A0A087YH43_POEFO Loading...

MSS51 mitochondrial translational activator

AlphaFold DB , UniProt , Accession A0A087YH43, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 433 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
1M32Very low38Very low245 Ų245126.5 Ų126.5100%1.20774%0.735SS**  0116.20-64.8-165.5-168.500107.7S3M1-S3 PolarHBondContact O-N 3.45Å; M1-S3 VanDerWaalsContact O-N 3.13Å
2A27.6Very low38.9Very low100 Ų100121.1 Ų121.183%0.82670%0.696SS**  trans-63.4111.4177.600000108.8Q4A2-Q4 PolarHBondContact O-N 2.71Å
3S28.2Very low39.8Very low109 Ų109115.6 Ų115.676%0.76267%0.67SS**  trans-61.8105.4170.2165.40000107.5M1 T5M1-S3 PolarHBondContact O-N 3.45Å; M1-S3 VanDerWaalsContact O-N 3.13Å; S3-T5 PolarHBondContact O-N 3.3Å; S3-T5 VanDerWaalsContact O-N 3.12Å
4Q29.7Very low40.9Very low182 Ų182109.4 Ų109.485%0.8564%0.635SS**PPolyproline II helixtrans-55.7117.6169.4-72.2-178.9-10.600108.1A2A2-Q4 PolarHBondContact O-N 2.71Å
5T33.3Very low41.8Very low107 Ų107104.9 Ų104.966%0.65662%0.621SS**PPolyproline II helixtrans-58.3125169-39.80000107S3 T7S3-T5 PolarHBondContact O-N 3.3Å; S3-T5 VanDerWaalsContact O-N 3.12Å; T5-T7 PolarHBondContact O-N 2.96Å; T5-T7 VanDerWaalsContact O-N 3.14Å
6P38.7Very low42Very low95 Ų95103.7 Ų103.762%0.61762%0.616SS**PPolyproline II helixtrans-62.1121.6179.7-11.822.4000108.9L8P6-L8 PolarHBondContact O-N 3.23Å
7T40.3Very low42.4Very low138 Ų138105.2 Ų105.285%0.84762%0.62SS**PPolyproline II helixtrans-58131.8168.330.30000109.6T5T5-T7 PolarHBondContact O-N 2.96Å; T5-T7 VanDerWaalsContact O-N 3.14Å
8L44.8Very low43.4Very low61 Ų6199.9 Ų99.932%0.31959%0.589SS.*PPolyproline II helixtrans-61.5139.9179.8-69.9165.8000110.5P6 Y27 D30P6-L8 PolarHBondContact O-N 3.23Å; L8-Y27 HydrophobicContact CD1-CE2 4.25Å; L8-D30 HydrophobicContact CD1-CB 4.26Å; L8-D30 HydrophobicContact CD2-CB 3.83Å
9P48.4Very low44.5Very low74 Ų7496.6 Ų96.648%0.48157%0.57SS.*PPolyproline II helixtrans-62.5146.5173.8-14.126000111S11 F12P9-S11 PolarHBondContact O-N 3.08Å; P9-F12 HydrophobicContact CB-CD2 3.77Å; P9-F12 HydrophobicContact CB-CE2 4.09Å; P9-F12 HydrophobicContact CG-CD2 3.65Å; P9-F12 HydrophobicContact CG-CE2 3.73Å; P9-F12 PolarHBondContact O-N 3.35Å
10Q46.3Very low45.7Very low189 Ų18994.6 Ų94.688%0.88355%0.554SS**G310 helixtrans-52.8-29.7-178.7-86.8178.6-20.300113.9F12 S13Q10-F12 PolarHBondContact O-N 2.84Å; Q10-S13 PolarHBondContact O-N 2.97Å
11S48.5Very low47.1Very low91 Ų9192.6 Ų92.664%0.63655%0.545SS*.G310 helixtrans-66.4-16.317861.10000114.9P9P9-S11 PolarHBondContact O-N 3.08Å
12F49.2Very low48.9Very low62 Ų6281.7 Ų81.727%0.27249%0.492SS..G310 helixtrans-97-16-178.4-68.9-90.7000113.3P9 Q10 Y27P9-F12 HydrophobicContact CB-CD2 3.77Å; P9-F12 HydrophobicContact CB-CE2 4.09Å; P9-F12 HydrophobicContact CG-CD2 3.65Å; P9-F12 HydrophobicContact CG-CE2 3.73Å; P9-F12 PolarHBondContact O-N 3.35Å; Q10-F12 PolarHBondContact O-N 2.84Å; F12-Y27 VanDerWaalsContact O-CD2 3.29Å; F12-Y27 WeakPolarHBondContact O-CD2 3.28Å
13S50.2Low51.1Low50 Ų5078.8 Ų78.835%0.3546%0.461SS..SBendtrans-80.2127.2174.8-59.50000108.7Q10 G15Q10-S13 PolarHBondContact O-N 2.97Å; S13-G15 PolarHBondContact O-N 3.28Å; S13-G15 VanDerWaalsContact O-N 3.15Å
14P55.4Low53.4Low28 Ų2874.4 Ų74.418%0.18243%0.431CS..PPolyproline II helixtrans-56.1124.7168.1-17.629.8000106.3Y27P14-Y27 VanDerWaalsContact CD-CD2 3.42Å; P14-Y27 HydrophobicContact CG-CD1 4.07Å; P14-Y27 HydrophobicContact CG-CD2 4.44Å; P14-Y27 HydrophobicContact CG-CG 3.82Å
15G54Low55.8Low42 Ų4267.3 Ų67.343%0.43341%0.406SS..PPolyproline II helixtrans-57.2155.516600000108.6S13 D17 S18S13-G15 PolarHBondContact O-N 3.28Å; S13-G15 VanDerWaalsContact O-N 3.15Å; G15-D17 PolarHBondContact O-N 3.26Å; G15-S18 PolarHBondContact O-N 3.14Å
16T45.7Very low58.1Low86 Ų8663.2 Ų63.253%0.52838%0.379SS..THydrogen-bonded Turntrans-53.5-17.8169.4470000112.3G339 Q342T16-G339 WeakPolarHBondContact O-CA 3.37Å; T16-Q342 PolarHBondContact O-OE1 3.42Å
17D48.3Very low60.2Low130 Ų13063 Ų6370%0.69537%0.367SS*.THydrogen-bonded Turntrans-1037.8-175-43.1-19.2000112.7G15 V19G15-D17 PolarHBondContact O-N 3.26Å; D17-V19 PolarHBondContact O-N 2.85Å
18S61.1Low62.2Low9 Ų959 Ų596%0.06335%0.345CS..  trans-79.9117.6-178.9-1700000111.9G15 Q23 G339G15-S18 PolarHBondContact O-N 3.14Å; S18-Q23 PolarHBondContact OG-OE1 3.3Å; S18-G339 CarbonylContact O-C 3.53Å
19V63.4Low64.2Low37 Ų3757 Ų5722%0.22434%0.335CS..  trans-94.33.6176.8-57.10000113.3D17 L307D17-V19 PolarHBondContact O-N 2.85Å; V19-L307 HydrophobicContact CB-CD2 4.36Å; V19-L307 HydrophobicContact CG2-CD2 4.18Å
20F69.8Low66Low56 Ų5653.7 Ų53.725%0.24631%0.313CS..  trans-101130.7-172.5-57.4-84.4000112.1D22 S24 P278 E279F20-D22 WeakPolarHBondContact CB-OD1 3.29Å; F20-S24 PolarHBondContact O-OG 3.19Å; F20-P278 HydrophobicContact CD1-CB 4.38Å; F20-P278 HydrophobicContact CE1-CB 4.07Å; F20-E279 HydrophobicContact CD1-CG 3.89Å
21S73.8Confident67.9Low53 Ų5347.5 Ų47.537%0.37129%0.29SS..Hα-helixtrans-72.8-36.3-177.668.50000112.3Q23 S24 G25 E279S21-Q23 PolarHBondContact O-N 3.12Å; S21-S24 WeakPolarHBondContact O-CB 3.33Å; S21-S24 PolarHBondContact O-N 2.75Å; S21-G25 PolarHBondContact O-N 3.05Å; S21-E279 VanDerWaalsContact CB-OE2 3.29Å; S21-E279 WeakPolarHBondContact CB-OE2 3.45Å; S21-E279 PolarHBondContact N-OE2 3.47Å; S21-E279 VanDerWaalsContact OG-CD 3.28Å; S21-E279 PolarHBondContact OG-OE1 3.14Å; S21-E279 PolarHBondContact OG-OE2 3.12Å
22D70.6Confident69.8Low16 Ų1646 Ų469%0.08628%0.275CS..Hα-helixtrans-56.6-46.7177.462-8.7000112.8F20 S24 G25 F26 F49 R53 E279F20-D22 WeakPolarHBondContact CB-OD1 3.29Å; D22-S24 VanDerWaalsContact C-N 3.34Å; D22-S24 PolarHBondContact O-N 3.29Å; D22-G25 PolarHBondContact O-N 3.15Å; D22-G25 VanDerWaalsContact O-N 3.15Å; D22-F26 WeakPolarHBondContact O-CD2 3.22Å; D22-F26 PolarHBondContact O-N 3.16Å; D22-F49 HydrophobicContact CB-CE2 4.05Å; D22-F49 HydrophobicContact CB-CZ 4.13Å; D22-F49 VanDerWaalsContact OD1-CZ 3.31Å; D22-F49 WeakPolarHBondContact OD1-CZ 3.44Å; D22-F49 WeakPolarHBondContact OD2-CZ 3.38Å; D22-R53 IonicContact OD1-CZ 2.59Å; D22-R53 IonicContact OD1-NE 3.65Å; D22-R53 IonicContact OD1-NH2 3.9Å; D22-R53 PolarHBondContact OD1-NH2 2.84Å; D22-R53 IonicContact OD2-CZ 2.99Å; D22-R53 IonicContact OD2-NE 2.7Å; D22-R53 PolarHBondContact OD2-NE 2.82Å; D22-R53 IonicContact OD2-NH2 3.89Å; D22-R53 PolarHBondContact OD2-NH2 3.32Å; D22-E279 WeakPolarHBondContact CB-OE1 3.37Å; D22-E279 VanDerWaalsContact CG-OE1 3.26Å; D22-E279 PolarHBondContact N-OE1 3.32Å
23Q74.4Confident71.8Confident39 Ų3943 Ų4318%0.18226%0.262CS..Hα-helixtrans-64.1-42179.8-168.1176.96.300111.2S18 S21 G25 F26 Y27 F49S18-Q23 PolarHBondContact OG-OE1 3.3Å; S21-Q23 PolarHBondContact O-N 3.12Å; Q23-G25 VanDerWaalsContact C-N 3.3Å; Q23-G25 PolarHBondContact O-N 3.24Å; Q23-F26 PolarHBondContact O-N 2.98Å; Q23-Y27 PolarHBondContact O-N 3.09Å; Q23-F49 VanDerWaalsContact CA-CZ 3.49Å; Q23-F49 HydrophobicContact CB-CE1 3.87Å; Q23-F49 HydrophobicContact CB-CE2 4.36Å; Q23-F49 HydrophobicContact CB-CZ 3.55Å; Q23-F49 HydrophobicContact CG-CE1 4.07Å; Q23-F49 HydrophobicContact CG-CZ 4.16Å
24S76Confident73.8Confident18 Ų1842.5 Ų42.513%0.12626%0.258CS..Hα-helixtrans-62.5-39.2174.9-61.90000111.3F20 S21 D22 Y27 S28 N337F20-S24 PolarHBondContact O-OG 3.19Å; S21-S24 WeakPolarHBondContact O-CB 3.33Å; S21-S24 PolarHBondContact O-N 2.75Å; D22-S24 VanDerWaalsContact C-N 3.34Å; D22-S24 PolarHBondContact O-N 3.29Å; S24-Y27 PolarHBondContact O-N 2.81Å; S24-S28 WeakPolarHBondContact O-CB 3.25Å; S24-S28 PolarHBondContact O-N 2.85Å; S24-N337 PolarHBondContact OG-ND2 3.47Å; S24-N337 VanDerWaalsContact OG-ND2 3.16Å
25G80.4Confident75.4Confident33 Ų3342 Ų4234%0.3426%0.258SS..Hα-helixtrans-62.3-48175.500000113S21 D22 Q23 Y27 S28 L29S21-G25 PolarHBondContact O-N 3.05Å; D22-G25 PolarHBondContact O-N 3.15Å; D22-G25 VanDerWaalsContact O-N 3.15Å; Q23-G25 VanDerWaalsContact C-N 3.3Å; Q23-G25 PolarHBondContact O-N 3.24Å; G25-Y27 PolarHBondContact O-N 3.36Å; G25-S28 WeakPolarHBondContact O-CB 3.4Å; G25-S28 PolarHBondContact O-N 3.47Å; G25-L29 WeakPolarHBondContact O-CG 3.38Å; G25-L29 PolarHBondContact O-N 3.12Å
26F81.4Confident77.1Confident20 Ų2040 Ų409%0.08824%0.237CC..Hα-helixtrans-63.9-39.8177.2-89.2-94.7000113D22 Q23 L29 D30 I40 L41 F49 Y52D22-F26 WeakPolarHBondContact O-CD2 3.22Å; D22-F26 PolarHBondContact O-N 3.16Å; Q23-F26 PolarHBondContact O-N 2.98Å; F26-L29 WeakPolarHBondContact O-CB 3.13Å; F26-L29 PolarHBondContact O-N 3.14Å; F26-D30 PolarHBondContact O-N 2.82Å; F26-D30 VanDerWaalsContact O-N 3.17Å; F26-I40 HydrophobicContact CE1-CB 4.36Å; F26-I40 HydrophobicContact CE1-CG2 4.24Å; F26-I40 HydrophobicContact CZ-CG2 4.14Å; F26-L41 HydrophobicContact CE1-CD2 4.25Å; F26-L41 HydrophobicContact CE1-CG 4.21Å; F26-L41 HydrophobicContact CZ-CD2 4.48Å; F26-F49 HydrophobicContact CD2-CD2 4.18Å; F26-F49 HydrophobicContact CD2-CE2 4.06Å; F26-F49 HydrophobicContact CG-CD2 4.4Å; F26-Y52 AromaticContact CE2-CD1 3.88Å; F26-Y52 HydrophobicContact CE2-CD1 3.88Å; F26-Y52 HydrophobicContact CE2-CD2 4.44Å; F26-Y52 AromaticContact CE2-CE1 3.65Å; F26-Y52 HydrophobicContact CE2-CE1 3.65Å; F26-Y52 HydrophobicContact CE2-CE2 4.24Å; F26-Y52 HydrophobicContact CE2-CG 4.28Å; F26-Y52 AromaticContact CE2-CZ 3.85Å; F26-Y52 HydrophobicContact CZ-CD1 4.23Å; F26-Y52 HydrophobicContact CZ-CD2 4.07Å; F26-Y52 HydrophobicContact CZ-CE1 4.23Å; F26-Y52 HydrophobicContact CZ-CE2 4.05Å; F26-Y52 HydrophobicContact CZ-CG 4.17Å
27Y81.5Confident79.1Confident90 Ų9036 Ų3635%0.35321%0.213SC..Hα-helixtrans-62.9-42.3173.4177.7-104.5000112.5L8 F12 P14 Q23 S24 G25 L29 D30 S31L8-Y27 HydrophobicContact CD1-CE2 4.25Å; F12-Y27 VanDerWaalsContact O-CD2 3.29Å; F12-Y27 WeakPolarHBondContact O-CD2 3.28Å; P14-Y27 VanDerWaalsContact CD-CD2 3.42Å; P14-Y27 HydrophobicContact CG-CD1 4.07Å; P14-Y27 HydrophobicContact CG-CD2 4.44Å; P14-Y27 HydrophobicContact CG-CG 3.82Å; Q23-Y27 PolarHBondContact O-N 3.09Å; S24-Y27 PolarHBondContact O-N 2.81Å; G25-Y27 PolarHBondContact O-N 3.36Å; Y27-L29 VanDerWaalsContact C-N 3.32Å; Y27-L29 PolarHBondContact O-N 3.46Å; Y27-D30 PolarHBondContact O-N 3.06Å; Y27-S31 WeakPolarHBondContact CE1-OG 3.34Å; Y27-S31 WeakPolarHBondContact O-CB 3.35Å; Y27-S31 PolarHBondContact O-N 3.43Å; Y27-S31 PolarHBondContact O-OG 3.12Å
28S83.6Confident81Confident55 Ų5535.7 Ų35.739%0.38521%0.205SC..Hα-helixtrans-61.6-41.1175.7-176.80000111.5S24 G25 D30 S31 N32S24-S28 WeakPolarHBondContact O-CB 3.25Å; S24-S28 PolarHBondContact O-N 2.85Å; G25-S28 WeakPolarHBondContact O-CB 3.4Å; G25-S28 PolarHBondContact O-N 3.47Å; S28-D30 PolarHBondContact O-N 2.86Å; S28-S31 PolarHBondContact O-N 3.27Å; S28-N32 PolarHBondContact O-N 2.75Å; S28-N32 PolarHBondContact O-ND2 2.82Å
29L86.6Confident82.3Confident20 Ų2035.6 Ų35.611%0.10520%0.204CC..Hα-helixtrans-57-49.2175.3-73.5164.5000111.7G25 F26 Y27 N32 V33 L36 I40 Q399 A400G25-L29 WeakPolarHBondContact O-CG 3.38Å; G25-L29 PolarHBondContact O-N 3.12Å; F26-L29 WeakPolarHBondContact O-CB 3.13Å; F26-L29 PolarHBondContact O-N 3.14Å; Y27-L29 VanDerWaalsContact C-N 3.32Å; Y27-L29 PolarHBondContact O-N 3.46Å; L29-N32 PolarHBondContact O-N 3.18Å; L29-V33 WeakPolarHBondContact O-CA 3.4Å; L29-V33 PolarHBondContact O-N 3.3Å; L29-L36 HydrophobicContact CB-CD2 4.32Å; L29-L36 HydrophobicContact CD2-CD2 3.64Å; L29-L36 HydrophobicContact CD2-CG 4.39Å; L29-I40 HydrophobicContact CD1-CD1 3.58Å; L29-Q399 HydrophobicContact CD2-CB 4.04Å; L29-Q399 HydrophobicContact CD2-CG 3.96Å; L29-A400 HydrophobicContact CD2-CB 3.94Å
30D87Confident83.4Confident4 Ų434.5 Ų34.52%0.02120%0.196CC..Hα-helixtrans-73.2-35.4-178.3-86.5-21.5000114.1L8 F26 Y27 S28 N32 V33 P34 G35 L36 S37L8-D30 HydrophobicContact CD1-CB 4.26Å; L8-D30 HydrophobicContact CD2-CB 3.83Å; F26-D30 PolarHBondContact O-N 2.82Å; F26-D30 VanDerWaalsContact O-N 3.17Å; Y27-D30 PolarHBondContact O-N 3.06Å; S28-D30 PolarHBondContact O-N 2.86Å; D30-N32 PolarHBondContact O-N 3.45Å; D30-V33 CarbonylContact O-C 3.34Å; D30-V33 PolarHBondContact O-N 3.16Å; D30-P34 VanDerWaalsContact O-CA 3.23Å; D30-P34 WeakPolarHBondContact O-CA 3.13Å; D30-G35 VanDerWaalsContact OD1-CA 3.29Å; D30-G35 WeakPolarHBondContact OD1-CA 3.33Å; D30-G35 PolarHBondContact OD1-N 2.93Å; D30-L36 PolarHBondContact OD1-N 3.14Å; D30-S37 PolarHBondContact OD1-N 2.74Å; D30-S37 PolarHBondContact OD1-OG 3.47Å; D30-S37 WeakPolarHBondContact OD2-CB 3.17Å; D30-S37 PolarHBondContact OD2-OG 3.32Å
31S86Confident84.3Confident59 Ų5932.1 Ų32.141%0.41319%0.186SC..Hα-helixtrans-62.5-34176.8-62.10000111.5Y27 S28Y27-S31 WeakPolarHBondContact CE1-OG 3.34Å; Y27-S31 WeakPolarHBondContact O-CB 3.35Å; Y27-S31 PolarHBondContact O-N 3.43Å; Y27-S31 PolarHBondContact O-OG 3.12Å; S28-S31 PolarHBondContact O-N 3.27Å
32N88Confident84.9Confident59 Ų5933.1 Ų33.132%0.31619%0.187SC..Hα-helixtrans-89.1-38.4177.4-71.3-73.6000112.7S28 L29 D30 N86 A400 C401S28-N32 PolarHBondContact O-N 2.75Å; S28-N32 PolarHBondContact O-ND2 2.82Å; L29-N32 PolarHBondContact O-N 3.18Å; D30-N32 PolarHBondContact O-N 3.45Å; N32-N86 PolarHBondContact O-ND2 2.78Å; N32-A400 HydrophobicContact CB-CB 3.54Å; N32-C401 VanDerWaalsContact CG-SG 3.59Å; N32-C401 PolarHBondContact OD1-SG 3.35Å
33V90.7Very high85.7Confident0 Ų034.7 Ų34.70%019%0.194CC..SBendtrans-132.889.8-178.9-174.80000109.2L29 D30 G35 L36 F81 N86 L88 A400L29-V33 WeakPolarHBondContact O-CA 3.4Å; L29-V33 PolarHBondContact O-N 3.3Å; D30-V33 CarbonylContact O-C 3.34Å; D30-V33 PolarHBondContact O-N 3.16Å; V33-G35 PolarHBondContact O-N 3.34Å; V33-L36 HydrophobicContact CB-CB 3.87Å; V33-L36 HydrophobicContact CB-CD2 3.87Å; V33-L36 HydrophobicContact CB-CG 4.48Å; V33-L36 HydrophobicContact CG1-CB 3.85Å; V33-L36 HydrophobicContact CG1-CD2 4.16Å; V33-L36 HydrophobicContact CG1-CG 4.46Å; V33-L36 HydrophobicContact CG2-CD2 4.18Å; V33-L36 VanDerWaalsContact O-CB 3.24Å; V33-L36 WeakPolarHBondContact O-CB 3.34Å; V33-L36 PolarHBondContact O-N 3.39Å; V33-F81 HydrophobicContact CG1-CB 4.09Å; V33-F81 HydrophobicContact CG1-CD1 4.43Å; V33-F81 HydrophobicContact CG1-CD2 3.95Å; V33-F81 HydrophobicContact CG1-CG 3.9Å; V33-F81 HydrophobicContact CG2-CD2 3.97Å; V33-F81 HydrophobicContact CG2-CE2 3.72Å; V33-F81 HydrophobicContact CG2-CG 4.46Å; V33-F81 HydrophobicContact CG2-CZ 4.01Å; V33-N86 HydrophobicContact CG1-CB 4.1Å; V33-N86 HydrophobicContact CG2-CB 4.44Å; V33-L88 HydrophobicContact CG1-CD2 3.9Å; V33-A400 HydrophobicContact CG2-CB 4.32Å; V33-A400 WeakPolarHBondContact CG2-O 3.25Å
34P91.5Very high86.1Confident39 Ų3933.9 Ų33.925%0.25319%0.191SC..THydrogen-bonded Turntrans-57.9113.6-171.9-29.536.1000114.3D30 L88 R91D30-P34 VanDerWaalsContact O-CA 3.23Å; D30-P34 WeakPolarHBondContact O-CA 3.13Å; P34-L88 WeakPolarHBondContact O-CD1 3.44Å; P34-R91 VanDerWaalsContact O-CZ 3.3Å; P34-R91 PolarHBondContact O-NH1 2.77Å; P34-R91 PolarHBondContact O-NH2 2.85Å
35G89Confident86.6Confident18 Ų1837.3 Ų37.319%0.18622%0.215CC..THydrogen-bonded Turntrans96.85.2179.200000114.5D30 V33 S37 K38 V39 L88D30-G35 VanDerWaalsContact OD1-CA 3.29Å; D30-G35 WeakPolarHBondContact OD1-CA 3.33Å; D30-G35 PolarHBondContact OD1-N 2.93Å; V33-G35 PolarHBondContact O-N 3.34Å; G35-S37 VanDerWaalsContact C-N 3.31Å; G35-K38 PolarHBondContact O-N 3.11Å; G35-V39 PolarHBondContact O-N 3.4Å; G35-L88 WeakPolarHBondContact O-CD1 3.44Å
36L89.4Confident86.8Confident0 Ų036.6 Ų36.60%020%0.203CC..Hα-helixtrans-64.3-36.6177.2-177.958.6000111.6L29 D30 V33 K38 V39 I40 F81 L88 Q399L29-L36 HydrophobicContact CB-CD2 4.32Å; L29-L36 HydrophobicContact CD2-CD2 3.64Å; L29-L36 HydrophobicContact CD2-CG 4.39Å; D30-L36 PolarHBondContact OD1-N 3.14Å; V33-L36 HydrophobicContact CB-CB 3.87Å; V33-L36 HydrophobicContact CB-CD2 3.87Å; V33-L36 HydrophobicContact CB-CG 4.48Å; V33-L36 HydrophobicContact CG1-CB 3.85Å; V33-L36 HydrophobicContact CG1-CD2 4.16Å; V33-L36 HydrophobicContact CG1-CG 4.46Å; V33-L36 HydrophobicContact CG2-CD2 4.18Å; V33-L36 VanDerWaalsContact O-CB 3.24Å; V33-L36 WeakPolarHBondContact O-CB 3.34Å; V33-L36 PolarHBondContact O-N 3.39Å; L36-K38 VanDerWaalsContact C-N 3.26Å; L36-K38 PolarHBondContact O-N 3.31Å; L36-V39 WeakPolarHBondContact O-CB 3.32Å; L36-V39 PolarHBondContact O-N 2.89Å; L36-V39 VanDerWaalsContact O-N 3.14Å; L36-I40 HydrophobicContact CG-CD1 4.39Å; L36-I40 WeakPolarHBondContact O-CG1 3.46Å; L36-I40 PolarHBondContact O-N 3.38Å; L36-F81 HydrophobicContact CD1-CD1 4.06Å; L36-F81 HydrophobicContact CD2-CD1 4.19Å; L36-F81 HydrophobicContact CD2-CE1 4.11Å; L36-L88 HydrophobicContact CD1-CD2 4.29Å; L36-Q399 HydrophobicContact CD2-CG 4.41Å
37S89.1Confident86.9Confident2 Ų243.8 Ų43.81%0.01424%0.235CC..Hα-helixtrans-53-46.1173.962.80000111.9D30 G35 V39 I40 L41D30-S37 PolarHBondContact OD1-N 2.74Å; D30-S37 PolarHBondContact OD1-OG 3.47Å; D30-S37 WeakPolarHBondContact OD2-CB 3.17Å; D30-S37 PolarHBondContact OD2-OG 3.32Å; G35-S37 VanDerWaalsContact C-N 3.31Å; S37-V39 VanDerWaalsContact C-N 3.35Å; S37-V39 PolarHBondContact O-N 2.94Å; S37-I40 WeakPolarHBondContact O-CB 3.46Å; S37-I40 PolarHBondContact O-N 2.93Å; S37-L41 WeakPolarHBondContact O-CG 3.29Å; S37-L41 PolarHBondContact O-N 3.35Å
38K88Confident86.9Confident123 Ų12343.3 Ų43.354%0.53524%0.238SC..Hα-helixtrans-66.4-37.5-178.9-172.3178-178.8-177.70111.6G35 L36 I40 L41 N42G35-K38 PolarHBondContact O-N 3.11Å; L36-K38 VanDerWaalsContact C-N 3.26Å; L36-K38 PolarHBondContact O-N 3.31Å; K38-I40 VanDerWaalsContact C-N 3.34Å; K38-L41 PolarHBondContact O-N 2.91Å; K38-N42 VanDerWaalsContact O-CB 3.26Å; K38-N42 WeakPolarHBondContact O-CB 3.44Å; K38-N42 PolarHBondContact O-N 3.34Å; K38-N42 PolarHBondContact O-ND2 3.35Å
39V88.4Confident86.6Confident6 Ų642.6 Ų42.64%0.03623%0.228CC..Hα-helixtrans-60.5-47.5172.9173.90000109.9G35 L36 S37 N42 Q43 L88G35-V39 PolarHBondContact O-N 3.4Å; L36-V39 WeakPolarHBondContact O-CB 3.32Å; L36-V39 PolarHBondContact O-N 2.89Å; L36-V39 VanDerWaalsContact O-N 3.14Å; S37-V39 VanDerWaalsContact C-N 3.35Å; S37-V39 PolarHBondContact O-N 2.94Å; V39-N42 PolarHBondContact O-N 3.01Å; V39-Q43 HydrophobicContact CG1-CG 4.39Å; V39-Q43 VanDerWaalsContact O-CG 3.25Å; V39-Q43 WeakPolarHBondContact O-CG 3.48Å; V39-Q43 PolarHBondContact O-N 2.65Å; V39-L88 HydrophobicContact CG2-CB 4.49Å; V39-L88 HydrophobicContact CG2-CD1 3.96Å; V39-L88 HydrophobicContact CG2-CD2 4.14Å; V39-L88 HydrophobicContact CG2-CG 4.42Å
40I86.5Confident86.3Confident14 Ų1443.7 Ų43.77%0.07225%0.245CC..Hα-helixtrans-58.5-53.1178.4-62170.6000110.2F26 L29 L36 S37 K38 N42 Q43 L44 T78F26-I40 HydrophobicContact CE1-CB 4.36Å; F26-I40 HydrophobicContact CE1-CG2 4.24Å; F26-I40 HydrophobicContact CZ-CG2 4.14Å; L29-I40 HydrophobicContact CD1-CD1 3.58Å; L36-I40 HydrophobicContact CG-CD1 4.39Å; L36-I40 WeakPolarHBondContact O-CG1 3.46Å; L36-I40 PolarHBondContact O-N 3.38Å; S37-I40 WeakPolarHBondContact O-CB 3.46Å; S37-I40 PolarHBondContact O-N 2.93Å; K38-I40 VanDerWaalsContact C-N 3.34Å; I40-N42 PolarHBondContact O-N 2.96Å; I40-Q43 PolarHBondContact O-N 3.48Å; I40-L44 HydrophobicContact CG2-CD1 3.81Å; I40-L44 HydrophobicContact CG2-CG 4.4Å; I40-L44 WeakPolarHBondContact O-CB 3.39Å; I40-L44 VanDerWaalsContact O-CG 3.27Å; I40-L44 WeakPolarHBondContact O-CG 3.42Å; I40-L44 PolarHBondContact O-N 2.47Å; I40-T78 HydrophobicContact CG1-CG2 4.43Å; I40-T78 HydrophobicContact CG2-CG2 4.31Å
41L87.5Confident86.1Confident7 Ų746.5 Ų46.54%0.03726%0.258CS..Hα-helixtrans-58.4-45.2-179.8-67.1173000112.2F26 S37 K38 Q43 L44 S45 M46 Y52F26-L41 HydrophobicContact CE1-CD2 4.25Å; F26-L41 HydrophobicContact CE1-CG 4.21Å; F26-L41 HydrophobicContact CZ-CD2 4.48Å; S37-L41 WeakPolarHBondContact O-CG 3.29Å; S37-L41 PolarHBondContact O-N 3.35Å; K38-L41 PolarHBondContact O-N 2.91Å; L41-Q43 PolarHBondContact O-N 2.99Å; L41-L44 CarbonylContact O-C 3.4Å; L41-L44 PolarHBondContact O-N 3.22Å; L41-L44 VanDerWaalsContact O-N 3.17Å; L41-S45 PolarHBondContact O-N 3.1Å; L41-M46 CarbonylContact C-O 3.54Å; L41-M46 HydrophobicContact CB-CB 4.38Å; L41-M46 HydrophobicContact CD2-CB 3.98Å; L41-M46 HydrophobicContact CD2-SD 4.43Å; L41-M46 PolarHBondContact O-N 3.11Å; L41-Y52 HydrophobicContact CD2-CG 4.44Å
42N87.4Confident85.9Confident73 Ų7346 Ų4639%0.3925%0.247SC..Hα-helixtrans-60-43.7177.3-75.7-11000112.2K38 V39 I40 L44 S45K38-N42 VanDerWaalsContact O-CB 3.26Å; K38-N42 WeakPolarHBondContact O-CB 3.44Å; K38-N42 PolarHBondContact O-N 3.34Å; K38-N42 PolarHBondContact O-ND2 3.35Å; V39-N42 PolarHBondContact O-N 3.01Å; I40-N42 PolarHBondContact O-N 2.96Å; N42-L44 VanDerWaalsContact C-N 3.26Å; N42-L44 PolarHBondContact O-N 3.48Å; N42-S45 PolarHBondContact O-N 3.11Å; N42-S45 VanDerWaalsContact O-N 3.08Å
43Q86.8Confident85.5Confident49 Ų4945.5 Ų45.523%0.22924%0.24CC..Hα-helixtrans-67.7-30.7178.8-66.8-58.8-26.400112.1V39 I40 L41 S45 K74 E77 T78V39-Q43 HydrophobicContact CG1-CG 4.39Å; V39-Q43 VanDerWaalsContact O-CG 3.25Å; V39-Q43 WeakPolarHBondContact O-CG 3.48Å; V39-Q43 PolarHBondContact O-N 2.65Å; I40-Q43 PolarHBondContact O-N 3.48Å; L41-Q43 PolarHBondContact O-N 2.99Å; Q43-S45 VanDerWaalsContact C-N 3.25Å; Q43-S45 PolarHBondContact O-N 3.25Å; Q43-K74 VanDerWaalsContact O-CD 3.27Å; Q43-K74 WeakPolarHBondContact O-CD 3.25Å; Q43-E77 HydrophobicContact CG-CB 3.64Å; Q43-T78 HydrophobicContact CB-CG2 3.99Å; Q43-T78 HydrophobicContact CG-CG2 4.49Å
44L83.4Confident85.1Confident23 Ų2346.5 Ų46.512%0.1225%0.249CC..THydrogen-bonded Turntrans-831.8173.7-63.5-177.1000113.2I40 L41 N42 M46 Y52 L63I40-L44 HydrophobicContact CG2-CD1 3.81Å; I40-L44 HydrophobicContact CG2-CG 4.4Å; I40-L44 WeakPolarHBondContact O-CB 3.39Å; I40-L44 VanDerWaalsContact O-CG 3.27Å; I40-L44 WeakPolarHBondContact O-CG 3.42Å; I40-L44 PolarHBondContact O-N 2.47Å; L41-L44 CarbonylContact O-C 3.4Å; L41-L44 PolarHBondContact O-N 3.22Å; L41-L44 VanDerWaalsContact O-N 3.17Å; N42-L44 VanDerWaalsContact C-N 3.26Å; N42-L44 PolarHBondContact O-N 3.48Å; L44-M46 VanDerWaalsContact C-N 3.27Å; L44-M46 HydrophobicContact CB-CE 4.19Å; L44-M46 HydrophobicContact CB-CG 4.12Å; L44-M46 HydrophobicContact CB-SD 3.63Å; L44-M46 HydrophobicContact CD1-SD 4.03Å; L44-M46 PolarHBondContact O-N 3.43Å; L44-Y52 HydrophobicContact CD1-CD2 3.87Å; L44-Y52 HydrophobicContact CD1-CE2 3.84Å; L44-L63 HydrophobicContact CB-CD2 3.73Å; L44-L63 HydrophobicContact CD2-CD1 3.91Å; L44-L63 HydrophobicContact CD2-CD2 3.7Å; L44-L63 HydrophobicContact CD2-CG 4.48Å; L44-L63 HydrophobicContact CG-CD2 4.24Å; L44-L63 WeakPolarHBondContact O-CD2 3.33Å
45S85.9Confident84.5Confident90 Ų9045.6 Ų45.663%0.62925%0.245SC*.THydrogen-bonded Turntrans55.937.5-175.3-57.70000113.5L41 N42 Q43L41-S45 PolarHBondContact O-N 3.1Å; N42-S45 PolarHBondContact O-N 3.11Å; N42-S45 VanDerWaalsContact O-N 3.08Å; Q43-S45 VanDerWaalsContact C-N 3.25Å; Q43-S45 PolarHBondContact O-N 3.25Å
46M85.7Confident83.8Confident18 Ų1846 Ų469%0.08924%0.244CC..  trans-111.3140.7-179.1-67.8163.8175.500110.4L41 L44 E51 Y52 A55 L63L41-M46 CarbonylContact C-O 3.54Å; L41-M46 HydrophobicContact CB-CB 4.38Å; L41-M46 HydrophobicContact CD2-CB 3.98Å; L41-M46 HydrophobicContact CD2-SD 4.43Å; L41-M46 PolarHBondContact O-N 3.11Å; L44-M46 VanDerWaalsContact C-N 3.27Å; L44-M46 HydrophobicContact CB-CE 4.19Å; L44-M46 HydrophobicContact CB-CG 4.12Å; L44-M46 HydrophobicContact CB-SD 3.63Å; L44-M46 HydrophobicContact CD1-SD 4.03Å; L44-M46 PolarHBondContact O-N 3.43Å; M46-E51 HydrophobicContact CB-CB 4.31Å; M46-E51 HydrophobicContact CG-CB 4.44Å; M46-Y52 HydrophobicContact CE-CD2 4.38Å; M46-Y52 WeakPolarHBondContact SD-CA 3.44Å; M46-Y52 HydrophobicContact SD-CD2 3.67Å; M46-Y52 HydrophobicContact SD-CG 4.17Å; M46-A55 HydrophobicContact CE-CB 3.38Å; M46-L63 HydrophobicContact CE-CD2 3.89Å; M46-L63 HydrophobicContact CE-CG 4.35Å
47K83.2Confident83Confident171 Ų17147.1 Ų47.174%0.74325%0.249SC*.SBendtrans-79.2-39.8-179.2-64.1178.7-165.5152.70112.7E51K47-E51 WeakPolarHBondContact CD-OE1 3.31Å; K47-E51 PolarHBondContact N-OE2 2.86Å; K47-E51 IonicContact NZ-OE1 3.48Å; K47-E51 PolarHBondContact NZ-OE1 3.45Å
48D81.6Confident82.1Confident79 Ų7949.8 Ų49.842%0.42228%0.276SS..SBendtrans-152.8177.8-172.660.949.3000111G50 E51 Y52D48-G50 VanDerWaalsContact C-N 3.29Å; D48-G50 PolarHBondContact O-N 3.4Å; D48-G50 VanDerWaalsContact OD1-CA 3.31Å; D48-G50 WeakPolarHBondContact OD1-CA 3.28Å; D48-G50 PolarHBondContact OD1-N 2.88Å; D48-E51 PolarHBondContact O-N 3.25Å; D48-E51 PolarHBondContact OD1-N 3.33Å; D48-Y52 PolarHBondContact O-N 3.19Å
49F77.3Confident81.1Confident40 Ų4050.1 Ų50.118%0.17528%0.278CS..Hα-helixtrans-66.9-28.9-179.8177.2-107.2000113.5D22 Q23 F26 Y52 R53D22-F49 HydrophobicContact CB-CE2 4.05Å; D22-F49 HydrophobicContact CB-CZ 4.13Å; D22-F49 VanDerWaalsContact OD1-CZ 3.31Å; D22-F49 WeakPolarHBondContact OD1-CZ 3.44Å; D22-F49 WeakPolarHBondContact OD2-CZ 3.38Å; Q23-F49 VanDerWaalsContact CA-CZ 3.49Å; Q23-F49 HydrophobicContact CB-CE1 3.87Å; Q23-F49 HydrophobicContact CB-CE2 4.36Å; Q23-F49 HydrophobicContact CB-CZ 3.55Å; Q23-F49 HydrophobicContact CG-CE1 4.07Å; Q23-F49 HydrophobicContact CG-CZ 4.16Å; F26-F49 HydrophobicContact CD2-CD2 4.18Å; F26-F49 HydrophobicContact CD2-CE2 4.06Å; F26-F49 HydrophobicContact CG-CD2 4.4Å; F49-Y52 HydrophobicContact CD2-CD1 4.42Å; F49-Y52 HydrophobicContact CE2-CD1 4.4Å; F49-Y52 PolarHBondContact O-N 3.15Å; F49-R53 VanDerWaalsContact CE1-CZ 3.48Å; F49-R53 VanDerWaalsContact CZ-NH2 3.27Å; F49-R53 WeakPolarHBondContact O-CB 3.35Å; F49-R53 PolarHBondContact O-N 2.96Å
50G80Confident79.8Confident44 Ų4452.8 Ų52.845%0.45429%0.294SS..Hα-helixtrans-64.3-41.8174.700000111.5D48 A54D48-G50 VanDerWaalsContact C-N 3.29Å; D48-G50 PolarHBondContact O-N 3.4Å; D48-G50 VanDerWaalsContact OD1-CA 3.31Å; D48-G50 WeakPolarHBondContact OD1-CA 3.28Å; D48-G50 PolarHBondContact OD1-N 2.88Å; G50-A54 VanDerWaalsContact O-CB 3.26Å; G50-A54 WeakPolarHBondContact O-CB 3.47Å; G50-A54 PolarHBondContact O-N 3.46Å
51E82.5Confident78.4Confident63 Ų6360.5 Ų60.529%0.29433%0.327SS..Hα-helixtrans-65.7-39.6173.2-73.3-171.217700112.4M46 K47 D48 A55M46-E51 HydrophobicContact CB-CB 4.31Å; M46-E51 HydrophobicContact CG-CB 4.44Å; K47-E51 WeakPolarHBondContact CD-OE1 3.31Å; K47-E51 PolarHBondContact N-OE2 2.86Å; K47-E51 IonicContact NZ-OE1 3.48Å; K47-E51 PolarHBondContact NZ-OE1 3.45Å; D48-E51 PolarHBondContact O-N 3.25Å; D48-E51 PolarHBondContact OD1-N 3.33Å; E51-A55 WeakPolarHBondContact O-CB 2.94Å; E51-A55 PolarHBondContact O-N 2.99Å
52Y82.2Confident77Confident48 Ų4862.1 Ų62.119%0.18835%0.345CS..Hα-helixtrans-59.9-52.3174.3175.8-92000111.7F26 L41 L44 M46 D48 F49 A54 A55 V56F26-Y52 AromaticContact CE2-CD1 3.88Å; F26-Y52 HydrophobicContact CE2-CD1 3.88Å; F26-Y52 HydrophobicContact CE2-CD2 4.44Å; F26-Y52 AromaticContact CE2-CE1 3.65Å; F26-Y52 HydrophobicContact CE2-CE1 3.65Å; F26-Y52 HydrophobicContact CE2-CE2 4.24Å; F26-Y52 HydrophobicContact CE2-CG 4.28Å; F26-Y52 AromaticContact CE2-CZ 3.85Å; F26-Y52 HydrophobicContact CZ-CD1 4.23Å; F26-Y52 HydrophobicContact CZ-CD2 4.07Å; F26-Y52 HydrophobicContact CZ-CE1 4.23Å; F26-Y52 HydrophobicContact CZ-CE2 4.05Å; F26-Y52 HydrophobicContact CZ-CG 4.17Å; L41-Y52 HydrophobicContact CD2-CG 4.44Å; L44-Y52 HydrophobicContact CD1-CD2 3.87Å; L44-Y52 HydrophobicContact CD1-CE2 3.84Å; M46-Y52 HydrophobicContact CE-CD2 4.38Å; M46-Y52 WeakPolarHBondContact SD-CA 3.44Å; M46-Y52 HydrophobicContact SD-CD2 3.67Å; M46-Y52 HydrophobicContact SD-CG 4.17Å; D48-Y52 PolarHBondContact O-N 3.19Å; F49-Y52 HydrophobicContact CD2-CD1 4.42Å; F49-Y52 HydrophobicContact CE2-CD1 4.4Å; F49-Y52 PolarHBondContact O-N 3.15Å; Y52-A54 PolarHBondContact O-N 3.28Å; Y52-A55 WeakPolarHBondContact O-CB 3.2Å; Y52-A55 PolarHBondContact O-N 3.46Å; Y52-A55 VanDerWaalsContact O-N 3.12Å; Y52-V56 HydrophobicContact CD1-CG2 4.23Å; Y52-V56 HydrophobicContact CE1-CG2 3.76Å; Y52-V56 HydrophobicContact CE2-CG2 4.26Å; Y52-V56 WeakPolarHBondContact O-CG2 3.39Å; Y52-V56 PolarHBondContact O-N 3.37Å
53R80.1Confident75.8Confident48 Ų4862.4 Ų62.418%0.18135%0.346CS..Hα-helixtrans-59.5-47.3178.4-177.1178.5-70179.4-8.9111.2D22 F49 A55 V56 E57D22-R53 IonicContact OD1-CZ 2.59Å; D22-R53 IonicContact OD1-NE 3.65Å; D22-R53 IonicContact OD1-NH2 3.9Å; D22-R53 PolarHBondContact OD1-NH2 2.84Å; D22-R53 IonicContact OD2-CZ 2.99Å; D22-R53 IonicContact OD2-NE 2.7Å; D22-R53 PolarHBondContact OD2-NE 2.82Å; D22-R53 IonicContact OD2-NH2 3.89Å; D22-R53 PolarHBondContact OD2-NH2 3.32Å; F49-R53 VanDerWaalsContact CE1-CZ 3.48Å; F49-R53 VanDerWaalsContact CZ-NH2 3.27Å; F49-R53 WeakPolarHBondContact O-CB 3.35Å; F49-R53 PolarHBondContact O-N 2.96Å; R53-A55 PolarHBondContact O-N 2.94Å; R53-V56 PolarHBondContact O-N 3.01Å; R53-E57 HydrophobicContact CG-CG 4.33Å; R53-E57 WeakPolarHBondContact O-CB 3.14Å; R53-E57 VanDerWaalsContact O-CG 3.26Å; R53-E57 WeakPolarHBondContact O-CG 3.39Å; R53-E57 PolarHBondContact O-N 3.19Å
54A80.9Confident74.7Confident21 Ų2169.7 Ų69.717%0.17437%0.372CS..Hα-helixtrans-60.9-31.8178.300000112.7G50 Y52 G58 K59 T60G50-A54 VanDerWaalsContact O-CB 3.26Å; G50-A54 WeakPolarHBondContact O-CB 3.47Å; G50-A54 PolarHBondContact O-N 3.46Å; Y52-A54 PolarHBondContact O-N 3.28Å; A54-G58 PolarHBondContact O-N 2.95Å; A54-K59 HydrophobicContact CB-CB 4.43Å; A54-K59 WeakPolarHBondContact O-CB 3.46Å; A54-K59 PolarHBondContact O-N 2.8Å; A54-T60 HydrophobicContact CB-CG2 3.81Å; A54-T60 PolarHBondContact O-N 3.3Å
