WeakPolarHBondContact O-CD 3.32Å; P158-L160 PolarHBondContact O-N 3.07Å; P158-I161 HydrophobicContact CB-CD1 4.17Å; P158-S162 PolarHBondContact O-N 3.27Å; P158-S162 PolarHBondContact O-OG 3Å
159S57.6Low62.8Low69 Ų6970.5 Ų70.548%0.48342%0.415SS..Hα-helixtrans-65.8-23.6167.246.80000113.7N157 S162N157-S159 PolarHBondContact O-N 2.71Å; S159-S162 WeakPolarHBondContact CA-OG 3.18Å; S159-S162 PolarHBondContact O-OG 3.45Å
160L54.1Low60.7Low92 Ų9271.6 Ų71.648%0.48243%0.428SS..Hα-helixtrans-83.5-37.5175.8-59.1175.2000111.4N157 P158 S162 S163N157-L160 WeakPolarHBondContact O-CB 3.41Å; N157-L160 PolarHBondContact O-N 2.64Å; P158-L160 PolarHBondContact O-N 3.07Å; L160-S162 PolarHBondContact O-N 3.13Å; L160-S163 PolarHBondContact O-N 3.36Å; L160-S163 VanDerWaalsContact O-O 3.05Å; L160-S163 PolarHBondContact O-OG 3.16Å
161I53.8Low59.2Low52 Ų5278 Ų7827%0.26745%0.454SS..Hα-helixtrans-61.2-34.1176.1-48.9171.5000110.9F135 I156 P158 S163 Y181F135-I161 HydrophobicContact CE2-CD1 3.72Å; F135-I161 HydrophobicContact CE2-CG1 4.32Å; F135-I161 HydrophobicContact CZ-CD1 4.25Å; F135-I161 HydrophobicContact CZ-CG1 4.41Å; I156-I161 HydrophobicContact CG2-CD1 3.73Å; I156-I161 HydrophobicContact CG2-CG1 3.42Å; I156-I161 VanDerWaalsContact CG2-CG1 3.42Å; P158-I161 HydrophobicContact CB-CD1 4.17Å; I161-S163 PolarHBondContact O-N 3.29Å; I161-Y181 WeakPolarHBondContact CD1-OH 3.35Å
162S53.4Low57.4Low33 Ų3378.7 Ų78.723%0.23146%0.457CS..THydrogen-bonded Turntrans-71.7-0.7175.149.30000115.1P158 S159 L160 Q173 K174P158-S162 PolarHBondContact O-N 3.27Å; P158-S162 PolarHBondContact O-OG 3Å; S159-S162 WeakPolarHBondContact CA-OG 3.18Å; S159-S162 PolarHBondContact O-OG 3.45Å; L160-S162 PolarHBondContact O-N 3.13Å; S162-Q173 WeakPolarHBondContact O-CA 3.28Å; S162-K174 PolarHBondContact O-N 3.35Å
163S51.8Low55.7Low21 Ų2181.8 Ų81.815%0.14746%0.463CS..EExtended strand (participates in β ladder)trans-132.6114.3-176.155.90000113L160 I161 K172L160-S163 PolarHBondContact O-N 3.36Å; L160-S163 VanDerWaalsContact O-O 3.05Å; L160-S163 PolarHBondContact O-OG 3.16Å; I161-S163 PolarHBondContact O-N 3.29Å; S163-K172 WeakPolarHBondContact CA-O 3.1Å
164E52.5Low54.3Low102 Ų10282.1 Ų82.148%0.47746%0.46SS..EExtended strand (participates in β ladder)trans-79.9138.8173.3-173.8167.2-87.300110.2T166 Y171 K172 K174E164-T166 PolarHBondContact O-N 2.97Å; E164-Y171 WeakPolarHBondContact O-CA 3.36Å; E164-K172 PolarHBondContact N-O 3.13Å; E164-K172 PolarHBondContact O-N 3.43Å; E164-K174 HydrophobicContact CB-CD 4.43Å; E164-K174 WeakPolarHBondContact OE1-CE 3.46Å; E164-K174 IonicContact OE1-NZ 3.08Å; E164-K174 PolarHBondContact OE1-NZ 2.69Å; E164-K174 WeakPolarHBondContact OE2-CE 3.39Å; E164-K174 IonicContact OE2-NZ 2.58Å; E164-K174 PolarHBondContact OE2-NZ 2.8Å
165K47.1Very low52.9Low149 Ų14983.3 Ų83.365%0.64848%0.481SS*.EExtended strand (participates in β ladder)trans-73.1117.8168.9-73.5-177.3175.8-179.10108.4Y171K165-Y171 HydrophobicContact CD-CE1 4.3Å; K165-Y171 WeakPolarHBondContact CE-OH 3.31Å; K165-Y171 HydrophobicContact CG-CD1 3.94Å; K165-Y171 HydrophobicContact CG-CE1 3.5Å; K165-Y171 VanDerWaalsContact CG-CE1 3.5Å
166T51.9Low51.7Low41 Ų4184.9 Ų84.925%0.25248%0.476SS..PPolyproline II helixtrans-79.2155.1164.356.60000109.8E164 N168 G169 G170 K172E164-T166 PolarHBondContact O-N 2.97Å; T166-N168 PolarHBondContact O-N 3.42Å; T166-G169 PolarHBondContact O-N 2.77Å; T166-G169 VanDerWaalsContact O-N 3.1Å; T166-G170 PolarHBondContact N-O 3.45Å; T166-G170 PolarHBondContact OG1-O 3.23Å; T166-K172 HydrophobicContact CG2-CB 4.5Å; T166-K172 HydrophobicContact CG2-CD 3.74Å; T166-K172 HydrophobicContact CG2-CG 3.97Å
167A50Low50.8Low107 Ų10783.4 Ų83.488%0.88447%0.472SS*.THydrogen-bonded Turntrans-53.8-27.2-178.600000113.3G169A167-G169 PolarHBondContact O-N 3.32Å
168N44.8Very low50Low155 Ų15585.3 Ų85.383%0.82948%0.482SS*.THydrogen-bonded Turntrans-87.229.6-178.9-53.918.2000112.5T166 G170T166-N168 PolarHBondContact O-N 3.42Å; N168-G170 PolarHBondContact O-N 3.08Å
169G48.2Very low49.4Very low64 Ų6490.3 Ų90.366%0.6650%0.502SS*.SBendtrans69.7-9.717800000116.7T166 A167T166-G169 PolarHBondContact O-N 2.77Å; T166-G169 VanDerWaalsContact O-N 3.1Å; A167-G169 PolarHBondContact O-N 3.32Å
170G40.1Very low48.9Very low33 Ų3393.1 Ų93.134%0.3451%0.511SS..  trans-85.1127.3-175.500000114T166 N168 K172T166-G170 PolarHBondContact N-O 3.45Å; T166-G170 PolarHBondContact OG1-O 3.23Å; N168-G170 PolarHBondContact O-N 3.08Å; G170-K172 PolarHBondContact O-N 3.32Å
171Y47.9Very low48.7Very low135 Ų13589.1 Ų89.153%0.52949%0.49SS..EExtended strand (participates in β ladder)trans-78112.4171-72.2-82.2000111.4E164 K165E164-Y171 WeakPolarHBondContact O-CA 3.36Å; K165-Y171 HydrophobicContact CD-CE1 4.3Å; K165-Y171 WeakPolarHBondContact CE-OH 3.31Å; K165-Y171 HydrophobicContact CG-CD1 3.94Å; K165-Y171 HydrophobicContact CG-CE1 3.5Å; K165-Y171 VanDerWaalsContact CG-CE1 3.5Å
172K47.4Very low48.4Very low140 Ų14095 Ų9561%0.60951%0.508SS*.EExtended strand (participates in β ladder)trans-99.5128.3175-69.5-173.1-176.7174.50110.9S163 E164 T166 G170 K174S163-K172 WeakPolarHBondContact CA-O 3.1Å; E164-K172 PolarHBondContact N-O 3.13Å; E164-K172 PolarHBondContact O-N 3.43Å; T166-K172 HydrophobicContact CG2-CB 4.5Å; T166-K172 HydrophobicContact CG2-CD 3.74Å; T166-K172 HydrophobicContact CG2-CG 3.97Å; G170-K172 PolarHBondContact O-N 3.32Å; K172-K174 PolarHBondContact O-N 2.85Å
173Q45.6Very low47.9Very low177 Ų17798.9 Ų98.983%0.82753%0.526SS*.EExtended strand (participates in β ladder)trans-68.7114175.6-69.5-174.29.500110.6S162 A175S162-Q173 WeakPolarHBondContact O-CA 3.28Å; Q173-A175 PolarHBondContact O-N 3.29Å
174K48.3Very low47.2Very low117 Ų117103 Ų10351%0.50955%0.546SS..  trans-81.7112.7167.8-81.7-174.8174.8175.60108.8S162 E164 K172S162-K174 PolarHBondContact O-N 3.35Å; E164-K174 HydrophobicContact CB-CD 4.43Å; E164-K174 WeakPolarHBondContact OE1-CE 3.46Å; E164-K174 IonicContact OE1-NZ 3.08Å; E164-K174 PolarHBondContact OE1-NZ 2.69Å; E164-K174 WeakPolarHBondContact OE2-CE 3.39Å; E164-K174 IonicContact OE2-NZ 2.58Å; E164-K174 PolarHBondContact OE2-NZ 2.8Å; K172-K174 PolarHBondContact O-N 2.85Å
175A46.5Very low46.4Very low84 Ų84103.7 Ų103.769%0.69456%0.559SS**THydrogen-bonded Turntrans-56.5148.4165.500000109.7Q173Q173-A175 PolarHBondContact O-N 3.29Å
176N47Very low45.6Very low88 Ų88104.4 Ų104.447%0.47157%0.567SS.*THydrogen-bonded Turntrans86.78177.8-53.1-53.4000119.2L178 K179 L180N176-L178 PolarHBondContact O-N 2.83Å; N176-K179 HydrophobicContact CB-CB 3.99Å; N176-K179 HydrophobicContact CB-CD 4.05Å; N176-K179 HydrophobicContact CB-CG 4.05Å; N176-K179 WeakPolarHBondContact O-CA 3.45Å; N176-K179 WeakPolarHBondContact O-CB 3.45Å; N176-K179 PolarHBondContact O-N 3.4Å; N176-K179 WeakPolarHBondContact OD1-CD 3.42Å; N176-K179 WeakPolarHBondContact OD1-CE 3.25Å; N176-K179 WeakPolarHBondContact OD1-CG 3.38Å; N176-L180 PolarHBondContact O-N 3.36Å; N176-L180 VanDerWaalsContact O-N 3.13Å
177A50.9Low44.7Very low22 Ų22113.5 Ų113.518%0.18260%0.597CS.*Hα-helixtrans-53.9-39160.200000111.6K179 L180 Y181A177-K179 VanDerWaalsContact C-N 3.26Å; A177-K179 PolarHBondContact O-N 2.87Å; A177-L180 PolarHBondContact O-N 2.89Å; A177-Y181 WeakPolarHBondContact O-CD2 3.43Å; A177-Y181 PolarHBondContact O-N 3.01Å; A177-Y181 VanDerWaalsContact O-N 3.12Å
178L50.8Low44.1Very low101 Ų101113.8 Ų113.853%0.52959%0.592SS.*Hα-helixtrans-70.5-9.4172.3-80167.7000115.3Y143 N176 R182Y143-L178 HydrophobicContact CD2-CD2 4.33Å; Y143-L178 HydrophobicContact CE2-CD2 3.96Å; N176-L178 PolarHBondContact O-N 2.83Å; L178-R182 WeakPolarHBondContact O-CB 3.34Å; L178-R182 WeakPolarHBondContact O-CD 3.35Å; L178-R182 WeakPolarHBondContact O-CG 3.36Å
179K48.6Very low43.5Very low114 Ų114114.9 Ų114.950%0.49659%0.592SS.*Hα-helixtrans-86.2-40.3166.3-74.2-168.5-178179.70110.9N176 A177 Y181 R182 L183N176-K179 HydrophobicContact CB-CB 3.99Å; N176-K179 HydrophobicContact CB-CD 4.05Å; N176-K179 HydrophobicContact CB-CG 4.05Å; N176-K179 WeakPolarHBondContact O-CA 3.45Å; N176-K179 WeakPolarHBondContact O-CB 3.45Å; N176-K179 PolarHBondContact O-N 3.4Å; N176-K179 WeakPolarHBondContact OD1-CD 3.42Å; N176-K179 WeakPolarHBondContact OD1-CE 3.25Å; N176-K179 WeakPolarHBondContact OD1-CG 3.38Å; A177-K179 VanDerWaalsContact C-N 3.26Å; A177-K179 PolarHBondContact O-N 2.87Å; K179-Y181 PolarHBondContact O-N 3.28Å; K179-R182 CarbonylContact O-C 3.6Å; K179-R182 WeakPolarHBondContact O-CA 3.41Å; K179-R182 PolarHBondContact O-N 2.9Å; K179-L183 HydrophobicContact CB-CD1 3.83Å; K179-L183 HydrophobicContact CB-CG 4.16Å; K179-L183 HydrophobicContact CD-CD1 4.1Å; K179-L183 HydrophobicContact CG-CD1 4.32Å; K179-L183 WeakPolarHBondContact O-CB 3.23Å; K179-L183 VanDerWaalsContact O-CG 3.31Å; K179-L183 WeakPolarHBondContact O-CG 3.49Å; K179-L183 PolarHBondContact O-N 3.16Å
180L47.4Very low42.9Very low128 Ų128120.3 Ų120.367%0.6760%0.597SS**Hα-helixtrans-55.9-44172.5-62.2174.6000110.4N176 A177 R182N176-L180 PolarHBondContact O-N 3.36Å; N176-L180 VanDerWaalsContact O-N 3.13Å; A177-L180 PolarHBondContact O-N 2.89Å; L180-R182 PolarHBondContact O-N 2.98Å
181Y48Very low42.6Very low8 Ų8130 Ų1303%0.03162%0.624CS.*THydrogen-bonded Turntrans-73.917.6171.8-57-51.2000115.6Y131 I134 Y143 L146 Q150 I161 A177 K179Y131-Y181 WeakPolarHBondContact CD1-O 3.48Å; Y131-Y181 VanDerWaalsContact CE1-O 3.25Å; Y131-Y181 WeakPolarHBondContact CE1-O 3.36Å; I134-Y181 HydrophobicContact CD1-CE1 3.75Å; I134-Y181 HydrophobicContact CG1-CE1 4.01Å; Y143-Y181 HydrophobicContact CE2-CD2 4.28Å; L146-Y181 HydrophobicContact CD2-CD1 3.59Å; L146-Y181 HydrophobicContact CD2-CE1 3.9Å; L146-Y181 HydrophobicContact CD2-CG 4.1Å; Q150-Y181 PolarHBondContact NE2-OH 3.46Å; Q150-Y181 VanDerWaalsContact NE2-OH 3.08Å; I161-Y181 WeakPolarHBondContact CD1-OH 3.35Å; A177-Y181 WeakPolarHBondContact O-CD2 3.43Å; A177-Y181 PolarHBondContact O-N 3.01Å; A177-Y181 VanDerWaalsContact O-N 3.12Å; K179-Y181 PolarHBondContact O-N 3.28Å
182R48.2Very low42.4Very low175 Ų175128.8 Ų128.866%0.6663%0.632SS**THydrogen-bonded Turntrans-144.3-16.9179.7-83.7-175.2167.8178.7-4.7115.5Y131 L178 K179 L180Y131-R182 HydrophobicContact CE1-CG 4.39Å; L178-R182 WeakPolarHBondContact O-CB 3.34Å; L178-R182 WeakPolarHBondContact O-CD 3.35Å; L178-R182 WeakPolarHBondContact O-CG 3.36Å; K179-R182 CarbonylContact O-C 3.6Å; K179-R182 WeakPolarHBondContact O-CA 3.41Å; K179-R182 PolarHBondContact O-N 2.9Å; L180-R182 PolarHBondContact O-N 2.98Å
183L43.9Very low41.3Very low115 Ų115132.3 Ų132.360%0.60264%0.643SS**  trans-104.436.9-167.2-69.5-174.5000114.8K179 P185K179-L183 HydrophobicContact CB-CD1 3.83Å; K179-L183 HydrophobicContact CB-CG 4.16Å; K179-L183 HydrophobicContact CD-CD1 4.1Å; K179-L183 HydrophobicContact CG-CD1 4.32Å; K179-L183 WeakPolarHBondContact O-CB 3.23Å; K179-L183 VanDerWaalsContact O-CG 3.31Å; K179-L183 WeakPolarHBondContact O-CG 3.49Å; K179-L183 PolarHBondContact O-N 3.16Å; L183-P185 WeakPolarHBondContact O-CD 3.24Å
184L36Very low40.7Very low108 Ų108133.1 Ų133.157%0.56564%0.644SS**  trans-115.877.2161.1-70.5177.7000110.4M186L184-M186 PolarHBondContact O-N 3.24Å
185P35.6Very low39.9Very low117 Ų117132.8 Ų132.876%0.7665%0.652SS**  trans-74.671.3167.433.8-34.1000109.5L183 R187L183-P185 WeakPolarHBondContact O-CD 3.24Å; P185-R187 PolarHBondContact O-N 3.2Å
186M30.7Very low38.9Very low163 Ų163138.8 Ų138.880%0.80366%0.658SS**  trans-68.896.8173.9-78.9-59.4-66.900110L184L184-M186 PolarHBondContact O-N 3.24Å
187R33.2Very low38.2Very low233 Ų233138.8 Ų138.888%0.87967%0.665SS**  trans-54.7135.6172.5-158.2175.2-167.6164.70.9109.3P185 Q189P185-R187 PolarHBondContact O-N 3.2Å; R187-Q189 PolarHBondContact O-N 3.29Å; R187-Q189 VanDerWaalsContact O-N 3.09Å
188S37.7Very low37Very low112 Ų112144.9 Ų144.978%0.78370%0.695SS**  trans-61.6109.7-173.355.70000113.1
189Q32Very low36.1Very low178 Ų178144.5 Ų144.583%0.83270%0.701SS**  trans-131.9158.6157.1-82-62.62.300111.3R187R187-Q189 PolarHBondContact O-N 3.29Å; R187-Q189 VanDerWaalsContact O-N 3.09Å
190K36.1Very low35.4Very low178 Ų178146.1 Ų146.177%0.77471%0.714SS**  trans-101133.3-157.3-64.3169.9-178.61700113.1
191R33.9Very low34.7Very low236 Ų236148.5 Ų148.589%0.89172%0.721SS**  trans67.5168.4151.9-69.5-179.7178.2-155.60.5117.4
192P42.6Very low34Very low110 Ų110156.3 Ų156.371%0.71476%0.763SS**  cis-126164.9-29.330.1-13.1000113.4
193Y25Very low33.1Very low214 Ų214151.3 Ų151.384%0.83977%0.766SS**  trans-81.5134.3157.4-151.2-94.9000108.2T195Y193-T195 HydrophobicContact CD1-CG2 4.33Å; Y193-T195 HydrophobicContact CE1-CG2 3.86Å
194K32Very low32.5Very low194 Ų194153.6 Ų153.684%0.84378%0.779SS**  trans-146.7112.9173.9-146-173.2-175.3-164.30110
195T32.7Very low32.3Very low110 Ų110155.6 Ų155.668%0.67579%0.789SS**  trans-135.679.8176.451.40000109.7Y193Y193-T195 HydrophobicContact CD1-CG2 4.33Å; Y193-T195 HydrophobicContact CE1-CG2 3.86Å
196Y24.9Very low32.2Very low210 Ų210157.2 Ų157.282%0.82479%0.79SS**  trans-155.1148.5149.4-149-106.5000109.1
197S31.5Very low32.9Very low88 Ų88154.8 Ų154.862%0.61579%0.787SS**  trans-70.2137.6171.345.50000110.6
198D27.2Very low33.4Very low151 Ų151149.2 Ų149.281%0.80778%0.781SS**  -160.4178.6108.7-134.3-43000111.7
199S30.6Very low32.9Very low93 Ų93147.5 Ų147.565%0.6577%0.773SS**  trans-92.8-174.8-165.2-49.30000113.1
200L34.7Very low32.7Very low148 Ų148146.8 Ų146.878%0.77578%0.775SS**  trans68.793.9170.5-49.5175.5000115.8
201H31.7Very low32.4Very low178 Ų178142.5 Ų142.582%0.82477%0.773SS**  17511598.3-88.789.3000110.3
202N33.6Very low32.9Very low171 Ų171136.4 Ų136.491%0.91476%0.764SS**  trans-87.8141.9154.5-90-14.9000107.9
203G29.2Very low32.1Very low70 Ų70136 Ų13672%0.72276%0.764SS**  trans-107.5159.5-178.900000113.9
204L32.1Very low32.3Very low164 Ų164133.2 Ų133.286%0.85976%0.763SS**  trans-142.6148160.8-58.4171.9000105.5
205L31.2Very low32.1Very low150 Ų150129.1 Ų129.179%0.78576%0.758SS**  cis-158.3-177.9-18.6-114.2172.1000106.9
206L32.7Very low32Very low151 Ų151131.7 Ų131.779%0.79176%0.764SS**  trans-74179.3175.1-80.887.8000112.7
207P46.3Very low32.3Very low111 Ų111128.2 Ų128.272%0.72177%0.766SS**  cis-135.6-140.8-43.941.9-22.9000108.6
208P42.8Very low32.2Very low116 Ų116126.8 Ų126.875%0.75377%0.765SS**  cis-122.3-167.3-29.238.9-21.2000113.1
209A28.2Very low32.5Very low76 Ų76128.8 Ų128.863%0.62877%0.774SS**  trans-80.7155.5158.300000109.6
