A0A087Y0X9_POEFO Loading...

Zinc finger CCHC domain-containing protein 7

AlphaFold DB , UniProt , Accession A0A087Y0X9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 510 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
1M43.1Very low45Very low223 Ų223122.8 Ų122.8100%1.09960%0.596SS**  0-80-82-173.4171.100114.3
2Y33.3Very low45.7Very low199 Ų199120.8 Ų120.878%0.7859%0.585SS**  trans-93.4-28.6177-84.3-83.4000115.3A4 Y5Y2-A4 PolarHBondContact O-N 3.16Å; Y2-Y5 PolarHBondContact O-N 2.65Å
3S39.6Very low46.1Very low76 Ų76119.6 Ų119.653%0.53158%0.583SS.*Hα-helixtrans-57-44.3-175.460.80000113.8Y5 Q6 D7S3-Y5 CarbonylContact O-C 3.52Å; S3-Y5 PolarHBondContact O-N 3.5Å; S3-Q6 CarbonylContact O-C 3.58Å; S3-Q6 WeakPolarHBondContact O-CA 3.39Å; S3-Q6 VanDerWaalsContact O-CB 3.32Å; S3-Q6 WeakPolarHBondContact O-CB 3.08Å; S3-Q6 PolarHBondContact O-N 3.1Å; S3-D7 VanDerWaalsContact C-OD2 3.22Å; S3-D7 PolarHBondContact O-N 2.96Å
4A43.6Very low46.8Very low61 Ų61119.9 Ų119.950%0.50459%0.588SS.*Hα-helixtrans-65.35.4177.700000115.5Y2 D7Y2-A4 PolarHBondContact O-N 3.16Å; A4-D7 WeakPolarHBondContact CA-OD2 3.47Å; A4-D7 PolarHBondContact N-OD2 2.89Å
5Y44.4Very low47.3Very low125 Ų125115.9 Ų115.949%0.4957%0.57SS.*Hα-helixtrans-99.2-44.6161.4-78.4-102.7000111.5Y2 S3 R8 E9Y2-Y5 PolarHBondContact O-N 2.65Å; S3-Y5 CarbonylContact O-C 3.52Å; S3-Y5 PolarHBondContact O-N 3.5Å; Y5-R8 VanDerWaalsContact CD1-NH2 3.3Å; Y5-R8 VanDerWaalsContact CE1-NH2 3.28Å; Y5-R8 PolarHBondContact O-N 2.76Å; Y5-R8 VanDerWaalsContact O-N 3.14Å; Y5-E9 PolarHBondContact O-N 2.92Å
6Q39.4Very low47.5Very low102 Ų102118.3 Ų118.348%0.47757%0.572SS.*Hα-helixtrans-52.9-55.4168.7-110.465.765.700111.5S3 R8 E9 E10S3-Q6 CarbonylContact O-C 3.58Å; S3-Q6 WeakPolarHBondContact O-CA 3.39Å; S3-Q6 VanDerWaalsContact O-CB 3.32Å; S3-Q6 WeakPolarHBondContact O-CB 3.08Å; S3-Q6 PolarHBondContact O-N 3.1Å; Q6-R8 PolarHBondContact O-N 2.85Å; Q6-E9 PolarHBondContact O-N 3.38Å; Q6-E10 PolarHBondContact O-N 3.1Å
7D47.1Very low47.6Very low87 Ų87118.6 Ų118.647%0.46557%0.572SS.*Hα-helixtrans-56.9-16.9-180-43.4-30.4000112.7S3 A4 L11S3-D7 VanDerWaalsContact C-OD2 3.22Å; S3-D7 PolarHBondContact O-N 2.96Å; A4-D7 WeakPolarHBondContact CA-OD2 3.47Å; A4-D7 PolarHBondContact N-OD2 2.89Å; D7-L11 WeakPolarHBondContact O-CD1 3.43Å; D7-L11 PolarHBondContact O-N 3.41Å
8R47.1Very low47.6Very low112 Ų112122.4 Ų122.442%0.42359%0.589SS.*Hα-helixtrans-106.5-32.8-177-173.2169.560847.1113.7Y5 Q6 E10 L11 E12Y5-R8 VanDerWaalsContact CD1-NH2 3.3Å; Y5-R8 VanDerWaalsContact CE1-NH2 3.28Å; Y5-R8 PolarHBondContact O-N 2.76Å; Y5-R8 VanDerWaalsContact O-N 3.14Å; Q6-R8 PolarHBondContact O-N 2.85Å; R8-E10 VanDerWaalsContact C-N 3.32Å; R8-L11 PolarHBondContact O-N 3.43Å; R8-E12 VanDerWaalsContact O-CB 3.28Å; R8-E12 WeakPolarHBondContact O-CB 3.38Å; R8-E12 PolarHBondContact O-N 3.21Å
9E50Low47.5Very low117 Ų117123.9 Ų123.955%0.54760%0.601SS.*Hα-helixtrans-63.3-44.3164.9-81.5175.3157.500108.9Y5 Q6 L11 E12 D13Y5-E9 PolarHBondContact O-N 2.92Å; Q6-E9 PolarHBondContact O-N 3.38Å; E9-L11 VanDerWaalsContact C-N 3.35Å; E9-L11 PolarHBondContact O-N 3.19Å; E9-E12 PolarHBondContact O-N 3.14Å; E9-D13 WeakPolarHBondContact O-CB 3.29Å; E9-D13 PolarHBondContact O-N 3.31Å
10E53.7Low47.4Very low121 Ų121120.7 Ų120.757%0.56560%0.601SS**Hα-helixtrans-59.3-40.8172-70.2179.7175.300112.5Q6 R8 N14Q6-E10 PolarHBondContact O-N 3.1Å; R8-E10 VanDerWaalsContact C-N 3.32Å; E10-N14 WeakPolarHBondContact O-CB 3.38Å; E10-N14 VanDerWaalsContact O-CG 3.28Å; E10-N14 PolarHBondContact O-N 3Å; E10-N14 PolarHBondContact O-ND2 3.44Å
11L53.9Low47.2Very low128 Ų128123.2 Ų123.267%0.6762%0.617SS**Hα-helixtrans-71.5-29.4176.5-117.782.5000114.2D7 R8 E9 L15D7-L11 WeakPolarHBondContact O-CD1 3.43Å; D7-L11 PolarHBondContact O-N 3.41Å; R8-L11 PolarHBondContact O-N 3.43Å; E9-L11 VanDerWaalsContact C-N 3.35Å; E9-L11 PolarHBondContact O-N 3.19Å; L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 PolarHBondContact O-N 3.41Å
12E52.8Low47.3Very low99 Ų99117 Ų11746%0.46360%0.595SS.*Hα-helixtrans-82.3-40.4-179.6-162.5156.7-164.600110R8 E9 L15 Y16R8-E12 VanDerWaalsContact O-CB 3.28Å; R8-E12 WeakPolarHBondContact O-CB 3.38Å; R8-E12 PolarHBondContact O-N 3.21Å; E9-E12 PolarHBondContact O-N 3.14Å; E12-L15 WeakPolarHBondContact O-CB 3.31Å; E12-L15 PolarHBondContact O-N 3.05Å; E12-L15 VanDerWaalsContact O-N 3.12Å; E12-Y16 HydrophobicContact CG-CD2 4.46Å; E12-Y16 HydrophobicContact CG-CE2 4.4Å; E12-Y16 VanDerWaalsContact O-CD2 3.28Å; E12-Y16 WeakPolarHBondContact O-CD2 3.48Å; E12-Y16 PolarHBondContact O-N 3.48Å
13D50.7Low47.9Very low105 Ų105114.1 Ų114.156%0.56159%0.593SS**Hα-helixtrans-64.6-46.6171.4-72.5-18.8000111.3E9 L15 Y16 Q17E9-D13 WeakPolarHBondContact O-CB 3.29Å; E9-D13 PolarHBondContact O-N 3.31Å; D13-L15 PolarHBondContact O-N 3.06Å; D13-Y16 CarbonylContact O-C 3.45Å; D13-Y16 PolarHBondContact O-N 3.13Å; D13-Q17 PolarHBondContact O-N 3.21Å
14N56.3Low48.5Very low123 Ų123118 Ų11866%0.65860%0.603SS**THydrogen-bonded Turntrans-59.9-13.2172.4-80.3-59.5000113.9E10E10-N14 WeakPolarHBondContact O-CB 3.38Å; E10-N14 VanDerWaalsContact O-CG 3.28Å; E10-N14 PolarHBondContact O-N 3Å; E10-N14 PolarHBondContact O-ND2 3.44Å
15L54.3Low48.9Very low61 Ų61119.5 Ų119.532%0.31961%0.61SS.*THydrogen-bonded Turntrans-97.9-5.6175.5-162.2125.4000112.9L11 E12 D13 K389L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 PolarHBondContact O-N 3.41Å; E12-L15 WeakPolarHBondContact O-CB 3.31Å; E12-L15 PolarHBondContact O-N 3.05Å; E12-L15 VanDerWaalsContact O-N 3.12Å; D13-L15 PolarHBondContact O-N 3.06Å; L15-K389 HydrophobicContact CD2-CD 4.15Å; L15-K389 VanDerWaalsContact O-CE 3.25Å; L15-K389 WeakPolarHBondContact O-CE 3.31Å; L15-K389 PolarHBondContact O-NZ 2.97Å
16Y50.4Low49.3Very low154 Ų154121 Ų12160%0.60462%0.621SS**THydrogen-bonded Turntrans-132.72.1177.3-68.8-72.6000114.7E12 D13 E18E12-Y16 HydrophobicContact CG-CD2 4.46Å; E12-Y16 HydrophobicContact CG-CE2 4.4Å; E12-Y16 VanDerWaalsContact O-CD2 3.28Å; E12-Y16 WeakPolarHBondContact O-CD2 3.48Å; E12-Y16 PolarHBondContact O-N 3.48Å; D13-Y16 CarbonylContact O-C 3.45Å; D13-Y16 PolarHBondContact O-N 3.13Å; Y16-E18 PolarHBondContact O-N 3.31Å
17Q50Low50Low123 Ų123119.1 Ų119.158%0.57562%0.624SS**  trans-45.6124.1170.4-162.881.4-18.100109.5D13 D19D13-Q17 PolarHBondContact O-N 3.21Å; Q17-D19 PolarHBondContact O-N 2.91Å
18E47.1Very low50.2Low188 Ų188120.9 Ų120.988%0.87963%0.633SS**  trans-82.697.3170.1-68.5-166.7156.300107.7Y16 G20Y16-E18 PolarHBondContact O-N 3.31Å; E18-G20 VanDerWaalsContact C-N 3.32Å; E18-G20 PolarHBondContact O-N 3.45Å
19D45.7Very low51Low151 Ų151119.3 Ų119.381%0.80764%0.639SS**  trans-60.393.4170.7-55.4-41.1000108.7Q17Q17-D19 PolarHBondContact O-N 2.91Å
20G46Very low52Low59 Ų59120.6 Ų120.661%0.60865%0.645SS**  trans-66.7140.1172.900000110.2E18 S22E18-G20 VanDerWaalsContact C-N 3.32Å; E18-G20 PolarHBondContact O-N 3.45Å; G20-S22 PolarHBondContact O-N 2.76Å
21D43.7Very low52.8Low174 Ų174120.1 Ų120.193%0.9365%0.646SS**SBendtrans-44.5106.9-170.7-64.5-62.4000112.9
22S44Very low53.8Low91 Ų91121.3 Ų121.364%0.63665%0.648SS**  trans-154130.5178.2-162.80000110.5G20 E24G20-S22 PolarHBondContact O-N 2.76Å; S22-E24 VanDerWaalsContact C-N 3.28Å; S22-E24 PolarHBondContact O-N 3.25Å
23D46.6Very low54.8Low140 Ų140123.7 Ų123.775%0.74966%0.657SS**  trans-83.249.7-165.3-56.3-76.3000114.4S25D23-S25 PolarHBondContact O-N 2.56Å
24E52.2Low55.9Low158 Ų158124.5 Ų124.574%0.73866%0.657SS**THydrogen-bonded Turntrans-74.3-3.4-177.3-66.6-162.3121.800114.9S22 E26S22-E24 VanDerWaalsContact C-N 3.28Å; S22-E24 PolarHBondContact O-N 3.25Å; E24-E26 VanDerWaalsContact C-N 3.29Å; E24-E26 PolarHBondContact O-N 2.9Å
25S50.6Low56.6Low92 Ų92123.5 Ų123.564%0.64365%0.651SS**Hα-helixtrans-68.3-22.8-178.449.90000114.7D23 S29D23-S25 PolarHBondContact O-N 2.56Å; S25-S29 PolarHBondContact O-OG 3.47Å
26E53.3Low57.5Low155 Ų155127.4 Ų127.472%0.72466%0.663SS**Hα-helixtrans-73.7-41.4-178.1-58.4-167.8152.300111.8E24 N28 S29 E30E24-E26 VanDerWaalsContact C-N 3.29Å; E24-E26 PolarHBondContact O-N 2.9Å; E26-N28 PolarHBondContact O-N 3.34Å; E26-S29 PolarHBondContact O-N 3.46Å; E26-E30 PolarHBondContact O-N 2.98Å; E26-E30 VanDerWaalsContact O-N 3.11Å
27A54Low58.6Low64 Ų64121.4 Ų121.453%0.52964%0.643SS.*Hα-helixtrans-64.1-39.4-174.400000113.6L31A27-L31 PolarHBondContact O-N 3.21Å
28N52.6Low59.8Low124 Ų124121.6 Ų121.666%0.66364%0.644SS**Hα-helixtrans-70-33.6176.4-91.3-9.1000112.4E26 L31 E32E26-N28 PolarHBondContact O-N 3.34Å; N28-L31 PolarHBondContact O-N 3.11Å; N28-E32 PolarHBondContact O-N 3.28Å
29S63.7Low60.9Low78 Ų78118.7 Ų118.755%0.54563%0.634SS.*Hα-helixtrans-68.3-38.5176.5-64.30000112.2S25 E26 F33S25-S29 PolarHBondContact O-OG 3.47Å; E26-S29 PolarHBondContact O-N 3.46Å; S29-F33 VanDerWaalsContact O-CB 3.3Å; S29-F33 WeakPolarHBondContact O-CB 3.49Å; S29-F33 PolarHBondContact O-N 3.18Å
30E69.5Low61.8Low145 Ų145117 Ų11768%0.67862%0.621SS**Hα-helixtrans-65.2-39.9174.3-172.6172.6-16400111.7E26 F33 H34E26-E30 PolarHBondContact O-N 2.98Å; E26-E30 VanDerWaalsContact O-N 3.11Å; E30-F33 PolarHBondContact O-N 3.24Å; E30-H34 WeakPolarHBondContact O-CB 3.48Å; E30-H34 PolarHBondContact O-N 3.01Å
31L71.2Confident62.6Low111 Ų111123 Ų12358%0.58163%0.627SS**Hα-helixtrans-67.7-41.8179.7-148.1163.3000111.9A27 N28 H34 L35A27-L31 PolarHBondContact O-N 3.21Å; N28-L31 PolarHBondContact O-N 3.11Å; L31-H34 PolarHBondContact O-N 3.43Å; L31-L35 PolarHBondContact O-N 3.04Å
32E75.9Confident63Low153 Ų153118.9 Ų118.972%0.71561%0.612SS**Hα-helixtrans-66.2-40.6173.9-170.6164.5-16800111.7N28 H34 L35 Y36N28-E32 PolarHBondContact O-N 3.28Å; E32-H34 PolarHBondContact O-N 3.33Å; E32-L35 PolarHBondContact O-N 3.04Å; E32-Y36 WeakPolarHBondContact O-CB 3.45Å; E32-Y36 PolarHBondContact O-N 2.88Å
33F73.3Confident63.5Low148 Ų148119.2 Ų119.265%0.64961%0.614SS**Hα-helixtrans-63.8-38.7173.7-171.9-94000112.4S29 E30 Y36 S37S29-F33 VanDerWaalsContact O-CB 3.3Å; S29-F33 WeakPolarHBondContact O-CB 3.49Å; S29-F33 PolarHBondContact O-N 3.18Å; E30-F33 PolarHBondContact O-N 3.24Å; F33-Y36 PolarHBondContact O-N 3.18Å; F33-S37 WeakPolarHBondContact O-CB 3.44Å; F33-S37 PolarHBondContact O-N 3.22Å; F33-S37 PolarHBondContact O-OG 3.42Å
34H74.4Confident63.5Low123 Ų123120.6 Ų120.657%0.56962%0.621SS**Hα-helixtrans-64.7-44.8176.9-15579.8000110.9E30 L31 E32 Y36 S37 Q38E30-H34 WeakPolarHBondContact O-CB 3.48Å; E30-H34 PolarHBondContact O-N 3.01Å; L31-H34 PolarHBondContact O-N 3.43Å; E32-H34 PolarHBondContact O-N 3.33Å; H34-Y36 PolarHBondContact O-N 3.05Å; H34-S37 PolarHBondContact O-N 2.91Å; H34-S37 PolarHBondContact O-OG 3.18Å; H34-Q38 WeakPolarHBondContact O-CB 3.31Å; H34-Q38 PolarHBondContact O-N 2.73Å
35L71Confident62.8Low102 Ų102119 Ų11953%0.53463%0.627SS.*Hα-helixtrans-63.3-42176.6-141.677000112.1L31 E32 Q38 L39L31-L35 PolarHBondContact O-N 3.04Å; E32-L35 PolarHBondContact O-N 3.04Å; L35-Q38 PolarHBondContact O-N 3.41Å; L35-L39 WeakPolarHBondContact O-CG 3.33Å; L35-L39 PolarHBondContact O-N 3.49Å
36Y72.9Confident62.4Low143 Ų143124 Ų12456%0.56164%0.64SS**Hα-helixtrans-63.3-45.8175.8-166.9-92.6000111.6E32 F33 H34 Q38 L39 H40E32-Y36 WeakPolarHBondContact O-CB 3.45Å; E32-Y36 PolarHBondContact O-N 2.88Å; F33-Y36 PolarHBondContact O-N 3.18Å; H34-Y36 PolarHBondContact O-N 3.05Å; Y36-Q38 VanDerWaalsContact C-N 3.31Å; Y36-Q38 PolarHBondContact O-N 2.9Å; Y36-L39 PolarHBondContact O-N 2.83Å; Y36-H40 AromaticContact CD1-CD2 3.76Å; Y36-H40 AromaticContact CD2-CD2 3.88Å; Y36-H40 AromaticContact CE1-CD2 3.57Å; Y36-H40 AromaticContact CE2-CD2 3.7Å; Y36-H40 AromaticContact CE2-NE2 3.64Å; Y36-H40 AromaticContact CG-CD2 3.91Å; Y36-H40 AromaticContact CZ-CD2 3.54Å; Y36-H40 AromaticContact CZ-NE2 3.73Å; Y36-H40 PolarHBondContact O-CD2 2.71Å; Y36-H40 VanDerWaalsContact O-CD2 3.26Å; Y36-H40 PolarHBondContact O-N 2.85Å; Y36-H40 VanDerWaalsContact O-N 3.12Å
37S72.9Confident61.7Low28 Ų28122.5 Ų122.520%0.19664%0.637CS.*Hα-helixtrans-64.3-35.8177.9710000112.4F33 H34 L39 H40 Y41F33-S37 WeakPolarHBondContact O-CB 3.44Å; F33-S37 PolarHBondContact O-N 3.22Å; F33-S37 PolarHBondContact O-OG 3.42Å; H34-S37 PolarHBondContact O-N 2.91Å; H34-S37 PolarHBondContact O-OG 3.18Å; S37-L39 VanDerWaalsContact C-N 3.31Å; S37-L39 PolarHBondContact O-N 3.06Å; S37-H40 PolarHBondContact O-N 3.29Å; S37-Y41 WeakPolarHBondContact O-CB 3.49Å; S37-Y41 PolarHBondContact O-N 3.44Å
38Q75.4Confident60.8Low126 Ų126124.2 Ų124.259%0.58965%0.652SS**Hα-helixtrans-68.5-27.5176.7-170.1168.241.100113.3H34 L35 Y36 S42H34-Q38 WeakPolarHBondContact O-CB 3.31Å; H34-Q38 PolarHBondContact O-N 2.73Å; L35-Q38 PolarHBondContact O-N 3.41Å; Y36-Q38 VanDerWaalsContact C-N 3.31Å; Y36-Q38 PolarHBondContact O-N 2.9Å; Q38-S42 WeakPolarHBondContact O-CB 3.24Å; Q38-S42 PolarHBondContact O-OG 2.84Å
39L69.8Low60.1Low128 Ų128125.7 Ų125.767%0.6765%0.652SS**Hα-helixtrans-83.6-25.4175-70.4170.4000113.5L35 Y36 S37L35-L39 WeakPolarHBondContact O-CG 3.33Å; L35-L39 PolarHBondContact O-N 3.49Å; Y36-L39 PolarHBondContact O-N 2.83Å; S37-L39 VanDerWaalsContact C-N 3.31Å; S37-L39 PolarHBondContact O-N 3.06Å
40H64.7Low58.7Low114 Ų114131.3 Ų131.353%0.52867%0.667SS.*Hα-helixtrans-111.5-16.8-171.1-70.3-63.5000115.6Y36 S37Y36-H40 AromaticContact CD1-CD2 3.76Å; Y36-H40 AromaticContact CD2-CD2 3.88Å; Y36-H40 AromaticContact CE1-CD2 3.57Å; Y36-H40 AromaticContact CE2-CD2 3.7Å; Y36-H40 AromaticContact CE2-NE2 3.64Å; Y36-H40 AromaticContact CG-CD2 3.91Å; Y36-H40 AromaticContact CZ-CD2 3.54Å; Y36-H40 AromaticContact CZ-NE2 3.73Å; Y36-H40 PolarHBondContact O-CD2 2.71Å; Y36-H40 VanDerWaalsContact O-CD2 3.26Å; Y36-H40 PolarHBondContact O-N 2.85Å; Y36-H40 VanDerWaalsContact O-N 3.12Å; S37-H40 PolarHBondContact O-N 3.29Å
41Y62.7Low57Low186 Ų186134.9 Ų134.973%0.72968%0.68SS**SBendtrans-112.85.4177.3-63-71.7000114.6S37 S43S37-Y41 WeakPolarHBondContact O-CB 3.49Å; S37-Y41 PolarHBondContact O-N 3.44Å; Y41-S43 PolarHBondContact O-N 3.21Å
42S52.4Low55.1Low88 Ų88139.3 Ų139.362%0.61570%0.695SS**  trans-7651.9176.566.40000113Q38Q38-S42 WeakPolarHBondContact O-CB 3.24Å; Q38-S42 PolarHBondContact O-OG 2.84Å
43S54.8Low53.1Low98 Ų98137.4 Ų137.469%0.68570%0.699SS**  trans-157.358.2-178-73.50000113Y41Y41-S43 PolarHBondContact O-N 3.21Å
44N46.3Very low51.3Low169 Ų169139.9 Ų139.990%0.90471%0.709SS**  trans-177.7109.3147-98.5-29.1000112
45S38.1Very low49.3Very low123 Ų123141.9 Ų141.986%0.8672%0.722SS**  trans-161.258.8162.571.10000112.9
46E40.8Very low47.4Very low197 Ų197145.3 Ų145.392%0.92174%0.735SS**  trans-92.4142.1160.7-67.6-142.3127.800111.2
47D38.6Very low46.2Very low124 Ų124143.2 Ų143.266%0.66374%0.74SS**  trans66.185.7160.2-137.812.1000121.6K49D47-K49 WeakPolarHBondContact OD1-CE 3.44Å; D47-K49 IonicContact OD1-NZ 3.21Å; D47-K49 PolarHBondContact OD1-NZ 2.94Å; D47-K49 IonicContact OD2-NZ 2.85Å; D47-K49 PolarHBondContact OD2-NZ 3.48Å
48A35.8Very low44.4Very low101 Ų101150 Ų15084%0.83577%0.765SS**  trans-151.354.6153.900000116.4
49K37.1Very low42.4Very low154 Ų154151.4 Ų151.467%0.6778%0.776SS**  trans30.8121.1146.5-71.5150-173.3131.40122D47D47-K49 WeakPolarHBondContact OD1-CE 3.44Å; D47-K49 IonicContact OD1-NZ 3.21Å; D47-K49 PolarHBondContact OD1-NZ 2.94Å; D47-K49 IonicContact OD2-NZ 2.85Å; D47-K49 PolarHBondContact OD2-NZ 3.48Å
50K35.2Very low40.6Very low197 Ų197149.9 Ų149.986%0.85778%0.775SS**  trans79.9112.4146-61.2173.1178.5173.10121.4