55A80.2Confident74.1Confident21 Ų2170.9 Ų70.917%0.17438%0.376CS..Hα-helixtrans-72.8-42.8174.700000112.9M46 E51 Y52 R53 E57 G58 T60M46-A55 HydrophobicContact CE-CB 3.38Å; E51-A55 WeakPolarHBondContact O-CB 2.94Å; E51-A55 PolarHBondContact O-N 2.99Å; Y52-A55 WeakPolarHBondContact O-CB 3.2Å; Y52-A55 PolarHBondContact O-N 3.46Å; Y52-A55 VanDerWaalsContact O-N 3.12Å; R53-A55 PolarHBondContact O-N 2.94Å; A55-E57 VanDerWaalsContact C-N 3.25Å; A55-E57 PolarHBondContact O-N 3.47Å; A55-G58 PolarHBondContact O-N 2.92Å; A55-G58 VanDerWaalsContact O-N 3.08Å; A55-T60 WeakPolarHBondContact CA-OG1 3.28Å; A55-T60 WeakPolarHBondContact CB-OG1 3.42Å; A55-T60 PolarHBondContact N-OG1 3.17Å
56V74.4Confident73.5Confident26 Ų2677.3 Ų77.316%0.15839%0.387CS..Hα-helixtrans-61.7-37.4174.3171.70000110.8Y52 R53 G58 H247 M251 V281Y52-V56 HydrophobicContact CD1-CG2 4.23Å; Y52-V56 HydrophobicContact CE1-CG2 3.76Å; Y52-V56 HydrophobicContact CE2-CG2 4.26Å; Y52-V56 WeakPolarHBondContact O-CG2 3.39Å; Y52-V56 PolarHBondContact O-N 3.37Å; R53-V56 PolarHBondContact O-N 3.01Å; V56-G58 PolarHBondContact O-N 3.17Å; V56-H247 HydrophobicContact CG1-CB 3.62Å; V56-M251 HydrophobicContact CG1-CE 3.81Å; V56-V281 HydrophobicContact CG1-CG2 4.09Å; V56-V281 WeakPolarHBondContact O-CG1 3.44Å; V56-V281 WeakPolarHBondContact O-CG2 3.47Å
57E71.9Confident73.3Confident24 Ų2480.9 Ų80.911%0.11241%0.406CS..THydrogen-bonded Turntrans-74.7-3175.7-67.6-176.3154.200114.3R53 A55 K59 K305R53-E57 HydrophobicContact CG-CG 4.33Å; R53-E57 WeakPolarHBondContact O-CB 3.14Å; R53-E57 VanDerWaalsContact O-CG 3.26Å; R53-E57 WeakPolarHBondContact O-CG 3.39Å; R53-E57 PolarHBondContact O-N 3.19Å; A55-E57 VanDerWaalsContact C-N 3.25Å; A55-E57 PolarHBondContact O-N 3.47Å; E57-K59 VanDerWaalsContact C-N 3.26Å; E57-K59 HydrophobicContact CB-CD 4.22Å; E57-K59 HydrophobicContact CB-CG 4.12Å; E57-K59 PolarHBondContact O-N 2.99Å; E57-K59 WeakPolarHBondContact OE2-CD 3.3Å; E57-K59 WeakPolarHBondContact OE2-CE 3.35Å; E57-K59 IonicContact OE2-NZ 2.79Å; E57-K59 PolarHBondContact OE2-NZ 3.35Å; E57-K305 WeakPolarHBondContact OE1-CE 3.35Å; E57-K305 IonicContact OE1-NZ 2.79Å; E57-K305 PolarHBondContact OE1-NZ 3.22Å; E57-K305 IonicContact OE2-NZ 2.9Å
58G69.5Low73.1Confident57 Ų5778.4 Ų78.459%0.58839%0.393SS*.THydrogen-bonded Turntrans73.610.7-178.400000115.1A54 A55 V56A54-G58 PolarHBondContact O-N 2.95Å; A55-G58 PolarHBondContact O-N 2.92Å; A55-G58 VanDerWaalsContact O-N 3.08Å; V56-G58 PolarHBondContact O-N 3.17Å
59K66.9Low73.2Confident130 Ų13080.9 Ų80.957%0.56540%0.4SS*.  trans-84-17.6-177.1-66.4179-178.2162.80114.2A54 E57A54-K59 HydrophobicContact CB-CB 4.43Å; A54-K59 WeakPolarHBondContact O-CB 3.46Å; A54-K59 PolarHBondContact O-N 2.8Å; E57-K59 VanDerWaalsContact C-N 3.26Å; E57-K59 HydrophobicContact CB-CD 4.22Å; E57-K59 HydrophobicContact CB-CG 4.12Å; E57-K59 PolarHBondContact O-N 2.99Å; E57-K59 WeakPolarHBondContact OE2-CD 3.3Å; E57-K59 WeakPolarHBondContact OE2-CE 3.35Å; E57-K59 IonicContact OE2-NZ 2.79Å; E57-K59 PolarHBondContact OE2-NZ 3.35Å
60T62.1Low73.6Confident63 Ų6380.9 Ų80.939%0.38740%0.4SS..SBendtrans-108157.8172.1550000110.5A54 A55 G62A54-T60 HydrophobicContact CB-CG2 3.81Å; A54-T60 PolarHBondContact O-N 3.3Å; A55-T60 WeakPolarHBondContact CA-OG1 3.28Å; A55-T60 WeakPolarHBondContact CB-OG1 3.42Å; A55-T60 PolarHBondContact N-OG1 3.17Å; T60-G62 PolarHBondContact O-N 2.8Å
61K57.1Low73.8Confident176 Ų17679.8 Ų79.877%0.76538%0.384SS*.  trans-58.6107166.5-74.7179.9179.4173.30106.1
62G57Low73.9Confident40 Ų4077.2 Ų77.241%0.41237%0.372SS..  trans-53.4175-17200000114T60 R64T60-G62 PolarHBondContact O-N 2.8Å; G62-R64 PolarHBondContact O-N 3.44Å
63L63.6Low74.1Confident79 Ų7980.4 Ų80.441%0.41439%0.388SS..  trans-43.4110.1-179-67.8162.7000111.9L44 M46 F65L44-L63 HydrophobicContact CB-CD2 3.73Å; L44-L63 HydrophobicContact CD2-CD1 3.91Å; L44-L63 HydrophobicContact CD2-CD2 3.7Å; L44-L63 HydrophobicContact CD2-CG 4.48Å; L44-L63 HydrophobicContact CG-CD2 4.24Å; L44-L63 WeakPolarHBondContact O-CD2 3.33Å; M46-L63 HydrophobicContact CE-CD2 3.89Å; M46-L63 HydrophobicContact CE-CG 4.35Å; L63-F65 HydrophobicContact CB-CD2 4.08Å; L63-F65 HydrophobicContact CB-CE2 3.41Å; L63-F65 VanDerWaalsContact CB-CE2 3.41Å; L63-F65 HydrophobicContact CB-CZ 3.8Å; L63-F65 HydrophobicContact CD1-CE2 4.01Å; L63-F65 HydrophobicContact CD1-CZ 4Å; L63-F65 HydrophobicContact CD2-CZ 4.21Å; L63-F65 HydrophobicContact CG-CE2 4.22Å; L63-F65 HydrophobicContact CG-CZ 4.23Å; L63-F65 PolarHBondContact O-N 3.03Å
64R63.3Low74.4Confident202 Ų20279.9 Ų79.976%0.76239%0.387SS*.  trans-92.193.8177.5-79.4-176.5155.2-159.7-9.8109.6G62G62-R64 PolarHBondContact O-N 3.44Å
65F70.1Confident74.5Confident49 Ų4982.9 Ų82.922%0.21540%0.399CS..  trans-88.4142166.2-53.9-74000109.8L63 N67 M71 K74L63-F65 HydrophobicContact CB-CD2 4.08Å; L63-F65 HydrophobicContact CB-CE2 3.41Å; L63-F65 VanDerWaalsContact CB-CE2 3.41Å; L63-F65 HydrophobicContact CB-CZ 3.8Å; L63-F65 HydrophobicContact CD1-CE2 4.01Å; L63-F65 HydrophobicContact CD1-CZ 4Å; L63-F65 HydrophobicContact CD2-CZ 4.21Å; L63-F65 HydrophobicContact CG-CE2 4.22Å; L63-F65 HydrophobicContact CG-CZ 4.23Å; L63-F65 PolarHBondContact O-N 3.03Å; F65-N67 VanDerWaalsContact C-N 3.3Å; F65-N67 PolarHBondContact O-N 2.85Å; F65-M71 HydrophobicContact CB-CB 3.89Å; F65-M71 HydrophobicContact CD1-CB 3.94Å; F65-M71 HydrophobicContact CD1-CG 4.41Å; F65-M71 HydrophobicContact CD2-CB 3.65Å; F65-M71 HydrophobicContact CD2-CG 3.55Å; F65-M71 HydrophobicContact CD2-SD 4.34Å; F65-M71 HydrophobicContact CE1-CB 4.36Å; F65-M71 HydrophobicContact CE1-CG 4.42Å; F65-M71 HydrophobicContact CE2-CB 4.1Å; F65-M71 HydrophobicContact CE2-CG 3.57Å; F65-M71 HydrophobicContact CG-CB 3.55Å; F65-M71 HydrophobicContact CG-CG 3.98Å; F65-M71 HydrophobicContact CZ-CB 4.43Å; F65-M71 HydrophobicContact CZ-CG 4.02Å; F65-K74 HydrophobicContact CD1-CD 3.82Å; F65-K74 HydrophobicContact CE1-CB 3.93Å; F65-K74 HydrophobicContact CE1-CD 3.63Å; F65-K74 HydrophobicContact CE1-CG 4.4Å
66R74.6Confident74.7Confident224 Ų22483 Ų8385%0.84540%0.396SS*.SBendtrans-68.7-31.1178.2-63.1170.3179.8-174.20.3112E70R66-E70 WeakPolarHBondContact CB-OE2 3.42Å; R66-E70 WeakPolarHBondContact CD-OE2 3.47Å; R66-E70 WeakPolarHBondContact CG-OE2 3.35Å; R66-E70 PolarHBondContact N-OE2 2.96Å
67N79.7Confident75.4Confident93 Ų9383.4 Ų83.450%0.49740%0.396SS..SBendtrans-163172.517755.957.2000110.3F65 K69 E70 M71F65-N67 VanDerWaalsContact C-N 3.3Å; F65-N67 PolarHBondContact O-N 2.85Å; N67-K69 VanDerWaalsContact C-N 3.29Å; N67-K69 PolarHBondContact O-N 2.97Å; N67-K69 WeakPolarHBondContact OD1-CB 3.44Å; N67-K69 PolarHBondContact OD1-N 3.33Å; N67-K69 VanDerWaalsContact OD1-N 3.12Å; N67-E70 PolarHBondContact O-N 3.4Å; N67-E70 PolarHBondContact OD1-N 3.01Å; N67-M71 PolarHBondContact O-N 3.14Å
68Y79.4Confident76.1Confident119 Ų11982.9 Ų82.947%0.46739%0.394SS..Hα-helixtrans-61.1-33.9179.8-63.7-44.2000113.8E70 M71 F72 W140Y68-E70 PolarHBondContact O-N 2.82Å; Y68-M71 HydrophobicContact CD1-CE 4.29Å; Y68-M71 HydrophobicContact CD1-SD 4.46Å; Y68-M71 WeakPolarHBondContact O-CB 3.38Å; Y68-M71 PolarHBondContact O-N 2.91Å; Y68-F72 WeakPolarHBondContact O-CD2 3.34Å; Y68-F72 PolarHBondContact O-N 2.95Å; Y68-W140 HydrophobicContact CD1-CZ2 4.08Å; Y68-W140 AromaticContact CE1-CZ2 3.89Å; Y68-W140 HydrophobicContact CE1-CZ2 3.89Å; Y68-W140 HydrophobicContact CE2-CZ2 4.37Å; Y68-W140 HydrophobicContact CG-CZ2 4.41Å
69K85.1Confident77Confident132 Ų13282 Ų8257%0.57437%0.374SS*.Hα-helixtrans-61.6-43.8177.4-175-179178.7-179.90111.6N67 Q73 N193N67-K69 VanDerWaalsContact C-N 3.29Å; N67-K69 PolarHBondContact O-N 2.97Å; N67-K69 WeakPolarHBondContact OD1-CB 3.44Å; N67-K69 PolarHBondContact OD1-N 3.33Å; N67-K69 VanDerWaalsContact OD1-N 3.12Å; K69-Q73 WeakPolarHBondContact O-CB 3.42Å; K69-Q73 PolarHBondContact O-N 2.77Å; K69-Q73 VanDerWaalsContact O-N 3.09Å; K69-N193 HydrophobicContact CB-CB 4.43Å
70E85.7Confident78.1Confident39 Ų3977.8 Ų77.818%0.18236%0.356CS..Hα-helixtrans-64.2-42.8175.4-171.6-168.5167.400111.6R66 N67 Y68 Q73 K74R66-E70 WeakPolarHBondContact CB-OE2 3.42Å; R66-E70 WeakPolarHBondContact CD-OE2 3.47Å; R66-E70 WeakPolarHBondContact CG-OE2 3.35Å; R66-E70 PolarHBondContact N-OE2 2.96Å; N67-E70 PolarHBondContact O-N 3.4Å; N67-E70 PolarHBondContact OD1-N 3.01Å; Y68-E70 PolarHBondContact O-N 2.82Å; E70-Q73 PolarHBondContact O-N 2.6Å; E70-K74 HydrophobicContact CG-CD 4.09Å; E70-K74 WeakPolarHBondContact O-CB 3.39Å; E70-K74 PolarHBondContact O-N 3.13Å; E70-K74 WeakPolarHBondContact OE1-CE 3.26Å; E70-K74 IonicContact OE1-NZ 3.86Å; E70-K74 PolarHBondContact OE1-NZ 3.05Å
71M83.4Confident79.7Confident22 Ų2275.1 Ų75.111%0.10834%0.339CS..Hα-helixtrans-57.4-55.5177.7179.2-166.97900111.7F65 N67 Y68 Q73 K74 M75 W140F65-M71 HydrophobicContact CB-CB 3.89Å; F65-M71 HydrophobicContact CD1-CB 3.94Å; F65-M71 HydrophobicContact CD1-CG 4.41Å; F65-M71 HydrophobicContact CD2-CB 3.65Å; F65-M71 HydrophobicContact CD2-CG 3.55Å; F65-M71 HydrophobicContact CD2-SD 4.34Å; F65-M71 HydrophobicContact CE1-CB 4.36Å; F65-M71 HydrophobicContact CE1-CG 4.42Å; F65-M71 HydrophobicContact CE2-CB 4.1Å; F65-M71 HydrophobicContact CE2-CG 3.57Å; F65-M71 HydrophobicContact CG-CB 3.55Å; F65-M71 HydrophobicContact CG-CG 3.98Å; F65-M71 HydrophobicContact CZ-CB 4.43Å; F65-M71 HydrophobicContact CZ-CG 4.02Å; N67-M71 PolarHBondContact O-N 3.14Å; Y68-M71 HydrophobicContact CD1-CE 4.29Å; Y68-M71 HydrophobicContact CD1-SD 4.46Å; Y68-M71 WeakPolarHBondContact O-CB 3.38Å; Y68-M71 PolarHBondContact O-N 2.91Å; M71-Q73 VanDerWaalsContact C-N 3.28Å; M71-Q73 PolarHBondContact O-N 2.62Å; M71-K74 PolarHBondContact O-N 2.91Å; M71-M75 HydrophobicContact CG-SD 4.11Å; M71-M75 WeakPolarHBondContact O-CB 3.42Å; M71-M75 WeakPolarHBondContact O-CG 3.32Å; M71-M75 PolarHBondContact O-N 3.15Å; M71-W140 HydrophobicContact CE-CG 4.43Å
72F83.6Confident81.5Confident9 Ų966.8 Ų66.84%0.03930%0.303CS..Hα-helixtrans-61.8-37.6179.8-71-61.4000112.2Y68 E76 L137 W140 L190 N193Y68-F72 WeakPolarHBondContact O-CD2 3.34Å; Y68-F72 PolarHBondContact O-N 2.95Å; F72-E76 WeakPolarHBondContact O-CB 3.17Å; F72-E76 PolarHBondContact O-N 2.94Å; F72-L137 HydrophobicContact CD1-CD2 3.9Å; F72-L137 HydrophobicContact CE1-CD2 4.32Å; F72-W140 HydrophobicContact CE1-CB 4.05Å; F72-W140 HydrophobicContact CE1-CD2 4.25Å; F72-W140 AromaticContact CE1-CG 3.9Å; F72-W140 HydrophobicContact CE1-CG 3.9Å; F72-W140 HydrophobicContact CZ-CB 4.27Å; F72-W140 AromaticContact CZ-CD2 3.58Å; F72-W140 HydrophobicContact CZ-CD2 3.58Å; F72-W140 AromaticContact CZ-CE2 3.87Å; F72-W140 AromaticContact CZ-CE3 3.95Å; F72-W140 HydrophobicContact CZ-CE3 3.95Å; F72-W140 AromaticContact CZ-CG 3.71Å; F72-W140 HydrophobicContact CZ-CG 3.71Å; F72-W140 HydrophobicContact CZ-CZ2 4.42Å; F72-W140 HydrophobicContact CZ-CZ3 4.49Å; F72-L190 HydrophobicContact CD1-CD1 4.43Å; F72-L190 HydrophobicContact CE1-CD1 3.48Å; F72-L190 VanDerWaalsContact CE1-CD1 3.48Å; F72-L190 HydrophobicContact CE2-CD1 4.25Å; F72-L190 HydrophobicContact CZ-CD1 3.38Å; F72-N193 HydrophobicContact CD2-CB 3.73Å; F72-N193 HydrophobicContact CE2-CB 4.01Å
73Q86.3Confident83.4Confident114 Ų11465.3 Ų65.353%0.53329%0.287SS..Hα-helixtrans-61.2-52.1175.2-176.4178.8-3.800111K69 E70 M71 M75 E76 E77K69-Q73 WeakPolarHBondContact O-CB 3.42Å; K69-Q73 PolarHBondContact O-N 2.77Å; K69-Q73 VanDerWaalsContact O-N 3.09Å; E70-Q73 PolarHBondContact O-N 2.6Å; M71-Q73 VanDerWaalsContact C-N 3.28Å; M71-Q73 PolarHBondContact O-N 2.62Å; Q73-M75 PolarHBondContact O-N 3.04Å; Q73-E76 WeakPolarHBondContact O-CB 3.19Å; Q73-E76 PolarHBondContact O-N 3.25Å; Q73-E76 VanDerWaalsContact O-N 3.08Å; Q73-E77 WeakPolarHBondContact O-CG 3.49Å; Q73-E77 PolarHBondContact O-N 3.41Å
74K86.4Confident84.9Confident37 Ų3762.9 Ų62.916%0.16128%0.277CS..Hα-helixtrans-62.2-41.7-179.9-79.4177.4159.3176.50112.4Q43 F65 E70 M71 E76 E77 T78Q43-K74 VanDerWaalsContact O-CD 3.27Å; Q43-K74 WeakPolarHBondContact O-CD 3.25Å; F65-K74 HydrophobicContact CD1-CD 3.82Å; F65-K74 HydrophobicContact CE1-CB 3.93Å; F65-K74 HydrophobicContact CE1-CD 3.63Å; F65-K74 HydrophobicContact CE1-CG 4.4Å; E70-K74 HydrophobicContact CG-CD 4.09Å; E70-K74 WeakPolarHBondContact O-CB 3.39Å; E70-K74 PolarHBondContact O-N 3.13Å; E70-K74 WeakPolarHBondContact OE1-CE 3.26Å; E70-K74 IonicContact OE1-NZ 3.86Å; E70-K74 PolarHBondContact OE1-NZ 3.05Å; M71-K74 PolarHBondContact O-N 2.91Å; K74-E76 VanDerWaalsContact C-N 3.26Å; K74-E76 PolarHBondContact O-N 3.2Å; K74-E77 PolarHBondContact O-N 3.34Å; K74-T78 WeakPolarHBondContact O-CG2 3.49Å; K74-T78 PolarHBondContact O-N 2.66Å
75M83.8Confident86.4Confident85 Ų8556.3 Ų56.342%0.41926%0.261SS..Hα-helixtrans-62.4-33.1173.6-70.2-175.583.400112.2M71 Q73 T78 F79M71-M75 HydrophobicContact CG-SD 4.11Å; M71-M75 WeakPolarHBondContact O-CB 3.42Å; M71-M75 WeakPolarHBondContact O-CG 3.32Å; M71-M75 PolarHBondContact O-N 3.15Å; Q73-M75 PolarHBondContact O-N 3.04Å; M75-T78 PolarHBondContact O-OG1 2.78Å; M75-F79 WeakPolarHBondContact O-CD2 3.39Å; M75-F79 WeakPolarHBondContact O-CE2 3.3Å
76E85.8Confident87.6Confident22 Ų2256.6 Ų56.610%0.10326%0.264CS..Hα-helixtrans-71.2-39174-174.967.1-14200112.1F72 Q73 K74 T78 F79 Y108 R196F72-E76 WeakPolarHBondContact O-CB 3.17Å; F72-E76 PolarHBondContact O-N 2.94Å; Q73-E76 WeakPolarHBondContact O-CB 3.19Å; Q73-E76 PolarHBondContact O-N 3.25Å; Q73-E76 VanDerWaalsContact O-N 3.08Å; K74-E76 VanDerWaalsContact C-N 3.26Å; K74-E76 PolarHBondContact O-N 3.2Å; E76-T78 PolarHBondContact O-N 2.81Å; E76-F79 PolarHBondContact O-N 3.06Å; E76-F79 VanDerWaalsContact O-N 3.16Å; E76-Y108 VanDerWaalsContact CD-OH 3.24Å; E76-Y108 WeakPolarHBondContact CG-OH 3.48Å; E76-Y108 PolarHBondContact OE1-OH 3.45Å; E76-R196 IonicContact OE1-NH2 2.72Å; E76-R196 PolarHBondContact OE1-NH2 3.49Å; E76-R196 IonicContact OE2-CZ 3.17Å; E76-R196 IonicContact OE2-NE 2.82Å; E76-R196 PolarHBondContact OE2-NE 3.3Å; E76-R196 IonicContact OE2-NH2 2.7Å; E76-R196 PolarHBondContact OE2-NH2 3.07Å
77E88.4Confident88.5Confident35 Ų3549.4 Ų49.416%0.16424%0.239CC..Hα-helixtrans-60.7-28.8179.6-63.9-52.1145.300112.6Q43 Q73 K74 F79 K80Q43-E77 HydrophobicContact CG-CB 3.64Å; Q73-E77 WeakPolarHBondContact O-CG 3.49Å; Q73-E77 PolarHBondContact O-N 3.41Å; K74-E77 PolarHBondContact O-N 3.34Å; E77-F79 PolarHBondContact O-N 3.33Å; E77-K80 PolarHBondContact O-N 3.36Å; E77-K80 VanDerWaalsContact O-N 3.12Å; E77-K80 WeakPolarHBondContact OE1-CE 3.26Å; E77-K80 IonicContact OE1-NZ 2.71Å; E77-K80 PolarHBondContact OE1-NZ 3.33Å; E77-K80 WeakPolarHBondContact OE2-CD 3.26Å; E77-K80 WeakPolarHBondContact OE2-CE 3.4Å; E77-K80 IonicContact OE2-NZ 2.67Å; E77-K80 PolarHBondContact OE2-NZ 3.21Å
78T87.1Confident89.2Confident13 Ų1345.1 Ų45.18%0.0822%0.217CC..THydrogen-bonded Turntrans-62.9-21.6178.265.50000113.2I40 Q43 K74 M75 E76 Q399I40-T78 HydrophobicContact CG1-CG2 4.43Å; I40-T78 HydrophobicContact CG2-CG2 4.31Å; Q43-T78 HydrophobicContact CB-CG2 3.99Å; Q43-T78 HydrophobicContact CG-CG2 4.49Å; K74-T78 WeakPolarHBondContact O-CG2 3.49Å; K74-T78 PolarHBondContact O-N 2.66Å; M75-T78 PolarHBondContact O-OG1 2.78Å; E76-T78 PolarHBondContact O-N 2.81Å; T78-Q399 PolarHBondContact O-NE2 2.85Å
79F87.3Confident89.8Confident39 Ų3941.6 Ų41.617%0.17121%0.208CC..THydrogen-bonded Turntrans-96.70.3179.1-62.6-85.9000113.6M75 E76 E77 F81 R136 Q399M75-F79 WeakPolarHBondContact O-CD2 3.39Å; M75-F79 WeakPolarHBondContact O-CE2 3.3Å; E76-F79 PolarHBondContact O-N 3.06Å; E76-F79 VanDerWaalsContact O-N 3.16Å; E77-F79 PolarHBondContact O-N 3.33Å; F79-F81 PolarHBondContact O-N 2.79Å; F79-R136 VanDerWaalsContact CD1-CZ 3.43Å; F79-R136 VanDerWaalsContact CD1-NH1 3.33Å; F79-R136 VanDerWaalsContact CD2-NH1 3.29Å; F79-R136 VanDerWaalsContact CZ-CZ 3.48Å; F79-R136 VanDerWaalsContact CZ-NE 3.33Å; F79-Q399 HydrophobicContact CD1-CB 4.48Å; F79-Q399 HydrophobicContact CD1-CG 3.75Å; F79-Q399 HydrophobicContact CE1-CB 4.35Å; F79-Q399 HydrophobicContact CE1-CG 3.96Å
80K90.6Very high90Very high41 Ų4141.6 Ų41.618%0.17821%0.21CC..  trans-86.2103.8-172.3-71.2-158.4-160.5160.30112.7E77 P89 L98 Y108E77-K80 PolarHBondContact O-N 3.36Å; E77-K80 VanDerWaalsContact O-N 3.12Å; E77-K80 WeakPolarHBondContact OE1-CE 3.26Å; E77-K80 IonicContact OE1-NZ 2.71Å; E77-K80 PolarHBondContact OE1-NZ 3.33Å; E77-K80 WeakPolarHBondContact OE2-CD 3.26Å; E77-K80 WeakPolarHBondContact OE2-CE 3.4Å; E77-K80 IonicContact OE2-NZ 2.67Å; E77-K80 PolarHBondContact OE2-NZ 3.21Å; K80-P89 HydrophobicContact CB-CG 4.04Å; K80-P89 WeakPolarHBondContact O-CD 3.16Å; K80-L98 HydrophobicContact CB-CD1 4Å; K80-Y108 HydrophobicContact CD-CD1 4.25Å; K80-Y108 HydrophobicContact CD-CE1 3.74Å; K80-Y108 HydrophobicContact CG-CD1 4.14Å; K80-Y108 HydrophobicContact CG-CD2 4.18Å; K80-Y108 HydrophobicContact CG-CE1 3.75Å; K80-Y108 HydrophobicContact CG-CE2 3.83Å; K80-Y108 HydrophobicContact CG-CG 4.32Å
81F94.8Very high90.2Very high8 Ų845.6 Ų45.64%0.03522%0.224CC..SBendtrans-152.2159.1163.664.1-86.1000109.5V33 L36 F79 A83 K87 L88 Y108 Q399 P402V33-F81 HydrophobicContact CG1-CB 4.09Å; V33-F81 HydrophobicContact CG1-CD1 4.43Å; V33-F81 HydrophobicContact CG1-CD2 3.95Å; V33-F81 HydrophobicContact CG1-CG 3.9Å; V33-F81 HydrophobicContact CG2-CD2 3.97Å; V33-F81 HydrophobicContact CG2-CE2 3.72Å; V33-F81 HydrophobicContact CG2-CG 4.46Å; V33-F81 HydrophobicContact CG2-CZ 4.01Å; L36-F81 HydrophobicContact CD1-CD1 4.06Å; L36-F81 HydrophobicContact CD2-CD1 4.19Å; L36-F81 HydrophobicContact CD2-CE1 4.11Å; F79-F81 PolarHBondContact O-N 2.79Å; F81-A83 PolarHBondContact O-N 3.42Å; F81-K87 WeakPolarHBondContact CA-O 3.2Å; F81-L88 HydrophobicContact CB-CD2 3.78Å; F81-Y108 VanDerWaalsContact O-CB 3.31Å; F81-Y108 WeakPolarHBondContact O-CB 3.44Å; F81-Q399 WeakPolarHBondContact CE1-O 3.18Å; F81-Q399 WeakPolarHBondContact CZ-O 3.44Å; F81-P402 HydrophobicContact CE2-CG 4.17Å; F81-P402 HydrophobicContact CZ-CG 3.98Å
82C95.9Very high90.6Very high0 Ų045.9 Ų45.90%023%0.225CC..BIsolated β-bridgetrans-69.5115.3176.3-176.60000110.7S84 C85 N86 K87 L98 Y108 C110C82-S84 PolarHBondContact O-N 3.03Å; C82-C85 VanDerWaalsContact CB-SG 3.57Å; C82-C85 PolarHBondContact O-N 3.21Å; C82-C85 PolarHBondContact SG-SG 2.84Å; C82-N86 VanDerWaalsContact O-CA 3.26Å; C82-N86 WeakPolarHBondContact O-CA 3.39Å; C82-N86 PolarHBondContact O-N 3.21Å; C82-K87 HydrophobicContact CB-CB 4.16Å; C82-K87 PolarHBondContact N-O 2.88Å; C82-L98 HydrophobicContact CB-CD2 4.06Å; C82-Y108 CarbonylContact C-O 3.56Å; C82-Y108 WeakPolarHBondContact CA-O 3.29Å; C82-C110 HydrophobicContact CB-CB 4.33Å; C82-C110 PolarHBondContact SG-N 3Å; C82-C110 VanDerWaalsContact SG-SG 3.69Å
83A95.9Very high90.9Very high10 Ų1049.3 Ų49.38%0.08325%0.248CC..THydrogen-bonded Turntrans-62.5-16.7-179.900000114.1F81 V107 Y108 Y109 P402F81-A83 PolarHBondContact O-N 3.42Å; A83-V107 HydrophobicContact CB-CB 4.21Å; A83-Y108 PolarHBondContact N-O 3.32Å; A83-Y109 HydrophobicContact CB-CD1 4.42Å; A83-Y109 HydrophobicContact CB-CE1 3.83Å; A83-P402 HydrophobicContact CB-CG 3.8Å
84S96.1Very high90.9Very high28 Ų2853.5 Ų53.520%0.19627%0.267CS..THydrogen-bonded Turntrans-93.5-32.6178.6-175.40000114.5C82 C114C82-S84 PolarHBondContact O-N 3.03Å; S84-C114 WeakPolarHBondContact CB-O 3.45Å; S84-C114 PolarHBondContact OG-O 3.14Å
85C94.6Very high90.7Very high63 Ų6355.7 Ų55.743%0.42630%0.3SS..THydrogen-bonded Turntrans-134.47.4-170.671.20000113.9C82 K87C82-C85 VanDerWaalsContact CB-SG 3.57Å; C82-C85 PolarHBondContact O-N 3.21Å; C82-C85 PolarHBondContact SG-SG 2.84Å; C85-K87 PolarHBondContact O-N 3.28Å
86N94.9Very high91Very high55 Ų5555.6 Ų55.629%0.29430%0.298SS..  trans58.417176.5-58.9-14.4000114.5N32 V33 C82 L88N32-N86 PolarHBondContact O-ND2 2.78Å; V33-N86 HydrophobicContact CG1-CB 4.1Å; V33-N86 HydrophobicContact CG2-CB 4.44Å; C82-N86 VanDerWaalsContact O-CA 3.26Å; C82-N86 WeakPolarHBondContact O-CA 3.39Å; C82-N86 PolarHBondContact O-N 3.21Å; N86-L88 PolarHBondContact O-N 3.16Å
87K94.6Very high91.4Very high73 Ų7359.1 Ų59.132%0.31732%0.322SS..  trans-69.1122.2178.4-171.9178-72.5-163.90110.4F81 C82 C85 R91 L92F81-K87 WeakPolarHBondContact CA-O 3.2Å; C82-K87 HydrophobicContact CB-CB 4.16Å; C82-K87 PolarHBondContact N-O 2.88Å; C85-K87 PolarHBondContact O-N 3.28Å; K87-R91 WeakPolarHBondContact CD-O 3.41Å; K87-R91 HydrophobicContact CG-CB 3.94Å; K87-L92 HydrophobicContact CD-CD2 3.71Å; K87-L92 HydrophobicContact CG-CD2 4.23Å
88L94.3Very high91.7Very high4 Ų458.6 Ų58.62%0.02132%0.32CS..  trans-79.3158.6175.5-59.4175.9000111.5V33 P34 G35 L36 V39 F81 N86 E90 R91V33-L88 HydrophobicContact CG1-CD2 3.9Å; P34-L88 WeakPolarHBondContact O-CD1 3.44Å; G35-L88 WeakPolarHBondContact O-CD1 3.44Å; L36-L88 HydrophobicContact CD1-CD2 4.29Å; V39-L88 HydrophobicContact CG2-CB 4.49Å; V39-L88 HydrophobicContact CG2-CD1 3.96Å; V39-L88 HydrophobicContact CG2-CD2 4.14Å; V39-L88 HydrophobicContact CG2-CG 4.42Å; F81-L88 HydrophobicContact CB-CD2 3.78Å; N86-L88 PolarHBondContact O-N 3.16Å; L88-E90 VanDerWaalsContact C-N 3.3Å; L88-E90 PolarHBondContact O-N 2.82Å; L88-R91 PolarHBondContact O-N 3.01Å
89P91.4Very high92Very high45 Ų4564.6 Ų64.629%0.29235%0.345SS..G310 helixtrans-54.4-41.9179.6-27.535.2000113.7K80 R91 L92 L98K80-P89 HydrophobicContact CB-CG 4.04Å; K80-P89 WeakPolarHBondContact O-CD 3.16Å; P89-R91 PolarHBondContact O-N 3.26Å; P89-R91 VanDerWaalsContact O-N 3.13Å; P89-L92 WeakPolarHBondContact O-CB 3.41Å; P89-L92 WeakPolarHBondContact O-CG 3.36Å; P89-L92 PolarHBondContact O-N 3.2Å; P89-L92 VanDerWaalsContact O-N 3.17Å; P89-L98 HydrophobicContact CG-CD1 4.07Å
90E89.1Confident92.4Very high131 Ų13166.9 Ų66.961%0.61235%0.353SS*.G310 helixtrans-64.4-16.1179.3-61.5177.3-172.700113.6L88L88-E90 VanDerWaalsContact C-N 3.3Å; L88-E90 PolarHBondContact O-N 2.82Å
91R91.3Very high92.7Very high123 Ų12365 Ų6546%0.46434%0.344SS..G310 helixtrans-102.68.1-179.2-59.2-178.1-175.3151.66.4112.9P34 K87 L88 P89P34-R91 VanDerWaalsContact O-CZ 3.3Å; P34-R91 PolarHBondContact O-NH1 2.77Å; P34-R91 PolarHBondContact O-NH2 2.85Å; K87-R91 WeakPolarHBondContact CD-O 3.41Å; K87-R91 HydrophobicContact CG-CB 3.94Å; L88-R91 PolarHBondContact O-N 3.01Å; P89-R91 PolarHBondContact O-N 3.26Å; P89-R91 VanDerWaalsContact O-N 3.13Å
92L90.5Very high92.7Very high28 Ų2870.4 Ų70.415%0.14738%0.378CS..SBendtrans-77.6153.4172.9-63174.7000110.3K87 P89 Q96 L98 C110K87-L92 HydrophobicContact CD-CD2 3.71Å; K87-L92 HydrophobicContact CG-CD2 4.23Å; P89-L92 WeakPolarHBondContact O-CB 3.41Å; P89-L92 WeakPolarHBondContact O-CG 3.36Å; P89-L92 PolarHBondContact O-N 3.2Å; P89-L92 VanDerWaalsContact O-N 3.17Å; L92-Q96 HydrophobicContact CB-CB 4.09Å; L92-Q96 WeakPolarHBondContact CD1-O 3.5Å; L92-L98 HydrophobicContact CD1-CG 4.13Å; L92-L98 HydrophobicContact CD2-CD2 4.27Å; L92-C110 HydrophobicContact CD2-CB 3.67Å
93T89.7Confident92.6Very high82 Ų8276.7 Ų76.750%0.50341%0.405SS..PPolyproline II helixtrans-70.1156.6171.762.60000109.9G95 Q96T93-G95 PolarHBondContact O-N 2.95Å; T93-Q96 WeakPolarHBondContact O-CB 3.4Å; T93-Q96 PolarHBondContact O-N 3.29Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.12Å; T93-Q96 PolarHBondContact OG1-NE2 3.05Å; T93-Q96 PolarHBondContact OG1-OE1 3.1Å
94E86.7Confident92.6Very high201 Ų20176.2 Ų76.294%0.93940%0.401SS*.THydrogen-bonded Turntrans-51.1132.1178-165.1173.1-175.800111.5Q96E94-Q96 VanDerWaalsContact C-N 3.29Å; E94-Q96 PolarHBondContact O-N 3Å
95G82.6Confident92.5Very high83 Ų8378 Ų7886%0.85641%0.408SS*.THydrogen-bonded Turntrans78.4-7.3-176.300000116.5T93T93-G95 PolarHBondContact O-N 2.95Å
96Q90.1Very high92.5Very high83 Ų8375.1 Ų75.139%0.38839%0.389SS..  trans-84.9142.8173.3-74.7-175-3.700112.2L92 T93 E94L92-Q96 HydrophobicContact CB-CB 4.09Å; L92-Q96 WeakPolarHBondContact CD1-O 3.5Å; T93-Q96 WeakPolarHBondContact O-CB 3.4Å; T93-Q96 PolarHBondContact O-N 3.29Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.12Å; T93-Q96 PolarHBondContact OG1-NE2 3.05Å; T93-Q96 PolarHBondContact OG1-OE1 3.1Å; E94-Q96 VanDerWaalsContact C-N 3.29Å; E94-Q96 PolarHBondContact O-N 3Å
97T92.8Very high92.5Very high97 Ų9772.8 Ų72.860%0.59538%0.376SS*.  trans-132.3150.7173.558.10000110.8
98L95.3Very high92.6Very high23 Ų2369.6 Ų69.612%0.1236%0.362CS..  trans-68.4133.7172.3-70.2176.1000110.4K80 C82 P89 L92 Y108 C110K80-L98 HydrophobicContact CB-CD1 4Å; C82-L98 HydrophobicContact CB-CD2 4.06Å; P89-L98 HydrophobicContact CG-CD1 4.07Å; L92-L98 HydrophobicContact CD1-CG 4.13Å; L92-L98 HydrophobicContact CD2-CD2 4.27Å; L98-Y108 HydrophobicContact CB-CD1 3.98Å; L98-Y108 HydrophobicContact CB-CG 4.47Å; L98-C110 HydrophobicContact CD2-CB 3.77Å
99K94.6Very high92.8Very high139 Ų13969.5 Ų69.560%0.60436%0.362SS*.EExtended strand (participates in β ladder)trans-105.9136.1177.5-62.4-175.8-178.1-177.70110.2Y108 Y109K99-Y108 CarbonylContact O-C 3.51Å; K99-Y108 WeakPolarHBondContact O-CA 3.25Å; K99-Y109 PolarHBondContact N-O 2.83Å; K99-Y109 PolarHBondContact O-N 2.77Å
100R94.3Very high93Very high88 Ų8868 Ų6833%0.33235%0.352SS..EExtended strand (participates in β ladder)trans-73.1152176.6-71.8-179-78.8-165.60.4111.6V102 V107 Y108R100-V102 PolarHBondContact O-N 2.89Å; R100-V107 CarbonylContact C-O 3.49Å; R100-V107 VanDerWaalsContact CA-O 3.31Å; R100-V107 WeakPolarHBondContact CA-O 3.41Å; R100-Y108 HydrophobicContact CB-CE1 4.48Å; R100-Y108 HydrophobicContact CG-CD1 3.53Å; R100-Y108 HydrophobicContact CG-CE1 3.13Å; R100-Y108 HydrophobicContact CG-CE2 4.2Å; R100-Y108 HydrophobicContact CG-CG 4.23Å; R100-Y108 VanDerWaalsContact CG-CZ 3.5Å
101C96.5Very high93.3Very high1 Ų164.4 Ų64.41%0.00734%0.339CS..  trans-60.8119.2157.9-178.10000109.1K103 C104 L105 V107 Y109 H122C101-K103 PolarHBondContact O-N 3.44Å; C101-K103 VanDerWaalsContact O-N 3.15Å; C101-C104 VanDerWaalsContact CB-SG 3.59Å; C101-L105 WeakPolarHBondContact O-CA 3.22Å; C101-L105 PolarHBondContact O-N 3.39Å; C101-V107 HydrophobicContact CB-CG2 3.76Å; C101-V107 PolarHBondContact N-O 3.44Å; C101-Y109 HydrophobicContact CB-CE2 4.15Å; C101-H122 PolarHBondContact SG-NE2 2.84Å
102V94.9Very high93.5Very high122 Ų12266 Ų6674%0.73935%0.349SS*.THydrogen-bonded Turntrans-66.7-14.7-177.8-61.90000113.8R100R100-V102 PolarHBondContact O-N 2.89Å
103K95.3Very high93.9Very high131 Ų13169.8 Ų69.857%0.5737%0.37SS*.THydrogen-bonded Turntrans-87.8-49-179.2-67.1-172.7175.5-173.50112.8C101 W119C101-K103 PolarHBondContact O-N 3.44Å; C101-K103 VanDerWaalsContact O-N 3.15Å; K103-W119 HydrophobicContact CD-CH2 4.16Å
104C95.7Very high94.2Very high0 Ų066.8 Ų66.80%035%0.352CS..THydrogen-bonded Turntrans-100.5-20.3-175.970.70000113.9C101 N106 H122 C126 L129 R130 A133C101-C104 VanDerWaalsContact CB-SG 3.59Å; C104-N106 HydrophobicContact CB-CB 4.43Å; C104-N106 PolarHBondContact O-N 3.26Å; C104-N106 PolarHBondContact SG-N 3.15Å; C104-H122 VanDerWaalsContact SG-CE1 3.58Å; C104-C126 WeakPolarHBondContact CB-O 3.36Å; C104-L129 HydrophobicContact CB-CB 4.1Å; C104-R130 HydrophobicContact CB-CB 4.32Å; C104-A133 WeakPolarHBondContact O-CB 3.48Å
105L93.9Very high94.8Very high65 Ų6560 Ų6034%0.3432%0.32SS..SBendtrans56.417.1-176.8-50.7177.4000114.4C101 R196C101-L105 WeakPolarHBondContact O-CA 3.22Å; C101-L105 PolarHBondContact O-N 3.39Å; L105-R196 PolarHBondContact O-NH1 3.29Å; L105-R196 PolarHBondContact O-NH2 3.32Å
106N93.9Very high95.5Very high4 Ų463.1 Ų63.12%0.02131%0.31CS..SBendtrans-106.7-41.1-174.6-166.642.4000113.4C104 L129 A133 R136 Q397C104-N106 HydrophobicContact CB-CB 4.43Å; C104-N106 PolarHBondContact O-N 3.26Å; C104-N106 PolarHBondContact SG-N 3.15Å; N106-L129 HydrophobicContact CB-CB 4.03Å; N106-L129 WeakPolarHBondContact CB-O 3.19Å; N106-A133 HydrophobicContact CB-CB 3.89Å; N106-R136 PolarHBondContact OD1-NH2 2.93Å; N106-Q397 PolarHBondContact ND2-NE2 3.44Å; N106-Q397 PolarHBondContact ND2-OE1 2.82Å
107V95.7Very high95.9Very high5 Ų566.6 Ų66.63%0.0332%0.324CS..  trans-103.6156.6-177.4-54.50000112.2A83 R100 C101 Y109 H122 L129 P402A83-V107 HydrophobicContact CB-CB 4.21Å; R100-V107 CarbonylContact C-O 3.49Å; R100-V107 VanDerWaalsContact CA-O 3.31Å; R100-V107 WeakPolarHBondContact CA-O 3.41Å; C101-V107 HydrophobicContact CB-CG2 3.76Å; C101-V107 PolarHBondContact N-O 3.44Å; V107-Y109 HydrophobicContact CG2-CE2 3.77Å; V107-H122 WeakPolarHBondContact CG2-CE1 3.21Å; V107-L129 HydrophobicContact CG1-CD1 3.77Å; V107-P402 HydrophobicContact CG1-CB 3.73Å; V107-P402 HydrophobicContact CG1-CG 4.45Å
108Y96.7Very high96.1Very high6 Ų662.4 Ų62.42%0.02430%0.298CS..EExtended strand (participates in β ladder)trans-122.8150.3-172.4-71-93.2000112.2E76 K80 F81 C82 A83 L98 K99 R100E76-Y108 VanDerWaalsContact CD-OH 3.24Å; E76-Y108 WeakPolarHBondContact CG-OH 3.48Å; E76-Y108 PolarHBondContact OE1-OH 3.45Å; K80-Y108 HydrophobicContact CD-CD1 4.25Å; K80-Y108 HydrophobicContact CD-CE1 3.74Å; K80-Y108 HydrophobicContact CG-CD1 4.14Å; K80-Y108 HydrophobicContact CG-CD2 4.18Å; K80-Y108 HydrophobicContact CG-CE1 3.75Å; K80-Y108 HydrophobicContact CG-CE2 3.83Å; K80-Y108 HydrophobicContact CG-CG 4.32Å; F81-Y108 VanDerWaalsContact O-CB 3.31Å; F81-Y108 WeakPolarHBondContact O-CB 3.44Å; C82-Y108 CarbonylContact C-O 3.56Å; C82-Y108 WeakPolarHBondContact CA-O 3.29Å; A83-Y108 PolarHBondContact N-O 3.32Å; L98-Y108 HydrophobicContact CB-CD1 3.98Å; L98-Y108 HydrophobicContact CB-CG 4.47Å; K99-Y108 CarbonylContact O-C 3.51Å; K99-Y108 WeakPolarHBondContact O-CA 3.25Å; R100-Y108 HydrophobicContact CB-CE1 4.48Å; R100-Y108 HydrophobicContact CG-CD1 3.53Å; R100-Y108 HydrophobicContact CG-CE1 3.13Å; R100-Y108 HydrophobicContact CG-CE2 4.2Å; R100-Y108 HydrophobicContact CG-CG 4.23Å; R100-Y108 VanDerWaalsContact CG-CZ 3.5Å