210D28.4Very low32.4Very low164 Ų164128 Ų12888%0.87778%0.781SS**  -162.2171.573.4-87.9-39.4000113.6
211A29.4Very low32.1Very low87 Ų87127.5 Ų127.572%0.71979%0.788SS**  trans-105.7-166.817600000109.7
212P43.4Very low32Very low109 Ų109123.4 Ų123.471%0.70879%0.785SS**  cis-129.4146.26.344.9-29.1000114.4
213S26.3Very low31.7Very low101 Ų101123.7 Ų123.771%0.70679%0.786SS**  30.496.988.668.10000113.9
214L28.5Very low31.6Very low156 Ų156123.6 Ų123.682%0.81779%0.785SS**SBend35.8116.476.1-98.5171.9000114.3
215S29.6Very low32.7Very low108 Ų108122.5 Ų122.576%0.75579%0.788SS**  trans47.4120158.355.80000120.4
216M29Very low32.5Very low163 Ų163118.9 Ų118.980%0.80379%0.786SS**  trans-39.3150.7145-60-69.196.700111.4
217T32Very low32.4Very low138 Ų138123.6 Ų123.685%0.84779%0.794SS**  cis-155.1176.222.1-10.30000106.2
218G29.7Very low31.6Very low58 Ų58121.3 Ų121.360%0.59879%0.79SS**  cis131.5123.818.900000110.2
219L34Very low30.9Very low193 Ų193122.4 Ų122.4100%1.0180%0.795SS**  trans66.2163.4170.6-58.8168000118.1
220G27.2Very low31Very low77 Ų77127.2 Ų127.279%0.79480%0.804SS**  trans121.483.4156.700000117
221C28.1Very low31Very low137 Ų137124.4 Ų124.493%0.92680%0.804SS**  trans-86.4131.8158.4-63.20000109.9
222A29.9Very low31.1Very low92 Ų92124 Ų12476%0.7681%0.808SS**  trans178.1149.8134.200000113.3
223L27.3Very low30.7Very low176 Ų176127.6 Ų127.692%0.92182%0.818SS**  trans10.8131.4136.5-48.7170.2000116.5
224G28.4Very low32.1Very low69 Ų69128.1 Ų128.171%0.71182%0.818SS**  cis173.2-149.235.300000114.1
225P55.3Low32.2Very low141 Ų141125.6 Ų125.692%0.91681%0.814SS**  trans-100.6157.8-148.937.8-37.1000115.9
226G25.8Very low32.4Very low73 Ų73126.4 Ų126.475%0.75381%0.814SS**  trans-150.2144172.700000113.5
227R31.4Very low32.5Very low251 Ų251126.6 Ų126.695%0.94782%0.817SS**  trans-31.9151.9170-58.7156.6173-144.2-3.6115.1
228G27.8Very low32.7Very low62 Ų62124.9 Ų124.964%0.63981%0.806SS**  cis117.6156.31200000111.5
229T29.6Very low32.8Very low139 Ų139133.2 Ų133.285%0.85382%0.821SS**  trans61.4146.5-178.747.90000114.8
230E30.6Very low32.6Very low178 Ų178127.3 Ų127.383%0.83281%0.807SS**  cis-129.615012.6-26.6-147.9102.800111.2
231A28.6Very low32.8Very low105 Ų105132.9 Ų132.987%0.86881%0.812SS**  66.3125.490.700000116.3
232G30.4Very low33.2Very low78 Ų78133 Ų13380%0.80481%0.809SS**  trans161.387.8178.200000115
233M35.1Very low33.4Very low185 Ų185138.2 Ų138.291%0.91181%0.814SS**  trans-142.3166.4172.5-73.5-83.1-177.400107.6
234P54.7Low34Very low111 Ų111135.6 Ų135.672%0.72181%0.807SS**  cis-120.5-170.4-9.434.3-13.5000111.3
235S32.6Very low34.1Very low103 Ų103138 Ų13872%0.7281%0.814SS**  178.312984.8-64.40000114.5
236V32Very low32.9Very low126 Ų126137.1 Ų137.176%0.76481%0.805SS**  trans25.4127.5130.3-175.40000120.9
237I32.8Very low33.3Very low167 Ų167141.1 Ų141.186%0.85681%0.808SS**  -158.2152.8126.3-99.2155.9000108.7
238T36Very low33.4Very low101 Ų101134.5 Ų134.562%0.6280%0.795SS**  trans-129.3-176.5-175.151.40000112.6
239Y31.9Very low33.7Very low234 Ų234140.6 Ų140.692%0.91881%0.806SS**  trans76.3141.8-172.3-50.4-76.3000114.8
240G30.1Very low33.7Very low69 Ų69137 Ų13771%0.71180%0.796SS**  cis-155174.70.800000113.4
241H31.1Very low33.8Very low193 Ų193133.6 Ų133.689%0.89480%0.799SS**  trans-83.2143.4-166.7-56.1-91.9000115.3
242T36.3Very low33.9Very low141 Ų141133.1 Ų133.187%0.86580%0.795SS**  trans-133.2162.3138.453.80000110.2
243K33.5Very low34Very low201 Ų201136.3 Ų136.387%0.87480%0.799SS**PPolyproline II helixtrans-95.6136.1-164.7-57.8167.1-176.1171.10112.1
244P40.5Very low33.7Very low120 Ų120133 Ų13378%0.77979%0.794SS**PPolyproline II helixtrans-74.8131.5159.431.2-31.4000109.9
245S30.8Very low32.6Very low121 Ų121133 Ų13385%0.84680%0.796SS**PPolyproline II helixtrans-80133.7175.745.20000111.4
246V29.6Very low32.5Very low121 Ų121133 Ų13373%0.73380%0.796SS**PPolyproline II helixtrans-93.4130.9179.81730000109.9V248V246-V248 HydrophobicContact CG1-CB 4.5Å; V246-V248 HydrophobicContact CG1-CG2 3.62Å
247I33.9Very low32.4Very low158 Ų158133.2 Ų133.281%0.8180%0.798SS**  trans-118.9108.5160.4-61.8-178.3000108
248V33.1Very low32.2Very low111 Ų111133 Ų13367%0.67380%0.796SS**  trans-95.5128.1175.4158.90000109.1V246 G250V246-V248 HydrophobicContact CG1-CB 4.5Å; V246-V248 HydrophobicContact CG1-CG2 3.62Å; V248-G250 PolarHBondContact O-N 3.16Å
249H34.1Very low31.8Very low191 Ų191133.1 Ų133.188%0.88480%0.797SS**  trans-8195.1157.9-80.7-63.5000108.7
250G30.5Very low31.7Very low62 Ų62130.6 Ų130.664%0.63979%0.793SS**  trans-73.5132.1-176.900000112.5V248V248-G250 PolarHBondContact O-N 3.16Å
251A32.2Very low31.7Very low108 Ų108131.1 Ų131.189%0.89379%0.786SS**  trans-80.4134.7154.800000108.4
252A31.8Very low31.6Very low94 Ų94129.2 Ų129.278%0.77778%0.782SS**  trans-129.2128.2174.700000110.1
253V32.3Very low31.4Very low146 Ų146130.7 Ų130.789%0.88578%0.779SS**  trans-130.2129.4168176.70000106
254S28.5Very low31.2Very low116 Ų116127.5 Ų127.581%0.81178%0.776SS**  trans-134124.2175.8-59.40000111
255S31Very low30.8Very low110 Ų110128.2 Ų128.277%0.76978%0.779SS**  trans-80.8175.1155.749.80000108.7
256S30.9Very low30.6Very low102 Ų102128.3 Ų128.371%0.71378%0.779SS**  cis-162.3142.139.253.40000111.9
257V30.4Very low30.4Very low132 Ų132126.2 Ų126.280%0.878%0.783SS**  73.3106.599.6-176.70000116.6
258I27.6Very low30.2Very low162 Ų162124.2 Ų124.283%0.83178%0.783SS**  trans-149.6139.2159.7-63.5-177.5000107.4
259V28.8Very low29.9Very low104 Ų104126.7 Ų126.763%0.6379%0.787SS**  cis-163.1145.8-34.984.50000109.2
260H30Very low29.8Very low180 Ų180126.9 Ų126.983%0.83379%0.785SS**  trans59.9156.7170.7-69.889.5000117.8
261S28.4Very low29.7Very low80 Ų80129.2 Ų129.256%0.55979%0.792SS**  cis-154.1146.3-9.4161.90000108.9
262N30.6Very low30.5Very low154 Ų154129.3 Ų129.382%0.82478%0.783SS**  -175.6154119.8-91.5-3.8000114.1
263Q31.7Very low30.4Very low172 Ų172130.7 Ų130.780%0.80478%0.781SS**  trans-71.6168.3-173.2-59163.815.600110.8
264V29.3Very low30Very low134 Ų134130.1 Ų130.181%0.81278%0.778SS**  cis-147.7155.443173.10000111.9
265T31.5Very low30Very low134 Ų134129.7 Ų129.782%0.82278%0.776SS**  trans-96.5178.4-178.648.30000113.6
266S25.6Very low30.7Very low123 Ų123130.2 Ų130.286%0.8678%0.776SS**  trans-138.815317258.50000112.5
267G26.2Very low30.4Very low78 Ų78130.2 Ų130.280%0.80478%0.777SS**  trans85.9144.1-172.100000112.8
268S29.3Very low31.3Very low116 Ų116128.9 Ų128.981%0.81177%0.771SS**  cis-159.9150.6-0.8178.30000109.3
269E27.5Very low31.4Very low163 Ų163129.6 Ų129.676%0.76277%0.77SS**  trans162.4159.5131.9-93.7-170.1-174.100115.1
270K31Very low31.4Very low195 Ų195130.7 Ų130.785%0.84878%0.777SS**  trans82.3155.6168.7-65.8161.1-168.2176.20117.8
271S29.5Very low31.5Very low111 Ų111125.6 Ų125.678%0.77677%0.773SS**  trans-145.3-171-158.263.60000109.6
272P48.3Very low31.4Very low109 Ų109126.9 Ų126.971%0.70878%0.782SS**  cis-131.5-156.7-10.328.3-3.7000113.4
273V29.7Very low31.5Very low123 Ų123124.4 Ų124.475%0.74578%0.777SS**  trans104.1139153.6-169.70000119.4
274T24.3Very low31.7Very low134 Ų134124.1 Ų124.182%0.82278%0.776SS**  trans73107.1167.927.40000121.7
275S28.4Very low31.7Very low108 Ų108124.3 Ų124.376%0.75577%0.771SS**  trans-71.3176.6144.243.60000110.9
276P45.2Very low31.4Very low120 Ų120124.9 Ų124.978%0.77977%0.768SS**  cis-145.6178.525.943.1-21.7000120.5
277S25.6Very low31.4Very low103 Ų103124.4 Ų124.472%0.7276%0.76SS**  trans-41169.8149.9-54.50000114.6
278P48.5Very low31.5Very low104 Ų104130.7 Ų130.768%0.67577%0.765SS**  cis-140.1152.540.136.7-13.1000117.6
279E29.1Very low31.4Very low177 Ų177128.4 Ų128.483%0.82776%0.761SS**  70.2163.3101.9-54.8172.2-154.800115.4
280T29.8Very low31.6Very low126 Ų126126.8 Ų126.877%0.77377%0.767SS**  cis-123.2160.91.554.20000109.3
281G31.4Very low32Very low73 Ų73123.6 Ų123.675%0.75377%0.767SS**  81.3137.37300000112.1
282S27.3Very low31.9Very low107 Ų107128.3 Ų128.375%0.74877%0.773SS**  cis-162.6130.61.4-176.20000112.1
283S31.8Very low30.9Very low103 Ų103127.8 Ų127.872%0.7278%0.778SS**  trans53.6166.8139.3-36.10000120.7
284Q36Very low31Very low165 Ų165129.6 Ų129.677%0.77178%0.782SS**  cis-141.6133.55.9-83-165.57.700110
285I28.7Very low31.3Very low138 Ų138132.2 Ų132.271%0.70878%0.782SS**  89.6148.195-62.6171.2000117
286L26.7Very low31.3Very low147 Ų147137.4 Ų137.477%0.7779%0.79SS**  trans84.885.2160.9-115.865.3000123.3
287T25.6Very low30.4Very low113 Ų113140.2 Ų140.269%0.69379%0.793SS**  18.7156.7126.174.10000124.2
288K27.6Very low30.7Very low209 Ų209146.4 Ų146.491%0.90980%0.801SS**  trans90.7145.8173.3-58.4174.1-179172.10114.5
289G26.6Very low29.5Very low69 Ų69148.1 Ų148.171%0.71181%0.805SS**  cis175.9152.5-5.500000111.5
290S31.5Very low29.6Very low129 Ų129145 Ų14590%0.90280%0.802SS**  trans-68.8154.8-175.2-39.70000113.8
291P39.4Very low29.6Very low128 Ų128145.1 Ų145.183%0.83180%0.803SS**  trans-118.3151.3144.125.9-12.4000114.6
292K29.2Very low29.4Very low209 Ų209148.8 Ų148.891%0.90981%0.805SS**  trans-62.5159.5-172.8-65.1160.3175.8171.70114.7
293A27Very low29.3Very low98 Ų98150.6 Ų150.681%0.8181%0.807SS**  trans-78.3159.8167.100000113
294I30.5Very low29.3Very low161 Ų161150.9 Ų150.983%0.82680%0.796SS**  trans-143.8148.1167.2-103165000110.8
295K30.4Very low28.9Very low190 Ų190155 Ų15583%0.82681%0.805SS**  trans35.6109.5167.3-73.2177.6176.8176.60119.3
296K29.5Very low29Very low216 Ų216158 Ų15894%0.93981%0.812SS**  trans-78.3125.9146.7-71176.6179172.50109.3
297Q27Very low28.9Very low180 Ų180162.6 Ų162.684%0.84182%0.82SS**  trans-112.7161.8161.6-166159.7-17.700109.3
298R30.1Very low29Very low233 Ų233161.4 Ų161.488%0.87982%0.816SS**  trans-128.991.5-152.6-177.2-165.2-178.91761.5112.9
299D24.9Very low29Very low140 Ų140161.6 Ų161.675%0.74981%0.811SS**  trans-131131.1162.3-70-71.2000108.6
300S29.9Very low28.9Very low112 Ų112165.2 Ų165.278%0.78381%0.814SS**  cis80.763.438.3-163.10000114.1
301T30.8Very low28.9Very low128 Ų128163.9 Ų163.979%0.78581%0.805SS**  trans-128.9121.6163.451.50000111.8
302D27Very low28.8Very low150 Ų150160.8 Ų160.880%0.80279%0.786SS**  trans-77.7140.5176.9-169.5-9.9000110.9H304D302-H304 PolarHBondContact O-N 3.31Å
303N26Very low28.6Very low145 Ų145158.2 Ų158.278%0.77578%0.782SS**  trans-92.684.8-173.2-114.6-76000112.2R305N303-R305 PolarHBondContact O-N 3.41Å
304H30Very low28.9Very low108 Ų108157.5 Ų157.550%0.577%0.768SS.*  trans-57.7108.2179-109.931000113.5K110 D302 K306K110-H304 PolarHBondContact NZ-NE2 3.01Å; K110-H304 VanDerWaalsContact NZ-NE2 3.16Å; D302-H304 PolarHBondContact O-N 3.31Å; H304-K306 PolarHBondContact O-N 2.84Å
305R29.3Very low28.6Very low251 Ų251156.7 Ų156.795%0.94777%0.771SS**  trans-63.493166.2-84.9-176.9168.7169.1-1.1111.3N303N303-R305 PolarHBondContact O-N 3.41Å
306K29.4Very low28.5Very low201 Ų201155 Ų15587%0.87477%0.771SS**  trans-75.8127155.5-73.9-178.4178.4175.40109.2H304H304-K306 PolarHBondContact O-N 2.84Å
307R26.2Very low28.4Very low244 Ų244153.3 Ų153.392%0.92177%0.766SS**  trans-130121.2158.7-156.6-178.3-150.5-141.75.8106.9
308S26.5Very low28.5Very low89 Ų89148.8 Ų148.862%0.62275%0.753SS**  trans-64.2150.9172.249.60000109.9
309R28.2Very low28.5Very low213 Ų213143.6 Ų143.680%0.80475%0.753SS**  trans-80.8136.1148.7-80.8174.3161.9158.1-8.5106.8
310D23.9Very low29Very low145 Ų145146.7 Ų146.778%0.77576%0.76SS**  trans-112.1148143.5-60.8-61.8000106.2
311S31.1Very low28.8Very low100 Ų100145 Ų14570%0.69976%0.76SS**  trans-148.8135.1-172.5-171.40000104.9
312S37.9Very low28.7Very low63 Ų63148.6 Ų148.644%0.44176%0.759SS.*  cis-176.4167.54.136.70000107.5R82R82-S312 PolarHBondContact NH1-OG 3.25Å; R82-S312 PolarHBondContact NH2-OG 2.92Å
313D24.9Very low28.7Very low155 Ų155150.4 Ų150.483%0.82976%0.763SS**  -137.3165.7128.9-139.2-27.2000112.1
314T32.8Very low28.8Very low84 Ų84149.5 Ų149.552%0.51576%0.758SS.*  trans-148.6132-157.937.50000113.7R82R82-T314 PolarHBondContact NH2-OG1 2.64Å
315T24.1Very low28.8Very low144 Ų144150.8 Ų150.888%0.88377%0.774SS**  trans-124.1105.3161.657.40000109.3
316D28.8Very low28.8Very low155 Ų155148 Ų14883%0.82977%0.771SS**  trans-154.7118173.2-131.7-17000108.1
317E27.4Very low28.7Very low180 Ų180146.8 Ų146.884%0.84177%0.772SS**  trans-139.9144156.4-122.9-48.8120.100108.2
318C30.4Very low28.7Very low84 Ų84138 Ų13857%0.56876%0.757SS**  trans-132.7119.2-147.7-177.40000112.6
319S29.8Very low28.6Very low124 Ų124145.9 Ų145.987%0.86777%0.774SS**  trans-138.7120168-88.60000112
320K35.5Very low28.5Very low206 Ų206139.8 Ų139.890%0.89677%0.769SS**  trans-75.1137.4-172.5-65.7167.3-177.11630112
321G24Very low28.6Very low77 Ų77141.8 Ų141.879%0.79477%0.771SS**  trans-155.4105.8161.400000110.5
322R29.4Very low28.4Very low202 Ų202146 Ų14676%0.76278%0.779SS**  trans-92.7140.6165.8-76.4-168.9179-163.6-1109.6
323H27.5Very low28Very low189 Ų189152.1 Ų152.188%0.87580%0.798SS**  trans-143.4124145.3-101.3-83.8000106.8
324D27.5Very low28.3Very low125 Ų125151 Ų15167%0.66880%0.8SS**  trans-97.3131.1174.8-56.2-71.1000107.9
325T29.9Very low28.1Very low136 Ų136158.9 Ų158.983%0.83482%0.82SS**  trans-146.5112.6166.549.10000109.2
326E30Very low28.3Very low191 Ų191162 Ų16289%0.89382%0.821SS**  trans-86.3144.7164.7-62.3175.7129.700109.6
327I26.1Very low28.3Very low176 Ų176158.5 Ų158.590%0.90381%0.808SS**  trans-172.1142.8141.3-96.6152.9000105.9
328G26.8Very low28.4Very low59 Ų59157.6 Ų157.661%0.60880%0.804SS**  trans-112.1-167.4-174.300000114.1
329R25.7Very low28.2Very low255 Ų255159.8 Ų159.896%0.96281%0.81SS**  trans73.4147.1-172.6-53.3-175.6-177.5-157.51.2112.7
330A25.6Very low28.2Very low85 Ų85163.1 Ų163.170%0.70281%0.809SS**  cis-148.8174.6-4.500000111.6
331F25.3Very low27.8Very low187 Ų187158.7 Ų158.782%0.8280%0.804SS**  trans-15.5136.7166.1-64.5-97.5000118.1
332H26.9Very low28Very low188 Ų188159.1 Ų159.187%0.8780%0.8SS**  -155.9136.8104.5-101.6-76.8000110.8
333K30.5Very low27.8Very low192 Ų192156.9 Ų156.984%0.83580%0.803SS**  trans-124.5121.8168-71.9178.9-178.8173.50108
334P30.3Very low27.7Very low133 Ų133153 Ų15386%0.86480%0.804SS**  trans-79.3122.8161.130.7-29.5000109.4
335R29.2Very low27.7Very low248 Ų248151.2 Ų151.294%0.93681%0.807SS**  trans-122.7122.3157.9-105.7-173.6169-173.2-5.1106.2
336K27.6Very low28.3Very low210 Ų210150.5 Ų150.591%0.91380%0.804SS**  trans-102.7161.4165.4-145.5170.8-177.7-178.70109.2
337S28.2Very low28.5Very low81 Ų81149.9 Ų149.957%0.56680%0.799SS**  trans-79.2162.3-159.647.20000115.8
338H29.6Very low28.6Very low162 Ų162148.5 Ų148.575%0.7579%0.788SS**  -166123.3109.9-98.7-64.9000114.5