51K33.1Very low39Very low219 Ų219153.6 Ų153.695%0.95279%0.79SS**  -169.7174102.4-100.9167.2-173.6173.90112.6
52K32.7Very low37.5Very low204 Ų204152.8 Ų152.889%0.88780%0.797SS**  trans-99.5137.2-163.7-66.3176175177.30115.1
53S33.1Very low36.3Very low114 Ų114153.3 Ų153.380%0.79780%0.801SS**  trans173.9104.6130.447.20000108.9
54K34.5Very low35.4Very low199 Ų199154 Ų15487%0.86581%0.805SS**  52.796.679-168179.6-179.61790114.9
55I33.6Very low34.7Very low165 Ų165151.2 Ų151.285%0.84680%0.8SS**  -169.9132.5127.2-94.5151.8000108.3
56E31.9Very low34.4Very low174 Ų174154 Ų15481%0.81379%0.791SS**  trans-111.2-168.4168.6-45.6-174.5125.300108.5
57P46.8Very low34.1Very low100 Ų100154.1 Ų154.165%0.64979%0.789SS**  cis-127.4-160.6-8.1235000111.2
58K34.8Very low34.2Very low169 Ų169154.8 Ų154.874%0.73579%0.788SS**  cis-164.6142.633.5-70.7175.1-178.4177.50113.3
59I33.3Very low34.2Very low157 Ų157159.5 Ų159.581%0.80579%0.793SS**  trans68.3143.4136.3-64.1170.8000116.2
60S31.8Very low34Very low95 Ų95157.4 Ų157.466%0.66479%0.793SS**  cis-148.3152.714.237.90000114.1
61K30.8Very low34.1Very low193 Ų193155.5 Ų155.584%0.83979%0.79SS**  trans20146.8130.1-51.5179.1-177.1-179.70119.1
62L30.9Very low34.1Very low169 Ų169150.8 Ų150.889%0.88578%0.78SS**  cis-150.3179.730.5-160.964.9000112.1
63S29.3Very low34.3Very low98 Ų98148.1 Ų148.169%0.68577%0.774SS**  trans-110.1161-168.4-169.20000115.1
64S34Very low34.2Very low112 Ų112149.9 Ų149.978%0.78377%0.774SS**  trans73.5121.7150.8-54.80000120.7
65S32.6Very low34.5Very low112 Ų112145.3 Ų145.378%0.78377%0.767SS**  -140.3154.5119.8-167.90000109.4
66R32Very low34.7Very low182 Ų182143.4 Ų143.469%0.68777%0.768SS**  trans-133.6128.8-170.4170.5-175.7177.61604.6109.4E68R66-E68 IonicContact CZ-OE1 2.79Å; R66-E68 IonicContact CZ-OE2 3.66Å; R66-E68 IonicContact NE-OE1 2.81Å; R66-E68 IonicContact NE-OE2 2.74Å; R66-E68 PolarHBondContact NE-OE2 3.38Å; R66-E68 IonicContact NH2-OE1 2.73Å; R66-E68 PolarHBondContact NH2-OE1 3.36Å; R66-E68 IonicContact NH2-OE2 2.74Å; R66-E68 PolarHBondContact NH2-OE2 3.41Å
67F33.6Very low35.7Very low198 Ų198140.4 Ų140.487%0.86876%0.764SS**  trans-141.3131.4161-72.2-72.7000108.8
68E41.6Very low35.3Very low139 Ų139143.9 Ų143.965%0.6578%0.777SS**  trans-110137170.2-71.6136.611900108.1R66R66-E68 IonicContact CZ-OE1 2.79Å; R66-E68 IonicContact CZ-OE2 3.66Å; R66-E68 IonicContact NE-OE1 2.81Å; R66-E68 IonicContact NE-OE2 2.74Å; R66-E68 PolarHBondContact NE-OE2 3.38Å; R66-E68 IonicContact NH2-OE1 2.73Å; R66-E68 PolarHBondContact NH2-OE1 3.36Å; R66-E68 IonicContact NH2-OE2 2.74Å; R66-E68 PolarHBondContact NH2-OE2 3.41Å
69E34.7Very low35.5Very low200 Ų200141.5 Ų141.594%0.93578%0.777SS**  trans-148.1160.8144.3-164.2148.5-147.800109.7
70V33.2Very low35.6Very low110 Ų110142 Ų14267%0.66778%0.779SS**  trans-104.8139.6-160.91750000111.5V72V70-V72 HydrophobicContact CG1-CG2 3.83Å
71I36.9Very low35.7Very low156 Ų156142.5 Ų142.580%0.878%0.783SS**  trans-127.4126.6148.7-60.3-177.7000107.8I73I71-I73 HydrophobicContact CG2-CG1 4.45Å
72V34.5Very low35.7Very low120 Ų120140.8 Ų140.873%0.72778%0.781SS**  trans-89.7133.6172.6178.20000108.5V70V70-V72 HydrophobicContact CG1-CG2 3.83Å
73I36.7Very low35.9Very low149 Ų149138 Ų13876%0.76478%0.776SS**  trans-125.3122.6161.3-59.9-178000106.6I71I71-I73 HydrophobicContact CG2-CG1 4.45Å
74D30.4Very low36.2Very low150 Ų150140.4 Ų140.480%0.80278%0.781SS**  trans-74.4155.5-177.5-154.2-9.8000110.9
75S41.5Very low36.4Very low104 Ų104141.6 Ų141.673%0.72778%0.779SS**  trans-122.2125.5-174-67.60000111.7
76S37.6Very low36.8Very low124 Ų124143.8 Ų143.887%0.86778%0.781SS**  trans-148.7141.3157.9-78.40000110.3
77P52Low37.4Very low112 Ų112139.5 Ų139.573%0.72778%0.779SS**  trans-99.8160.9-168.838.9-35000112.8
78D38.8Very low37.8Very low173 Ų173137.1 Ų137.193%0.92578%0.776SS**  trans-132.2149156.5-109.4-43.5000109.8
79V38.8Very low37.8Very low118 Ų118137.3 Ų137.372%0.71578%0.781SS**  trans-129.5119.1-163.7-1790000110.8
80I35.3Very low38.4Very low169 Ų169135.3 Ų135.387%0.86777%0.772SS**  trans-134.9126.5163.6-57.9-177.7000108.7
81S33.7Very low38.8Very low105 Ų105137 Ų13773%0.73478%0.777SS**  trans-75.9145.5179.9-50.40000112.2
82I32.1Very low39Very low156 Ų156137.6 Ų137.680%0.878%0.782SS**  trans-101.9136.7158.5-57.6173000106.7
83S34.3Very low39.2Very low111 Ų111136 Ų13678%0.77678%0.781SS**  trans-128.8108.5176.658.30000109.8
84D35.9Very low39Very low148 Ų148134.3 Ų134.379%0.79178%0.783SS**  trans-72.1147.4170.1-51-64.8000110.4
85N38.9Very low39Very low138 Ų138133.3 Ų133.374%0.73878%0.782SS**  trans-152.580.6164.6-169.1107.1000109.9S87N85-S87 PolarHBondContact ND2-OG 3.26Å
86D39.6Very low38.5Very low157 Ų157134.6 Ų134.684%0.8479%0.789SS**  trans-67.2144.6154-84.2-53.2000109.4
87S44.5Very low38.3Very low92 Ų92132.9 Ų132.964%0.64378%0.782SS**  trans-158.1122.2169.5-65.20000108.2N85N85-S87 PolarHBondContact ND2-OG 3.26Å
88D42.8Very low37.6Very low148 Ų148136.1 Ų136.179%0.79179%0.793SS**  trans-82.5-165.8-171.7-57.6-89.6000113.9
89D42.2Very low37.2Very low144 Ų144137.7 Ų137.777%0.7779%0.791SS**  trans92.596.8157.1-60-31.4000119.9
90E47.2Very low36.8Very low157 Ų157136.8 Ų136.873%0.73480%0.796SS**  60.8141.8124.9-51.4-54.367.600123.7
91D41.5Very low36.7Very low145 Ų145138.9 Ų138.978%0.77580%0.799SS**  trans42.5113.8140.7-65.6-9.7000120.9
92D41Very low36.4Very low170 Ų170137.4 Ų137.491%0.90980%0.8SS**  -155.3159.6107.1-137.8-26.2000112.7
93A39.1Very low36.3Very low85 Ų85135.2 Ų135.270%0.70280%0.799SS**  trans-128.9153.4-177.500000114
94S31.7Very low36.1Very low115 Ų115136.9 Ų136.980%0.80480%0.799SS**  trans103.4162.3151.2-154.20000119.8
95V31.6Very low35.6Very low129 Ų129135.4 Ų135.478%0.78280%0.795SS**  trans71.1114.1169.4-164.60000118.5
96C30.4Very low35Very low131 Ų131135.8 Ų135.889%0.88580%0.796SS**  trans-101.9126.7168.2-53.20000112.3
97A32.8Very low34.6Very low87 Ų87136.1 Ų136.172%0.71979%0.793SS**  trans-170.5149.8152.100000107.7
98L36.8Very low33.8Very low180 Ų180137.6 Ų137.694%0.94280%0.798SS**  cis-134.3-175.231.4-84.8166.3000113.6
99K31Very low33.1Very low206 Ų206135.6 Ų135.690%0.89680%0.795SS**  trans-130.2121.4-156.3169.8-176.5178177.30111.9
100A29.8Very low32.7Very low100 Ų100135 Ų13583%0.82680%0.798SS**  trans-132.8147.2169.500000112.4
101K34.8Very low32.7Very low212 Ų212133.6 Ų133.692%0.92280%0.802SS**  trans-67.9164.6178.1-57.7147-176.7175.10109.4
102G27.3Very low32.2Very low74 Ų74131.3 Ų131.376%0.76380%0.803SS**  cis13813913.800000108.4
103S30Very low31.9Very low110 Ų110131.3 Ų131.377%0.76980%0.798SS**  trans-73141.4-162.3-170.70000115.5
104L29.1Very low31.5Very low147 Ų147134.7 Ų134.777%0.7780%0.799SS**  175.1132.9112.7-91.3167.5000115.4
105T26.6Very low31.3Very low116 Ų116135.8 Ų135.871%0.71280%0.8SS**  trans12.3135.5150.554.30000123.7
106L26.2Very low31.2Very low147 Ų147138.2 Ų138.277%0.7780%0.803SS**  -175.8126.8123.8-95.1162.4000110.1
107Q31Very low31.1Very low164 Ų164138.3 Ų138.377%0.76679%0.791SS**  61.5124108-80.2-1707.900116.7
108T26.1Very low30.9Very low123 Ų123142.2 Ų142.276%0.75580%0.798SS**  cis108.8140.537.850.60000112.7
109S28.3Very low30.4Very low105 Ų105140.6 Ų140.673%0.73478%0.783SS**  trans-146.1116.6163.935.30000108.3
110T34.7Very low30.3Very low133 Ų133135.6 Ų135.682%0.81677%0.774SS**  75.5153.57255.50000115.1
111P46.8Very low30.4Very low126 Ų126138.7 Ų138.782%0.81877%0.772SS**  cis-131.2-176.6-8.633.3-12.6000115.3
112A30.1Very low30.2Very low98 Ų98136.6 Ų136.681%0.8176%0.763SS**  trans-151.8165.6166.100000112.1
113Q35.3Very low30.4Very low170 Ų170143.6 Ų143.679%0.79477%0.766SS**  trans-153.2157.2171.1-79.3-161.3-8.700108.5
114Q31.1Very low30.5Very low156 Ų156148 Ų14873%0.72977%0.771SS**  cis-160.1-176.211.1-134.8-179.357.500111.8
115V27.2Very low30.4Very low137 Ų137144.7 Ų144.783%0.8377%0.773SS**  trans88.8151.1166.5-162.70000117.8
116E30Very low30.5Very low181 Ų181145.1 Ų145.185%0.84678%0.78SS**  trans-126.7178.6-152.4-59.7-164.9136.500118
117E27.8Very low30.7Very low133 Ų133145.8 Ų145.862%0.62178%0.784SS**  trans11.7139.5162.7-74.6-141.7151.400123K119E117-K119 IonicContact OE1-NZ 3.8Å; E117-K119 PolarHBondContact OE1-NZ 3.13Å; E117-K119 IonicContact OE2-NZ 3.08Å; E117-K119 PolarHBondContact OE2-NZ 3.38Å
118I28.2Very low30.5Very low169 Ų169147 Ų14787%0.86779%0.787SS**  -162.4157.7111.1-99.5158000110.8
119K27.4Very low30.6Very low145 Ų145147.3 Ų147.363%0.6379%0.788SS**  trans-100.9141.9-168.3-62.2158.5175.4100.70113.1E117E117-K119 IonicContact OE1-NZ 3.8Å; E117-K119 PolarHBondContact OE1-NZ 3.13Å; E117-K119 IonicContact OE2-NZ 3.08Å; E117-K119 PolarHBondContact OE2-NZ 3.38Å
120S29.1Very low31.8Very low102 Ų102147.7 Ų147.771%0.71379%0.788SS**  161.1132122.7-77.90000118.7
121Q31.9Very low31.4Very low165 Ų165147.9 Ų147.977%0.77179%0.789SS**  trans66113.6135.3-65.4-167.451.700124.6
122K29.5Very low30.4Very low168 Ų168146.3 Ų146.373%0.7379%0.786SS**  93.292.1113.7-165.2179.7-179.2-1780122
123R31.6Very low30.3Very low220 Ų220147.9 Ų147.983%0.8379%0.786SS**  trans72.5125.2133.6-71.1-174.5172.9-174-1.5122.5
124K32.5Very low30Very low204 Ų204146.1 Ų146.189%0.88779%0.786SS**  trans71.5122.3141.7-71-173.4171.5-167.10119.9
125G27.9Very low29.9Very low77 Ų77143.7 Ų143.779%0.79479%0.787SS**  trans169.1125.5158.200000110.3
126S27.8Very low30.1Very low124 Ų124142.3 Ų142.387%0.86778%0.783SS**  trans-84.7137.6177.7-167.90000110.6
127L29.7Very low30.3Very low162 Ų162138.6 Ų138.685%0.84878%0.777SS**  trans-86158.8174.8-75.4167.2000112.4
128F26.4Very low30.7Very low190 Ų190137.4 Ų137.483%0.83378%0.783SS**  trans-159.1150167.6-123.9-67.8000109.4
129V29.3Very low30.9Very low129 Ų129138.8 Ų138.878%0.78279%0.786SS**  trans66.9170.1167.4-108.70000117.5
130P54.1Low31.2Very low113 Ų113137 Ų13773%0.73479%0.791SS**  -135-171.8-122.545.4-25.5000116.9
131V25.9Very low31.5Very low137 Ų137136.5 Ų136.583%0.8379%0.788SS**  trans-145.4134168.6-175.90000106.4
132A24.8Very low31.6Very low92 Ų92137.3 Ų137.376%0.7679%0.792SS**  cis94.3155.93100000114.5
133V29.4Very low31.8Very low132 Ų132134.5 Ų134.580%0.879%0.793SS**  trans-132-178.4-151.7-77.10000115.2
134V27.4Very low32Very low132 Ų132128.5 Ų128.580%0.879%0.791SS**  trans85.1154.9168.5-34.90000117.6
135S30.5Very low32.2Very low106 Ų106123.8 Ų123.874%0.74178%0.784SS**  cis176.9156.6-25.7-93.10000108.6
136S31.8Very low32.6Very low107 Ų107128.4 Ų128.475%0.74879%0.785SS**  cis-139.9-124.1-14.5-73.10000107.3
137S33.3Very low32.9Very low104 Ų104128 Ų12873%0.72778%0.782SS**  cis-173.6172.7-13-115.20000108
138S36.8Very low33.7Very low107 Ų107128.2 Ų128.275%0.74878%0.779SS**  cis177.4113.9-32.1-81.90000110.7
139E31.2Very low34.2Very low198 Ų198124.8 Ų124.893%0.92578%0.776SS**  trans-148.6179.6164.569.3-179.4104.500115.3
140S34.3Very low34.6Very low107 Ų107126.1 Ų126.175%0.74878%0.777SS**  trans-80.6173.7-149.6-2.10000118.7
141S36.3Very low34Very low93 Ų93127.6 Ų127.665%0.6578%0.779SS**  cis-166.6170.7-0.644.10000114.1
142E33.4Very low34.5Very low181 Ų181126.6 Ų126.685%0.84678%0.778SS**  trans71.1140.5159.4-43.2-173.8-143.900120.1
143S33.2Very low35.1Very low109 Ų109126.9 Ų126.976%0.76278%0.775SS**  cis-158.5153.1-18.650.70000113.5
144A35.9Very low35.9Very low95 Ų95128.3 Ų128.379%0.78578%0.778SS**  trans10.4154.6158.700000123.4
145S37.4Very low37.1Very low105 Ų105128.1 Ų128.173%0.73478%0.777SS**  cis-177.5-176.5-12.153.50000107.8
146E35.5Very low37.9Very low174 Ų174130.4 Ų130.481%0.81378%0.781SS**  cis-146.1159.23.5-59.8179168.200110
147S35.2Very low38.9Very low115 Ų115132.5 Ų132.580%0.80478%0.784SS**  trans167.4145.8131.643.30000112.5
148E45.2Very low39.7Very low166 Ų166135.2 Ų135.278%0.77679%0.789SS**  trans-90.4137.9-154.9-63-74.699.700116.7
149P38.2Very low40.3Very low119 Ų119138 Ų13877%0.77379%0.79SS**  trans-118.1119156.534.6-22000112.4
150L37.4Very low40.8Very low156 Ų156135.2 Ų135.282%0.81778%0.781SS**  trans-99.4103.7178.1-75.3173.9000113.4
151D40.4Very low41.6Very low144 Ų144141.6 Ų141.677%0.7779%0.789SS**  trans11.4125.7142.3-164.211.5000119.9
152S37.1Very low41.9Very low116 Ų116145.5 Ų145.581%0.81180%0.799SS**  trans-175.967.8163.4174.70000112.1
153S38.1Very low42.7Very low98 Ų98143.1 Ų143.169%0.68579%0.791SS**  trans-109.677.8176.363.60000113.8
154D46.3Very low43.3Very low163 Ų163146.3 Ų146.387%0.87280%0.799SS**  trans-126.470.2173.2-92-33000110.1
155V51.6Low43.5Very low128 Ų128144.6 Ų144.678%0.77679%0.79SS**  trans-138.814.2-173.9-68.10000116.8
156D47.9Very low44.1Very low154 Ų154149.2 Ų149.282%0.82480%0.8SS**  trans-105.1-6.2179.4-71.5-66.9000114.8L158D156-L158 PolarHBondContact O-N 3.22Å
157D51.8Low44.3Very low151 Ų151143.8 Ų143.881%0.80779%0.791SS**THydrogen-bonded Turntrans-82.218.9-168-134.116.6000114.8
158L50.3Low45.2Very low160 Ų160150.2 Ų150.284%0.83880%0.797SS**THydrogen-bonded Turntrans-117.6-9.5-172-122.679.2000116.7D156D156-L158 PolarHBondContact O-N 3.22Å
159E48.7Very low45.3Very low166 Ų166150.6 Ų150.678%0.77680%0.799SS**SBendtrans-94.1-16.5-178.6-167.4146.5-140.700113.7W161E159-W161 PolarHBondContact O-N 3.13Å
160N43.2Very low45.8Very low139 Ų139152.2 Ų152.274%0.74380%0.801SS**THydrogen-bonded Turntrans-76.613.1-170.6-146.246.5000115.7
161W50.1Low46.5Very low242 Ų242152.2 Ų152.292%0.91780%0.797SS**THydrogen-bonded Turntrans-95.7-3.6178.4-75.672000114.1E159E159-W161 PolarHBondContact O-N 3.13Å
162M44Very low47Very low174 Ų174152.2 Ų152.286%0.85780%0.797SS**SBendtrans-129.715-172.8-144.1-176.7-55.900115.8
163I48.9Very low47.6Very low131 Ų131154.4 Ų154.467%0.67280%0.795SS**  trans-110.498.4173-58.9177.1000109.3G165I163-G165 VanDerWaalsContact C-N 3.31Å; I163-G165 PolarHBondContact O-N 3.41Å
164L46.8Very low48.4Very low176 Ų176154.1 Ų154.192%0.92179%0.792SS**  trans-71.489166-69.8175.1000108.9
165G39.1Very low48.4Very low59 Ų59153.7 Ų153.761%0.60879%0.788SS**  trans-59.5139.9175.800000111.4I163 G167I163-G165 VanDerWaalsContact C-N 3.31Å; I163-G165 PolarHBondContact O-N 3.41Å; G165-G167 PolarHBondContact O-N 3.4Å
166Q49.4Very low48.3Very low203 Ų203151.9 Ų151.995%0.94978%0.782SS**  trans-7653.3177.6-68-178-49.500112.4
167G40.7Very low48.2Very low59 Ų59151.3 Ų151.361%0.60878%0.778SS**  trans-72.2131.1164.100000109.7G165 Q169G165-G167 PolarHBondContact O-N 3.4Å; G167-Q169 PolarHBondContact O-N 3.29Å; G167-Q169 VanDerWaalsContact O-N 3.12Å
168R54.9Low47.8Very low251 Ų251151.7 Ų151.795%0.94778%0.78SS**  trans-78.691.1167.6-60.1179-172.9-166.10.8107.1
169Q47Very low47.9Very low174 Ų174150 Ų15081%0.81378%0.776SS**PPolyproline II helixtrans-88.9145.3169.7-70.1-171.9-32.900109.4G167G167-Q169 PolarHBondContact O-N 3.29Å; G167-Q169 VanDerWaalsContact O-N 3.12Å
170D48.3Very low47.5Very low153 Ų153151.1 Ų151.182%0.81878%0.781SS**PPolyproline II helixtrans-64.7160.6178-59.5-68.9000111.1D172D170-D172 PolarHBondContact O-N 3.21Å
171E51.1Low47.3Very low155 Ų155147.6 Ų147.672%0.72478%0.778SS**PPolyproline II helixtrans-66.9117.3-168.6-58.1174.7169.200111.8Q173E171-Q173 HydrophobicContact CB-CG 3.88Å; E171-Q173 PolarHBondContact O-N 3.1Å; E171-Q173 PolarHBondContact OE2-NE2 3.33Å
172D51.1Low46.7Very low145 Ų145142.1 Ų142.178%0.77577%0.771SS**  trans-67.755.9176.4-90.6-31.6000113D170 S174D170-D172 PolarHBondContact O-N 3.21Å; D172-S174 PolarHBondContact O-N 2.89Å
173Q50.8Low46.2Very low162 Ų162138.9 Ų138.976%0.75777%0.765SS**  trans-74.630.1-179.2-59.3-158.623.100113.8E171E171-Q173 HydrophobicContact CB-CG 3.88Å; E171-Q173 PolarHBondContact O-N 3.1Å; E171-Q173 PolarHBondContact OE2-NE2 3.33Å