109Y97.4Very high96.2Very high3 Ų365.8 Ų65.81%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-139.2139.6178-58.2-74.1000111.1A83 K99 C101 V107 C114 Q115 D118A83-Y109 HydrophobicContact CB-CD1 4.42Å; A83-Y109 HydrophobicContact CB-CE1 3.83Å; K99-Y109 PolarHBondContact N-O 2.83Å; K99-Y109 PolarHBondContact O-N 2.77Å; C101-Y109 HydrophobicContact CB-CE2 4.15Å; V107-Y109 HydrophobicContact CG2-CE2 3.77Å; Y109-C114 HydrophobicContact CD1-CB 4.27Å; Y109-Q115 HydrophobicContact CD1-CB 4.17Å; Y109-Q115 HydrophobicContact CD2-CB 3.68Å; Y109-Q115 HydrophobicContact CD2-CG 3.74Å; Y109-Q115 HydrophobicContact CE1-CB 4.49Å; Y109-Q115 HydrophobicContact CE2-CB 4.02Å; Y109-Q115 HydrophobicContact CE2-CG 3.67Å; Y109-Q115 HydrophobicContact CG-CB 3.75Å; Y109-Q115 HydrophobicContact CG-CG 4.31Å; Y109-D118 HydrophobicContact CE1-CB 3.58Å; Y109-D118 VanDerWaalsContact CE1-OD2 3.24Å; Y109-D118 WeakPolarHBondContact CE1-OD2 3.4Å; Y109-D118 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D118 PolarHBondContact OH-OD2 3.11Å
110C96.3Very high96.3Very high14 Ų1462.2 Ų62.210%0.09530%0.3CS..SBendtrans-76.3-27.9175.161.60000112.9C82 L92 L98C82-C110 HydrophobicContact CB-CB 4.33Å; C82-C110 PolarHBondContact SG-N 3Å; C82-C110 VanDerWaalsContact SG-SG 3.69Å; L92-C110 HydrophobicContact CD2-CB 3.67Å; L98-C110 HydrophobicContact CD2-CB 3.77Å
111T95.3Very high96.4Very high55 Ų5563.2 Ų63.234%0.33731%0.309SS..SBendtrans-142.5161.617968.20000112D113 C114 Q115T111-D113 PolarHBondContact O-N 3.12Å; T111-D113 PolarHBondContact OG1-N 2.89Å; T111-C114 PolarHBondContact O-N 3.5Å; T111-C114 PolarHBondContact OG1-N 3.45Å; T111-C114 VanDerWaalsContact OG1-N 3.12Å; T111-C114 PolarHBondContact OG1-SG 2.91Å; T111-Q115 PolarHBondContact O-N 2.87Å
112K96.3Very high96.4Very high156 Ų15663.2 Ų63.268%0.67831%0.308SS*.Hα-helixtrans-59.8-32.1170.8-72-175177.3179.30111.8Q115 K116K112-Q115 WeakPolarHBondContact O-CB 3.38Å; K112-Q115 PolarHBondContact O-N 2.97Å; K112-K116 WeakPolarHBondContact O-CG 3.48Å; K112-K116 PolarHBondContact O-N 3.02Å
113D97.1Very high96.5Very high108 Ų10863 Ų6358%0.57830%0.298SS*.Hα-helixtrans-71.3-38.2179.2-59-33.5000111.9T111 Q115 K116 K117T111-D113 PolarHBondContact O-N 3.12Å; T111-D113 PolarHBondContact OG1-N 2.89Å; D113-Q115 VanDerWaalsContact C-N 3.31Å; D113-Q115 PolarHBondContact O-N 2.95Å; D113-K116 PolarHBondContact O-N 2.89Å; D113-K117 VanDerWaalsContact O-CB 3.32Å; D113-K117 WeakPolarHBondContact O-CB 3.36Å; D113-K117 PolarHBondContact O-N 3.2Å
114C97.5Very high96.6Very high19 Ų1964.4 Ų64.413%0.12830%0.304CS..Hα-helixtrans-59.7-43.1170-75.90000111.3S84 Y109 T111 K117 D118S84-C114 WeakPolarHBondContact CB-O 3.45Å; S84-C114 PolarHBondContact OG-O 3.14Å; Y109-C114 HydrophobicContact CD1-CB 4.27Å; T111-C114 PolarHBondContact O-N 3.5Å; T111-C114 PolarHBondContact OG1-N 3.45Å; T111-C114 VanDerWaalsContact OG1-N 3.12Å; T111-C114 PolarHBondContact OG1-SG 2.91Å; C114-K117 PolarHBondContact O-N 3.05Å; C114-D118 WeakPolarHBondContact O-CB 3.44Å; C114-D118 PolarHBondContact O-N 3.49Å
115Q97.8Very high96.7Very high57 Ų5764.9 Ų64.927%0.26631%0.306SS..Hα-helixtrans-62.2-45.1175.3-175.4178.42200112.1Y109 T111 K112 D113 D118 W119Y109-Q115 HydrophobicContact CD1-CB 4.17Å; Y109-Q115 HydrophobicContact CD2-CB 3.68Å; Y109-Q115 HydrophobicContact CD2-CG 3.74Å; Y109-Q115 HydrophobicContact CE1-CB 4.49Å; Y109-Q115 HydrophobicContact CE2-CB 4.02Å; Y109-Q115 HydrophobicContact CE2-CG 3.67Å; Y109-Q115 HydrophobicContact CG-CB 3.75Å; Y109-Q115 HydrophobicContact CG-CG 4.31Å; T111-Q115 PolarHBondContact O-N 2.87Å; K112-Q115 WeakPolarHBondContact O-CB 3.38Å; K112-Q115 PolarHBondContact O-N 2.97Å; D113-Q115 VanDerWaalsContact C-N 3.31Å; D113-Q115 PolarHBondContact O-N 2.95Å; Q115-D118 PolarHBondContact O-N 3.34Å; Q115-W119 WeakPolarHBondContact O-CB 3.28Å; Q115-W119 PolarHBondContact O-N 3.45Å
116K97.9Very high96.9Very high149 Ų14962.2 Ų62.265%0.64829%0.293SS*.Hα-helixtrans-62.4-42.3177.8-74.3175-178.9176.10112K112 D113 D118 W119K112-K116 WeakPolarHBondContact O-CG 3.48Å; K112-K116 PolarHBondContact O-N 3.02Å; D113-K116 PolarHBondContact O-N 2.89Å; K116-D118 VanDerWaalsContact C-N 3.32Å; K116-W119 WeakPolarHBondContact O-CB 3.3Å; K116-W119 PolarHBondContact O-N 3.3Å
117K97.9Very high97Very high156 Ų15670.8 Ų70.868%0.67833%0.33SS*.Hα-helixtrans-62.6-40.6177.7-177.1179.4177.4-174.90111.7D113 C114 P120D113-K117 VanDerWaalsContact O-CB 3.32Å; D113-K117 WeakPolarHBondContact O-CB 3.36Å; D113-K117 PolarHBondContact O-N 3.2Å; C114-K117 PolarHBondContact O-N 3.05Å; K117-P120 WeakPolarHBondContact O-CD 3.32Å
118D97.6Very high97.1Very high9 Ų973.2 Ų73.25%0.04834%0.342CS..Hα-helixtrans-79.3-23.8-178.6-169.146000113.8Y109 C114 Q115 K116 P120 H121 H122 N403Y109-D118 HydrophobicContact CE1-CB 3.58Å; Y109-D118 VanDerWaalsContact CE1-OD2 3.24Å; Y109-D118 WeakPolarHBondContact CE1-OD2 3.4Å; Y109-D118 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D118 PolarHBondContact OH-OD2 3.11Å; C114-D118 WeakPolarHBondContact O-CB 3.44Å; C114-D118 PolarHBondContact O-N 3.49Å; Q115-D118 PolarHBondContact O-N 3.34Å; K116-D118 VanDerWaalsContact C-N 3.32Å; D118-P120 VanDerWaalsContact O-N 3.13Å; D118-H121 PolarHBondContact O-N 2.85Å; D118-H122 PolarHBondContact O-N 2.75Å; D118-N403 PolarHBondContact OD1-ND2 2.79Å; D118-N403 PolarHBondContact OD2-ND2 2.91Å
119W97.6Very high97.1Very high94 Ų9472.9 Ų72.936%0.35634%0.341SS..Hα-helixtrans-49.2-41.1-173.3-175.7-116.1000115.7K103 Q115 K116 H121 H122 K123K103-W119 HydrophobicContact CD-CH2 4.16Å; Q115-W119 WeakPolarHBondContact O-CB 3.28Å; Q115-W119 PolarHBondContact O-N 3.45Å; K116-W119 WeakPolarHBondContact O-CB 3.3Å; K116-W119 PolarHBondContact O-N 3.3Å; W119-H121 PolarHBondContact O-N 3.41Å; W119-H122 AromaticContact CE3-CD2 3.99Å; W119-H122 AromaticContact CZ3-CD2 3.86Å; W119-H122 PolarHBondContact O-N 3.33Å; W119-K123 HydrophobicContact CD2-CB 3.93Å; W119-K123 HydrophobicContact CE3-CB 4.14Å; W119-K123 HydrophobicContact CH2-CB 3.84Å; W119-K123 HydrophobicContact CZ2-CB 3.63Å; W119-K123 HydrophobicContact CZ3-CB 4.1Å; W119-K123 VanDerWaalsContact O-CB 3.23Å; W119-K123 WeakPolarHBondContact O-CB 3.33Å; W119-K123 WeakPolarHBondContact O-CG 3.29Å; W119-K123 PolarHBondContact O-N 2.95Å
120P97.5Very high97Very high65 Ų6578.2 Ų78.242%0.42236%0.361SS..Hα-helixtrans-57.3-31.9177.6-2636.3000114.3K117 D118K117-P120 WeakPolarHBondContact O-CD 3.32Å; D118-P120 VanDerWaalsContact O-N 3.13Å
121H95.9Very high97.1Very high109 Ų10979.9 Ų79.951%0.50537%0.369SS..Hα-helixtrans-88.1-52.9176.3-54.396.8000110.1D118 W119 K123 K124 N403D118-H121 PolarHBondContact O-N 2.85Å; W119-H121 PolarHBondContact O-N 3.41Å; H121-K123 VanDerWaalsContact C-N 3.31Å; H121-K123 PolarHBondContact O-N 3.21Å; H121-K124 WeakPolarHBondContact O-CB 3.5Å; H121-K124 PolarHBondContact O-N 2.81Å; H121-K124 VanDerWaalsContact O-N 3.14Å; H121-N403 HydrophobicContact CB-CB 4.28Å
122H97.1Very high97.2Very high0 Ų077.5 Ų77.50%036%0.355CS..Hα-helixtrans-58.4-39.4-175.2-179.159.2000113.4C101 C104 V107 D118 W119 K124 V125 C126 N403C101-H122 PolarHBondContact SG-NE2 2.84Å; C104-H122 VanDerWaalsContact SG-CE1 3.58Å; V107-H122 WeakPolarHBondContact CG2-CE1 3.21Å; D118-H122 PolarHBondContact O-N 2.75Å; W119-H122 AromaticContact CE3-CD2 3.99Å; W119-H122 AromaticContact CZ3-CD2 3.86Å; W119-H122 PolarHBondContact O-N 3.33Å; H122-K124 PolarHBondContact O-N 3.33Å; H122-V125 WeakPolarHBondContact O-CG2 3.39Å; H122-V125 PolarHBondContact O-N 2.93Å; H122-C126 PolarHBondContact NE2-SG 2.9Å; H122-C126 WeakPolarHBondContact O-CB 3.37Å; H122-C126 PolarHBondContact O-N 3Å; H122-N403 WeakPolarHBondContact CA-OD1 3.11Å
123K96.9Very high97.1Very high118 Ų11870.3 Ų70.351%0.51332%0.324SS..Hα-helixtrans-56.9-27-17872.8-174.3-178.4174.60113.3W119 H121 V125W119-K123 HydrophobicContact CD2-CB 3.93Å; W119-K123 HydrophobicContact CE3-CB 4.14Å; W119-K123 HydrophobicContact CH2-CB 3.84Å; W119-K123 HydrophobicContact CZ2-CB 3.63Å; W119-K123 HydrophobicContact CZ3-CB 4.1Å; W119-K123 VanDerWaalsContact O-CB 3.23Å; W119-K123 WeakPolarHBondContact O-CB 3.33Å; W119-K123 WeakPolarHBondContact O-CG 3.29Å; W119-K123 PolarHBondContact O-N 2.95Å; H121-K123 VanDerWaalsContact C-N 3.31Å; H121-K123 PolarHBondContact O-N 3.21Å; K123-V125 VanDerWaalsContact C-N 3.35Å
124K97.2Very high97.1Very high161 Ų16165.8 Ų65.870%0.730%0.3SS*.Hα-helixtrans-69.6-33.3179.3-58.5-178.9-178.5-178.20112H121 H122H121-K124 WeakPolarHBondContact O-CB 3.5Å; H121-K124 PolarHBondContact O-N 2.81Å; H121-K124 VanDerWaalsContact O-N 3.14Å; H122-K124 PolarHBondContact O-N 3.33Å
125V96.8Very high97Very high9 Ų965 Ų656%0.05529%0.294CS..Hα-helixtrans-111-12-175.9-63.10000113.2H122 K123 K127 I128 L129H122-V125 WeakPolarHBondContact O-CG2 3.39Å; H122-V125 PolarHBondContact O-N 2.93Å; K123-V125 VanDerWaalsContact C-N 3.35Å; V125-K127 VanDerWaalsContact C-N 3.26Å; V125-K127 PolarHBondContact O-N 3.39Å; V125-K127 VanDerWaalsContact O-N 3.09Å; V125-I128 PolarHBondContact O-N 3.01Å; V125-L129 HydrophobicContact CB-CD1 4.31Å; V125-L129 HydrophobicContact CB-CG 4.18Å; V125-L129 HydrophobicContact CG2-CD1 3.68Å; V125-L129 HydrophobicContact CG2-CG 4.11Å; V125-L129 WeakPolarHBondContact O-CG 3.34Å; V125-L129 PolarHBondContact O-N 3.27Å
126C97.6Very high96.8Very high10 Ų1064.4 Ų64.47%0.06829%0.29CS..Hα-helixtrans-49.4-42.9-174-173.30000113.3C104 H122 L129 R130C104-C126 WeakPolarHBondContact CB-O 3.36Å; H122-C126 PolarHBondContact NE2-SG 2.9Å; H122-C126 WeakPolarHBondContact O-CB 3.37Å; H122-C126 PolarHBondContact O-N 3Å; C126-L129 PolarHBondContact O-N 3.1Å; C126-R130 PolarHBondContact O-N 2.94Å
127K96.9Very high96.6Very high184 Ų18458 Ų5880%0.826%0.262SS*.Hα-helixtrans-64.7-46.8178.2-173.6-179.5176.5-174.10111.8V125 L129 R130V125-K127 VanDerWaalsContact C-N 3.26Å; V125-K127 PolarHBondContact O-N 3.39Å; V125-K127 VanDerWaalsContact O-N 3.09Å; K127-L129 VanDerWaalsContact C-N 3.33Å; K127-R130 VanDerWaalsContact O-CB 3.29Å; K127-R130 WeakPolarHBondContact O-CB 3.1Å; K127-R130 PolarHBondContact O-N 2.84Å
128I97.1Very high96.5Very high55 Ų5550.6 Ų50.628%0.28223%0.23SC..Hα-helixtrans-67.3-38.6179.6-56174.7000110.2V125 R130 L131 V132 P395 P406V125-I128 PolarHBondContact O-N 3.01Å; I128-R130 PolarHBondContact O-N 3.08Å; I128-L131 WeakPolarHBondContact O-CA 3.47Å; I128-L131 VanDerWaalsContact O-CB 3.25Å; I128-L131 WeakPolarHBondContact O-CB 3.49Å; I128-L131 PolarHBondContact O-N 3.14Å; I128-V132 PolarHBondContact O-N 3.08Å; I128-V132 VanDerWaalsContact O-N 3.16Å; I128-P395 HydrophobicContact CG2-CB 3.59Å; I128-P395 HydrophobicContact CG2-CG 3.9Å; I128-P406 HydrophobicContact CB-CG 4.34Å; I128-P406 HydrophobicContact CG2-CB 4.18Å; I128-P406 HydrophobicContact CG2-CG 3.68Å
129L96.8Very high96.3Very high0 Ų052.7 Ų52.70%024%0.24CC..Hα-helixtrans-64.9-20.9176.6-65-174.8000113.6C104 N106 V107 V125 C126 K127 L131 V132 A133 Q397 P402 P406C104-L129 HydrophobicContact CB-CB 4.1Å; N106-L129 HydrophobicContact CB-CB 4.03Å; N106-L129 WeakPolarHBondContact CB-O 3.19Å; V107-L129 HydrophobicContact CG1-CD1 3.77Å; V125-L129 HydrophobicContact CB-CD1 4.31Å; V125-L129 HydrophobicContact CB-CG 4.18Å; V125-L129 HydrophobicContact CG2-CD1 3.68Å; V125-L129 HydrophobicContact CG2-CG 4.11Å; V125-L129 WeakPolarHBondContact O-CG 3.34Å; V125-L129 PolarHBondContact O-N 3.27Å; C126-L129 PolarHBondContact O-N 3.1Å; K127-L129 VanDerWaalsContact C-N 3.33Å; L129-L131 VanDerWaalsContact C-N 3.31Å; L129-V132 HydrophobicContact CD2-CG2 4.09Å; L129-A133 PolarHBondContact O-N 2.85Å; L129-A133 VanDerWaalsContact O-N 3.09Å; L129-Q397 HydrophobicContact CD2-CB 4.13Å; L129-Q397 HydrophobicContact CD2-CG 3.89Å; L129-P402 WeakPolarHBondContact CD1-O 3.4Å; L129-P406 HydrophobicContact CD2-CG 4.14Å
130R96.8Very high95.9Very high114 Ų11449.1 Ų49.143%0.4323%0.226SC..Hα-helixtrans-63.5-41168.3-177.9178.6161168-6.1110.7C104 C126 K127 I128 A133 I134 D203C104-R130 HydrophobicContact CB-CB 4.32Å; C126-R130 PolarHBondContact O-N 2.94Å; K127-R130 VanDerWaalsContact O-CB 3.29Å; K127-R130 WeakPolarHBondContact O-CB 3.1Å; K127-R130 PolarHBondContact O-N 2.84Å; I128-R130 PolarHBondContact O-N 3.08Å; R130-A133 PolarHBondContact O-N 2.72Å; R130-I134 HydrophobicContact CG-CD1 4.4Å; R130-I134 WeakPolarHBondContact O-CG1 3.28Å; R130-I134 PolarHBondContact O-N 3.14Å; R130-D203 IonicContact CZ-OD2 2.99Å; R130-D203 IonicContact NH2-OD2 3.37Å; R130-D203 PolarHBondContact NH2-OD2 3.01Å
131L97.7Very high95.7Very high50 Ų5046 Ų4626%0.26221%0.206SC..Hα-helixtrans-63.9-49.7176.9-51.1-179.2000110.1I128 L129 A133 I134 D135 P395I128-L131 WeakPolarHBondContact O-CA 3.47Å; I128-L131 VanDerWaalsContact O-CB 3.25Å; I128-L131 WeakPolarHBondContact O-CB 3.49Å; I128-L131 PolarHBondContact O-N 3.14Å; L129-L131 VanDerWaalsContact C-N 3.31Å; L131-A133 PolarHBondContact O-N 2.71Å; L131-I134 WeakPolarHBondContact O-CA 3.35Å; L131-I134 PolarHBondContact O-N 3.38Å; L131-D135 WeakPolarHBondContact O-CB 3.43Å; L131-D135 PolarHBondContact O-N 3.24Å; L131-P395 HydrophobicContact CB-CG 4.08Å
132V96.1Very high95.4Very high5 Ų543 Ų433%0.0319%0.193CC..Hα-helixtrans-51.5-43175.9179.70000112I128 L129 I134 R136 P395 Q397I128-V132 PolarHBondContact O-N 3.08Å; I128-V132 VanDerWaalsContact O-N 3.16Å; L129-V132 HydrophobicContact CD2-CG2 4.09Å; V132-I134 VanDerWaalsContact C-N 3.31Å; V132-I134 PolarHBondContact O-N 2.8Å; V132-R136 WeakPolarHBondContact O-CB 3.44Å; V132-R136 PolarHBondContact O-N 2.59Å; V132-P395 HydrophobicContact CG2-CB 4.12Å; V132-P395 HydrophobicContact CG2-CG 3.93Å; V132-Q397 HydrophobicContact CG1-CB 3.87Å; V132-Q397 HydrophobicContact CG2-CB 4.34Å
133A94.8Very high94.8Very high5 Ų549.2 Ų49.24%0.04122%0.22CC..Hα-helixtrans-67.2-29.1179.300000114.1C104 N106 L129 R130 L131C104-A133 WeakPolarHBondContact O-CB 3.48Å; N106-A133 HydrophobicContact CB-CB 3.89Å; L129-A133 PolarHBondContact O-N 2.85Å; L129-A133 VanDerWaalsContact O-N 3.09Å; R130-A133 PolarHBondContact O-N 2.72Å; L131-A133 PolarHBondContact O-N 2.71Å
134I96.6Very high94.4Very high12 Ų1245.6 Ų45.66%0.06221%0.208CC..Hα-helixtrans-80.3-49.6175.1-61.9169.7000108.9R130 L131 V132 R136 L137 V138 W191 P199 D203 L204R130-I134 HydrophobicContact CG-CD1 4.4Å; R130-I134 WeakPolarHBondContact O-CG1 3.28Å; R130-I134 PolarHBondContact O-N 3.14Å; L131-I134 WeakPolarHBondContact O-CA 3.35Å; L131-I134 PolarHBondContact O-N 3.38Å; V132-I134 VanDerWaalsContact C-N 3.31Å; V132-I134 PolarHBondContact O-N 2.8Å; I134-R136 VanDerWaalsContact C-N 3.32Å; I134-R136 PolarHBondContact O-N 3.4Å; I134-L137 WeakPolarHBondContact O-CB 3.3Å; I134-L137 PolarHBondContact O-N 3.17Å; I134-V138 HydrophobicContact CG2-CG2 4.08Å; I134-V138 PolarHBondContact O-N 3.27Å; I134-W191 HydrophobicContact CG2-CH2 4.47Å; I134-W191 HydrophobicContact CG2-CZ2 4.36Å; I134-P199 HydrophobicContact CD1-CB 4.13Å; I134-P199 HydrophobicContact CD1-CG 3.86Å; I134-P199 HydrophobicContact CG1-CG 3.87Å; I134-P199 HydrophobicContact CG2-CG 4.18Å; I134-D203 HydrophobicContact CD1-CB 4.26Å; I134-L204 HydrophobicContact CG2-CD2 4.02Å
135D96.8Very high94Very high2 Ų240.3 Ų40.31%0.01120%0.199CC..Hα-helixtrans-57.6-43.6-176.3-62.8-15.4000111.4L131 L137 V138 E139 S207 R210 K394L131-D135 WeakPolarHBondContact O-CB 3.43Å; L131-D135 PolarHBondContact O-N 3.24Å; D135-L137 PolarHBondContact O-N 2.93Å; D135-L137 VanDerWaalsContact O-N 3.12Å; D135-V138 PolarHBondContact O-N 3.49Å; D135-V138 VanDerWaalsContact O-N 3.13Å; D135-E139 VanDerWaalsContact O-CB 3.28Å; D135-E139 WeakPolarHBondContact O-CB 3.26Å; D135-E139 PolarHBondContact O-N 3.28Å; D135-S207 WeakPolarHBondContact CA-OG 3.37Å; D135-S207 WeakPolarHBondContact OD1-CA 3.29Å; D135-S207 VanDerWaalsContact OD1-CB 3.24Å; D135-S207 WeakPolarHBondContact OD1-CB 3.33Å; D135-S207 PolarHBondContact OD1-OG 2.87Å; D135-R210 IonicContact OD1-CZ 2.77Å; D135-R210 IonicContact OD1-NE 2.72Å; D135-R210 PolarHBondContact OD1-NE 3.31Å; D135-R210 VanDerWaalsContact OD1-NE 3.17Å; D135-R210 IonicContact OD1-NH2 2.84Å; D135-R210 PolarHBondContact OD1-NH2 3.44Å; D135-R210 IonicContact OD2-CZ 3.01Å; D135-R210 IonicContact OD2-NE 3.74Å; D135-R210 PolarHBondContact OD2-NE 3.29Å; D135-R210 IonicContact OD2-NH2 3.26Å; D135-K394 HydrophobicContact CB-CG 4.44Å
136R92.6Very high93.9Very high46 Ų4641.4 Ų41.417%0.17420%0.204CC..Hα-helixtrans-55.6-32.5176.1-174.1-175.7-61.7154.76.1113.5F79 N106 V132 I134F79-R136 VanDerWaalsContact CD1-CZ 3.43Å; F79-R136 VanDerWaalsContact CD1-NH1 3.33Å; F79-R136 VanDerWaalsContact CD2-NH1 3.29Å; F79-R136 VanDerWaalsContact CZ-CZ 3.48Å; F79-R136 VanDerWaalsContact CZ-NE 3.33Å; N106-R136 PolarHBondContact OD1-NH2 2.93Å; V132-R136 WeakPolarHBondContact O-CB 3.44Å; V132-R136 PolarHBondContact O-N 2.59Å; I134-R136 VanDerWaalsContact C-N 3.32Å; I134-R136 PolarHBondContact O-N 3.4Å
137L93.8Very high93.7Very high14 Ų1441 Ų417%0.07320%0.202CC..Hα-helixtrans-82.6-44.2177-71.7177.3000111.3F72 I134 D135 E139 W140 L190 W191 A194F72-L137 HydrophobicContact CD1-CD2 3.9Å; F72-L137 HydrophobicContact CE1-CD2 4.32Å; I134-L137 WeakPolarHBondContact O-CB 3.3Å; I134-L137 PolarHBondContact O-N 3.17Å; D135-L137 PolarHBondContact O-N 2.93Å; D135-L137 VanDerWaalsContact O-N 3.12Å; L137-E139 PolarHBondContact O-N 3.05Å; L137-W140 WeakPolarHBondContact O-CB 3.18Å; L137-W140 PolarHBondContact O-N 3.05Å; L137-W140 VanDerWaalsContact O-N 3.13Å; L137-L190 HydrophobicContact CB-CD1 4.16Å; L137-L190 HydrophobicContact CB-CD2 4.29Å; L137-L190 WeakPolarHBondContact O-CD1 3.47Å; L137-W191 HydrophobicContact CB-CH2 4.07Å; L137-W191 HydrophobicContact CB-CZ2 4.48Å; L137-W191 HydrophobicContact CD1-CE3 4.38Å; L137-W191 HydrophobicContact CD1-CH2 3.61Å; L137-W191 HydrophobicContact CD1-CZ3 3.44Å; L137-W191 VanDerWaalsContact CD1-CZ3 3.44Å; L137-A194 HydrophobicContact CD1-CB 3.89Å; L137-A194 HydrophobicContact CD2-CB 4.26Å
138V96.1Very high93.6Very high0 Ų032.9 Ų32.90%017%0.168CC..Hα-helixtrans-65.5-27.8179.6-179.90000111.3I134 D135 W140 L141 M187 L190 W191 L204 S207 I208 I211I134-V138 HydrophobicContact CG2-CG2 4.08Å; I134-V138 PolarHBondContact O-N 3.27Å; D135-V138 PolarHBondContact O-N 3.49Å; D135-V138 VanDerWaalsContact O-N 3.13Å; V138-W140 PolarHBondContact O-N 3.1Å; V138-W140 VanDerWaalsContact O-N 3.09Å; V138-L141 HydrophobicContact CG1-CD1 3.92Å; V138-L141 WeakPolarHBondContact O-CB 3.44Å; V138-L141 VanDerWaalsContact O-CG 3.3Å; V138-L141 WeakPolarHBondContact O-CG 3.26Å; V138-L141 PolarHBondContact O-N 3.4Å; V138-M187 HydrophobicContact CG1-CE 4.37Å; V138-L190 HydrophobicContact CG2-CD2 4.33Å; V138-W191 HydrophobicContact CG2-CZ2 4.2Å; V138-L204 HydrophobicContact CG2-CD2 4.14Å; V138-S207 WeakPolarHBondContact CB-OG 3.29Å; V138-S207 WeakPolarHBondContact CG2-OG 3.44Å; V138-I208 HydrophobicContact CG1-CG1 3.96Å; V138-I211 HydrophobicContact CB-CD1 3.48Å; V138-I211 VanDerWaalsContact CB-CD1 3.48Å; V138-I211 HydrophobicContact CG1-CD1 3.4Å; V138-I211 VanDerWaalsContact CG1-CD1 3.4Å
139E92.8Very high93.4Very high53 Ų5331.4 Ų31.425%0.24816%0.159CC..G310 helixtrans-56.8-24.2173.6-170.5169.3-138.100113D135 L137 L141 M142 I211 K394D135-E139 VanDerWaalsContact O-CB 3.28Å; D135-E139 WeakPolarHBondContact O-CB 3.26Å; D135-E139 PolarHBondContact O-N 3.28Å; L137-E139 PolarHBondContact O-N 3.05Å; E139-L141 PolarHBondContact O-N 3.26Å; E139-L141 VanDerWaalsContact O-N 3.13Å; E139-M142 HydrophobicContact CG-CE 3.43Å; E139-M142 VanDerWaalsContact CG-CE 3.43Å; E139-M142 HydrophobicContact CG-CG 4.5Å; E139-M142 HydrophobicContact CG-SD 3.49Å; E139-M142 WeakPolarHBondContact CG-SD 3.35Å; E139-M142 VanDerWaalsContact O-CB 3.31Å; E139-M142 WeakPolarHBondContact O-CB 3.24Å; E139-M142 WeakPolarHBondContact O-CG 3.39Å; E139-M142 PolarHBondContact O-N 2.85Å; E139-M142 VanDerWaalsContact O-N 3.09Å; E139-I211 HydrophobicContact CB-CD1 4.35Å; E139-K394 IonicContact OE1-NZ 3.6Å; E139-K394 PolarHBondContact OE1-NZ 3.08Å; E139-K394 IonicContact OE2-NZ 2.71Å
140W90.8Very high93.3Very high20 Ų2036.7 Ų36.78%0.07619%0.194CC..G310 helixtrans-57.3-28.2172.3176.965.7000113.2Y68 M71 F72 L137 V138 M142 F143 T144 N186 A189 L190Y68-W140 HydrophobicContact CD1-CZ2 4.08Å; Y68-W140 AromaticContact CE1-CZ2 3.89Å; Y68-W140 HydrophobicContact CE1-CZ2 3.89Å; Y68-W140 HydrophobicContact CE2-CZ2 4.37Å; Y68-W140 HydrophobicContact CG-CZ2 4.41Å; M71-W140 HydrophobicContact CE-CG 4.43Å; F72-W140 HydrophobicContact CE1-CB 4.05Å; F72-W140 HydrophobicContact CE1-CD2 4.25Å; F72-W140 AromaticContact CE1-CG 3.9Å; F72-W140 HydrophobicContact CE1-CG 3.9Å; F72-W140 HydrophobicContact CZ-CB 4.27Å; F72-W140 AromaticContact CZ-CD2 3.58Å; F72-W140 HydrophobicContact CZ-CD2 3.58Å; F72-W140 AromaticContact CZ-CE2 3.87Å; F72-W140 AromaticContact CZ-CE3 3.95Å; F72-W140 HydrophobicContact CZ-CE3 3.95Å; F72-W140 AromaticContact CZ-CG 3.71Å; F72-W140 HydrophobicContact CZ-CG 3.71Å; F72-W140 HydrophobicContact CZ-CZ2 4.42Å; F72-W140 HydrophobicContact CZ-CZ3 4.49Å; L137-W140 WeakPolarHBondContact O-CB 3.18Å; L137-W140 PolarHBondContact O-N 3.05Å; L137-W140 VanDerWaalsContact O-N 3.13Å; V138-W140 PolarHBondContact O-N 3.1Å; V138-W140 VanDerWaalsContact O-N 3.09Å; W140-M142 PolarHBondContact O-N 3.16Å; W140-M142 VanDerWaalsContact O-N 3.12Å; W140-F143 PolarHBondContact O-N 2.89Å; W140-T144 HydrophobicContact CD2-CG2 4.09Å; W140-T144 HydrophobicContact CE3-CG2 4.18Å; W140-T144 HydrophobicContact CH2-CG2 3.65Å; W140-T144 HydrophobicContact CZ2-CG2 3.49Å; W140-T144 VanDerWaalsContact CZ2-CG2 3.49Å; W140-T144 HydrophobicContact CZ3-CG2 3.98Å; W140-N186 HydrophobicContact CH2-CB 4.45Å; W140-N186 HydrophobicContact CZ3-CB 4.08Å; W140-N186 WeakPolarHBondContact CZ3-O 3.5Å; W140-A189 HydrophobicContact CH2-CB 4.45Å; W140-L190 HydrophobicContact CB-CD1 4.08Å; W140-L190 HydrophobicContact CD2-CD1 4.25Å; W140-L190 HydrophobicContact CE3-CB 3.91Å; W140-L190 HydrophobicContact CE3-CD1 3.73Å; W140-L190 HydrophobicContact CE3-CG 4.39Å; W140-L190 HydrophobicContact CG-CD1 4.43Å; W140-L190 HydrophobicContact CZ3-CB 3.93Å; W140-L190 HydrophobicContact CZ3-CD1 4.5Å
141L92.9Very high93.2Very high0 Ų032.3 Ų32.30%018%0.18CC..G310 helixtrans-64.2-15.1179.5-64.9-178.3000113.7V138 E139 T144 G145 D146 L147 V181 N186 M187V138-L141 HydrophobicContact CG1-CD1 3.92Å; V138-L141 WeakPolarHBondContact O-CB 3.44Å; V138-L141 VanDerWaalsContact O-CG 3.3Å; V138-L141 WeakPolarHBondContact O-CG 3.26Å; V138-L141 PolarHBondContact O-N 3.4Å; E139-L141 PolarHBondContact O-N 3.26Å; E139-L141 VanDerWaalsContact O-N 3.13Å; L141-T144 VanDerWaalsContact CA-OG1 3.31Å; L141-T144 WeakPolarHBondContact CA-OG1 3.46Å; L141-T144 PolarHBondContact O-OG1 2.79Å; L141-T144 VanDerWaalsContact O-OG1 3.13Å; L141-G145 PolarHBondContact O-N 3.29Å; L141-D146 HydrophobicContact CB-CB 4.14Å; L141-D146 PolarHBondContact O-N 3.39Å; L141-L147 HydrophobicContact CB-CD1 4.12Å; L141-L147 HydrophobicContact CB-CG 4.37Å; L141-L147 PolarHBondContact O-N 2.83Å; L141-V181 HydrophobicContact CD1-CG1 3.76Å; L141-N186 HydrophobicContact CD2-CB 3.68Å; L141-M187 HydrophobicContact CD1-CE 3.62Å; L141-M187 HydrophobicContact CD1-SD 4.34Å
142M89.9Confident93Very high46 Ų4633.4 Ų33.423%0.22718%0.183CC..G310 helixtrans-65.6-40.9169.9-57.3175-19.400111.1E139 W140 T144 G145 L147 I211 F215E139-M142 HydrophobicContact CG-CE 3.43Å; E139-M142 VanDerWaalsContact CG-CE 3.43Å; E139-M142 HydrophobicContact CG-CG 4.5Å; E139-M142 HydrophobicContact CG-SD 3.49Å; E139-M142 WeakPolarHBondContact CG-SD 3.35Å; E139-M142 VanDerWaalsContact O-CB 3.31Å; E139-M142 WeakPolarHBondContact O-CB 3.24Å; E139-M142 WeakPolarHBondContact O-CG 3.39Å; E139-M142 PolarHBondContact O-N 2.85Å; E139-M142 VanDerWaalsContact O-N 3.09Å; W140-M142 PolarHBondContact O-N 3.16Å; W140-M142 VanDerWaalsContact O-N 3.12Å; M142-T144 VanDerWaalsContact C-N 3.3Å; M142-T144 PolarHBondContact O-N 2.88Å; M142-G145 PolarHBondContact O-N 2.91Å; M142-L147 WeakPolarHBondContact CA-O 3.41Å; M142-L147 HydrophobicContact CG-CB 4.15Å; M142-I211 HydrophobicContact CG-CG2 4.31Å; M142-I211 HydrophobicContact SD-CG2 4.08Å; M142-F215 HydrophobicContact CB-CZ 4.32Å; M142-F215 HydrophobicContact CE-CZ 4.33Å; M142-F215 HydrophobicContact CG-CE2 3.68Å; M142-F215 HydrophobicContact CG-CZ 3.61Å; M142-F215 HydrophobicContact SD-CE1 4.43Å; M142-F215 HydrophobicContact SD-CE2 3.42Å; M142-F215 WeakPolarHBondContact SD-CE2 3.21Å; M142-F215 HydrophobicContact SD-CZ 3.22Å; M142-F215 WeakPolarHBondContact SD-CZ 3.29Å
143F84.6Confident92.9Very high130 Ų13040.4 Ų40.457%0.5721%0.213SC*.THydrogen-bonded Turntrans-77.8-17.2-178.3-57.9-72.2000113W140 M251W140-F143 PolarHBondContact O-N 2.89Å; F143-M251 HydrophobicContact CE1-SD 4.23Å
144T88.6Confident93Very high42 Ų4241.1 Ų41.126%0.25822%0.215SC..THydrogen-bonded Turntrans-93-5.3173.558.30000113W140 L141 M142 D146 N186W140-T144 HydrophobicContact CD2-CG2 4.09Å; W140-T144 HydrophobicContact CE3-CG2 4.18Å; W140-T144 HydrophobicContact CH2-CG2 3.65Å; W140-T144 HydrophobicContact CZ2-CG2 3.49Å; W140-T144 VanDerWaalsContact CZ2-CG2 3.49Å; W140-T144 HydrophobicContact CZ3-CG2 3.98Å; L141-T144 VanDerWaalsContact CA-OG1 3.31Å; L141-T144 WeakPolarHBondContact CA-OG1 3.46Å; L141-T144 PolarHBondContact O-OG1 2.79Å; L141-T144 VanDerWaalsContact O-OG1 3.13Å; M142-T144 VanDerWaalsContact C-N 3.3Å; M142-T144 PolarHBondContact O-N 2.88Å; T144-D146 WeakPolarHBondContact CB-OD2 3.25Å; T144-D146 PolarHBondContact OG1-OD2 2.79Å; T144-N186 WeakPolarHBondContact CB-ND2 3.45Å; T144-N186 HydrophobicContact CG2-CB 4.27Å
145G88.5Confident92.9Very high50 Ų5045.2 Ų45.252%0.51525%0.245SC..THydrogen-bonded Turntrans81.69176.800000114.8L141 M142 L147L141-G145 PolarHBondContact O-N 3.29Å; M142-G145 PolarHBondContact O-N 2.91Å; G145-L147 VanDerWaalsContact C-N 3.31Å
146D94.4Very high92.9Very high31 Ų3148.7 Ų48.717%0.16626%0.26CS..  trans-74.1-26.9172-56.7-107.1000111.2L141 T144 V181 S184 N186L141-D146 HydrophobicContact CB-CB 4.14Å; L141-D146 PolarHBondContact O-N 3.39Å; T144-D146 WeakPolarHBondContact CB-OD2 3.25Å; T144-D146 PolarHBondContact OG1-OD2 2.79Å; D146-V181 HydrophobicContact CB-CG1 4.26Å; D146-S184 WeakPolarHBondContact OD1-CB 3.43Å; D146-S184 PolarHBondContact OD1-OG 3.06Å; D146-N186 WeakPolarHBondContact OD2-CB 3.47Å; D146-N186 PolarHBondContact OD2-ND2 3.04Å
147L93.8Very high92.9Very high2 Ų249 Ų491%0.0127%0.272CS..SBendtrans-126.9153177.6-71.1173.9000113L141 M142 G145 F149 V181 I208 I211L141-L147 HydrophobicContact CB-CD1 4.12Å; L141-L147 HydrophobicContact CB-CG 4.37Å; L141-L147 PolarHBondContact O-N 2.83Å; M142-L147 WeakPolarHBondContact CA-O 3.41Å; M142-L147 HydrophobicContact CG-CB 4.15Å; G145-L147 VanDerWaalsContact C-N 3.31Å; L147-F149 HydrophobicContact CD2-CD1 3.61Å; L147-F149 HydrophobicContact CD2-CE1 3.93Å; L147-V181 HydrophobicContact CD2-CG2 4.48Å; L147-I208 HydrophobicContact CD1-CG2 4.48Å; L147-I208 HydrophobicContact CD2-CG2 4.05Å; L147-I211 HydrophobicContact CD1-CB 4.19Å; L147-I211 HydrophobicContact CD1-CG2 3.79Å
148P94.2Very high92.9Very high14 Ų1449.2 Ų49.29%0.09127%0.274CS..SBendcis-73149.6-15.824.5-24.6000111.1F215 R254P148-F215 HydrophobicContact CB-CB 3.86Å; P148-F215 HydrophobicContact CB-CD1 4.4Å; P148-F215 HydrophobicContact CB-CD2 3.68Å; P148-F215 HydrophobicContact CB-CE2 4.25Å; P148-F215 HydrophobicContact CB-CG 3.74Å; P148-F215 HydrophobicContact CG-CB 3.89Å; P148-F215 HydrophobicContact CG-CD1 3.68Å; P148-F215 HydrophobicContact CG-CD2 3.8Å; P148-F215 HydrophobicContact CG-CE1 4.03Å; P148-F215 HydrophobicContact CG-CE2 4.14Å; P148-F215 HydrophobicContact CG-CG 3.52Å; P148-F215 HydrophobicContact CG-CZ 4.22Å; P148-R254 VanDerWaalsContact CD-NH2 3.32Å; P148-R254 PolarHBondContact O-NH1 3.39Å; P148-R254 PolarHBondContact O-NH2 3.15Å
149F94.4Very high92.8Very high23 Ų2352 Ų5210%0.10130%0.298CS..PPolyproline II helixtrans-90.5155.9177.456.2-104000111.9L147 L174 L178 V181 I208 Q212L147-F149 HydrophobicContact CD2-CD1 3.61Å; L147-F149 HydrophobicContact CD2-CE1 3.93Å; F149-L174 HydrophobicContact CE2-CD1 3.84Å; F149-L174 HydrophobicContact CZ-CD1 3.74Å; F149-L178 HydrophobicContact CE1-CD2 3.99Å; F149-L178 HydrophobicContact CZ-CD2 3.94Å; F149-L178 HydrophobicContact CZ-CG 4.46Å; F149-V181 HydrophobicContact CD1-CG2 4Å; F149-I208 HydrophobicContact CE1-CG2 4.11Å; F149-Q212 HydrophobicContact CE1-CB 4.19Å; F149-Q212 HydrophobicContact CE1-CG 3.97Å; F149-Q212 HydrophobicContact CE2-CG 4.09Å; F149-Q212 HydrophobicContact CZ-CB 4.25Å; F149-Q212 HydrophobicContact CZ-CG 3.67Å; F149-Q212 PolarHBondContact O-NE2 3.13Å
150P93.4Very high92.9Very high112 Ų11254.2 Ų54.273%0.72731%0.311SS*.PPolyproline II helixtrans-64.4150.2178.4-2032.6000113.4