339N26.9Very low28.8Very low130 Ų130150.2 Ų150.270%0.69580%0.797SS**  trans36.1118.5140.9-51.44.7000122.2
340K29Very low29.1Very low193 Ų193143.7 Ų143.784%0.83979%0.79SS**  -175.3126.198.5-94.5-179.9177.8-1760108.9
341S27.6Very low29.1Very low114 Ų114143.6 Ų143.680%0.79779%0.789SS**  70.5134.696-53.50000114.4
342A27.7Very low29.4Very low86 Ų86140.3 Ų140.371%0.71179%0.79SS**  cis-165.3169.2-1100000111.8
343N25.7Very low29.4Very low155 Ų155135.6 Ų135.683%0.82979%0.791SS**  trans63.5121.2153.2-64.81.3000123.9
344A26.4Very low29.1Very low108 Ų108129.8 Ų129.889%0.89379%0.787SS**  76.2144.2128.900000123.1
345A27.8Very low29.4Very low87 Ų87129 Ų12972%0.71978%0.784SS**  trans-117.9164.6166.500000109.5
346P42.8Very low29.6Very low120 Ų120126.6 Ų126.678%0.77978%0.784SS**  -118.5168.497-4.426.2000112.8
347K32.2Very low29.7Very low179 Ų179120.8 Ų120.878%0.77878%0.775SS**  cis72.2136.246.9-121.2-175.9173.8-121.20111.4
348E28.9Very low29.8Very low147 Ų147125.6 Ų125.669%0.68779%0.785SS**  cis-139.2160.517.7-42.1-147.511200113.1
349A30.6Very low29.7Very low95 Ų95125.5 Ų125.579%0.78579%0.785SS**  65.8149.999.200000117.3
350S32.1Very low29.9Very low118 Ų118125.1 Ų125.183%0.82579%0.793SS**  cis-129.5-140.52.953.60000110.1
351A26.1Very low30Very low83 Ų83119.4 Ų119.469%0.68679%0.789SS**  cis-170.7172.3-1000000107.3
352S31.8Very low30.9Very low118 Ų118120.2 Ų120.283%0.82579%0.791SS**  cis-169.6136.8-33.857.50000111.1
353G26.1Very low31.1Very low88 Ų88123.8 Ų123.891%0.90780%0.798SS**  trans92.8144.4169.100000116.6
354G24.8Very low31.4Very low71 Ų71122.7 Ų122.773%0.73280%0.8SS**  cis-172.8169.8-4.300000115.5
355S36.5Very low31.8Very low117 Ų117125.2 Ų125.282%0.81879%0.794SS**  trans57.698.6161.654.50000123.2
356Q33.8Very low31.9Very low197 Ų197128.8 Ų128.892%0.92180%0.799SS**  74.1147.3125.4-78.4-165.7-7.300125.9
357A29.2Very low31.3Very low88 Ų88128.3 Ų128.373%0.72779%0.794SS**  trans84.3118.5153.200000121
358K31Very low31.2Very low181 Ų181126 Ų12679%0.78780%0.795SS**  trans30145.1133.6-69.6167.2159.2-117.40119.9
359E27Very low31.4Very low161 Ų161130.3 Ų130.375%0.75281%0.805SS**  cis-156.617517.6-137.1148-129.800111.7
360S30.9Very low31.6Very low122 Ų122134.1 Ų134.185%0.85381%0.81SS**  trans-104.7129.9-173.757.50000114.4
361G31.6Very low31.6Very low73 Ų73131.7 Ų131.775%0.75380%0.804SS**  trans-124.5152.417300000112.7
362P45.7Very low31.9Very low131 Ų131137.2 Ų137.285%0.85182%0.815SS**  trans-102.2157.2-134.836.4-37000117.6
363L32.5Very low32Very low161 Ų161139.6 Ų139.684%0.84381%0.814SS**  trans-93.9123.4172.6-171.377.8000110.3Q365L363-Q365 PolarHBondContact O-N 2.88Å
364C31.9Very low32.2Very low131 Ų131140.3 Ų140.389%0.88581%0.811SS**  trans-74107.7179.5-66.10000112.3
365Q33.7Very low32.5Very low162 Ų162142.7 Ų142.776%0.75781%0.805SS**  trans-112.7112.9178-175.4174.9-1.200111L363L363-Q365 PolarHBondContact O-N 2.88Å
366I30.6Very low31.9Very low161 Ų161143.9 Ų143.983%0.82681%0.807SS**  trans-88.3124.4174.6-61.2175.4000109.1
367T30.8Very low31.9Very low110 Ų110142.9 Ų142.968%0.67580%0.8SS**  trans-105.3150.8171.853.30000110.6
368V30.6Very low31.8Very low132 Ų132149.5 Ų149.580%0.881%0.806SS**  trans-125.3126.9171.5179.70000107.3
369R32.2Very low31.7Very low236 Ų236145.7 Ų145.789%0.89180%0.803SS**  trans-84.4155.4-179.5-73179165.2178.1-6.6111.4
370I33.8Very low31.8Very low175 Ų175146 Ų14690%0.89781%0.808SS**  trans-135141.3173.7-60.8178.4000107.4
371G32.3Very low31.8Very low67 Ų67144.4 Ų144.469%0.69180%0.796SS**  trans127.2143.3-170.700000109.9
372E32.8Very low31.8Very low199 Ų199149.1 Ų149.193%0.9380%0.799SS**  cis-134.9-1806.3-67.5178.812200111.7
373E34.9Very low31.1Very low169 Ų169148.5 Ų148.579%0.7979%0.793SS**  trans-101.9165.7-171-56.6-175.1167.300113.7
374A29.1Very low30.8Very low103 Ų103147.1 Ų147.185%0.85179%0.786SS**  trans-139.6126.2160.800000110.2
375I31.8Very low30.8Very low120 Ų120148.2 Ų148.262%0.61578%0.783SS**  trans-121.2131.7-175.8-61.4173000109.9K377I375-K377 HydrophobicContact CG2-CG 4.05Å
376V23.6Very low30.7Very low142 Ų142148.6 Ų148.686%0.86178%0.781SS**  trans-128.9122.8159.9-178.60000108.9
377K35Very low30.6Very low176 Ų176152.3 Ų152.377%0.76579%0.785SS**  trans-95.4149-176-54.6170.3-178.9173.40111.8I375I375-K377 HydrophobicContact CG2-CG 4.05Å
378R25.3Very low30.3Very low227 Ų227150 Ų15086%0.85778%0.784SS**  trans-155.8116.3132.5-65.2-159.2173.984.41.7106.2
379S29.5Very low30.1Very low102 Ų102155.6 Ų155.671%0.71379%0.79SS**  54.9134.575.469.90000112.6
380I29.8Very low29.7Very low167 Ų167148.7 Ų148.786%0.85678%0.784SS**  cis-13917135.1-68.5163.2000111.3
381S31.2Very low29.4Very low88 Ų88145.2 Ų145.262%0.61578%0.775SS**  trans-120.2159.3-179.754.60000114
382E31.1Very low29.2Very low173 Ų173149.3 Ų149.381%0.80878%0.78SS**  trans63.5154.9160.3-68.417113100116.8
383T29.8Very low29Very low117 Ų117147.9 Ų147.972%0.71877%0.774SS**  cis-145-170.15.7-17.10000110.4
384D28Very low28.7Very low132 Ų132147.2 Ų147.271%0.70677%0.771SS**  trans73.8133.4164-71.9-22000119
385L31.5Very low28.8Very low155 Ų155149.9 Ų149.981%0.81277%0.771SS**  cis-136.5158.25.8-110.9158.8000112.8
386K31.6Very low28.6Very low169 Ų169147.4 Ų147.474%0.73578%0.775SS**  trans-76.3168.1170.6-50.3123.6178.4163.50109.1
387R28.1Very low28.8Very low239 Ų239147.7 Ų147.790%0.90277%0.772SS**  cis-167.3176.437.2-112.5156.3-168.4164.72.2106.4
388G25.4Very low28.6Very low63 Ų63148.6 Ų148.665%0.64978%0.776SS**  cis126.2124.30.900000112.8
389R25.5Very low28.6Very low248 Ų248146 Ų14694%0.93677%0.773SS**  trans77.7127.7-172.7-66.6-175.2168-159.4-5114.2
390A24.6Very low28.6Very low92 Ų92145.9 Ų145.976%0.7678%0.778SS**  85.2144.874.100000111.9
391S25.7Very low28.5Very low102 Ų102140.6 Ų140.671%0.71377%0.765SS**  cis-135.6160.816.3-51.10000111.8
392L29.5Very low28.4Very low152 Ų152145 Ų14580%0.79678%0.776SS**  59.4143.8102.4-63.6172.5000117.9
393E29Very low28.3Very low169 Ų169143.1 Ų143.179%0.7977%0.771SS**  trans68151.2164.3-36-165.7167.200116.2
394E28.8Very low28.4Very low155 Ų155146 Ų14672%0.72478%0.777SS**  cis-161.5149.7-34.5-116.6171-169.200106.9
395D30.8Very low28.6Very low159 Ų159148.4 Ų148.485%0.8578%0.784SS**  trans52.6163.1158.9-60.6-9.8000120.7
396G27.8Very low28.7Very low69 Ų69149.7 Ų149.771%0.71179%0.786SS**  cis-167.7-175-1.400000113.1
397D27.5Very low28.6Very low147 Ų147148.2 Ų148.279%0.78679%0.791SS**  trans-55.6143.6-168.6-47.6-57.8000118.2
398K30.5Very low29.1Very low195 Ų195146 Ų14685%0.84879%0.79SS**  -178.6142.2118.7-89.7141.7-160.71630109.9
399E26.1Very low29.2Very low174 Ų174152.2 Ų152.281%0.81380%0.803SS**  cis77.2132.637.1-77.8-66.2177.600116.1
400A29.3Very low29.5Very low98 Ų98149.2 Ų149.281%0.8180%0.799SS**  trans56.8150.9-167.100000115.8
401G26.9Very low29.6Very low57 Ų57153.8 Ų153.859%0.58881%0.805SS**  cis152.8148.4-6.200000110.8
402E30.1Very low29.7Very low181 Ų181152.9 Ų152.985%0.84680%0.798SS**  trans62.9163.7162.3-61.3152.6-157.800115.6
403D27.5Very low29.8Very low132 Ų132155.6 Ų155.671%0.70680%0.798SS**  cis-152.9154.6-40.1-102.2-18.4000109.2
404E33.3Very low29.7Very low178 Ų178155.4 Ų155.483%0.83280%0.802SS**  trans56.3-179.5162.5-61.6179.7159.700115.8
405E30.3Very low30Very low182 Ų182156.4 Ų156.485%0.8580%0.804SS**  cis-139.8-177.3-4.2-151.9-178.6-179.600109.7
406E35.3Very low29.7Very low182 Ų182160.9 Ų160.985%0.8581%0.809SS**  trans-85.7140.7-178.7-60-172.1130.800114.1
407V29.8Very low29.9Very low139 Ų139162.9 Ų162.984%0.84281%0.813SS**  trans-140.9123.4153.3-177.50000110.3
408E37.5Very low29.9Very low192 Ų192165.7 Ų165.790%0.89782%0.818SS**  trans-91.1130.2162.7-129.9-167.1175.100108.8
409E27.7Very low29.8Very low194 Ų194161.2 Ų161.291%0.90781%0.811SS**  trans-148.4162.8158.8-135.2-178.5-167.400113.1
410Q31Very low30.7Very low184 Ų184157.8 Ų157.886%0.8680%0.804SS**  trans-144.999.1-148.4177.6-170.98900111.6
411E27.6Very low30.8Very low188 Ų188159 Ų15988%0.87980%0.797SS**  trans-111.898.7179.1-155.6173.4-162.900115.8
412S26.9Very low31.1Very low83 Ų83163.8 Ų163.858%0.5880%0.804SS**  41.1114.3124.8136.30000121.3
413R32.1Very low31.1Very low210 Ų210161.1 Ų161.179%0.79280%0.795SS**  54.5115.8111.7-170-162.9-148.4-175.88.8118.8
414N28Very low31.3Very low164 Ų164160.9 Ų160.988%0.87779%0.794SS**  -146.2152.6128-133.7-34.1000114.7
415K34.3Very low31.7Very low176 Ų176159.4 Ų159.477%0.76579%0.791SS**  trans-113141.1178.7-65.7179.1178.4-179.40109.9
416R25.3Very low31.9Very low253 Ų253161.5 Ų161.596%0.95579%0.791SS**  trans-152.9146.8133.9-138.1171.1-178-173.4-0.2112.5
417S30.9Very low31.7Very low112 Ų112164.5 Ų164.578%0.78380%0.795SS**  trans-108.1148.6-175.344.50000111.4
418K28.3Very low32Very low206 Ų206163.6 Ų163.690%0.89679%0.792SS**  trans-156.4118.2143.5-153.6158.6-173.4178.30111.8
419S28.1Very low32.1Very low100 Ų100164.9 Ų164.970%0.69979%0.79SS**  trans-103.8168.7147.665.50000106.6
420P43.7Very low32.5Very low102 Ų102166.6 Ų166.666%0.66279%0.79SS**  -134.5165.259.442.1-27.2000114.7
421D32.3Very low32.7Very low125 Ų125162.9 Ų162.967%0.66878%0.784SS**  trans50.8148.9131.4-62.626.9000121.6
422Q33.5Very low33.3Very low157 Ų157162.7 Ų162.773%0.73478%0.777SS**  cis-147.2-175.710.8-138.3151.964.900112.7
423D30.7Very low34Very low125 Ų125167.3 Ų167.367%0.66879%0.786SS**  trans87.7122155.5-85.628000123.7
424N31.1Very low34.6Very low127 Ų127163.1 Ų163.168%0.67979%0.787SS**  trans8077.6146.1-59.7-39.7000120.5
425L40.9Very low35.7Very low146 Ų146161.6 Ų161.676%0.76477%0.772SS**  46.1150.3115.5-8965.1000121.6
426W34.5Very low36.6Very low227 Ų227162.1 Ų162.186%0.8677%0.774SS**  trans68.589.5173-66.6105.3000117.6P428W426-P428 WeakPolarHBondContact O-CD 3.46Å
427R32.2Very low38Very low245 Ų245158.7 Ų158.793%0.92577%0.766SS**  trans-92.4113.6151.7-75177.2168.1-122.11.2111
428P34.5Very low39.2Very low119 Ų119156.9 Ų156.977%0.77376%0.758SS**  trans-73.1150.4151-22.635.8000111.6W426W426-P428 WeakPolarHBondContact O-CD 3.46Å
429Y39.8Very low40.8Very low219 Ų219153.8 Ų153.886%0.85975%0.747SS**SBendtrans-94102.5-164.3-161.8-87.2000112.4
430Y36.7Very low42.7Very low230 Ų230151.5 Ų151.590%0.90273%0.734SS**  trans-165.4101.9157-98.3-62.2000113.1
431S34.3Very low44.1Very low107 Ų107152.6 Ų152.675%0.74873%0.73SS**  trans-92.5100.6175.753.10000112.3K433S431-K433 PolarHBondContact O-N 3.22Å
432Y41.1Very low46Very low183 Ų183151.6 Ų151.672%0.71872%0.724SS**  trans-7595.8-173.9-153.4-83.8000112.4P434 K435Y432-P434 WeakPolarHBondContact O-CD 3.19Å; Y432-K435 PolarHBondContact OH-NZ 2.83Å
433K42.4Very low48.1Very low180 Ų180148.7 Ų148.778%0.78371%0.71SS**  trans-55.7115.8-179.4-69.6178.8179.2174.20111.8S431 K435S431-K433 PolarHBondContact O-N 3.22Å; K433-K435 PolarHBondContact O-N 3.36Å
434P44.7Very low50.2Low123 Ų123152 Ų15280%0.79971%0.713SS**  trans-66.5132.9179.725.8-32.9000111Y432 K436Y432-P434 WeakPolarHBondContact O-CD 3.19Å; P434-K436 PolarHBondContact O-N 3.33Å
435K50.5Low52.6Low131 Ų131148.4 Ų148.457%0.5770%0.696SS**  trans-77.9121.1-162.2-66.7161.9-174.7164.60111.2Y432 K433 K437 A438Y432-K435 PolarHBondContact OH-NZ 2.83Å; K433-K435 PolarHBondContact O-N 3.36Å; K435-K437 PolarHBondContact O-N 2.88Å; K435-A438 PolarHBondContact O-N 3.33Å
436K53.6Low54.7Low188 Ų188146.6 Ų146.682%0.81768%0.682SS**THydrogen-bonded Turntrans-44.3-24.3176.7-67.4-173.6176.5-175.60115P434 A438 Q439 A440P434-K436 PolarHBondContact O-N 3.33Å; K436-A438 VanDerWaalsContact C-N 3.27Å; K436-A438 PolarHBondContact O-N 3.06Å; K436-Q439 PolarHBondContact O-N 3.47Å; K436-A440 PolarHBondContact O-N 2.86Å
437K53.1Low57Low181 Ų181139.2 Ų139.279%0.78766%0.66SS**Hα-helixtrans-56-32.1174.1-63.7-177.5178.8179.10113.9K435 H441K435-K437 PolarHBondContact O-N 2.88Å; K437-H441 PolarHBondContact O-N 3.09Å
438A57.3Low59.4Low73 Ų73135.5 Ų135.560%0.60365%0.646SS**Hα-helixtrans-67.2-45.8-179.900000112.5K435 K436 A440 H441 L442K435-A438 PolarHBondContact O-N 3.33Å; K436-A438 VanDerWaalsContact C-N 3.27Å; K436-A438 PolarHBondContact O-N 3.06Å; A438-A440 VanDerWaalsContact C-N 3.33Å; A438-A440 PolarHBondContact O-N 2.78Å; A438-H441 WeakPolarHBondContact O-CB 3.48Å; A438-H441 PolarHBondContact O-N 2.93Å; A438-H441 VanDerWaalsContact O-N 3.16Å; A438-L442 PolarHBondContact O-N 3.17Å
439Q62.7Low61.6Low142 Ų142134.8 Ų134.866%0.66463%0.632SS**Hα-helixtrans-63.5-39.9177.2-162.5179.417.800111.4K436 H441 L442 Q443K436-Q439 PolarHBondContact O-N 3.47Å; Q439-H441 VanDerWaalsContact C-N 3.34Å; Q439-H441 PolarHBondContact O-N 3.12Å; Q439-L442 PolarHBondContact O-N 3.06Å; Q439-Q443 WeakPolarHBondContact O-CG 3.27Å; Q439-Q443 PolarHBondContact O-N 2.92Å
440A67.4Low63.6Low52 Ų52132 Ų13243%0.4362%0.62SS.*Hα-helixtrans-63.9-35.3173.800000113.1K436 A438 R444K436-A440 PolarHBondContact O-N 2.86Å; A438-A440 VanDerWaalsContact C-N 3.33Å; A438-A440 PolarHBondContact O-N 2.78Å; A440-R444 WeakPolarHBondContact O-CG 3.34Å; A440-R444 PolarHBondContact O-N 2.91Å; A440-R444 VanDerWaalsContact O-N 3.15Å
441H72.6Confident65.8Low125 Ų125128.2 Ų128.258%0.57961%0.608SS**Hα-helixtrans-65.6-45.9172.1-174.8-104.9000111.4K437 A438 Q439 Q443 R444 V445K437-H441 PolarHBondContact O-N 3.09Å; A438-H441 WeakPolarHBondContact O-CB 3.48Å; A438-H441 PolarHBondContact O-N 2.93Å; A438-H441 VanDerWaalsContact O-N 3.16Å; Q439-H441 VanDerWaalsContact C-N 3.34Å; Q439-H441 PolarHBondContact O-N 3.12Å; H441-Q443 VanDerWaalsContact C-N 3.32Å; H441-Q443 PolarHBondContact O-N 3.08Å; H441-R444 WeakPolarHBondContact O-CB 3.34Å; H441-R444 PolarHBondContact O-N 2.82Å; H441-R444 VanDerWaalsContact O-N 3.1Å; H441-V445 PolarHBondContact O-N 2.81Å
442L72.8Confident68Low104 Ų104126.8 Ų126.855%0.54559%0.591SS.*Hα-helixtrans-59.8-41.2178.4-156.876.9000112.1A438 Q439 V445 K446A438-L442 PolarHBondContact O-N 3.17Å; Q439-L442 PolarHBondContact O-N 3.06Å; L442-V445 PolarHBondContact O-N 3.49Å; L442-K446 WeakPolarHBondContact O-CG 3.47Å; L442-K446 PolarHBondContact O-N 3.13Å
443Q78.1Confident69.8Low96 Ų96126 Ų12645%0.44959%0.592SS.*Hα-helixtrans-65.9-36.1174.9-69.8-67.911.800112.9Q439 H441 K446 N447Q439-Q443 WeakPolarHBondContact O-CG 3.27Å; Q439-Q443 PolarHBondContact O-N 2.92Å; H441-Q443 VanDerWaalsContact C-N 3.32Å; H441-Q443 PolarHBondContact O-N 3.08Å; Q443-K446 PolarHBondContact O-N 2.99Å; Q443-N447 WeakPolarHBondContact O-CB 3.17Å; Q443-N447 PolarHBondContact O-N 3.14Å