174S53.8Low45.5Very low91 Ų91143 Ų14364%0.63677%0.774SS**  trans-150.850-178.771.20000116.2D172 S176D172-S174 PolarHBondContact O-N 2.89Å; S174-S176 PolarHBondContact O-N 2.93Å
175I47.9Very low45Very low154 Ų154140.1 Ų140.179%0.7977%0.768SS**  trans-77.476.8150.4-56.2-176.6000107.8L177I175-L177 VanDerWaalsContact C-N 3.34Å; I175-L177 PolarHBondContact O-N 3.32Å
176S48.3Very low45Very low91 Ų91142.7 Ų142.764%0.63678%0.777SS**  trans-71.684.1-176.5-58.70000111.5S174 N178S174-S176 PolarHBondContact O-N 2.93Å; S176-N178 PolarHBondContact O-N 3.03Å
177L45.3Very low44.4Very low142 Ų142137.9 Ų137.974%0.74377%0.766SS**  trans-66.2114.1164.4-64.1177.7000108.4I175 V179I175-L177 VanDerWaalsContact C-N 3.34Å; I175-L177 PolarHBondContact O-N 3.32Å; L177-V179 HydrophobicContact CB-CG2 4.5Å; L177-V179 PolarHBondContact O-N 2.76Å
178N44.9Very low43.9Very low158 Ų158141.4 Ų141.485%0.84578%0.775SS**  trans-7260.8179.7-98.583.6000112.6S176S176-N178 PolarHBondContact O-N 3.03Å
179V51.6Low43.3Very low125 Ų125134 Ų13476%0.75877%0.768SS**  trans-103.387.7170.1-175.10000107.3L177 G181L177-V179 HydrophobicContact CB-CG2 4.5Å; L177-V179 PolarHBondContact O-N 2.76Å; V179-G181 PolarHBondContact O-N 2.77Å
180E40.9Very low42.8Very low190 Ų190131.6 Ų131.689%0.88877%0.765SS**  trans-73.586.8-176.5-167.6163.5-154.700110.6
181G38.2Very low42Very low65 Ų65134.1 Ų134.167%0.6777%0.765SS**PPolyproline II helixtrans-73.2123.6-179.900000112.2V179 S183V179-G181 PolarHBondContact O-N 2.77Å; G181-S183 PolarHBondContact O-N 3.17Å
182V38.1Very low41.3Very low126 Ų126131.6 Ų131.676%0.76476%0.759SS**PPolyproline II helixtrans-58.6128.7173.9178.70000110.2Y184V182-Y184 VanDerWaalsContact O-CD1 3.29Å; V182-Y184 WeakPolarHBondContact O-CD1 3.43Å; V182-Y184 WeakPolarHBondContact O-CE1 3.47Å; V182-Y184 PolarHBondContact O-N 2.8Å
183S33.3Very low40.5Very low106 Ų106130.8 Ų130.874%0.74176%0.763SS**PPolyproline II helixtrans-72.1121.4-179.944.40000112.1G181G181-S183 PolarHBondContact O-N 3.17Å
184Y33.4Very low39.9Very low218 Ų218129.7 Ų129.786%0.85576%0.762SS**PPolyproline II helixtrans-93.8117.4178.716.8-95.1000111.3V182V182-Y184 VanDerWaalsContact O-CD1 3.29Å; V182-Y184 WeakPolarHBondContact O-CD1 3.43Å; V182-Y184 WeakPolarHBondContact O-CE1 3.47Å; V182-Y184 PolarHBondContact O-N 2.8Å
185S37.4Very low39Very low116 Ų116136.3 Ų136.381%0.81177%0.773SS**  trans-115.1103.5175.8-71.80000111.6
186S39.7Very low38.7Very low112 Ų112132.7 Ų132.778%0.78377%0.773SS**SBendtrans76.2135.5162.4-155.60000120.5
187S35.8Very low38.2Very low102 Ų102137.8 Ų137.871%0.71379%0.787SS**  trans76.4129.4156.269.60000121
188T30.4Very low38.1Very low133 Ų133139.8 Ų139.882%0.81679%0.793SS**  trans49.588.6154.949.30000118.8
189A41.5Very low38Very low95 Ų95135.4 Ų135.479%0.78579%0.785SS**  trans-61.9139.9138.700000109.5
190V38.1Very low37.8Very low124 Ų124138.4 Ų138.475%0.75279%0.787SS**  -160.9164.295-1640000108.3
191Y31.1Very low38.3Very low207 Ų207140.5 Ų140.581%0.81279%0.788SS**  trans85.1104.9165.6-72.1-84.8000120.9
192V35.9Very low39.1Very low101 Ų101145.4 Ų145.461%0.61280%0.796SS**  62111.9128.1-179.30000120.8L194V192-L194 HydrophobicContact CG1-CB 4.47Å; V192-L194 HydrophobicContact CG1-CD1 3.86Å; V192-L194 HydrophobicContact CG1-CG 3.74Å
193C34.4Very low40Very low128 Ų128142 Ų14287%0.86578%0.776SS**  trans-138.4114.5130.9-81.40000106.3
194L37.2Very low41.6Very low139 Ų139139.5 Ų139.573%0.72876%0.759SS**  58.6108.862.7-74.2173.8000115.7V192V192-L194 HydrophobicContact CG1-CB 4.47Å; V192-L194 HydrophobicContact CG1-CD1 3.86Å; V192-L194 HydrophobicContact CG1-CG 3.74Å
195R34.8Very low42.9Very low231 Ų231135.1 Ų135.187%0.87275%0.746SS**SBendtrans56.776.2142.4-159.4-163.5-56.4-97.42.5118.1
196G42.8Very low44.2Very low77 Ų77137.3 Ų137.379%0.79474%0.741SS**  trans52.797.213500000119.3
197E37.4Very low45.3Very low198 Ų198135.1 Ų135.193%0.92572%0.72SS**  trans-118.6159.7144-76.6-163.4152.200109.8G199E197-G199 PolarHBondContact O-N 3.33Å
198E43.9Very low46.7Very low185 Ų185135.3 Ų135.386%0.86471%0.708SS**  trans-71.1128.5-175.5-64.4178.3-167.400111.4K200E198-K200 VanDerWaalsContact C-N 3.28Å; E198-K200 PolarHBondContact O-N 2.88Å
199G42.7Very low48Very low65 Ų65136.1 Ų136.167%0.6770%0.703SS**  trans-65.28317700000112.1E197 W201E197-G199 PolarHBondContact O-N 3.33Å; G199-W201 VanDerWaalsContact C-N 3.33Å; G199-W201 PolarHBondContact O-N 2.87Å
200K47.3Very low48.9Very low188 Ų188134.4 Ų134.482%0.81769%0.688SS**  trans-75.581-176.4-171.5178.7179.5179.80110.9E198 I202E198-K200 VanDerWaalsContact C-N 3.28Å; E198-K200 PolarHBondContact O-N 2.88Å; K200-I202 PolarHBondContact O-N 3.35Å; K200-I202 VanDerWaalsContact O-N 3.1Å
201W49.8Very low49.9Very low235 Ų235134.3 Ų134.389%0.8968%0.68SS**  trans-46.5115.1173.5-66.388.1000111.1G199 V203G199-W201 VanDerWaalsContact C-N 3.33Å; G199-W201 PolarHBondContact O-N 2.87Å; W201-V203 PolarHBondContact O-N 2.91Å
202I55Low51Low167 Ų167130 Ų13086%0.85667%0.669SS**  trans-80102.8-178.3-58.1178.6000108.1K200K200-I202 PolarHBondContact O-N 3.35Å; K200-I202 VanDerWaalsContact O-N 3.1Å
203V57.9Low52.2Low56 Ų56130.1 Ų130.134%0.33966%0.662SS.*  trans-69.2127.5176-1800000109.3W201 D207 K208W201-V203 PolarHBondContact O-N 2.91Å; V203-D207 HydrophobicContact CG1-CB 3.48Å; V203-D207 VanDerWaalsContact CG1-CB 3.48Å; V203-K208 HydrophobicContact CG1-CG 4.16Å; V203-K208 WeakPolarHBondContact O-CE 3.17Å
204S67.3Low53.1Low53 Ų53132 Ų13237%0.37166%0.664SS.*  trans-67.2160.8-176.984.90000112.2K206 D207 K208S204-K206 VanDerWaalsContact C-N 3.26Å; S204-K206 PolarHBondContact O-N 3.28Å; S204-K206 PolarHBondContact OG-N 3.03Å; S204-D207 VanDerWaalsContact CB-OD2 3.31Å; S204-D207 WeakPolarHBondContact CB-OD2 3.39Å; S204-D207 PolarHBondContact O-N 3.23Å; S204-D207 VanDerWaalsContact O-N 3.14Å; S204-D207 VanDerWaalsContact OG-CG 3.29Å; S204-D207 PolarHBondContact OG-N 3.29Å; S204-D207 PolarHBondContact OG-OD2 2.95Å; S204-K208 WeakPolarHBondContact O-CG 3.07Å; S204-K208 PolarHBondContact O-N 2.93Å; S204-K208 VanDerWaalsContact O-N 3.1Å
205E61.2Low53.8Low126 Ų126132.1 Ų132.159%0.58966%0.658SS**Hα-helixtrans-54.4-43.6176.4-140.975.4-94.900111.6D207 K208 E209E205-D207 VanDerWaalsContact C-N 3.35Å; E205-D207 PolarHBondContact O-N 2.83Å; E205-K208 WeakPolarHBondContact O-CB 3.38Å; E205-K208 PolarHBondContact O-N 3.42Å; E205-K208 WeakPolarHBondContact OE1-CD 3.44Å; E205-K208 WeakPolarHBondContact OE1-CE 3.49Å; E205-K208 IonicContact OE1-NZ 2.81Å; E205-K208 PolarHBondContact OE1-NZ 2.91Å; E205-K208 IonicContact OE2-NZ 3.1Å; E205-E209 WeakPolarHBondContact O-CG 3.24Å; E205-E209 PolarHBondContact O-N 2.81Å
206K63.2Low54.3Low161 Ų161124.2 Ų124.270%0.765%0.649SS**Hα-helixtrans-64.9-34.2178.7-72.2175.7175.9173.10113.2S204 E209 A210S204-K206 VanDerWaalsContact C-N 3.26Å; S204-K206 PolarHBondContact O-N 3.28Å; S204-K206 PolarHBondContact OG-N 3.03Å; K206-E209 PolarHBondContact O-N 3.05Å; K206-A210 VanDerWaalsContact O-CB 3.31Å; K206-A210 WeakPolarHBondContact O-CB 3.26Å; K206-A210 PolarHBondContact O-N 3.32Å
207D63.9Low54.6Low66 Ų66130.7 Ų130.735%0.35366%0.658SS.*Hα-helixtrans-74.4-30.7177.1-62.8-56.4000112.1V203 S204 E205 Q211 I212V203-D207 HydrophobicContact CG1-CB 3.48Å; V203-D207 VanDerWaalsContact CG1-CB 3.48Å; S204-D207 VanDerWaalsContact CB-OD2 3.31Å; S204-D207 WeakPolarHBondContact CB-OD2 3.39Å; S204-D207 PolarHBondContact O-N 3.23Å; S204-D207 VanDerWaalsContact O-N 3.14Å; S204-D207 VanDerWaalsContact OG-CG 3.29Å; S204-D207 PolarHBondContact OG-N 3.29Å; S204-D207 PolarHBondContact OG-OD2 2.95Å; E205-D207 VanDerWaalsContact C-N 3.35Å; E205-D207 PolarHBondContact O-N 2.83Å; D207-Q211 PolarHBondContact O-N 3.12Å; D207-I212 PolarHBondContact O-N 3.35Å
208K65.1Low55Low107 Ų107123.9 Ų123.947%0.46564%0.641SS.*Hα-helixtrans-65.1-47.2169.3-59167.1-1501680110.3V203 S204 E205 A210 Q211V203-K208 HydrophobicContact CG1-CG 4.16Å; V203-K208 WeakPolarHBondContact O-CE 3.17Å; S204-K208 WeakPolarHBondContact O-CG 3.07Å; S204-K208 PolarHBondContact O-N 2.93Å; S204-K208 VanDerWaalsContact O-N 3.1Å; E205-K208 WeakPolarHBondContact O-CB 3.38Å; E205-K208 PolarHBondContact O-N 3.42Å; E205-K208 WeakPolarHBondContact OE1-CD 3.44Å; E205-K208 WeakPolarHBondContact OE1-CE 3.49Å; E205-K208 IonicContact OE1-NZ 2.81Å; E205-K208 PolarHBondContact OE1-NZ 2.91Å; E205-K208 IonicContact OE2-NZ 3.1Å; K208-A210 PolarHBondContact O-N 3.32Å; K208-Q211 PolarHBondContact O-N 3.48Å
209E56.4Low55.2Low149 Ų149121.1 Ų121.170%0.69664%0.639SS**Hα-helixtrans-58.9-44.1175.6-70.4174.8157.400111.8E205 K206 Q211E205-E209 WeakPolarHBondContact O-CG 3.24Å; E205-E209 PolarHBondContact O-N 2.81Å; K206-E209 PolarHBondContact O-N 3.05Å; E209-Q211 PolarHBondContact O-N 3.43Å
210A61.2Low55.5Low59 Ų59130 Ų13049%0.48865%0.652SS.*THydrogen-bonded Turntrans-72.5-3176.100000114.3K206 K208 I212K206-A210 VanDerWaalsContact O-CB 3.31Å; K206-A210 WeakPolarHBondContact O-CB 3.26Å; K206-A210 PolarHBondContact O-N 3.32Å; K208-A210 PolarHBondContact O-N 3.32Å; A210-I212 HydrophobicContact CB-CD1 3.86Å; A210-I212 HydrophobicContact CB-CG1 3.78Å; A210-I212 WeakPolarHBondContact O-CG1 3.46Å; A210-I212 PolarHBondContact O-N 2.99Å
211Q58.3Low55.4Low123 Ų123128.1 Ų128.158%0.57565%0.65SS**THydrogen-bonded Turntrans58.225.5-176.8-54.5-172.1-4.700114.7D207 K208 E209 F213D207-Q211 PolarHBondContact O-N 3.12Å; K208-Q211 PolarHBondContact O-N 3.48Å; E209-Q211 PolarHBondContact O-N 3.43Å; Q211-F213 VanDerWaalsContact C-N 3.28Å; Q211-F213 PolarHBondContact O-N 3.13Å
212I55.6Low55.5Low115 Ų115121.7 Ų121.759%0.5965%0.647SS**  trans-8865.9-177.7-47.4179.3000109.6D207 A210D207-I212 PolarHBondContact O-N 3.35Å; A210-I212 HydrophobicContact CB-CD1 3.86Å; A210-I212 HydrophobicContact CB-CG1 3.78Å; A210-I212 WeakPolarHBondContact O-CG1 3.46Å; A210-I212 PolarHBondContact O-N 2.99Å
213F61.5Low55Low105 Ų105118.3 Ų118.346%0.46163%0.634SS.*  trans-127.3140177.270.7-85.6000113.2Q211 K215Q211-F213 VanDerWaalsContact C-N 3.28Å; Q211-F213 PolarHBondContact O-N 3.13Å; F213-K215 HydrophobicContact CD2-CG 3.91Å; F213-K215 HydrophobicContact CE2-CD 4.22Å; F213-K215 HydrophobicContact CE2-CG 3.48Å; F213-K215 VanDerWaalsContact CE2-CG 3.48Å; F213-K215 HydrophobicContact CZ-CD 4.37Å; F213-K215 HydrophobicContact CZ-CG 4.11Å; F213-K215 PolarHBondContact O-N 3.25Å; F213-K215 VanDerWaalsContact O-N 3.13Å
214N52Low54.9Low168 Ų168123.9 Ų123.990%0.89866%0.656SS**  trans-68108.2174.6-74-38.8000109.8G216N214-G216 PolarHBondContact O-N 3.3Å
215K52.1Low54.1Low140 Ų140132.1 Ų132.161%0.60968%0.679SS**  trans-73.591.4177.1-78.6179.2176.2174.20110.9F213F213-K215 HydrophobicContact CD2-CG 3.91Å; F213-K215 HydrophobicContact CE2-CD 4.22Å; F213-K215 HydrophobicContact CE2-CG 3.48Å; F213-K215 VanDerWaalsContact CE2-CG 3.48Å; F213-K215 HydrophobicContact CZ-CD 4.37Å; F213-K215 HydrophobicContact CZ-CG 4.11Å; F213-K215 PolarHBondContact O-N 3.25Å; F213-K215 VanDerWaalsContact O-N 3.13Å
216G44.8Very low53.5Low65 Ų65133 Ų13367%0.6769%0.685SS**  trans-56.9170.616400000112.8N214 G218N214-G216 PolarHBondContact O-N 3.3Å; G216-G218 PolarHBondContact O-N 3.17Å; G216-G218 VanDerWaalsContact O-N 3.16Å
217Q49Very low53.2Low213 Ų213130.4 Ų130.4100%0.99569%0.687SS**SBendtrans-62.1116.1-166.1-71.2148.1-61.500113.3
218G47.7Very low53Low55 Ų55131.9 Ų131.957%0.56769%0.694SS**  trans-154.1160.1171.500000111G216G216-G218 PolarHBondContact O-N 3.17Å; G216-G218 VanDerWaalsContact O-N 3.16Å
219P46.8Very low52.6Low127 Ų127136.9 Ų136.983%0.82571%0.711SS**  trans-63.1139.5-177.325.4-33.5000111.7I221P219-I221 PolarHBondContact O-N 2.98Å
220R48.9Very low52.5Low251 Ų251139.5 Ų139.595%0.94772%0.716SS**  trans-73.285.6-170.6-65.8-177.1-179125.6-0.2112.6A222R220-A222 PolarHBondContact O-N 2.93Å
221I45Very low52.2Low150 Ų150143.2 Ų143.277%0.76972%0.718SS**  trans-59.3130.3158.8-62.8172.9000107.9P219 V223P219-I221 PolarHBondContact O-N 2.98Å; I221-V223 VanDerWaalsContact C-N 3.26Å; I221-V223 PolarHBondContact O-N 2.97Å
222A51.9Low52Low99 Ų99141.7 Ų141.782%0.81872%0.717SS**  trans-76.472.2-174.800000111.9R220 H224R220-A222 PolarHBondContact O-N 2.93Å; A222-H224 PolarHBondContact O-N 3.02Å
223V45.3Very low52.1Low97 Ų97138.9 Ų138.959%0.58872%0.716SS**PPolyproline II helixtrans-58.7122.6171.4-173.90000108.5I221 R225I221-V223 VanDerWaalsContact C-N 3.26Å; I221-V223 PolarHBondContact O-N 2.97Å; V223-R225 PolarHBondContact O-N 3.18Å
224H54.8Low52Low172 Ų172142 Ų14280%0.79673%0.73SS**PPolyproline II helixtrans-52.5130.4174.5-171.4-76.8000109A222 M226A222-H224 PolarHBondContact O-N 3.02Å; H224-M226 PolarHBondContact O-N 3.36Å
225R50.4Low52.7Low226 Ų226140.7 Ų140.785%0.85372%0.723SS**PPolyproline II helixtrans-55.4121.3178.4-73.3-177.2179.4168.50.1108.3V223 S227V223-R225 PolarHBondContact O-N 3.18Å; R225-S227 PolarHBondContact O-N 3.41Å
226M50.6Low53.8Low145 Ų145135.5 Ų135.571%0.71470%0.701SS**PPolyproline II helixtrans-56.2125.9169.9-59.7173.29100106.7H224 N228H224-M226 PolarHBondContact O-N 3.36Å; M226-N228 PolarHBondContact O-N 2.78Å
227S56.9Low55.4Low106 Ų106139 Ų13974%0.74170%0.7SS**PPolyproline II helixtrans-57.4136.3173.2350000108.5R225 R229R225-S227 PolarHBondContact O-N 3.41Å; S227-R229 PolarHBondContact O-N 3.25Å
228N59Low56.9Low97 Ų97128.9 Ų128.952%0.51965%0.653SS.*PPolyproline II helixtrans-50.4128.7-177.4-70.69.5000109.6M226 Y230 Y231M226-N228 PolarHBondContact O-N 2.78Å; N228-Y230 PolarHBondContact O-N 2.7Å; N228-Y231 HydrophobicContact CB-CD2 3.7Å; N228-Y231 HydrophobicContact CB-CE2 4.33Å; N228-Y231 HydrophobicContact CB-CG 4.18Å; N228-Y231 WeakPolarHBondContact ND2-CE2 3.08Å; N228-Y231 PolarHBondContact O-N 3.27Å
229R56.7Low58.4Low213 Ų213137.3 Ų137.380%0.80467%0.667SS**THydrogen-bonded Turntrans-55.1-20.5-176.2-156.5178.5-72.4173.3-4.8113.5S227S227-R229 PolarHBondContact O-N 3.25Å
230Y54.3Low59.8Low204 Ų204131.9 Ų131.980%0.863%0.631SS**THydrogen-bonded Turntrans-94.9-3.1178.6-51.4-78.4000115.2N228N228-Y230 PolarHBondContact O-N 2.7Å
231Y53.6Low61.2Low137 Ų137121 Ų12154%0.53759%0.594SS.*  trans-113.656.5179.3-66.1-28.2000111.3N228 I236N228-Y231 HydrophobicContact CB-CD2 3.7Å; N228-Y231 HydrophobicContact CB-CE2 4.33Å; N228-Y231 HydrophobicContact CB-CG 4.18Å; N228-Y231 WeakPolarHBondContact ND2-CE2 3.08Å; N228-Y231 PolarHBondContact O-N 3.27Å; Y231-I236 HydrophobicContact CD1-CD1 3.55Å; Y231-I236 HydrophobicContact CD1-CG1 4.45Å; Y231-I236 HydrophobicContact CD2-CD1 4.35Å; Y231-I236 HydrophobicContact CE1-CD1 4.08Å; Y231-I236 HydrophobicContact CG-CD1 3.73Å
232T56Low62.7Low91 Ų91119.2 Ų119.256%0.55859%0.586SS**  trans-66.4139.4163.657.50000109.2K234T232-K234 PolarHBondContact O-N 3.2Å
233G56.3Low64Low55 Ų55120.7 Ų120.757%0.56757%0.574SS**THydrogen-bonded Turntrans-67.37.5-167.700000116.8G245G233-G245 WeakPolarHBondContact O-CA 3.23Å
234K60.8Low65.6Low172 Ų172120 Ų12075%0.74857%0.57SS**THydrogen-bonded Turntrans-94.2-39.6-175.1-59.4-174.3-179.9-176.10112.5T232T232-K234 PolarHBondContact O-N 3.2Å
235N66.4Low66.8Low140 Ų140114.2 Ų114.275%0.74956%0.556SS**SBendtrans-1030.6-170.3-64.820.3000114.1Q237N235-Q237 PolarHBondContact O-N 2.91Å
236I75.4Confident68.2Low30 Ų30105.3 Ų105.315%0.15452%0.524CS..  trans-83.2100.8-177.2-138.4164000110.6Y231 T244 G245 L247Y231-I236 HydrophobicContact CD1-CD1 3.55Å; Y231-I236 HydrophobicContact CD1-CG1 4.45Å; Y231-I236 HydrophobicContact CD2-CD1 4.35Å; Y231-I236 HydrophobicContact CE1-CD1 4.08Å; Y231-I236 HydrophobicContact CG-CD1 3.73Å; I236-T244 CarbonylContact O-C 3.55Å; I236-T244 VanDerWaalsContact O-CA 3.31Å; I236-T244 WeakPolarHBondContact O-CA 3.25Å; I236-G245 PolarHBondContact O-N 3.46Å; I236-L247 HydrophobicContact CD1-CD2 3.54Å; I236-L247 HydrophobicContact CD1-CG 4.05Å; I236-L247 HydrophobicContact CG1-CD2 4.04Å