151T94.9Very high93.2Very high22 Ų2253.5 Ų53.514%0.13531%0.309CS..  trans-106.8170.4177.846.40000111.5W167 L216 E260 H263T151-W167 HydrophobicContact CG2-CH2 3.81Å; T151-W167 HydrophobicContact CG2-CZ2 3.71Å; T151-L216 HydrophobicContact CG2-CD1 4.27Å; T151-L216 HydrophobicContact CG2-CD2 3.71Å; T151-E260 WeakPolarHBondContact CB-OE2 3.42Å; T151-E260 PolarHBondContact OG1-OE2 2.72Å; T151-H263 PolarHBondContact O-CE1 2.7Å; T151-H263 PolarHBondContact O-ND1 2.99Å; T151-H263 PolarHBondContact OG1-CE1 3.12Å; T151-H263 PolarHBondContact OG1-ND1 3.36Å
152E93.8Very high93.3Very high72 Ų7260.5 Ų60.534%0.33634%0.339SS..PPolyproline II helixtrans-87.9158.9175.7-66.3177-166.200112Q171 E172 G173E152-Q171 PolarHBondContact O-NE2 3.32Å; E152-E172 PolarHBondContact OE2-N 3.34Å; E152-E172 VanDerWaalsContact OE2-N 3.15Å; E152-G173 VanDerWaalsContact OE1-CA 3.28Å; E152-G173 WeakPolarHBondContact OE1-CA 3.37Å; E152-G173 PolarHBondContact OE1-N 3.47Å
153K93.8Very high93.7Very high152 Ų15258.7 Ų58.766%0.66133%0.332SS*.PPolyproline II helixtrans-62.3145172.1-66.9-176.8-178.4179.50110.2S155K153-S155 PolarHBondContact O-N 3.21Å
154W95.9Very high94.3Very high21 Ų2153.4 Ų53.48%0.0831%0.309CS..PPolyproline II helixtrans-67.7129.6179.2-71.126.5000110.4P158 V161 W167 M170 L220 E260 H263 M264W154-P158 HydrophobicContact CE3-CG 4.45Å; W154-P158 HydrophobicContact CZ3-CB 4.32Å; W154-V161 HydrophobicContact CE3-CB 4.26Å; W154-V161 HydrophobicContact CE3-CG2 3.63Å; W154-V161 HydrophobicContact CH2-CB 4.15Å; W154-V161 HydrophobicContact CH2-CG1 4.13Å; W154-V161 HydrophobicContact CH2-CG2 4.4Å; W154-V161 HydrophobicContact CZ3-CB 3.57Å; W154-V161 HydrophobicContact CZ3-CG1 3.99Å; W154-V161 HydrophobicContact CZ3-CG2 3.48Å; W154-V161 VanDerWaalsContact CZ3-CG2 3.48Å; W154-W167 AromaticContact CE2-CD1 3.81Å; W154-W167 AromaticContact CE2-NE1 3.84Å; W154-W167 AromaticContact CZ2-CD1 3.67Å; W154-W167 AromaticContact CZ2-NE1 3.9Å; W154-W167 AromaticContact NE1-CD1 3.92Å; W154-W167 AromaticContact NE1-NE1 3.5Å; W154-M170 HydrophobicContact CB-CE 4.27Å; W154-M170 HydrophobicContact CB-SD 4.07Å; W154-M170 HydrophobicContact CD2-CE 3.71Å; W154-M170 HydrophobicContact CE3-CE 3.95Å; W154-M170 HydrophobicContact CG-CE 3.84Å; W154-M170 HydrophobicContact CG-SD 4.3Å; W154-L220 HydrophobicContact CH2-CD2 4.22Å; W154-L220 HydrophobicContact CZ2-CD2 3.5Å; W154-L220 VanDerWaalsContact CZ2-CD2 3.5Å; W154-E260 PolarHBondContact NE1-OE1 3.3Å; W154-H263 WeakPolarHBondContact CB-O 3.45Å; W154-H263 PolarHBondContact N-O 3.06Å; W154-H263 VanDerWaalsContact N-O 3.16Å; W154-M264 HydrophobicContact CD2-CB 4.03Å; W154-M264 HydrophobicContact CD2-CG 4.06Å; W154-M264 HydrophobicContact CE3-CB 4.39Å; W154-M264 HydrophobicContact CE3-CG 3.92Å; W154-M264 HydrophobicContact CH2-CB 4.31Å; W154-M264 HydrophobicContact CH2-CE 3.68Å; W154-M264 HydrophobicContact CH2-CG 3.63Å; W154-M264 HydrophobicContact CH2-SD 3.64Å; W154-M264 HydrophobicContact CZ2-CB 3.89Å; W154-M264 HydrophobicContact CZ2-CE 4.49Å; W154-M264 HydrophobicContact CZ2-CG 3.73Å; W154-M264 HydrophobicContact CZ2-SD 3.87Å; W154-M264 HydrophobicContact CZ3-CE 3.98Å; W154-M264 HydrophobicContact CZ3-CG 3.73Å; W154-M264 HydrophobicContact CZ3-SD 4.23Å
155S95.8Very high94.7Very high97 Ų9758.3 Ų58.368%0.67833%0.333SS*.SBendtrans-86.7-12.117357.50000112.8K153 M170K153-S155 PolarHBondContact O-N 3.21Å; S155-M170 WeakPolarHBondContact OG-CG 3.23Å
156K95.8Very high95.1Very high76 Ų7658.2 Ų58.233%0.3332%0.321SS..SBendtrans-113.4154.8175.8-62.4176.9179.4171.90110.9V161 D166 M170K156-V161 HydrophobicContact CB-CG2 3.87Å; K156-V161 HydrophobicContact CD-CG2 4.28Å; K156-D166 PolarHBondContact NZ-O 2.87Å; K156-D166 IonicContact NZ-OD1 3.1Å; K156-D166 PolarHBondContact NZ-OD1 3.19Å; K156-M170 HydrophobicContact CB-SD 3.74Å; K156-M170 HydrophobicContact CD-CG 4.43Å; K156-M170 HydrophobicContact CD-SD 4.14Å; K156-M170 HydrophobicContact CG-CG 4.42Å; K156-M170 HydrophobicContact CG-SD 3.88Å
157A93.8Very high95.3Very high52 Ų5256.8 Ų56.843%0.4331%0.313SS..  trans-66.9148.4171.500000110.2A159 D160A157-A159 PolarHBondContact O-N 3.07Å; A157-A159 VanDerWaalsContact O-N 3.08Å; A157-D160 PolarHBondContact O-N 2.79Å
158P93.7Very high95.4Very high19 Ų1959.2 Ų59.212%0.12333%0.326CS..G310 helixtrans-50.1-39178.6-34.939.7000114.6W154 D160 V161 Q227 M264 F265W154-P158 HydrophobicContact CE3-CG 4.45Å; W154-P158 HydrophobicContact CZ3-CB 4.32Å; P158-D160 PolarHBondContact O-N 3.22Å; P158-V161 PolarHBondContact O-N 3.05Å; P158-Q227 HydrophobicContact CB-CG 4.41Å; P158-Q227 PolarHBondContact O-NE2 2.75Å; P158-M264 HydrophobicContact CB-CE 3.74Å; P158-M264 HydrophobicContact CB-CG 4.18Å; P158-M264 HydrophobicContact CG-CE 4.39Å; P158-M264 HydrophobicContact CG-CG 3.79Å; P158-M264 WeakPolarHBondContact CG-O 3.38Å; P158-F265 HydrophobicContact CB-CE1 3.94Å; P158-F265 HydrophobicContact CB-CZ 4.45Å; P158-F265 HydrophobicContact CG-CD1 3.84Å; P158-F265 HydrophobicContact CG-CE1 3.62Å; P158-F265 HydrophobicContact CG-CZ 4.4Å
159A93Very high95.5Very high59 Ų5962.7 Ų62.749%0.48835%0.349SS..G310 helixtrans-64.8-22-177.700000113.3A157 K162A157-A159 PolarHBondContact O-N 3.07Å; A157-A159 VanDerWaalsContact O-N 3.08Å; A159-K162 VanDerWaalsContact O-CE 3.29Å; A159-K162 WeakPolarHBondContact O-CE 3.36Å; A159-K162 PolarHBondContact O-NZ 2.9Å
160D95.9Very high95.7Very high99 Ų9961.9 Ų61.953%0.52935%0.345SS..G310 helixtrans-94.9-3.8-176.1-57.6-39.3000113.2A157 P158A157-D160 PolarHBondContact O-N 2.79Å; P158-D160 PolarHBondContact O-N 3.22Å
161V96.8Very high95.8Very high5 Ų557.1 Ų57.13%0.0331%0.313CS..  trans-102.596.6179.8-172.30000108.8W154 K156 P158 D166 W167 M170 F390W154-V161 HydrophobicContact CE3-CB 4.26Å; W154-V161 HydrophobicContact CE3-CG2 3.63Å; W154-V161 HydrophobicContact CH2-CB 4.15Å; W154-V161 HydrophobicContact CH2-CG1 4.13Å; W154-V161 HydrophobicContact CH2-CG2 4.4Å; W154-V161 HydrophobicContact CZ3-CB 3.57Å; W154-V161 HydrophobicContact CZ3-CG1 3.99Å; W154-V161 HydrophobicContact CZ3-CG2 3.48Å; W154-V161 VanDerWaalsContact CZ3-CG2 3.48Å; K156-V161 HydrophobicContact CB-CG2 3.87Å; K156-V161 HydrophobicContact CD-CG2 4.28Å; P158-V161 PolarHBondContact O-N 3.05Å; V161-D166 HydrophobicContact CB-CB 4.25Å; V161-D166 HydrophobicContact CG1-CB 3.77Å; V161-W167 HydrophobicContact CG1-CB 3.9Å; V161-M170 HydrophobicContact CG1-CE 4.01Å; V161-M170 HydrophobicContact CG2-CE 3.64Å; V161-M170 HydrophobicContact CG2-SD 4.14Å; V161-F390 HydrophobicContact CG1-CE1 4.31Å; V161-F390 HydrophobicContact CG1-CZ 3.96Å
162K95.1Very high95.7Very high146 Ų14664.5 Ų64.564%0.63535%0.346SS*.  trans-89-11.6-173.8-58.8-53.2-170.4-169.30114A159 D166 P389A159-K162 VanDerWaalsContact O-CE 3.29Å; A159-K162 WeakPolarHBondContact O-CE 3.36Å; A159-K162 PolarHBondContact O-NZ 2.9Å; K162-D166 WeakPolarHBondContact CB-OD2 3.2Å; K162-D166 PolarHBondContact N-OD2 3.28Å; K162-P389 WeakPolarHBondContact O-CB 3.47Å; K162-P389 WeakPolarHBondContact O-CG 3.42Å
163G97.1Very high95.7Very high8 Ų862 Ų628%0.08234%0.34CS..SBendtrans174.5-163.917800000112.8D165 D166 W167G163-D165 VanDerWaalsContact C-N 3.29Å; G163-D165 PolarHBondContact O-N 3.42Å; G163-D166 PolarHBondContact O-N 3.33Å; G163-D166 VanDerWaalsContact O-N 3.14Å; G163-W167 PolarHBondContact O-N 2.75Å; G163-W167 VanDerWaalsContact O-N 3.12Å
164W97.6Very high95.8Very high20 Ų2055.9 Ų55.98%0.07631%0.314CS..Hα-helixtrans-57.4-37.7-178.8-67113.1000113.9D166 W167 L168 W209 L216 L220 P389 F390 S391W164-D166 PolarHBondContact O-N 3.14Å; W164-W167 HydrophobicContact CE3-CE3 4.05Å; W164-W167 HydrophobicContact CZ3-CD2 4.41Å; W164-W167 HydrophobicContact CZ3-CE3 4.02Å; W164-W167 HydrophobicContact CZ3-CZ3 4.29Å; W164-W167 PolarHBondContact O-N 2.8Å; W164-W167 VanDerWaalsContact O-N 3.14Å; W164-L168 HydrophobicContact CB-CD1 4.41Å; W164-L168 WeakPolarHBondContact O-CB 3.48Å; W164-L168 WeakPolarHBondContact O-CG 3.38Å; W164-L168 PolarHBondContact O-N 2.76Å; W164-W209 AromaticContact CE3-CH2 3.93Å; W164-W209 HydrophobicContact CE3-CH2 3.93Å; W164-W209 AromaticContact CE3-CZ2 3.9Å; W164-W209 HydrophobicContact CE3-CZ2 3.9Å; W164-W209 HydrophobicContact CH2-CH2 4.47Å; W164-W209 AromaticContact CZ3-CH2 3.66Å; W164-W209 HydrophobicContact CZ3-CH2 3.66Å; W164-W209 AromaticContact CZ3-CZ2 3.99Å; W164-W209 HydrophobicContact CZ3-CZ2 3.99Å; W164-L216 HydrophobicContact CH2-CB 3.77Å; W164-L216 HydrophobicContact CZ3-CB 4.28Å; W164-L216 HydrophobicContact CZ3-CD1 4.31Å; W164-L220 HydrophobicContact CH2-CD1 3.78Å; W164-L220 HydrophobicContact CZ3-CD1 3.85Å; W164-P389 VanDerWaalsContact CD1-O 3.25Å; W164-F390 HydrophobicContact CD2-CD1 4.41Å; W164-S391 PolarHBondContact NE1-O 3.46Å
165D97.1Very high95.8Very high145 Ų14559.3 Ų59.378%0.77534%0.337SS*.Hα-helixtrans-63.5-27.6-179.7-66.5-22.9000112.6G163 P169G163-D165 VanDerWaalsContact C-N 3.29Å; G163-D165 PolarHBondContact O-N 3.42Å; D165-P169 WeakPolarHBondContact O-CD 3.09Å; D165-P169 WeakPolarHBondContact O-CG 3.49Å
166D97.5Very high95.9Very high47 Ų4760.8 Ų60.825%0.25133%0.334SS..Hα-helixtrans-86.4-31.9174.4-72-50.2000113.1K156 V161 K162 G163 W164K156-D166 PolarHBondContact NZ-O 2.87Å; K156-D166 IonicContact NZ-OD1 3.1Å; K156-D166 PolarHBondContact NZ-OD1 3.19Å; V161-D166 HydrophobicContact CB-CB 4.25Å; V161-D166 HydrophobicContact CG1-CB 3.77Å; K162-D166 WeakPolarHBondContact CB-OD2 3.2Å; K162-D166 PolarHBondContact N-OD2 3.28Å; G163-D166 PolarHBondContact O-N 3.33Å; G163-D166 VanDerWaalsContact O-N 3.14Å; W164-D166 PolarHBondContact O-N 3.14Å
167W97.4Very high96Very high1 Ų158.2 Ų58.20%0.00433%0.325CS..Hα-helixtrans-80.3-43.5-175.1-174.395.2000112.7T151 W154 V161 G163 W164 M170 Q171 W209 L216 E260 F390T151-W167 HydrophobicContact CG2-CH2 3.81Å; T151-W167 HydrophobicContact CG2-CZ2 3.71Å; W154-W167 AromaticContact CE2-CD1 3.81Å; W154-W167 AromaticContact CE2-NE1 3.84Å; W154-W167 AromaticContact CZ2-CD1 3.67Å; W154-W167 AromaticContact CZ2-NE1 3.9Å; W154-W167 AromaticContact NE1-CD1 3.92Å; W154-W167 AromaticContact NE1-NE1 3.5Å; V161-W167 HydrophobicContact CG1-CB 3.9Å; G163-W167 PolarHBondContact O-N 2.75Å; G163-W167 VanDerWaalsContact O-N 3.12Å; W164-W167 HydrophobicContact CE3-CE3 4.05Å; W164-W167 HydrophobicContact CZ3-CD2 4.41Å; W164-W167 HydrophobicContact CZ3-CE3 4.02Å; W164-W167 HydrophobicContact CZ3-CZ3 4.29Å; W164-W167 PolarHBondContact O-N 2.8Å; W164-W167 VanDerWaalsContact O-N 3.14Å; W167-M170 HydrophobicContact CB-CE 4.22Å; W167-M170 HydrophobicContact CG-CE 4.1Å; W167-M170 WeakPolarHBondContact O-CB 3.34Å; W167-M170 PolarHBondContact O-N 3.44Å; W167-Q171 HydrophobicContact CD2-CG 4.2Å; W167-Q171 HydrophobicContact CE3-CG 3.87Å; W167-Q171 HydrophobicContact CH2-CG 3.39Å; W167-Q171 HydrophobicContact CZ2-CG 3.73Å; W167-Q171 HydrophobicContact CZ3-CB 4.48Å; W167-Q171 HydrophobicContact CZ3-CG 3.47Å; W167-Q171 VanDerWaalsContact CZ3-CG 3.47Å; W167-W209 HydrophobicContact CE3-CH2 4.25Å; W167-W209 AromaticContact CZ3-CH2 3.65Å; W167-W209 HydrophobicContact CZ3-CH2 3.65Å; W167-W209 AromaticContact CZ3-CZ3 3.98Å; W167-W209 HydrophobicContact CZ3-CZ3 3.98Å; W167-L216 HydrophobicContact CH2-CD1 3.36Å; W167-L216 HydrophobicContact CZ2-CD1 3.85Å; W167-L216 HydrophobicContact CZ2-CD2 4.3Å; W167-L216 HydrophobicContact CZ3-CD1 3.98Å; W167-E260 PolarHBondContact NE1-OE1 3.15Å; W167-F390 HydrophobicContact CB-CE1 4.3Å
168L96.8Very high96.2Very high54 Ų5456.7 Ų56.728%0.28331%0.31SS..G310 helixtrans-55.3-45.3-177.8-79.3168.6000113.3W164 M170 Q171 L174 W209W164-L168 HydrophobicContact CB-CD1 4.41Å; W164-L168 WeakPolarHBondContact O-CB 3.48Å; W164-L168 WeakPolarHBondContact O-CG 3.38Å; W164-L168 PolarHBondContact O-N 2.76Å; L168-M170 PolarHBondContact O-N 3.1Å; L168-M170 VanDerWaalsContact O-N 3.12Å; L168-Q171 PolarHBondContact O-N 3.34Å; L168-Q171 VanDerWaalsContact O-N 3.09Å; L168-L174 HydrophobicContact CD2-CD2 3.6Å; L168-W209 HydrophobicContact CD2-CH2 3.6Å; L168-W209 HydrophobicContact CD2-CZ2 3.56Å; L168-W209 HydrophobicContact CD2-CZ3 4.26Å; L168-W209 HydrophobicContact CG-CZ2 4.32Å
169P96.9Very high96.4Very high87 Ų8758.2 Ų58.257%0.56532%0.317SS*.G310 helixtrans-63.6-16.1177.5-23.535.4000114.6D165 Q171D165-P169 WeakPolarHBondContact O-CD 3.09Å; D165-P169 WeakPolarHBondContact O-CG 3.49Å; P169-Q171 VanDerWaalsContact C-N 3.26Å
170M96.8Very high96.7Very high5 Ų563.2 Ų63.23%0.02532%0.323CS..G310 helixtrans-80.7-6.4176.7-55.4-166.1-74.400113.2W154 S155 K156 V161 W167 L168W154-M170 HydrophobicContact CB-CE 4.27Å; W154-M170 HydrophobicContact CB-SD 4.07Å; W154-M170 HydrophobicContact CD2-CE 3.71Å; W154-M170 HydrophobicContact CE3-CE 3.95Å; W154-M170 HydrophobicContact CG-CE 3.84Å; W154-M170 HydrophobicContact CG-SD 4.3Å; S155-M170 WeakPolarHBondContact OG-CG 3.23Å; K156-M170 HydrophobicContact CB-SD 3.74Å; K156-M170 HydrophobicContact CD-CG 4.43Å; K156-M170 HydrophobicContact CD-SD 4.14Å; K156-M170 HydrophobicContact CG-CG 4.42Å; K156-M170 HydrophobicContact CG-SD 3.88Å; V161-M170 HydrophobicContact CG1-CE 4.01Å; V161-M170 HydrophobicContact CG2-CE 3.64Å; V161-M170 HydrophobicContact CG2-SD 4.14Å; W167-M170 HydrophobicContact CB-CE 4.22Å; W167-M170 HydrophobicContact CG-CE 4.1Å; W167-M170 WeakPolarHBondContact O-CB 3.34Å; W167-M170 PolarHBondContact O-N 3.44Å; L168-M170 PolarHBondContact O-N 3.1Å; L168-M170 VanDerWaalsContact O-N 3.12Å
171Q96.1Very high96.8Very high13 Ų1358.9 Ų58.96%0.06130%0.3CS..  trans-110.473.5-174-56.6-65.2-52.800110.4E152 W167 L168 P169 G173 L174E152-Q171 PolarHBondContact O-NE2 3.32Å; W167-Q171 HydrophobicContact CD2-CG 4.2Å; W167-Q171 HydrophobicContact CE3-CG 3.87Å; W167-Q171 HydrophobicContact CH2-CG 3.39Å; W167-Q171 HydrophobicContact CZ2-CG 3.73Å; W167-Q171 HydrophobicContact CZ3-CB 4.48Å; W167-Q171 HydrophobicContact CZ3-CG 3.47Å; W167-Q171 VanDerWaalsContact CZ3-CG 3.47Å; L168-Q171 PolarHBondContact O-N 3.34Å; L168-Q171 VanDerWaalsContact O-N 3.09Å; P169-Q171 VanDerWaalsContact C-N 3.26Å; Q171-G173 PolarHBondContact O-N 2.97Å; Q171-L174 HydrophobicContact CB-CB 3.93Å; Q171-L174 VanDerWaalsContact O-CB 3.25Å; Q171-L174 WeakPolarHBondContact O-CB 3.35Å; Q171-L174 PolarHBondContact O-N 2.92Å
172E93.4Very high96.8Very high176 Ų17659.1 Ų59.182%0.82230%0.301SS*.THydrogen-bonded Turntrans-61.2-34.6-173.4-64.4-176.1179.300112E152E152-E172 PolarHBondContact OE2-N 3.34Å; E152-E172 VanDerWaalsContact OE2-N 3.15Å
173G94.6Very high96.9Very high20 Ų2056.9 Ų56.921%0.20630%0.304CS..THydrogen-bonded Turntrans-83.12.4177.400000115.7E152 Q171 T175 Q176 S177E152-G173 VanDerWaalsContact OE1-CA 3.28Å; E152-G173 WeakPolarHBondContact OE1-CA 3.37Å; E152-G173 PolarHBondContact OE1-N 3.47Å; Q171-G173 PolarHBondContact O-N 2.97Å; G173-T175 PolarHBondContact O-N 3.42Å; G173-Q176 PolarHBondContact O-N 3.45Å; G173-Q176 VanDerWaalsContact O-N 3.17Å; G173-S177 PolarHBondContact O-N 2.87Å; G173-S177 PolarHBondContact O-OG 3.08Å
174L95.5Very high97Very high24 Ų2457.5 Ų57.513%0.12631%0.307CS..Hα-helixtrans-55.9-48.9-175.5178.959.2000112.1F149 L168 Q171 Q176 S177 L178 W209F149-L174 HydrophobicContact CE2-CD1 3.84Å; F149-L174 HydrophobicContact CZ-CD1 3.74Å; L168-L174 HydrophobicContact CD2-CD2 3.6Å; Q171-L174 HydrophobicContact CB-CB 3.93Å; Q171-L174 VanDerWaalsContact O-CB 3.25Å; Q171-L174 WeakPolarHBondContact O-CB 3.35Å; Q171-L174 PolarHBondContact O-N 2.92Å; L174-Q176 VanDerWaalsContact C-N 3.31Å; L174-Q176 PolarHBondContact O-N 3.5Å; L174-S177 WeakPolarHBondContact O-CB 3.48Å; L174-S177 PolarHBondContact O-N 3.37Å; L174-S177 VanDerWaalsContact O-N 3.11Å; L174-L178 HydrophobicContact CD1-CD1 4.38Å; L174-L178 HydrophobicContact CD1-CG 4.21Å; L174-L178 HydrophobicContact CG-CD1 4.15Å; L174-L178 HydrophobicContact CG-CG 4.42Å; L174-L178 WeakPolarHBondContact O-CG 3.43Å; L174-L178 PolarHBondContact O-N 3.31Å; L174-W209 HydrophobicContact CD1-CE3 4.05Å; L174-W209 HydrophobicContact CD1-CZ3 4.08Å; L174-W209 HydrophobicContact CD2-CE3 4.21Å; L174-W209 HydrophobicContact CD2-CZ3 4.13Å
175T96.3Very high96.9Very high92 Ų9260.4 Ų60.456%0.56434%0.336SS*.Hα-helixtrans-57.9-43.7179.7-55.10000111.6G173 S177 L178 D179G173-T175 PolarHBondContact O-N 3.42Å; T175-S177 VanDerWaalsContact C-N 3.34Å; T175-S177 PolarHBondContact O-N 2.82Å; T175-L178 PolarHBondContact O-N 3.07Å; T175-D179 WeakPolarHBondContact O-CB 3.43Å; T175-D179 PolarHBondContact O-N 3.45Å
176Q97.5Very high96.9Very high129 Ų12955.9 Ų55.960%0.60331%0.311SS*.Hα-helixtrans-64.8-39.1178-174-177.463.600111.8G173 L174 D179 R180G173-Q176 PolarHBondContact O-N 3.45Å; G173-Q176 VanDerWaalsContact O-N 3.17Å; L174-Q176 VanDerWaalsContact C-N 3.31Å; L174-Q176 PolarHBondContact O-N 3.5Å; Q176-D179 PolarHBondContact O-N 3.19Å; Q176-R180 WeakPolarHBondContact O-CB 3.46Å; Q176-R180 PolarHBondContact O-N 3.39Å
177S97.5Very high96.8Very high22 Ų2253.7 Ų53.715%0.15430%0.299CS..Hα-helixtrans-64.8-43.4175.9-68.10000111.8G173 L174 T175 R180 V181G173-S177 PolarHBondContact O-N 2.87Å; G173-S177 PolarHBondContact O-OG 3.08Å; L174-S177 WeakPolarHBondContact O-CB 3.48Å; L174-S177 PolarHBondContact O-N 3.37Å; L174-S177 VanDerWaalsContact O-N 3.11Å; T175-S177 VanDerWaalsContact C-N 3.34Å; T175-S177 PolarHBondContact O-N 2.82Å; S177-R180 PolarHBondContact O-N 3.22Å; S177-V181 PolarHBondContact O-N 3.29Å; S177-V181 VanDerWaalsContact O-N 3.15Å
178L97.9Very high96.7Very high19 Ų1956.8 Ų56.810%0.09933%0.325CS..Hα-helixtrans-60.5-47.1174.3-65.7174.1000111.4F149 L174 T175 R180 V181 L182 I208 W209F149-L178 HydrophobicContact CE1-CD2 3.99Å; F149-L178 HydrophobicContact CZ-CD2 3.94Å; F149-L178 HydrophobicContact CZ-CG 4.46Å; L174-L178 HydrophobicContact CD1-CD1 4.38Å; L174-L178 HydrophobicContact CD1-CG 4.21Å; L174-L178 HydrophobicContact CG-CD1 4.15Å; L174-L178 HydrophobicContact CG-CG 4.42Å; L174-L178 WeakPolarHBondContact O-CG 3.43Å; L174-L178 PolarHBondContact O-N 3.31Å; T175-L178 PolarHBondContact O-N 3.07Å; L178-R180 VanDerWaalsContact C-N 3.3Å; L178-R180 PolarHBondContact O-N 3.48Å; L178-V181 PolarHBondContact O-N 3.3Å; L178-L182 WeakPolarHBondContact O-CB 3.24Å; L178-L182 PolarHBondContact O-N 2.92Å; L178-I208 HydrophobicContact CD2-CB 3.98Å; L178-I208 HydrophobicContact CD2-CG2 3.5Å; L178-I208 VanDerWaalsContact CD2-CG2 3.5Å; L178-W209 HydrophobicContact CD2-CB 4.13Å
179D97.9Very high96.6Very high52 Ų5255.4 Ų55.428%0.27832%0.322SS..Hα-helixtrans-64.3-33.8178.9-77.1-29.4000112.7T175 Q176 L182 S183 R205T175-D179 WeakPolarHBondContact O-CB 3.43Å; T175-D179 PolarHBondContact O-N 3.45Å; Q176-D179 PolarHBondContact O-N 3.19Å; D179-L182 PolarHBondContact O-N 3.44Å; D179-S183 VanDerWaalsContact O-CB 3.29Å; D179-S183 WeakPolarHBondContact O-CB 3.33Å; D179-S183 PolarHBondContact O-N 3.27Å; D179-S183 PolarHBondContact O-OG 3.25Å; D179-R205 IonicContact OD1-CZ 2.93Å; D179-R205 VanDerWaalsContact OD1-CZ 3.26Å; D179-R205 IonicContact OD1-NE 3.87Å; D179-R205 PolarHBondContact OD1-NE 3.17Å; D179-R205 IonicContact OD1-NH2 3.38Å; D179-R205 PolarHBondContact OD1-NH2 2.94Å
180R98.1Very high96.4Very high163 Ų16351.2 Ų51.262%0.61530%0.295SS*.Hα-helixtrans-64-45.5174.8-174.1-174.8-63.31573.9111.5Q176 S177 L178 S183 S184Q176-R180 WeakPolarHBondContact O-CB 3.46Å; Q176-R180 PolarHBondContact O-N 3.39Å; S177-R180 PolarHBondContact O-N 3.22Å; L178-R180 VanDerWaalsContact C-N 3.3Å; L178-R180 PolarHBondContact O-N 3.48Å; R180-S183 PolarHBondContact O-N 3.42Å; R180-S184 PolarHBondContact O-N 3.37Å
181V98Very high96.3Very high8 Ų852 Ų525%0.04830%0.297CS..Hα-helixtrans-66.2-43.3176.1176.50000110.4L141 D146 L147 F149 S177 L178 S183 S184 I208L141-V181 HydrophobicContact CD1-CG1 3.76Å; D146-V181 HydrophobicContact CB-CG1 4.26Å; L147-V181 HydrophobicContact CD2-CG2 4.48Å; F149-V181 HydrophobicContact CD1-CG2 4Å; S177-V181 PolarHBondContact O-N 3.29Å; S177-V181 VanDerWaalsContact O-N 3.15Å; L178-V181 PolarHBondContact O-N 3.3Å; V181-S183 VanDerWaalsContact C-N 3.25Å; V181-S183 PolarHBondContact O-N 3.39Å; V181-S184 WeakPolarHBondContact O-CB 3.42Å; V181-S184 PolarHBondContact O-N 3.35Å; V181-S184 VanDerWaalsContact O-N 3.12Å; V181-S184 PolarHBondContact O-OG 3Å; V181-I208 HydrophobicContact CB-CD1 4.1Å; V181-I208 HydrophobicContact CB-CG2 4.15Å; V181-I208 HydrophobicContact CG1-CD1 3.86Å; V181-I208 HydrophobicContact CG1-CG1 4Å; V181-I208 HydrophobicContact CG1-CG2 3.99Å
182L98Very high96.3Very high11 Ų1160 Ų606%0.05833%0.332CS..Hα-helixtrans-58.6-37.8177.5-17965.7000112.5L178 D179 S184 M187 D201 L204 R205 I208L178-L182 WeakPolarHBondContact O-CB 3.24Å; L178-L182 PolarHBondContact O-N 2.92Å; D179-L182 PolarHBondContact O-N 3.44Å; L182-S184 VanDerWaalsContact C-N 3.3Å; L182-M187 HydrophobicContact CD1-CE 4.41Å; L182-M187 VanDerWaalsContact O-CG 3.29Å; L182-M187 WeakPolarHBondContact O-CG 3.38Å; L182-D201 HydrophobicContact CD2-CB 3.99Å; L182-L204 HydrophobicContact CD1-CB 3.56Å; L182-L204 HydrophobicContact CD1-CD1 3.81Å; L182-L204 HydrophobicContact CD1-CG 4.35Å; L182-R205 HydrophobicContact CD2-CG 3.99Å; L182-I208 HydrophobicContact CB-CD1 4.02Å
183S97.6Very high96.2Very high99 Ų9953.4 Ų53.469%0.69230%0.302SS*.THydrogen-bonded Turntrans-874.4-178.8-53.90000113.5D179 R180 V181D179-S183 VanDerWaalsContact O-CB 3.29Å; D179-S183 WeakPolarHBondContact O-CB 3.33Å; D179-S183 PolarHBondContact O-N 3.27Å; D179-S183 PolarHBondContact O-OG 3.25Å; R180-S183 PolarHBondContact O-N 3.42Å; V181-S183 VanDerWaalsContact C-N 3.25Å; V181-S183 PolarHBondContact O-N 3.39Å
184S97.6Very high95.9Very high20 Ų2053.1 Ų53.114%0.1430%0.298CS..SBendtrans-74153.1-173.4970000112.9D146 R180 V181 L182 N186 M187 A188D146-S184 WeakPolarHBondContact OD1-CB 3.43Å; D146-S184 PolarHBondContact OD1-OG 3.06Å; R180-S184 PolarHBondContact O-N 3.37Å; V181-S184 WeakPolarHBondContact O-CB 3.42Å; V181-S184 PolarHBondContact O-N 3.35Å; V181-S184 VanDerWaalsContact O-N 3.12Å; V181-S184 PolarHBondContact O-OG 3Å; L182-S184 VanDerWaalsContact C-N 3.3Å; S184-N186 PolarHBondContact O-N 2.97Å; S184-N186 PolarHBondContact OG-N 2.9Å; S184-M187 PolarHBondContact O-N 2.78Å; S184-M187 PolarHBondContact OG-N 2.93Å; S184-M187 VanDerWaalsContact OG-N 3.15Å; S184-A188 PolarHBondContact O-N 3.27Å; S184-A188 VanDerWaalsContact O-N 3.14Å
185A97.1Very high95.4Very high82 Ų8255.2 Ų55.268%0.67833%0.325SS*.Hα-helixtrans-61.5-30.9175.600000112A188 A189A185-A188 PolarHBondContact O-N 3.29Å; A185-A189 WeakPolarHBondContact O-CB 3.39Å; A185-A189 PolarHBondContact O-N 3.26Å
186N95.8Very high95Very high49 Ų4952.3 Ų52.326%0.26230%0.304SS..Hα-helixtrans-69.6-42.9176.1-64.1-39.9000110.6W140 L141 T144 D146 S184 A188 A189 L190W140-N186 HydrophobicContact CH2-CB 4.45Å; W140-N186 HydrophobicContact CZ3-CB 4.08Å; W140-N186 WeakPolarHBondContact CZ3-O 3.5Å; L141-N186 HydrophobicContact CD2-CB 3.68Å; T144-N186 WeakPolarHBondContact CB-ND2 3.45Å; T144-N186 HydrophobicContact CG2-CB 4.27Å; D146-N186 WeakPolarHBondContact OD2-CB 3.47Å; D146-N186 PolarHBondContact OD2-ND2 3.04Å; S184-N186 PolarHBondContact O-N 2.97Å; S184-N186 PolarHBondContact OG-N 2.9Å; N186-A188 VanDerWaalsContact C-N 3.29Å; N186-A188 PolarHBondContact O-N 2.85Å; N186-A189 PolarHBondContact O-N 3.33Å; N186-A189 VanDerWaalsContact O-N 3.1Å; N186-L190 WeakPolarHBondContact O-CB 3.41Å; N186-L190 PolarHBondContact O-N 3.07Å
187M96.4Very high94.7Very high1 Ų152.3 Ų52.31%0.00531%0.313CS..Hα-helixtrans-57.3-42.5173-178.362.983.900111.9V138 L141 L182 S184 L190 W191 L204 I208V138-M187 HydrophobicContact CG1-CE 4.37Å; L141-M187 HydrophobicContact CD1-CE 3.62Å; L141-M187 HydrophobicContact CD1-SD 4.34Å; L182-M187 HydrophobicContact CD1-CE 4.41Å; L182-M187 VanDerWaalsContact O-CG 3.29Å; L182-M187 WeakPolarHBondContact O-CG 3.38Å; S184-M187 PolarHBondContact O-N 2.78Å; S184-M187 PolarHBondContact OG-N 2.93Å; S184-M187 VanDerWaalsContact OG-N 3.15Å; M187-L190 WeakPolarHBondContact O-CB 3.4Å; M187-L190 HydrophobicContact SD-CD2 4.13Å; M187-W191 VanDerWaalsContact O-CD1 3.27Å; M187-W191 PolarHBondContact O-N 3.09Å; M187-W191 PolarHBondContact SD-NE1 3.48Å; M187-L204 HydrophobicContact SD-CD1 4.37Å; M187-I208 HydrophobicContact CE-CD1 3.75Å; M187-I208 HydrophobicContact CE-CG1 3.97Å
188A95.4Very high94.6Very high66 Ų6655.9 Ų55.955%0.54532%0.323SS..Hα-helixtrans-64.9-42.1174.900000112.4S184 A185 N186 K192S184-A188 PolarHBondContact O-N 3.27Å; S184-A188 VanDerWaalsContact O-N 3.14Å; A185-A188 PolarHBondContact O-N 3.29Å; N186-A188 VanDerWaalsContact C-N 3.29Å; N186-A188 PolarHBondContact O-N 2.85Å; A188-K192 WeakPolarHBondContact O-CB 3.3Å; A188-K192 PolarHBondContact O-N 3.39Å; A188-K192 VanDerWaalsContact O-N 3.14Å
189A94Very high94.5Very high25 Ų2555.9 Ų55.921%0.20732%0.324CS..Hα-helixtrans-65.6-38.8178.200000112.6W140 A185 N186 K192 N193W140-A189 HydrophobicContact CH2-CB 4.45Å; A185-A189 WeakPolarHBondContact O-CB 3.39Å; A185-A189 PolarHBondContact O-N 3.26Å; N186-A189 PolarHBondContact O-N 3.33Å; N186-A189 VanDerWaalsContact O-N 3.1Å; A189-K192 PolarHBondContact O-N 2.87Å; A189-N193 PolarHBondContact O-N 2.97Å; A189-N193 PolarHBondContact O-ND2 2.8Å
190L93.9Very high94.5Very high0 Ų060.2 Ų60.20%034%0.343CS..Hα-helixtrans-51.8-60.3175.8174.873.5000110F72 L137 V138 W140 N186 M187 K192 N193 A194F72-L190 HydrophobicContact CD1-CD1 4.43Å; F72-L190 HydrophobicContact CE1-CD1 3.48Å; F72-L190 VanDerWaalsContact CE1-CD1 3.48Å; F72-L190 HydrophobicContact CE2-CD1 4.25Å; F72-L190 HydrophobicContact CZ-CD1 3.38Å; L137-L190 HydrophobicContact CB-CD1 4.16Å; L137-L190 HydrophobicContact CB-CD2 4.29Å; L137-L190 WeakPolarHBondContact O-CD1 3.47Å; V138-L190 HydrophobicContact CG2-CD2 4.33Å; W140-L190 HydrophobicContact CB-CD1 4.08Å; W140-L190 HydrophobicContact CD2-CD1 4.25Å; W140-L190 HydrophobicContact CE3-CB 3.91Å; W140-L190 HydrophobicContact CE3-CD1 3.73Å; W140-L190 HydrophobicContact CE3-CG 4.39Å; W140-L190 HydrophobicContact CG-CD1 4.43Å; W140-L190 HydrophobicContact CZ3-CB 3.93Å; W140-L190 HydrophobicContact CZ3-CD1 4.5Å; N186-L190 WeakPolarHBondContact O-CB 3.41Å; N186-L190 PolarHBondContact O-N 3.07Å; M187-L190 WeakPolarHBondContact O-CB 3.4Å; M187-L190 HydrophobicContact SD-CD2 4.13Å; L190-K192 VanDerWaalsContact C-N 3.33Å; L190-K192 PolarHBondContact O-N 2.98Å; L190-N193 CarbonylContact O-C 3.47Å; L190-N193 PolarHBondContact O-N 3.5Å; L190-A194 WeakPolarHBondContact O-CB 3.41Å; L190-A194 PolarHBondContact O-N 3.49Å
191W94.7Very high94.5Very high21 Ų2155.5 Ų55.58%0.0833%0.33CS..Hα-helixtrans-72.7-26.1-173.7-65.8111.9000113.6I134 L137 V138 M187 N193 A194 R196 R198 P199 L204I134-W191 HydrophobicContact CG2-CH2 4.47Å; I134-W191 HydrophobicContact CG2-CZ2 4.36Å; L137-W191 HydrophobicContact CB-CH2 4.07Å; L137-W191 HydrophobicContact CB-CZ2 4.48Å; L137-W191 HydrophobicContact CD1-CE3 4.38Å; L137-W191 HydrophobicContact CD1-CH2 3.61Å; L137-W191 HydrophobicContact CD1-CZ3 3.44Å; L137-W191 VanDerWaalsContact CD1-CZ3 3.44Å; V138-W191 HydrophobicContact CG2-CZ2 4.2Å; M187-W191 VanDerWaalsContact O-CD1 3.27Å; M187-W191 PolarHBondContact O-N 3.09Å; M187-W191 PolarHBondContact SD-NE1 3.48Å; W191-N193 PolarHBondContact O-N 3.18Å; W191-A194 HydrophobicContact CE3-CB 4.16Å; W191-A194 HydrophobicContact CZ3-CB 4.44Å; W191-R196 HydrophobicContact CZ3-CB 4.31Å; W191-R198 HydrophobicContact CB-CB 4.04Å; W191-R198 HydrophobicContact CB-CG 4.05Å; W191-R198 HydrophobicContact CD2-CB 4.25Å; W191-R198 HydrophobicContact CD2-CG 4.04Å; W191-R198 HydrophobicContact CG-CB 4Å; W191-R198 HydrophobicContact CG-CG 3.64Å; W191-P199 HydrophobicContact CH2-CG 3.9Å; W191-P199 HydrophobicContact CZ2-CG 4.06Å; W191-P199 HydrophobicContact CZ3-CG 4.43Å; W191-L204 HydrophobicContact CZ2-CD2 3.47Å; W191-L204 VanDerWaalsContact CZ2-CD2 3.47Å
192K94.1Very high94.4Very high180 Ų18060.4 Ų60.478%0.78336%0.356SS*.Hα-helixtrans-62.2-31.6169.3-176.6176.9178179.40112.3A188 A189 L190A188-K192 WeakPolarHBondContact O-CB 3.3Å; A188-K192 PolarHBondContact O-N 3.39Å; A188-K192 VanDerWaalsContact O-N 3.14Å; A189-K192 PolarHBondContact O-N 2.87Å; L190-K192 VanDerWaalsContact C-N 3.33Å; L190-K192 PolarHBondContact O-N 2.98Å
193N92.4Very high94.4Very high38 Ų3861.9 Ų61.920%0.20336%0.364CS..Hα-helixtrans-107.5-18.6-172.8-68.1-72.3000114.4K69 F72 A189 L190 W191 G195K69-N193 HydrophobicContact CB-CB 4.43Å; F72-N193 HydrophobicContact CD2-CB 3.73Å; F72-N193 HydrophobicContact CE2-CB 4.01Å; A189-N193 PolarHBondContact O-N 2.97Å; A189-N193 PolarHBondContact O-ND2 2.8Å; L190-N193 CarbonylContact O-C 3.47Å; L190-N193 PolarHBondContact O-N 3.5Å; W191-N193 PolarHBondContact O-N 3.18Å; N193-G195 PolarHBondContact O-N 2.94Å; N193-G195 VanDerWaalsContact O-N 3.13Å
194A88.8Confident94.5Very high14 Ų1457.1 Ų57.112%0.11633%0.331CS..SBendtrans-65.4-14.8-175.900000114.6L137 L190 W191 R196L137-A194 HydrophobicContact CD1-CB 3.89Å; L137-A194 HydrophobicContact CD2-CB 4.26Å; L190-A194 WeakPolarHBondContact O-CB 3.41Å; L190-A194 PolarHBondContact O-N 3.49Å; W191-A194 HydrophobicContact CE3-CB 4.16Å; W191-A194 HydrophobicContact CZ3-CB 4.44Å; A194-R196 PolarHBondContact O-N 3.5Å
195G85.3Confident94.5Very high68 Ų6859.3 Ų59.370%0.70134%0.336SS*.SBendtrans63.826.5-17700000113.2N193N193-G195 PolarHBondContact O-N 2.94Å; N193-G195 VanDerWaalsContact O-N 3.13Å