444R74.7Confident71.8Confident194 Ų194124.8 Ų124.873%0.73258%0.583SS**Hα-helixtrans-63.2-40.9172.3-73.7173.8179-170.7-0.3111.8A440 H441 N447 W448A440-R444 WeakPolarHBondContact O-CG 3.34Å; A440-R444 PolarHBondContact O-N 2.91Å; A440-R444 VanDerWaalsContact O-N 3.15Å; H441-R444 WeakPolarHBondContact O-CB 3.34Å; H441-R444 PolarHBondContact O-N 2.82Å; H441-R444 VanDerWaalsContact O-N 3.1Å; R444-N447 PolarHBondContact O-N 3.4Å; R444-W448 WeakPolarHBondContact O-CB 3.45Å; R444-W448 PolarHBondContact O-N 2.92Å
445V81.7Confident73.6Confident52 Ų52125.3 Ų125.332%0.31557%0.573SS.*Hα-helixtrans-63.9-471751760000111.2H441 L442 N447 W448 Q449H441-V445 PolarHBondContact O-N 2.81Å; L442-V445 PolarHBondContact O-N 3.49Å; V445-N447 VanDerWaalsContact C-N 3.33Å; V445-N447 PolarHBondContact O-N 3.41Å; V445-W448 PolarHBondContact O-N 3.16Å; V445-Q449 WeakPolarHBondContact O-CG 3.38Å; V445-Q449 PolarHBondContact O-N 2.87Å
446K84.9Confident75Confident107 Ų107127.8 Ų127.847%0.46558%0.579SS.*Hα-helixtrans-58.3-42.3175.4-71.5-177.6178.2-172.30111.9L442 Q443 Q449 R450L442-K446 WeakPolarHBondContact O-CG 3.47Å; L442-K446 PolarHBondContact O-N 3.13Å; Q443-K446 PolarHBondContact O-N 2.99Å; K446-Q449 PolarHBondContact O-N 3.12Å; K446-R450 WeakPolarHBondContact O-CG 3.26Å; K446-R450 PolarHBondContact O-N 3.46Å
447N81.9Confident76.6Confident73 Ų73121.4 Ų121.439%0.3956%0.558SS.*Hα-helixtrans-69-34.4176.4-76.8-8.3000113.5Q443 R444 V445 R450 K451Q443-N447 WeakPolarHBondContact O-CB 3.17Å; Q443-N447 PolarHBondContact O-N 3.14Å; R444-N447 PolarHBondContact O-N 3.4Å; V445-N447 VanDerWaalsContact C-N 3.33Å; V445-N447 PolarHBondContact O-N 3.41Å; N447-R450 PolarHBondContact O-N 2.91Å; N447-R450 PolarHBondContact OD1-NE 2.75Å; N447-R450 PolarHBondContact OD1-NH2 3.28Å; N447-K451 WeakPolarHBondContact O-CG 3.29Å; N447-K451 PolarHBondContact O-N 2.89Å
448W83.3Confident78.2Confident167 Ų167115.5 Ų115.563%0.63354%0.535SS*.Hα-helixtrans-66.8-43.4173.1-179.386.1000111.7R444 V445 R450 K451 L452R444-W448 WeakPolarHBondContact O-CB 3.45Å; R444-W448 PolarHBondContact O-N 2.92Å; V445-W448 PolarHBondContact O-N 3.16Å; W448-R450 PolarHBondContact O-N 2.82Å; W448-K451 PolarHBondContact O-N 3.46Å; W448-L452 HydrophobicContact CD2-CD1 3.98Å; W448-L452 HydrophobicContact CD2-CG 4.41Å; W448-L452 HydrophobicContact CE3-CD1 3.78Å; W448-L452 HydrophobicContact CH2-CD1 3.49Å; W448-L452 VanDerWaalsContact CH2-CD1 3.49Å; W448-L452 HydrophobicContact CZ2-CD1 3.67Å; W448-L452 HydrophobicContact CZ2-CG 4.48Å; W448-L452 HydrophobicContact CZ3-CD1 3.53Å; W448-L452 PolarHBondContact O-N 3.36Å
449Q79.4Confident79.4Confident103 Ų103120.6 Ų120.648%0.48154%0.538SS..Hα-helixtrans-60.6-43.5173.1-72.3178.8-11.200112.2V445 K446 L452 K453V445-Q449 WeakPolarHBondContact O-CG 3.38Å; V445-Q449 PolarHBondContact O-N 2.87Å; K446-Q449 PolarHBondContact O-N 3.12Å; Q449-L452 PolarHBondContact O-N 3.49Å; Q449-K453 PolarHBondContact O-N 3.49Å
450R82.8Confident80.5Confident161 Ų161118.7 Ų118.761%0.60853%0.532SS*.Hα-helixtrans-59-46.7173-74.4-164.4-80.1-168.2-2.6111.7K446 N447 W448 L452 K453 Y454K446-R450 WeakPolarHBondContact O-CG 3.26Å; K446-R450 PolarHBondContact O-N 3.46Å; N447-R450 PolarHBondContact O-N 2.91Å; N447-R450 PolarHBondContact OD1-NE 2.75Å; N447-R450 PolarHBondContact OD1-NH2 3.28Å; W448-R450 PolarHBondContact O-N 2.82Å; R450-L452 VanDerWaalsContact C-N 3.3Å; R450-L452 PolarHBondContact O-N 3.07Å; R450-K453 PolarHBondContact O-N 2.93Å; R450-Y454 PolarHBondContact O-N 3.45Å
451K82.2Confident81.5Confident150 Ų150123.3 Ų123.365%0.65254%0.542SS*.Hα-helixtrans-63.2-30.8175.6-74.7-176.2177-1750113.2N447 W448 K455N447-K451 WeakPolarHBondContact O-CG 3.29Å; N447-K451 PolarHBondContact O-N 2.89Å; W448-K451 PolarHBondContact O-N 3.46Å; K451-K455 WeakPolarHBondContact O-CB 3.4Å; K451-K455 WeakPolarHBondContact O-CG 3.4Å; K451-K455 PolarHBondContact O-N 2.79Å
452L80Confident82.2Confident77 Ų77124.7 Ų124.740%0.40354%0.542SS..Hα-helixtrans-71.7-45172.1-77.8-179.7000112.9W448 Q449 R450 Y454 K455 R456W448-L452 HydrophobicContact CD2-CD1 3.98Å; W448-L452 HydrophobicContact CD2-CG 4.41Å; W448-L452 HydrophobicContact CE3-CD1 3.78Å; W448-L452 HydrophobicContact CH2-CD1 3.49Å; W448-L452 VanDerWaalsContact CH2-CD1 3.49Å; W448-L452 HydrophobicContact CZ2-CD1 3.67Å; W448-L452 HydrophobicContact CZ2-CG 4.48Å; W448-L452 HydrophobicContact CZ3-CD1 3.53Å; W448-L452 PolarHBondContact O-N 3.36Å; Q449-L452 PolarHBondContact O-N 3.49Å; R450-L452 VanDerWaalsContact C-N 3.3Å; R450-L452 PolarHBondContact O-N 3.07Å; L452-Y454 VanDerWaalsContact C-N 3.31Å; L452-Y454 PolarHBondContact O-N 3.18Å; L452-K455 CarbonylContact O-C 3.57Å; L452-K455 PolarHBondContact O-N 3Å; L452-R456 PolarHBondContact O-N 2.86Å
453K79.8Confident82.9Confident166 Ų166128.1 Ų128.172%0.72255%0.548SS*.Hα-helixtrans-56.8-46175.3-72.9-173.5177.8-172.70110.7Q449 R450 R456 S457Q449-K453 PolarHBondContact O-N 3.49Å; R450-K453 PolarHBondContact O-N 2.93Å; K453-R456 WeakPolarHBondContact O-CB 3.49Å; K453-R456 PolarHBondContact O-N 2.88Å; K453-R456 VanDerWaalsContact O-N 3.11Å; K453-S457 PolarHBondContact O-N 3.05Å
454Y84.9Confident83.4Confident155 Ų155126 Ų12661%0.60855%0.547SS*.Hα-helixtrans-62.3-43.5175-173.4-107.4000113.3R450 L452 R456 S457 I458R450-Y454 PolarHBondContact O-N 3.45Å; L452-Y454 VanDerWaalsContact C-N 3.31Å; L452-Y454 PolarHBondContact O-N 3.18Å; Y454-R456 PolarHBondContact O-N 2.84Å; Y454-S457 PolarHBondContact O-N 2.97Å; Y454-S457 PolarHBondContact O-OG 3Å; Y454-I458 HydrophobicContact CD1-CD1 3.85Å; Y454-I458 HydrophobicContact CE1-CD1 3.39Å; Y454-I458 HydrophobicContact CE1-CG1 4.44Å; Y454-I458 HydrophobicContact CE2-CD1 4.36Å; Y454-I458 PolarHBondContact O-N 3.23Å
455K82.3Confident84.1Confident135 Ų135121.3 Ų121.359%0.58753%0.533SS*.Hα-helixtrans-69-13.8173.5-75.6-178176.6-172.30114.3K451 L452 R459K451-K455 WeakPolarHBondContact O-CB 3.4Å; K451-K455 WeakPolarHBondContact O-CG 3.4Å; K451-K455 PolarHBondContact O-N 2.79Å; L452-K455 CarbonylContact O-C 3.57Å; L452-K455 PolarHBondContact O-N 3Å; K455-R459 PolarHBondContact O-NE 3.14Å
456R78.8Confident84.4Confident183 Ų183127 Ų12769%0.69155%0.549SS*.Hα-helixtrans-86.5-44.3170.7-172.2174.2177.1170.2-2.5110.7L452 K453 Y454 R459 L460L452-R456 PolarHBondContact O-N 2.86Å; K453-R456 WeakPolarHBondContact O-CB 3.49Å; K453-R456 PolarHBondContact O-N 2.88Å; K453-R456 VanDerWaalsContact O-N 3.11Å; Y454-R456 PolarHBondContact O-N 2.84Å; R456-R459 PolarHBondContact O-N 3.29Å; R456-L460 HydrophobicContact CG-CD1 4.35Å; R456-L460 WeakPolarHBondContact O-CG 3.46Å; R456-L460 PolarHBondContact O-N 3.3Å
457S87.4Confident84.6Confident54 Ų54126.9 Ų126.938%0.37855%0.553SS.*Hα-helixtrans-64.4-41.1177.362.60000112.7K453 Y454 R459 L460 K461K453-S457 PolarHBondContact O-N 3.05Å; Y454-S457 PolarHBondContact O-N 2.97Å; Y454-S457 PolarHBondContact O-OG 3Å; S457-R459 VanDerWaalsContact C-N 3.3Å; S457-R459 PolarHBondContact O-N 3.01Å; S457-L460 PolarHBondContact O-N 3.35Å; S457-L460 VanDerWaalsContact O-N 3.14Å; S457-K461 PolarHBondContact O-N 2.87Å
458I87.1Confident84.8Confident57 Ų57131.1 Ų131.129%0.29257%0.568SS.*Hα-helixtrans-58.8-40.8171.9-71.1174.4000111.6Y454 L460 K461 R462Y454-I458 HydrophobicContact CD1-CD1 3.85Å; Y454-I458 HydrophobicContact CE1-CD1 3.39Å; Y454-I458 HydrophobicContact CE1-CG1 4.44Å; Y454-I458 HydrophobicContact CE2-CD1 4.36Å; Y454-I458 PolarHBondContact O-N 3.23Å; I458-L460 VanDerWaalsContact C-N 3.32Å; I458-L460 PolarHBondContact O-N 2.55Å; I458-K461 PolarHBondContact O-N 2.89Å; I458-R462 HydrophobicContact CG2-CG 4.47Å; I458-R462 WeakPolarHBondContact O-CB 3.49Å; I458-R462 WeakPolarHBondContact O-CG 3.42Å; I458-R462 PolarHBondContact O-N 3.31Å
459R83.3Confident84.9Confident179 Ų179132.2 Ų132.268%0.67557%0.572SS**Hα-helixtrans-67-33.1177.4-104-175.4-71.3-178.7-3.6112.7K455 R456 S457 R463K455-R459 PolarHBondContact O-NE 3.14Å; R456-R459 PolarHBondContact O-N 3.29Å; S457-R459 VanDerWaalsContact C-N 3.3Å; S457-R459 PolarHBondContact O-N 3.01Å; R459-R463 PolarHBondContact O-N 3.17Å
460L85.3Confident85.3Confident102 Ų102132.5 Ų132.553%0.53458%0.576SS.*Hα-helixtrans-71.4-46.8174.1-70.4166.4000111.4R456 S457 I458 R462 R463 A464R456-L460 HydrophobicContact CG-CD1 4.35Å; R456-L460 WeakPolarHBondContact O-CG 3.46Å; R456-L460 PolarHBondContact O-N 3.3Å; S457-L460 PolarHBondContact O-N 3.35Å; S457-L460 VanDerWaalsContact O-N 3.14Å; I458-L460 VanDerWaalsContact C-N 3.32Å; I458-L460 PolarHBondContact O-N 2.55Å; L460-R462 PolarHBondContact O-N 2.91Å; L460-R463 WeakPolarHBondContact O-CA 3.1Å; L460-R463 WeakPolarHBondContact O-CB 3.45Å; L460-R463 PolarHBondContact O-N 3.33Å; L460-A464 PolarHBondContact O-N 3.49Å
461K87.4Confident85.2Confident149 Ų149130.1 Ų130.165%0.64858%0.575SS**Hα-helixtrans-55-50.1173.3-72.7-165.5173.2-1670111.6S457 I458 R463 A464 E465S457-K461 PolarHBondContact O-N 2.87Å; I458-K461 PolarHBondContact O-N 2.89Å; K461-R463 PolarHBondContact O-N 3.2Å; K461-R463 VanDerWaalsContact O-N 3.09Å; K461-A464 PolarHBondContact O-N 2.97Å; K461-A464 VanDerWaalsContact O-N 3.12Å; K461-E465 WeakPolarHBondContact O-CG 3.38Å; K461-E465 PolarHBondContact O-N 3.26Å
462R88.8Confident84.9Confident155 Ų155127.4 Ų127.459%0.58557%0.568SS**Hα-helixtrans-68.1-4.1175.1-67.7-176.9-179.1-170.70.7115.7I458 L460 R466I458-R462 HydrophobicContact CG2-CG 4.47Å; I458-R462 WeakPolarHBondContact O-CB 3.49Å; I458-R462 WeakPolarHBondContact O-CG 3.42Å; I458-R462 PolarHBondContact O-N 3.31Å; L460-R462 PolarHBondContact O-N 2.91Å; R462-R466 PolarHBondContact O-NE 3.02Å; R462-R466 VanDerWaalsContact O-NE 3.08Å; R462-R466 PolarHBondContact O-NH2 3.09Å
463R85.9Confident84.7Confident175 Ų175130 Ų13066%0.6658%0.576SS**Hα-helixtrans-96-44.6167.8-172.9177.1-179.6176.9-0.3110.1R459 L460 K461 R466 L467R459-R463 PolarHBondContact O-N 3.17Å; L460-R463 WeakPolarHBondContact O-CA 3.1Å; L460-R463 WeakPolarHBondContact O-CB 3.45Å; L460-R463 PolarHBondContact O-N 3.33Å; K461-R463 PolarHBondContact O-N 3.2Å; K461-R463 VanDerWaalsContact O-N 3.09Å; R463-R466 PolarHBondContact O-N 3.16Å; R463-L467 HydrophobicContact CG-CD1 4.47Å; R463-L467 WeakPolarHBondContact O-CG 3.47Å; R463-L467 PolarHBondContact O-N 2.94Å
464A88.7Confident84.2Confident51 Ų51128.5 Ų128.542%0.42157%0.571SS.*Hα-helixtrans-59.5-45.1174.300000112.1L460 K461 R466 L467 K468L460-A464 PolarHBondContact O-N 3.49Å; K461-A464 PolarHBondContact O-N 2.97Å; K461-A464 VanDerWaalsContact O-N 3.12Å; A464-R466 VanDerWaalsContact C-N 3.29Å; A464-R466 PolarHBondContact O-N 2.89Å; A464-L467 PolarHBondContact O-N 3.42Å; A464-K468 PolarHBondContact O-N 3.47Å
465E89.5Confident83.2Confident97 Ų97124.2 Ų124.245%0.45356%0.561SS.*Hα-helixtrans-56.7-40.3173-73.4162.8-169.200112.7K461 K468 R469K461-E465 WeakPolarHBondContact O-CG 3.38Å; K461-E465 PolarHBondContact O-N 3.26Å; E465-K468 PolarHBondContact O-N 3.44Å; E465-R469 WeakPolarHBondContact O-CG 3.31Å; E465-R469 PolarHBondContact O-N 3.17Å
466R88.6Confident82.1Confident170 Ų170121.8 Ų121.864%0.64255%0.552SS**Hα-helixtrans-71.6-35177.9-99.8-177.4-72.2-171.3-3.3112.5R462 R463 A464 L470R462-R466 PolarHBondContact O-NE 3.02Å; R462-R466 VanDerWaalsContact O-NE 3.08Å; R462-R466 PolarHBondContact O-NH2 3.09Å; R463-R466 PolarHBondContact O-N 3.16Å; A464-R466 VanDerWaalsContact C-N 3.29Å; A464-R466 PolarHBondContact O-N 2.89Å; R466-L470 VanDerWaalsContact O-CG 3.29Å; R466-L470 WeakPolarHBondContact O-CG 3.45Å; R466-L470 PolarHBondContact O-N 3.43Å
467L88.3Confident81.1Confident105 Ų105118.9 Ų118.955%0.5554%0.544SS..Hα-helixtrans-66.7-44.6171.8-68.4170000110.9R463 A464 R469 L470 L471R463-L467 HydrophobicContact CG-CD1 4.47Å; R463-L467 WeakPolarHBondContact O-CG 3.47Å; R463-L467 PolarHBondContact O-N 2.94Å; A464-L467 PolarHBondContact O-N 3.42Å; L467-R469 PolarHBondContact O-N 3.3Å; L467-L470 PolarHBondContact O-N 2.98Å; L467-L470 VanDerWaalsContact O-N 3.16Å; L467-L471 PolarHBondContact O-N 3.12Å
468K87.6Confident79.5Confident163 Ų163120.7 Ų120.771%0.70956%0.557SS**Hα-helixtrans-56.6-45.8172.6-75-164.5172.8-162.90112.2A464 E465 L470 L471 N472A464-K468 PolarHBondContact O-N 3.47Å; E465-K468 PolarHBondContact O-N 3.44Å; K468-L470 VanDerWaalsContact C-N 3.34Å; K468-L470 PolarHBondContact O-N 2.88Å; K468-L471 PolarHBondContact O-N 3.08Å; K468-N472 PolarHBondContact O-N 3.09Å
469R85.3Confident77.9Confident189 Ų189125.2 Ų125.271%0.71358%0.577SS**Hα-helixtrans-65.7-31.3176.5-71.7178.9-170.8-159.91.9113.9E465 L467 K473E465-R469 WeakPolarHBondContact O-CG 3.31Å; E465-R469 PolarHBondContact O-N 3.17Å; L467-R469 PolarHBondContact O-N 3.3Å; R469-K473 VanDerWaalsContact O-CB 3.28Å; R469-K473 WeakPolarHBondContact O-CB 3.37Å; R469-K473 PolarHBondContact O-N 3.26Å
470L86.4Confident76.4Confident110 Ų110123 Ų12358%0.57658%0.579SS**Hα-helixtrans-74-35.7174-73.4169.9000111.8R466 L467 K468 K473 Q474R466-L470 VanDerWaalsContact O-CG 3.29Å; R466-L470 WeakPolarHBondContact O-CG 3.45Å; R466-L470 PolarHBondContact O-N 3.43Å; L467-L470 PolarHBondContact O-N 2.98Å; L467-L470 VanDerWaalsContact O-N 3.16Å; K468-L470 VanDerWaalsContact C-N 3.34Å; K468-L470 PolarHBondContact O-N 2.88Å; L470-K473 PolarHBondContact O-N 3.4Å; L470-Q474 WeakPolarHBondContact O-CG 3.21Å; L470-Q474 PolarHBondContact O-N 3.45Å; L470-Q474 VanDerWaalsContact O-N 3.09Å
471L82.6Confident74.8Confident110 Ų110122.8 Ų122.858%0.57658%0.575SS**Hα-helixtrans-67.7-46.7174.5-167.372.2000111.4L467 K468 K473 Q474 T475L467-L471 PolarHBondContact O-N 3.12Å; K468-L471 PolarHBondContact O-N 3.08Å; L471-K473 VanDerWaalsContact C-N 3.26Å; L471-K473 PolarHBondContact O-N 2.77Å; L471-Q474 WeakPolarHBondContact O-CA 3.4Å; L471-Q474 WeakPolarHBondContact O-CB 3.29Å; L471-Q474 PolarHBondContact O-N 2.83Å; L471-T475 PolarHBondContact O-N 3.42Å
472N75.6Confident73.2Confident93 Ų93124.6 Ų124.650%0.49759%0.586SS.*Hα-helixtrans-58.4-40.7175.2-138.588000111.3K468 Q474 T475 E476K468-N472 PolarHBondContact O-N 3.09Å; N472-Q474 PolarHBondContact O-N 3.48Å; N472-T475 WeakPolarHBondContact CA-OG1 3.37Å; N472-T475 PolarHBondContact O-N 3.19Å; N472-T475 PolarHBondContact O-OG1 3.31Å; N472-E476 PolarHBondContact ND2-OE1 3.03Å; N472-E476 WeakPolarHBondContact O-CB 3.42Å; N472-E476 VanDerWaalsContact O-CD 3.27Å; N472-E476 WeakPolarHBondContact O-CG 3.28Å; N472-E476 PolarHBondContact O-N 3.29Å