237Q78.6Confident69.6Low140 Ų140102.5 Ų102.565%0.65451%0.512SS*.  trans-81.2131.2175.6-71.6-179.2-600111.4N235 R239 T244N235-Q237 PolarHBondContact O-N 2.91Å; Q237-R239 PolarHBondContact O-N 3.39Å; Q237-T244 HydrophobicContact CG-CG2 3.84Å
238C80.6Confident70.5Confident0 Ų099.7 Ų99.70%049%0.492CS..  trans-78.1109.1177.2179.90000111.1N240 C241 N242 K243 H246 C251C238-N240 PolarHBondContact O-N 3.28Å; C238-C241 PolarHBondContact O-N 3.31Å; C238-N242 WeakPolarHBondContact O-CA 3Å; C238-N242 PolarHBondContact O-N 2.95Å; C238-K243 VanDerWaalsContact CB-O 3.24Å; C238-K243 WeakPolarHBondContact CB-O 3.05Å; C238-K243 PolarHBondContact N-O 3.13Å; C238-H246 WeakPolarHBondContact CA-O 3.48Å; C238-H246 WeakPolarHBondContact CB-NE2 3.44Å; C238-H246 WeakPolarHBondContact CB-O 3.3Å; C238-H246 PolarHBondContact SG-NE2 3.35Å; C238-C251 VanDerWaalsContact SG-SG 3.64Å
239R77.3Confident71.1Confident232 Ų232104.3 Ų104.388%0.87551%0.508SS*.THydrogen-bonded Turntrans-60.77.2176.3-57.8-178.3173.6178.8-4.6115.9Q237 S248Q237-R239 PolarHBondContact O-N 3.39Å; R239-S248 WeakPolarHBondContact CB-OG 3.36Å; R239-S248 PolarHBondContact N-OG 3.02Å
240N77.4Confident71.9Confident12 Ų1298.4 Ų98.46%0.06450%0.499CS..THydrogen-bonded Turntrans-102.9-53.8175-169.441.7000111.7C238 C251 H253 P254 K256C238-N240 PolarHBondContact O-N 3.28Å; N240-C251 HydrophobicContact CB-CB 4.26Å; N240-C251 PolarHBondContact ND2-SG 2.82Å; N240-C251 VanDerWaalsContact ND2-SG 3.36Å; N240-H253 PolarHBondContact ND2-O 2.86Å; N240-H253 VanDerWaalsContact ND2-O 3.13Å; N240-P254 PolarHBondContact ND2-O 3.4Å; N240-P254 PolarHBondContact OD1-O 3.28Å; N240-K256 VanDerWaalsContact O-CD 3.23Å; N240-K256 WeakPolarHBondContact O-CD 3.36Å; N240-K256 WeakPolarHBondContact O-CE 3.41Å; N240-K256 PolarHBondContact O-NZ 3.34Å; N240-K256 PolarHBondContact OD1-N 3.42Å
241C76.9Confident73Confident24 Ų2489.8 Ų89.816%0.16247%0.468CS..THydrogen-bonded Turntrans-1133.5-177.266.80000114.1C238 K243 H246C238-C241 PolarHBondContact O-N 3.31Å; C241-K243 PolarHBondContact O-N 3.46Å; C241-H246 PolarHBondContact SG-CE1 3.34Å; C241-H246 PolarHBondContact SG-NE2 3.46Å; C241-H246 VanDerWaalsContact SG-NE2 3.41Å
242N77.8Confident74Confident111 Ų11188.6 Ų88.659%0.59448%0.477SS*.  trans59.4-4.9-177.9-59.64.3000116.2C238C238-N242 WeakPolarHBondContact O-CA 3Å; C238-N242 PolarHBondContact O-N 2.95Å
243K78.6Confident74.6Confident131 Ų13189 Ų8957%0.5747%0.472SS*.  trans-67.9146.7173.7-60.5179.9-179.6-178.20111.3C238 C241C238-K243 VanDerWaalsContact CB-O 3.24Å; C238-K243 WeakPolarHBondContact CB-O 3.05Å; C238-K243 PolarHBondContact N-O 3.13Å; C241-K243 PolarHBondContact O-N 3.46Å
244T78.9Confident75.3Confident82 Ų8291.9 Ų91.950%0.50348%0.481SS..SBendtrans-74.9178176.444.50000112.5I236 Q237 H246I236-T244 CarbonylContact O-C 3.55Å; I236-T244 VanDerWaalsContact O-CA 3.31Å; I236-T244 WeakPolarHBondContact O-CA 3.25Å; Q237-T244 HydrophobicContact CG-CG2 3.84Å; T244-H246 VanDerWaalsContact C-N 3.33Å; T244-H246 PolarHBondContact O-N 3.43Å; T244-H246 PolarHBondContact O-ND1 3.45Å
245G79.7Confident75.8Confident50 Ų5092.1 Ų92.152%0.51548%0.482SS..SBendtrans83.3-7.6170.400000116.3G233 I236G233-G245 WeakPolarHBondContact O-CA 3.23Å; I236-G245 PolarHBondContact O-N 3.46Å
246H81.1Confident75.8Confident40 Ų4092 Ų9219%0.18548%0.475CS..SBendtrans-151.2153.3179.768.3-74.2000113.9C238 C241 T244 C251C238-H246 WeakPolarHBondContact CA-O 3.48Å; C238-H246 WeakPolarHBondContact CB-NE2 3.44Å; C238-H246 WeakPolarHBondContact CB-O 3.3Å; C238-H246 PolarHBondContact SG-NE2 3.35Å; C241-H246 PolarHBondContact SG-CE1 3.34Å; C241-H246 PolarHBondContact SG-NE2 3.46Å; C241-H246 VanDerWaalsContact SG-NE2 3.41Å; T244-H246 VanDerWaalsContact C-N 3.33Å; T244-H246 PolarHBondContact O-N 3.43Å; T244-H246 PolarHBondContact O-ND1 3.45Å; H246-C251 PolarHBondContact NE2-SG 3.45Å; H246-C251 VanDerWaalsContact NE2-SG 3.38Å
247L79.6Confident75.4Confident86 Ų8694.2 Ų94.245%0.4549%0.49SS..  trans-79.2153.4174.2-73.4167.9000111.3I236 K249 S250 C251I236-L247 HydrophobicContact CD1-CD2 3.54Å; I236-L247 HydrophobicContact CD1-CG 4.05Å; I236-L247 HydrophobicContact CG1-CD2 4.04Å; L247-K249 PolarHBondContact O-N 2.81Å; L247-S250 CarbonylContact O-C 3.42Å; L247-S250 PolarHBondContact O-N 2.97Å; L247-C251 PolarHBondContact O-N 2.95Å
248S74.7Confident75Confident46 Ų4691.8 Ų91.832%0.32249%0.485SS..THydrogen-bonded Turntrans-58.2-13.4174.1-400000115R239R239-S248 WeakPolarHBondContact CB-OG 3.36Å; R239-S248 PolarHBondContact N-OG 3.02Å
249K72.8Confident74.8Confident195 Ų19594.9 Ų94.985%0.84851%0.505SS*.THydrogen-bonded Turntrans-81.4-22.7173.4-64.4-177.5179.4179.40113.3L247L247-K249 PolarHBondContact O-N 2.81Å
250S73Confident75Confident88 Ų8884 Ų8462%0.61546%0.464SS*.SBendtrans-117.227.1-175.5-520000111.3L247L247-S250 CarbonylContact O-C 3.42Å; L247-S250 PolarHBondContact O-N 2.97Å
251C78.4Confident74.8Confident23 Ų2392 Ų9216%0.15550%0.499CS..  trans-81.4129.8-178.7-168.50000110.9C238 N240 H246 L247 H253C238-C251 VanDerWaalsContact SG-SG 3.64Å; N240-C251 HydrophobicContact CB-CB 4.26Å; N240-C251 PolarHBondContact ND2-SG 2.82Å; N240-C251 VanDerWaalsContact ND2-SG 3.36Å; H246-C251 PolarHBondContact NE2-SG 3.45Å; H246-C251 VanDerWaalsContact NE2-SG 3.38Å; L247-C251 PolarHBondContact O-N 2.95Å; C251-H253 PolarHBondContact O-N 2.95Å
252P74.8Confident74.7Confident113 Ų11395.5 Ų95.573%0.73452%0.516SS*.SBendtrans-77.5-4.5176.332.3-36.4000113.5
253H68.1Low74.5Confident98 Ų9892.2 Ų92.245%0.45450%0.501SS..SBendtrans-94.5150.2172.9-72.115.1000110.6N240 C251N240-H253 PolarHBondContact ND2-O 2.86Å; N240-H253 VanDerWaalsContact ND2-O 3.13Å; C251-H253 PolarHBondContact O-N 2.95Å
254P69.8Low74.3Confident117 Ų11788.5 Ų88.576%0.7650%0.5SS*.  trans-54.8148175.324.3-34.9000111.1N240 K256N240-P254 PolarHBondContact ND2-O 3.4Å; N240-P254 PolarHBondContact OD1-O 3.28Å; P254-K256 PolarHBondContact O-N 3.48Å
255K70.9Confident74.1Confident176 Ų17687.4 Ų87.477%0.76550%0.495SS*.  trans-70.1111.9-178.6-64.6171.2-174166.60109.1V257K255-V257 PolarHBondContact O-N 2.98Å
256K67.9Low73.7Confident137 Ų13791.5 Ų91.560%0.59650%0.503SS*.  trans-53.8124.3165.2-70-177.8-176.8164.50108.1N240 P254 T258N240-K256 VanDerWaalsContact O-CD 3.23Å; N240-K256 WeakPolarHBondContact O-CD 3.36Å; N240-K256 WeakPolarHBondContact O-CE 3.41Å; N240-K256 PolarHBondContact O-NZ 3.34Å; N240-K256 PolarHBondContact OD1-N 3.42Å; P254-K256 PolarHBondContact O-N 3.48Å; K256-T258 PolarHBondContact O-N 2.97Å
257V66.4Low73.5Confident77 Ų7792.9 Ų92.947%0.46753%0.528SS..  trans-69.7103173.8178.50000107.1K255 M266 G267K255-V257 PolarHBondContact O-N 2.98Å; V257-M266 HydrophobicContact CB-CE 4.04Å; V257-M266 HydrophobicContact CG1-CB 4.17Å; V257-G267 VanDerWaalsContact CG1-N 3.3Å
258T69.8Low73.5Confident89 Ų8990.6 Ų90.655%0.54652%0.515SS..PPolyproline II helixtrans-59.9129.4177.1-460000108.9K256 F261K256-T258 PolarHBondContact O-N 2.97Å; T258-F261 HydrophobicContact CG2-CE2 4.29Å; T258-F261 HydrophobicContact CG2-CZ 3.97Å
259P77.3Confident73.6Confident66 Ų6695.2 Ų95.243%0.42953%0.531SS..PPolyproline II helixtrans-61.8153.4173.726.3-34.2000110.7F261 G264P259-F261 PolarHBondContact O-N 2.99Å; P259-G264 WeakPolarHBondContact CB-O 3.23Å
260C80.2Confident73.4Confident3 Ų387.2 Ų87.22%0.0250%0.501CS..PPolyproline II helixtrans-68.9118.3177.4179.30000111.2L262 C263 G264 S265 H268 A270C260-L262 PolarHBondContact O-N 2.85Å; C260-C263 PolarHBondContact O-N 2.94Å; C260-C263 VanDerWaalsContact O-N 3.11Å; C260-C263 VanDerWaalsContact SG-SG 3.67Å; C260-G264 WeakPolarHBondContact O-CA 3.41Å; C260-G264 PolarHBondContact O-N 3.09Å; C260-S265 WeakPolarHBondContact CB-O 3.39Å; C260-S265 PolarHBondContact N-O 2.75Å; C260-H268 VanDerWaalsContact CB-NE2 3.3Å; C260-H268 WeakPolarHBondContact CB-NE2 3.49Å; C260-H268 VanDerWaalsContact SG-CD2 3.56Å; C260-H268 PolarHBondContact SG-NE2 2.86Å; C260-A270 WeakPolarHBondContact SG-CB 3.28Å
261F74.6Confident73.3Confident179 Ų17989.4 Ų89.479%0.78551%0.505SS*.THydrogen-bonded Turntrans-58.2-8.3177.7-61.6-71.2000115.7T258 P259 A270T258-F261 HydrophobicContact CG2-CE2 4.29Å; T258-F261 HydrophobicContact CG2-CZ 3.97Å; P259-F261 PolarHBondContact O-N 2.99Å; F261-A270 HydrophobicContact CB-CB 4.38Å
262L73.6Confident72.9Confident99 Ų9992.9 Ų92.952%0.51853%0.526SS..THydrogen-bonded Turntrans-105.5-17.4178.4-67.1173.3000114.2C260 A270 C273 K276C260-L262 PolarHBondContact O-N 2.85Å; L262-A270 HydrophobicContact CB-CB 4.28Å; L262-A270 HydrophobicContact CD1-CB 3.72Å; L262-A270 HydrophobicContact CG-CB 3.73Å; L262-C273 HydrophobicContact CD1-CB 4.36Å; L262-K276 HydrophobicContact CD1-CG 4.02Å; L262-K276 VanDerWaalsContact CD1-NZ 3.28Å
263C74.2Confident72.9Confident42 Ų4287.9 Ų87.928%0.28449%0.493SS..THydrogen-bonded Turntrans-152.611.3-174.4670000115.2C260 S265 H268 C273 N275C260-C263 PolarHBondContact O-N 2.94Å; C260-C263 VanDerWaalsContact O-N 3.11Å; C260-C263 VanDerWaalsContact SG-SG 3.67Å; C263-S265 PolarHBondContact O-N 2.84Å; C263-S265 PolarHBondContact SG-OG 3.03Å; C263-H268 VanDerWaalsContact SG-CE1 3.5Å; C263-H268 PolarHBondContact SG-NE2 3.11Å; C263-C273 PolarHBondContact SG-SG 2.85Å; C263-N275 HydrophobicContact CB-CB 4.13Å
264G75.6Confident73Confident53 Ų5386.9 Ų86.955%0.54650%0.495SS..  trans70-27.1175.900000116.3P259 C260P259-G264 WeakPolarHBondContact CB-O 3.23Å; C260-G264 WeakPolarHBondContact O-CA 3.41Å; C260-G264 PolarHBondContact O-N 3.09Å
265S74.5Confident73.1Confident58 Ų5884.7 Ų84.741%0.40648%0.477SS..  trans-69.7147.9-174.352.10000113.6C260 C263 H268C260-S265 WeakPolarHBondContact CB-O 3.39Å; C260-S265 PolarHBondContact N-O 2.75Å; C263-S265 PolarHBondContact O-N 2.84Å; C263-S265 PolarHBondContact SG-OG 3.03Å; S265-H268 PolarHBondContact OG-CE1 3.11Å
266M71.6Confident73.1Confident136 Ų13678.1 Ų78.167%0.6745%0.449SS*.SBendtrans-86.7158.2-176.5-60.8176.273.800111.4V257V257-M266 HydrophobicContact CB-CE 4.04Å; V257-M266 HydrophobicContact CG1-CB 4.17Å
267G76.6Confident73.4Confident69 Ų6977 Ų7771%0.71145%0.445SS*.SBendtrans100-12171.400000115.7V257V257-G267 VanDerWaalsContact CG1-N 3.3Å
268H78Confident73.8Confident39 Ų3973.5 Ų73.518%0.18142%0.424CS..SBendtrans-136.2158.4175.771.8-101.6000112.1C260 C263 S265 C273C260-H268 VanDerWaalsContact CB-NE2 3.3Å; C260-H268 WeakPolarHBondContact CB-NE2 3.49Å; C260-H268 VanDerWaalsContact SG-CD2 3.56Å; C260-H268 PolarHBondContact SG-NE2 2.86Å; C263-H268 VanDerWaalsContact SG-CE1 3.5Å; C263-H268 PolarHBondContact SG-NE2 3.11Å; S265-H268 PolarHBondContact OG-CE1 3.11Å; H268-C273 WeakPolarHBondContact CD2-CA 3.4Å; H268-C273 WeakPolarHBondContact NE2-CA 3.4Å; H268-C273 WeakPolarHBondContact NE2-CB 3.36Å; H268-C273 PolarHBondContact NE2-SG 3.42Å
269Q76.8Confident73.9Confident142 Ų14275.6 Ų75.666%0.66443%0.432SS*.  trans-96.2166-177.5-67.6-172.714.500112.8I271 T272 C273Q269-I271 PolarHBondContact O-N 2.94Å; Q269-T272 PolarHBondContact N-OG1 2.91Å; Q269-T272 PolarHBondContact O-N 2.84Å; Q269-C273 PolarHBondContact O-N 2.62Å
270A70.3Confident73.4Confident27 Ų2773.1 Ų73.122%0.22342%0.415CS..THydrogen-bonded Turntrans-33.4-36.716500000115.8C260 F261 L262 K276C260-A270 WeakPolarHBondContact SG-CB 3.28Å; F261-A270 HydrophobicContact CB-CB 4.38Å; L262-A270 HydrophobicContact CB-CB 4.28Å; L262-A270 HydrophobicContact CD1-CB 3.72Å; L262-A270 HydrophobicContact CG-CB 3.73Å; A270-K276 WeakPolarHBondContact O-CE 3.39Å; A270-K276 PolarHBondContact O-NZ 2.86Å
271I69.9Low72.7Confident135 Ų13574.9 Ų74.969%0.69243%0.427SS*.THydrogen-bonded Turntrans-87.6-30.1-176.4-62170.9000112.8Q269 K276Q269-I271 PolarHBondContact O-N 2.94Å; I271-K276 VanDerWaalsContact C-CE 3.47Å; I271-K276 WeakPolarHBondContact O-CE 2.97Å
272T70.1Confident72.5Confident96 Ų9667.9 Ų67.959%0.58941%0.405SS*.SBendtrans-111.226.5-171.562.90000112.8Q269Q269-T272 PolarHBondContact N-OG1 2.91Å; Q269-T272 PolarHBondContact O-N 2.84Å
273C75Confident72.2Confident8 Ų868.3 Ų68.35%0.05440%0.404CS..  trans-76.9130.9179.4175.10000111.6L262 C263 H268 Q269 N275 K276L262-C273 HydrophobicContact CD1-CB 4.36Å; C263-C273 PolarHBondContact SG-SG 2.85Å; H268-C273 WeakPolarHBondContact CD2-CA 3.4Å; H268-C273 WeakPolarHBondContact NE2-CA 3.4Å; H268-C273 WeakPolarHBondContact NE2-CB 3.36Å; H268-C273 PolarHBondContact NE2-SG 3.42Å; Q269-C273 PolarHBondContact O-N 2.62Å; C273-N275 PolarHBondContact SG-N 3.38Å; C273-K276 HydrophobicContact CB-CG 4.03Å; C273-K276 VanDerWaalsContact O-CG 3.28Å; C273-K276 WeakPolarHBondContact O-CG 3.22Å
274P70.4Confident72Confident77 Ų7768.2 Ų68.250%0.540%0.403SS..THydrogen-bonded Turntrans-70.4-36.6176.228.3-32.6000111.5K276 G285P274-K276 PolarHBondContact O-N 2.86Å; P274-G285 WeakPolarHBondContact O-CA 3.43Å; P274-G285 PolarHBondContact O-N 3.28Å
275N70.8Confident71.7Confident70 Ų7068.6 Ų68.637%0.37441%0.407SS..THydrogen-bonded Turntrans-79.133.9-179.6-61.719.4000112C263 C273 H277C263-N275 HydrophobicContact CB-CB 4.13Å; C273-N275 PolarHBondContact SG-N 3.38Å; N275-H277 PolarHBondContact O-N 3.24Å
276K72.9Confident71.6Confident39 Ų3967.9 Ų67.917%0.1740%0.397CS..  trans-78.4107.9175.1-91.6-174.7174.5-57.30111.5L262 A270 I271 C273 P274 C278 P284 G285 L287L262-K276 HydrophobicContact CD1-CG 4.02Å; L262-K276 VanDerWaalsContact CD1-NZ 3.28Å; A270-K276 WeakPolarHBondContact O-CE 3.39Å; A270-K276 PolarHBondContact O-NZ 2.86Å; I271-K276 VanDerWaalsContact C-CE 3.47Å; I271-K276 WeakPolarHBondContact O-CE 2.97Å; C273-K276 HydrophobicContact CB-CG 4.03Å; C273-K276 VanDerWaalsContact O-CG 3.28Å; C273-K276 WeakPolarHBondContact O-CG 3.22Å; P274-K276 PolarHBondContact O-N 2.86Å; K276-C278 PolarHBondContact O-N 2.87Å; K276-P284 CarbonylContact O-C 3.56Å; K276-P284 VanDerWaalsContact O-CA 3.23Å; K276-P284 WeakPolarHBondContact O-CA 3.18Å; K276-G285 PolarHBondContact O-N 3.36Å; K276-G285 VanDerWaalsContact O-N 3.13Å; K276-L287 HydrophobicContact CD-CD2 4.03Å
277H73.1Confident71.5Confident113 Ų11365.6 Ų65.652%0.52339%0.387SS..  trans-57.9130.9163.7-60.9-77.1000110.9N275 G282 Q283N275-H277 PolarHBondContact O-N 3.24Å; H277-G282 WeakPolarHBondContact CB-O 3.5Å; H277-G282 PolarHBondContact ND1-O 3.3Å; H277-Q283 CarbonylContact C-O 3.35Å; H277-Q283 WeakPolarHBondContact CA-O 3.1Å
278C75.5Confident70.9Confident3 Ų364.9 Ų64.92%0.0237%0.372CS..  trans-80.7122.8176.7176.90000110.9K276 N280 C281 G282 Q283 H286K276-C278 PolarHBondContact O-N 2.87Å; C278-N280 PolarHBondContact O-N 3.14Å; C278-C281 PolarHBondContact O-N 2.87Å; C278-G282 WeakPolarHBondContact O-CA 3.16Å; C278-G282 PolarHBondContact O-N 2.83Å; C278-Q283 WeakPolarHBondContact CB-O 3.44Å; C278-Q283 PolarHBondContact N-O 2.96Å; C278-H286 WeakPolarHBondContact CB-O 3.47Å; C278-H286 VanDerWaalsContact SG-CD2 3.59Å; C278-H286 PolarHBondContact SG-NE2 2.81Å
279N70.9Confident70.2Confident133 Ų13374.2 Ų74.271%0.71141%0.405SS*.THydrogen-bonded Turntrans-66.315.3179.6-46.48.9000115.2S288 Y296N279-S288 WeakPolarHBondContact CB-OG 3.02Å; N279-S288 PolarHBondContact N-OG 2.97Å; N279-Y296 WeakPolarHBondContact O-CE1 3.48Å