196R86.5Confident94.5Very high31 Ų3160.5 Ų60.512%0.11733%0.327CS..SBendtrans-130.5153.8179.8-64.6-173.1-178.9-130.3-9.5109.9E76 L105 W191 A194 R198E76-R196 IonicContact OE1-NH2 2.72Å; E76-R196 PolarHBondContact OE1-NH2 3.49Å; E76-R196 IonicContact OE2-CZ 3.17Å; E76-R196 IonicContact OE2-NE 2.82Å; E76-R196 PolarHBondContact OE2-NE 3.3Å; E76-R196 IonicContact OE2-NH2 2.7Å; E76-R196 PolarHBondContact OE2-NH2 3.07Å; L105-R196 PolarHBondContact O-NH1 3.29Å; L105-R196 PolarHBondContact O-NH2 3.32Å; W191-R196 HydrophobicContact CZ3-CB 4.31Å; A194-R196 PolarHBondContact O-N 3.5Å; R196-R198 PolarHBondContact O-N 3.07Å
197T91.4Very high94.7Very high129 Ų12958.1 Ų58.179%0.79132%0.315SS*.PPolyproline II helixtrans-63.7130.9167.6-49.70000108.8
198R95.3Very high94.8Very high98 Ų9858.1 Ų58.137%0.3731%0.314SS..PPolyproline II helixtrans-63.4129.9174.4-175.7178.4174.2-85.911.1109.3W191 R196 D201 L204W191-R198 HydrophobicContact CB-CB 4.04Å; W191-R198 HydrophobicContact CB-CG 4.05Å; W191-R198 HydrophobicContact CD2-CB 4.25Å; W191-R198 HydrophobicContact CD2-CG 4.04Å; W191-R198 HydrophobicContact CG-CB 4Å; W191-R198 HydrophobicContact CG-CG 3.64Å; R196-R198 PolarHBondContact O-N 3.07Å; R198-D201 IonicContact CZ-OD1 2.68Å; R198-D201 IonicContact NH1-OD1 3.38Å; R198-D201 PolarHBondContact NH1-OD1 2.9Å; R198-D201 IonicContact NH2-OD1 2.81Å; R198-D201 PolarHBondContact NH2-OD1 3.19Å; R198-L204 HydrophobicContact CG-CD1 4.06Å; R198-L204 VanDerWaalsContact CZ-CD1 3.45Å
199P96.4Very high94.9Very high19 Ų1955.7 Ų55.712%0.12329%0.291CS..PPolyproline II helixtrans-61.9168.5170.6-20.632.1000112.8I134 W191 D203 L204I134-P199 HydrophobicContact CD1-CB 4.13Å; I134-P199 HydrophobicContact CD1-CG 3.86Å; I134-P199 HydrophobicContact CG1-CG 3.87Å; I134-P199 HydrophobicContact CG2-CG 4.18Å; W191-P199 HydrophobicContact CH2-CG 3.9Å; W191-P199 HydrophobicContact CZ2-CG 4.06Å; W191-P199 HydrophobicContact CZ3-CG 4.43Å; P199-D203 HydrophobicContact CB-CB 3.8Å; P199-L204 HydrophobicContact CB-CD2 4.2Å; P199-L204 HydrophobicContact CB-CG 4.21Å; P199-L204 HydrophobicContact CG-CD2 4Å
200E97.1Very high95.1Very high143 Ų14355.3 Ų55.367%0.66828%0.284SS*.PPolyproline II helixtrans-65157171.3-60.5-56.4143.100110.8D202 D203 L204E200-D202 VanDerWaalsContact C-N 3.25Å; E200-D202 PolarHBondContact O-N 3.2Å; E200-D203 WeakPolarHBondContact O-CB 3.24Å; E200-D203 PolarHBondContact O-N 3.11Å; E200-D203 VanDerWaalsContact O-N 3.14Å; E200-L204 PolarHBondContact O-N 3.05Å; E200-L204 VanDerWaalsContact O-N 3.16Å
201D97.9Very high95.3Very high64 Ų6455.3 Ų55.334%0.34229%0.285SS..Hα-helixtrans-59-37.2-176.4-773.6000112.6L182 R198 L204 R205L182-D201 HydrophobicContact CD2-CB 3.99Å; R198-D201 IonicContact CZ-OD1 2.68Å; R198-D201 IonicContact NH1-OD1 3.38Å; R198-D201 PolarHBondContact NH1-OD1 2.9Å; R198-D201 IonicContact NH2-OD1 2.81Å; R198-D201 PolarHBondContact NH2-OD1 3.19Å; D201-L204 PolarHBondContact O-N 3.16Å; D201-R205 WeakPolarHBondContact O-CG 3.37Å; D201-R205 PolarHBondContact O-N 3.28Å
202D97.8Very high95.4Very high111 Ų11154.4 Ų54.459%0.59428%0.281SS*.Hα-helixtrans-66.5-41178.3-64.4-17.3000111.8E200 L204 R205 E206E200-D202 VanDerWaalsContact C-N 3.25Å; E200-D202 PolarHBondContact O-N 3.2Å; D202-L204 PolarHBondContact O-N 2.67Å; D202-R205 PolarHBondContact O-N 3.4Å; D202-R205 IonicContact OD1-NH1 3.22Å; D202-R205 PolarHBondContact OD1-NH1 2.81Å; D202-E206 WeakPolarHBondContact O-CB 3.39Å; D202-E206 VanDerWaalsContact O-CG 3.29Å; D202-E206 WeakPolarHBondContact O-CG 3.46Å; D202-E206 PolarHBondContact O-N 3.39Å
203D97.5Very high95.6Very high41 Ų4145.9 Ų45.922%0.21924%0.244CC..Hα-helixtrans-60.2-36.5174.2-81.4-24.3000111.2R130 I134 P199 E200 S207R130-D203 IonicContact CZ-OD2 2.99Å; R130-D203 IonicContact NH2-OD2 3.37Å; R130-D203 PolarHBondContact NH2-OD2 3.01Å; I134-D203 HydrophobicContact CD1-CB 4.26Å; P199-D203 HydrophobicContact CB-CB 3.8Å; E200-D203 WeakPolarHBondContact O-CB 3.24Å; E200-D203 PolarHBondContact O-N 3.11Å; E200-D203 VanDerWaalsContact O-N 3.14Å; D203-S207 WeakPolarHBondContact O-CB 3.49Å; D203-S207 PolarHBondContact O-N 3.1Å; D203-S207 VanDerWaalsContact O-N 3.08Å
204L98.3Very high95.7Very high0 Ų044.5 Ų44.50%024%0.237CC..Hα-helixtrans-75.3-40.9179.1-67.4177.4000112.5I134 V138 L182 M187 W191 R198 P199 E200 D201 D202 E206 S207 I208I134-L204 HydrophobicContact CG2-CD2 4.02Å; V138-L204 HydrophobicContact CG2-CD2 4.14Å; L182-L204 HydrophobicContact CD1-CB 3.56Å; L182-L204 HydrophobicContact CD1-CD1 3.81Å; L182-L204 HydrophobicContact CD1-CG 4.35Å; M187-L204 HydrophobicContact SD-CD1 4.37Å; W191-L204 HydrophobicContact CZ2-CD2 3.47Å; W191-L204 VanDerWaalsContact CZ2-CD2 3.47Å; R198-L204 HydrophobicContact CG-CD1 4.06Å; R198-L204 VanDerWaalsContact CZ-CD1 3.45Å; P199-L204 HydrophobicContact CB-CD2 4.2Å; P199-L204 HydrophobicContact CB-CG 4.21Å; P199-L204 HydrophobicContact CG-CD2 4Å; E200-L204 PolarHBondContact O-N 3.05Å; E200-L204 VanDerWaalsContact O-N 3.16Å; D201-L204 PolarHBondContact O-N 3.16Å; D202-L204 PolarHBondContact O-N 2.67Å; L204-E206 VanDerWaalsContact C-N 3.3Å; L204-E206 PolarHBondContact O-N 2.71Å; L204-S207 WeakPolarHBondContact O-CB 3.46Å; L204-S207 PolarHBondContact O-N 2.87Å; L204-S207 VanDerWaalsContact O-N 3.14Å; L204-I208 VanDerWaalsContact O-CG1 3.24Å; L204-I208 WeakPolarHBondContact O-CG1 3.42Å; L204-I208 PolarHBondContact O-N 2.92Å
205R98.3Very high96Very high66 Ų6646.1 Ų46.125%0.24924%0.241CC..Hα-helixtrans-56.8-47.5173-74.2-177.6-177.697.48.1111.1D179 L182 D201 D202 S207 I208 W209D179-R205 IonicContact OD1-CZ 2.93Å; D179-R205 VanDerWaalsContact OD1-CZ 3.26Å; D179-R205 IonicContact OD1-NE 3.87Å; D179-R205 PolarHBondContact OD1-NE 3.17Å; D179-R205 IonicContact OD1-NH2 3.38Å; D179-R205 PolarHBondContact OD1-NH2 2.94Å; L182-R205 HydrophobicContact CD2-CG 3.99Å; D201-R205 WeakPolarHBondContact O-CG 3.37Å; D201-R205 PolarHBondContact O-N 3.28Å; D202-R205 PolarHBondContact O-N 3.4Å; D202-R205 IonicContact OD1-NH1 3.22Å; D202-R205 PolarHBondContact OD1-NH1 2.81Å; R205-S207 VanDerWaalsContact C-N 3.28Å; R205-S207 PolarHBondContact O-N 2.93Å; R205-I208 PolarHBondContact O-N 3.43Å; R205-W209 PolarHBondContact O-N 3.03Å
206E98.3Very high96.6Very high106 Ų10643.3 Ų43.350%0.49521%0.21SC..Hα-helixtrans-62.6-36.2177-70.7-61.5134.500111.9D202 L204 R210D202-E206 WeakPolarHBondContact O-CB 3.39Å; D202-E206 VanDerWaalsContact O-CG 3.29Å; D202-E206 WeakPolarHBondContact O-CG 3.46Å; D202-E206 PolarHBondContact O-N 3.39Å; L204-E206 VanDerWaalsContact C-N 3.3Å; L204-E206 PolarHBondContact O-N 2.71Å; E206-R210 WeakPolarHBondContact O-CG 3.36Å; E206-R210 PolarHBondContact O-N 3.32Å; E206-R210 PolarHBondContact O-NH1 2.85Å
207S98.6Very high97.2Very high0 Ų041.8 Ų41.80%020%0.204CC..Hα-helixtrans-67-45.7175-172.60000112.8D135 V138 D203 L204 R205 W209 R210 I211D135-S207 WeakPolarHBondContact CA-OG 3.37Å; D135-S207 WeakPolarHBondContact OD1-CA 3.29Å; D135-S207 VanDerWaalsContact OD1-CB 3.24Å; D135-S207 WeakPolarHBondContact OD1-CB 3.33Å; D135-S207 PolarHBondContact OD1-OG 2.87Å; V138-S207 WeakPolarHBondContact CB-OG 3.29Å; V138-S207 WeakPolarHBondContact CG2-OG 3.44Å; D203-S207 WeakPolarHBondContact O-CB 3.49Å; D203-S207 PolarHBondContact O-N 3.1Å; D203-S207 VanDerWaalsContact O-N 3.08Å; L204-S207 WeakPolarHBondContact O-CB 3.46Å; L204-S207 PolarHBondContact O-N 2.87Å; L204-S207 VanDerWaalsContact O-N 3.14Å; R205-S207 VanDerWaalsContact C-N 3.28Å; R205-S207 PolarHBondContact O-N 2.93Å; S207-W209 VanDerWaalsContact C-N 3.28Å; S207-W209 PolarHBondContact O-N 2.78Å; S207-R210 VanDerWaalsContact CA-NH2 3.3Å; S207-R210 PolarHBondContact O-N 2.85Å; S207-I211 WeakPolarHBondContact O-CD1 3.16Å; S207-I211 WeakPolarHBondContact O-CG1 3.49Å; S207-I211 PolarHBondContact O-N 2.8Å
208I98.6Very high97.4Very high0 Ų037.3 Ų37.30%017%0.173CC..Hα-helixtrans-57.3-46.2175.1-64.6160.8000109.5V138 L147 F149 L178 V181 L182 M187 L204 R205 I211 Q212V138-I208 HydrophobicContact CG1-CG1 3.96Å; L147-I208 HydrophobicContact CD1-CG2 4.48Å; L147-I208 HydrophobicContact CD2-CG2 4.05Å; F149-I208 HydrophobicContact CE1-CG2 4.11Å; L178-I208 HydrophobicContact CD2-CB 3.98Å; L178-I208 HydrophobicContact CD2-CG2 3.5Å; L178-I208 VanDerWaalsContact CD2-CG2 3.5Å; V181-I208 HydrophobicContact CB-CD1 4.1Å; V181-I208 HydrophobicContact CB-CG2 4.15Å; V181-I208 HydrophobicContact CG1-CD1 3.86Å; V181-I208 HydrophobicContact CG1-CG1 4Å; V181-I208 HydrophobicContact CG1-CG2 3.99Å; L182-I208 HydrophobicContact CB-CD1 4.02Å; M187-I208 HydrophobicContact CE-CD1 3.75Å; M187-I208 HydrophobicContact CE-CG1 3.97Å; L204-I208 VanDerWaalsContact O-CG1 3.24Å; L204-I208 WeakPolarHBondContact O-CG1 3.42Å; L204-I208 PolarHBondContact O-N 2.92Å; R205-I208 PolarHBondContact O-N 3.43Å; I208-I211 PolarHBondContact O-N 2.97Å; I208-Q212 WeakPolarHBondContact O-CB 3.46Å; I208-Q212 PolarHBondContact O-N 3.33Å
209W98.3Very high97.5Very high15 Ų1532.8 Ų32.86%0.05716%0.156CC..Hα-helixtrans-63.3-45.6177.9171.3-117.4000112.5W164 W167 L168 L174 L178 R205 S207 I211 Q212 S213 L216W164-W209 AromaticContact CE3-CH2 3.93Å; W164-W209 HydrophobicContact CE3-CH2 3.93Å; W164-W209 AromaticContact CE3-CZ2 3.9Å; W164-W209 HydrophobicContact CE3-CZ2 3.9Å; W164-W209 HydrophobicContact CH2-CH2 4.47Å; W164-W209 AromaticContact CZ3-CH2 3.66Å; W164-W209 HydrophobicContact CZ3-CH2 3.66Å; W164-W209 AromaticContact CZ3-CZ2 3.99Å; W164-W209 HydrophobicContact CZ3-CZ2 3.99Å; W167-W209 HydrophobicContact CE3-CH2 4.25Å; W167-W209 AromaticContact CZ3-CH2 3.65Å; W167-W209 HydrophobicContact CZ3-CH2 3.65Å; W167-W209 AromaticContact CZ3-CZ3 3.98Å; W167-W209 HydrophobicContact CZ3-CZ3 3.98Å; L168-W209 HydrophobicContact CD2-CH2 3.6Å; L168-W209 HydrophobicContact CD2-CZ2 3.56Å; L168-W209 HydrophobicContact CD2-CZ3 4.26Å; L168-W209 HydrophobicContact CG-CZ2 4.32Å; L174-W209 HydrophobicContact CD1-CE3 4.05Å; L174-W209 HydrophobicContact CD1-CZ3 4.08Å; L174-W209 HydrophobicContact CD2-CE3 4.21Å; L174-W209 HydrophobicContact CD2-CZ3 4.13Å; L178-W209 HydrophobicContact CD2-CB 4.13Å; R205-W209 PolarHBondContact O-N 3.03Å; S207-W209 VanDerWaalsContact C-N 3.28Å; S207-W209 PolarHBondContact O-N 2.78Å; W209-I211 VanDerWaalsContact C-N 3.3Å; W209-I211 PolarHBondContact O-N 3.4Å; W209-Q212 HydrophobicContact CE3-CB 4.3Å; W209-Q212 HydrophobicContact CE3-CG 4.32Å; W209-Q212 HydrophobicContact CZ3-CG 4.25Å; W209-Q212 PolarHBondContact O-N 3.4Å; W209-S213 WeakPolarHBondContact O-CB 3.38Å; W209-S213 PolarHBondContact O-N 3.12Å; W209-L216 HydrophobicContact CH2-CD1 4.33Å; W209-L216 HydrophobicContact CZ3-CD1 4.16Å
210R98.3Very high97.6Very high17 Ų1732 Ų326%0.06415%0.15CC..Hα-helixtrans-56.1-45.2176.4-78-170.5-58.9-80.7-2111.8D135 E206 S207 S213 E214 Q393 K394D135-R210 IonicContact OD1-CZ 2.77Å; D135-R210 IonicContact OD1-NE 2.72Å; D135-R210 PolarHBondContact OD1-NE 3.31Å; D135-R210 VanDerWaalsContact OD1-NE 3.17Å; D135-R210 IonicContact OD1-NH2 2.84Å; D135-R210 PolarHBondContact OD1-NH2 3.44Å; D135-R210 IonicContact OD2-CZ 3.01Å; D135-R210 IonicContact OD2-NE 3.74Å; D135-R210 PolarHBondContact OD2-NE 3.29Å; D135-R210 IonicContact OD2-NH2 3.26Å; E206-R210 WeakPolarHBondContact O-CG 3.36Å; E206-R210 PolarHBondContact O-N 3.32Å; E206-R210 PolarHBondContact O-NH1 2.85Å; S207-R210 VanDerWaalsContact CA-NH2 3.3Å; S207-R210 PolarHBondContact O-N 2.85Å; R210-S213 PolarHBondContact O-N 3.09Å; R210-S213 PolarHBondContact O-OG 2.97Å; R210-E214 PolarHBondContact O-N 3.03Å; R210-Q393 VanDerWaalsContact CD-O 3.25Å; R210-Q393 WeakPolarHBondContact CD-O 3.29Å; R210-Q393 HydrophobicContact CG-CB 4.21Å; R210-Q393 WeakPolarHBondContact CG-O 3.44Å; R210-K394 HydrophobicContact CB-CB 4.11Å
211I97.3Very high97.7Very high1 Ų125.1 Ų25.11%0.00512%0.119CC..Hα-helixtrans-65.9-46.4177.6-64.9157.3000111V138 E139 M142 L147 S207 I208 W209 S213 E214 F215 K394V138-I211 HydrophobicContact CB-CD1 3.48Å; V138-I211 VanDerWaalsContact CB-CD1 3.48Å; V138-I211 HydrophobicContact CG1-CD1 3.4Å; V138-I211 VanDerWaalsContact CG1-CD1 3.4Å; E139-I211 HydrophobicContact CB-CD1 4.35Å; M142-I211 HydrophobicContact CG-CG2 4.31Å; M142-I211 HydrophobicContact SD-CG2 4.08Å; L147-I211 HydrophobicContact CD1-CB 4.19Å; L147-I211 HydrophobicContact CD1-CG2 3.79Å; S207-I211 WeakPolarHBondContact O-CD1 3.16Å; S207-I211 WeakPolarHBondContact O-CG1 3.49Å; S207-I211 PolarHBondContact O-N 2.8Å; I208-I211 PolarHBondContact O-N 2.97Å; W209-I211 VanDerWaalsContact C-N 3.3Å; W209-I211 PolarHBondContact O-N 3.4Å; I211-S213 VanDerWaalsContact C-N 3.27Å; I211-S213 PolarHBondContact O-N 3.13Å; I211-E214 WeakPolarHBondContact O-CB 3.46Å; I211-E214 PolarHBondContact O-N 3.03Å; I211-E214 VanDerWaalsContact O-N 3.1Å; I211-F215 HydrophobicContact CG2-CD2 4.32Å; I211-F215 HydrophobicContact CG2-CE2 3.88Å; I211-F215 VanDerWaalsContact O-CD2 3.3Å; I211-F215 WeakPolarHBondContact O-CD2 3.47Å; I211-F215 PolarHBondContact O-N 2.81Å; I211-K394 HydrophobicContact CG1-CD 4.34Å
212Q97.3Very high97.7Very high2 Ų222.1 Ų22.11%0.00910%0.102CC..Hα-helixtrans-56.5-42.2175.2-179.568.818.500111.7F149 I208 W209 E214 F215 L216F149-Q212 HydrophobicContact CE1-CB 4.19Å; F149-Q212 HydrophobicContact CE1-CG 3.97Å; F149-Q212 HydrophobicContact CE2-CG 4.09Å; F149-Q212 HydrophobicContact CZ-CB 4.25Å; F149-Q212 HydrophobicContact CZ-CG 3.67Å; F149-Q212 PolarHBondContact O-NE2 3.13Å; I208-Q212 WeakPolarHBondContact O-CB 3.46Å; I208-Q212 PolarHBondContact O-N 3.33Å; W209-Q212 HydrophobicContact CE3-CB 4.3Å; W209-Q212 HydrophobicContact CE3-CG 4.32Å; W209-Q212 HydrophobicContact CZ3-CG 4.25Å; W209-Q212 PolarHBondContact O-N 3.4Å; Q212-E214 PolarHBondContact O-N 3.09Å; Q212-F215 PolarHBondContact O-N 2.92Å; Q212-L216 HydrophobicContact CG-CD1 3.87Å; Q212-L216 HydrophobicContact CG-CG 4.37Å; Q212-L216 WeakPolarHBondContact O-CG 3.18Å; Q212-L216 PolarHBondContact O-N 3.3Å
213S97.9Very high97.7Very high0 Ų016.8 Ų16.80%07%0.074CC..Hα-helixtrans-62.5-28.9179.780.40000112.6W209 R210 I211 S217 Q393W209-S213 WeakPolarHBondContact O-CB 3.38Å; W209-S213 PolarHBondContact O-N 3.12Å; R210-S213 PolarHBondContact O-N 3.09Å; R210-S213 PolarHBondContact O-OG 2.97Å; I211-S213 VanDerWaalsContact C-N 3.27Å; I211-S213 PolarHBondContact O-N 3.13Å; S213-S217 WeakPolarHBondContact O-CA 3.09Å; S213-S217 WeakPolarHBondContact O-CB 3.43Å; S213-S217 PolarHBondContact O-N 3.12Å; S213-Q393 WeakPolarHBondContact OG-CB 3.23Å; S213-Q393 PolarHBondContact OG-N 3.49Å
214E95.8Very high97.7Very high10 Ų1016.7 Ų16.75%0.0477%0.07CC..Hα-helixtrans-70.5-40.4176.9-162.4-161.182.200112R210 I211 Q212 S217 R218 S392 K394 C409R210-E214 PolarHBondContact O-N 3.03Å; I211-E214 WeakPolarHBondContact O-CB 3.46Å; I211-E214 PolarHBondContact O-N 3.03Å; I211-E214 VanDerWaalsContact O-N 3.1Å; Q212-E214 PolarHBondContact O-N 3.09Å; E214-S217 WeakPolarHBondContact O-CB 3.34Å; E214-R218 PolarHBondContact O-NH1 3.42Å; E214-R218 IonicContact OE1-CZ 3.83Å; E214-R218 IonicContact OE1-NH1 2.8Å; E214-R218 PolarHBondContact OE1-NH1 3.3Å; E214-R218 IonicContact OE1-NH2 3.32Å; E214-R218 PolarHBondContact OE1-NH2 3.45Å; E214-S392 WeakPolarHBondContact CA-OG 3.24Å; E214-S392 WeakPolarHBondContact CB-OG 3.29Å; E214-K394 WeakPolarHBondContact OE2-CD 3.46Å; E214-K394 IonicContact OE2-NZ 3.62Å; E214-K394 PolarHBondContact OE2-NZ 3.17Å; E214-K394 VanDerWaalsContact OE2-NZ 3.1Å; E214-C409 HydrophobicContact CG-CB 3.87Å; E214-C409 PolarHBondContact OE2-SG 3.24Å; E214-C409 VanDerWaalsContact OE2-SG 3.4Å
215F94.8Very high97.7Very high48 Ų4816.7 Ų16.721%0.2117%0.07CC..Hα-helixtrans-64.6-48.9173.6-72.2-74.9000111.4M142 P148 I211 Q212 S217 R218M142-F215 HydrophobicContact CB-CZ 4.32Å; M142-F215 HydrophobicContact CE-CZ 4.33Å; M142-F215 HydrophobicContact CG-CE2 3.68Å; M142-F215 HydrophobicContact CG-CZ 3.61Å; M142-F215 HydrophobicContact SD-CE1 4.43Å; M142-F215 HydrophobicContact SD-CE2 3.42Å; M142-F215 WeakPolarHBondContact SD-CE2 3.21Å; M142-F215 HydrophobicContact SD-CZ 3.22Å; M142-F215 WeakPolarHBondContact SD-CZ 3.29Å; P148-F215 HydrophobicContact CB-CB 3.86Å; P148-F215 HydrophobicContact CB-CD1 4.4Å; P148-F215 HydrophobicContact CB-CD2 3.68Å; P148-F215 HydrophobicContact CB-CE2 4.25Å; P148-F215 HydrophobicContact CB-CG 3.74Å; P148-F215 HydrophobicContact CG-CB 3.89Å; P148-F215 HydrophobicContact CG-CD1 3.68Å; P148-F215 HydrophobicContact CG-CD2 3.8Å; P148-F215 HydrophobicContact CG-CE1 4.03Å; P148-F215 HydrophobicContact CG-CE2 4.14Å; P148-F215 HydrophobicContact CG-CG 3.52Å; P148-F215 HydrophobicContact CG-CZ 4.22Å; I211-F215 HydrophobicContact CG2-CD2 4.32Å; I211-F215 HydrophobicContact CG2-CE2 3.88Å; I211-F215 VanDerWaalsContact O-CD2 3.3Å; I211-F215 WeakPolarHBondContact O-CD2 3.47Å; I211-F215 PolarHBondContact O-N 2.81Å; Q212-F215 PolarHBondContact O-N 2.92Å; F215-S217 VanDerWaalsContact C-N 3.31Å; F215-S217 PolarHBondContact O-N 3.28Å; F215-R218 PolarHBondContact O-N 3.06Å
216L97.3Very high97.7Very high8 Ų813.5 Ų13.54%0.0426%0.059CC..Hα-helixtrans-62-39.8178.3-70.3174.7000111.7T151 W164 W167 W209 Q212 R218 V219 L220 E260T151-L216 HydrophobicContact CG2-CD1 4.27Å; T151-L216 HydrophobicContact CG2-CD2 3.71Å; W164-L216 HydrophobicContact CH2-CB 3.77Å; W164-L216 HydrophobicContact CZ3-CB 4.28Å; W164-L216 HydrophobicContact CZ3-CD1 4.31Å; W167-L216 HydrophobicContact CH2-CD1 3.36Å; W167-L216 HydrophobicContact CZ2-CD1 3.85Å; W167-L216 HydrophobicContact CZ2-CD2 4.3Å; W167-L216 HydrophobicContact CZ3-CD1 3.98Å; W209-L216 HydrophobicContact CH2-CD1 4.33Å; W209-L216 HydrophobicContact CZ3-CD1 4.16Å; Q212-L216 HydrophobicContact CG-CD1 3.87Å; Q212-L216 HydrophobicContact CG-CG 4.37Å; Q212-L216 WeakPolarHBondContact O-CG 3.18Å; Q212-L216 PolarHBondContact O-N 3.3Å; L216-R218 PolarHBondContact O-N 2.96Å; L216-R218 VanDerWaalsContact O-N 3.16Å; L216-V219 HydrophobicContact CD2-CG1 4.47Å; L216-V219 VanDerWaalsContact O-CG1 3.3Å; L216-V219 WeakPolarHBondContact O-CG1 3.38Å; L216-V219 PolarHBondContact O-N 3.41Å; L216-L220 HydrophobicContact CB-CD1 4.06Å; L216-L220 VanDerWaalsContact O-CB 3.25Å; L216-L220 WeakPolarHBondContact O-CB 3.23Å; L216-L220 WeakPolarHBondContact O-CG 3.22Å; L216-L220 PolarHBondContact O-N 3.2Å; L216-E260 HydrophobicContact CD2-CG 4.38Å
217S98.2Very high97.6Very high0 Ų011.3 Ų11.30%05%0.048CC..Hα-helixtrans-51.6-40.9177177.60000112.6S213 E214 F215 T221 F390 S392 N410S213-S217 WeakPolarHBondContact O-CA 3.09Å; S213-S217 WeakPolarHBondContact O-CB 3.43Å; S213-S217 PolarHBondContact O-N 3.12Å; E214-S217 WeakPolarHBondContact O-CB 3.34Å; F215-S217 VanDerWaalsContact C-N 3.31Å; F215-S217 PolarHBondContact O-N 3.28Å; S217-T221 VanDerWaalsContact O-CB 3.22Å; S217-T221 WeakPolarHBondContact O-CB 3.48Å; S217-T221 PolarHBondContact O-N 2.91Å; S217-T221 PolarHBondContact O-OG1 3.43Å; S217-F390 WeakPolarHBondContact CA-O 3.34Å; S217-F390 WeakPolarHBondContact CB-O 3.46Å; S217-F390 PolarHBondContact OG-O 3.47Å; S217-S392 PolarHBondContact OG-N 3.31Å; S217-N410 WeakPolarHBondContact OG-CB 3.23Å; S217-N410 PolarHBondContact OG-ND2 3.13Å
218R96.4Very high97.5Very high34 Ų3414.3 Ų14.313%0.1286%0.062CC..Hα-helixtrans-64.6-55.1178.7-65.3177.1-17890.7-8111.3E214 F215 L216 T221 V222 F330E214-R218 PolarHBondContact O-NH1 3.42Å; E214-R218 IonicContact OE1-CZ 3.83Å; E214-R218 IonicContact OE1-NH1 2.8Å; E214-R218 PolarHBondContact OE1-NH1 3.3Å; E214-R218 IonicContact OE1-NH2 3.32Å; E214-R218 PolarHBondContact OE1-NH2 3.45Å; F215-R218 PolarHBondContact O-N 3.06Å; L216-R218 PolarHBondContact O-N 2.96Å; L216-R218 VanDerWaalsContact O-N 3.16Å; R218-T221 WeakPolarHBondContact O-CB 3.4Å; R218-T221 PolarHBondContact O-N 3.1Å; R218-V222 PolarHBondContact O-N 3.32Å; R218-F330 HydrophobicContact CB-CE1 4.35Å; R218-F330 HydrophobicContact CB-CE2 4.45Å; R218-F330 HydrophobicContact CB-CZ 4.05Å; R218-F330 WeakPolarHBondContact O-CZ 3.24Å
219V97.7Very high97.5Very high4 Ų415.4 Ų15.42%0.0247%0.067CC..Hα-helixtrans-68.7-37.8-176.560.90000112.7L216 T221 V222 G223 Y258 E260 L261L216-V219 HydrophobicContact CD2-CG1 4.47Å; L216-V219 VanDerWaalsContact O-CG1 3.3Å; L216-V219 WeakPolarHBondContact O-CG1 3.38Å; L216-V219 PolarHBondContact O-N 3.41Å; V219-T221 VanDerWaalsContact C-N 3.28Å; V219-T221 PolarHBondContact O-N 3.14Å; V219-V222 WeakPolarHBondContact O-CB 3.32Å; V219-V222 PolarHBondContact O-N 2.81Å; V219-V222 VanDerWaalsContact O-N 3.15Å; V219-G223 PolarHBondContact O-N 2.75Å; V219-Y258 HydrophobicContact CB-CD1 4.16Å; V219-Y258 HydrophobicContact CB-CE1 4.4Å; V219-Y258 HydrophobicContact CG2-CD1 3.79Å; V219-Y258 HydrophobicContact CG2-CE1 4.45Å; V219-Y258 HydrophobicContact CG2-CG 4.27Å; V219-E260 HydrophobicContact CB-CB 4.36Å; V219-E260 HydrophobicContact CG1-CB 3.66Å; V219-E260 HydrophobicContact CG1-CG 3.86Å; V219-E260 HydrophobicContact CG2-CB 3.78Å; V219-E260 HydrophobicContact CG2-CG 4.36Å; V219-L261 HydrophobicContact CG2-CD1 4.45Å; V219-L261 HydrophobicContact CG2-CD2 4.01Å; V219-L261 HydrophobicContact CG2-CG 3.67Å
220L98.3Very high97.4Very high1 Ų117.8 Ų17.81%0.00510%0.096CC..Hα-helixtrans-65.3-33.2174.7-65.3175.6000111.8W154 W164 L216 G223 R224 E260 F390W154-L220 HydrophobicContact CH2-CD2 4.22Å; W154-L220 HydrophobicContact CZ2-CD2 3.5Å; W154-L220 VanDerWaalsContact CZ2-CD2 3.5Å; W164-L220 HydrophobicContact CH2-CD1 3.78Å; W164-L220 HydrophobicContact CZ3-CD1 3.85Å; L216-L220 HydrophobicContact CB-CD1 4.06Å; L216-L220 VanDerWaalsContact O-CB 3.25Å; L216-L220 WeakPolarHBondContact O-CB 3.23Å; L216-L220 WeakPolarHBondContact O-CG 3.22Å; L216-L220 PolarHBondContact O-N 3.2Å; L220-G223 PolarHBondContact O-N 2.91Å; L220-R224 PolarHBondContact O-N 3.28Å; L220-E260 HydrophobicContact CD2-CG 3.96Å; L220-F390 HydrophobicContact CB-CB 3.92Å; L220-F390 HydrophobicContact CB-CD1 4.14Å; L220-F390 HydrophobicContact CB-CD2 4.04Å; L220-F390 HydrophobicContact CB-CG 3.77Å; L220-F390 HydrophobicContact CD1-CB 4.37Å; L220-F390 HydrophobicContact CD1-CD1 3.61Å; L220-F390 HydrophobicContact CD1-CE1 4.08Å; L220-F390 HydrophobicContact CD1-CG 4.09Å; L220-F390 HydrophobicContact CG-CD1 4.42Å
221T98.4Very high97.4Very high0 Ų018.7 Ų18.70%010%0.102CC..Hα-helixtrans-65.7-38.2173-63.50000111.8S217 R218 V219 R224 A225 F330 F359 T361 N388S217-T221 VanDerWaalsContact O-CB 3.22Å; S217-T221 WeakPolarHBondContact O-CB 3.48Å; S217-T221 PolarHBondContact O-N 2.91Å; S217-T221 PolarHBondContact O-OG1 3.43Å; R218-T221 WeakPolarHBondContact O-CB 3.4Å; R218-T221 PolarHBondContact O-N 3.1Å; V219-T221 VanDerWaalsContact C-N 3.28Å; V219-T221 PolarHBondContact O-N 3.14Å; T221-R224 WeakPolarHBondContact O-CB 3.34Å; T221-R224 PolarHBondContact O-N 3.3Å; T221-A225 PolarHBondContact O-N 2.99Å; T221-F330 HydrophobicContact CG2-CE1 3.94Å; T221-F359 HydrophobicContact CG2-CD1 3.92Å; T221-F359 HydrophobicContact CG2-CE1 3.47Å; T221-F359 VanDerWaalsContact CG2-CE1 3.47Å; T221-F359 HydrophobicContact CG2-CZ 4.34Å; T221-T361 HydrophobicContact CG2-CG2 3.61Å; T221-N388 PolarHBondContact OG1-ND2 3.48Å
222V98.6Very high97.3Very high0 Ų021.6 Ų21.60%012%0.118CC..Hα-helixtrans-63.3-44.6172.6174.60000111.1R218 V219 R224 A225 I226 V240 I242 Y258 L261 I273 V328 F330R218-V222 PolarHBondContact O-N 3.32Å; V219-V222 WeakPolarHBondContact O-CB 3.32Å; V219-V222 PolarHBondContact O-N 2.81Å; V219-V222 VanDerWaalsContact O-N 3.15Å; V222-R224 VanDerWaalsContact C-N 3.29Å; V222-R224 PolarHBondContact O-N 3.04Å; V222-A225 WeakPolarHBondContact O-CB 3.09Å; V222-A225 PolarHBondContact O-N 3.43Å; V222-A225 VanDerWaalsContact O-N 3.13Å; V222-I226 HydrophobicContact CG1-CD1 4.25Å; V222-I226 WeakPolarHBondContact O-CG1 3.25Å; V222-I226 PolarHBondContact O-N 3.09Å; V222-V240 HydrophobicContact CG1-CG1 3.99Å; V222-V240 HydrophobicContact CG1-CG2 4.19Å; V222-I242 HydrophobicContact CG2-CD1 3.89Å; V222-Y258 HydrophobicContact CB-CE1 4.41Å; V222-Y258 HydrophobicContact CG2-CE1 3.76Å; V222-L261 HydrophobicContact CB-CD2 4.46Å; V222-L261 HydrophobicContact CG1-CD1 4.03Å; V222-L261 HydrophobicContact CG1-CD2 4.3Å; V222-I273 HydrophobicContact CG1-CD1 4.33Å; V222-V328 HydrophobicContact CG2-CG1 4.31Å; V222-V328 HydrophobicContact CG2-CG2 4.28Å; V222-F330 HydrophobicContact CG2-CZ 3.94Å
223G98Very high97.3Very high0 Ų021.6 Ų21.60%012%0.118CC..Hα-helixtrans-56.2-43.517400000112.7V219 L220 I226 Q227 M264V219-G223 PolarHBondContact O-N 2.75Å; L220-G223 PolarHBondContact O-N 2.91Å; G223-I226 WeakPolarHBondContact O-CB 3.36Å; G223-I226 PolarHBondContact O-N 2.58Å; G223-Q227 WeakPolarHBondContact O-CG 3.36Å; G223-Q227 PolarHBondContact O-N 2.96Å; G223-Q227 VanDerWaalsContact O-N 3.11Å; G223-M264 VanDerWaalsContact CA-SD 3.57Å
224R96.9Very high97.2Very high38 Ų3826.2 Ų26.214%0.14314%0.136CC..Hα-helixtrans-62.9-42.4174.4-168.2-161.4-168.8-165.71.4112.3L220 T221 V222 I226 Q227 Q228 P387 N388 C413L220-R224 PolarHBondContact O-N 3.28Å; T221-R224 WeakPolarHBondContact O-CB 3.34Å; T221-R224 PolarHBondContact O-N 3.3Å; V222-R224 VanDerWaalsContact C-N 3.29Å; V222-R224 PolarHBondContact O-N 3.04Å; R224-I226 VanDerWaalsContact C-N 3.32Å; R224-I226 PolarHBondContact O-N 3.14Å; R224-Q227 PolarHBondContact O-N 2.92Å; R224-Q228 WeakPolarHBondContact O-CB 3.15Å; R224-Q228 PolarHBondContact O-N 3.24Å; R224-P387 PolarHBondContact NH2-O 2.79Å; R224-P387 VanDerWaalsContact NH2-O 3.12Å; R224-N388 VanDerWaalsContact NH1-CA 3.32Å; R224-N388 PolarHBondContact NH1-OD1 3.4Å; R224-C413 PolarHBondContact NH1-SG 2.89Å
225A98.4Very high97.3Very high0 Ų032.4 Ų32.40%017%0.169CC..Hα-helixtrans-59.4-44.5176.700000111.2T221 V222 Q227 Q228 F229 V326 V328 F359T221-A225 PolarHBondContact O-N 2.99Å; V222-A225 WeakPolarHBondContact O-CB 3.09Å; V222-A225 PolarHBondContact O-N 3.43Å; V222-A225 VanDerWaalsContact O-N 3.13Å; A225-Q227 VanDerWaalsContact C-N 3.31Å; A225-Q227 PolarHBondContact O-N 2.92Å; A225-Q228 PolarHBondContact O-N 2.88Å; A225-F229 VanDerWaalsContact O-CD2 3.28Å; A225-F229 WeakPolarHBondContact O-CD2 3.36Å; A225-F229 PolarHBondContact O-N 3.33Å; A225-F229 VanDerWaalsContact O-N 3.16Å; A225-V326 HydrophobicContact CB-CG2 4.25Å; A225-V328 HydrophobicContact CB-CG2 3.89Å; A225-F359 HydrophobicContact CB-CB 3.63Å; A225-F359 HydrophobicContact CB-CD1 4.33Å; A225-F359 HydrophobicContact CB-CD2 3.78Å; A225-F359 HydrophobicContact CB-CG 3.65Å
226I98.3Very high97.3Very high0 Ų034.8 Ų34.80%018%0.179CC..Hα-helixtrans-54.5-48.4173.7-69.2168.8000110.5V222 G223 R224 G230 L231 P233 L238 V240 F265 V326V222-I226 HydrophobicContact CG1-CD1 4.25Å; V222-I226 WeakPolarHBondContact O-CG1 3.25Å; V222-I226 PolarHBondContact O-N 3.09Å; G223-I226 WeakPolarHBondContact O-CB 3.36Å; G223-I226 PolarHBondContact O-N 2.58Å; R224-I226 VanDerWaalsContact C-N 3.32Å; R224-I226 PolarHBondContact O-N 3.14Å; I226-G230 PolarHBondContact O-N 3.34Å; I226-L231 HydrophobicContact CG2-CB 3.91Å; I226-L231 WeakPolarHBondContact CG2-O 3.22Å; I226-L231 WeakPolarHBondContact O-CB 3.36Å; I226-L231 PolarHBondContact O-N 3Å; I226-P233 HydrophobicContact CG2-CG 3.94Å; I226-L238 HydrophobicContact CD1-CD1 4.3Å; I226-L238 HydrophobicContact CG1-CD1 4.34Å; I226-L238 HydrophobicContact CG2-CD1 4.01Å; I226-V240 HydrophobicContact CD1-CG2 4.49Å; I226-F265 HydrophobicContact CB-CZ 4.43Å; I226-F265 HydrophobicContact CD1-CE2 4.17Å; I226-F265 HydrophobicContact CG2-CE2 4.33Å; I226-F265 HydrophobicContact CG2-CZ 3.93Å; I226-V326 HydrophobicContact CG1-CG1 4.47Å
227Q96.2Very high97.2Very high60 Ų6035.5 Ų35.528%0.2818%0.184SC..Hα-helixtrans-67.1-43.9179.8-65.6178.4-75.100113.5P158 G223 R224 A225 F229 G230 M264 F265P158-Q227 HydrophobicContact CB-CG 4.41Å; P158-Q227 PolarHBondContact O-NE2 2.75Å; G223-Q227 WeakPolarHBondContact O-CG 3.36Å; G223-Q227 PolarHBondContact O-N 2.96Å; G223-Q227 VanDerWaalsContact O-N 3.11Å; R224-Q227 PolarHBondContact O-N 2.92Å; A225-Q227 VanDerWaalsContact C-N 3.31Å; A225-Q227 PolarHBondContact O-N 2.92Å; Q227-F229 PolarHBondContact O-N 2.96Å; Q227-G230 PolarHBondContact O-N 3.25Å; Q227-M264 HydrophobicContact CG-CE 4.16Å; Q227-F265 HydrophobicContact CG-CZ 4.39Å
228Q96.3Very high97.2Very high63 Ų6335.5 Ų35.529%0.29418%0.184SC..Hα-helixtrans-61-34.1-177.5-166.388.9-1.500111.7R224 A225 D384 C415R224-Q228 WeakPolarHBondContact O-CB 3.15Å; R224-Q228 PolarHBondContact O-N 3.24Å; A225-Q228 PolarHBondContact O-N 2.88Å; Q228-D384 PolarHBondContact NE2-OD2 3.04Å; Q228-C415 HydrophobicContact CG-CB 4.42Å
229F98Very high97.3Very high22 Ų2234.1 Ų34.110%0.09618%0.179CC..THydrogen-bonded Turntrans-90.43.1176.5-72.2-70000113.9A225 Q227 L231 V326 P357 S358 F359 R383 C415 Q417A225-F229 VanDerWaalsContact O-CD2 3.28Å; A225-F229 WeakPolarHBondContact O-CD2 3.36Å; A225-F229 PolarHBondContact O-N 3.33Å; A225-F229 VanDerWaalsContact O-N 3.16Å; Q227-F229 PolarHBondContact O-N 2.96Å; F229-L231 VanDerWaalsContact C-N 3.26Å; F229-L231 HydrophobicContact CB-CD1 4.37Å; F229-L231 HydrophobicContact CB-CG 4.04Å; F229-L231 PolarHBondContact O-N 3.27Å; F229-V326 HydrophobicContact CD2-CG2 3.76Å; F229-V326 HydrophobicContact CE2-CG2 3.99Å; F229-P357 HydrophobicContact CB-CB 4.42Å; F229-P357 HydrophobicContact CD1-CB 3.58Å; F229-P357 HydrophobicContact CD1-CG 4.32Å; F229-P357 HydrophobicContact CD2-CB 3.95Å; F229-P357 HydrophobicContact CE1-CB 3.69Å; F229-P357 HydrophobicContact CE2-CB 4.04Å; F229-P357 HydrophobicContact CG-CB 3.73Å; F229-P357 HydrophobicContact CZ-CB 3.93Å; F229-S358 WeakPolarHBondContact CZ-O 3.35Å; F229-F359 HydrophobicContact CE2-CB 4.24Å; F229-R383 VanDerWaalsContact CD1-NH1 3.32Å; F229-C415 HydrophobicContact CZ-CB 4.23Å; F229-Q417 HydrophobicContact CE1-CB 4.21Å