473K75.4Confident71.8Confident133 Ų133125.4 Ų125.458%0.57860%0.596SS**Hα-helixtrans-71-13.9174.8-172.9156.8-173.5155.40114.3R469 L470 L471 K477R469-K473 VanDerWaalsContact O-CB 3.28Å; R469-K473 WeakPolarHBondContact O-CB 3.37Å; R469-K473 PolarHBondContact O-N 3.26Å; L470-K473 PolarHBondContact O-N 3.4Å; L471-K473 VanDerWaalsContact C-N 3.26Å; L471-K473 PolarHBondContact O-N 2.77Å; K473-K477 WeakPolarHBondContact O-CB 3.35Å
474Q68.6Low70.6Confident134 Ų134122 Ų12263%0.62659%0.591SS**Hα-helixtrans-84.5-41.2167.4-76.2175.9-40.400110.9L470 L471 N472 K477 S478L470-Q474 WeakPolarHBondContact O-CG 3.21Å; L470-Q474 PolarHBondContact O-N 3.45Å; L470-Q474 VanDerWaalsContact O-N 3.09Å; L471-Q474 WeakPolarHBondContact O-CA 3.4Å; L471-Q474 WeakPolarHBondContact O-CB 3.29Å; L471-Q474 PolarHBondContact O-N 2.83Å; N472-Q474 PolarHBondContact O-N 3.48Å; Q474-K477 CarbonylContact O-C 3.52Å; Q474-K477 PolarHBondContact O-N 3.47Å; Q474-S478 PolarHBondContact O-N 3.22Å; Q474-S478 PolarHBondContact O-OG 2.93Å
475T63.8Low69.4Low65 Ų65127.4 Ų127.440%0.39960%0.601SS.*Hα-helixtrans-67.4-45.2177.954.10000112.5L471 N472 K477 S478 Q479L471-T475 PolarHBondContact O-N 3.42Å; N472-T475 WeakPolarHBondContact CA-OG1 3.37Å; N472-T475 PolarHBondContact O-N 3.19Å; N472-T475 PolarHBondContact O-OG1 3.31Å; T475-K477 VanDerWaalsContact C-N 3.28Å; T475-K477 PolarHBondContact O-N 3.11Å; T475-S478 WeakPolarHBondContact CA-OG 3.4Å; T475-S478 PolarHBondContact O-N 3.28Å; T475-S478 VanDerWaalsContact O-N 3.14Å; T475-S478 PolarHBondContact O-OG 3.38Å; T475-Q479 PolarHBondContact O-N 3.14Å
476E59.3Low68.6Low84 Ų84123.6 Ų123.639%0.39358%0.584SS.*Hα-helixtrans-50.9-49.6169.6-71.4155.8-154.200110.4N472 S478 Q479 D480N472-E476 PolarHBondContact ND2-OE1 3.03Å; N472-E476 WeakPolarHBondContact O-CB 3.42Å; N472-E476 VanDerWaalsContact O-CD 3.27Å; N472-E476 WeakPolarHBondContact O-CG 3.28Å; N472-E476 PolarHBondContact O-N 3.29Å; E476-S478 VanDerWaalsContact C-N 3.27Å; E476-S478 PolarHBondContact O-N 2.84Å; E476-Q479 PolarHBondContact O-N 3.25Å; E476-D480 PolarHBondContact O-N 3.25Å
477K57.5Low68.3Low121 Ų121121.1 Ų121.153%0.52658%0.578SS.*Hα-helixtrans-75-11.7-176-164.9176.3-179.1-56.10114.2K473 Q474 T475 E481K473-K477 WeakPolarHBondContact O-CB 3.35Å; Q474-K477 CarbonylContact O-C 3.52Å; Q474-K477 PolarHBondContact O-N 3.47Å; T475-K477 VanDerWaalsContact C-N 3.28Å; T475-K477 PolarHBondContact O-N 3.11Å; K477-E481 VanDerWaalsContact CE-OE1 3.29Å; K477-E481 WeakPolarHBondContact CE-OE1 3.41Å; K477-E481 IonicContact NZ-OE1 2.63Å; K477-E481 PolarHBondContact NZ-OE1 3.31Å
478S54.2Low68Low92 Ų92116.1 Ų116.164%0.64355%0.552SS**Hα-helixtrans-91.1-9.316749.80000113.6Q474 T475 E476Q474-S478 PolarHBondContact O-N 3.22Å; Q474-S478 PolarHBondContact O-OG 2.93Å; T475-S478 WeakPolarHBondContact CA-OG 3.4Å; T475-S478 PolarHBondContact O-N 3.28Å; T475-S478 VanDerWaalsContact O-N 3.14Å; T475-S478 PolarHBondContact O-OG 3.38Å; E476-S478 VanDerWaalsContact C-N 3.27Å; E476-S478 PolarHBondContact O-N 2.84Å
479Q54Low67.4Low152 Ų152111.7 Ų111.771%0.7155%0.552SS**Hα-helixtrans-101.5-28.9176-68.7174.6-47.200111.7T475 E476T475-Q479 PolarHBondContact O-N 3.14Å; E476-Q479 PolarHBondContact O-N 3.25Å
480D52Low66.8Low134 Ų134107 Ų10772%0.71755%0.545SS*.SBendtrans-93.67.6-176.6-70.5-17.7000116.2E476E476-D480 PolarHBondContact O-N 3.25Å
481E51.8Low66.6Low97 Ų97104.4 Ų104.445%0.45354%0.535SS..SBendtrans-116.41.9-173.6-91.6-157.9-134.200117.9K477 R485K477-E481 VanDerWaalsContact CE-OE1 3.29Å; K477-E481 WeakPolarHBondContact CE-OE1 3.41Å; K477-E481 IonicContact NZ-OE1 2.63Å; K477-E481 PolarHBondContact NZ-OE1 3.31Å; E481-R485 IonicContact OE2-NH2 2.99Å
482E54.4Low66.3Low187 Ų187100.4 Ų100.487%0.87452%0.521SS*.SBendtrans-83.5-34.8179-161.998-132.800113
483E59.4Low66.4Low172 Ų172103.8 Ų103.880%0.80453%0.526SS*.SBendtrans-118.8174.8-175.1-62.3-160.9141.100114.8R485E483-R485 PolarHBondContact O-N 3.08Å
484D59.8Low66.5Low104 Ų104105.7 Ų105.756%0.55653%0.53SS*.  trans62.831172.4-140.430.8000118.5T486 P498D484-T486 PolarHBondContact O-N 3.04Å; D484-T486 VanDerWaalsContact O-N 3.14Å; D484-P498 WeakPolarHBondContact OD2-CD 3.45Å; D484-P498 WeakPolarHBondContact OD2-CG 3.45Å
485R63.4Low67Low164 Ų164101 Ų10162%0.61951%0.508SS*.  trans-73.794.9159.3-68.4-173.4-176.3-178.14.2110.3E481 E483 W494E481-R485 IonicContact OE2-NH2 2.99Å; E483-R485 PolarHBondContact O-N 3.08Å; R485-W494 HydrophobicContact CB-CE3 4.16Å; R485-W494 HydrophobicContact CB-CZ3 4.47Å; R485-W494 VanDerWaalsContact O-CZ3 3.24Å; R485-W494 WeakPolarHBondContact O-CZ3 3.43Å
486T73.4Confident67.6Low17 Ų17102.6 Ų102.610%0.10452%0.521CS..EExtended strand (participates in β ladder)trans-86.7134.2-176.635.70000113D484 F495 P498D484-T486 PolarHBondContact O-N 3.04Å; D484-T486 VanDerWaalsContact O-N 3.14Å; T486-F495 PolarHBondContact N-O 3.24Å; T486-F495 VanDerWaalsContact N-O 3.13Å; T486-F495 PolarHBondContact O-N 2.91Å; T486-F495 PolarHBondContact OG1-O 3.13Å; T486-P498 HydrophobicContact CG2-CB 4.41Å; T486-P498 HydrophobicContact CG2-CG 3.93Å; T486-P498 WeakPolarHBondContact OG1-CA 3.47Å
487K81Confident68.5Low117 Ų117100.3 Ų100.351%0.50952%0.515SS..EExtended strand (participates in β ladder)trans-96.6134.7177.5-174.1-177.5173.3-1710110.6R493 W494 R501K487-R493 WeakPolarHBondContact CA-O 3.44Å; K487-W494 HydrophobicContact CB-CD2 4.18Å; K487-W494 HydrophobicContact CB-CE3 3.99Å; K487-W494 HydrophobicContact CB-CH2 4.42Å; K487-W494 HydrophobicContact CB-CZ3 4.12Å; K487-W494 HydrophobicContact CD-CZ2 4.16Å; K487-W494 HydrophobicContact CG-CD2 4.46Å; K487-R501 WeakPolarHBondContact O-CD 3.17Å
488C82.2Confident69.4Low0 Ų096.1 Ų96.10%050%0.5CS..PPolyproline II helixtrans-71.6127.8170.7167.80000110.6T490 C491 G492 R493 F495 R501 E505C488-T490 PolarHBondContact SG-OG1 3.12Å; C488-C491 PolarHBondContact SG-SG 3.28Å; C488-G492 WeakPolarHBondContact O-CA 3.45Å; C488-G492 PolarHBondContact O-N 3.32Å; C488-R493 WeakPolarHBondContact CB-O 3.32Å; C488-R493 PolarHBondContact N-O 3.26Å; C488-F495 HydrophobicContact CB-CD2 4.25Å; C488-F495 HydrophobicContact CB-CE2 3.67Å; C488-R501 HydrophobicContact CB-CG 4.01Å; C488-E505 VanDerWaalsContact CA-OE1 3.28Å; C488-E505 WeakPolarHBondContact CA-OE1 3.41Å; C488-E505 HydrophobicContact CB-CG 4.28Å; C488-E505 WeakPolarHBondContact SG-CG 3.17Å
489G74.4Confident70.5Confident70 Ų70101.8 Ų101.872%0.72251%0.507SS*.THydrogen-bonded Turntrans-66.8-37.5-178.600000113.3E505G489-E505 PolarHBondContact N-OE1 3.01Å
490T74.1Confident71.7Confident92 Ų92100.1 Ų100.156%0.56450%0.498SS*.THydrogen-bonded Turntrans-84.7-24.4-17251.30000115C488 H508C488-T490 PolarHBondContact SG-OG1 3.12Å; T490-H508 PolarHBondContact OG1-CD2 3.35Å
491C81.3Confident73.3Confident54 Ų5496.7 Ų96.737%0.36548%0.475SS..THydrogen-bonded Turntrans-132.73.2177.672.10000115.5C488 R493 H504 H508C488-C491 PolarHBondContact SG-SG 3.28Å; C491-R493 PolarHBondContact O-N 2.87Å; C491-R493 VanDerWaalsContact O-N 3.08Å; C491-H504 PolarHBondContact SG-CE1 3.17Å; C491-H508 WeakPolarHBondContact CB-NE2 3.46Å; C491-H508 PolarHBondContact SG-NE2 3.42Å
492G76.7Confident74.6Confident27 Ų2794.9 Ų94.928%0.27847%0.468SS..  trans68.14.817600000116.4C488C488-G492 WeakPolarHBondContact O-CA 3.45Å; C488-G492 PolarHBondContact O-N 3.32Å
493R78.4Confident76.1Confident163 Ų16393.7 Ų93.762%0.61546%0.46SS*.  trans-67.9142.2175.8-78.1-173.8168.6-160.1-3.5111.8K487 C488 C491 F495K487-R493 WeakPolarHBondContact CA-O 3.44Å; C488-R493 WeakPolarHBondContact CB-O 3.32Å; C488-R493 PolarHBondContact N-O 3.26Å; C491-R493 PolarHBondContact O-N 2.87Å; C491-R493 VanDerWaalsContact O-N 3.08Å; R493-F495 HydrophobicContact CB-CD2 4.49Å; R493-F495 HydrophobicContact CB-CE2 3.53Å; R493-F495 HydrophobicContact CB-CZ 3.77Å; R493-F495 WeakPolarHBondContact O-CD2 3.3Å; R493-F495 VanDerWaalsContact O-CE2 3.27Å; R493-F495 WeakPolarHBondContact O-CE2 3.41Å
494W77.4Confident77.2Confident174 Ų17487.4 Ų87.466%0.65943%0.431SS*.EExtended strand (participates in β ladder)trans-92.5140.8175.5-63.889.1000111.4R485 K487R485-W494 HydrophobicContact CB-CE3 4.16Å; R485-W494 HydrophobicContact CB-CZ3 4.47Å; R485-W494 VanDerWaalsContact O-CZ3 3.24Å; R485-W494 WeakPolarHBondContact O-CZ3 3.43Å; K487-W494 HydrophobicContact CB-CD2 4.18Å; K487-W494 HydrophobicContact CB-CE3 3.99Å; K487-W494 HydrophobicContact CB-CH2 4.42Å; K487-W494 HydrophobicContact CB-CZ3 4.12Å; K487-W494 HydrophobicContact CD-CZ2 4.16Å; K487-W494 HydrophobicContact CG-CD2 4.46Å
495F79.4Confident78.3Confident35 Ų3584.9 Ų84.915%0.15442%0.416CS..EExtended strand (participates in β ladder)trans-130.4136.8-178.1-64.5-89.1000111.4T486 C488 R493 S497 K500 R501 H504T486-F495 PolarHBondContact N-O 3.24Å; T486-F495 VanDerWaalsContact N-O 3.13Å; T486-F495 PolarHBondContact O-N 2.91Å; T486-F495 PolarHBondContact OG1-O 3.13Å; C488-F495 HydrophobicContact CB-CD2 4.25Å; C488-F495 HydrophobicContact CB-CE2 3.67Å; R493-F495 HydrophobicContact CB-CD2 4.49Å; R493-F495 HydrophobicContact CB-CE2 3.53Å; R493-F495 HydrophobicContact CB-CZ 3.77Å; R493-F495 WeakPolarHBondContact O-CD2 3.3Å; R493-F495 VanDerWaalsContact O-CE2 3.27Å; R493-F495 WeakPolarHBondContact O-CE2 3.41Å; F495-S497 PolarHBondContact O-N 2.85Å; F495-K500 HydrophobicContact CB-CB 4.16Å; F495-K500 HydrophobicContact CD1-CB 4.01Å; F495-K500 HydrophobicContact CG-CB 4.43Å; F495-R501 HydrophobicContact CB-CB 4.08Å; F495-R501 HydrophobicContact CD2-CB 3.77Å; F495-R501 HydrophobicContact CD2-CG 4.22Å; F495-R501 HydrophobicContact CG-CB 4.04Å; F495-H504 HydrophobicContact CE1-CB 4.01Å; F495-H504 AromaticContact CE1-CD2 3.71Å; F495-H504 AromaticContact CE1-CG 3.98Å; F495-H504 HydrophobicContact CE2-CB 4.37Å; F495-H504 HydrophobicContact CZ-CB 3.75Å; F495-H504 AromaticContact CZ-CD2 3.34Å; F495-H504 WeakPolarHBondContact CZ-CD2 3.32Å; F495-H504 AromaticContact CZ-CG 3.42Å; F495-H504 VanDerWaalsContact CZ-CG 3.42Å; F495-H504 AromaticContact CZ-ND1 3.93Å; F495-H504 AromaticContact CZ-NE2 3.8Å
496S75.6Confident79.1Confident98 Ų9882.1 Ų82.169%0.68541%0.413SS*.SBendtrans-81.446.7176.6-31.30000111.8K500S496-K500 PolarHBondContact O-NZ 3.19Å
497S77.8Confident79.2Confident37 Ų3783.3 Ų83.326%0.25942%0.422SS..SBendtrans160.2137.1170.2172.10000109.6F495 R499 K500 R501F495-S497 PolarHBondContact O-N 2.85Å; S497-R499 VanDerWaalsContact C-N 3.32Å; S497-R499 PolarHBondContact O-N 2.79Å; S497-R499 PolarHBondContact OG-N 2.91Å; S497-K500 WeakPolarHBondContact O-CB 3.43Å; S497-K500 PolarHBondContact O-N 2.85Å; S497-R501 PolarHBondContact O-N 3.17Å
498P76.4Confident79Confident33 Ų3380.3 Ų80.321%0.21441%0.409CS..Hα-helixtrans-47.7-50.9173.2-27.531.7000112.6D484 T486 K500 R501 D502D484-P498 WeakPolarHBondContact OD2-CD 3.45Å; D484-P498 WeakPolarHBondContact OD2-CG 3.45Å; T486-P498 HydrophobicContact CG2-CB 4.41Å; T486-P498 HydrophobicContact CG2-CG 3.93Å; T486-P498 WeakPolarHBondContact OG1-CA 3.47Å; P498-K500 PolarHBondContact O-N 2.96Å; P498-R501 CarbonylContact O-C 3.55Å; P498-R501 WeakPolarHBondContact O-CA 3.39Å; P498-R501 VanDerWaalsContact O-CB 3.32Å; P498-R501 WeakPolarHBondContact O-CB 3.43Å; P498-R501 PolarHBondContact O-N 3.34Å; P498-D502 PolarHBondContact O-N 2.9Å; P498-D502 VanDerWaalsContact O-OD1 3.06Å; P498-D502 VanDerWaalsContact O-OD2 3.05Å
499R77.7Confident78.3Confident211 Ų21186.4 Ų86.480%0.79644%0.441SS*.Hα-helixtrans-58-17-178.4-61.1-178-178.4179.71.3114.7S497 D502 K503S497-R499 VanDerWaalsContact C-N 3.32Å; S497-R499 PolarHBondContact O-N 2.79Å; S497-R499 PolarHBondContact OG-N 2.91Å; R499-D502 PolarHBondContact N-OD2 3.46Å; R499-K503 WeakPolarHBondContact O-CB 3.37Å
500K80.1Confident77.8Confident116 Ų11689.7 Ų89.750%0.50444%0.442SS..Hα-helixtrans-89.1-36.5173.4-63.9170.7-170.1155.40112F495 S496 S497 P498 H504F495-K500 HydrophobicContact CB-CB 4.16Å; F495-K500 HydrophobicContact CD1-CB 4.01Å; F495-K500 HydrophobicContact CG-CB 4.43Å; S496-K500 PolarHBondContact O-NZ 3.19Å; S497-K500 WeakPolarHBondContact O-CB 3.43Å; S497-K500 PolarHBondContact O-N 2.85Å; P498-K500 PolarHBondContact O-N 2.96Å; K500-H504 WeakPolarHBondContact O-CB 3.44Å; K500-H504 PolarHBondContact O-N 3.14Å
501R84.4Confident76.7Confident62 Ų6291 Ų9123%0.23445%0.445CS..Hα-helixtrans-62.6-54.4169.6174.6-159.457.5-160.1-7.9110.1K487 C488 F495 S497 P498 K503 H504 E505K487-R501 WeakPolarHBondContact O-CD 3.17Å; C488-R501 HydrophobicContact CB-CG 4.01Å; F495-R501 HydrophobicContact CB-CB 4.08Å; F495-R501 HydrophobicContact CD2-CB 3.77Å; F495-R501 HydrophobicContact CD2-CG 4.22Å; F495-R501 HydrophobicContact CG-CB 4.04Å; S497-R501 PolarHBondContact O-N 3.17Å; P498-R501 CarbonylContact O-C 3.55Å; P498-R501 WeakPolarHBondContact O-CA 3.39Å; P498-R501 VanDerWaalsContact O-CB 3.32Å; P498-R501 WeakPolarHBondContact O-CB 3.43Å; P498-R501 PolarHBondContact O-N 3.34Å; R501-K503 PolarHBondContact O-N 2.88Å; R501-H504 CarbonylContact O-C 3.48Å; R501-H504 VanDerWaalsContact O-CA 3.31Å; R501-H504 WeakPolarHBondContact O-CA 3.11Å; R501-H504 VanDerWaalsContact O-CB 3.28Å; R501-H504 WeakPolarHBondContact O-CB 3.33Å; R501-H504 PolarHBondContact O-N 3Å; R501-E505 HydrophobicContact CG-CG 4.33Å; R501-E505 IonicContact NE-OE2 2.72Å; R501-E505 PolarHBondContact O-N 3.33Å
502D80.1Confident75.1Confident60 Ų6095.3 Ų95.332%0.32147%0.465SS..Hα-helixtrans-61.1-39-171.2-40.1-32.5000110.7P498 R499 H504 E505 L506P498-D502 PolarHBondContact O-N 2.9Å; P498-D502 VanDerWaalsContact O-OD1 3.06Å; P498-D502 VanDerWaalsContact O-OD2 3.05Å; R499-D502 PolarHBondContact N-OD2 3.46Å; D502-H504 VanDerWaalsContact C-N 3.28Å; D502-H504 PolarHBondContact O-N 2.98Å; D502-E505 PolarHBondContact O-N 3.22Å; D502-L506 PolarHBondContact O-N 3.24Å
503K84.8Confident73.2Confident161 Ų16198.6 Ų98.670%0.748%0.483SS*.Hα-helixtrans-67.8-23.4173.9-171.6167.8-175.7171.20113.9R499 R501R499-K503 WeakPolarHBondContact O-CB 3.37Å; R501-K503 PolarHBondContact O-N 2.88Å