280N67.9Low69.4Low14 Ų1475 Ų758%0.07541%0.407CS..THydrogen-bonded Turntrans-121.8-34178.8-168.759.4000112.4C278 C291 E293 S295 Y296C278-N280 PolarHBondContact O-N 3.14Å; N280-C291 HydrophobicContact CB-CB 4.28Å; N280-C291 PolarHBondContact ND2-SG 3.48Å; N280-E293 PolarHBondContact ND2-O 3.18Å; N280-S295 WeakPolarHBondContact OD1-CA 3.49Å; N280-Y296 WeakPolarHBondContact OD1-CD1 3.39Å; N280-Y296 PolarHBondContact OD1-N 3.19Å
281C65.8Low69.4Low41 Ų4174.9 Ų74.928%0.27740%0.404SS..THydrogen-bonded Turntrans-135.34-17767.90000114.7C278 Q283 H286 C291 E293C278-C281 PolarHBondContact O-N 2.87Å; C281-Q283 PolarHBondContact O-N 3.35Å; C281-H286 PolarHBondContact SG-CE1 2.83Å; C281-H286 PolarHBondContact SG-NE2 3.03Å; C281-H286 VanDerWaalsContact SG-NE2 3.42Å; C281-C291 VanDerWaalsContact SG-SG 3.61Å; C281-E293 WeakPolarHBondContact CB-OE2 3.24Å
282G68.7Low69.2Low31 Ų3173.9 Ų73.932%0.3241%0.409SS..  trans72.9-22.1177.800000116.5H277 C278H277-G282 WeakPolarHBondContact CB-O 3.5Å; H277-G282 PolarHBondContact ND1-O 3.3Å; C278-G282 WeakPolarHBondContact O-CA 3.16Å; C278-G282 PolarHBondContact O-N 2.83Å
283Q68.4Low68.8Low108 Ų10872.3 Ų72.351%0.50540%0.395SS..  trans-63.4143.3-177-68.6-172.8-14.900112.9H277 C278 C281H277-Q283 CarbonylContact C-O 3.35Å; H277-Q283 WeakPolarHBondContact CA-O 3.1Å; C278-Q283 WeakPolarHBondContact CB-O 3.44Å; C278-Q283 PolarHBondContact N-O 2.96Å; C281-Q283 PolarHBondContact O-N 3.35Å
284P68.9Low68Low40 Ų4082.3 Ų82.326%0.2643%0.431SS..SBendtrans-66.5172.8171.529.7-35.1000112.4K276 H286 M400K276-P284 CarbonylContact O-C 3.56Å; K276-P284 VanDerWaalsContact O-CA 3.23Å; K276-P284 WeakPolarHBondContact O-CA 3.18Å; P284-H286 PolarHBondContact O-N 3.04Å; P284-M400 HydrophobicContact CG-CE 3.76Å
285G69.6Low67.6Low61 Ų6181.9 Ų81.963%0.62943%0.43SS*.SBendtrans90.3-14.2169.300000116.7P274 K276P274-G285 WeakPolarHBondContact O-CA 3.43Å; P274-G285 PolarHBondContact O-N 3.28Å; K276-G285 PolarHBondContact O-N 3.36Å; K276-G285 VanDerWaalsContact O-N 3.13Å
286H73.5Confident67.2Low43 Ų4381.7 Ų81.720%0.19943%0.425CS..  trans-147.7158.6-176.772.1-80.8000115.5C278 C281 P284 C291C278-H286 WeakPolarHBondContact CB-O 3.47Å; C278-H286 VanDerWaalsContact SG-CD2 3.59Å; C278-H286 PolarHBondContact SG-NE2 2.81Å; C281-H286 PolarHBondContact SG-CE1 2.83Å; C281-H286 PolarHBondContact SG-NE2 3.03Å; C281-H286 VanDerWaalsContact SG-NE2 3.42Å; P284-H286 PolarHBondContact O-N 3.04Å; H286-C291 PolarHBondContact NE2-SG 3.46Å
287L68.3Low66.8Low88 Ų8884 Ų8446%0.46143%0.432SS..  trans-91.7151.7176.1-67.2161.9000110.2K276 R289 F290 C291K276-L287 HydrophobicContact CD-CD2 4.03Å; L287-R289 PolarHBondContact O-N 2.91Å; L287-F290 HydrophobicContact CB-CD2 4.31Å; L287-F290 CarbonylContact O-C 3.43Å; L287-F290 PolarHBondContact O-N 2.87Å; L287-C291 PolarHBondContact O-N 2.94Å
288S64.6Low66.4Low54 Ų5486 Ų8638%0.37844%0.442SS..THydrogen-bonded Turntrans-57.8-15179.9-400000115.5N279N279-S288 WeakPolarHBondContact CB-OG 3.02Å; N279-S288 PolarHBondContact N-OG 2.97Å
289R62.3Low66.2Low236 Ų23689.4 Ų89.489%0.89146%0.456SS*.THydrogen-bonded Turntrans-81.9-18.1173.2-67.1-175.3178.7179.1-0.4114.2L287L287-R289 PolarHBondContact O-N 2.91Å
290F60.2Low66.3Low159 Ų15987.5 Ų87.570%0.69744%0.443SS*.SBendtrans-115.316.3177.2-58.2-64.2000111.4L287L287-F290 HydrophobicContact CB-CD2 4.31Å; L287-F290 CarbonylContact O-C 3.43Å; L287-F290 PolarHBondContact O-N 2.87Å
291C70.2Confident66.9Low23 Ų2386.9 Ų86.916%0.15544%0.44CS..  trans-76.3125.8174.7-1690000109.5N280 C281 H286 L287 E293N280-C291 HydrophobicContact CB-CB 4.28Å; N280-C291 PolarHBondContact ND2-SG 3.48Å; C281-C291 VanDerWaalsContact SG-SG 3.61Å; H286-C291 PolarHBondContact NE2-SG 3.46Å; L287-C291 PolarHBondContact O-N 2.94Å; C291-E293 PolarHBondContact O-N 3.23Å
292S65.3Low67.3Low114 Ų11493.2 Ų93.280%0.79747%0.465SS*.SBendtrans-67.9-15.8176.5-47.50000113.1
293E62.1Low67.5Low63 Ų6394.2 Ų94.229%0.29446%0.459SS..SBendtrans-86137.8-175.7-163.5-175.4164.200112.5N280 C281 C291 S295 K299N280-E293 PolarHBondContact ND2-O 3.18Å; C281-E293 WeakPolarHBondContact CB-OE2 3.24Å; C291-E293 PolarHBondContact O-N 3.23Å; E293-S295 PolarHBondContact O-N 3.45Å; E293-K299 IonicContact OE1-NZ 3.84Å; E293-K299 PolarHBondContact OE1-NZ 3.06Å
294R59.7Low67.7Low218 Ų21890.2 Ų90.282%0.82344%0.443SS*.PPolyproline II helixtrans-58.3131.2174.3-78.7-177.5165.7101.3-4.8111.3Y296R294-Y296 PolarHBondContact O-N 3.24Å
295S61.6Low67.9Low68 Ų6891.9 Ų91.948%0.47646%0.455SS..PPolyproline II helixtrans-52.2126.7-176.4-47.40000113.5N280 E293 W297 H298N280-S295 WeakPolarHBondContact OD1-CA 3.49Å; E293-S295 PolarHBondContact O-N 3.45Å; S295-W297 PolarHBondContact O-N 2.79Å; S295-H298 PolarHBondContact O-N 3.26Å
296Y62.8Low67.9Low66 Ų6690.9 Ų90.926%0.25944%0.435SS..G310 helixtrans-51.5-32.8-173.958.1-94.6000114.6N279 N280 R294 H298 K299 G308N279-Y296 WeakPolarHBondContact O-CE1 3.48Å; N280-Y296 WeakPolarHBondContact OD1-CD1 3.39Å; N280-Y296 PolarHBondContact OD1-N 3.19Å; R294-Y296 PolarHBondContact O-N 3.24Å; Y296-H298 PolarHBondContact O-N 3.04Å; Y296-K299 PolarHBondContact O-N 3.38Å; Y296-G308 WeakPolarHBondContact O-CA 3.32Å
297W62.4Low67.9Low87 Ų8795 Ų9533%0.3345%0.449SS..G310 helixtrans-47.4-25.7176.9-59.9113.3000115.7S295 F364S295-W297 PolarHBondContact O-N 2.79Å; W297-F364 AromaticContact CH2-CE1 3.54Å; W297-F364 HydrophobicContact CH2-CE1 3.54Å; W297-F364 HydrophobicContact CH2-CZ 4.08Å; W297-F364 AromaticContact CZ2-CE1 3.96Å; W297-F364 HydrophobicContact CZ2-CE1 3.96Å; W297-F364 HydrophobicContact CZ2-CZ 4.06Å; W297-F364 AromaticContact CZ3-CE1 3.93Å; W297-F364 HydrophobicContact CZ3-CE1 3.93Å
298H64.8Low68.1Low157 Ų15791.4 Ų91.473%0.72743%0.434SS*.G310 helixtrans-105.7-11.4179.5-62139.1000114.9S295 Y296S295-H298 PolarHBondContact O-N 3.26Å; Y296-H298 PolarHBondContact O-N 3.04Å
299K72.7Confident68.6Low74 Ų7490.3 Ų90.332%0.32242%0.422SS..PPolyproline II helixtrans-69.9138.5173-70.2-172.1172.2-172.10109E293 Y296 R307 G308 F310E293-K299 IonicContact OE1-NZ 3.84Å; E293-K299 PolarHBondContact OE1-NZ 3.06Å; Y296-K299 PolarHBondContact O-N 3.38Å; K299-R307 CarbonylContact O-C 3.59Å; K299-R307 VanDerWaalsContact O-CA 3.24Å; K299-R307 WeakPolarHBondContact O-CA 3.38Å; K299-G308 PolarHBondContact O-N 3.19Å; K299-F310 HydrophobicContact CD-CD1 4.42Å; K299-F310 HydrophobicContact CD-CE1 3.76Å; K299-F310 HydrophobicContact CD-CZ 4.46Å
300Q73.1Confident69.1Low92 Ų9282.1 Ų82.143%0.4339%0.393SS..BIsolated β-bridgetrans-95.8129.5176.1179.7164.3-29.100109.1S305 R307Q300-S305 WeakPolarHBondContact CG-O 3.43Å; Q300-S305 PolarHBondContact NE2-OG 3.19Å; Q300-S305 VanDerWaalsContact NE2-OG 3.11Å; Q300-R307 HydrophobicContact CB-CG 4.18Å
301C79.1Confident69.6Low2 Ų276.3 Ų76.31%0.01437%0.372CS..PPolyproline II helixtrans-73.1126.5177.7178.20000110R303 S305 M306 H309C301-R303 PolarHBondContact O-N 3.17Å; C301-S305 WeakPolarHBondContact O-CA 3.15Å; C301-S305 PolarHBondContact O-N 3.39Å; C301-M306 WeakPolarHBondContact CB-O 3.43Å; C301-M306 PolarHBondContact N-O 3.36Å; C301-H309 VanDerWaalsContact CB-NE2 3.34Å; C301-H309 WeakPolarHBondContact CB-NE2 3.37Å; C301-H309 PolarHBondContact SG-NE2 2.88Å
302H75.9Confident69.8Low174 Ų17477.5 Ų77.581%0.80638%0.377SS*.THydrogen-bonded Turntrans-68.2-15.1-178.2-64.1-107000113.3C311H302-C311 PolarHBondContact N-SG 2.91Å
303R71.1Confident70.3Confident51 Ų5177.1 Ų77.119%0.19237%0.366CS..THydrogen-bonded Turntrans-88.7-39.4-177.2-67.1174.1162.5-130.8-11.1114.2C301 C311 S375 D378C301-R303 PolarHBondContact O-N 3.17Å; R303-C311 WeakPolarHBondContact CD-O 3.5Å; R303-S375 PolarHBondContact O-OG 3.39Å; R303-D378 IonicContact CZ-OD1 2.68Å; R303-D378 IonicContact CZ-OD2 3.31Å; R303-D378 IonicContact NE-OD1 2.65Å; R303-D378 IonicContact NH1-OD1 2.91Å; R303-D378 PolarHBondContact NH1-OD1 3.5Å; R303-D378 IonicContact NH1-OD2 3.01Å; R303-D378 PolarHBondContact NH1-OD2 3.34Å; R303-D378 VanDerWaalsContact NH2-CG 3.28Å; R303-D378 IonicContact NH2-OD1 3.2Å; R303-D378 PolarHBondContact NH2-OD1 3.26Å; R303-D378 VanDerWaalsContact NH2-OD1 3.1Å; R303-D378 IonicContact NH2-OD2 2.7Å; R303-D378 PolarHBondContact NH2-OD2 2.98Å
304C72.6Confident71.2Confident25 Ų2574.1 Ų74.117%0.16935%0.352CS..THydrogen-bonded Turntrans-124.8-1.1-176.167.50000114.2M306 H309 C314 S375C304-M306 PolarHBondContact O-N 2.96Å; C304-H309 VanDerWaalsContact SG-CE1 3.57Å; C304-H309 PolarHBondContact SG-NE2 3.48Å; C304-C314 VanDerWaalsContact SG-SG 3.69Å; C304-S375 WeakPolarHBondContact CA-OG 3.07Å
305S73.2Confident72Confident74 Ų7466.3 Ų66.352%0.51733%0.329SS..  trans55.65.7-175.7-77.10000116.9Q300 C301Q300-S305 WeakPolarHBondContact CG-O 3.43Å; Q300-S305 PolarHBondContact NE2-OG 3.19Å; Q300-S305 VanDerWaalsContact NE2-OG 3.11Å; C301-S305 WeakPolarHBondContact O-CA 3.15Å; C301-S305 PolarHBondContact O-N 3.39Å
306M70.3Confident72.5Confident41 Ų4163.8 Ų63.820%0.20231%0.31CS..  trans-69155.8165.5-61.1179.363.600110.2C301 C304 F368 P369C301-M306 WeakPolarHBondContact CB-O 3.43Å; C301-M306 PolarHBondContact N-O 3.36Å; C304-M306 PolarHBondContact O-N 2.96Å; M306-F368 HydrophobicContact CE-CB 3.65Å; M306-P369 WeakPolarHBondContact CE-O 3.32Å
307R74.6Confident73.1Confident128 Ų12860.8 Ų60.848%0.48330%0.299SS..BIsolated β-bridgetrans-96.9164.3175.6-66.5177.7-176.1173.90.5111.3K299 Q300 F368K299-R307 CarbonylContact O-C 3.59Å; K299-R307 VanDerWaalsContact O-CA 3.24Å; K299-R307 WeakPolarHBondContact O-CA 3.38Å; Q300-R307 HydrophobicContact CB-CG 4.18Å; R307-F368 HydrophobicContact CB-CD2 4.44Å; R307-F368 HydrophobicContact CB-CE1 4.11Å; R307-F368 HydrophobicContact CB-CE2 3.84Å; R307-F368 HydrophobicContact CB-CZ 3.66Å; R307-F368 WeakPolarHBondContact O-CD2 3.41Å; R307-F368 VanDerWaalsContact O-CE2 3.25Å; R307-F368 WeakPolarHBondContact O-CE2 3.35Å
308G72.3Confident73.7Confident14 Ų1465.9 Ų65.914%0.14432%0.318CS..SBendtrans86.412.316900000116.9Y296 K299Y296-G308 WeakPolarHBondContact O-CA 3.32Å; K299-G308 PolarHBondContact O-N 3.19Å
309H73.9Confident74Confident31 Ų3162 Ų6214%0.14430%0.297CS..SBendtrans-147.7157.4167.159.4-99.6000110.8C301 C304 C314C301-H309 VanDerWaalsContact CB-NE2 3.34Å; C301-H309 WeakPolarHBondContact CB-NE2 3.37Å; C301-H309 PolarHBondContact SG-NE2 2.88Å; C304-H309 VanDerWaalsContact SG-CE1 3.57Å; C304-H309 PolarHBondContact SG-NE2 3.48Å; H309-C314 PolarHBondContact NE2-SG 2.86Å
310F73Confident73.8Confident64 Ų6460.1 Ų60.128%0.28129%0.289SS..  trans-82.3163.3175.3-63.3-82000111.4K299 D312 D313 C314K299-F310 HydrophobicContact CD-CD1 4.42Å; K299-F310 HydrophobicContact CD-CE1 3.76Å; K299-F310 HydrophobicContact CD-CZ 4.46Å; F310-D312 PolarHBondContact O-N 2.83Å; F310-D313 CarbonylContact O-C 3.59Å; F310-D313 PolarHBondContact O-N 3.32Å; F310-C314 PolarHBondContact O-N 2.95Å
311C71.9Confident73.6Confident36 Ų3660.7 Ų60.724%0.24329%0.288CS..SBendtrans-57.4-34.5177.3-62.20000113H302 R303 C314 I317H302-C311 PolarHBondContact N-SG 2.91Å; R303-C311 WeakPolarHBondContact CD-O 3.5Å; C311-C314 WeakPolarHBondContact O-CB 3.29Å; C311-I317 WeakPolarHBondContact O-CD1 3.34Å
312D74Confident72.6Confident49 Ų4967 Ų6726%0.26232%0.317SS..THydrogen-bonded Turntrans-73.5-32.7-179.3-59.4-10.8000112.6F310 C314 I317 K393F310-D312 PolarHBondContact O-N 2.83Å; D312-C314 VanDerWaalsContact C-N 3.34Å; D312-I317 WeakPolarHBondContact O-CD1 3.47Å; D312-K393 IonicContact OD2-NZ 2.62Å; D312-K393 PolarHBondContact OD2-NZ 3.33Å
313D74.6Confident71.5Confident105 Ų10563.8 Ų63.856%0.56131%0.305SS*.THydrogen-bonded Turntrans-96.815.9-179.6-55.2-59.8000112.3F310F310-D313 CarbonylContact O-C 3.59Å; F310-D313 PolarHBondContact O-N 3.32Å
314C80.9Confident70.7Confident0 Ų065.8 Ų65.80%032%0.323CS..  trans-65.7125.8-175.1-1730000110.7C304 H309 F310 C311 D312 E316 I317C304-C314 VanDerWaalsContact SG-SG 3.69Å; H309-C314 PolarHBondContact NE2-SG 2.86Å; F310-C314 PolarHBondContact O-N 2.95Å; C311-C314 WeakPolarHBondContact O-CB 3.29Å; D312-C314 VanDerWaalsContact C-N 3.34Å; C314-E316 PolarHBondContact O-N 3.23Å; C314-E316 WeakPolarHBondContact SG-CB 3.36Å; C314-I317 HydrophobicContact CB-CD1 4.11Å; C314-I317 HydrophobicContact CB-CG1 4.34Å; C314-I317 WeakPolarHBondContact O-CB 3.21Å; C314-I317 PolarHBondContact O-N 3.23Å
315P77.3Confident69.7Low55 Ų5571.6 Ų71.636%0.35736%0.357SS..Hα-helixtrans-62-16.4177.826.7-34.6000112.8I317 W318 R319P315-I317 VanDerWaalsContact C-N 3.31Å; P315-W318 PolarHBondContact O-N 3.4Å; P315-R319 WeakPolarHBondContact O-CG 3.21Å; P315-R319 PolarHBondContact O-N 3.01Å
316E71.8Confident68.8Low15 Ų1577.2 Ų77.27%0.0737%0.373CS..Hα-helixtrans-65.5-31.6173.7-154.669.9-81.300113.2C314 W318 R319 Q320 I374 S375C314-E316 PolarHBondContact O-N 3.23Å; C314-E316 WeakPolarHBondContact SG-CB 3.36Å; E316-W318 PolarHBondContact O-N 3.34Å; E316-R319 PolarHBondContact O-N 2.92Å; E316-R319 WeakPolarHBondContact OE1-CB 3.34Å; E316-R319 WeakPolarHBondContact OE1-CD 3.41Å; E316-Q320 PolarHBondContact O-N 3.43Å; E316-I374 HydrophobicContact CG-CG2 4.11Å; E316-I374 WeakPolarHBondContact OE1-CA 3.22Å; E316-I374 WeakPolarHBondContact OE1-CG1 3.42Å; E316-I374 WeakPolarHBondContact OE2-CA 3.27Å; E316-S375 PolarHBondContact OE2-N 3.31Å; E316-S375 PolarHBondContact OE2-OG 2.99Å
317I75.9Confident67.7Low3 Ų386 Ų862%0.01541%0.41CS..Hα-helixtrans-57.6-42.5175.2-69.9162.5000110.3C311 D312 C314 P315 Y321C311-I317 WeakPolarHBondContact O-CD1 3.34Å; D312-I317 WeakPolarHBondContact O-CD1 3.47Å; C314-I317 HydrophobicContact CB-CD1 4.11Å; C314-I317 HydrophobicContact CB-CG1 4.34Å; C314-I317 WeakPolarHBondContact O-CB 3.21Å; C314-I317 PolarHBondContact O-N 3.23Å; P315-I317 VanDerWaalsContact C-N 3.31Å; I317-Y321 HydrophobicContact CG2-CE2 4.13Å; I317-Y321 WeakPolarHBondContact O-CD2 3.28Å; I317-Y321 VanDerWaalsContact O-CE2 3.26Å; I317-Y321 WeakPolarHBondContact O-CE2 3.47Å
318W74.2Confident67Low193 Ų19382.7 Ų82.773%0.73142%0.415SS*.Hα-helixtrans-76-31.8-179.4-59103.8000112.3P315 E316P315-W318 PolarHBondContact O-N 3.4Å; E316-W318 PolarHBondContact O-N 3.34Å
319R71.7Confident66.5Low76 Ų7687.7 Ų87.729%0.28745%0.445SS..Hα-helixtrans-69.7-34.4174.8-69170.1-178.2-75.8-9.6112.6P315 E316 Y321 H322 I374P315-R319 WeakPolarHBondContact O-CG 3.21Å; P315-R319 PolarHBondContact O-N 3.01Å; E316-R319 PolarHBondContact O-N 2.92Å; E316-R319 WeakPolarHBondContact OE1-CB 3.34Å; E316-R319 WeakPolarHBondContact OE1-CD 3.41Å; R319-Y321 PolarHBondContact O-N 2.63Å; R319-Y321 VanDerWaalsContact O-N 3.16Å; R319-H322 WeakPolarHBondContact O-CB 3.49Å; R319-H322 PolarHBondContact O-CD2 3.02Å; R319-H322 PolarHBondContact O-N 3Å; R319-H322 VanDerWaalsContact O-N 3.17Å; R319-I374 HydrophobicContact CB-CD1 4.34Å; R319-I374 HydrophobicContact CB-CG1 3.9Å
320Q68.5Low65.5Low34 Ų3491.3 Ų91.316%0.15947%0.471CS..Hα-helixtrans-56.1-32.1177.2178.5167.1-100113.1E316 H322 Y377 D378E316-Q320 PolarHBondContact O-N 3.43Å; Q320-H322 PolarHBondContact O-N 3.5Å; Q320-Y377 HydrophobicContact CG-CD1 3.97Å; Q320-D378 VanDerWaalsContact CD-N 3.3Å; Q320-D378 VanDerWaalsContact NE2-N 3.11Å; Q320-D378 PolarHBondContact NE2-O 3.23Å; Q320-D378 VanDerWaalsContact OE1-CB 3.25Å
321Y68.9Low64.7Low105 Ų10593.4 Ų93.441%0.41249%0.489SS..THydrogen-bonded Turntrans-78.75.4-178.1-65.2-67.1000115.1I317 R319 I323 T324 R386I317-Y321 HydrophobicContact CG2-CE2 4.13Å; I317-Y321 WeakPolarHBondContact O-CD2 3.28Å; I317-Y321 VanDerWaalsContact O-CE2 3.26Å; I317-Y321 WeakPolarHBondContact O-CE2 3.47Å; R319-Y321 PolarHBondContact O-N 2.63Å; R319-Y321 VanDerWaalsContact O-N 3.16Å; Y321-I323 PolarHBondContact O-N 3.32Å; Y321-T324 PolarHBondContact O-N 2.67Å; Y321-R386 PolarHBondContact OH-NH2 3.01Å