230G96.9Very high97.3Very high65 Ų6533.9 Ų33.967%0.6718%0.178SC*.THydrogen-bonded Turntrans65.828.5178.400000113.4I226 Q227I226-G230 PolarHBondContact O-N 3.34Å; Q227-G230 PolarHBondContact O-N 3.25Å
231L97.7Very high97.3Very high36 Ų3633.9 Ų33.919%0.18818%0.178CC..  trans-80.3132.3178.3-58.8179.6000109.4I226 F229 P233 L238 D325 V326I226-L231 HydrophobicContact CG2-CB 3.91Å; I226-L231 WeakPolarHBondContact CG2-O 3.22Å; I226-L231 WeakPolarHBondContact O-CB 3.36Å; I226-L231 PolarHBondContact O-N 3Å; F229-L231 VanDerWaalsContact C-N 3.26Å; F229-L231 HydrophobicContact CB-CD1 4.37Å; F229-L231 HydrophobicContact CB-CG 4.04Å; F229-L231 PolarHBondContact O-N 3.27Å; L231-P233 WeakPolarHBondContact O-CD 3.27Å; L231-L238 HydrophobicContact CB-CD1 4.09Å; L231-L238 HydrophobicContact CB-CD2 4.48Å; L231-D325 HydrophobicContact CD1-CB 3.93Å; L231-D325 HydrophobicContact CD2-CB 4.47Å; L231-V326 HydrophobicContact CD1-CB 3.82Å; L231-V326 HydrophobicContact CD1-CG1 3.79Å
232D96.8Very high97.4Very high63 Ų6333.9 Ų33.934%0.33718%0.178SC..  trans-111.1104-178.7-171.1-19.3000111.1Y234 L235D232-Y234 PolarHBondContact O-N 2.94Å; D232-Y234 WeakPolarHBondContact OD1-CA 3.28Å; D232-Y234 WeakPolarHBondContact OD1-CB 3.29Å; D232-Y234 WeakPolarHBondContact OD1-CD2 3.43Å; D232-Y234 PolarHBondContact OD1-N 2.87Å; D232-L235 HydrophobicContact CB-CB 4.37Å; D232-L235 HydrophobicContact CB-CD1 3.88Å; D232-L235 HydrophobicContact CB-CG 3.97Å; D232-L235 PolarHBondContact O-N 2.9Å; D232-L235 WeakPolarHBondContact OD2-CG 3.46Å
233P96.4Very high97.3Very high2 Ų234 Ų341%0.01318%0.178CC..THydrogen-bonded Turntrans-66.1-12.4178-15.628.3000114.3I226 L231 L238 F265 H268 Q269 I271I226-P233 HydrophobicContact CG2-CG 3.94Å; L231-P233 WeakPolarHBondContact O-CD 3.27Å; P233-L238 HydrophobicContact CB-CD1 3.97Å; P233-L238 HydrophobicContact CB-CG 4.42Å; P233-L238 HydrophobicContact CG-CD1 3.65Å; P233-F265 HydrophobicContact CB-CB 4.32Å; P233-F265 HydrophobicContact CB-CG 4.38Å; P233-F265 HydrophobicContact CG-CB 4.25Å; P233-F265 HydrophobicContact CG-CD1 3.83Å; P233-F265 HydrophobicContact CG-CD2 4.04Å; P233-F265 HydrophobicContact CG-CE1 4.11Å; P233-F265 HydrophobicContact CG-CE2 4.31Å; P233-F265 HydrophobicContact CG-CG 3.78Å; P233-F265 HydrophobicContact CG-CZ 4.34Å; P233-H268 HydrophobicContact CB-CB 3.68Å; P233-H268 CarbonylContact O-C 3.55Å; P233-H268 VanDerWaalsContact O-CA 3.31Å; P233-H268 WeakPolarHBondContact O-CA 3.36Å; P233-Q269 PolarHBondContact O-N 3.43Å; P233-I271 HydrophobicContact CB-CD1 4.32Å
234Y96.9Very high97.1Very high96 Ų9635.1 Ų35.138%0.37619%0.191SC..THydrogen-bonded Turntrans-83.6-27.6178.1-55.4-67.8000112.6D232 F265 P266 Q269D232-Y234 PolarHBondContact O-N 2.94Å; D232-Y234 WeakPolarHBondContact OD1-CA 3.28Å; D232-Y234 WeakPolarHBondContact OD1-CB 3.29Å; D232-Y234 WeakPolarHBondContact OD1-CD2 3.43Å; D232-Y234 PolarHBondContact OD1-N 2.87Å; Y234-F265 HydrophobicContact CE1-CB 4.49Å; Y234-F265 HydrophobicContact CE2-CD1 4.35Å; Y234-F265 WeakPolarHBondContact OH-CA 3.16Å; Y234-P266 VanDerWaalsContact CE1-O 3.28Å; Y234-P266 WeakPolarHBondContact CE1-O 3.39Å; Y234-Q269 VanDerWaalsContact O-CG 3.25Å; Y234-Q269 WeakPolarHBondContact O-CG 3.25Å
235L96.1Very high97Very high140 Ų14033.4 Ų33.473%0.73319%0.185SC*.THydrogen-bonded Turntrans-81.4-38.3-178.4-65.5-179.8000112.7D232D232-L235 HydrophobicContact CB-CB 4.37Å; D232-L235 HydrophobicContact CB-CD1 3.88Å; D232-L235 HydrophobicContact CB-CG 3.97Å; D232-L235 PolarHBondContact O-N 2.9Å; D232-L235 WeakPolarHBondContact OD2-CG 3.46Å
236K95.1Very high96.6Very high99 Ų9934 Ų3443%0.4319%0.189SC..SBendtrans-151.5159.8179.965.3170.9-169.1164.80111L238 D325K236-L238 HydrophobicContact CG-CD2 4.26Å; K236-D325 WeakPolarHBondContact CE-OD1 3.48Å; K236-D325 IonicContact NZ-OD1 2.87Å; K236-D325 PolarHBondContact NZ-OD1 3.17Å
237P96.8Very high96Very high22 Ų2236.1 Ų36.114%0.14320%0.198CC..  trans-63.2146.3169.6-15.530.3000110.2Q269 G270 F293P237-Q269 HydrophobicContact CG-CB 4.02Å; P237-Q269 WeakPolarHBondContact CG-O 3.39Å; P237-G270 CarbonylContact C-O 3.48Å; P237-G270 WeakPolarHBondContact CA-O 3.33Å; P237-F293 HydrophobicContact CB-CB 3.58Å; P237-F293 HydrophobicContact CB-CD1 3.66Å; P237-F293 HydrophobicContact CB-CG 3.78Å; P237-F293 HydrophobicContact CG-CB 3.53Å; P237-F293 HydrophobicContact CG-CD1 3.83Å; P237-F293 HydrophobicContact CG-CD2 4.17Å; P237-F293 HydrophobicContact CG-CG 3.56Å
238L97.6Very high95.5Very high1 Ų136.5 Ų36.51%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-113.9142.9179.5-60.1-177000111.7I226 L231 P233 K236 G270 I271 E272 D325I226-L238 HydrophobicContact CD1-CD1 4.3Å; I226-L238 HydrophobicContact CG1-CD1 4.34Å; I226-L238 HydrophobicContact CG2-CD1 4.01Å; L231-L238 HydrophobicContact CB-CD1 4.09Å; L231-L238 HydrophobicContact CB-CD2 4.48Å; P233-L238 HydrophobicContact CB-CD1 3.97Å; P233-L238 HydrophobicContact CB-CG 4.42Å; P233-L238 HydrophobicContact CG-CD1 3.65Å; K236-L238 HydrophobicContact CG-CD2 4.26Å; L238-G270 PolarHBondContact N-O 3.17Å; L238-I271 CarbonylContact O-C 3.52Å; L238-I271 WeakPolarHBondContact O-CA 3.49Å; L238-E272 PolarHBondContact O-N 2.96Å; L238-D325 VanDerWaalsContact CA-OD2 3.3Å; L238-D325 WeakPolarHBondContact CA-OD2 3.44Å; L238-D325 HydrophobicContact CD2-CB 4.29Å
239T97.9Very high95.3Very high4 Ų434.7 Ų34.73%0.02520%0.199CC..EExtended strand (participates in β ladder)trans-112.8122169.3-63.30000109.6V274 A322 P324 D325T239-V274 HydrophobicContact CG2-CG2 4.2Å; T239-A322 HydrophobicContact CG2-CB 4.21Å; T239-P324 CarbonylContact O-C 3.54Å; T239-P324 WeakPolarHBondContact O-CA 3.34Å; T239-D325 PolarHBondContact N-OD2 3.15Å; T239-D325 PolarHBondContact O-N 3.31Å
240V98.5Very high95Very high0 Ų033.8 Ų33.80%020%0.195CC..EExtended strand (participates in β ladder)trans-111.9123.5176.5-178.10000108.8V222 I226 I242 E272 I273 V274 V326 V328V222-V240 HydrophobicContact CG1-CG1 3.99Å; V222-V240 HydrophobicContact CG1-CG2 4.19Å; I226-V240 HydrophobicContact CD1-CG2 4.49Å; V240-I242 HydrophobicContact CG1-CD1 3.87Å; V240-E272 PolarHBondContact N-O 2.96Å; V240-I273 HydrophobicContact CB-CD1 3.79Å; V240-I273 HydrophobicContact CG1-CD1 4.33Å; V240-I273 HydrophobicContact CG2-CD1 4.11Å; V240-I273 CarbonylContact O-C 3.52Å; V240-I273 WeakPolarHBondContact O-CA 3.41Å; V240-V274 PolarHBondContact O-N 2.58Å; V240-V326 WeakPolarHBondContact CA-O 3.37Å; V240-V326 HydrophobicContact CB-CG1 4.4Å; V240-V326 HydrophobicContact CG1-CG1 4.15Å; V240-V326 HydrophobicContact CG2-CG1 3.84Å; V240-V328 HydrophobicContact CG1-CG2 3.96Å
241H98.6Very high94.5Very high0 Ų034.6 Ų34.60%018%0.183CC..EExtended strand (participates in β ladder)trans-95.8120.9171.9-71.4179.3000109.7V243 V274 Y308 F311 A322 P324 V326 V327 V328H241-V243 HydrophobicContact CB-CG1 4.3Å; H241-V274 CarbonylContact C-O 3.46Å; H241-V274 WeakPolarHBondContact CA-O 3.49Å; H241-Y308 HydrophobicContact CB-CE2 4.09Å; H241-Y308 AromaticContact ND1-CE2 3.54Å; H241-Y308 AromaticContact ND1-CZ 3.79Å; H241-Y308 PolarHBondContact ND1-OH 3.01Å; H241-Y308 VanDerWaalsContact ND1-OH 3.11Å; H241-F311 AromaticContact CE1-CE1 3.7Å; H241-F311 AromaticContact ND1-CE1 3.98Å; H241-A322 PolarHBondContact CE1-O 3.46Å; H241-A322 PolarHBondContact NE2-O 2.9Å; H241-P324 HydrophobicContact CB-CB 4.04Å; H241-P324 VanDerWaalsContact CE1-CD 3.48Å; H241-P324 WeakPolarHBondContact CE1-CD 3.22Å; H241-V326 PolarHBondContact N-O 3.01Å; H241-V326 VanDerWaalsContact N-O 3.08Å; H241-V327 HydrophobicContact CB-CG2 4.01Å; H241-V327 CarbonylContact O-C 3.54Å; H241-V327 WeakPolarHBondContact O-CA 3.48Å; H241-V328 PolarHBondContact O-N 3.42Å
242I98.6Very high93.9Very high1 Ų136 Ų361%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-90.4108169.9-49.7-57000107.7V222 V240 I273 V274 M275 V276 V328 F330V222-I242 HydrophobicContact CG2-CD1 3.89Å; V240-I242 HydrophobicContact CG1-CD1 3.87Å; I242-I273 HydrophobicContact CD1-CG2 4.27Å; I242-I273 HydrophobicContact CG1-CG2 3.56Å; I242-V274 PolarHBondContact N-O 3.46Å; I242-M275 HydrophobicContact CB-CG 4.12Å; I242-M275 HydrophobicContact CG1-CG 4.26Å; I242-V276 PolarHBondContact O-N 2.94Å; I242-V328 CarbonylContact C-O 3.55Å; I242-V328 VanDerWaalsContact CA-O 3.23Å; I242-V328 WeakPolarHBondContact CA-O 3.46Å; I242-V328 HydrophobicContact CD1-CB 3.8Å; I242-V328 HydrophobicContact CD1-CG1 4.4Å; I242-V328 HydrophobicContact CD1-CG2 4.44Å; I242-F330 HydrophobicContact CD1-CE2 4.13Å; I242-F330 HydrophobicContact CG2-CD2 3.74Å; I242-F330 HydrophobicContact CG2-CE2 3.88Å
243V97.9Very high93.6Very high1 Ų133.5 Ų33.51%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-100.4144.3-173.2-59.70000111.7H241 A245 V276 Y308 V327 V328 W344 F360H241-V243 HydrophobicContact CB-CG1 4.3Å; V243-A245 VanDerWaalsContact C-N 3.29Å; V243-V276 CarbonylContact C-O 3.48Å; V243-Y308 HydrophobicContact CB-CD2 4.3Å; V243-Y308 HydrophobicContact CB-CG 4.21Å; V243-Y308 HydrophobicContact CG1-CD1 3.91Å; V243-Y308 HydrophobicContact CG1-CD2 3.32Å; V243-Y308 HydrophobicContact CG1-CE1 4.04Å; V243-Y308 HydrophobicContact CG1-CE2 3.46Å; V243-Y308 VanDerWaalsContact CG1-CE2 3.46Å; V243-Y308 HydrophobicContact CG1-CG 3.55Å; V243-V327 HydrophobicContact CB-CG1 4.17Å; V243-V327 HydrophobicContact CG1-CG1 3.61Å; V243-V327 HydrophobicContact CG2-CG1 3.44Å; V243-V327 VanDerWaalsContact CG2-CG1 3.44Å; V243-V328 PolarHBondContact N-O 3.06Å; V243-W344 HydrophobicContact CB-CH2 4.34Å; V243-W344 HydrophobicContact CB-CZ3 4.5Å; V243-W344 HydrophobicContact CG2-CH2 3.96Å; V243-W344 HydrophobicContact CG2-CZ3 4.01Å; V243-F360 HydrophobicContact CG2-CE1 3.77Å; V243-F360 HydrophobicContact CG2-CZ 4.08Å
244G94.4Very high93.3Very high25 Ų2537.1 Ų37.126%0.25821%0.208SC..THydrogen-bonded Turntrans74.821-173.300000113.1S246 V276G244-S246 PolarHBondContact O-N 3.09Å; G244-V276 PolarHBondContact N-O 3Å
245A94.2Very high93.2Very high2 Ų235.7 Ų35.72%0.01721%0.206CC..  trans-58.4130.2-179.900000110.9V243 T250 M275 V276 G277 V280V243-A245 VanDerWaalsContact C-N 3.29Å; A245-T250 HydrophobicContact CB-CG2 4.35Å; A245-M275 HydrophobicContact CB-CB 3.92Å; A245-V276 PolarHBondContact N-O 3.33Å; A245-G277 WeakPolarHBondContact O-CA 3.35Å; A245-V280 HydrophobicContact CB-CG2 4.07Å
246S89.4Confident93.1Very high12 Ų1232.5 Ų32.58%0.08419%0.192CC..  trans-120.6-173.2-176.474.60000110.9G244 S248 E249 T250 E279G244-S246 PolarHBondContact O-N 3.09Å; S246-S248 PolarHBondContact O-N 2.92Å; S246-S248 VanDerWaalsContact OG-CB 3.28Å; S246-S248 WeakPolarHBondContact OG-CB 3.46Å; S246-S248 PolarHBondContact OG-N 3.14Å; S246-S248 PolarHBondContact OG-OG 3.34Å; S246-E249 PolarHBondContact N-OE2 3.08Å; S246-E249 PolarHBondContact O-N 2.94Å; S246-E249 PolarHBondContact OG-OE2 2.98Å; S246-T250 WeakPolarHBondContact O-CB 3.15Å; S246-T250 WeakPolarHBondContact O-CG2 3.42Å; S246-T250 PolarHBondContact O-N 2.75Å; S246-T250 PolarHBondContact O-OG1 3.34Å; S246-E279 CarbonylContact C-O 3.14Å
247H85.8Confident93Very high44 Ų4429.7 Ų29.720%0.20418%0.182CC..Hα-helixtrans-58.1-24.816959.8-88.9000112.6V56 E249 T250 M251 E279 V281V56-H247 HydrophobicContact CG1-CB 3.62Å; H247-E249 VanDerWaalsContact C-N 3.29Å; H247-E249 PolarHBondContact O-N 3.29Å; H247-T250 PolarHBondContact O-N 3.34Å; H247-M251 HydrophobicContact CB-CE 4.21Å; H247-M251 WeakPolarHBondContact O-CB 3.43Å; H247-M251 PolarHBondContact O-N 2.9Å; H247-E279 PolarHBondContact N-O 2.87Å; H247-E279 IonicContact ND1-OE1 3.3Å; H247-V281 HydrophobicContact CB-CG2 3.64Å
248S86.6Confident93Very high68 Ų6829.2 Ų29.248%0.47618%0.177SC..Hα-helixtrans-62.5-34.3177.2-52.70000113S246S246-S248 PolarHBondContact O-N 2.92Å; S246-S248 VanDerWaalsContact OG-CB 3.28Å; S246-S248 WeakPolarHBondContact OG-CB 3.46Å; S246-S248 PolarHBondContact OG-N 3.14Å; S246-S248 PolarHBondContact OG-OG 3.34Å
249E90.6Very high92.9Very high25 Ų2532 Ų3212%0.11719%0.192CC..Hα-helixtrans-97.3-27.4178.9-64.366.5-13200112.3S246 H247 F330S246-E249 PolarHBondContact N-OE2 3.08Å; S246-E249 PolarHBondContact O-N 2.94Å; S246-E249 PolarHBondContact OG-OE2 2.98Å; H247-E249 VanDerWaalsContact C-N 3.29Å; H247-E249 PolarHBondContact O-N 3.29Å; E249-F330 HydrophobicContact CG-CD2 4.29Å
250T91.6Very high92.9Very high3 Ų332.2 Ų32.22%0.01819%0.193CC..Hα-helixtrans-108-22-165.7620000114.6A245 S246 H247 G252 A253 M275 V280 V281 I285A245-T250 HydrophobicContact CB-CG2 4.35Å; S246-T250 WeakPolarHBondContact O-CB 3.15Å; S246-T250 WeakPolarHBondContact O-CG2 3.42Å; S246-T250 PolarHBondContact O-N 2.75Å; S246-T250 PolarHBondContact O-OG1 3.34Å; H247-T250 PolarHBondContact O-N 3.34Å; T250-G252 PolarHBondContact O-N 3.41Å; T250-G252 VanDerWaalsContact O-N 3.13Å; T250-A253 WeakPolarHBondContact O-CB 3.45Å; T250-A253 PolarHBondContact O-N 3.31Å; T250-A253 VanDerWaalsContact O-N 3.15Å; T250-M275 HydrophobicContact CG2-SD 4.04Å; T250-V280 HydrophobicContact CG2-CG1 4.28Å; T250-V280 HydrophobicContact CG2-CG2 4.18Å; T250-V281 PolarHBondContact OG1-N 3.33Å; T250-I285 HydrophobicContact CG2-CD1 3.89Å
251M87Confident92.8Very high82 Ų8232.2 Ų32.240%0.40419%0.193SC..THydrogen-bonded Turntrans-65.7116178.9-175.8-179.3-65.700110.5V56 F143 H247 A253V56-M251 HydrophobicContact CG1-CE 3.81Å; F143-M251 HydrophobicContact CE1-SD 4.23Å; H247-M251 HydrophobicContact CB-CE 4.21Å; H247-M251 WeakPolarHBondContact O-CB 3.43Å; H247-M251 PolarHBondContact O-N 2.9Å; M251-A253 PolarHBondContact O-N 3.01Å
252G84.6Confident92.8Very high65 Ų6533.4 Ų33.467%0.6720%0.202SC*.THydrogen-bonded Turntrans71.310.5-179.100000114.5T250 R254T250-G252 PolarHBondContact O-N 3.41Å; T250-G252 VanDerWaalsContact O-N 3.13Å; G252-R254 PolarHBondContact O-N 3.32Å
253A90.4Very high92.7Very high11 Ų1135.2 Ų35.29%0.09121%0.21CC..  trans-57.2132.8-178.600000112.1T250 M251 D257 I285T250-A253 WeakPolarHBondContact O-CB 3.45Å; T250-A253 PolarHBondContact O-N 3.31Å; T250-A253 VanDerWaalsContact O-N 3.15Å; M251-A253 PolarHBondContact O-N 3.01Å; A253-D257 WeakPolarHBondContact CA-OD2 3.28Å; A253-I285 HydrophobicContact CB-CD1 3.6Å; A253-I285 HydrophobicContact CB-CG1 4.06Å; A253-I285 HydrophobicContact CB-CG2 4.05Å
254R91.9Very high92.6Very high79 Ų7935.3 Ų35.330%0.29821%0.21SC..  trans-100.7152.6-179.9-52.1174.9-61.4177.715.1109P148 G252 T256 D257P148-R254 VanDerWaalsContact CD-NH2 3.32Å; P148-R254 PolarHBondContact O-NH1 3.39Å; P148-R254 PolarHBondContact O-NH2 3.15Å; G252-R254 PolarHBondContact O-N 3.32Å; R254-T256 PolarHBondContact O-N 3.21Å; R254-D257 WeakPolarHBondContact CB-OD1 3.18Å; R254-D257 IonicContact CZ-OD1 3.96Å; R254-D257 VanDerWaalsContact CZ-OD1 3.3Å; R254-D257 PolarHBondContact N-OD2 2.87Å; R254-D257 IonicContact NE-OD1 2.73Å; R254-D257 PolarHBondContact NE-OD1 3.06Å; R254-D257 IonicContact NH2-OD1 3.91Å; R254-D257 PolarHBondContact NH2-OD1 3.2Å; R254-D257 PolarHBondContact O-N 3.18Å
255L93.9Very high92.7Very high66 Ų6634.5 Ų34.535%0.34620%0.2SC..THydrogen-bonded Turntrans-64.8-11.6177.8-62.9-178.9000113.6I285L255-I285 HydrophobicContact CD2-CG2 3.97Å
256T93.6Very high92.8Very high72 Ų7237.5 Ų37.544%0.44222%0.219SC..THydrogen-bonded Turntrans-105.91.2-176.856.20000113R254 Y258 D259R254-T256 PolarHBondContact O-N 3.21Å; T256-Y258 PolarHBondContact O-N 2.87Å; T256-Y258 VanDerWaalsContact O-N 3.1Å; T256-D259 WeakPolarHBondContact CB-OD2 3.48Å; T256-D259 WeakPolarHBondContact CG2-OD2 3.49Å; T256-D259 WeakPolarHBondContact O-CB 3.3Å; T256-D259 PolarHBondContact O-N 3.23Å
257D93.8Very high93Very high41 Ų4138.7 Ų38.722%0.21923%0.233CC..THydrogen-bonded Turntrans-67.4-13.7-172.6-74.4-17000113.7A253 R254A253-D257 WeakPolarHBondContact CA-OD2 3.28Å; R254-D257 WeakPolarHBondContact CB-OD1 3.18Å; R254-D257 IonicContact CZ-OD1 3.96Å; R254-D257 VanDerWaalsContact CZ-OD1 3.3Å; R254-D257 PolarHBondContact N-OD2 2.87Å; R254-D257 IonicContact NE-OD1 2.73Å; R254-D257 PolarHBondContact NE-OD1 3.06Å; R254-D257 IonicContact NH2-OD1 3.91Å; R254-D257 PolarHBondContact NH2-OD1 3.2Å; R254-D257 PolarHBondContact O-N 3.18Å
258Y96.6Very high93.6Very high11 Ų1136.7 Ų36.74%0.04322%0.224CC..THydrogen-bonded Turntrans-110.410.3174.5-78.5-103.3000113.6V219 V222 T256 E260 L261 I273 M275 I301V219-Y258 HydrophobicContact CB-CD1 4.16Å; V219-Y258 HydrophobicContact CB-CE1 4.4Å; V219-Y258 HydrophobicContact CG2-CD1 3.79Å; V219-Y258 HydrophobicContact CG2-CE1 4.45Å; V219-Y258 HydrophobicContact CG2-CG 4.27Å; V222-Y258 HydrophobicContact CB-CE1 4.41Å; V222-Y258 HydrophobicContact CG2-CE1 3.76Å; T256-Y258 PolarHBondContact O-N 2.87Å; T256-Y258 VanDerWaalsContact O-N 3.1Å; Y258-E260 PolarHBondContact O-N 2.7Å; Y258-E260 VanDerWaalsContact O-N 3.1Å; Y258-L261 HydrophobicContact CD1-CD1 4.04Å; Y258-L261 WeakPolarHBondContact O-CB 3.31Å; Y258-L261 PolarHBondContact O-N 3.05Å; Y258-I273 HydrophobicContact CD1-CD1 4Å; Y258-I273 HydrophobicContact CD1-CG1 3.83Å; Y258-I273 HydrophobicContact CD1-CG2 4.39Å; Y258-I273 HydrophobicContact CE1-CD1 4.42Å; Y258-I273 HydrophobicContact CE1-CG1 4.42Å; Y258-I273 HydrophobicContact CE1-CG2 4.24Å; Y258-I273 HydrophobicContact CE2-CG2 4.38Å; Y258-I273 HydrophobicContact CG-CG1 3.94Å; Y258-M275 HydrophobicContact CD2-CE 4.06Å; Y258-M275 HydrophobicContact CE2-CE 3.26Å; Y258-I301 HydrophobicContact CD2-CD1 3.82Å; Y258-I301 HydrophobicContact CG-CD1 4.37Å
259D95.6Very high94.1Very high59 Ų5935.5 Ų35.532%0.31621%0.211SC..THydrogen-bonded Turntrans-62.3-19.6-179.6-76.3-4.8000113.1T256 L261 S262 H263T256-D259 WeakPolarHBondContact CB-OD2 3.48Å; T256-D259 WeakPolarHBondContact CG2-OD2 3.49Å; T256-D259 WeakPolarHBondContact O-CB 3.3Å; T256-D259 PolarHBondContact O-N 3.23Å; D259-L261 PolarHBondContact O-N 3.38Å; D259-L261 VanDerWaalsContact O-N 3.15Å; D259-S262 WeakPolarHBondContact O-CA 3.22Å; D259-S262 WeakPolarHBondContact O-CB 3.16Å; D259-S262 PolarHBondContact O-N 3.22Å; D259-H263 PolarHBondContact O-N 2.96Å
260E97.1Very high94.4Very high10 Ų1034.3 Ų34.35%0.04721%0.205CC..Hα-helixtrans-55.9-27.4170.2-179.964.4-174.100112.1T151 W154 W167 L216 V219 L220 Y258 S262 H263 M264T151-E260 WeakPolarHBondContact CB-OE2 3.42Å; T151-E260 PolarHBondContact OG1-OE2 2.72Å; W154-E260 PolarHBondContact NE1-OE1 3.3Å; W167-E260 PolarHBondContact NE1-OE1 3.15Å; L216-E260 HydrophobicContact CD2-CG 4.38Å; V219-E260 HydrophobicContact CB-CB 4.36Å; V219-E260 HydrophobicContact CG1-CB 3.66Å; V219-E260 HydrophobicContact CG1-CG 3.86Å; V219-E260 HydrophobicContact CG2-CB 3.78Å; V219-E260 HydrophobicContact CG2-CG 4.36Å; L220-E260 HydrophobicContact CD2-CG 3.96Å; Y258-E260 PolarHBondContact O-N 2.7Å; Y258-E260 VanDerWaalsContact O-N 3.1Å; E260-S262 VanDerWaalsContact C-N 3.3Å; E260-S262 PolarHBondContact O-N 3.48Å; E260-H263 WeakPolarHBondContact O-CB 3.37Å; E260-H263 PolarHBondContact O-N 2.82Å; E260-H263 VanDerWaalsContact O-N 3.11Å; E260-H263 IonicContact OE2-CG 2.65Å; E260-H263 IonicContact OE2-ND1 3.45Å; E260-H263 PolarHBondContact OE2-ND1 3.47Å; E260-M264 WeakPolarHBondContact O-CB 3.37Å; E260-M264 PolarHBondContact O-N 3.13Å
261L97.8Very high94.7Very high0 Ų034.2 Ų34.20%021%0.205CC..Hα-helixtrans-65.6-32.7172.1-64.6176.5000112.3V219 V222 Y258 D259 H263 M264 F265 I271 I273 V299V219-L261 HydrophobicContact CG2-CD1 4.45Å; V219-L261 HydrophobicContact CG2-CD2 4.01Å; V219-L261 HydrophobicContact CG2-CG 3.67Å; V222-L261 HydrophobicContact CB-CD2 4.46Å; V222-L261 HydrophobicContact CG1-CD1 4.03Å; V222-L261 HydrophobicContact CG1-CD2 4.3Å; Y258-L261 HydrophobicContact CD1-CD1 4.04Å; Y258-L261 WeakPolarHBondContact O-CB 3.31Å; Y258-L261 PolarHBondContact O-N 3.05Å; D259-L261 PolarHBondContact O-N 3.38Å; D259-L261 VanDerWaalsContact O-N 3.15Å; L261-H263 VanDerWaalsContact C-N 3.31Å; L261-M264 PolarHBondContact O-N 3.3Å; L261-F265 HydrophobicContact CD2-CE2 4.39Å; L261-F265 WeakPolarHBondContact O-CB 3.48Å; L261-F265 WeakPolarHBondContact O-CD2 3.46Å; L261-F265 PolarHBondContact O-N 2.96Å; L261-I271 HydrophobicContact CB-CD1 4.04Å; L261-I271 HydrophobicContact CD1-CG2 4.02Å; L261-I273 HydrophobicContact CD1-CD1 3.85Å; L261-V299 HydrophobicContact CB-CG2 4.07Å
262S97.3Very high95.2Very high25 Ų2530.3 Ų30.318%0.17519%0.185CC..Hα-helixtrans-73.1-25.6172.7-64.70000112.2D259 E260 F265 P266 H268D259-S262 WeakPolarHBondContact O-CA 3.22Å; D259-S262 WeakPolarHBondContact O-CB 3.16Å; D259-S262 PolarHBondContact O-N 3.22Å; E260-S262 VanDerWaalsContact C-N 3.3Å; E260-S262 PolarHBondContact O-N 3.48Å; S262-F265 CarbonylContact O-C 3.6Å; S262-P266 WeakPolarHBondContact O-CA 3.31Å; S262-H268 PolarHBondContact OG-NE2 2.75Å
263H96.6Very high95.9Very high39 Ų3927.2 Ų27.218%0.18115%0.153CC..Hα-helixtrans-74.2-38.1171.3-63.4165.1000112.2T151 W154 D259 E260 L261T151-H263 PolarHBondContact O-CE1 2.7Å; T151-H263 PolarHBondContact O-ND1 2.99Å; T151-H263 PolarHBondContact OG1-CE1 3.12Å; T151-H263 PolarHBondContact OG1-ND1 3.36Å; W154-H263 WeakPolarHBondContact CB-O 3.45Å; W154-H263 PolarHBondContact N-O 3.06Å; W154-H263 VanDerWaalsContact N-O 3.16Å; D259-H263 PolarHBondContact O-N 2.96Å; E260-H263 WeakPolarHBondContact O-CB 3.37Å; E260-H263 PolarHBondContact O-N 2.82Å; E260-H263 VanDerWaalsContact O-N 3.11Å; E260-H263 IonicContact OE2-CG 2.65Å; E260-H263 IonicContact OE2-ND1 3.45Å; E260-H263 PolarHBondContact OE2-ND1 3.47Å; L261-H263 VanDerWaalsContact C-N 3.31Å
264M96.9Very high96.2Very high2 Ų226.7 Ų26.71%0.0115%0.149CC..Hα-helixtrans-71.5-40175.8-175.5173.5-175.100112.2W154 P158 G223 Q227 E260 L261 P266W154-M264 HydrophobicContact CD2-CB 4.03Å; W154-M264 HydrophobicContact CD2-CG 4.06Å; W154-M264 HydrophobicContact CE3-CB 4.39Å; W154-M264 HydrophobicContact CE3-CG 3.92Å; W154-M264 HydrophobicContact CH2-CB 4.31Å; W154-M264 HydrophobicContact CH2-CE 3.68Å; W154-M264 HydrophobicContact CH2-CG 3.63Å; W154-M264 HydrophobicContact CH2-SD 3.64Å; W154-M264 HydrophobicContact CZ2-CB 3.89Å; W154-M264 HydrophobicContact CZ2-CE 4.49Å; W154-M264 HydrophobicContact CZ2-CG 3.73Å; W154-M264 HydrophobicContact CZ2-SD 3.87Å; W154-M264 HydrophobicContact CZ3-CE 3.98Å; W154-M264 HydrophobicContact CZ3-CG 3.73Å; W154-M264 HydrophobicContact CZ3-SD 4.23Å; P158-M264 HydrophobicContact CB-CE 3.74Å; P158-M264 HydrophobicContact CB-CG 4.18Å; P158-M264 HydrophobicContact CG-CE 4.39Å; P158-M264 HydrophobicContact CG-CG 3.79Å; P158-M264 WeakPolarHBondContact CG-O 3.38Å; G223-M264 VanDerWaalsContact CA-SD 3.57Å; Q227-M264 HydrophobicContact CG-CE 4.16Å; E260-M264 WeakPolarHBondContact O-CB 3.37Å; E260-M264 PolarHBondContact O-N 3.13Å; L261-M264 PolarHBondContact O-N 3.3Å; M264-P266 VanDerWaalsContact C-CD 3.41Å; M264-P266 VanDerWaalsContact O-CD 3.29Å; M264-P266 WeakPolarHBondContact O-CD 3.33Å
265F96.3Very high96.5Very high8 Ų823.1 Ų23.14%0.03514%0.136CC..SBendtrans-12166.3-177.6-54.4-73.5000112.1P158 I226 Q227 P233 Y234 L261 S262 G267 H268 I271P158-F265 HydrophobicContact CB-CE1 3.94Å; P158-F265 HydrophobicContact CB-CZ 4.45Å; P158-F265 HydrophobicContact CG-CD1 3.84Å; P158-F265 HydrophobicContact CG-CE1 3.62Å; P158-F265 HydrophobicContact CG-CZ 4.4Å; I226-F265 HydrophobicContact CB-CZ 4.43Å; I226-F265 HydrophobicContact CD1-CE2 4.17Å; I226-F265 HydrophobicContact CG2-CE2 4.33Å; I226-F265 HydrophobicContact CG2-CZ 3.93Å; Q227-F265 HydrophobicContact CG-CZ 4.39Å; P233-F265 HydrophobicContact CB-CB 4.32Å; P233-F265 HydrophobicContact CB-CG 4.38Å; P233-F265 HydrophobicContact CG-CB 4.25Å; P233-F265 HydrophobicContact CG-CD1 3.83Å; P233-F265 HydrophobicContact CG-CD2 4.04Å; P233-F265 HydrophobicContact CG-CE1 4.11Å; P233-F265 HydrophobicContact CG-CE2 4.31Å; P233-F265 HydrophobicContact CG-CG 3.78Å; P233-F265 HydrophobicContact CG-CZ 4.34Å; Y234-F265 HydrophobicContact CE1-CB 4.49Å; Y234-F265 HydrophobicContact CE2-CD1 4.35Å; Y234-F265 WeakPolarHBondContact OH-CA 3.16Å; L261-F265 HydrophobicContact CD2-CE2 4.39Å; L261-F265 WeakPolarHBondContact O-CB 3.48Å; L261-F265 WeakPolarHBondContact O-CD2 3.46Å; L261-F265 PolarHBondContact O-N 2.96Å; S262-F265 CarbonylContact O-C 3.6Å; F265-G267 PolarHBondContact O-N 3.48Å; F265-G267 VanDerWaalsContact O-N 3.14Å; F265-H268 HydrophobicContact CB-CB 4.15Å; F265-H268 WeakPolarHBondContact O-CB 3.36Å; F265-H268 PolarHBondContact O-CD2 3.46Å; F265-H268 VanDerWaalsContact O-CD2 3.27Å; F265-H268 PolarHBondContact O-N 3.05Å; F265-H268 VanDerWaalsContact O-N 3.12Å; F265-I271 HydrophobicContact CD2-CD1 4.41Å
266P94.9Very high96.7Very high66 Ų6620 Ų2043%0.42912%0.12SC..THydrogen-bonded Turntrans-63.9117.8-17625.8-35000111.4Y234 S262 M264Y234-P266 VanDerWaalsContact CE1-O 3.28Å; Y234-P266 WeakPolarHBondContact CE1-O 3.39Å; S262-P266 WeakPolarHBondContact O-CA 3.31Å; M264-P266 VanDerWaalsContact C-CD 3.41Å; M264-P266 VanDerWaalsContact O-CD 3.29Å; M264-P266 WeakPolarHBondContact O-CD 3.33Å
267G95.2Very high96.8Very high37 Ų3716.6 Ų16.638%0.38110%0.099SC..THydrogen-bonded Turntrans97.110.1-176.800000115.1F265 Q269F265-G267 PolarHBondContact O-N 3.48Å; F265-G267 VanDerWaalsContact O-N 3.14Å; G267-Q269 PolarHBondContact O-NE2 2.96Å
268H97.2Very high96.6Very high1 Ų115.9 Ų15.91%0.00510%0.096CC..  trans-54.5148.4173.571.5103.4000113.4P233 S262 F265 G270 I271 H297 K298P233-H268 HydrophobicContact CB-CB 3.68Å; P233-H268 CarbonylContact O-C 3.55Å; P233-H268 VanDerWaalsContact O-CA 3.31Å; P233-H268 WeakPolarHBondContact O-CA 3.36Å; S262-H268 PolarHBondContact OG-NE2 2.75Å; F265-H268 HydrophobicContact CB-CB 4.15Å; F265-H268 WeakPolarHBondContact O-CB 3.36Å; F265-H268 PolarHBondContact O-CD2 3.46Å; F265-H268 VanDerWaalsContact O-CD2 3.27Å; F265-H268 PolarHBondContact O-N 3.05Å; F265-H268 VanDerWaalsContact O-N 3.12Å; H268-G270 WeakPolarHBondContact ND1-CA 3.42Å; H268-G270 PolarHBondContact ND1-N 2.83Å; H268-G270 VanDerWaalsContact ND1-N 3.19Å; H268-G270 PolarHBondContact O-N 3.13Å; H268-I271 HydrophobicContact CB-CD1 4.33Å; H268-I271 WeakPolarHBondContact ND1-CG1 3.23Å; H268-I271 PolarHBondContact ND1-N 3.05Å; H268-H297 VanDerWaalsContact NE2-C 3.29Å; H268-H297 WeakPolarHBondContact O-CA 3.38Å; H268-H297 PolarHBondContact O-CD2 3.38Å; H268-H297 PolarHBondContact O-N 3.15Å; H268-K298 VanDerWaalsContact CE1-C 3.45Å; H268-K298 PolarHBondContact CE1-N 3.39Å; H268-K298 VanDerWaalsContact CE1-N 3.33Å; H268-K298 PolarHBondContact CE1-O 3.43Å; H268-K298 VanDerWaalsContact CE1-O 3.25Å; H268-K298 PolarHBondContact NE2-N 3.19Å
269Q97.4Very high96.3Very high44 Ų4416.2 Ų16.221%0.20610%0.099CC..SBendtrans-75.56.2-176.9-64.4-56.8-64.100114.4P233 Y234 P237 G267P233-Q269 PolarHBondContact O-N 3.43Å; Y234-Q269 VanDerWaalsContact O-CG 3.25Å; Y234-Q269 WeakPolarHBondContact O-CG 3.25Å; P237-Q269 HydrophobicContact CG-CB 4.02Å; P237-Q269 WeakPolarHBondContact CG-O 3.39Å; G267-Q269 PolarHBondContact O-NE2 2.96Å
270G97.4Very high96.1Very high0 Ų013.4 Ų13.40%08%0.084CC..  trans121.3136.4-176.700000110.5P237 L238 H268 P295P237-G270 CarbonylContact C-O 3.48Å; P237-G270 WeakPolarHBondContact CA-O 3.33Å; L238-G270 PolarHBondContact N-O 3.17Å; H268-G270 WeakPolarHBondContact ND1-CA 3.42Å; H268-G270 PolarHBondContact ND1-N 2.83Å; H268-G270 VanDerWaalsContact ND1-N 3.19Å; H268-G270 PolarHBondContact O-N 3.13Å; G270-P295 WeakPolarHBondContact CA-O 3.4Å
271I98.1Very high95.7Very high0 Ų013.5 Ų13.50%08%0.084CC..EExtended strand (participates in β ladder)trans-128.3128.1174.3-66.8162.6000107.3P233 L238 L261 F265 H268 I273 K298 V299 Y300P233-I271 HydrophobicContact CB-CD1 4.32Å; L238-I271 CarbonylContact O-C 3.52Å; L238-I271 WeakPolarHBondContact O-CA 3.49Å; L261-I271 HydrophobicContact CB-CD1 4.04Å; L261-I271 HydrophobicContact CD1-CG2 4.02Å; F265-I271 HydrophobicContact CD2-CD1 4.41Å; H268-I271 HydrophobicContact CB-CD1 4.33Å; H268-I271 WeakPolarHBondContact ND1-CG1 3.23Å; H268-I271 PolarHBondContact ND1-N 3.05Å; I271-I273 HydrophobicContact CG2-CD1 3.91Å; I271-K298 PolarHBondContact N-O 3.2Å; I271-V299 HydrophobicContact CB-CG2 4.43Å; I271-V299 HydrophobicContact CG2-CG1 4.49Å; I271-V299 CarbonylContact O-C 3.55Å; I271-V299 VanDerWaalsContact O-CA 3.28Å; I271-V299 WeakPolarHBondContact O-CA 3.21Å; I271-Y300 PolarHBondContact O-N 3.36Å
272E97.7Very high95.2Very high0 Ų017.8 Ų17.80%011%0.108CC..EExtended strand (participates in β ladder)trans-105.4134.4170.7179.3173.2-15300110.2L238 V240 V274 L290 Y300L238-E272 PolarHBondContact O-N 2.96Å; V240-E272 PolarHBondContact N-O 2.96Å; E272-V274 HydrophobicContact CG-CG2 3.73Å; E272-L290 WeakPolarHBondContact OE1-CB 3.44Å; E272-L290 WeakPolarHBondContact OE1-CG 3.35Å; E272-L290 PolarHBondContact OE1-N 2.94Å; E272-Y300 CarbonylContact C-O 3.59Å; E272-Y300 WeakPolarHBondContact CA-O 3.34Å; E272-Y300 HydrophobicContact CG-CD1 4.14Å