504H83.8Confident71.1Confident41 Ų4196.2 Ų96.219%0.1949%0.491CS..Hα-helixtrans-86.6-31.9174.7-174-69.3000111.9C491 F495 K500 R501 D502 L506 S507 H508C491-H504 PolarHBondContact SG-CE1 3.17Å; F495-H504 HydrophobicContact CE1-CB 4.01Å; F495-H504 AromaticContact CE1-CD2 3.71Å; F495-H504 AromaticContact CE1-CG 3.98Å; F495-H504 HydrophobicContact CE2-CB 4.37Å; F495-H504 HydrophobicContact CZ-CB 3.75Å; F495-H504 AromaticContact CZ-CD2 3.34Å; F495-H504 WeakPolarHBondContact CZ-CD2 3.32Å; F495-H504 AromaticContact CZ-CG 3.42Å; F495-H504 VanDerWaalsContact CZ-CG 3.42Å; F495-H504 AromaticContact CZ-ND1 3.93Å; F495-H504 AromaticContact CZ-NE2 3.8Å; K500-H504 WeakPolarHBondContact O-CB 3.44Å; K500-H504 PolarHBondContact O-N 3.14Å; R501-H504 CarbonylContact O-C 3.48Å; R501-H504 VanDerWaalsContact O-CA 3.31Å; R501-H504 WeakPolarHBondContact O-CA 3.11Å; R501-H504 VanDerWaalsContact O-CB 3.28Å; R501-H504 WeakPolarHBondContact O-CB 3.33Å; R501-H504 PolarHBondContact O-N 3Å; D502-H504 VanDerWaalsContact C-N 3.28Å; D502-H504 PolarHBondContact O-N 2.98Å; H504-L506 VanDerWaalsContact C-N 3.35Å; H504-S507 WeakPolarHBondContact CA-OG 3.46Å; H504-S507 PolarHBondContact O-N 2.93Å; H504-S507 PolarHBondContact O-OG 3.37Å; H504-H508 AromaticContact CE1-CD2 3.9Å; H504-H508 AromaticContact CE1-NE2 3.23Å; H504-H508 PolarHBondContact CE1-NE2 3.27Å; H504-H508 AromaticContact ND1-CD2 3.61Å; H504-H508 AromaticContact ND1-NE2 3.43Å; H504-H508 PolarHBondContact ND1-NE2 3.02Å; H504-H508 PolarHBondContact O-CD2 3.04Å; H504-H508 VanDerWaalsContact O-CD2 3.29Å; H504-H508 PolarHBondContact O-N 3.22Å
505E81.4Confident69.9Low50 Ų5094.2 Ų94.223%0.23450%0.501CS..Hα-helixtrans-66.7-39.1169.8-73169.5153.500110.6C488 G489 R501 D502 S507 H508 L509C488-E505 VanDerWaalsContact CA-OE1 3.28Å; C488-E505 WeakPolarHBondContact CA-OE1 3.41Å; C488-E505 HydrophobicContact CB-CG 4.28Å; C488-E505 WeakPolarHBondContact SG-CG 3.17Å; G489-E505 PolarHBondContact N-OE1 3.01Å; R501-E505 HydrophobicContact CG-CG 4.33Å; R501-E505 IonicContact NE-OE2 2.72Å; R501-E505 PolarHBondContact O-N 3.33Å; D502-E505 PolarHBondContact O-N 3.22Å; E505-S507 PolarHBondContact O-N 3.11Å; E505-H508 WeakPolarHBondContact O-CB 3.13Å; E505-H508 PolarHBondContact O-N 2.95Å; E505-L509 PolarHBondContact O-N 2.94Å
506L80.7Confident67.6Low107 Ų10799.9 Ų99.956%0.5653%0.533SS*.Hα-helixtrans-58.3-27.9169.2-84.3159.5000114.3D502 H504 L510D502-L506 PolarHBondContact O-N 3.24Å; H504-L506 VanDerWaalsContact C-N 3.35Å; L506-L510 WeakPolarHBondContact O-CG 3.36Å
507S75.8Confident66.2Low42 Ų42106.7 Ų106.729%0.29454%0.543SS..Hα-helixtrans-73.7-35.2169.5310000113.1H504 E505 L509 L510 D511H504-S507 WeakPolarHBondContact CA-OG 3.46Å; H504-S507 PolarHBondContact O-N 2.93Å; H504-S507 PolarHBondContact O-OG 3.37Å; E505-S507 PolarHBondContact O-N 3.11Å; S507-L509 VanDerWaalsContact C-N 3.27Å; S507-L509 PolarHBondContact O-N 3.35Å; S507-L510 PolarHBondContact O-N 3.21Å; S507-D511 PolarHBondContact O-N 3.24Å
508H76.9Confident64.4Low53 Ų53112.6 Ų112.625%0.24557%0.571CS.*Hα-helixtrans-64-32.8174.8-74.7-70.7000112.8T490 C491 H504 E505 L510T490-H508 PolarHBondContact OG1-CD2 3.35Å; C491-H508 WeakPolarHBondContact CB-NE2 3.46Å; C491-H508 PolarHBondContact SG-NE2 3.42Å; H504-H508 AromaticContact CE1-CD2 3.9Å; H504-H508 AromaticContact CE1-NE2 3.23Å; H504-H508 PolarHBondContact CE1-NE2 3.27Å; H504-H508 AromaticContact ND1-CD2 3.61Å; H504-H508 AromaticContact ND1-NE2 3.43Å; H504-H508 PolarHBondContact ND1-NE2 3.02Å; H504-H508 PolarHBondContact O-CD2 3.04Å; H504-H508 VanDerWaalsContact O-CD2 3.29Å; H504-H508 PolarHBondContact O-N 3.22Å; E505-H508 WeakPolarHBondContact O-CB 3.13Å; E505-H508 PolarHBondContact O-N 2.95Å; H508-L510 PolarHBondContact O-N 2.89Å
509L66.7Low62.3Low128 Ų128115.6 Ų115.667%0.6759%0.593SS**THydrogen-bonded Turntrans-69.4-19.8173.5-62178.1000113.5E505 S507E505-L509 PolarHBondContact O-N 2.94Å; S507-L509 VanDerWaalsContact C-N 3.27Å; S507-L509 PolarHBondContact O-N 3.35Å
510L64.5Low60.8Low140 Ų140116.7 Ų116.773%0.73360%0.597SS**THydrogen-bonded Turntrans-93.7-30.1176.4-67.5168000112.7L506 S507 H508L506-L510 WeakPolarHBondContact O-CG 3.36Å; S507-L510 PolarHBondContact O-N 3.21Å; H508-L510 PolarHBondContact O-N 2.89Å
511D51.9Low58.8Low118 Ų118122.2 Ų122.263%0.63162%0.615SS**  trans-87.53.4-176.3-71.2-27.9000114S507 S513S507-D511 PolarHBondContact O-N 3.24Å; D511-S513 PolarHBondContact O-N 2.99Å
512N46.8Very low56.7Low146 Ų146124.3 Ų124.378%0.78165%0.646SS**  trans-71.328.1175.3-91.3-3.2000114.3
513S37.1Very low55.5Low96 Ų96126.2 Ų126.267%0.67166%0.656SS**SBendtrans-126.1116.7165.257.70000108.9D511D511-S513 PolarHBondContact O-N 2.99Å
514S34.5Very low54.5Low112 Ų112122.1 Ų122.178%0.78365%0.647SS**  trans-59.8145.4-161.1-62.80000114.8N516S514-N516 PolarHBondContact O-N 2.91Å
515P50.7Low54.1Low133 Ų133129.7 Ų129.786%0.86467%0.674SS**  trans-8179.3-160.333-38.3000113.7
516N32.5Very low54.1Low153 Ų153129.9 Ų129.982%0.81868%0.675SS**  trans-86.6132.3174.3-136-21.6000111.9S514 L518S514-N516 PolarHBondContact O-N 2.91Å; N516-L518 PolarHBondContact O-N 3.44Å
517R46.8Very low54.4Low241 Ų241128.5 Ų128.591%0.90967%0.671SS**  trans-77.385.1-167.9-71.8-174.1176.4-162.62.5113.2
518L39.9Very low54.9Low161 Ų161126.5 Ų126.584%0.84366%0.657SS**  trans-128.7129.2170-73177.2000114.8N516N516-L518 PolarHBondContact O-N 3.44Å
519S31.2Very low55Low97 Ų97128.5 Ų128.568%0.67867%0.674SS**  trans44.9119150.1-151.40000121.5R521S519-R521 PolarHBondContact O-N 3.5Å
520R45.4Very low55.5Low234 Ų234126.3 Ų126.388%0.88366%0.661SS**SBendtrans21.1101.8134.5-50.4174.5-158.6-109.90.3116.6A522R520-A522 PolarHBondContact O-N 3.49Å
521R40Very low56.5Low231 Ų231121.4 Ų121.487%0.87264%0.638SS**  trans17.1102.3157.9-75.8-177.8174.7154.30.2115.2S519 L523S519-R521 PolarHBondContact O-N 3.5Å; R521-L523 PolarHBondContact O-N 3.18Å
522A39.4Very low57.9Low107 Ų107122.7 Ų122.788%0.88464%0.64SS**  trans-59105.7162.300000109.8R520 S524R520-A522 PolarHBondContact O-N 3.49Å; A522-S524 PolarHBondContact O-N 2.98Å
523L55.1Low59.8Low100 Ų100122 Ų12252%0.52463%0.63SS.*  trans-78.5105.3165.8-80.193000107.8R521 R525 K536R521-L523 PolarHBondContact O-N 3.18Å; L523-R525 PolarHBondContact O-N 3.38Å; L523-K536 HydrophobicContact CD2-CD 4.21Å; L523-K536 HydrophobicContact CD2-CG 3.77Å
524S64Low62.3Low74 Ų74121.5 Ų121.552%0.51762%0.622SS.*  trans-54.5109.7167.950.10000109.6A522 H526A522-S524 PolarHBondContact O-N 2.98Å; S524-H526 PolarHBondContact O-CD2 3.01Å; S524-H526 PolarHBondContact O-N 2.93Å; S524-H526 PolarHBondContact O-NE2 3.1Å; S524-H526 PolarHBondContact OG-NE2 2.91Å
525R74.3Confident64.7Low201 Ų201116.8 Ų116.876%0.75859%0.589SS**  trans-83.998.3-179.6-76.3-174.8179.7-162.83.1108.5L523 T527 V534L523-R525 PolarHBondContact O-N 3.38Å; R525-T527 PolarHBondContact O-N 3.41Å; R525-V534 HydrophobicContact CB-CG1 3.67Å; R525-V534 HydrophobicContact CG-CG1 3.8Å
526H81.7Confident66.2Low53 Ų53118.2 Ų118.225%0.24558%0.582CS.*EExtended strand (participates in β ladder)trans-83.995.6-175.3-60-83.9000110.4S524 C535 S538 L541S524-H526 PolarHBondContact O-CD2 3.01Å; S524-H526 PolarHBondContact O-N 2.93Å; S524-H526 PolarHBondContact O-NE2 3.1Å; S524-H526 PolarHBondContact OG-NE2 2.91Å; H526-C535 HydrophobicContact CB-CB 4.3Å; H526-C535 PolarHBondContact N-O 3.42Å; H526-C535 WeakPolarHBondContact O-CA 3.38Å; H526-C535 WeakPolarHBondContact O-CB 3.41Å; H526-C535 PolarHBondContact O-N 2.96Å; H526-S538 PolarHBondContact CD2-N 3.28Å; H526-S538 VanDerWaalsContact CD2-N 3.27Å; H526-S538 PolarHBondContact NE2-N 3.15Å; H526-L541 HydrophobicContact CB-CB 4.02Å; H526-L541 HydrophobicContact CB-CD2 3.87Å
527T86.5Confident68.8Low79 Ų79114.5 Ų114.549%0.48557%0.565SS.*EExtended strand (participates in β ladder)trans-70.2139.9176.736.70000112.1R525 V534R525-T527 PolarHBondContact O-N 3.41Å; T527-V534 HydrophobicContact CG2-CG2 3.83Å
528C86.1Confident70.6Confident0 Ų0106.1 Ų106.10%054%0.543CS..  trans-79.5124.1170.4-173.90000110.4Q530 C531 H532 K533 L541C528-Q530 VanDerWaalsContact C-N 3.26Å; C528-Q530 PolarHBondContact O-N 3.01Å; C528-C531 PolarHBondContact O-N 3.36Å; C528-H532 WeakPolarHBondContact O-CA 3.45Å; C528-H532 PolarHBondContact O-N 3.26Å; C528-K533 PolarHBondContact N-O 3Å; C528-L541 HydrophobicContact CB-CD1 3.81Å
529P80.9Confident72.8Confident94 Ų94102 Ų10261%0.6153%0.527SS*.THydrogen-bonded Turntrans-66.1-28.2-179.425.7-33.6000112.8
530Q76.8Confident75.4Confident83 Ų8399.2 Ų99.239%0.38851%0.511SS..THydrogen-bonded Turntrans-89.9-5.5-175.7-65.4179.1-4.900114.9C528C528-Q530 VanDerWaalsContact C-N 3.26Å; C528-Q530 PolarHBondContact O-N 3.01Å
531C84.2Confident77.5Confident36 Ų3689.4 Ų89.424%0.24348%0.476CS..THydrogen-bonded Turntrans-159.418.6171.369.80000115.4C528 K533 H544 H548C528-C531 PolarHBondContact O-N 3.36Å; C531-K533 PolarHBondContact O-N 2.87Å; C531-H544 VanDerWaalsContact SG-CE1 3.52Å; C531-H544 PolarHBondContact SG-NE2 3.47Å; C531-H544 VanDerWaalsContact SG-NE2 3.37Å; C531-H548 WeakPolarHBondContact CB-NE2 3.29Å; C531-H548 PolarHBondContact SG-NE2 2.87Å
532H82.3Confident79.6Confident146 Ų14682 Ų8268%0.67646%0.456SS*.  trans55.16.4177.6-56.1-80000117.5C528 V534C528-H532 WeakPolarHBondContact O-CA 3.45Å; C528-H532 PolarHBondContact O-N 3.26Å; H532-V534 PolarHBondContact O-N 3.26Å
533K87.3Confident81.9Confident132 Ų13285.6 Ų85.657%0.57445%0.447SS*.  trans-66123-179.3-72.6-179.1-176.8177.90112.4C528 C531 C535 H544C528-K533 PolarHBondContact N-O 3Å; C531-K533 PolarHBondContact O-N 2.87Å; K533-C535 PolarHBondContact O-N 3.01Å; K533-H544 WeakPolarHBondContact CB-NE2 3.46Å
534V88Confident83.5Confident85 Ų8582.5 Ų82.552%0.51543%0.43SS..EExtended strand (participates in β ladder)trans-72.9111.3177.9175.90000110.8R525 T527 H532R525-V534 HydrophobicContact CB-CG1 3.67Å; R525-V534 HydrophobicContact CG-CG1 3.8Å; T527-V534 HydrophobicContact CG2-CG2 3.83Å; H532-V534 PolarHBondContact O-N 3.26Å
535C86.5Confident84.6Confident13 Ų1381.3 Ų81.39%0.08842%0.417CS..EExtended strand (participates in β ladder)trans-90.7141.1172-63.70000111H526 K533 T537 A540 L541H526-C535 HydrophobicContact CB-CB 4.3Å; H526-C535 PolarHBondContact N-O 3.42Å; H526-C535 WeakPolarHBondContact O-CA 3.38Å; H526-C535 WeakPolarHBondContact O-CB 3.41Å; H526-C535 PolarHBondContact O-N 2.96Å; K533-C535 PolarHBondContact O-N 3.01Å; C535-T537 VanDerWaalsContact C-N 3.35Å; C535-T537 PolarHBondContact O-N 3.47Å; C535-A540 HydrophobicContact CB-CB 4.19Å; C535-L541 HydrophobicContact CB-CB 3.86Å
536K81.4Confident85.1Confident163 Ų16379.7 Ų79.771%0.70941%0.411SS*.SBendtrans-83.2-8.5-172.9-159.3166.9-175.41720114.3L523L523-K536 HydrophobicContact CD2-CD 4.21Å; L523-K536 HydrophobicContact CD2-CG 3.77Å
537T87Confident85.1Confident75 Ų7585.5 Ų85.546%0.4643%0.431SS..SBendtrans-151156.5172.160.40000109.5C535 S539 A540 L541C535-T537 VanDerWaalsContact C-N 3.35Å; C535-T537 PolarHBondContact O-N 3.47Å; T537-S539 VanDerWaalsContact C-N 3.33Å; T537-S539 PolarHBondContact O-N 3.16Å; T537-A540 WeakPolarHBondContact O-CB 3.45Å; T537-A540 PolarHBondContact O-N 3.4Å; T537-A540 VanDerWaalsContact O-N 3.09Å; T537-A540 WeakPolarHBondContact OG1-CB 3.48Å; T537-A540 PolarHBondContact OG1-N 3.22Å; T537-L541 PolarHBondContact O-N 3Å; T537-L541 VanDerWaalsContact O-N 3.12Å
538S83.9Confident84.9Confident64 Ų6484.2 Ų84.245%0.44842%0.419SS..Hα-helixtrans-55.6-45.6174.353.40000112.1H526 A540 L541 T542H526-S538 PolarHBondContact CD2-N 3.28Å; H526-S538 VanDerWaalsContact CD2-N 3.27Å; H526-S538 PolarHBondContact NE2-N 3.15Å; S538-A540 PolarHBondContact O-N 3.04Å; S538-L541 WeakPolarHBondContact O-CA 3.44Å; S538-L541 WeakPolarHBondContact O-CB 3.38Å; S538-L541 PolarHBondContact O-N 3.3Å; S538-T542 PolarHBondContact O-N 3.45Å; S538-T542 PolarHBondContact O-OG1 3.36Å; S538-T542 VanDerWaalsContact O-OG1 3.11Å
539S86.1Confident84.4Confident74 Ų7487.5 Ų87.552%0.51744%0.436SS..Hα-helixtrans-63.9-24178-34.70000113.7T537 R543T537-S539 VanDerWaalsContact C-N 3.33Å; T537-S539 PolarHBondContact O-N 3.16Å; S539-R543 WeakPolarHBondContact O-CG 3.47Å; S539-R543 PolarHBondContact O-N 3.45Å
540A86.2Confident83.7Confident40 Ų4089.7 Ų89.733%0.33144%0.442SS..Hα-helixtrans-77.1-36.5171.400000111.4C535 T537 S538 H544C535-A540 HydrophobicContact CB-CB 4.19Å; T537-A540 WeakPolarHBondContact O-CB 3.45Å; T537-A540 PolarHBondContact O-N 3.4Å; T537-A540 VanDerWaalsContact O-N 3.09Å; T537-A540 WeakPolarHBondContact OG1-CB 3.48Å; T537-A540 PolarHBondContact OG1-N 3.22Å; S538-A540 PolarHBondContact O-N 3.04Å; A540-H544 WeakPolarHBondContact O-CB 3.45Å; A540-H544 PolarHBondContact O-N 3.29Å; A540-H544 VanDerWaalsContact O-N 3.09Å
541L89Confident82.7Confident28 Ų2895.9 Ų95.915%0.14746%0.462CS..Hα-helixtrans-62.6-48.6171.7175.360.4000111.4H526 C528 C535 T537 S538 R543 H544 I545H526-L541 HydrophobicContact CB-CB 4.02Å; H526-L541 HydrophobicContact CB-CD2 3.87Å; C528-L541 HydrophobicContact CB-CD1 3.81Å; C535-L541 HydrophobicContact CB-CB 3.86Å; T537-L541 PolarHBondContact O-N 3Å; T537-L541 VanDerWaalsContact O-N 3.12Å; S538-L541 WeakPolarHBondContact O-CA 3.44Å; S538-L541 WeakPolarHBondContact O-CB 3.38Å; S538-L541 PolarHBondContact O-N 3.3Å; L541-R543 VanDerWaalsContact C-N 3.3Å; L541-R543 PolarHBondContact O-N 3.36Å; L541-H544 CarbonylContact O-C 3.36Å; L541-H544 WeakPolarHBondContact O-CA 3.48Å; L541-H544 WeakPolarHBondContact O-CB 3.41Å; L541-H544 PolarHBondContact O-N 3.31Å; L541-I545 HydrophobicContact CD1-CD1 3.78Å; L541-I545 HydrophobicContact CD1-CG1 3.82Å; L541-I545 HydrophobicContact CD2-CD1 4.34Å; L541-I545 HydrophobicContact CG-CD1 3.8Å; L541-I545 HydrophobicContact CG-CG1 4.27Å; L541-I545 PolarHBondContact O-N 2.95Å
542T85.1Confident81.2Confident75 Ų7599.6 Ų99.646%0.4648%0.476SS..Hα-helixtrans-58.9-40.8179.8-41.50000112.2S538 H544 R546S538-T542 PolarHBondContact O-N 3.45Å; S538-T542 PolarHBondContact O-OG1 3.36Å; S538-T542 VanDerWaalsContact O-OG1 3.11Å; T542-H544 PolarHBondContact O-N 3.23Å; T542-R546 WeakPolarHBondContact O-CG 3.47Å; T542-R546 PolarHBondContact O-N 2.96Å
543R86.8Confident79.2Confident182 Ų18297.9 Ų97.969%0.68748%0.476SS*.Hα-helixtrans-70.9-17.9173.8-69.1-178.9-168.5-1463.5113.7S539 L541 R547S539-R543 WeakPolarHBondContact O-CG 3.47Å; S539-R543 PolarHBondContact O-N 3.45Å; L541-R543 VanDerWaalsContact C-N 3.3Å; L541-R543 PolarHBondContact O-N 3.36Å; R543-R547 WeakPolarHBondContact O-CD 3.48Å; R543-R547 WeakPolarHBondContact O-CG 3.47Å
544H89.8Confident77.3Confident35 Ų3596.8 Ų96.816%0.16248%0.482CS..Hα-helixtrans-86.3-44.7176.8-176.13.4000111.6C531 K533 A540 L541 T542 R546 R547 H548C531-H544 VanDerWaalsContact SG-CE1 3.52Å; C531-H544 PolarHBondContact SG-NE2 3.47Å; C531-H544 VanDerWaalsContact SG-NE2 3.37Å; K533-H544 WeakPolarHBondContact CB-NE2 3.46Å; A540-H544 WeakPolarHBondContact O-CB 3.45Å; A540-H544 PolarHBondContact O-N 3.29Å; A540-H544 VanDerWaalsContact O-N 3.09Å; L541-H544 CarbonylContact O-C 3.36Å; L541-H544 WeakPolarHBondContact O-CA 3.48Å; L541-H544 WeakPolarHBondContact O-CB 3.41Å; L541-H544 PolarHBondContact O-N 3.31Å; T542-H544 PolarHBondContact O-N 3.23Å; H544-R546 VanDerWaalsContact C-N 3.33Å; H544-R546 PolarHBondContact O-N 2.8Å; H544-R547 WeakPolarHBondContact O-CB 3.49Å; H544-R547 PolarHBondContact O-N 3.41Å; H544-H548 AromaticContact CE1-CD2 3.82Å; H544-H548 AromaticContact ND1-CD2 3.84Å; H544-H548 PolarHBondContact O-CD2 2.72Å