322H59Low63.9Low133 Ų133100.9 Ų100.962%0.61652%0.518SS*.THydrogen-bonded Turntrans-58.3-16.1-171.5-82.9-40.5000116.5R319 Q320R319-H322 WeakPolarHBondContact O-CB 3.49Å; R319-H322 PolarHBondContact O-CD2 3.02Å; R319-H322 PolarHBondContact O-N 3Å; R319-H322 VanDerWaalsContact O-N 3.17Å; Q320-H322 PolarHBondContact O-N 3.5Å
323I51.8Low62.9Low107 Ų107107 Ų10755%0.54955%0.545SS..THydrogen-bonded Turntrans-141.539.7177-32.6178000113.5Y321Y321-I323 PolarHBondContact O-N 3.32Å
324T55.4Low61.6Low94 Ų94107.9 Ų107.958%0.57756%0.556SS**  trans-134.469.3-179600000115.5Y321Y321-T324 PolarHBondContact O-N 2.67Å
325T50.3Low60.4Low146 Ų146111.7 Ų111.790%0.89660%0.596SS**SBendtrans-114.7-0.6159.348.50000113.7
326K53.8Low58.9Low192 Ų192112 Ų11284%0.83561%0.609SS**SBendtrans-142.1146.3166.6-62.7-171.5-179.2-175.70109.4G328K326-G328 PolarHBondContact O-N 2.96Å
327K48.9Very low58.2Low226 Ų226119.7 Ų119.798%0.98365%0.65SS**  trans-76116.6168.6-70.2-175.7-179.41790108.7
328G59.3Low57.1Low58 Ų58122.6 Ų122.660%0.59868%0.681SS**SBendtrans-175.1168.6176.700000111.7K326K326-G328 PolarHBondContact O-N 2.96Å
329P60.5Low56Low119 Ų119121.8 Ų121.877%0.77369%0.685SS**SBendtrans-58.1145.5175-22.934.3000111.4V331P329-V331 PolarHBondContact O-N 3.44Å; P329-V331 VanDerWaalsContact O-N 3.12Å
330P54Low55.5Low107 Ų107127.6 Ų127.670%0.69572%0.715SS**  trans-61.6118.8-177.424.6-33.7000110.6K332P330-K332 PolarHBondContact O-N 2.99Å
331V56.6Low55.1Low109 Ų109131.3 Ų131.366%0.66175%0.745SS**  trans-65.9103.6177.5179.40000108.4P329 Q333P329-V331 PolarHBondContact O-N 3.44Å; P329-V331 VanDerWaalsContact O-N 3.12Å; V331-Q333 PolarHBondContact O-N 2.86Å
332K54.8Low55Low192 Ų192128.8 Ų128.884%0.83575%0.746SS**PPolyproline II helixtrans-56.8127.1162.7-66.4-180179.51790107P330P330-K332 PolarHBondContact O-N 2.99Å
333Q52.7Low55.7Low179 Ų179124.1 Ų124.184%0.83673%0.73SS**PPolyproline II helixtrans-57.2143.6177.8-70-168.7-18.100109.8V331 G335V331-Q333 PolarHBondContact O-N 2.86Å; Q333-G335 PolarHBondContact O-N 3.29Å
334P47.4Very low57.1Low122 Ų122126.4 Ų126.479%0.79273%0.733SS**PPolyproline II helixtrans-54.3125.7173.4-24.434.2000109.8G336P334-G336 PolarHBondContact O-N 3.18Å
335G55.3Low58.4Low81 Ų81122 Ų12284%0.83571%0.706SS**  trans-68.786.2171.400000109.3Q333Q333-G335 PolarHBondContact O-N 3.29Å
336G47Very low59.7Low61 Ų61121.6 Ų121.663%0.62969%0.689SS**  trans-108.2108.9175.900000109.9P334 G338P334-G336 PolarHBondContact O-N 3.18Å; G336-G338 PolarHBondContact O-N 3.43Å
337D55.5Low60.7Low176 Ų176114.2 Ų114.294%0.94166%0.659SS**  trans-74.333.9177.6-56-57.3000112.7H339D337-H339 PolarHBondContact O-N 2.95Å
338G53.4Low62.2Low64 Ų64104.3 Ų104.366%0.6662%0.618SS**  trans-91.693.2-17700000111.8G336G336-G338 PolarHBondContact O-N 3.43Å
339H51.7Low63.3Low177 Ų177106.3 Ų106.382%0.81962%0.623SS**  trans42.492.7166.5-86.9-110.9000115.7D337 S341D337-H339 PolarHBondContact O-N 2.95Å; H339-S341 VanDerWaalsContact C-N 3.35Å; H339-S341 PolarHBondContact O-N 3.4Å
340Q60.3Low64.3Low198 Ų198107 Ų10793%0.92561%0.613SS**  trans-59.998159.5-70.5-176.9-1.900109.6A342Q340-A342 PolarHBondContact O-N 2.93Å
341S61.2Low65.7Low112 Ų112109.2 Ų109.278%0.78361%0.612SS**  trans-49.6109.3170.9-65.50000109.1H339 A343H339-S341 VanDerWaalsContact C-N 3.35Å; H339-S341 PolarHBondContact O-N 3.4Å; S341-A343 PolarHBondContact O-N 2.73Å
342A66.9Low66.9Low52 Ų52107.3 Ų107.343%0.4362%0.615SS.*  trans-52.4109.6-162.500000111.2Q340 Y344Q340-A342 PolarHBondContact O-N 2.93Å; A342-Y344 HydrophobicContact CB-CE2 4.46Å; A342-Y344 WeakPolarHBondContact O-CD2 3.42Å; A342-Y344 VanDerWaalsContact O-CE2 3.22Å; A342-Y344 WeakPolarHBondContact O-CE2 3.41Å; A342-Y344 PolarHBondContact O-N 2.89Å
343A73.5Confident68.3Low34 Ų34100.1 Ų100.128%0.28158%0.584SS.*  trans-59.9108.5-166.100000111.6S341 K351 G352 H353 L354S341-A343 PolarHBondContact O-N 2.73Å; A343-K351 CarbonylContact O-C 3.59Å; A343-K351 WeakPolarHBondContact O-CA 3.36Å; A343-G352 PolarHBondContact O-N 3.42Å; A343-H353 PolarHBondContact O-N 3.26Å; A343-L354 HydrophobicContact CB-CD2 3.84Å; A343-L354 HydrophobicContact CB-CG 4.01Å
344Y81.1Confident69.4Low156 Ų15695.4 Ų95.461%0.61256%0.564SS**BIsolated β-bridgetrans-89.3127.8176-68.3-79.8000110A342 Y346 K351A342-Y344 HydrophobicContact CB-CE2 4.46Å; A342-Y344 WeakPolarHBondContact O-CD2 3.42Å; A342-Y344 VanDerWaalsContact O-CE2 3.22Å; A342-Y344 WeakPolarHBondContact O-CE2 3.41Å; A342-Y344 PolarHBondContact O-N 2.89Å; Y344-Y346 PolarHBondContact O-N 3.5Å; Y344-K351 HydrophobicContact CD1-CB 3.99Å; Y344-K351 HydrophobicContact CE1-CB 3.71Å
345C82.1Confident70.7Confident2 Ų289.7 Ų89.71%0.01453%0.527CS..  trans-70.1116.6179.3175.70000112N347 C348 S349 K350 H353 C358C345-N347 PolarHBondContact O-N 3.32Å; C345-N347 PolarHBondContact SG-N 2.96Å; C345-N347 VanDerWaalsContact SG-N 3.43Å; C345-C348 PolarHBondContact O-N 2.82Å; C345-S349 WeakPolarHBondContact O-CA 3.36Å; C345-S349 PolarHBondContact O-N 2.93Å; C345-K350 PolarHBondContact N-O 2.84Å; C345-H353 WeakPolarHBondContact CA-O 3.43Å; C345-H353 WeakPolarHBondContact CB-NE2 3.31Å; C345-H353 WeakPolarHBondContact CB-O 3.41Å; C345-H353 PolarHBondContact N-O 2.95Å; C345-H353 PolarHBondContact SG-NE2 3.16Å; C345-C358 WeakPolarHBondContact SG-CB 3.47Å; C345-C358 PolarHBondContact SG-SG 3.12Å
346Y77Confident71.4Confident137 Ų13788.9 Ų88.954%0.53750%0.5SS..THydrogen-bonded Turntrans-57.9-17.7177.661.4-116.7000115.1Y344 G355 R362 S370Y344-Y346 PolarHBondContact O-N 3.5Å; Y346-G355 VanDerWaalsContact CE1-CA 3.47Å; Y346-R362 PolarHBondContact OH-NH2 3.28Å; Y346-S370 PolarHBondContact OH-OG 2.95Å
347N75.9Confident72.5Confident36 Ų3690.6 Ų90.619%0.19349%0.491CS..THydrogen-bonded Turntrans-99.4-12.6179.6-172.760.1000113.5C345 C358 K360 Q361 R362C345-N347 PolarHBondContact O-N 3.32Å; C345-N347 PolarHBondContact SG-N 2.96Å; C345-N347 VanDerWaalsContact SG-N 3.43Å; N347-C358 HydrophobicContact CB-CB 4.36Å; N347-K360 PolarHBondContact ND2-O 3.43Å; N347-K360 VanDerWaalsContact ND2-O 3.13Å; N347-Q361 PolarHBondContact ND2-O 3.33Å; N347-R362 WeakPolarHBondContact OD1-CA 3.15Å
348C80.7Confident73.6Confident19 Ų1982.9 Ų82.913%0.12845%0.451CS..THydrogen-bonded Turntrans-151.84.5-17582.40000117.6C345 K350 H353 C358 K360C345-C348 PolarHBondContact O-N 2.82Å; C348-K350 PolarHBondContact O-N 2.75Å; C348-H353 PolarHBondContact SG-CE1 3.17Å; C348-C358 VanDerWaalsContact SG-SG 3.66Å; C348-K360 HydrophobicContact CB-CB 4.39Å; C348-K360 HydrophobicContact CB-CD 3.5Å; C348-K360 VanDerWaalsContact CB-CD 3.5Å; C348-K360 HydrophobicContact CB-CG 3.98Å
349S81.1Confident74.6Confident100 Ų10086.7 Ų86.770%0.69946%0.461SS*.  trans56.97.5176.6-47.20000116.4C345C345-S349 WeakPolarHBondContact O-CA 3.36Å; C345-S349 PolarHBondContact O-N 2.93Å
350K82.8Confident75.7Confident132 Ų13283.4 Ų83.457%0.57445%0.445SS*.  trans-74.7136.4170.4-69.8-170.9170.9-168.90110.1C345 C348C345-K350 PolarHBondContact N-O 2.84Å; C348-K350 PolarHBondContact O-N 2.75Å
351K82.3Confident76Confident154 Ų15482.9 Ų82.967%0.6744%0.442SS*.BIsolated β-bridgetrans-68.4154.1166.860.5-177.81791800111.8A343 Y344A343-K351 CarbonylContact O-C 3.59Å; A343-K351 WeakPolarHBondContact O-CA 3.36Å; Y344-K351 HydrophobicContact CD1-CB 3.99Å; Y344-K351 HydrophobicContact CE1-CB 3.71Å
352G82.2Confident76.4Confident70 Ų7079.3 Ų79.372%0.72241%0.411SS*.SBendtrans91.39.916900000116.1A343A343-G352 PolarHBondContact O-N 3.42Å
353H83.2Confident76Confident41 Ų4186 Ų8619%0.1944%0.436CS..SBendtrans-153.3146.6166.270.8-79.4000110.8A343 C345 C348 E357 C358A343-H353 PolarHBondContact O-N 3.26Å; C345-H353 WeakPolarHBondContact CA-O 3.43Å; C345-H353 WeakPolarHBondContact CB-NE2 3.31Å; C345-H353 WeakPolarHBondContact CB-O 3.41Å; C345-H353 PolarHBondContact N-O 2.95Å; C345-H353 PolarHBondContact SG-NE2 3.16Å; C348-H353 PolarHBondContact SG-CE1 3.17Å; H353-E357 WeakPolarHBondContact CA-OE2 3.34Å; H353-E357 HydrophobicContact CB-CB 4.01Å; H353-C358 PolarHBondContact NE2-SG 2.91Å; H353-C358 VanDerWaalsContact NE2-SG 3.42Å
354L77.8Confident75.2Confident80 Ų8089.8 Ų89.842%0.41945%0.446SS..  trans-82.1157.7174.7-72.9168000110.1A343 Y356 E357A343-L354 HydrophobicContact CB-CD2 3.84Å; A343-L354 HydrophobicContact CB-CG 4.01Å; L354-Y356 HydrophobicContact CB-CD1 3.82Å; L354-Y356 HydrophobicContact CB-CE1 3.32Å; L354-Y356 HydrophobicContact CD1-CE1 3.71Å; L354-Y356 HydrophobicContact CG-CE1 4.14Å; L354-Y356 PolarHBondContact O-N 2.93Å; L354-E357 PolarHBondContact N-OE2 3.18Å; L354-E357 WeakPolarHBondContact O-CB 3.45Å; L354-E357 PolarHBondContact O-N 2.81Å
355G73.2Confident73.9Confident1 Ų188 Ų881%0.0146%0.457CS..THydrogen-bonded Turntrans-63.8-15.1-168.600000115.7Y346 C358 R362Y346-G355 VanDerWaalsContact CE1-CA 3.47Å; G355-C358 VanDerWaalsContact O-CB 3.26Å; G355-C358 WeakPolarHBondContact O-CB 3.28Å; G355-C358 PolarHBondContact O-N 2.74Å; G355-R362 PolarHBondContact O-NH2 3.32Å
356Y70Confident72.7Confident65 Ų6588.4 Ų88.426%0.25546%0.462SS..THydrogen-bonded Turntrans-77.8-28.7173.165.3-101.4000113.2L354 C358 S370 P372L354-Y356 HydrophobicContact CB-CD1 3.82Å; L354-Y356 HydrophobicContact CB-CE1 3.32Å; L354-Y356 HydrophobicContact CD1-CE1 3.71Å; L354-Y356 HydrophobicContact CG-CE1 4.14Å; L354-Y356 PolarHBondContact O-N 2.93Å; Y356-C358 PolarHBondContact O-N 3.1Å; Y356-S370 WeakPolarHBondContact CB-O 3.08Å; Y356-P372 HydrophobicContact CD1-CB 4.09Å; Y356-P372 HydrophobicContact CD1-CG 4.08Å; Y356-P372 HydrophobicContact CD2-CG 4Å; Y356-P372 HydrophobicContact CE1-CB 3.86Å; Y356-P372 HydrophobicContact CE1-CG 3.81Å; Y356-P372 HydrophobicContact CE2-CG 3.76Å; Y356-P372 HydrophobicContact CG-CG 4.21Å
357E70.6Confident71.7Confident97 Ų9786 Ų8645%0.45346%0.461SS..SBendtrans-76.6-5.3170.3-76.6140-170.200112.5H353 L354 T359H353-E357 WeakPolarHBondContact CA-OE2 3.34Å; H353-E357 HydrophobicContact CB-CB 4.01Å; L354-E357 PolarHBondContact N-OE2 3.18Å; L354-E357 WeakPolarHBondContact O-CB 3.45Å; L354-E357 PolarHBondContact O-N 2.81Å; E357-T359 PolarHBondContact O-N 2.81Å; E357-T359 VanDerWaalsContact O-N 3.13Å
358C78.5Confident70.8Confident13 Ų1387.4 Ų87.49%0.08847%0.465CS..  trans-72.8109.8-171.6-164.30000112.5C345 N347 C348 H353 G355 Y356 K360C345-C358 WeakPolarHBondContact SG-CB 3.47Å; C345-C358 PolarHBondContact SG-SG 3.12Å; N347-C358 HydrophobicContact CB-CB 4.36Å; C348-C358 VanDerWaalsContact SG-SG 3.66Å; H353-C358 PolarHBondContact NE2-SG 2.91Å; H353-C358 VanDerWaalsContact NE2-SG 3.42Å; G355-C358 VanDerWaalsContact O-CB 3.26Å; G355-C358 WeakPolarHBondContact O-CB 3.28Å; G355-C358 PolarHBondContact O-N 2.74Å; Y356-C358 PolarHBondContact O-N 3.1Å; C358-K360 VanDerWaalsContact C-N 3.26Å; C358-K360 PolarHBondContact O-N 2.7Å
359T73.6Confident69.8Low144 Ų14489.9 Ų89.988%0.88348%0.481SS*.  trans-75.2-7.9174.355.20000114.3E357E357-T359 PolarHBondContact O-N 2.81Å; E357-T359 VanDerWaalsContact O-N 3.13Å
360K74.9Confident68.7Low108 Ų10886.9 Ų86.947%0.4746%0.46SS..SBendtrans-69.8143.4173.7-66.4-150.2-166.4175.20110.7N347 C348 C358 R362N347-K360 PolarHBondContact ND2-O 3.43Å; N347-K360 VanDerWaalsContact ND2-O 3.13Å; C348-K360 HydrophobicContact CB-CB 4.39Å; C348-K360 HydrophobicContact CB-CD 3.5Å; C348-K360 VanDerWaalsContact CB-CD 3.5Å; C348-K360 HydrophobicContact CB-CG 3.98Å; C358-K360 VanDerWaalsContact C-N 3.26Å; C358-K360 PolarHBondContact O-N 2.7Å; K360-R362 PolarHBondContact O-N 3.09Å
361Q68Low67.7Low187 Ų18787.2 Ų87.287%0.87446%0.459SS*.PPolyproline II helixtrans-50.7136168.1-174.3174.5400110.5N347N347-Q361 PolarHBondContact ND2-O 3.33Å
362R69.7Low66.7Low37 Ų3782 Ų8214%0.1444%0.441CS..PPolyproline II helixtrans-87.1143.4179.2-66.6177.9164.7-134.9-13.4110.5Y346 N347 G355 K360 F364 V367 F368Y346-R362 PolarHBondContact OH-NH2 3.28Å; N347-R362 WeakPolarHBondContact OD1-CA 3.15Å; G355-R362 PolarHBondContact O-NH2 3.32Å; K360-R362 PolarHBondContact O-N 3.09Å; R362-F364 PolarHBondContact O-N 2.91Å; R362-F364 VanDerWaalsContact O-N 3.1Å; R362-V367 WeakPolarHBondContact CD-O 3.25Å; R362-V367 PolarHBondContact NH1-O 3.31Å; R362-F368 PolarHBondContact NH1-O 3.06Å
363M57.5Low65.7Low193 Ų19385.1 Ų85.195%0.95144%0.435SS*.SBendtrans-60-22.1-178-70.1178.263.800113.9
364F57.5Low64.9Low113 Ų11385 Ų8550%0.49644%0.435SS..SBendtrans-129.6122.4175.8-167.6-90000110.3W297 R362 G366 V367W297-F364 AromaticContact CH2-CE1 3.54Å; W297-F364 HydrophobicContact CH2-CE1 3.54Å; W297-F364 HydrophobicContact CH2-CZ 4.08Å; W297-F364 AromaticContact CZ2-CE1 3.96Å; W297-F364 HydrophobicContact CZ2-CE1 3.96Å; W297-F364 HydrophobicContact CZ2-CZ 4.06Å; W297-F364 AromaticContact CZ3-CE1 3.93Å; W297-F364 HydrophobicContact CZ3-CE1 3.93Å; R362-F364 PolarHBondContact O-N 2.91Å; R362-F364 VanDerWaalsContact O-N 3.1Å; F364-G366 VanDerWaalsContact CD1-N 3.29Å; F364-G366 PolarHBondContact O-N 2.95Å; F364-V367 HydrophobicContact CB-CG2 4.34Å; F364-V367 HydrophobicContact CD1-CG2 3.99Å; F364-V367 PolarHBondContact O-N 3.41Å
365S53.6Low64.3Low119 Ų11984.3 Ų84.383%0.83244%0.437SS*.THydrogen-bonded Turntrans-68.4-13.4-172.550.80000115.1
366G56.4Low63.9Low11 Ų1188.5 Ų88.511%0.11346%0.456CS..THydrogen-bonded Turntrans-92.3-7.6175.900000116F364 F368F364-G366 VanDerWaalsContact CD1-N 3.29Å; F364-G366 PolarHBondContact O-N 2.95Å; G366-F368 VanDerWaalsContact O-CD2 3.24Å; G366-F368 WeakPolarHBondContact O-CD2 3.48Å; G366-F368 WeakPolarHBondContact O-CE2 3.47Å; G366-F368 PolarHBondContact O-N 3.13Å
367V56.2Low64Low85 Ų8592.4 Ų92.452%0.51547%0.471SS..  trans-9482.1178.1-173.70000109.7R362 F364R362-V367 WeakPolarHBondContact CD-O 3.25Å; R362-V367 PolarHBondContact NH1-O 3.31Å; F364-V367 HydrophobicContact CB-CG2 4.34Å; F364-V367 HydrophobicContact CD1-CG2 3.99Å; F364-V367 PolarHBondContact O-N 3.41Å
368F56.4Low64.3Low67 Ų6788.4 Ų88.429%0.29445%0.453SS..  trans-59156178.7-62.1-84.7000112.6M306 R307 R362 G366 S370M306-F368 HydrophobicContact CE-CB 3.65Å; R307-F368 HydrophobicContact CB-CD2 4.44Å; R307-F368 HydrophobicContact CB-CE1 4.11Å; R307-F368 HydrophobicContact CB-CE2 3.84Å; R307-F368 HydrophobicContact CB-CZ 3.66Å; R307-F368 WeakPolarHBondContact O-CD2 3.41Å; R307-F368 VanDerWaalsContact O-CE2 3.25Å; R307-F368 WeakPolarHBondContact O-CE2 3.35Å; R362-F368 PolarHBondContact NH1-O 3.06Å; G366-F368 VanDerWaalsContact O-CD2 3.24Å; G366-F368 WeakPolarHBondContact O-CD2 3.48Å; G366-F368 WeakPolarHBondContact O-CE2 3.47Å; G366-F368 PolarHBondContact O-N 3.13Å; F368-S370 PolarHBondContact O-N 2.9Å; F368-S370 VanDerWaalsContact O-N 3.09Å
369P59.5Low64.4Low71 Ų7191.3 Ų91.346%0.46147%0.47SS..  trans-53.9116.2176.5-2736.3000112M306 Y371M306-P369 WeakPolarHBondContact CE-O 3.32Å; P369-Y371 PolarHBondContact O-N 3.37Å
370S59.2Low64.4Low37 Ų3789.4 Ų89.426%0.25946%0.459SS..  trans-71.691.7179.856.80000109.5Y346 Y356 F368Y346-S370 PolarHBondContact OH-OG 2.95Å; Y356-S370 WeakPolarHBondContact CB-O 3.08Å; F368-S370 PolarHBondContact O-N 2.9Å; F368-S370 VanDerWaalsContact O-N 3.09Å
371Y60.8Low64.5Low139 Ų13992 Ų9255%0.54547%0.47SS..  trans-57.5131.9179.8-158.4-122.1000109.6P369 F373P369-Y371 PolarHBondContact O-N 3.37Å; Y371-F373 HydrophobicContact CD1-CB 4.14Å; Y371-F373 HydrophobicContact CD1-CD2 4.44Å; Y371-F373 VanDerWaalsContact CD1-O 3.29Å; Y371-F373 WeakPolarHBondContact CD1-O 3.09Å; Y371-F373 HydrophobicContact CE1-CB 3.81Å; Y371-F373 AromaticContact CE1-CD2 3.85Å; Y371-F373 HydrophobicContact CE1-CD2 3.85Å; Y371-F373 HydrophobicContact CE1-CG 4.34Å; Y371-F373 HydrophobicContact CE2-CD2 4.2Å; Y371-F373 AromaticContact CZ-CD2 3.7Å