273I98.1Very high94.7Very high0 Ų018.8 Ų18.80%012%0.121CC..EExtended strand (participates in β ladder)trans-112.8112.8170.8-53-57.6000107.4V222 V240 I242 Y258 L261 I271 M275 V299 Y300 I301 S302V222-I273 HydrophobicContact CG1-CD1 4.33Å; V240-I273 HydrophobicContact CB-CD1 3.79Å; V240-I273 HydrophobicContact CG1-CD1 4.33Å; V240-I273 HydrophobicContact CG2-CD1 4.11Å; V240-I273 CarbonylContact O-C 3.52Å; V240-I273 WeakPolarHBondContact O-CA 3.41Å; I242-I273 HydrophobicContact CD1-CG2 4.27Å; I242-I273 HydrophobicContact CG1-CG2 3.56Å; Y258-I273 HydrophobicContact CD1-CD1 4Å; Y258-I273 HydrophobicContact CD1-CG1 3.83Å; Y258-I273 HydrophobicContact CD1-CG2 4.39Å; Y258-I273 HydrophobicContact CE1-CD1 4.42Å; Y258-I273 HydrophobicContact CE1-CG1 4.42Å; Y258-I273 HydrophobicContact CE1-CG2 4.24Å; Y258-I273 HydrophobicContact CE2-CG2 4.38Å; Y258-I273 HydrophobicContact CG-CG1 3.94Å; L261-I273 HydrophobicContact CD1-CD1 3.85Å; I271-I273 HydrophobicContact CG2-CD1 3.91Å; I273-M275 HydrophobicContact CG2-CE 4.23Å; I273-M275 HydrophobicContact CG2-CG 4.31Å; I273-V299 HydrophobicContact CG1-CG1 3.79Å; I273-Y300 PolarHBondContact N-O 3.49Å; I273-I301 HydrophobicContact CB-CG1 4.37Å; I273-I301 CarbonylContact O-C 3.53Å; I273-I301 WeakPolarHBondContact O-CA 3.32Å; I273-S302 PolarHBondContact O-N 3.2Å
274V97.8Very high94.4Very high1 Ų126.7 Ų26.71%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-106108.8176.4-1690000108.9T239 V240 H241 I242 E272 V276 P289 F311T239-V274 HydrophobicContact CG2-CG2 4.2Å; V240-V274 PolarHBondContact O-N 2.58Å; H241-V274 CarbonylContact C-O 3.46Å; H241-V274 WeakPolarHBondContact CA-O 3.49Å; I242-V274 PolarHBondContact N-O 3.46Å; E272-V274 HydrophobicContact CG-CG2 3.73Å; V274-V276 HydrophobicContact CG1-CG2 3.95Å; V274-P289 HydrophobicContact CG1-CB 4.14Å; V274-P289 HydrophobicContact CG1-CG 3.9Å; V274-P289 HydrophobicContact CG2-CB 4.36Å; V274-F311 HydrophobicContact CG1-CE1 4.49Å; V274-F311 HydrophobicContact CG1-CZ 3.92Å
275M98.1Very high94.2Very high4 Ų426.6 Ų26.62%0.0215%0.149CC..EExtended strand (participates in β ladder)trans-88.3117.5179.1-64.2176.8177.200111I242 A245 T250 Y258 I273 I285 I301 S302 A303 Y304I242-M275 HydrophobicContact CB-CG 4.12Å; I242-M275 HydrophobicContact CG1-CG 4.26Å; A245-M275 HydrophobicContact CB-CB 3.92Å; T250-M275 HydrophobicContact CG2-SD 4.04Å; Y258-M275 HydrophobicContact CD2-CE 4.06Å; Y258-M275 HydrophobicContact CE2-CE 3.26Å; I273-M275 HydrophobicContact CG2-CE 4.23Å; I273-M275 HydrophobicContact CG2-CG 4.31Å; M275-I285 HydrophobicContact SD-CD1 3.52Å; M275-I285 VanDerWaalsContact SD-CD1 3.52Å; M275-I301 HydrophobicContact CE-CG2 4.1Å; M275-I301 HydrophobicContact SD-CG2 4.31Å; M275-S302 PolarHBondContact N-O 3.44Å; M275-A303 HydrophobicContact CB-CB 4.03Å; M275-A303 CarbonylContact O-C 3.53Å; M275-A303 WeakPolarHBondContact O-CA 3.37Å; M275-Y304 PolarHBondContact O-N 2.68Å
276V97.9Very high93.9Very high0 Ų028.7 Ų28.70%016%0.163CC..EExtended strand (participates in β ladder)trans-123.3123.1-175.4-172.20000109.9I242 V243 G244 A245 V274 Y304 Y308 F311I242-V276 PolarHBondContact O-N 2.94Å; V243-V276 CarbonylContact C-O 3.48Å; G244-V276 PolarHBondContact N-O 3Å; A245-V276 PolarHBondContact N-O 3.33Å; V274-V276 HydrophobicContact CG1-CG2 3.95Å; V276-Y304 WeakPolarHBondContact CA-O 3.44Å; V276-Y304 HydrophobicContact CG1-CD1 4.19Å; V276-Y308 HydrophobicContact CB-CD2 4.07Å; V276-Y308 HydrophobicContact CG1-CD2 4Å; V276-Y308 HydrophobicContact CG2-CD2 4.31Å; V276-F311 HydrophobicContact CB-CD1 4.5Å; V276-F311 HydrophobicContact CG1-CB 3.62Å; V276-F311 HydrophobicContact CG1-CD1 4.07Å; V276-F311 HydrophobicContact CG1-CG 3.81Å; V276-F311 HydrophobicContact CG2-CD1 3.7Å; V276-F311 HydrophobicContact CG2-CD2 4.37Å; V276-F311 HydrophobicContact CG2-CE1 3.82Å; V276-F311 HydrophobicContact CG2-CE2 4.48Å; V276-F311 HydrophobicContact CG2-CG 3.97Å; V276-F311 HydrophobicContact CG2-CZ 4.23Å
277G95.1Very high93.8Very high1 Ų129 Ų291%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-176.3160.2172.100000114A245 E279 V280 Y304 K305 G306A245-G277 WeakPolarHBondContact O-CA 3.35Å; G277-E279 PolarHBondContact O-N 3.38Å; G277-V280 VanDerWaalsContact O-CG2 3.32Å; G277-V280 WeakPolarHBondContact O-CG2 3.46Å; G277-V280 PolarHBondContact O-N 3.43Å; G277-Y304 PolarHBondContact N-O 3.25Å; G277-K305 WeakPolarHBondContact O-CA 3.34Å; G277-G306 CarbonylContact C-O 3.56Å; G277-G306 WeakPolarHBondContact CA-O 3.32Å; G277-G306 PolarHBondContact N-O 3.32Å; G277-G306 PolarHBondContact O-N 3.06Å
278P90.1Very high93.5Very high25 Ų2532.1 Ų32.116%0.16217%0.169CC..THydrogen-bonded Turntrans-69.2-23.4-177.528.4-34.8000112.6F20 K305 L307F20-P278 HydrophobicContact CD1-CB 4.38Å; F20-P278 HydrophobicContact CE1-CB 4.07Å; P278-K305 WeakPolarHBondContact O-CE 3.32Å; P278-L307 HydrophobicContact CB-CD2 4.2Å; P278-L307 HydrophobicContact CG-CD2 4.07Å
279E88.9Confident93.3Very high19 Ų1932.9 Ų32.99%0.08917%0.174CC..THydrogen-bonded Turntrans-103.715.8-176.4-66.8179.590.900113F20 S21 D22 S246 H247 G277 V281F20-E279 HydrophobicContact CD1-CG 3.89Å; S21-E279 VanDerWaalsContact CB-OE2 3.29Å; S21-E279 WeakPolarHBondContact CB-OE2 3.45Å; S21-E279 PolarHBondContact N-OE2 3.47Å; S21-E279 VanDerWaalsContact OG-CD 3.28Å; S21-E279 PolarHBondContact OG-OE1 3.14Å; S21-E279 PolarHBondContact OG-OE2 3.12Å; D22-E279 WeakPolarHBondContact CB-OE1 3.37Å; D22-E279 VanDerWaalsContact CG-OE1 3.26Å; D22-E279 PolarHBondContact N-OE1 3.32Å; S246-E279 CarbonylContact C-O 3.14Å; H247-E279 PolarHBondContact N-O 2.87Å; H247-E279 IonicContact ND1-OE1 3.3Å; G277-E279 PolarHBondContact O-N 3.38Å; E279-V281 PolarHBondContact O-N 2.91Å
280V91.4Very high93Very high0 Ų032.5 Ų32.50%017%0.173CC..PPolyproline II helixtrans-56.8130170.81690000109.7A245 T250 G277 V286 A303 K305A245-V280 HydrophobicContact CB-CG2 4.07Å; T250-V280 HydrophobicContact CG2-CG1 4.28Å; T250-V280 HydrophobicContact CG2-CG2 4.18Å; G277-V280 VanDerWaalsContact O-CG2 3.32Å; G277-V280 WeakPolarHBondContact O-CG2 3.46Å; G277-V280 PolarHBondContact O-N 3.43Å; V280-V286 HydrophobicContact CG1-CG2 3.93Å; V280-A303 HydrophobicContact CG1-CB 3.96Å; V280-K305 HydrophobicContact CB-CB 4.17Å; V280-K305 HydrophobicContact CB-CG 4.38Å; V280-K305 HydrophobicContact CG1-CB 4.48Å; V280-K305 PolarHBondContact O-NZ 2.9Å
281V89.2Confident92.5Very high11 Ų1141.3 Ų41.37%0.06721%0.206CC..PPolyproline II helixtrans-92.8139.1179.2178.20000110.2V56 H247 T250 E279 V286V56-V281 HydrophobicContact CG1-CG2 4.09Å; V56-V281 WeakPolarHBondContact O-CG1 3.44Å; V56-V281 WeakPolarHBondContact O-CG2 3.47Å; H247-V281 HydrophobicContact CB-CG2 3.64Å; T250-V281 PolarHBondContact OG1-N 3.33Å; E279-V281 PolarHBondContact O-N 2.91Å; V281-V286 VanDerWaalsContact O-CG2 3.22Å; V281-V286 WeakPolarHBondContact O-CG2 3.35Å
282D87.5Confident91.7Very high91 Ų9144.3 Ų44.349%0.48723%0.231SC..PPolyproline II helixtrans-59.7136.4175.3-70.7-30.3000111
283G87.6Confident91Very high45 Ų4551 Ų5146%0.46426%0.26SS..SBendtrans177.2-168.7-174.700000113.3I285 V286G283-I285 PolarHBondContact O-N 2.97Å; G283-V286 PolarHBondContact O-N 3.44Å
284R89.6Confident90.2Very high205 Ų20551.4 Ų51.477%0.77426%0.264SS*.THydrogen-bonded Turntrans-65.5-27-176.1-64.6-176.5-178.9-169.51.6113.6
285I92Very high89.8Confident1 Ų154.1 Ų54.11%0.00528%0.282CS..THydrogen-bonded Turntrans-84-16.4179.862.1161000112.7T250 A253 L255 M275 G283 R287 I301 S302 A303T250-I285 HydrophobicContact CG2-CD1 3.89Å; A253-I285 HydrophobicContact CB-CD1 3.6Å; A253-I285 HydrophobicContact CB-CG1 4.06Å; A253-I285 HydrophobicContact CB-CG2 4.05Å; L255-I285 HydrophobicContact CD2-CG2 3.97Å; M275-I285 HydrophobicContact SD-CD1 3.52Å; M275-I285 VanDerWaalsContact SD-CD1 3.52Å; G283-I285 PolarHBondContact O-N 2.97Å; I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 3.2Å; I285-I301 HydrophobicContact CB-CG2 4.02Å; I285-I301 HydrophobicContact CG2-CB 4.3Å; I285-I301 HydrophobicContact CG2-CG2 3.78Å; I285-S302 CarbonylContact O-C 3.04Å; I285-S302 WeakPolarHBondContact O-CA 3.47Å; I285-A303 HydrophobicContact CD1-CB 4Å; I285-A303 HydrophobicContact CG1-CB 4.14Å; I285-A303 PolarHBondContact O-N 3.08Å
286V91.8Very high89.6Confident52 Ų5260.2 Ų60.232%0.31531%0.308SS..  trans-77.387.7177.2-175.60000108.5V280 V281 G283 A303V280-V286 HydrophobicContact CG1-CG2 3.93Å; V281-V286 VanDerWaalsContact O-CG2 3.22Å; V281-V286 WeakPolarHBondContact O-CG2 3.35Å; G283-V286 PolarHBondContact O-N 3.44Å; V286-A303 HydrophobicContact CG2-CB 4.17Å
287R92.5Very high89.5Confident72 Ų7265.4 Ų65.427%0.27233%0.333SS..SBendtrans-148157.1179.463.6-171.8-179.7173.82.5108.6I285 Y300 I301 S302I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 3.2Å; R287-Y300 VanDerWaalsContact CZ-CE2 3.45Å; R287-Y300 PolarHBondContact NE-OH 2.87Å; R287-Y300 VanDerWaalsContact NH2-CE2 3.33Å; R287-I301 PolarHBondContact NE-O 3.34Å; R287-I301 PolarHBondContact NH2-O 2.94Å; R287-S302 WeakPolarHBondContact O-CB 3.44Å
288P88.9Confident89.5Confident102 Ų10271.8 Ų71.866%0.66236%0.36SS*.PPolyproline II helixtrans-55.3137.2-175.1-26.735.2000112.4Y300P288-Y300 PolarHBondContact O-OH 3.08Å
289P92.4Very high89.8Confident17 Ų1771.3 Ų71.311%0.1136%0.356CS..PPolyproline II helixtrans-59159.4166.6-19.731.6000111.5V274 F311 A321V274-P289 HydrophobicContact CG1-CB 4.14Å; V274-P289 HydrophobicContact CG1-CG 3.9Å; V274-P289 HydrophobicContact CG2-CB 4.36Å; P289-F311 HydrophobicContact CG-CE2 3.99Å; P289-F311 HydrophobicContact CG-CZ 4.27Å; P289-A321 HydrophobicContact CB-CB 3.75Å; P289-A321 HydrophobicContact CG-CB 4.26Å
290L91.8Very high90.2Very high37 Ų3772.4 Ų72.419%0.19436%0.36CS..PPolyproline II helixtrans-80.2134.8178.8-56.7175.7000110.7E272 A292 Y300 A322E272-L290 WeakPolarHBondContact OE1-CB 3.44Å; E272-L290 WeakPolarHBondContact OE1-CG 3.35Å; E272-L290 PolarHBondContact OE1-N 2.94Å; L290-A292 WeakPolarHBondContact CB-O 3.46Å; L290-Y300 HydrophobicContact CD1-CD1 3.65Å; L290-Y300 HydrophobicContact CD1-CD2 4.29Å; L290-Y300 HydrophobicContact CD1-CE1 4.07Å; L290-Y300 HydrophobicContact CD1-CG 3.77Å; L290-Y300 HydrophobicContact CD2-CD1 4.19Å; L290-Y300 HydrophobicContact CD2-CD2 4.5Å; L290-Y300 HydrophobicContact CD2-CE1 3.75Å; L290-Y300 HydrophobicContact CD2-CE2 4.09Å; L290-Y300 HydrophobicContact CG-CD1 3.69Å; L290-Y300 HydrophobicContact CG-CE1 3.6Å; L290-Y300 HydrophobicContact CG-CG 4.24Å; L290-A322 PolarHBondContact O-N 2.91Å; L290-A322 VanDerWaalsContact O-N 3.15Å
291R86.9Confident90.4Very high184 Ų18472.4 Ų72.469%0.69436%0.36SS*.SBendtrans-72-22169.6-64.2-175.7177.9-170.7-4112.8E320R291-E320 WeakPolarHBondContact CG-O 3.06Å
292A79.8Confident90.8Very high63 Ų6371.9 Ų71.952%0.52136%0.357SS..SBendtrans-133.4-169.6-17700000108.7L290L290-A292 WeakPolarHBondContact CB-O 3.46Å
293F83.6Confident91.2Very high141 Ų14167.8 Ų67.862%0.61834%0.336SS*.PPolyproline II helixtrans-70.9149.7-173.2-57.3-62.1000114.6P237P237-F293 HydrophobicContact CB-CB 3.58Å; P237-F293 HydrophobicContact CB-CD1 3.66Å; P237-F293 HydrophobicContact CB-CG 3.78Å; P237-F293 HydrophobicContact CG-CB 3.53Å; P237-F293 HydrophobicContact CG-CD1 3.83Å; P237-F293 HydrophobicContact CG-CD2 4.17Å; P237-F293 HydrophobicContact CG-CG 3.56Å
294G81.4Confident91.6Very high8 Ų868.9 Ų68.98%0.08233%0.326CS..PPolyproline II helixtrans-57.4155.8170.500000113.5K296G294-K296 PolarHBondContact O-N 3.35Å
295P89.1Confident91.8Very high58 Ų5862.2 Ų62.238%0.37730%0.303SS..PPolyproline II helixtrans-60.1135.9176.421-27.9000111.5G270 H297 K298G270-P295 WeakPolarHBondContact CA-O 3.4Å; P295-H297 PolarHBondContact O-N 3Å; P295-K298 HydrophobicContact CB-CB 4.21Å; P295-K298 HydrophobicContact CB-CD 4.37Å; P295-K298 HydrophobicContact CG-CB 3.88Å; P295-K298 HydrophobicContact CG-CD 4.38Å; P295-K298 PolarHBondContact O-N 3.35Å
296K94.6Very high91.9Very high132 Ų13262.8 Ų62.857%0.57431%0.309SS*.THydrogen-bonded Turntrans-53.8139.3178.2-66.5-166178.1-1510111.7G294 K298G294-K296 PolarHBondContact O-N 3.35Å; K296-K298 PolarHBondContact O-N 3.49Å; K296-K298 VanDerWaalsContact O-N 3.17Å
297H95.1Very high92Very high110 Ų11061.9 Ų61.951%0.50930%0.302SS..THydrogen-bonded Turntrans58.621178.6-38132.3000114.5H268 P295H268-H297 VanDerWaalsContact NE2-C 3.29Å; H268-H297 WeakPolarHBondContact O-CA 3.38Å; H268-H297 PolarHBondContact O-CD2 3.38Å; H268-H297 PolarHBondContact O-N 3.15Å; P295-H297 PolarHBondContact O-N 3Å
298K95.5Very high92.3Very high135 Ų13558.7 Ų58.759%0.58729%0.29SS*.  trans-136145.1178.8-69.4-170.7-179.3-172.90111.1H268 I271 P295 K296H268-K298 VanDerWaalsContact CE1-C 3.45Å; H268-K298 PolarHBondContact CE1-N 3.39Å; H268-K298 VanDerWaalsContact CE1-N 3.33Å; H268-K298 PolarHBondContact CE1-O 3.43Å; H268-K298 VanDerWaalsContact CE1-O 3.25Å; H268-K298 PolarHBondContact NE2-N 3.19Å; I271-K298 PolarHBondContact N-O 3.2Å; P295-K298 HydrophobicContact CB-CB 4.21Å; P295-K298 HydrophobicContact CB-CD 4.37Å; P295-K298 HydrophobicContact CG-CB 3.88Å; P295-K298 HydrophobicContact CG-CD 4.38Å; P295-K298 PolarHBondContact O-N 3.35Å; K296-K298 PolarHBondContact O-N 3.49Å; K296-K298 VanDerWaalsContact O-N 3.17Å
299V96.7Very high92.7Very high14 Ų1455.1 Ų55.19%0.08527%0.265CS..EExtended strand (participates in β ladder)trans-88.5127.9168.5-172.60000109L261 I271 I273 I301L261-V299 HydrophobicContact CB-CG2 4.07Å; I271-V299 HydrophobicContact CB-CG2 4.43Å; I271-V299 HydrophobicContact CG2-CG1 4.49Å; I271-V299 CarbonylContact O-C 3.55Å; I271-V299 VanDerWaalsContact O-CA 3.28Å; I271-V299 WeakPolarHBondContact O-CA 3.21Å; I273-V299 HydrophobicContact CG1-CG1 3.79Å; V299-I301 HydrophobicContact CG1-CG1 4.4Å
300Y96.9Very high92.9Very high42 Ų4258.3 Ų58.317%0.16528%0.278CS..EExtended strand (participates in β ladder)trans-108.3121.5174.3-176.2-89000109.5I271 E272 I273 R287 P288 L290I271-Y300 PolarHBondContact O-N 3.36Å; E272-Y300 CarbonylContact C-O 3.59Å; E272-Y300 WeakPolarHBondContact CA-O 3.34Å; E272-Y300 HydrophobicContact CG-CD1 4.14Å; I273-Y300 PolarHBondContact N-O 3.49Å; R287-Y300 VanDerWaalsContact CZ-CE2 3.45Å; R287-Y300 PolarHBondContact NE-OH 2.87Å; R287-Y300 VanDerWaalsContact NH2-CE2 3.33Å; P288-Y300 PolarHBondContact O-OH 3.08Å; L290-Y300 HydrophobicContact CD1-CD1 3.65Å; L290-Y300 HydrophobicContact CD1-CD2 4.29Å; L290-Y300 HydrophobicContact CD1-CE1 4.07Å; L290-Y300 HydrophobicContact CD1-CG 3.77Å; L290-Y300 HydrophobicContact CD2-CD1 4.19Å; L290-Y300 HydrophobicContact CD2-CD2 4.5Å; L290-Y300 HydrophobicContact CD2-CE1 3.75Å; L290-Y300 HydrophobicContact CD2-CE2 4.09Å; L290-Y300 HydrophobicContact CG-CD1 3.69Å; L290-Y300 HydrophobicContact CG-CE1 3.6Å; L290-Y300 HydrophobicContact CG-CG 4.24Å
301I96.4Very high93.1Very high1 Ų156.6 Ų56.61%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-103.6131.2176.8-51.3176.8000109.4Y258 I273 M275 I285 R287 V299Y258-I301 HydrophobicContact CD2-CD1 3.82Å; Y258-I301 HydrophobicContact CG-CD1 4.37Å; I273-I301 HydrophobicContact CB-CG1 4.37Å; I273-I301 CarbonylContact O-C 3.53Å; I273-I301 WeakPolarHBondContact O-CA 3.32Å; M275-I301 HydrophobicContact CE-CG2 4.1Å; M275-I301 HydrophobicContact SD-CG2 4.31Å; I285-I301 HydrophobicContact CB-CG2 4.02Å; I285-I301 HydrophobicContact CG2-CB 4.3Å; I285-I301 HydrophobicContact CG2-CG2 3.78Å; R287-I301 PolarHBondContact NE-O 3.34Å; R287-I301 PolarHBondContact NH2-O 2.94Å; V299-I301 HydrophobicContact CG1-CG1 4.4Å
302S96.2Very high93.6Very high0 Ų048 Ų480%024%0.237CC..EExtended strand (participates in β ladder)trans-130.1165.7168.655.60000109.8I273 M275 I285 R287I273-S302 PolarHBondContact O-N 3.2Å; M275-S302 PolarHBondContact N-O 3.44Å; I285-S302 CarbonylContact O-C 3.04Å; I285-S302 WeakPolarHBondContact O-CA 3.47Å; R287-S302 WeakPolarHBondContact O-CB 3.44Å
303A96.3Very high94.4Very high5 Ų550.3 Ų50.34%0.04124%0.236CC..EExtended strand (participates in β ladder)trans-146.2142.8177.100000111.5M275 V280 I285 V286M275-A303 HydrophobicContact CB-CB 4.03Å; M275-A303 CarbonylContact O-C 3.53Å; M275-A303 WeakPolarHBondContact O-CA 3.37Å; V280-A303 HydrophobicContact CG1-CB 3.96Å; I285-A303 HydrophobicContact CD1-CB 4Å; I285-A303 HydrophobicContact CG1-CB 4.14Å; I285-A303 PolarHBondContact O-N 3.08Å; V286-A303 HydrophobicContact CG2-CB 4.17Å
304Y95.7Very high95Very high67 Ų6747 Ų4726%0.26323%0.226SC..EExtended strand (participates in β ladder)trans-127.9127.1177.9-177.1-85.6000109.9M275 V276 G277 G306 F311 V315M275-Y304 PolarHBondContact O-N 2.68Å; V276-Y304 WeakPolarHBondContact CA-O 3.44Å; V276-Y304 HydrophobicContact CG1-CD1 4.19Å; G277-Y304 PolarHBondContact N-O 3.25Å; Y304-G306 PolarHBondContact O-N 2.96Å; Y304-F311 HydrophobicContact CD1-CB 3.77Å; Y304-F311 AromaticContact CD1-CD2 3.6Å; Y304-F311 HydrophobicContact CD1-CD2 3.6Å; Y304-F311 HydrophobicContact CD1-CG 4.05Å; Y304-F311 AromaticContact CD2-CD2 3.75Å; Y304-F311 HydrophobicContact CD2-CD2 3.75Å; Y304-F311 HydrophobicContact CD2-CE2 4.19Å; Y304-F311 HydrophobicContact CE1-CB 3.83Å; Y304-F311 HydrophobicContact CE1-CD2 4.06Å; Y304-F311 HydrophobicContact CE1-CG 4.44Å; Y304-F311 HydrophobicContact CE2-CD2 4.19Å; Y304-F311 HydrophobicContact CG-CB 4.48Å; Y304-F311 AromaticContact CG-CD2 3.42Å; Y304-F311 HydrophobicContact CG-CD2 3.42Å; Y304-F311 VanDerWaalsContact CG-CD2 3.42Å; Y304-F311 HydrophobicContact CG-CE2 4.04Å; Y304-F311 HydrophobicContact CG-CG 4.28Å; Y304-V315 HydrophobicContact CD2-CG2 4.17Å; Y304-V315 HydrophobicContact CE2-CG2 3.65Å
305K93.9Very high95.7Very high66 Ų6647.2 Ų47.229%0.28723%0.225SC..EExtended strand (participates in β ladder)trans-89.5106.5178.1-173.6172.8-174.8132.90110.4E57 G277 P278 V280E57-K305 WeakPolarHBondContact OE1-CE 3.35Å; E57-K305 IonicContact OE1-NZ 2.79Å; E57-K305 PolarHBondContact OE1-NZ 3.22Å; E57-K305 IonicContact OE2-NZ 2.9Å; G277-K305 WeakPolarHBondContact O-CA 3.34Å; P278-K305 WeakPolarHBondContact O-CE 3.32Å; V280-K305 HydrophobicContact CB-CB 4.17Å; V280-K305 HydrophobicContact CB-CG 4.38Å; V280-K305 HydrophobicContact CG1-CB 4.48Å; V280-K305 PolarHBondContact O-NZ 2.9Å
306G93.6Very high96Very high12 Ų1244.9 Ų44.912%0.12421%0.209CC..SBendtrans165.8173.617900000112.5G277 Y304G277-G306 CarbonylContact C-O 3.56Å; G277-G306 WeakPolarHBondContact CA-O 3.32Å; G277-G306 PolarHBondContact N-O 3.32Å; G277-G306 PolarHBondContact O-N 3.06Å; Y304-G306 PolarHBondContact O-N 2.96Å
307L95.3Very high96.1Very high33 Ų3343.1 Ų43.117%0.17320%0.203CC..  trans-70.7147.7173.7-60172.9000109.9V19 P278 H309 Q310 F311V19-L307 HydrophobicContact CB-CD2 4.36Å; V19-L307 HydrophobicContact CG2-CD2 4.18Å; P278-L307 HydrophobicContact CB-CD2 4.2Å; P278-L307 HydrophobicContact CG-CD2 4.07Å; L307-H309 VanDerWaalsContact C-N 3.33Å; L307-H309 VanDerWaalsContact CB-CE1 3.48Å; L307-H309 WeakPolarHBondContact CB-CE1 3.44Å; L307-H309 PolarHBondContact O-N 2.68Å; L307-Q310 HydrophobicContact CB-CB 4.43Å; L307-Q310 HydrophobicContact CB-CG 4.15Å; L307-Q310 WeakPolarHBondContact O-CB 3.28Å; L307-Q310 PolarHBondContact O-N 3.26Å; L307-Q310 VanDerWaalsContact O-N 3.14Å; L307-F311 PolarHBondContact O-N 2.58Å
308Y97.6Very high96.1Very high6 Ų643.8 Ų43.82%0.02421%0.205CC..Hα-helixtrans-64.4-36.6-172.9-179.1-113.2000113.5H241 V243 V276 F311 W312 L350 L351H241-Y308 HydrophobicContact CB-CE2 4.09Å; H241-Y308 AromaticContact ND1-CE2 3.54Å; H241-Y308 AromaticContact ND1-CZ 3.79Å; H241-Y308 PolarHBondContact ND1-OH 3.01Å; H241-Y308 VanDerWaalsContact ND1-OH 3.11Å; V243-Y308 HydrophobicContact CB-CD2 4.3Å; V243-Y308 HydrophobicContact CB-CG 4.21Å; V243-Y308 HydrophobicContact CG1-CD1 3.91Å; V243-Y308 HydrophobicContact CG1-CD2 3.32Å; V243-Y308 HydrophobicContact CG1-CE1 4.04Å; V243-Y308 HydrophobicContact CG1-CE2 3.46Å; V243-Y308 VanDerWaalsContact CG1-CE2 3.46Å; V243-Y308 HydrophobicContact CG1-CG 3.55Å; V276-Y308 HydrophobicContact CB-CD2 4.07Å; V276-Y308 HydrophobicContact CG1-CD2 4Å; V276-Y308 HydrophobicContact CG2-CD2 4.31Å; Y308-F311 HydrophobicContact CD2-CD1 4.02Å; Y308-F311 AromaticContact CE2-CD1 3.96Å; Y308-F311 HydrophobicContact CE2-CD1 3.96Å; Y308-F311 HydrophobicContact CE2-CE1 4.35Å; Y308-F311 PolarHBondContact O-N 2.88Å; Y308-W312 WeakPolarHBondContact O-CB 3.18Å; Y308-W312 PolarHBondContact O-N 3.34Å; Y308-L350 HydrophobicContact CE1-CD2 4.12Å; Y308-L351 HydrophobicContact CE1-CD2 3.75Å; Y308-L351 HydrophobicContact CE1-CG 4.41Å
309H97.1Very high96Very high27 Ų2739.5 Ų39.513%0.12520%0.199CC..Hα-helixtrans-67.9-35.2175.653.9-89.6000112.3L307 W312 E313 P346 S347 L350L307-H309 VanDerWaalsContact C-N 3.33Å; L307-H309 VanDerWaalsContact CB-CE1 3.48Å; L307-H309 WeakPolarHBondContact CB-CE1 3.44Å; L307-H309 PolarHBondContact O-N 2.68Å; H309-W312 WeakPolarHBondContact O-CB 3.42Å; H309-W312 PolarHBondContact O-N 3.45Å; H309-E313 WeakPolarHBondContact O-CG 3.45Å; H309-E313 PolarHBondContact O-N 2.81Å; H309-E313 VanDerWaalsContact O-N 3.08Å; H309-P346 HydrophobicContact CB-CB 4.21Å; H309-S347 PolarHBondContact N-OG 2.82Å; H309-S347 VanDerWaalsContact N-OG 3.17Å; H309-S347 PolarHBondContact ND1-OG 3.28Å; H309-L350 HydrophobicContact CB-CD1 4.08Å
310Q96.4Very high95.9Very high84 Ų8443 Ų4339%0.39322%0.215SC..Hα-helixtrans-67.2-45.9173.1-66.2173.6-2700111.1L307 W312 E313 D314L307-Q310 HydrophobicContact CB-CB 4.43Å; L307-Q310 HydrophobicContact CB-CG 4.15Å; L307-Q310 WeakPolarHBondContact O-CB 3.28Å; L307-Q310 PolarHBondContact O-N 3.26Å; L307-Q310 VanDerWaalsContact O-N 3.14Å; Q310-W312 PolarHBondContact O-N 3.34Å; Q310-E313 PolarHBondContact O-N 3.01Å; Q310-D314 VanDerWaalsContact O-CB 3.27Å; Q310-D314 WeakPolarHBondContact O-CB 3.37Å; Q310-D314 PolarHBondContact O-N 3.38Å
311F97.2Very high95.8Very high0 Ų041.3 Ų41.30%021%0.209CC..Hα-helixtrans-55.4-40.8173.5168.1-106000112H241 V274 V276 P289 Y304 L307 Y308 V315 V316 A321H241-F311 AromaticContact CE1-CE1 3.7Å; H241-F311 AromaticContact ND1-CE1 3.98Å; V274-F311 HydrophobicContact CG1-CE1 4.49Å; V274-F311 HydrophobicContact CG1-CZ 3.92Å; V276-F311 HydrophobicContact CB-CD1 4.5Å; V276-F311 HydrophobicContact CG1-CB 3.62Å; V276-F311 HydrophobicContact CG1-CD1 4.07Å; V276-F311 HydrophobicContact CG1-CG 3.81Å; V276-F311 HydrophobicContact CG2-CD1 3.7Å; V276-F311 HydrophobicContact CG2-CD2 4.37Å; V276-F311 HydrophobicContact CG2-CE1 3.82Å; V276-F311 HydrophobicContact CG2-CE2 4.48Å; V276-F311 HydrophobicContact CG2-CG 3.97Å; V276-F311 HydrophobicContact CG2-CZ 4.23Å; P289-F311 HydrophobicContact CG-CE2 3.99Å; P289-F311 HydrophobicContact CG-CZ 4.27Å; Y304-F311 HydrophobicContact CD1-CB 3.77Å; Y304-F311 AromaticContact CD1-CD2 3.6Å; Y304-F311 HydrophobicContact CD1-CD2 3.6Å; Y304-F311 HydrophobicContact CD1-CG 4.05Å; Y304-F311 AromaticContact CD2-CD2 3.75Å; Y304-F311 HydrophobicContact CD2-CD2 3.75Å; Y304-F311 HydrophobicContact CD2-CE2 4.19Å; Y304-F311 HydrophobicContact CE1-CB 3.83Å; Y304-F311 HydrophobicContact CE1-CD2 4.06Å; Y304-F311 HydrophobicContact CE1-CG 4.44Å; Y304-F311 HydrophobicContact CE2-CD2 4.19Å; Y304-F311 HydrophobicContact CG-CB 4.48Å; Y304-F311 AromaticContact CG-CD2 3.42Å; Y304-F311 HydrophobicContact CG-CD2 3.42Å; Y304-F311 VanDerWaalsContact CG-CD2 3.42Å; Y304-F311 HydrophobicContact CG-CE2 4.04Å; Y304-F311 HydrophobicContact CG-CG 4.28Å; L307-F311 PolarHBondContact O-N 2.58Å; Y308-F311 HydrophobicContact CD2-CD1 4.02Å; Y308-F311 AromaticContact CE2-CD1 3.96Å; Y308-F311 HydrophobicContact CE2-CD1 3.96Å; Y308-F311 HydrophobicContact CE2-CE1 4.35Å; Y308-F311 PolarHBondContact O-N 2.88Å; F311-V315 HydrophobicContact CD2-CB 3.85Å; F311-V315 HydrophobicContact CD2-CG1 4.42Å; F311-V315 HydrophobicContact CD2-CG2 3.71Å; F311-V315 HydrophobicContact CE2-CB 3.71Å; F311-V315 HydrophobicContact CE2-CG1 3.84Å; F311-V315 HydrophobicContact CE2-CG2 3.96Å; F311-V315 HydrophobicContact CZ-CB 4.48Å; F311-V315 WeakPolarHBondContact O-CA 3.32Å; F311-V315 VanDerWaalsContact O-CB 3.25Å; F311-V315 WeakPolarHBondContact O-CB 3.27Å; F311-V315 PolarHBondContact O-N 2.49Å; F311-V316 HydrophobicContact CD1-CG2 3.98Å; F311-V316 HydrophobicContact CE1-CG2 3.44Å; F311-V316 VanDerWaalsContact CE1-CG2 3.44Å; F311-V316 HydrophobicContact CZ-CG2 3.85Å; F311-V316 PolarHBondContact O-N 3.01Å; F311-A321 HydrophobicContact CE2-CB 4.25Å; F311-A321 HydrophobicContact CZ-CB 3.77Å
312W97.7Very high95.7Very high5 Ų542.2 Ų42.22%0.01922%0.217CC..Iπ-helixtrans-61.2-55.5177.2-177.1-86.8000112Y308 H309 Q310 D314 V316 E317 R323 P324 L350 Y354 I356Y308-W312 WeakPolarHBondContact O-CB 3.18Å; Y308-W312 PolarHBondContact O-N 3.34Å; H309-W312 WeakPolarHBondContact O-CB 3.42Å; H309-W312 PolarHBondContact O-N 3.45Å; Q310-W312 PolarHBondContact O-N 3.34Å; W312-D314 PolarHBondContact O-N 3.27Å; W312-V316 HydrophobicContact CD2-CB 4.1Å; W312-V316 HydrophobicContact CD2-CG1 4.08Å; W312-V316 HydrophobicContact CE3-CB 4.06Å; W312-V316 HydrophobicContact CE3-CG1 3.84Å; W312-V316 HydrophobicContact CE3-CG2 4.14Å; W312-V316 HydrophobicContact CG-CB 4.37Å; W312-V316 HydrophobicContact CH2-CG1 4.23Å; W312-V316 HydrophobicContact CZ2-CG1 4.44Å; W312-V316 HydrophobicContact CZ3-CG1 3.92Å; W312-V316 WeakPolarHBondContact O-CA 3.15Å; W312-V316 WeakPolarHBondContact O-CB 3.2Å; W312-V316 PolarHBondContact O-N 2.73Å; W312-E317 VanDerWaalsContact CD1-OE1 3.3Å; W312-E317 HydrophobicContact CG-CG 4.49Å; W312-E317 PolarHBondContact NE1-OE1 2.97Å; W312-E317 PolarHBondContact O-N 3.13Å; W312-R323 HydrophobicContact CH2-CG 3.98Å; W312-R323 HydrophobicContact CZ3-CG 4.45Å; W312-P324 HydrophobicContact CZ3-CG 4.37Å; W312-L350 HydrophobicContact CB-CD1 3.67Å; W312-L350 HydrophobicContact CD2-CD1 4.1Å; W312-L350 HydrophobicContact CD2-CD2 3.94Å; W312-L350 HydrophobicContact CD2-CG 4.46Å; W312-L350 HydrophobicContact CE3-CD2 4.01Å; W312-L350 HydrophobicContact CG-CD1 3.58Å; W312-L350 HydrophobicContact CG-CD2 4.31Å; W312-L350 HydrophobicContact CG-CG 4.4Å; W312-L350 HydrophobicContact CZ3-CD2 4.38Å; W312-Y354 HydrophobicContact CH2-CG 4.49Å; W312-Y354 AromaticContact CZ2-CD1 3.79Å; W312-Y354 HydrophobicContact CZ2-CD1 3.79Å; W312-Y354 HydrophobicContact CZ2-CD2 4.2Å; W312-Y354 AromaticContact CZ2-CE1 3.9Å; W312-Y354 HydrophobicContact CZ2-CE1 3.9Å; W312-Y354 HydrophobicContact CZ2-CE2 4.28Å; W312-Y354 AromaticContact CZ2-CG 3.94Å; W312-Y354 HydrophobicContact CZ2-CG 3.94Å; W312-Y354 AromaticContact NE1-CE2 3.84Å; W312-Y354 AromaticContact NE1-CZ 3.78Å; W312-I356 HydrophobicContact CE3-CD1 4.48Å; W312-I356 HydrophobicContact CH2-CD1 3.67Å; W312-I356 HydrophobicContact CZ3-CD1 3.62Å
313E96.6Very high95.7Very high110 Ų11049.5 Ų49.551%0.51424%0.244SC..Iπ-helixtrans-61.1-43.7179.2-69.2171.9-170.400111.9H309 Q310H309-E313 WeakPolarHBondContact O-CG 3.45Å; H309-E313 PolarHBondContact O-N 2.81Å; H309-E313 VanDerWaalsContact O-N 3.08Å; Q310-E313 PolarHBondContact O-N 3.01Å
314D95.7Very high95.8Very high73 Ų7350 Ų5039%0.3925%0.247SC..Iπ-helixtrans-81.5-26-171.5-83.1-36.6000114.6Q310 W312 K318Q310-D314 VanDerWaalsContact O-CB 3.27Å; Q310-D314 WeakPolarHBondContact O-CB 3.37Å; Q310-D314 PolarHBondContact O-N 3.38Å; W312-D314 PolarHBondContact O-N 3.27Å; D314-K318 WeakPolarHBondContact O-CD 3.25Å; D314-K318 WeakPolarHBondContact O-CE 3.47Å; D314-K318 PolarHBondContact O-NZ 3.12Å; D314-K318 IonicContact OD1-NZ 3.17Å; D314-K318 PolarHBondContact OD1-NZ 3.33Å
315V95.5Very high95.9Very high12 Ų1248.3 Ų48.37%0.07324%0.243CC..Iπ-helixtrans-127.8-51.1-169-165.90000111.6Y304 F311 G319 E320 A321Y304-V315 HydrophobicContact CD2-CG2 4.17Å; Y304-V315 HydrophobicContact CE2-CG2 3.65Å; F311-V315 HydrophobicContact CD2-CB 3.85Å; F311-V315 HydrophobicContact CD2-CG1 4.42Å; F311-V315 HydrophobicContact CD2-CG2 3.71Å; F311-V315 HydrophobicContact CE2-CB 3.71Å; F311-V315 HydrophobicContact CE2-CG1 3.84Å; F311-V315 HydrophobicContact CE2-CG2 3.96Å; F311-V315 HydrophobicContact CZ-CB 4.48Å; F311-V315 WeakPolarHBondContact O-CA 3.32Å; F311-V315 VanDerWaalsContact O-CB 3.25Å; F311-V315 WeakPolarHBondContact O-CB 3.27Å; F311-V315 PolarHBondContact O-N 2.49Å; V315-G319 PolarHBondContact O-N 3.47Å; V315-E320 HydrophobicContact CG1-CB 3.65Å; V315-E320 WeakPolarHBondContact O-CA 3.36Å; V315-E320 WeakPolarHBondContact O-CB 3.21Å; V315-E320 PolarHBondContact O-N 2.95Å; V315-A321 HydrophobicContact CB-CB 4.47Å; V315-A321 HydrophobicContact CG1-CB 3.63Å; V315-A321 PolarHBondContact O-N 3.31Å
316V96.3Very high96.1Very high8 Ų845.1 Ų45.15%0.04823%0.229CC..Iπ-helixtrans-71.3-48-175.5-178.20000111.3F311 W312 K318 G319 A321 R323F311-V316 HydrophobicContact CD1-CG2 3.98Å; F311-V316 HydrophobicContact CE1-CG2 3.44Å; F311-V316 VanDerWaalsContact CE1-CG2 3.44Å; F311-V316 HydrophobicContact CZ-CG2 3.85Å; F311-V316 PolarHBondContact O-N 3.01Å; W312-V316 HydrophobicContact CD2-CB 4.1Å; W312-V316 HydrophobicContact CD2-CG1 4.08Å; W312-V316 HydrophobicContact CE3-CB 4.06Å; W312-V316 HydrophobicContact CE3-CG1 3.84Å; W312-V316 HydrophobicContact CE3-CG2 4.14Å; W312-V316 HydrophobicContact CG-CB 4.37Å; W312-V316 HydrophobicContact CH2-CG1 4.23Å; W312-V316 HydrophobicContact CZ2-CG1 4.44Å; W312-V316 HydrophobicContact CZ3-CG1 3.92Å; W312-V316 WeakPolarHBondContact O-CA 3.15Å; W312-V316 WeakPolarHBondContact O-CB 3.2Å; W312-V316 PolarHBondContact O-N 2.73Å; V316-K318 PolarHBondContact O-N 3.35Å; V316-G319 PolarHBondContact O-N 2.86Å; V316-A321 HydrophobicContact CG2-CB 4.18Å; V316-R323 HydrophobicContact CG1-CB 4.47Å; V316-R323 HydrophobicContact CG1-CG 3.57Å
317E95.7Very high96.4Very high96 Ų9644.6 Ų44.645%0.44922%0.223SC..THydrogen-bonded Turntrans-65.8-28.9-179.9-70.2-171.6164.100112.7W312 G319 Y354W312-E317 VanDerWaalsContact CD1-OE1 3.3Å; W312-E317 HydrophobicContact CG-CG 4.49Å; W312-E317 PolarHBondContact NE1-OE1 2.97Å; W312-E317 PolarHBondContact O-N 3.13Å; E317-G319 PolarHBondContact O-N 3.42Å; E317-Y354 PolarHBondContact OE1-OH 3.08Å; E317-Y354 VanDerWaalsContact OE1-OH 3.05Å