545I86.6Confident74.9Confident49 Ų4998.6 Ų98.625%0.25150%0.499SS..Hα-helixtrans-56.9-48.4173.9-64.8170.5000109.4L541 R547 H548 D549L541-I545 HydrophobicContact CD1-CD1 3.78Å; L541-I545 HydrophobicContact CD1-CG1 3.82Å; L541-I545 HydrophobicContact CD2-CD1 4.34Å; L541-I545 HydrophobicContact CG-CD1 3.8Å; L541-I545 HydrophobicContact CG-CG1 4.27Å; L541-I545 PolarHBondContact O-N 2.95Å; I545-R547 PolarHBondContact O-N 2.93Å; I545-H548 WeakPolarHBondContact O-CA 3.42Å; I545-H548 WeakPolarHBondContact O-CB 3.32Å; I545-H548 PolarHBondContact O-N 3.19Å; I545-D549 PolarHBondContact O-N 2.63Å; I545-D549 VanDerWaalsContact O-N 3.11Å
546R83.9Confident72.6Confident168 Ų168102.6 Ų102.663%0.63453%0.533SS*.Hα-helixtrans-56.5-12.9174.4-71.3-174.2-177.6-163.40.8116.2T542 H544 D549 L550T542-R546 WeakPolarHBondContact O-CG 3.47Å; T542-R546 PolarHBondContact O-N 2.96Å; H544-R546 VanDerWaalsContact C-N 3.33Å; H544-R546 PolarHBondContact O-N 2.8Å; R546-D549 VanDerWaalsContact CA-OD2 3.24Å; R546-D549 WeakPolarHBondContact CA-OD2 3.49Å; R546-D549 PolarHBondContact N-OD2 3.44Å; R546-L550 WeakPolarHBondContact O-CB 3.43Å; R546-L550 WeakPolarHBondContact O-CD1 3.44Å; R546-L550 VanDerWaalsContact O-CG 3.24Å; R546-L550 WeakPolarHBondContact O-CG 3.47Å; R546-L550 PolarHBondContact O-N 3.04Å
547R81.9Confident70.6Confident174 Ų174102.6 Ų102.666%0.65754%0.54SS*.Hα-helixtrans-92.8-12.9173.1-69.7170170.2-166.6-5.4113.8R543 H544 I545 R551R543-R547 WeakPolarHBondContact O-CD 3.48Å; R543-R547 WeakPolarHBondContact O-CG 3.47Å; H544-R547 WeakPolarHBondContact O-CB 3.49Å; H544-R547 PolarHBondContact O-N 3.41Å; I545-R547 PolarHBondContact O-N 2.93Å; R547-R551 WeakPolarHBondContact O-CD 3.45Å; R547-R551 WeakPolarHBondContact O-CG 3.37Å
548H82.9Confident67.9Low53 Ų53104.8 Ų104.825%0.24556%0.558CS.*Hα-helixtrans-86.1-41.6164.2-66.8-86000110.1C531 H544 I545 L550 R551 Q552C531-H548 WeakPolarHBondContact CB-NE2 3.29Å; C531-H548 PolarHBondContact SG-NE2 2.87Å; H544-H548 AromaticContact CE1-CD2 3.82Å; H544-H548 AromaticContact ND1-CD2 3.84Å; H544-H548 PolarHBondContact O-CD2 2.72Å; I545-H548 WeakPolarHBondContact O-CA 3.42Å; I545-H548 WeakPolarHBondContact O-CB 3.32Å; I545-H548 PolarHBondContact O-N 3.19Å; H548-L550 VanDerWaalsContact C-N 3.34Å; H548-L550 PolarHBondContact O-N 3.05Å; H548-R551 CarbonylContact O-C 3.6Å; H548-R551 VanDerWaalsContact O-CA 3.3Å; H548-R551 WeakPolarHBondContact O-CA 3.34Å; H548-R551 WeakPolarHBondContact O-CB 3.03Å; H548-R551 PolarHBondContact O-N 2.92Å; H548-Q552 WeakPolarHBondContact O-CG 3.1Å; H548-Q552 PolarHBondContact O-N 2.98Å
549D75.1Confident65.5Low68 Ų68108.3 Ų108.336%0.36458%0.576SS.*Hα-helixtrans-54.9-50.6174.9-46.4-19.7000110.3I545 R546 R551 Q552I545-D549 PolarHBondContact O-N 2.63Å; I545-D549 VanDerWaalsContact O-N 3.11Å; R546-D549 VanDerWaalsContact CA-OD2 3.24Å; R546-D549 WeakPolarHBondContact CA-OD2 3.49Å; R546-D549 PolarHBondContact N-OD2 3.44Å; D549-R551 PolarHBondContact O-N 2.71Å; D549-Q552 PolarHBondContact O-N 3.49Å
550L66.9Low62.9Low140 Ų140109.3 Ų109.373%0.73358%0.583SS**THydrogen-bonded Turntrans-7010.2172.3-66.7172.6000115.1R546 H548R546-L550 WeakPolarHBondContact O-CB 3.43Å; R546-L550 WeakPolarHBondContact O-CD1 3.44Å; R546-L550 VanDerWaalsContact O-CG 3.24Å; R546-L550 WeakPolarHBondContact O-CG 3.47Å; R546-L550 PolarHBondContact O-N 3.04Å; H548-L550 VanDerWaalsContact C-N 3.34Å; H548-L550 PolarHBondContact O-N 3.05Å
551R56.5Low60.2Low214 Ų214114.2 Ų114.281%0.80861%0.609SS**THydrogen-bonded Turntrans-123.9-7.7170.9-80.8-178161.4-128-7.7112.8R547 H548 D549R547-R551 WeakPolarHBondContact O-CD 3.45Å; R547-R551 WeakPolarHBondContact O-CG 3.37Å; H548-R551 CarbonylContact O-C 3.6Å; H548-R551 VanDerWaalsContact O-CA 3.3Å; H548-R551 WeakPolarHBondContact O-CA 3.34Å; H548-R551 WeakPolarHBondContact O-CB 3.03Å; H548-R551 PolarHBondContact O-N 2.92Å; D549-R551 PolarHBondContact O-N 2.71Å
552Q52.1Low57.5Low113 Ų113119.6 Ų119.653%0.52864%0.637SS.*SBendtrans-101.120.7177.6-72.2176.521.100111.9H548 D549 P554H548-Q552 WeakPolarHBondContact O-CG 3.1Å; H548-Q552 PolarHBondContact O-N 2.98Å; D549-Q552 PolarHBondContact O-N 3.49Å; Q552-P554 WeakPolarHBondContact O-CD 3.36Å
553T39.6Very low54.7Low110 Ų110120.9 Ų120.968%0.67565%0.648SS**  trans-102.277.2168.156.70000110.3
554P47.8Very low51.9Low110 Ų110122.9 Ų122.971%0.71466%0.657SS**  trans-65.3146.5161.931.7-33.3000108.9Q552 A556Q552-P554 WeakPolarHBondContact O-CD 3.36Å; P554-A556 PolarHBondContact O-N 2.96Å
555S37.2Very low49.1Very low122 Ų122126.1 Ų126.185%0.85368%0.684SS**  trans-70.797.4179.948.60000111.3L557S555-L557 PolarHBondContact O-N 3.42Å
556A38.6Very low46.8Very low97 Ų97129.7 Ų129.780%0.80271%0.71SS**  trans-89.569.217600000111.9P554P554-A556 PolarHBondContact O-N 2.96Å
557L38.9Very low45Very low164 Ų164126.9 Ų126.986%0.85971%0.714SS**  trans-130.8100.2155.9-77.5-179.7000107.7S555 V559S555-L557 PolarHBondContact O-N 3.42Å; L557-V559 PolarHBondContact O-N 3.18Å
558S31.6Very low42.3Very low120 Ų120127.5 Ų127.584%0.83972%0.724SS**  trans-78.9105.4179.649.40000110.5S560S558-S560 PolarHBondContact O-N 3.1Å
559V31.9Very low39.7Very low138 Ų138132.4 Ų132.484%0.83675%0.752SS**  trans-82.5110.9162.3-179.60000107.6L557 V561L557-V559 PolarHBondContact O-N 3.18Å; V559-V561 PolarHBondContact O-N 3.01Å
560S32.1Very low38.3Very low95 Ų95134.4 Ų134.466%0.66477%0.768SS**  trans-71.9121.217749.70000110.9S558S558-S560 PolarHBondContact O-N 3.1Å
561V30.3Very low36.5Very low144 Ų144133.8 Ų133.887%0.87378%0.775SS**  trans-73.6123.9166.5178.20000108.4V559V559-V561 PolarHBondContact O-N 3.01Å
562I31.7Very low35.2Very low141 Ų141126.6 Ų126.672%0.72377%0.768SS**  trans-123.7135.3166.9-64.6-178.9000107.2
563S26.6Very low34.2Very low101 Ų101125.5 Ų125.571%0.70678%0.779SS**  trans-74.7147.5-179.8-166.70000111.2
564Y28Very low33.8Very low224 Ų224127.3 Ų127.388%0.87879%0.789SS**  trans-98135.3165.8-88.5-88.7000110.6
565S30.1Very low33Very low103 Ų103125.2 Ų125.272%0.7279%0.788SS**  trans-147.3129.2164.1-62.90000106.9
566P39.2Very low32.8Very low124 Ų124126.3 Ų126.381%0.80578%0.784SS**  trans-97.6-174.2-172.744.2-39.6000110.6
567P45.8Very low32.4Very low109 Ų109130.9 Ų130.971%0.70879%0.785SS**  -130.5149.1-76.936.7-21000112.7
568E25.1Very low31.9Very low188 Ų188126.9 Ų126.988%0.87978%0.776SS**  trans-141.3156.2172.6-76.8-60.717000113.6
569L29.1Very low32Very low156 Ų156130.3 Ų130.382%0.81778%0.779SS**  trans-143.7169.5-179.9-95.9163.2000107.2
570P45.8Very low31.8Very low109 Ų109128.2 Ų128.271%0.70878%0.776SS**  cis-130.5-159.9-6.241-23.3000112.8
571S28.7Very low31.6Very low127 Ų127129 Ų12989%0.88878%0.782SS**  trans77.2143.6162.5-148.80000117.1
572G29.2Very low31.8Very low63 Ų63132 Ų13265%0.64978%0.778SS**  cis171172.4-8.400000114.2
573A30.3Very low31.8Very low91 Ų91132 Ų13275%0.75277%0.774SS**  trans62.5125.416100000122
574T32.2Very low31.8Very low147 Ų147131.5 Ų131.590%0.90277%0.767SS**  trans65.4145.7146.457.40000121
575G30.4Very low31.9Very low67 Ų67128.9 Ų128.969%0.69176%0.762SS**  cis166.2170-10.900000115.5
576L34Very low31.7Very low145 Ų145128.5 Ų128.576%0.75976%0.76SS**  trans60.7120.2155.8-61.7173.3000122
577K29.8Very low31.2Very low192 Ų192128 Ų12884%0.83576%0.759SS**  trans67.4162.1134.6-68.2176.6178174.80118.2
578A29.1Very low30.6Very low81 Ų81127.5 Ų127.567%0.66976%0.758SS**  cis-168.4-177.6-28.600000108.7
579Q32.7Very low30.9Very low192 Ų192127.8 Ų127.890%0.89776%0.76SS**  trans71.9123.7175.8-53.2175.8-8.400113.6
580A27.1Very low30.8Very low94 Ų94123.8 Ų123.878%0.77776%0.756SS**  cis84.8147.620.600000116.1
581S29.2Very low30.1Very low112 Ų112127 Ų12778%0.78377%0.766SS**  trans71.1147.3-176.8-71.90000116.6
582R34Very low30.2Very low207 Ų207128.1 Ų128.178%0.78176%0.762SS**  cis-170.2158.6-28.4-126.7178.5157.1160.8-3.6109.4
583Q30.7Very low30.2Very low140 Ų140137.2 Ų137.265%0.65478%0.777SS**  28.3146.7128.2-88-178.1-70.800121.2
584V28Very low30.1Very low91 Ų91140.6 Ų140.655%0.55278%0.781SS**  cis-178.9174.311.5630000113.4
585H29.1Very low29.9Very low168 Ų168140.4 Ų140.478%0.77878%0.78SS**  trans65.8164160.5-60.8-46.6000117.6
586S26.4Very low29.9Very low96 Ų96144.9 Ų144.967%0.67179%0.788SS**  cis-151.5145.1-0.61.40000108.3
587S27.9Very low30.7Very low114 Ų114143.2 Ų143.280%0.79779%0.785SS**  53.8144.58189.20000115
588S34.3Very low30.8Very low98 Ų98140.7 Ų140.769%0.68579%0.786SS**  cis-165.6-163.217.356.40000112.7
589Q31.2Very low30.8Very low194 Ų194139.8 Ų139.891%0.90778%0.784SS**  trans82.2143.7171.2-49.1176.71400117.6
590G27.7Very low30.8Very low71 Ų71135.8 Ų135.873%0.73278%0.784SS**  cis169.2164.2-11.400000115.3
591L30.6Very low30.9Very low178 Ų178136 Ų13693%0.93279%0.787SS**  trans85.1149.7166.5-63170.9000122.2
592D30.1Very low31Very low150 Ų150134.4 Ų134.480%0.80279%0.788SS**  trans-105.5161-167.3-48.5-96.4000116.1
593R28.8Very low30.9Very low254 Ų254129.3 Ų129.396%0.95879%0.789SS**  -166.1164.5126.8-114.4175.5172.8173.5-2115.5
594L29Very low30.9Very low162 Ų162127.1 Ų127.185%0.84880%0.796SS**  trans-96.7142.2-167.3-65.6154.9000114.4
595T28.1Very low30.8Very low142 Ų142132 Ų13287%0.87181%0.812SS**  -176.7158.3124.1190000113.7
596L29.7Very low31Very low162 Ų162134.6 Ų134.685%0.84882%0.815SS**  trans-127.9-177.4171.9-108.387.6000108.6
597P52.3Low32Very low110 Ų110135.5 Ų135.571%0.71482%0.819SS**  cis-116.5-166.2-10.425.8-1000110.3
598T31Very low32.1Very low138 Ų138135.1 Ų135.185%0.84782%0.816SS**  cis-175149.841.4-50.80000107.7
599G28.7Very low32Very low62 Ų62133.7 Ų133.764%0.63981%0.81SS**  cis172.1162.8-9.500000112.8
600A33.1Very low32.1Very low108 Ų108133.4 Ų133.489%0.89381%0.809SS**  trans61.1146.1162.700000120.7
601A30Very low32.2Very low100 Ų100133.9 Ų133.983%0.82681%0.805SS**  cis-162.4138.1-23.800000106.7
602G30.4Very low32.3Very low78 Ų78132.7 Ų132.780%0.80480%0.799SS**  104.1148.381.400000110.2
603A32.5Very low32.2Very low99 Ų99132.9 Ų132.982%0.81880%0.8SS**  cis-164.1174-8.500000110.6
604A29.5Very low32.3Very low95 Ų95128.2 Ų128.279%0.78579%0.793SS**  trans67.9147.8158.700000119.2
605E27.1Very low33Very low192 Ų192125.5 Ų125.590%0.89779%0.785SS**  cis-155-175.7-18.6-128.3177.2-171.100113.5
606R33.3Very low32.9Very low224 Ų224130 Ų13085%0.84579%0.786SS**  trans-131.6-177.7178.1-118.5-175.6-178.4172.50.5108.4
607P47.3Very low32.6Very low114 Ų114126.5 Ų126.574%0.7478%0.78SS**  cis-108.2-123.820.225.2-1000112.3
608S29.6Very low31.3Very low106 Ų106126.3 Ų126.374%0.74178%0.782SS**  cis-158.7-162.3-3-143.70000111.4
609A31.7Very low31.5Very low69 Ų69128.7 Ų128.757%0.5778%0.783SS**  -158.6177.1-102.100000111.6
610H33.4Very low32.6Very low188 Ų188131.3 Ų131.387%0.8779%0.789SS**  trans70.6144.9177.2-57.7-86.7000116.1
611A30.1Very low32.9Very low80 Ų80131.6 Ų131.666%0.66178%0.782SS**  cis-150.3146.9-9.600000107.5
612L32Very low32.9Very low153 Ų153135.1 Ų135.180%0.80178%0.781SS**  54.4121.568.4-64.3-177.2000112.2
613L29.2Very low34.1Very low155 Ų155136.1 Ų136.181%0.81277%0.774SS**  cis-152.4-179.322.8-103.2153.4000114.8
614L31.1Very low33.8Very low156 Ų156137.7 Ų137.782%0.81777%0.768SS**  trans-83.1-169177.5-68.2159.1000111.9
615P43.7Very low33.7Very low105 Ų105140.7 Ų140.768%0.68277%0.766SS**  cis-149.7-1799.446.1-25.8000120.3
616R24.9Very low33.7Very low235 Ų235139.6 Ų139.689%0.88776%0.76SS**  trans64.8138.2158.2-74.8174.2165.2153.7-5.3118.4
617A24.6Very low33.4Very low89 Ų89131.9 Ų131.974%0.73675%0.751SS**  cis82.5134.640.800000114.1
618S24.3Very low32.4Very low106 Ų106133 Ų13374%0.74175%0.75SS**  cis-174.9140.9-0.245.60000113.7
619Q34.1Very low32.3Very low188 Ų188133.6 Ų133.688%0.87975%0.75SS**  trans40.4157.8153.5-74.3-177.9-31.300123.2
620P53Low32.2Very low118 Ų118136.2 Ų136.277%0.76676%0.759SS**  cis-111.6-112.3-14.235.6-14.8000110.8
621P39.1Very low32.8Very low114 Ų114132.9 Ų132.974%0.7475%0.754SS**  cis-126.8-154.9-3.745.4-26.6000115.1
622E30.9Very low32.6Very low174 Ų174133.1 Ų133.181%0.81376%0.756SS**  trans-145.2168.9177.8-75-78.8169.100108.6
623P54.7Low32.2Very low99 Ų99132.6 Ų132.664%0.64375%0.754SS**  cis-132.6-158.4-21.135.5-13000113.4
624D25.3Very low32.1Very low131 Ų131134.4 Ų134.470%0.70175%0.751SS**  trans124.2132.5138-92.7-44.1000124.2
625H29.2Very low32.8Very low159 Ų159133.1 Ų133.174%0.73675%0.752SS**  trans77.5109.3148.7-79.251.9000126.2
626Q26.7Very low32.2Very low168 Ų168132.1 Ų132.179%0.78574%0.744SS**  83.3126120.9-148.36518.400125.2
627G26.8Very low32.5Very low63 Ų63130 Ų13065%0.64975%0.745SS**  trans95.9139.2155.100000116.9
628D26.6Very low32.7Very low136 Ų136131 Ų13173%0.72774%0.737SS**  cis-167.6-179.5-15.7-118.4-68.5000106.7
629T26.2Very low33Very low119 Ų119135.8 Ų135.873%0.7374%0.741SS**  cis-148176.58.6-180000110.4
630T30.3Very low33.4Very low125 Ų125132.2 Ų132.277%0.76773%0.734SS**  trans-136.3179.3169.970.50000110.1
631P45.2Very low32.6Very low118 Ų118134 Ų13477%0.76674%0.736SS**  cis-109.6-156.845.738.3-25.9000111.7
632A26.4Very low32.8Very low84 Ų84134.5 Ų134.569%0.69474%0.739SS**  cis-160.6169.86.500000108.6
633D24.4Very low32.9Very low142 Ų142133.9 Ų133.976%0.75974%0.741SS**  cis-156.8-162.6-9.9-144.2-82.5000110.3
634Y26.8Very low31.8Very low194 Ų194137.2 Ų137.276%0.76175%0.751SS**  trans-124.9178.6-170.8-96.5-106.4000112.7
635P46.3Very low32Very low129 Ų129136.8 Ų136.884%0.83875%0.753SS**  cis-135.3-167.32041.8-21000118.2
636T31Very low32.5Very low84 Ų84135.2 Ų135.252%0.51576%0.757SS.*  trans-119.7147.6-154.8-45.40000115
637Q31Very low32.5Very low191 Ų191134.5 Ų134.589%0.89376%0.759SS**  trans176.3168145.8-103.2156.977.900112.9
638D28.2Very low32.6Very low109 Ų109136.4 Ų136.458%0.58376%0.762SS**  -162.1148.9-75.6-121-56.4000114.4
639Y30.6Very low32.6Very low206 Ų206141.1 Ų141.181%0.80877%0.772SS**  trans50.7166.5166.6-77.2-75.9000121.1
640P43.2Very low32.7Very low114 Ų114146.9 Ų146.974%0.7478%0.78SS**  cis-128.6174.7-2535.6-17.5000116.5
641L36Very low32.7Very low155 Ų155146.2 Ų146.281%0.81278%0.78SS**  trans-39.9178.6167.6-69.2165000119.3
642P44.1Very low31.8Very low124 Ų124147 Ų14781%0.80578%0.783SS**  cis-139-169.910.634.8-10.6000118