372P61.8Low65Low45 Ų4584.3 Ų84.329%0.29243%0.434SS..SBendtrans-84.9-16.3-17234.4-37.5000112.9Y356Y356-P372 HydrophobicContact CD1-CB 4.09Å; Y356-P372 HydrophobicContact CD1-CG 4.08Å; Y356-P372 HydrophobicContact CD2-CG 4Å; Y356-P372 HydrophobicContact CE1-CB 3.86Å; Y356-P372 HydrophobicContact CE1-CG 3.81Å; Y356-P372 HydrophobicContact CE2-CG 3.76Å; Y356-P372 HydrophobicContact CG-CG 4.21Å
373F61.6Low65.4Low134 Ų13484.8 Ų84.859%0.58844%0.439SS*.SBendtrans-99.2140.5-178.9-51.4-75000110.7Y371 S375Y371-F373 HydrophobicContact CD1-CB 4.14Å; Y371-F373 HydrophobicContact CD1-CD2 4.44Å; Y371-F373 VanDerWaalsContact CD1-O 3.29Å; Y371-F373 WeakPolarHBondContact CD1-O 3.09Å; Y371-F373 HydrophobicContact CE1-CB 3.81Å; Y371-F373 AromaticContact CE1-CD2 3.85Å; Y371-F373 HydrophobicContact CE1-CD2 3.85Å; Y371-F373 HydrophobicContact CE1-CG 4.34Å; Y371-F373 HydrophobicContact CE2-CD2 4.2Å; Y371-F373 AromaticContact CZ-CD2 3.7Å; F373-S375 PolarHBondContact O-N 2.87Å
374I67.3Low66.3Low40 Ų4080 Ų8021%0.20542%0.418CS..  trans-70.3117.5178.2-66.7155.4000109.6E316 R319 H376 Y377E316-I374 HydrophobicContact CG-CG2 4.11Å; E316-I374 WeakPolarHBondContact OE1-CA 3.22Å; E316-I374 WeakPolarHBondContact OE1-CG1 3.42Å; E316-I374 WeakPolarHBondContact OE2-CA 3.27Å; R319-I374 HydrophobicContact CB-CD1 4.34Å; R319-I374 HydrophobicContact CB-CG1 3.9Å; I374-H376 VanDerWaalsContact CG2-O 3.26Å; I374-H376 WeakPolarHBondContact CG2-O 3.2Å; I374-Y377 HydrophobicContact CB-CE2 3.99Å; I374-Y377 HydrophobicContact CD1-CE1 3.88Å; I374-Y377 HydrophobicContact CD1-CE2 4.47Å; I374-Y377 WeakPolarHBondContact CD1-OH 3.44Å; I374-Y377 HydrophobicContact CG2-CD1 4.35Å; I374-Y377 HydrophobicContact CG2-CD2 3.74Å; I374-Y377 HydrophobicContact CG2-CE1 4.26Å; I374-Y377 HydrophobicContact CG2-CE2 3.64Å; I374-Y377 HydrophobicContact CG2-CG 4.1Å
375S63.4Low67.4Low64 Ų6480.9 Ų80.945%0.44842%0.418SS..SBendtrans-75.3-28.9-179.164.70000113.7R303 C304 E316 F373R303-S375 PolarHBondContact O-OG 3.39Å; C304-S375 WeakPolarHBondContact CA-OG 3.07Å; E316-S375 PolarHBondContact OE2-N 3.31Å; E316-S375 PolarHBondContact OE2-OG 2.99Å; F373-S375 PolarHBondContact O-N 2.87Å
376H66.4Low68.7Low90 Ų9076.6 Ų76.642%0.41738%0.383SS..  trans-153.3136.7180-173.3-88.5000110I374I374-H376 VanDerWaalsContact CG2-O 3.26Å; I374-H376 WeakPolarHBondContact CG2-O 3.2Å
377Y72.3Confident69.8Low146 Ų14680.6 Ų80.657%0.57340%0.402SS*.PPolyproline II helixtrans-98.6118.5169.5-71.4-100.7000108.3Q320 I374 T379Q320-Y377 HydrophobicContact CG-CD1 3.97Å; I374-Y377 HydrophobicContact CB-CE2 3.99Å; I374-Y377 HydrophobicContact CD1-CE1 3.88Å; I374-Y377 HydrophobicContact CD1-CE2 4.47Å; I374-Y377 WeakPolarHBondContact CD1-OH 3.44Å; I374-Y377 HydrophobicContact CG2-CD1 4.35Å; I374-Y377 HydrophobicContact CG2-CD2 3.74Å; I374-Y377 HydrophobicContact CG2-CE1 4.26Å; I374-Y377 HydrophobicContact CG2-CE2 3.64Å; I374-Y377 HydrophobicContact CG2-CG 4.1Å; Y377-T379 PolarHBondContact O-N 3Å
378D76.1Confident71Confident14 Ų1482 Ų828%0.07540%0.402CS..PPolyproline II helixtrans-53.3131.7174.3-77.84000111.2R303 Q320 D382 I383 R386R303-D378 IonicContact CZ-OD1 2.68Å; R303-D378 IonicContact CZ-OD2 3.31Å; R303-D378 IonicContact NE-OD1 2.65Å; R303-D378 IonicContact NH1-OD1 2.91Å; R303-D378 PolarHBondContact NH1-OD1 3.5Å; R303-D378 IonicContact NH1-OD2 3.01Å; R303-D378 PolarHBondContact NH1-OD2 3.34Å; R303-D378 VanDerWaalsContact NH2-CG 3.28Å; R303-D378 IonicContact NH2-OD1 3.2Å; R303-D378 PolarHBondContact NH2-OD1 3.26Å; R303-D378 VanDerWaalsContact NH2-OD1 3.1Å; R303-D378 IonicContact NH2-OD2 2.7Å; R303-D378 PolarHBondContact NH2-OD2 2.98Å; Q320-D378 VanDerWaalsContact CD-N 3.3Å; Q320-D378 VanDerWaalsContact NE2-N 3.11Å; Q320-D378 PolarHBondContact NE2-O 3.23Å; Q320-D378 VanDerWaalsContact OE1-CB 3.25Å; D378-D382 HydrophobicContact CB-CB 3.92Å; D378-I383 HydrophobicContact CB-CG1 3.88Å; D378-R386 IonicContact OD2-NE 3.8Å
379T79.9Confident72.2Confident73 Ų7380.5 Ų80.545%0.44840%0.396SS..PPolyproline II helixtrans-76.7169.8167.672.30000110.8Y377 K381 D382 I383Y377-T379 PolarHBondContact O-N 3Å; T379-K381 PolarHBondContact O-N 2.86Å; T379-K381 PolarHBondContact OG1-N 2.86Å; T379-D382 WeakPolarHBondContact CB-OD2 3.39Å; T379-D382 WeakPolarHBondContact CG2-OD2 3.26Å; T379-D382 PolarHBondContact N-OD2 3.4Å; T379-D382 PolarHBondContact O-N 3.43Å; T379-D382 VanDerWaalsContact OG1-CG 3.27Å; T379-D382 PolarHBondContact OG1-N 3.2Å; T379-D382 PolarHBondContact OG1-OD2 3.3Å; T379-I383 WeakPolarHBondContact O-CG1 3.26Å; T379-I383 PolarHBondContact O-N 3.24Å
380V75.1Confident73.1Confident105 Ų10582.3 Ų82.364%0.63640%0.399SS*.Hα-helixtrans-57.2-36.4174.6-176.10000111.7D382 I383 N384V380-D382 VanDerWaalsContact C-N 3.33Å; V380-D382 PolarHBondContact O-N 3.37Å; V380-I383 PolarHBondContact O-N 2.63Å; V380-N384 WeakPolarHBondContact O-CB 3.06Å; V380-N384 VanDerWaalsContact O-CG 3.23Å; V380-N384 PolarHBondContact O-N 3.46Å; V380-N384 PolarHBondContact O-OD1 2.96Å
381K76.5Confident74.3Confident163 Ų16387 Ų8771%0.70942%0.415SS*.Hα-helixtrans-63.9-37.4174.7-69.6-165.6175.4-166.80111.8T379 R385T379-K381 PolarHBondContact O-N 2.86Å; T379-K381 PolarHBondContact OG1-N 2.86Å; K381-R385 VanDerWaalsContact O-CB 3.29Å; K381-R385 WeakPolarHBondContact O-CB 3.41Å; K381-R385 PolarHBondContact O-N 3.26Å; K381-R385 PolarHBondContact O-NH1 3.46Å
382D77.6Confident75.3Confident24 Ų2483.3 Ų83.313%0.12840%0.404CS..Hα-helixtrans-74.8-37.1179.8-52-49.7000112.5D378 T379 V380 R385 R386D378-D382 HydrophobicContact CB-CB 3.92Å; T379-D382 WeakPolarHBondContact CB-OD2 3.39Å; T379-D382 WeakPolarHBondContact CG2-OD2 3.26Å; T379-D382 PolarHBondContact N-OD2 3.4Å; T379-D382 PolarHBondContact O-N 3.43Å; T379-D382 VanDerWaalsContact OG1-CG 3.27Å; T379-D382 PolarHBondContact OG1-N 3.2Å; T379-D382 PolarHBondContact OG1-OD2 3.3Å; V380-D382 VanDerWaalsContact C-N 3.33Å; V380-D382 PolarHBondContact O-N 3.37Å; D382-R385 IonicContact OD1-CZ 3.96Å; D382-R385 VanDerWaalsContact OD1-CZ 3.31Å; D382-R385 IonicContact OD1-NH1 3.22Å; D382-R385 PolarHBondContact OD1-NH1 3.22Å; D382-R385 IonicContact OD1-NH2 2.63Å; D382-R385 PolarHBondContact OD1-NH2 2.88Å; D382-R386 WeakPolarHBondContact O-CB 3.45Å; D382-R386 PolarHBondContact O-N 3Å
383I77.4Confident76Confident47 Ų4785.9 Ų85.924%0.24141%0.411CS..Hα-helixtrans-61.6-49.9171.8-65.2168.6000109.6D378 T379 V380 R385 R386 L387D378-I383 HydrophobicContact CB-CG1 3.88Å; T379-I383 WeakPolarHBondContact O-CG1 3.26Å; T379-I383 PolarHBondContact O-N 3.24Å; V380-I383 PolarHBondContact O-N 2.63Å; I383-R385 PolarHBondContact O-N 3.4Å; I383-R386 PolarHBondContact O-N 2.89Å; I383-L387 HydrophobicContact CG2-CD1 3.99Å; I383-L387 HydrophobicContact CG2-CG 4.43Å; I383-L387 WeakPolarHBondContact O-CG 3.39Å; I383-L387 PolarHBondContact O-N 2.99Å
384N78.3Confident76.8Confident93 Ų9381.8 Ų81.850%0.49740%0.402SS..Hα-helixtrans-62.4-42.7179.2-70.7-1.4000111.7V380 R386 L387 H388V380-N384 WeakPolarHBondContact O-CB 3.06Å; V380-N384 VanDerWaalsContact O-CG 3.23Å; V380-N384 PolarHBondContact O-N 3.46Å; V380-N384 PolarHBondContact O-OD1 2.96Å; N384-R386 VanDerWaalsContact C-N 3.34Å; N384-R386 PolarHBondContact O-N 3.47Å; N384-L387 PolarHBondContact O-N 3.26Å; N384-H388 WeakPolarHBondContact O-CB 3.48Å; N384-H388 PolarHBondContact O-N 2.95Å
385R80.4Confident77.3Confident131 Ų13183.8 Ų83.849%0.49441%0.413SS..Hα-helixtrans-63-36.9175.8-169.7164.269.3-960.5112.5K381 D382 I383 K389K381-R385 VanDerWaalsContact O-CB 3.29Å; K381-R385 WeakPolarHBondContact O-CB 3.41Å; K381-R385 PolarHBondContact O-N 3.26Å; K381-R385 PolarHBondContact O-NH1 3.46Å; D382-R385 IonicContact OD1-CZ 3.96Å; D382-R385 VanDerWaalsContact OD1-CZ 3.31Å; D382-R385 IonicContact OD1-NH1 3.22Å; D382-R385 PolarHBondContact OD1-NH1 3.22Å; D382-R385 IonicContact OD1-NH2 2.63Å; D382-R385 PolarHBondContact OD1-NH2 2.88Å; I383-R385 PolarHBondContact O-N 3.4Å; R385-K389 WeakPolarHBondContact O-CG 3.39Å; R385-K389 PolarHBondContact O-N 2.96Å; R385-K389 VanDerWaalsContact O-N 3.09Å
386R79.3Confident77.9Confident29 Ų2984.3 Ų84.311%0.10941%0.413CS..Hα-helixtrans-66.9-46.9172.3178.5166.857.395.8-4.5111.8Y321 D378 D382 I383 N384 H388 K389 M390Y321-R386 PolarHBondContact OH-NH2 3.01Å; D378-R386 IonicContact OD2-NE 3.8Å; D382-R386 WeakPolarHBondContact O-CB 3.45Å; D382-R386 PolarHBondContact O-N 3Å; I383-R386 PolarHBondContact O-N 2.89Å; N384-R386 VanDerWaalsContact C-N 3.34Å; N384-R386 PolarHBondContact O-N 3.47Å; R386-H388 VanDerWaalsContact C-N 3.3Å; R386-H388 PolarHBondContact O-N 2.96Å; R386-K389 PolarHBondContact O-N 2.84Å; R386-M390 HydrophobicContact CG-SD 4.47Å; R386-M390 WeakPolarHBondContact O-CG 3.48Å; R386-M390 PolarHBondContact O-N 2.98Å
387L81.1Confident78Confident96 Ų9685.6 Ų85.650%0.50342%0.417SS..Hα-helixtrans-60.4-39.6176.4-69.7172.7000111.8I383 N384 M390 K391I383-L387 HydrophobicContact CG2-CD1 3.99Å; I383-L387 HydrophobicContact CG2-CG 4.43Å; I383-L387 WeakPolarHBondContact O-CG 3.39Å; I383-L387 PolarHBondContact O-N 2.99Å; N384-L387 PolarHBondContact O-N 3.26Å; L387-M390 PolarHBondContact O-N 3.12Å; L387-K391 PolarHBondContact O-N 3.45Å
388H81.6Confident78.1Confident114 Ų11484.4 Ų84.453%0.52842%0.42SS..Hα-helixtrans-61.6-49.9174.7-169.7-133000111.8N384 R386 M390 K391 I392N384-H388 WeakPolarHBondContact O-CB 3.48Å; N384-H388 PolarHBondContact O-N 2.95Å; R386-H388 VanDerWaalsContact C-N 3.3Å; R386-H388 PolarHBondContact O-N 2.96Å; H388-M390 VanDerWaalsContact C-N 3.28Å; H388-M390 PolarHBondContact O-N 3.45Å; H388-K391 PolarHBondContact O-N 3.43Å; H388-K391 VanDerWaalsContact O-N 3.13Å; H388-I392 WeakPolarHBondContact O-CG1 3.39Å; H388-I392 PolarHBondContact O-N 2.96Å
389K80.1Confident77.6Confident36 Ų3687.7 Ų87.716%0.15744%0.438CS..Hα-helixtrans-62.2-33175.9-71.9-170.4174.9-162.20112.8L15 R385 R386 K393L15-K389 HydrophobicContact CD2-CD 4.15Å; L15-K389 VanDerWaalsContact O-CE 3.25Å; L15-K389 WeakPolarHBondContact O-CE 3.31Å; L15-K389 PolarHBondContact O-NZ 2.97Å; R385-K389 WeakPolarHBondContact O-CG 3.39Å; R385-K389 PolarHBondContact O-N 2.96Å; R385-K389 VanDerWaalsContact O-N 3.09Å; R386-K389 PolarHBondContact O-N 2.84Å; K389-K393 WeakPolarHBondContact O-CB 3.33Å; K389-K393 VanDerWaalsContact O-CG 3.31Å; K389-K393 WeakPolarHBondContact O-CG 3.37Å; K389-K393 PolarHBondContact O-N 3.27Å
390M78.8Confident76.6Confident108 Ų10887.8 Ų87.853%0.53243%0.434SS..Hα-helixtrans-70.4-39.5172.4-69.2-169.978.700112.8R386 L387 H388 K393 A394R386-M390 HydrophobicContact CG-SD 4.47Å; R386-M390 WeakPolarHBondContact O-CG 3.48Å; R386-M390 PolarHBondContact O-N 2.98Å; L387-M390 PolarHBondContact O-N 3.12Å; H388-M390 VanDerWaalsContact C-N 3.28Å; H388-M390 PolarHBondContact O-N 3.45Å; M390-K393 PolarHBondContact O-N 2.97Å; M390-A394 WeakPolarHBondContact O-CB 3.46Å; M390-A394 PolarHBondContact O-N 3.44Å
391K84.4Confident75.8Confident136 Ų13684.1 Ų84.159%0.59142%0.417SS*.Hα-helixtrans-62-45.4174.5-171.1-178.7179.9-174.10111.4L387 H388 A394 N395L387-K391 PolarHBondContact O-N 3.45Å; H388-K391 PolarHBondContact O-N 3.43Å; H388-K391 VanDerWaalsContact O-N 3.13Å; K391-A394 PolarHBondContact O-N 3.2Å; K391-N395 PolarHBondContact O-N 3.33Å; K391-N395 PolarHBondContact O-OD1 3.22Å
392I81Confident74.8Confident62 Ų6285 Ų8532%0.31842%0.416SS..Hα-helixtrans-60.1-49.7175.1-66.8167.8000110.7H388 A394 N395 V396H388-I392 WeakPolarHBondContact O-CG1 3.39Å; H388-I392 PolarHBondContact O-N 2.96Å; I392-A394 VanDerWaalsContact C-N 3.32Å; I392-A394 PolarHBondContact O-N 3.06Å; I392-N395 PolarHBondContact O-N 3.11Å; I392-V396 WeakPolarHBondContact O-CG2 3.4Å; I392-V396 PolarHBondContact O-N 2.91Å
393K76.6Confident73.2Confident99 Ų9989.1 Ų89.143%0.4344%0.438SS..Hα-helixtrans-57.9-42.8176.9-76.8175.8175.6-178.70112.1D312 K389 M390 V396 F397D312-K393 IonicContact OD2-NZ 2.62Å; D312-K393 PolarHBondContact OD2-NZ 3.33Å; K389-K393 WeakPolarHBondContact O-CB 3.33Å; K389-K393 VanDerWaalsContact O-CG 3.31Å; K389-K393 WeakPolarHBondContact O-CG 3.37Å; K389-K393 PolarHBondContact O-N 3.27Å; M390-K393 PolarHBondContact O-N 2.97Å; K393-V396 PolarHBondContact O-N 3.18Å; K393-F397 WeakPolarHBondContact O-CD2 3.43Å; K393-F397 PolarHBondContact O-N 3.41Å
394A78.6Confident71.7Confident48 Ų4890.1 Ų90.140%0.39745%0.45SS..Hα-helixtrans-62.4-45.7177.600000112.1M390 K391 I392 V396 F397 L398M390-A394 WeakPolarHBondContact O-CB 3.46Å; M390-A394 PolarHBondContact O-N 3.44Å; K391-A394 PolarHBondContact O-N 3.2Å; I392-A394 VanDerWaalsContact C-N 3.32Å; I392-A394 PolarHBondContact O-N 3.06Å; A394-V396 PolarHBondContact O-N 3.38Å; A394-F397 PolarHBondContact O-N 3.06Å; A394-L398 WeakPolarHBondContact O-CG 3.29Å; A394-L398 PolarHBondContact O-N 2.68Å
395N78.4Confident70Confident81 Ų8194.9 Ų94.943%0.43346%0.462SS..Hα-helixtrans-59.3-48.1175.9-703.9000111.3K391 I392 F397 L398 D399K391-N395 PolarHBondContact O-N 3.33Å; K391-N395 PolarHBondContact O-OD1 3.22Å; I392-N395 PolarHBondContact O-N 3.11Å; N395-F397 VanDerWaalsContact C-N 3.31Å; N395-F397 PolarHBondContact O-N 2.83Å; N395-L398 WeakPolarHBondContact O-CB 3.41Å; N395-L398 PolarHBondContact O-N 3.25Å; N395-D399 PolarHBondContact O-N 3.42Å
396V75.4Confident68.1Low75 Ų7595.5 Ų95.546%0.45548%0.475SS..Hα-helixtrans-58.1-41.1176.5172.60000111.7I392 K393 A394 L398 D399 M400I392-V396 WeakPolarHBondContact O-CG2 3.4Å; I392-V396 PolarHBondContact O-N 2.91Å; K393-V396 PolarHBondContact O-N 3.18Å; A394-V396 PolarHBondContact O-N 3.38Å; V396-L398 PolarHBondContact O-N 2.86Å; V396-D399 PolarHBondContact O-N 2.98Å; V396-M400 HydrophobicContact CG1-CG 4.43Å; V396-M400 HydrophobicContact CG1-SD 4.09Å; V396-M400 WeakPolarHBondContact O-CB 3.3Å; V396-M400 VanDerWaalsContact O-CG 3.22Å; V396-M400 WeakPolarHBondContact O-CG 3.37Å; V396-M400 PolarHBondContact O-N 3.49Å
397F70Confident66.1Low117 Ų11799.6 Ų99.651%0.51351%0.507SS..Hα-helixtrans-64.4-37.3174.3-78.2-59.6000113K393 A394 N395 G401K393-F397 WeakPolarHBondContact O-CD2 3.43Å; K393-F397 PolarHBondContact O-N 3.41Å; A394-F397 PolarHBondContact O-N 3.06Å; N395-F397 VanDerWaalsContact C-N 3.31Å; N395-F397 PolarHBondContact O-N 2.83Å; F397-G401 PolarHBondContact O-N 3.38Å
398L72.8Confident64Low121 Ų121100.4 Ų100.463%0.63452%0.521SS*.Hα-helixtrans-68.1-39.5176.6-69170.3000112.1A394 N395 V396 G401 R402A394-L398 WeakPolarHBondContact O-CG 3.29Å; A394-L398 PolarHBondContact O-N 2.68Å; N395-L398 WeakPolarHBondContact O-CB 3.41Å; N395-L398 PolarHBondContact O-N 3.25Å; V396-L398 PolarHBondContact O-N 2.86Å; L398-G401 CarbonylContact O-C 3.55Å; L398-G401 WeakPolarHBondContact O-CA 3.39Å; L398-G401 PolarHBondContact O-N 2.94Å; L398-R402 PolarHBondContact O-N 3.12Å
399D66Low62Low83 Ų8398.2 Ų98.244%0.44453%0.53SS..Hα-helixtrans-73-37178.2-68-35.2000112.4N395 V396 G401 R402 N403N395-D399 PolarHBondContact O-N 3.42Å; V396-D399 PolarHBondContact O-N 2.98Å; D399-G401 PolarHBondContact O-N 3.34Å; D399-R402 PolarHBondContact O-N 3.21Å; D399-N403 WeakPolarHBondContact O-CB 3.39Å; D399-N403 PolarHBondContact O-N 3.26Å
400M59.9Low59.8Low76 Ų76102 Ų10237%0.37456%0.561SS.*Hα-helixtrans-62-34.4166.9-69.4-178.9105.100111.7P284 V396 S404P284-M400 HydrophobicContact CG-CE 3.76Å; V396-M400 HydrophobicContact CG1-CG 4.43Å; V396-M400 HydrophobicContact CG1-SD 4.09Å; V396-M400 WeakPolarHBondContact O-CB 3.3Å; V396-M400 VanDerWaalsContact O-CG 3.22Å; V396-M400 WeakPolarHBondContact O-CG 3.37Å; V396-M400 PolarHBondContact O-N 3.49Å; M400-S404 PolarHBondContact O-N 3.39Å; M400-S404 PolarHBondContact O-OG 3.19Å
401G57.4Low57.8Low27 Ų27103 Ų10328%0.27858%0.575SS.*Hα-helixtrans-59.1-57.7168.600000111.9F397 L398 D399 N403 S404 Y405F397-G401 PolarHBondContact O-N 3.38Å; L398-G401 CarbonylContact O-C 3.55Å; L398-G401 WeakPolarHBondContact O-CA 3.39Å; L398-G401 PolarHBondContact O-N 2.94Å; D399-G401 PolarHBondContact O-N 3.34Å; G401-N403 PolarHBondContact O-N 3.4Å; G401-S404 VanDerWaalsContact O-CB 3.27Å; G401-S404 WeakPolarHBondContact O-CB 3.44Å; G401-S404 PolarHBondContact O-N 3.49Å; G401-Y405 WeakPolarHBondContact O-CD2 3.41Å; G401-Y405 VanDerWaalsContact O-CE2 3.32Å; G401-Y405 WeakPolarHBondContact O-CE2 3.46Å
402R55.4Low55.3Low181 Ų181100.9 Ų100.968%0.68358%0.583SS**Hα-helixtrans-55.4-47.8178.9-88.2179.8166.3155.8-4.2113L398 D399 S404 Y405L398-R402 PolarHBondContact O-N 3.12Å; D399-R402 PolarHBondContact O-N 3.21Å; R402-S404 PolarHBondContact O-N 3.4Å; R402-Y405 PolarHBondContact O-N 2.96Å
403N44.7Very low53.2Low111 Ų111103.7 Ų103.759%0.59461%0.605SS**Hα-helixtrans-64.1-21.5179.3-78.6-27.9000113.4D399 G401 Y405D399-N403 WeakPolarHBondContact O-CB 3.39Å; D399-N403 PolarHBondContact O-N 3.26Å; G401-N403 PolarHBondContact O-N 3.4Å; N403-Y405 PolarHBondContact O-N 2.85Å
404S44.3Very low51.1Low69 Ų69104.6 Ų104.648%0.48362%0.624SS.*Hα-helixtrans-69.8-18.5173.7-59.80000113.8M400 G401 R402M400-S404 PolarHBondContact O-N 3.39Å; M400-S404 PolarHBondContact O-OG 3.19Å; G401-S404 VanDerWaalsContact O-CB 3.27Å; G401-S404 WeakPolarHBondContact O-CB 3.44Å; G401-S404 PolarHBondContact O-N 3.49Å; R402-S404 PolarHBondContact O-N 3.4Å
405Y44Very low49.2Very low193 Ų193108.8 Ų108.876%0.75765%0.645SS**Hα-helixtrans-99.9-13.5-179.4-60.5-73.9000114.2G401 R402 N403G401-Y405 WeakPolarHBondContact O-CD2 3.41Å; G401-Y405 VanDerWaalsContact O-CE2 3.32Å; G401-Y405 WeakPolarHBondContact O-CE2 3.46Å; R402-Y405 PolarHBondContact O-N 2.96Å; N403-Y405 PolarHBondContact O-N 2.85Å
406L39.9Very low47.3Very low144 Ų144111 Ų11175%0.75466%0.664SS**Hα-helixtrans-100.3-3.7-177-67.6173.7000114.1
407S37.6Very low45.6Very low114 Ų114110.3 Ų110.380%0.79767%0.672SS**  trans-103.638.8-177.5-140.80000113.9
408S36.2Very low44Very low113 Ų113111.2 Ų111.279%0.7969%0.689SS**  trans-110.955.6174.663.50000111.8
409G39.5Very low42.3Very low69 Ų69114.8 Ų114.871%0.71170%0.703SS**  trans-161.263.3-171.600000115.2
410S34.6Very low40.8Very low116 Ų116122.3 Ų122.381%0.81173%0.725SS**  trans-155139.8166.1-79.60000111.5
411P37.7Very low39.9Very low128 Ų128128.6 Ų128.683%0.83175%0.75SS**PPolyproline II helixtrans-70.7149.4-175.5-17.932.2000113.2
412A31.7Very low38.9Very low92 Ų92137 Ų13776%0.7678%0.779SS**PPolyproline II helixtrans-72.8135.2174.600000111.5
413P36.3Very low37.8Very low120 Ų120137 Ų13778%0.77979%0.787SS**PPolyproline II helixtrans-69.8138171.529-33.7000111.1
414S33.7Very low37.3Very low118 Ų118141.3 Ų141.383%0.82580%0.8SS**PPolyproline II helixtrans-60.4134.6-172.1-51.80000114.1P416S414-P416 WeakPolarHBondContact O-CD 3.48Å
415T38.5Very low36.7Very low137 Ų137145.4 Ų145.484%0.8482%0.815SS**PPolyproline II helixtrans-72.7126.4176.933.60000113.1
416P38.4Very low36.1Very low127 Ų127142 Ų14283%0.82581%0.81SS**PPolyproline II helixtrans-69.3139.6165.5-18.533.3000111.5S414S414-P416 WeakPolarHBondContact O-CD 3.48Å
417G38Very low35.8Very low61 Ų61143.6 Ų143.663%0.62981%0.813SS**PPolyproline II helixtrans-72.1166.9-177.100000114.8Q419G417-Q419 PolarHBondContact O-N 3.44Å
418P36.9Very low35.4Very low135 Ų135145.3 Ų145.388%0.87781%0.809SS**PPolyproline II helixtrans-69130.1-174.6-16.830.8000112.9
419Q37.8Very low35.1Very low196 Ų196147.2 Ų147.292%0.91681%0.81SS**PPolyproline II helixtrans-76.3142.3176.6-68.3-158-14.600113G417G417-Q419 PolarHBondContact O-N 3.44Å
420R34.8Very low34.6Very low241 Ų241148.8 Ų148.891%0.90982%0.816SS**PPolyproline II helixtrans-82.2140.4-176.5-64.8170.868.9-175.63.5111.2K422R420-K422 PolarHBondContact O-N 3.39Å
421K40.4Very low34.5Very low209 Ų209147.6 Ų147.691%0.90981%0.808SS**PPolyproline II helixtrans-54.4132.7172.6-69.2177.7177175.70111.7
422K36.2Very low34.5Very low203 Ų203147.5 Ų147.588%0.88381%0.808SS**  trans-132.4172.3152.7-84.4-162.4173.3-174.30110.5R420R420-K422 PolarHBondContact O-N 3.39Å
423Q33.2Very low34.5Very low181 Ų181151.6 Ų151.685%0.84681%0.811SS**  trans-93.7163.1-145.9-71.8151.2-65.100115.8
424K33.2Very low34.3Very low202 Ų202151.6 Ų151.688%0.87881%0.813SS**  trans-70.4124.5172.4-168.8-177.3-172.3-175.70109.9
425I33.1Very low34.2Very low155 Ų155154.5 Ų154.580%0.79581%0.811SS**  trans-120148164.8-67.4176.5000107.6
426N30.3Very low33.8Very low120 Ų120155.7 Ų155.764%0.64281%0.812SS**  trans-140.1115.7-166179.158000109.4
427H33.8Very low33.4Very low179 Ų179155.5 Ų155.583%0.82981%0.809SS**  trans-137152.7172.6-85-75.4000111.4
428Q30.1Very low33.3Very low149 Ų149158.6 Ų158.670%0.69682%0.818SS**  trans-118.3158.9-167.5-57.1172.1-20.300110.4
429N29.7Very low32.9Very low153 Ų153160.3 Ų160.382%0.81881%0.814SS**  trans66.7144.5161.2-48.2-31.1000114.9
430A28.9Very low32.5Very low102 Ų102162.9 Ų162.984%0.84382%0.815SS**  cis-141.8173.324.600000113.6
431S31.3Very low32.4Very low91 Ų91157.9 Ų157.964%0.63681%0.805SS**  trans-107.6160.3167.8-1770000109.6
432P38.9Very low31.8Very low127 Ų127155.6 Ų155.683%0.82580%0.802SS**  -132.8159.2110.333.8-23.6000114.2
433H32.1Very low31.5Very low178 Ų178152.2 Ų152.282%0.82479%0.793SS**  trans-78148.9-179.4-79.3-74000113.9
434S30.2Very low31.4Very low119 Ų119148.7 Ų148.783%0.83279%0.789SS**  trans-130.5157.8139.5-175.50000108.7
435K32.8Very low31.3Very low180 Ų180149.5 Ų149.578%0.78379%0.788SS**  trans-107.7139.5-168.4-61.5172.7-177.6173.40111.4
436N29.9Very low31.1Very low162 Ų162152.9 Ų152.987%0.86679%0.791SS**  178.6133.7123.9-87.7-16.4000111.3
437T30.5Very low31.2Very low122 Ų122153.3 Ų153.375%0.74880%0.8SS**  trans-110.7159.1164.152.20000108.8
438P34.7Very low31.1Very low127 Ų127149.3 Ų149.383%0.82579%0.792SS**  -13216994.717.92.2000113.9
439H29.2Very low31.3Very low170 Ų170147.3 Ų147.379%0.78779%0.792SS**  trans-70.3146.9-172.5-71.5-119.3000114.2
440R29.3Very low31.4Very low251 Ų251147.2 Ų147.295%0.94779%0.792SS**  trans-135.9135138.7-154.6172.6-171.8-174.32.4109.9
441I32Very low31.7Very low135 Ų135150.4 Ų150.469%0.69279%0.789SS**  trans-85.7131.3-164.4-63.5167.9000111.3N443I441-N443 WeakPolarHBondContact CG2-OD1 3.5Å; I441-N443 PolarHBondContact O-N 2.91Å
442L28.6Very low32Very low161 Ų161152.9 Ų152.984%0.84379%0.793SS**  trans-90.288.8174.1-173.574.2000110.5S444L442-S444 PolarHBondContact O-N 2.74Å
443N29.7Very low31.7Very low132 Ų132153.7 Ų153.771%0.70679%0.789SS**  trans-69.6102176.8-87.6-1.9000111.4I441I441-N443 WeakPolarHBondContact CG2-OD1 3.5Å; I441-N443 PolarHBondContact O-N 2.91Å
444S30.5Very low31.5Very low107 Ų107153.9 Ų153.975%0.74879%0.788SS**  trans-94.298.1175.242.20000110.8L442 R446L442-S444 PolarHBondContact O-N 2.74Å; S444-R446 PolarHBondContact O-N 3.35Å
445Y30.7Very low31.5Very low219 Ų219152.8 Ų152.886%0.85978%0.78SS**  trans-69.1109.9175-94.2-89.6000111.4
446R29.8Very low31.7Very low227 Ų227150.5 Ų150.586%0.85778%0.781SS**PPolyproline II helixtrans-89.6138.7155.4-72.8-173175.6-1640.5109.1S444S444-R446 PolarHBondContact O-N 3.35Å
447P32.3Very low32Very low128 Ų128149.4 Ų149.483%0.83178%0.775SS**PPolyproline II helixtrans-71.2129.5170.429.3-32.5000110.3
448S31.6Very low32.4Very low96 Ų96150.9 Ų150.967%0.67178%0.778SS**PPolyproline II helixtrans-84.8140.8171.2-167.60000110.5N450S448-N450 PolarHBondContact O-N 2.84Å
449P35.1Very low32.6Very low106 Ų106154.3 Ų154.369%0.68878%0.781SS**  trans-79.7105.7174.131.1-31.9000110.8H451P449-H451 PolarHBondContact O-N 2.79Å
450N32.3Very low32.8Very low152 Ų152153.9 Ų153.981%0.81378%0.784SS**  trans-73.391.9176.8-71.7-6.5000111.4S448S448-N450 PolarHBondContact O-N 2.84Å
451H34.9Very low33Very low168 Ų168149.8 Ų149.878%0.77878%0.781SS**PPolyproline II helixtrans-90.8124.8156.9-77.6-87000109.3P449P449-H451 PolarHBondContact O-N 2.79Å
452I37.8Very low33Very low143 Ų143148 Ų14873%0.73379%0.787SS**PPolyproline II helixtrans-79.2120.8172.2-62.2172.9000107.8F454I452-F454 HydrophobicContact CG2-CD2 4.42Å; I452-F454 HydrophobicContact CG2-CE2 4.22Å
453I30.8Very low33.3Very low144 Ų144146 Ų14674%0.73878%0.781SS**PPolyproline II helixtrans-102.7125.5167.8-59.7175.8000106.4S455I453-S455 PolarHBondContact O-N 2.73Å
454F29Very low33.6Very low183 Ų183145.7 Ų145.780%0.80379%0.786SS**  trans-82.3107.5170.7-74-87.6000109.1I452I452-F454 HydrophobicContact CG2-CD2 4.42Å; I452-F454 HydrophobicContact CG2-CE2 4.22Å
455S30.8Very low33.6Very low95 Ų95150.1 Ų150.166%0.66479%0.792SS**  trans-80.9134.4164.1-60.70000109.1I453I453-S455 PolarHBondContact O-N 2.73Å
456V36.9Very low33.5Very low132 Ų132145.8 Ų145.880%0.879%0.789SS**SBendtrans-108.847-171.6-71.30000112.7
457D36.4Very low33.4Very low140 Ų140143.9 Ų143.975%0.74979%0.787SS**  trans-131.9-2.7-176.2-79.2-67.3000115.5F459D457-F459 VanDerWaalsContact C-N 3.29Å; D457-F459 PolarHBondContact O-N 2.85Å; D457-F459 VanDerWaalsContact O-N 3.11Å
458D38.8Very low33.3Very low152 Ų152144.1 Ų144.181%0.81379%0.786SS**  trans-86.946.4-178.3-79.7-45.7000114.1
459F38.3Very low33Very low200 Ų200143.8 Ų143.888%0.87779%0.789SS**  trans-139.390.4170.7-80.7-73.5000112.3D457D457-F459 VanDerWaalsContact C-N 3.29Å; D457-F459 PolarHBondContact O-N 2.85Å; D457-F459 VanDerWaalsContact O-N 3.11Å
460N33.2Very low32.7Very low161 Ų161148.8 Ų148.886%0.86180%0.8SS**  trans-148.4106.5164.2-90.5-68.2000110.9A462N460-A462 PolarHBondContact O-N 3.21Å
461D32.7Very low32.8Very low165 Ų165149.4 Ų149.488%0.88280%0.798SS**  trans-73.6119.2177.4-90.2-51.3000112.3T463D461-T463 PolarHBondContact O-N 2.99Å
462A32.5Very low32.8Very low98 Ų98146.5 Ų146.581%0.8179%0.794SS**  trans-86.497.3176.400000111.7N460N460-A462 PolarHBondContact O-N 3.21Å
463T34.8Very low32.5Very low118 Ų118148.8 Ų148.872%0.72480%0.799SS**PPolyproline II helixtrans-81.4124.7176.751.40000112.6D461D461-T463 PolarHBondContact O-N 2.99Å
464P35.8Very low32.5Very low125 Ų125147.5 Ų147.581%0.81280%0.803SS**PPolyproline II helixtrans-83.1124.417731.3-32.6000111.8
465K30.2Very low32.3Very low200 Ų200142.7 Ų142.787%0.8781%0.805SS**PPolyproline II helixtrans-90.3155172.6-71.7-179.1179.8173.60111.9
466T28.8Very low32.2Very low129 Ų129141.5 Ų141.579%0.79181%0.807SS**PPolyproline II helixtrans-91154.2-171.5500000114.2
467K29.3Very low31.7Very low186 Ų186141.1 Ų141.181%0.80981%0.811SS**  trans177.6128.8130.1-98.9163.7-172.8-176.40114.6
468T28.2Very low31.4Very low133 Ų133139.3 Ų139.382%0.81682%0.815SS**  trans33.7144.713957.90000122
469A26.7Very low30.9Very low90 Ų90141.7 Ų141.774%0.74482%0.818SS**  cis-169.4155.5-9.200000108.3
470K28.1Very low31.1Very low210 Ų210137.7 Ų137.791%0.91381%0.812SS**  -174.2164.990.7-90.5-179.9178.5177.80110.9
471Q33.7Very low30.8Very low166 Ų166134.7 Ų134.778%0.77680%0.804SS**  trans-116158.1177.9-99.4-80.8-29.500109.8
472P36.1Very low30.6Very low107 Ų107134.2 Ų134.270%0.69580%0.801SS**  -154.1133.894.136.6-16.8000118.4
473K31.8Very low30.4Very low190 Ų190138.7 Ų138.783%0.82681%0.805SS**  trans60.9150.8135-57.6178.5-179.5-177.60118.4
474S29.7Very low30.1Very low118 Ų118139 Ų13983%0.82581%0.806SS**  cis-145.5150.6-2.241.60000107.3
475G26.2Very low29.7Very low82 Ų82142.2 Ų142.285%0.84581%0.808SS**  91.2116.959.600000110.1
476G27.7Very low29.6Very low69 Ų69143.4 Ų143.471%0.71181%0.807SS**  cis-177.6-156.20.300000114.1
477S27.6Very low29.6Very low125 Ų125143.4 Ų143.487%0.87481%0.807SS**  trans50.2100.6163.958.40000120.7
478A28.4Very low29.5Very low102 Ų102138.5 Ų138.584%0.84381%0.81SS**  176.3154.6111.900000113.1
479K28.4Very low29.5Very low201 Ų201136.2 Ų136.287%0.87481%0.812SS**  trans-145.9176.3167.1-70.3-170.7177.3-175.80107.1
480P43.7Very low29.7Very low117 Ų117141 Ų14176%0.7682%0.819SS**  -130.5175.3-60.639.7-25.6000111
481S26.5Very low29.8Very low98 Ų98140.7 Ų140.769%0.68582%0.821SS**  trans179.4128.9140.954.40000112.8
482D28.4Very low29.6Very low154 Ų154137.4 Ų137.482%0.82482%0.817SS**  trans42.3128.8130.4-45.8-27000121.5
483H27.8Very low29.6Very low192 Ų192141.7 Ų141.789%0.88983%0.827SS**  trans-132.8114.7162.8-121.6-60.4000110.3
484V29.4Very low29.6Very low124 Ų124140 Ų14075%0.75283%0.827SS**  trans-133.6136.5172.7175.40000108.8
485F27.3Very low29.8Very low193 Ų193139.9 Ų139.985%0.84683%0.827SS**  trans-19.7137.4174.8-62.4-103.7000118.4
486R28Very low30.1Very low225 Ų225145.7 Ų145.785%0.84983%0.828SS**  -179.5143.996.3-102.7-165.2170.1-179.1-3.2116.9
487T29.5Very low30.2Very low129 Ų129147.6 Ų147.679%0.79183%0.831SS**  trans35.3133.6143.160.60000123.8
488G27Very low30.5Very low84 Ų84147.7 Ų147.787%0.86683%0.831SS**  120.2148.3122.700000118
489G27.1Very low30.8Very low84 Ų84152.7 Ų152.787%0.86683%0.834SS**  trans129115.9166.200000115.2
490E31.1Very low31.1Very low190 Ų190152.7 Ų152.789%0.88883%0.834SS**  trans-97.1157.6171.7-59.6161.296.900111.4
491Q31.2Very low30.7Very low204 Ų204156.3 Ų156.395%0.95384%0.838SS**  trans-163.8157.4132.5-111.8166.549.400113.5
492S29.6Very low31.2Very low98 Ų98160.2 Ų160.269%0.68585%0.846SS**  trans-105.5153.6-174.3169.40000111.9
493Q34.7Very low31.4Very low196 Ų196159.4 Ų159.492%0.91685%0.846SS**  trans-146.9147.2142-75.7-150.8-16.600112.7
494D31.4Very low31.6Very low155 Ų155154.1 Ų154.183%0.82984%0.843SS**  trans-86.9151-179.3-76.9-80.8000114.7
495S34Very low32.2Very low116 Ų116158.4 Ų158.481%0.81185%0.852SS**  trans-163.1112135.461.70000115.9
496K33.4Very low32.9Very low203 Ų203159.1 Ų159.188%0.88386%0.855SS**  trans3.9120.2146.4-65.8160.9-174168.90117.2
497S30.3Very low33.7Very low109 Ų109158.2 Ų158.276%0.76286%0.857SS**  88124.166.3-176.40000115.6
498S32.6Very low34.5Very low127 Ų127162.9 Ų162.989%0.88886%0.86SS**  trans-162.2121.5155.9-87.30000111.3
499K35.4Very low35.4Very low207 Ų207168.1 Ų168.190%0.986%0.862SS**  trans-126.7104.5-174.3-167.6172.3-172.5171.20110.5
500K35.7Very low36.4Very low201 Ų201177.3 Ų177.387%0.87488%0.878SS**  trans-91.8104.1-169.8-162.7172.3-172.1174.50112.1
501K34.6Very low36.7Very low194 Ų194176.7 Ų176.784%0.84388%0.877SS**  trans-71.7145.4166.5-84.9-176.9172-179.80110.6
502Q35.7Very low37Very low180 Ų180175.2 Ų175.284%0.84187%0.873SS**  trans-123.4128.3162.4-83.4-175.6-28.900109.4
503T32.7Very low37.4Very low137 Ų137179.5 Ų179.584%0.8488%0.884SS**  trans-150.8124.5169.5470000111
504G33.1Very low37.5Very low80 Ų80178.5 Ų178.583%0.82588%0.882SS**  trans83113.3147.100000119.3
505K41.5Very low37.9Very low215 Ų215180 Ų18094%0.93589%0.885SS**  trans-151.7119.1136.4-118.7171.1-174.3174.60110.7
506K41.5Very low38.2Very low208 Ų208184.3 Ų184.390%0.90489%0.89SS**  trans-74.1150.4168.8-71.8179174.9177.70109.7
507K45.5Very low38.5Very low205 Ų205182.9 Ų182.989%0.89189%0.891SS**  trans-139.8145.3152.3-144.9176.3-177.1-173.90109.1
508R46.9Very low39.1Very low228 Ų228188.6 Ų188.686%0.8690%0.901SS**  trans-98.4178.9177.8-75.217366.4-170.41.9110.1
509Q44.6Very low39.7Very low193 Ų193193.8 Ų193.890%0.90290%0.902SS**  trans87.2141.5-177.3-56.3171.5-19.200112.7
510K49.2Very low40.1Very low277 Ų277192.5 Ų192.5100%1.20490%0.902SS**  cis-117.106.6-160.5173.6-176.5-178.70112

Retrieved 510 of 510 residues in 167.4 ms (Link to these results)