643L32.9Very low31.9Very low161 Ų161152.5 Ų152.584%0.84379%0.791SS**  trans-89159.5179.5-63156.4000114.9
644I31.6Very low32.2Very low169 Ų169155.1 Ų155.187%0.86780%0.796SS**  trans-138.6143.3157.2-64.3-175.3000110.9
645V29.4Very low32.2Very low122 Ų122153.6 Ų153.674%0.73980%0.796SS**  trans-113.1143.2176.9174.40000109.8
646P39.5Very low31.2Very low127 Ų127155.8 Ų155.883%0.82580%0.795SS**  trans-81.4132.7177.931.9-34.5000113
647D26.6Very low31.3Very low152 Ų152159.8 Ų159.881%0.81381%0.807SS**  trans-118.9-172.3175-150.9-28.9000112
648S29.1Very low31.1Very low103 Ų103158.2 Ų158.272%0.7281%0.805SS**  trans-104.1147.8-143.351.60000115
649Y25.5Very low31.3Very low236 Ų236159.9 Ų159.993%0.92581%0.813SS**  trans-89.7130.2175.1-104.1-98.7000112.2
650R29.7Very low31.5Very low239 Ų239158.7 Ų158.790%0.90282%0.82SS**  trans-126155.3163.4-107.4-174.2-177.7-116.13.8111.9
651S28.4Very low30.8Very low111 Ų111161.6 Ų161.678%0.77683%0.826SS**  trans-77.6140.6-173.4161.10000113.3
652V26.4Very low30.4Very low136 Ų136159.6 Ų159.682%0.82483%0.825SS**  trans-103.1157.7164.1179.60000109.6
653K30.3Very low29.7Very low198 Ų198160.1 Ų160.186%0.86183%0.826SS**  trans-107.5175.2-178.7-77.7-178.9178.1174.90112.3
654K30.4Very low29.7Very low197 Ų197161.7 Ų161.786%0.85782%0.822SS**  trans-70-178.7176.9-66.5-173.9168.7-166.10114
655Q26.3Very low30Very low163 Ų163159.7 Ų159.776%0.76282%0.82SS**  trans85.7142.9168.3-101.2172.1-86.500113.4
656E25.9Very low30.3Very low175 Ų175159.1 Ų159.182%0.81882%0.819SS**  cis-126-175.117.5-68.4-168.1130.700115.8
657E31.6Very low29.8Very low167 Ų167156.8 Ų156.878%0.7882%0.817SS**  trans-117.9141.9-176.4-59.9160.5-158.900108.8
658N26.9Very low30.1Very low159 Ų159154.2 Ų154.285%0.8582%0.818SS**  trans-170.9163.3144.8-110.2-59.5000114.6
659L32.1Very low30.1Very low144 Ų144157.5 Ų157.575%0.75483%0.826SS**  trans-78.5142.3-171.9-63.276.5000113.5
660L35.5Very low30.8Very low180 Ų180151.8 Ų151.894%0.94282%0.818SS**  -140.3141.6127.1-86.1-175.8000109.1
661M28.3Very low31.1Very low176 Ų176151.1 Ų151.187%0.86782%0.822SS**  trans-142.591-173.2-176.169.671.500110.3
662S28.2Very low31.1Very low113 Ų113149 Ų14979%0.7982%0.818SS**  trans-165.4110.6161.2-1700000111.8
663T28.5Very low33Very low135 Ų135148.4 Ų148.483%0.82882%0.817SS**  trans-179.8112.7136.9-71.30000107.1
664Y33Very low33Very low194 Ų194147.6 Ų147.676%0.76182%0.821SS**  trans-88.3157.6172.1-84.6-80.3000109.5P666Y664-P666 HydrophobicContact CD1-CB 4.36Å
665P38.4Very low32.8Very low126 Ų126141.4 Ų141.482%0.81881%0.813SS**  -116.4149.872.3-5.726.9000114.7
666P36.1Very low32.9Very low111 Ų111143.3 Ų143.372%0.72182%0.819SS**  trans-80.7145165.434.7-33000111.2Y664Y664-P666 HydrophobicContact CD1-CB 4.36Å
667G29.7Very low33Very low77 Ų77141.5 Ų141.579%0.79482%0.82SS**  trans-146.987.6177.200000111.8
668A31.3Very low32.9Very low99 Ų99140.8 Ų140.882%0.81882%0.82SS**  trans-82.6122.2173.100000109.9
669L29.6Very low33.1Very low172 Ų172139.1 Ų139.190%0.90182%0.815SS**  trans-100.9114.1170.8-71.6178000110.2
670P39.8Very low33.7Very low116 Ų116137.1 Ų137.175%0.75381%0.811SS**  trans-83.9171.4170.336-34.9000111.3
671F36.3Very low33.6Very low224 Ų224136.4 Ų136.498%0.98281%0.808SS**  trans-78.1127.1162.3-82.9-89.5000110.2
672G28.4Very low33.7Very low68 Ų68132.1 Ų132.170%0.70181%0.809SS**  trans-167.5139.7175.800000112.2
673P66Low33.7Very low123 Ų123130.6 Ų130.680%0.79981%0.811SS**  trans-109.3-166.3-175.342-35.2000114
674L30.3Very low33.7Very low180 Ų180131.2 Ų131.294%0.94281%0.809SS**  trans92.2157.1-174-57.2164.5000113.7
675G25.8Very low33.7Very low68 Ų68129.5 Ų129.570%0.70181%0.812SS**  cis-167.1171.53.500000114.9
676K29.2Very low33.4Very low203 Ų203126.7 Ų126.788%0.88381%0.806SS**  trans-58155.5-170-59171.2178.3178.50116.4
677V28.1Very low33.2Very low136 Ų136131.4 Ų131.482%0.82482%0.815SS**  trans-67.8149159172.90000110.6
678I30Very low33.2Very low153 Ų153135.5 Ų135.579%0.78582%0.818SS**  trans-104.3139.9171.4-72.4175.5000110.3
679V30.5Very low34.3Very low123 Ų123135.5 Ų135.575%0.74581%0.81SS**  trans-113.7143.1165.9171.50000105.9
680P45.4Very low34.3Very low103 Ų103136.9 Ų136.967%0.66981%0.809SS**  trans-73.4152.3-167.328.6-36.7000115.2
681D33.2Very low33.9Very low165 Ų165141.1 Ų141.188%0.88281%0.811SS**  trans51.6127150.5-56.8-31.5000122.6
682G29.4Very low34.5Very low86 Ų86135.2 Ų135.289%0.88780%0.795SS**  trans102.3145148.200000116.7
683G28.8Very low35.1Very low81 Ų81137.4 Ų137.484%0.83579%0.791SS**  trans116.387.6163.600000116
684D29.1Very low34.5Very low147 Ų147136.5 Ų136.579%0.78679%0.785SS**  trans-50170.3164.5-1653.8000115.6
685L33Very low34.7Very low159 Ų159136.6 Ų136.683%0.83277%0.774SS**  trans69.6158172.4-43.9176.9000116.3
686G30.3Very low35.1Very low66 Ų66139.5 Ų139.568%0.6877%0.77SS**  cis160.5111.6-13.100000114.7
687K33Very low35.5Very low210 Ų210136.8 Ų136.891%0.91376%0.764SS**  trans73.2147.5163.4-57.1176-178.7173.60120.7
688L29.7Very low35.6Very low163 Ų163135.8 Ų135.885%0.85375%0.753SS**  trans-14.5171.3146.6-63.2163.5000119.3
689P55.4Low35.8Very low100 Ų100138.8 Ų138.865%0.64976%0.756SS**  cis-134.1-162.2-36.639.4-22.5000111
690F28Very low35.7Very low200 Ų200135.8 Ų135.888%0.87775%0.75SS**  -176.8160.6124.7-118.4-99.5000114.5
691Y32.8Very low35.8Very low205 Ų205136.3 Ų136.380%0.80475%0.754SS**  trans-99.5-168.9167.8-147-137.2000107.6
692P48.6Very low35.8Very low100 Ų100136.2 Ų136.265%0.64975%0.748SS**  cis-130.9-176.9-541.4-23.2000115.3
693D41.1Very low36Very low115 Ų115139.4 Ų139.462%0.61574%0.744SS**  trans-72.8160.5156172.274.4000111.2Y695D693-Y695 PolarHBondContact OD2-N 3.19Å
694P53.8Low36.2Very low104 Ų104142.9 Ų142.968%0.67574%0.742SS**  trans-141.8120.5135.435.1-19.5000117.4
695Y33.8Very low36.2Very low181 Ų181140.3 Ų140.371%0.7174%0.741SS**  59.2150.8123-81.3-116.9000119.6D693D693-Y695 PolarHBondContact OD2-N 3.19Å
696Q34.4Very low36.1Very low130 Ų130143.4 Ų143.461%0.60774%0.744SS**  cis-178.7-177.1-24.7-123.2-177.338.200108.3
697L37.9Very low37.2Very low146 Ų146145.9 Ų145.976%0.76475%0.748SS**  trans121.9100.8158-64.6172.3000112.4
698L29.8Very low37.2Very low115 Ų115145.7 Ų145.760%0.60274%0.743SS**  69.1126.681.3-87.864.8000111.8
699Y34.4Very low37.5Very low216 Ų216144.3 Ų144.385%0.84774%0.737SS**  cis-140.6165.831.3-93.8-94.3000115.5
700G27.7Very low36.4Very low60 Ų60147.1 Ų147.162%0.61975%0.745SS**  trans-141.5-159.414400000108
701P48Very low36.7Very low114 Ų114142.5 Ų142.574%0.7474%0.744SS**  cis-140.4-160.9-11.843.3-24.4000113.7
702Q33Very low37Very low163 Ų163137.2 Ų137.276%0.76274%0.743SS**  trans80.1156.9158.1-114.970.21.300121.7
703L33.8Very low36.8Very low153 Ų153140.6 Ų140.680%0.80175%0.754SS**  trans70.6130.2-178.7-47.9-179.3000115.1
704L31.8Very low37Very low153 Ų153141.2 Ų141.280%0.80177%0.765SS**  cis-156156.60.2-114.5166000111.4
705A30.3Very low36.2Very low93 Ų93143 Ų14377%0.76977%0.773SS**  trans66.9130.215800000123.2
706Y29.9Very low36.2Very low224 Ų224138.5 Ų138.588%0.87877%0.774SS**  trans-74.4-175.8157.4-88.5-89.6000111.7
707P53.6Low36.1Very low118 Ų118140.1 Ų140.177%0.76679%0.786SS**  cis-133-170.4-6.922.14.3000115.6
708Y34Very low36.3Very low206 Ų206140 Ų14081%0.80879%0.786SS**  trans-64.3161.6170.7-100.8-97.3000117
709N34.3Very low36.3Very low135 Ų135143.2 Ų143.272%0.72280%0.8SS**  trans94.8154.9132-97.4-28000124
710L33.5Very low36.1Very low158 Ų158141.2 Ų141.283%0.82780%0.8SS**  trans75.3130.3157-72.4158.1000119.8
711A34.8Very low36.4Very low104 Ų104143 Ų14386%0.8681%0.809SS**  trans-98.4114.4160.300000109.2
712A38.8Very low36.4Very low94 Ų94143.8 Ų143.878%0.77782%0.815SS**  trans-142.6155.1169.600000109.6
713L43.4Very low36.2Very low170 Ų170140 Ų14089%0.8982%0.82SS**  trans-72.1156179.9-57.8168.7000110.4
714P46.3Very low36.2Very low128 Ų128136.3 Ų136.383%0.83182%0.818SS**  -153.5-17783.542.3-22.8000118
715V36.3Very low36.2Very low141 Ų141136.4 Ų136.486%0.85582%0.819SS**  trans-60.2145.7172.2173.20000115.2
716A34.4Very low36.5Very low88 Ų88141.1 Ų141.173%0.72782%0.823SS**  trans173.7159.9146.400000110.3
717L32.8Very low36.5Very low163 Ų163136.7 Ų136.785%0.85382%0.819SS**  cis-162.7173.3-33.1-115.5171.3000107.9
718N41.2Very low35.5Very low144 Ų144139.2 Ų139.277%0.7782%0.82SS**  trans-70143.1169.8-74-16.1000111.9
719M29.3Very low35.8Very low182 Ų182134.3 Ų134.390%0.89781%0.813SS**  trans-150.6157.8145-80.3-50.3-73.400109.7
720M29.9Very low35.5Very low174 Ų174136 Ų13686%0.85782%0.822SS**  trans-140.4156.5-171.5-74.5170.7119.500112.7
721A34.3Very low36.4Very low97 Ų97132.6 Ų132.680%0.80281%0.809SS**  trans68.1170.2157.500000116.8
722P49.4Very low36.2Very low132 Ų132136.6 Ų136.686%0.85781%0.807SS**  cis-129.5178.4-242.2-27.4000115.8
723G29.1Very low36.3Very low84 Ų84139.3 Ų139.387%0.86681%0.808SS**  trans114.9112.7153.200000116.8
724G32Very low36.3Very low75 Ų75137.5 Ų137.577%0.77381%0.806SS**  trans14794.8171.700000113.5
725D32.6Very low35.7Very low154 Ų154137.5 Ų137.582%0.82480%0.804SS**  trans-74.5127.5-173-55.4-70.7000114.3
726K37.3Very low35.8Very low193 Ų193138.1 Ų138.184%0.83980%0.801SS**  173.7110.9117.9-90.7152.2-170.2173.80114.2
727V30Very low35.7Very low131 Ų131142.7 Ų142.779%0.79481%0.805SS**  41.8117.8126.3-173.20000119.8
728E31.3Very low35.8Very low171 Ų171141.5 Ų141.580%0.79980%0.799SS**  trans66.3136.7154.7-68.2-61.2102.800122.4
729P39.9Very low35.4Very low102 Ų102145.5 Ų145.566%0.66281%0.805SS**  trans-98.4155.6169.838.7-32.5000113.2
730L29.4Very low35.4Very low172 Ų172141.4 Ų141.490%0.90180%0.8SS**  trans-135.2157.6168-77.3176.8000113.1
731P51.3Low35.4Very low86 Ų86137.4 Ų137.456%0.55880%0.795SS**  trans-121.1-170.5-157.741.6-26.8000113.5
732F31.3Very low35.2Very low187 Ų187139.3 Ų139.382%0.8280%0.797SS**  174.4140.1111.7-92.6-65.9000112.4
733L39.8Very low34.4Very low151 Ų151137.3 Ų137.379%0.79179%0.792SS**  trans-118.2150.6162.6-74.1171.4000108.4
734P43.4Very low34.3Very low132 Ų132136.7 Ų136.786%0.85779%0.785SS**  trans-77141.2177.7-11.228.1000112.4
735T33.7Very low35.7Very low128 Ų128138.9 Ų138.979%0.78579%0.786SS**  trans-129.8137.2178.7470000112
736I39.4Very low35.4Very low155 Ų155142.2 Ų142.280%0.79579%0.788SS**  trans-166.813716028.8175.7000107.1
737F33Very low35.1Very low183 Ų183140.8 Ų140.880%0.80379%0.787SS**  cis-138.3162.63.2-128.3-78.7000110.9
738N34.6Very low35Very low138 Ų138138.4 Ų138.474%0.73879%0.788SS**  trans-78.3161.6-177.8-68.3-38.2000114.5
739Y32.1Very low34.9Very low229 Ų229135.1 Ų135.190%0.89879%0.791SS**  -167.9159105.8-104.7-75.8000112
740A30.5Very low34.7Very low95 Ų95134.6 Ų134.679%0.78580%0.795SS**  trans-86.1176.2-179.500000111.7
741A29.4Very low35.5Very low91 Ų91132.5 Ų132.575%0.75279%0.791SS**  cis-148.9-165.611.200000108.9
742T30.2Very low34.8Very low137 Ų137136.7 Ų136.784%0.8480%0.803SS**  cis-141.7-172.511.364.10000111.2
743A32.6Very low35.5Very low90 Ų90133 Ų13374%0.74480%0.798SS**  trans-90.5169.3158.200000111.8
744G26Very low35Very low71 Ų71133.6 Ų133.673%0.73280%0.801SS**  trans-91.3-146.1162.900000111
745P61.8Low34.5Very low121 Ų121133.9 Ų133.979%0.78680%0.8SS**  cis-129.3162.3-17.640.1-26.9000113.1
746Y26.2Very low34.3Very low223 Ų223132.2 Ų132.288%0.87580%0.8SS**  trans-168.4176.6149.8-131.2-124.1000116.6
747M30.9Very low34.1Very low164 Ų164132.3 Ų132.381%0.80880%0.802SS**  trans-47154.4-179.9-57.9-88.7-97.700117.1
748G27.6Very low34.6Very low80 Ų80129.8 Ų129.883%0.82580%0.804SS**  trans-173124.8165.400000113.1
749A30.6Very low34.3Very low103 Ų103126.3 Ų126.385%0.85180%0.8SS**  trans-84164.7-17200000114.7
750A34.3Very low34.3Very low91 Ų91123.3 Ų123.375%0.75280%0.799SS**  trans-76.4163.916100000110.4
751P47Very low34.2Very low127 Ų127129 Ų12983%0.82580%0.802SS**  -148174.476.340.7-22.6000117
752H37.1Very low34Very low174 Ų174129.7 Ų129.781%0.80680%0.8SS**  trans-62.7171.8154.2-85.4-64.8000111.3
753P46.4Very low34Very low110 Ų110129.6 Ų129.671%0.71481%0.805SS**  cis-121.6-14832.521.46.8000112.2
754L27.9Very low33.7Very low163 Ų163128.8 Ų128.885%0.85381%0.806SS**  cis-140-172.316.9-90.6170.8000112.8
755V33.2Very low34Very low139 Ų139129.3 Ų129.384%0.84281%0.812SS**  trans-132.8159.4-172.3173.90000110.7
756A29.7Very low32.7Very low93 Ų93129.8 Ų129.877%0.76982%0.818SS**  trans108.3144.6157.300000118.6
757N35.5Very low32.9Very low157 Ų157122.6 Ų122.684%0.8481%0.812SS**  trans-74.4167.7166.7-63.5-53.8000110.6
758P42.5Very low33.1Very low130 Ų130124.2 Ų124.284%0.84481%0.814SS**  -133.3-175.3108.439.4-32.5000112.9
759G29.2Very low33.7Very low64 Ų64129.3 Ų129.366%0.6681%0.814SS**  trans-147.9-163.9169.400000111.4
760L31Very low34Very low166 Ų166132.1 Ų132.187%0.86981%0.809SS**  trans90154.3-179.7-55.8170000117.1
761Y28.4Very low34.2Very low216 Ų216137.8 Ų137.885%0.84781%0.811SS**  trans65.1142.9179.5-71.1-96.1000117.6
762S27Very low33.9Very low104 Ų104137.8 Ų137.873%0.72780%0.804SS**  cis149.8130.4-29.9-89.30000108.3
763S28.7Very low33.8Very low135 Ų135132.3 Ų132.394%0.94480%0.795SS**  trans-162.7158.1150.6-163.10000109.4
764G27.7Very low33.6Very low74 Ų74133.6 Ų133.676%0.76381%0.806SS**  trans-177.9175.7-178.100000116.9
765G31.9Very low34.4Very low82 Ų82133 Ų13385%0.84584%0.839SS**  trans90.6151.3-177.400000113.9
766S33.6Very low34.5Very low130 Ų130132.7 Ų132.791%0.90984%0.839SS**  cis-163.5166.3-18.268.90000108.7
767G31.8Very low34.7Very low73 Ų73134.7 Ų134.775%0.75384%0.843SS**  cis-132.7-115.7-100000110.5
768K34.8Very low34.7Very low198 Ų198133.5 Ų133.586%0.86184%0.843SS**  cis-158.3107.6-7.1-155.8-172.2-161.8-178.90110
769K39.7Very low34.2Very low187 Ų187133.7 Ų133.781%0.81384%0.843SS**  trans58.1157.5163.2-61.2-174.2175.9-174.60117.8
770Q35.9Very low34.5Very low161 Ų161138.1 Ų138.175%0.75285%0.854SS**  cis-145.6142.39.7-138146-70.100107.3
771R39.5Very low34.8Very low210 Ų210136.2 Ų136.279%0.79285%0.853SS**  44.9136.878.7-75.4-158.8108.7-176.48.4114.4
772D40.1Very low35.2Very low127 Ų127130.5 Ų130.568%0.67985%0.854SS**  cis-151.7170.9-7.1-74.6-48.9000106.4
773G36.4Very low35.9Very low60 Ų60132.5 Ų132.562%0.61986%0.864SS**  cis154.7131.8-7.800000112.7
774S40.7Very low36.5Very low136 Ų136132.3 Ų132.395%0.95186%0.857SS**  trans66.9152.8176.765.90000118.5
775G45.6Very low37.3Very low150 Ų150137.6 Ų137.6100%1.54687%0.866SS**  cis-167.600.600000114

Retrieved 775 of 775 residues in 235 ms (Link to these results)

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