318K95.7Very high96.5Very high123 Ų12343 Ų4354%0.53522%0.215SC..THydrogen-bonded Turntrans-80.1-1.3175.3-56.9-172.5-161.4145.50113.2D314 V316 E320D314-K318 WeakPolarHBondContact O-CD 3.25Å; D314-K318 WeakPolarHBondContact O-CE 3.47Å; D314-K318 PolarHBondContact O-NZ 3.12Å; D314-K318 IonicContact OD1-NZ 3.17Å; D314-K318 PolarHBondContact OD1-NZ 3.33Å; V316-K318 PolarHBondContact O-N 3.35Å; K318-E320 VanDerWaalsContact C-N 3.25Å; K318-E320 HydrophobicContact CB-CG 4.23Å; K318-E320 PolarHBondContact O-N 3.28Å
319G94.1Very high96.6Very high46 Ų4642.7 Ų42.747%0.47421%0.214SC..THydrogen-bonded Turntrans70.221.1-178.200000113.7V315 V316 E317V315-G319 PolarHBondContact O-N 3.47Å; V316-G319 PolarHBondContact O-N 2.86Å; E317-G319 PolarHBondContact O-N 3.42Å
320E94.3Very high96.6Very high88 Ų8841.9 Ų41.941%0.41121%0.21SC..SBendtrans-87.4-16.9176.8-63.9-170.6-171.700112.8R291 V315 K318R291-E320 WeakPolarHBondContact CG-O 3.06Å; V315-E320 HydrophobicContact CG1-CB 3.65Å; V315-E320 WeakPolarHBondContact O-CA 3.36Å; V315-E320 WeakPolarHBondContact O-CB 3.21Å; V315-E320 PolarHBondContact O-N 2.95Å; K318-E320 VanDerWaalsContact C-N 3.25Å; K318-E320 HydrophobicContact CB-CG 4.23Å; K318-E320 PolarHBondContact O-N 3.28Å
321A95.1Very high96.5Very high5 Ų539.4 Ų39.44%0.04120%0.198CC..SBendtrans-134.9149.3169.200000110.1P289 F311 V315 V316P289-A321 HydrophobicContact CB-CB 3.75Å; P289-A321 HydrophobicContact CG-CB 4.26Å; F311-A321 HydrophobicContact CE2-CB 4.25Å; F311-A321 HydrophobicContact CZ-CB 3.77Å; V315-A321 HydrophobicContact CB-CB 4.47Å; V315-A321 HydrophobicContact CG1-CB 3.63Å; V315-A321 PolarHBondContact O-N 3.31Å; V316-A321 HydrophobicContact CG2-CB 4.18Å
322A94.4Very high96.3Very high21 Ų2140 Ų4017%0.17420%0.202CC..PPolyproline II helixtrans-64.6150.4172.800000111.8T239 H241 L290T239-A322 HydrophobicContact CG2-CB 4.21Å; H241-A322 PolarHBondContact CE1-O 3.46Å; H241-A322 PolarHBondContact NE2-O 2.9Å; L290-A322 PolarHBondContact O-N 2.91Å; L290-A322 VanDerWaalsContact O-N 3.15Å
323R95.8Very high95.9Very high152 Ų15240.5 Ų40.557%0.57421%0.209SC*.PPolyproline II helixtrans-69.5144.5166.3-76.4-178.4167.3161.7-2109.5W312 V316W312-R323 HydrophobicContact CH2-CG 3.98Å; W312-R323 HydrophobicContact CZ3-CG 4.45Å; V316-R323 HydrophobicContact CG1-CB 4.47Å; V316-R323 HydrophobicContact CG1-CG 3.57Å
324P97.5Very high95.7Very high16 Ų1635.3 Ų35.310%0.10419%0.185CC..PPolyproline II helixtrans-74.4143.6179.630.5-31.8000111.4T239 H241 W312 V327 I356T239-P324 CarbonylContact O-C 3.54Å; T239-P324 WeakPolarHBondContact O-CA 3.34Å; H241-P324 HydrophobicContact CB-CB 4.04Å; H241-P324 VanDerWaalsContact CE1-CD 3.48Å; H241-P324 WeakPolarHBondContact CE1-CD 3.22Å; W312-P324 HydrophobicContact CZ3-CG 4.37Å; P324-V327 HydrophobicContact CB-CG2 4.09Å; P324-V327 HydrophobicContact CG-CG2 3.82Å; P324-I356 HydrophobicContact CG-CG2 3.99Å
325D98.1Very high95.3Very high31 Ų3133.5 Ų33.517%0.16617%0.174CC..SBendtrans-77.2-31162.4-64.6-76.3000111.1L231 K236 L238 T239 P357L231-D325 HydrophobicContact CD1-CB 3.93Å; L231-D325 HydrophobicContact CD2-CB 4.47Å; K236-D325 WeakPolarHBondContact CE-OD1 3.48Å; K236-D325 IonicContact NZ-OD1 2.87Å; K236-D325 PolarHBondContact NZ-OD1 3.17Å; L238-D325 VanDerWaalsContact CA-OD2 3.3Å; L238-D325 WeakPolarHBondContact CA-OD2 3.44Å; L238-D325 HydrophobicContact CD2-CB 4.29Å; T239-D325 PolarHBondContact N-OD2 3.15Å; T239-D325 PolarHBondContact O-N 3.31Å; D325-P357 WeakPolarHBondContact O-CG 3.38Å
326V98.8Very high94.6Very high0 Ų036.1 Ų36.10%020%0.197CC..EExtended strand (participates in β ladder)trans-150.9144.7173.7600000111A225 I226 F229 L231 V240 H241 V328 P357A225-V326 HydrophobicContact CB-CG2 4.25Å; I226-V326 HydrophobicContact CG1-CG1 4.47Å; F229-V326 HydrophobicContact CD2-CG2 3.76Å; F229-V326 HydrophobicContact CE2-CG2 3.99Å; L231-V326 HydrophobicContact CD1-CB 3.82Å; L231-V326 HydrophobicContact CD1-CG1 3.79Å; V240-V326 WeakPolarHBondContact CA-O 3.37Å; V240-V326 HydrophobicContact CB-CG1 4.4Å; V240-V326 HydrophobicContact CG1-CG1 4.15Å; V240-V326 HydrophobicContact CG2-CG1 3.84Å; H241-V326 PolarHBondContact N-O 3.01Å; H241-V326 VanDerWaalsContact N-O 3.08Å; V326-V328 HydrophobicContact CG2-CG2 4.45Å; V326-P357 WeakPolarHBondContact CA-O 3.32Å; V326-P357 HydrophobicContact CB-CB 4.32Å; V326-P357 HydrophobicContact CG2-CB 4.23Å
327V98.9Very high94Very high0 Ų038.1 Ų38.10%021%0.207CC..EExtended strand (participates in β ladder)trans-104.8132.8172.41650000109.1H241 V243 P324 L351 I356 P357 S358 F359 F360H241-V327 HydrophobicContact CB-CG2 4.01Å; H241-V327 CarbonylContact O-C 3.54Å; H241-V327 WeakPolarHBondContact O-CA 3.48Å; V243-V327 HydrophobicContact CB-CG1 4.17Å; V243-V327 HydrophobicContact CG1-CG1 3.61Å; V243-V327 HydrophobicContact CG2-CG1 3.44Å; V243-V327 VanDerWaalsContact CG2-CG1 3.44Å; P324-V327 HydrophobicContact CB-CG2 4.09Å; P324-V327 HydrophobicContact CG-CG2 3.82Å; V327-L351 HydrophobicContact CB-CD2 3.93Å; V327-L351 HydrophobicContact CG1-CD1 4.17Å; V327-L351 HydrophobicContact CG1-CD2 3.88Å; V327-L351 HydrophobicContact CG2-CD2 3.63Å; V327-I356 HydrophobicContact CB-CG2 4.26Å; V327-I356 HydrophobicContact CG2-CG2 3.65Å; V327-P357 PolarHBondContact N-O 3.23Å; V327-S358 CarbonylContact O-C 3.53Å; V327-S358 WeakPolarHBondContact O-CA 3.48Å; V327-F359 PolarHBondContact O-N 3.18Å; V327-F360 HydrophobicContact CG1-CE1 4.11Å
328V98.9Very high93.1Very high0 Ų039.8 Ų39.80%022%0.215CC..EExtended strand (participates in β ladder)trans-121.5133.2175.1-176.40000109.4V222 A225 V240 H241 I242 V243 V326 F330 F359V222-V328 HydrophobicContact CG2-CG1 4.31Å; V222-V328 HydrophobicContact CG2-CG2 4.28Å; A225-V328 HydrophobicContact CB-CG2 3.89Å; V240-V328 HydrophobicContact CG1-CG2 3.96Å; H241-V328 PolarHBondContact O-N 3.42Å; I242-V328 CarbonylContact C-O 3.55Å; I242-V328 VanDerWaalsContact CA-O 3.23Å; I242-V328 WeakPolarHBondContact CA-O 3.46Å; I242-V328 HydrophobicContact CD1-CB 3.8Å; I242-V328 HydrophobicContact CD1-CG1 4.4Å; I242-V328 HydrophobicContact CD1-CG2 4.44Å; V243-V328 PolarHBondContact N-O 3.06Å; V326-V328 HydrophobicContact CG2-CG2 4.45Å; V328-F330 HydrophobicContact CG1-CD1 4.49Å; V328-F330 HydrophobicContact CG1-CE1 3.99Å; V328-F330 HydrophobicContact CG1-CE2 4.2Å; V328-F330 HydrophobicContact CG1-CZ 3.83Å; V328-F359 CarbonylContact C-O 3.59Å; V328-F359 VanDerWaalsContact CA-O 3.24Å; V328-F359 WeakPolarHBondContact CA-O 3.33Å; V328-F359 HydrophobicContact CG2-CB 4.39Å
329G98.3Very high92.3Very high0 Ų034.1 Ų34.10%019%0.191CC..EExtended strand (participates in β ladder)trans-124.4114.7178.800000110.1F359 F360 T361G329-F359 PolarHBondContact N-O 3.12Å; G329-F360 VanDerWaalsContact CA-CD1 3.47Å; G329-F360 VanDerWaalsContact N-CD1 3.31Å; G329-F360 CarbonylContact O-C 3.49Å; G329-F360 VanDerWaalsContact O-CA 3.26Å; G329-F360 WeakPolarHBondContact O-CA 3.35Å; G329-T361 PolarHBondContact O-N 2.99Å
330F97.6Very high91.6Very high9 Ų932.5 Ų32.54%0.03917%0.171CC..EExtended strand (participates in β ladder)trans-88.2116.5177.1-64.2-62.9000109.6R218 T221 V222 I242 E249 V328 T361 N410R218-F330 HydrophobicContact CB-CE1 4.35Å; R218-F330 HydrophobicContact CB-CE2 4.45Å; R218-F330 HydrophobicContact CB-CZ 4.05Å; R218-F330 WeakPolarHBondContact O-CZ 3.24Å; T221-F330 HydrophobicContact CG2-CE1 3.94Å; V222-F330 HydrophobicContact CG2-CZ 3.94Å; I242-F330 HydrophobicContact CD1-CE2 4.13Å; I242-F330 HydrophobicContact CG2-CD2 3.74Å; I242-F330 HydrophobicContact CG2-CE2 3.88Å; E249-F330 HydrophobicContact CG-CD2 4.29Å; V328-F330 HydrophobicContact CG1-CD1 4.49Å; V328-F330 HydrophobicContact CG1-CE1 3.99Å; V328-F330 HydrophobicContact CG1-CE2 4.2Å; V328-F330 HydrophobicContact CG1-CZ 3.83Å; F330-T361 WeakPolarHBondContact CA-OG1 3.03Å; F330-T361 HydrophobicContact CD1-CG2 4.35Å; F330-N410 WeakPolarHBondContact CD1-OD1 3.26Å
331H95.4Very high91.1Very high33 Ų3330.4 Ų30.415%0.15317%0.165CC..SBendtrans47.152.8175.3-54.4-73.6000113.6G333 T361 M362 F363 N410H331-G333 PolarHBondContact O-N 2.78Å; H331-T361 VanDerWaalsContact CA-O 3.25Å; H331-T361 WeakPolarHBondContact CA-O 3.35Å; H331-T361 PolarHBondContact N-O 3.37Å; H331-T361 PolarHBondContact N-OG1 3.24Å; H331-M362 PolarHBondContact CE1-O 2.7Å; H331-M362 VanDerWaalsContact ND1-C 3.34Å; H331-F363 HydrophobicContact CB-CD2 4.06Å; H331-F363 HydrophobicContact CB-CE2 3.48Å; H331-F363 VanDerWaalsContact CB-CE2 3.48Å; H331-F363 HydrophobicContact CB-CZ 3.92Å; H331-F363 AromaticContact CD2-CE1 3.89Å; H331-F363 AromaticContact CD2-CZ 3.63Å; H331-F363 AromaticContact CE1-CD1 3.36Å; H331-F363 WeakPolarHBondContact CE1-CD1 3.46Å; H331-F363 AromaticContact CE1-CD2 3.86Å; H331-F363 AromaticContact CE1-CE1 3.52Å; H331-F363 AromaticContact CE1-CG 3.53Å; H331-F363 AromaticContact CE1-CZ 3.83Å; H331-F363 PolarHBondContact CE1-N 3.43Å; H331-F363 AromaticContact CG-CD2 3.75Å; H331-F363 AromaticContact CG-CE1 3.94Å; H331-F363 AromaticContact CG-CE2 3.34Å; H331-F363 AromaticContact CG-CZ 3.44Å; H331-F363 VanDerWaalsContact CG-CZ 3.44Å; H331-F363 AromaticContact ND1-CD1 3.63Å; H331-F363 AromaticContact ND1-CD2 3.22Å; H331-F363 WeakPolarHBondContact ND1-CD2 3.2Å; H331-F363 AromaticContact ND1-CE1 3.74Å; H331-F363 AromaticContact ND1-CE2 3.35Å; H331-F363 VanDerWaalsContact ND1-CE2 3.35Å; H331-F363 WeakPolarHBondContact ND1-CE2 3.47Å; H331-F363 AromaticContact ND1-CG 3.36Å; H331-F363 WeakPolarHBondContact ND1-CG 3.46Å; H331-F363 AromaticContact ND1-CZ 3.59Å; H331-F363 PolarHBondContact ND1-N 2.9Å; H331-F363 AromaticContact NE2-CD1 3.92Å; H331-F363 AromaticContact NE2-CE1 3.62Å; H331-F363 AromaticContact NE2-CZ 3.88Å; H331-N410 PolarHBondContact CE1-N 3.03Å; H331-N410 PolarHBondContact NE2-N 3.18Å; H331-N410 PolarHBondContact NE2-OD1 3.17Å
332P92.4Very high90.6Very high11 Ų1134.4 Ų34.47%0.07118%0.182CC..  trans-63.3-16.7-167.228.3-37.4000113.4F334 W344 F360 T361 M362P332-F334 HydrophobicContact CB-CD1 3.78Å; P332-F334 HydrophobicContact CB-CE1 4.01Å; P332-F334 HydrophobicContact CG-CD1 3.67Å; P332-F334 HydrophobicContact CG-CE1 3.42Å; P332-F334 VanDerWaalsContact CG-CE1 3.42Å; P332-F334 HydrophobicContact CG-CZ 4.47Å; P332-F334 PolarHBondContact O-N 2.99Å; P332-W344 HydrophobicContact CB-CH2 3.63Å; P332-W344 HydrophobicContact CB-CZ2 3.35Å; P332-W344 HydrophobicContact CB-CZ3 4.31Å; P332-W344 PolarHBondContact O-NE1 3.3Å; P332-F360 HydrophobicContact CG-CB 4.37Å; P332-F360 HydrophobicContact CG-CD2 3.91Å; P332-F360 HydrophobicContact CG-CE2 4.4Å; P332-F360 HydrophobicContact CG-CG 4.2Å; P332-T361 WeakPolarHBondContact CD-O 3.33Å; P332-M362 HydrophobicContact CG-CE 3.79Å
333G89.7Confident90.2Very high17 Ų1734 Ų3418%0.17518%0.18CC..  trans68.96.4166.600000115.1H331 H335 A336H331-G333 PolarHBondContact O-N 2.78Å; G333-H335 PolarHBondContact O-N 3.16Å; G333-H335 VanDerWaalsContact O-N 3.09Å; G333-A336 WeakPolarHBondContact O-CB 3.46Å; G333-A336 PolarHBondContact O-N 3.21Å
334F90.8Very high90.2Very high0 Ų028.2 Ų28.20%016%0.159CC..THydrogen-bonded Turntrans-58.6-25.7179.954.9-105.1000112.6P332 A336 V341 W344 L348 F360 M362 S371 I374 L375P332-F334 HydrophobicContact CB-CD1 3.78Å; P332-F334 HydrophobicContact CB-CE1 4.01Å; P332-F334 HydrophobicContact CG-CD1 3.67Å; P332-F334 HydrophobicContact CG-CE1 3.42Å; P332-F334 VanDerWaalsContact CG-CE1 3.42Å; P332-F334 HydrophobicContact CG-CZ 4.47Å; P332-F334 PolarHBondContact O-N 2.99Å; F334-A336 VanDerWaalsContact C-N 3.27Å; F334-A336 PolarHBondContact O-N 2.91Å; F334-V341 WeakPolarHBondContact O-CG2 2.87Å; F334-V341 PolarHBondContact O-N 2.97Å; F334-W344 HydrophobicContact CB-CB 3.78Å; F334-W344 HydrophobicContact CB-CD2 4.48Å; F334-W344 HydrophobicContact CB-CG 3.71Å; F334-W344 HydrophobicContact CD1-CD2 4.35Å; F334-W344 HydrophobicContact CD1-CG 4.38Å; F334-L348 HydrophobicContact CE1-CD2 4.41Å; F334-L348 HydrophobicContact CG-CD1 4.46Å; F334-F360 AromaticContact CE1-CD2 3.69Å; F334-F360 HydrophobicContact CE1-CD2 3.69Å; F334-F360 AromaticContact CE1-CE2 3.81Å; F334-F360 HydrophobicContact CE1-CE2 3.81Å; F334-F360 HydrophobicContact CZ-CD2 4.27Å; F334-M362 HydrophobicContact CE1-CE 4.41Å; F334-M362 HydrophobicContact CZ-CE 4.26Å; F334-S371 VanDerWaalsContact CE2-OG 3.23Å; F334-S371 WeakPolarHBondContact CE2-OG 3.22Å; F334-S371 WeakPolarHBondContact CZ-OG 3.49Å; F334-I374 HydrophobicContact CD2-CB 4.45Å; F334-I374 HydrophobicContact CD2-CD1 3.92Å; F334-I374 HydrophobicContact CD2-CG2 4.16Å; F334-I374 HydrophobicContact CE2-CB 4.25Å; F334-I374 HydrophobicContact CE2-CD1 4.31Å; F334-I374 HydrophobicContact CE2-CG2 4.23Å; F334-L375 HydrophobicContact CZ-CD1 4.44Å; F334-L375 HydrophobicContact CZ-CD2 4.28Å; F334-L375 HydrophobicContact CZ-CG 4.25Å
335H87.2Confident90.1Very high36 Ų3630.5 Ų30.517%0.16717%0.17CC..THydrogen-bonded Turntrans-74.4-11.8175.563-98.8000114.2G333 E367 S371 I374G333-H335 PolarHBondContact O-N 3.16Å; G333-H335 VanDerWaalsContact O-N 3.09Å; H335-E367 IonicContact CE1-OE2 3.41Å; H335-E367 VanDerWaalsContact NE2-CG 3.32Å; H335-E367 WeakPolarHBondContact NE2-CG 3.47Å; H335-S371 PolarHBondContact ND1-OG 3.5Å; H335-I374 HydrophobicContact CB-CD1 3.84Å
336A81.9Confident90Very high66 Ų6631.8 Ų31.855%0.54518%0.18SC..SBendtrans-76.7-34.3-166.200000113.6G333 F334 L340G333-A336 WeakPolarHBondContact O-CB 3.46Å; G333-A336 PolarHBondContact O-N 3.21Å; F334-A336 VanDerWaalsContact C-N 3.27Å; F334-A336 PolarHBondContact O-N 2.91Å; A336-L340 HydrophobicContact CB-CD1 4.13Å
337N82.6Confident90Very high50 Ų5032 Ų3227%0.26718%0.181SC..  trans-160.3165.1173.768.969.9000112S24 G339 L340 V341S24-N337 PolarHBondContact OG-ND2 3.47Å; S24-N337 VanDerWaalsContact OG-ND2 3.16Å; N337-G339 VanDerWaalsContact C-N 3.33Å; N337-G339 PolarHBondContact O-N 2.82Å; N337-G339 WeakPolarHBondContact OD1-CA 3.15Å; N337-G339 PolarHBondContact OD1-N 3.31Å; N337-L340 WeakPolarHBondContact ND2-CD1 3.43Å; N337-L340 PolarHBondContact O-N 3.21Å; N337-L340 PolarHBondContact OD1-N 3.46Å; N337-V341 WeakPolarHBondContact O-CG2 3.44Å; N337-V341 PolarHBondContact O-N 2.96Å
338Q78.1Confident89.9Confident132 Ų13232 Ų3262%0.61718%0.181SC*.Hα-helixtrans-59.3-37.6-176-171.6175.310.800113.9V341 Q342Q338-V341 PolarHBondContact O-N 3.5Å; Q338-Q342 WeakPolarHBondContact O-CG 3.36Å; Q338-Q342 PolarHBondContact O-N 3.5Å
339G77.9Confident89.9Confident3 Ų334.4 Ų34.43%0.03119%0.194CC..Hα-helixtrans-68.8-38.2179.800000112.8T16 S18 N337 Q342 G343T16-G339 WeakPolarHBondContact O-CA 3.37Å; S18-G339 CarbonylContact O-C 3.53Å; N337-G339 VanDerWaalsContact C-N 3.33Å; N337-G339 PolarHBondContact O-N 2.82Å; N337-G339 WeakPolarHBondContact OD1-CA 3.15Å; N337-G339 PolarHBondContact OD1-N 3.31Å; G339-Q342 PolarHBondContact O-N 3.45Å; G339-G343 PolarHBondContact O-N 3.48Å
340L79.3Confident89.9Confident12 Ų1235.3 Ų35.36%0.06320%0.198CC..Hα-helixtrans-66.5-41.2172.3-68.3176000111.8A336 N337 Q342 G343 W344A336-L340 HydrophobicContact CB-CD1 4.13Å; N337-L340 WeakPolarHBondContact ND2-CD1 3.43Å; N337-L340 PolarHBondContact O-N 3.21Å; N337-L340 PolarHBondContact OD1-N 3.46Å; L340-Q342 VanDerWaalsContact C-N 3.31Å; L340-Q342 PolarHBondContact O-N 3.26Å; L340-G343 PolarHBondContact O-N 3.26Å; L340-W344 WeakPolarHBondContact O-CB 3.48Å; L340-W344 VanDerWaalsContact O-CD1 3.26Å; L340-W344 PolarHBondContact O-N 2.98Å
341V85.1Confident89.9Confident45 Ų4534.9 Ų34.927%0.27320%0.197SC..Hα-helixtrans-55.3-50.1172.1-179.70000110.1F334 N337 Q338 G343 W344 L345 I374F334-V341 WeakPolarHBondContact O-CG2 2.87Å; F334-V341 PolarHBondContact O-N 2.97Å; N337-V341 WeakPolarHBondContact O-CG2 3.44Å; N337-V341 PolarHBondContact O-N 2.96Å; Q338-V341 PolarHBondContact O-N 3.5Å; V341-G343 PolarHBondContact O-N 3.48Å; V341-W344 PolarHBondContact O-N 3.15Å; V341-L345 WeakPolarHBondContact O-CB 3.31Å; V341-L345 PolarHBondContact O-N 2.89Å; V341-I374 HydrophobicContact CG2-CD1 4.27Å
342Q84.1Confident90.1Very high88 Ų8835 Ų3541%0.41120%0.196SC..Hα-helixtrans-63.4-39.8-177.5-74.2177.8-7.100112.4T16 Q338 G339 L340 W344 L345 P346T16-Q342 PolarHBondContact O-OE1 3.42Å; Q338-Q342 WeakPolarHBondContact O-CG 3.36Å; Q338-Q342 PolarHBondContact O-N 3.5Å; G339-Q342 PolarHBondContact O-N 3.45Å; L340-Q342 VanDerWaalsContact C-N 3.31Å; L340-Q342 PolarHBondContact O-N 3.26Å; Q342-W344 VanDerWaalsContact C-N 3.33Å; Q342-W344 PolarHBondContact O-N 3.04Å; Q342-L345 PolarHBondContact O-N 3.36Å; Q342-P346 WeakPolarHBondContact O-CD 3.29Å
343G86.9Confident90.3Very high13 Ų1339 Ų3913%0.13422%0.217CC..Hα-helixtrans-64.8-35.2174.800000113.8G339 L340 V341G339-G343 PolarHBondContact O-N 3.48Å; L340-G343 PolarHBondContact O-N 3.26Å; V341-G343 PolarHBondContact O-N 3.48Å
344W94.1Very high90.7Very high30 Ų3043.3 Ų43.311%0.11423%0.228CC..Hα-helixtrans-82.2-26.1178.9-87.796.6000113.9V243 P332 F334 L340 V341 Q342 S347 L348 F360V243-W344 HydrophobicContact CB-CH2 4.34Å; V243-W344 HydrophobicContact CB-CZ3 4.5Å; V243-W344 HydrophobicContact CG2-CH2 3.96Å; V243-W344 HydrophobicContact CG2-CZ3 4.01Å; P332-W344 HydrophobicContact CB-CH2 3.63Å; P332-W344 HydrophobicContact CB-CZ2 3.35Å; P332-W344 HydrophobicContact CB-CZ3 4.31Å; P332-W344 PolarHBondContact O-NE1 3.3Å; F334-W344 HydrophobicContact CB-CB 3.78Å; F334-W344 HydrophobicContact CB-CD2 4.48Å; F334-W344 HydrophobicContact CB-CG 3.71Å; F334-W344 HydrophobicContact CD1-CD2 4.35Å; F334-W344 HydrophobicContact CD1-CG 4.38Å; L340-W344 WeakPolarHBondContact O-CB 3.48Å; L340-W344 VanDerWaalsContact O-CD1 3.26Å; L340-W344 PolarHBondContact O-N 2.98Å; V341-W344 PolarHBondContact O-N 3.15Å; Q342-W344 VanDerWaalsContact C-N 3.33Å; Q342-W344 PolarHBondContact O-N 3.04Å; W344-S347 CarbonylContact O-C 3.59Å; W344-S347 WeakPolarHBondContact O-CA 3.39Å; W344-S347 WeakPolarHBondContact O-CB 3.37Å; W344-S347 PolarHBondContact O-N 3.4Å; W344-L348 HydrophobicContact CB-CD1 4.26Å; W344-L348 HydrophobicContact CB-CG 4.39Å; W344-L348 HydrophobicContact CE3-CD2 4.43Å; W344-L348 PolarHBondContact O-N 2.85Å; W344-F360 HydrophobicContact CZ3-CZ 4.2Å
345L95.6Very high91Very high64 Ų6447.6 Ų47.634%0.33525%0.251SS..Hα-helixtrans-50.8-49-172.1178.664.3000113.5V341 Q342 S347 L348 L349 L378V341-L345 WeakPolarHBondContact O-CB 3.31Å; V341-L345 PolarHBondContact O-N 2.89Å; Q342-L345 PolarHBondContact O-N 3.36Å; L345-S347 VanDerWaalsContact C-N 3.29Å; L345-S347 PolarHBondContact O-N 2.69Å; L345-L348 PolarHBondContact O-N 2.98Å; L345-L349 HydrophobicContact CD1-CD1 3.99Å; L345-L349 HydrophobicContact CD1-CD2 4.45Å; L345-L349 HydrophobicContact CD1-CG 3.99Å; L345-L349 HydrophobicContact CG-CD1 4.05Å; L345-L349 HydrophobicContact CG-CG 4.43Å; L345-L349 WeakPolarHBondContact O-CG 3.2Å; L345-L349 PolarHBondContact O-N 3.41Å; L345-L378 HydrophobicContact CD1-CD1 4.13Å; L345-L378 HydrophobicContact CD1-CD2 3.5Å; L345-L378 VanDerWaalsContact CD1-CD2 3.5Å; L345-L378 HydrophobicContact CD1-CG 4.48Å
346P97.1Very high91.6Very high58 Ų5846.4 Ų46.438%0.37725%0.246SC..Hα-helixtrans-62.3-37.4178.6-20.332.3000112.6H309 Q342 L350H309-P346 HydrophobicContact CB-CB 4.21Å; Q342-P346 WeakPolarHBondContact O-CD 3.29Å; P346-L350 VanDerWaalsContact O-CB 3.28Å; P346-L350 WeakPolarHBondContact O-CB 3.49Å; P346-L350 PolarHBondContact O-N 2.59Å
347S97.7Very high92.4Very high4 Ų444.2 Ų44.23%0.02823%0.226CC..Hα-helixtrans-70.4-38.4177.7-68.70000112.4H309 W344 L345 L350 L351H309-S347 PolarHBondContact N-OG 2.82Å; H309-S347 VanDerWaalsContact N-OG 3.17Å; H309-S347 PolarHBondContact ND1-OG 3.28Å; W344-S347 CarbonylContact O-C 3.59Å; W344-S347 WeakPolarHBondContact O-CA 3.39Å; W344-S347 WeakPolarHBondContact O-CB 3.37Å; W344-S347 PolarHBondContact O-N 3.4Å; L345-S347 VanDerWaalsContact C-N 3.29Å; L345-S347 PolarHBondContact O-N 2.69Å; S347-L350 PolarHBondContact O-N 3.16Å; S347-L351 VanDerWaalsContact O-CG 3.27Å; S347-L351 WeakPolarHBondContact O-CG 3.19Å; S347-L351 PolarHBondContact O-N 2.78Å; S347-L351 VanDerWaalsContact O-N 3.07Å
348L98.3Very high93.2Very high1 Ų141.9 Ų41.91%0.00521%0.214CC..Hα-helixtrans-63.6-51.3174.1-66.4175.1000110.4F334 W344 L345 L350 L351 R352 F360 L375 L378 M380F334-L348 HydrophobicContact CE1-CD2 4.41Å; F334-L348 HydrophobicContact CG-CD1 4.46Å; W344-L348 HydrophobicContact CB-CD1 4.26Å; W344-L348 HydrophobicContact CB-CG 4.39Å; W344-L348 HydrophobicContact CE3-CD2 4.43Å; W344-L348 PolarHBondContact O-N 2.85Å; L345-L348 PolarHBondContact O-N 2.98Å; L348-L350 VanDerWaalsContact C-N 3.27Å; L348-L350 PolarHBondContact O-N 3.43Å; L348-L351 WeakPolarHBondContact O-CB 3.4Å; L348-L351 PolarHBondContact O-N 3.29Å; L348-R352 PolarHBondContact O-N 2.82Å; L348-F360 HydrophobicContact CD2-CE2 3.76Å; L348-F360 HydrophobicContact CD2-CZ 4.33Å; L348-L375 HydrophobicContact CD2-CD2 4.13Å; L348-L378 HydrophobicContact CB-CD1 3.94Å; L348-L378 HydrophobicContact CD1-CD1 3.67Å; L348-L378 HydrophobicContact CG-CD1 4.44Å; L348-M380 HydrophobicContact CB-CE 4.03Å; L348-M380 WeakPolarHBondContact O-CE 3.35Å
349L98Very high94.1Very high51 Ų5135.6 Ų35.627%0.26718%0.184SC..Hα-helixtrans-57.2-41.2178.1-66.5175.6000111.9L345 L351 R352 D353 L378L345-L349 HydrophobicContact CD1-CD1 3.99Å; L345-L349 HydrophobicContact CD1-CD2 4.45Å; L345-L349 HydrophobicContact CD1-CG 3.99Å; L345-L349 HydrophobicContact CG-CD1 4.05Å; L345-L349 HydrophobicContact CG-CG 4.43Å; L345-L349 WeakPolarHBondContact O-CG 3.2Å; L345-L349 PolarHBondContact O-N 3.41Å; L349-L351 PolarHBondContact O-N 2.82Å; L349-R352 WeakPolarHBondContact O-CB 3.43Å; L349-R352 PolarHBondContact O-N 3.12Å; L349-D353 WeakPolarHBondContact O-CB 3.35Å; L349-D353 PolarHBondContact O-N 2.78Å; L349-L378 HydrophobicContact CD2-CD2 4.29Å
350L98.4Very high95.1Very high18 Ų1835.4 Ų35.49%0.09418%0.183CC..Hα-helixtrans-57.6-49.8173.5-174.6163.2000112.1Y308 H309 W312 P346 S347 L348 R352 D353 Y354 I356Y308-L350 HydrophobicContact CE1-CD2 4.12Å; H309-L350 HydrophobicContact CB-CD1 4.08Å; W312-L350 HydrophobicContact CB-CD1 3.67Å; W312-L350 HydrophobicContact CD2-CD1 4.1Å; W312-L350 HydrophobicContact CD2-CD2 3.94Å; W312-L350 HydrophobicContact CD2-CG 4.46Å; W312-L350 HydrophobicContact CE3-CD2 4.01Å; W312-L350 HydrophobicContact CG-CD1 3.58Å; W312-L350 HydrophobicContact CG-CD2 4.31Å; W312-L350 HydrophobicContact CG-CG 4.4Å; W312-L350 HydrophobicContact CZ3-CD2 4.38Å; P346-L350 VanDerWaalsContact O-CB 3.28Å; P346-L350 WeakPolarHBondContact O-CB 3.49Å; P346-L350 PolarHBondContact O-N 2.59Å; S347-L350 PolarHBondContact O-N 3.16Å; L348-L350 VanDerWaalsContact C-N 3.27Å; L348-L350 PolarHBondContact O-N 3.43Å; L350-R352 VanDerWaalsContact C-N 3.26Å; L350-R352 PolarHBondContact O-N 3.17Å; L350-D353 PolarHBondContact O-N 3.35Å; L350-Y354 HydrophobicContact CD2-CD2 4.12Å; L350-Y354 HydrophobicContact CG-CD2 3.92Å; L350-Y354 HydrophobicContact CG-CE2 4.23Å; L350-Y354 WeakPolarHBondContact O-CB 3.49Å; L350-Y354 WeakPolarHBondContact O-CD2 3.39Å; L350-Y354 PolarHBondContact O-N 2.99Å; L350-I356 HydrophobicContact CD2-CD1 3.86Å
351L98.5Very high96.1Very high1 Ų134.9 Ų34.91%0.00518%0.18CC..Hα-helixtrans-58.3-40.1178.6-66.9172.5000111.9Y308 V327 S347 L348 L349 N355 I356 F360 F416Y308-L351 HydrophobicContact CE1-CD2 3.75Å; Y308-L351 HydrophobicContact CE1-CG 4.41Å; V327-L351 HydrophobicContact CB-CD2 3.93Å; V327-L351 HydrophobicContact CG1-CD1 4.17Å; V327-L351 HydrophobicContact CG1-CD2 3.88Å; V327-L351 HydrophobicContact CG2-CD2 3.63Å; S347-L351 VanDerWaalsContact O-CG 3.27Å; S347-L351 WeakPolarHBondContact O-CG 3.19Å; S347-L351 PolarHBondContact O-N 2.78Å; S347-L351 VanDerWaalsContact O-N 3.07Å; L348-L351 WeakPolarHBondContact O-CB 3.4Å; L348-L351 PolarHBondContact O-N 3.29Å; L349-L351 PolarHBondContact O-N 2.82Å; L351-N355 PolarHBondContact O-N 3.46Å; L351-I356 HydrophobicContact CD2-CB 4.04Å; L351-I356 HydrophobicContact CD2-CD1 4.12Å; L351-I356 HydrophobicContact CD2-CG2 4.05Å; L351-I356 PolarHBondContact O-N 3.26Å; L351-F360 HydrophobicContact CD1-CE1 4.43Å; L351-F360 HydrophobicContact CD1-CZ 3.79Å; L351-F416 HydrophobicContact CD1-CZ 4.4Å
352R98.1Very high96.7Very high36 Ų3632.7 Ų32.714%0.13617%0.167CC..Hα-helixtrans-65.6-55.4176.9-166.2-174.264.8172.32.3112.2L348 L349 L350 Y354 N355 L378 E379 M380 G418 L419L348-R352 PolarHBondContact O-N 2.82Å; L349-R352 WeakPolarHBondContact O-CB 3.43Å; L349-R352 PolarHBondContact O-N 3.12Å; L350-R352 VanDerWaalsContact C-N 3.26Å; L350-R352 PolarHBondContact O-N 3.17Å; R352-Y354 VanDerWaalsContact C-N 3.34Å; R352-Y354 PolarHBondContact O-N 2.98Å; R352-N355 WeakPolarHBondContact O-CA 3.05Å; R352-N355 PolarHBondContact O-N 3.2Å; R352-L378 WeakPolarHBondContact CD-O 3.46Å; R352-L378 PolarHBondContact NH1-O 2.8Å; R352-E379 IonicContact NH1-OE2 2.82Å; R352-M380 HydrophobicContact CB-CE 3.5Å; R352-M380 HydrophobicContact CB-SD 3.54Å; R352-M380 VanDerWaalsContact CB-SD 3.54Å; R352-M380 HydrophobicContact CG-CE 4.02Å; R352-M380 HydrophobicContact CG-SD 3.64Å; R352-G418 WeakPolarHBondContact O-CA 3.26Å; R352-L419 HydrophobicContact CG-CD2 4.06Å; R352-L419 HydrophobicContact CG-CG 4.1Å
353D97.6Very high97.2Very high94 Ų9431.3 Ų31.350%0.50316%0.159SC..Hα-helixtrans-72.5-32.2-167.4-64.4-9.5000111L349 L350 N355L349-D353 WeakPolarHBondContact O-CB 3.35Å; L349-D353 PolarHBondContact O-N 2.78Å; L350-D353 PolarHBondContact O-N 3.35Å; D353-N355 VanDerWaalsContact C-N 3.27Å
354Y97.7Very high97.5Very high107 Ų10732 Ų3242%0.4216%0.162SC..THydrogen-bonded Turntrans-84.33.5170.4-76.7-84.4000113.9W312 E317 L350 R352 I356W312-Y354 HydrophobicContact CH2-CG 4.49Å; W312-Y354 AromaticContact CZ2-CD1 3.79Å; W312-Y354 HydrophobicContact CZ2-CD1 3.79Å; W312-Y354 HydrophobicContact CZ2-CD2 4.2Å; W312-Y354 AromaticContact CZ2-CE1 3.9Å; W312-Y354 HydrophobicContact CZ2-CE1 3.9Å; W312-Y354 HydrophobicContact CZ2-CE2 4.28Å; W312-Y354 AromaticContact CZ2-CG 3.94Å; W312-Y354 HydrophobicContact CZ2-CG 3.94Å; W312-Y354 AromaticContact NE1-CE2 3.84Å; W312-Y354 AromaticContact NE1-CZ 3.78Å; E317-Y354 PolarHBondContact OE1-OH 3.08Å; E317-Y354 VanDerWaalsContact OE1-OH 3.05Å; L350-Y354 HydrophobicContact CD2-CD2 4.12Å; L350-Y354 HydrophobicContact CG-CD2 3.92Å; L350-Y354 HydrophobicContact CG-CE2 4.23Å; L350-Y354 WeakPolarHBondContact O-CB 3.49Å; L350-Y354 WeakPolarHBondContact O-CD2 3.39Å; L350-Y354 PolarHBondContact O-N 2.99Å; R352-Y354 VanDerWaalsContact C-N 3.34Å; R352-Y354 PolarHBondContact O-N 2.98Å; Y354-I356 VanDerWaalsContact C-N 3.3Å; Y354-I356 PolarHBondContact O-N 2.9Å
355N98Very high97.6Very high91 Ų9134.4 Ų34.449%0.48718%0.177SC..THydrogen-bonded Turntrans54.941.7177.6-167.636.7000113.7L351 R352 D353 Q417 G418L351-N355 PolarHBondContact O-N 3.46Å; R352-N355 WeakPolarHBondContact O-CA 3.05Å; R352-N355 PolarHBondContact O-N 3.2Å; D353-N355 VanDerWaalsContact C-N 3.27Å; N355-Q417 PolarHBondContact O-NE2 3.46Å; N355-Q417 WeakPolarHBondContact OD1-CG 3.5Å; N355-G418 WeakPolarHBondContact OD1-CA 3.47Å; N355-G418 PolarHBondContact OD1-N 3.4Å
356I98.4Very high97.5Very high10 Ų1036.9 Ų36.95%0.05119%0.188CC..  trans-84.4123.8-173.6-57.4176.5000110.1W312 P324 V327 L350 L351 Y354 S358W312-I356 HydrophobicContact CE3-CD1 4.48Å; W312-I356 HydrophobicContact CH2-CD1 3.67Å; W312-I356 HydrophobicContact CZ3-CD1 3.62Å; P324-I356 HydrophobicContact CG-CG2 3.99Å; V327-I356 HydrophobicContact CB-CG2 4.26Å; V327-I356 HydrophobicContact CG2-CG2 3.65Å; L350-I356 HydrophobicContact CD2-CD1 3.86Å; L351-I356 HydrophobicContact CD2-CB 4.04Å; L351-I356 HydrophobicContact CD2-CD1 4.12Å; L351-I356 HydrophobicContact CD2-CG2 4.05Å; L351-I356 PolarHBondContact O-N 3.26Å; Y354-I356 VanDerWaalsContact C-N 3.3Å; Y354-I356 PolarHBondContact O-N 2.9Å; I356-S358 PolarHBondContact O-N 2.92Å; I356-S358 PolarHBondContact O-OG 2.96Å
357P98.7Very high97.5Very high21 Ų2136 Ų3614%0.13618%0.179CC..  trans-52.2121.7171.3-28.637.2000111.9F229 D325 V326 V327 Q417F229-P357 HydrophobicContact CB-CB 4.42Å; F229-P357 HydrophobicContact CD1-CB 3.58Å; F229-P357 HydrophobicContact CD1-CG 4.32Å; F229-P357 HydrophobicContact CD2-CB 3.95Å; F229-P357 HydrophobicContact CE1-CB 3.69Å; F229-P357 HydrophobicContact CE2-CB 4.04Å; F229-P357 HydrophobicContact CG-CB 3.73Å; F229-P357 HydrophobicContact CZ-CB 3.93Å; D325-P357 WeakPolarHBondContact O-CG 3.38Å; V326-P357 WeakPolarHBondContact CA-O 3.32Å; V326-P357 HydrophobicContact CB-CB 4.32Å; V326-P357 HydrophobicContact CG2-CB 4.23Å; V327-P357 PolarHBondContact N-O 3.23Å; P357-Q417 HydrophobicContact CG-CG 4.48Å
358S98.8Very high97.4Very high0 Ų035.9 Ų35.90%018%0.179CC..EExtended strand (participates in β ladder)trans-131.4131.6-173.2-60.90000112.4F229 V327 I356 C415 F416F229-S358 WeakPolarHBondContact CZ-O 3.35Å; V327-S358 CarbonylContact O-C 3.53Å; V327-S358 WeakPolarHBondContact O-CA 3.48Å; I356-S358 PolarHBondContact O-N 2.92Å; I356-S358 PolarHBondContact O-OG 2.96Å; S358-C415 WeakPolarHBondContact O-CA 3.36Å; S358-F416 PolarHBondContact N-O 3.12Å; S358-F416 PolarHBondContact O-N 3.48Å
359F98.8Very high97.4Very high0 Ų040.5 Ų40.50%020%0.2CC..EExtended strand (participates in β ladder)trans-127.8108.4-179-167.8-73.5000110.6T221 A225 F229 V327 V328 G329 T361 C413 V414 C415T221-F359 HydrophobicContact CG2-CD1 3.92Å; T221-F359 HydrophobicContact CG2-CE1 3.47Å; T221-F359 VanDerWaalsContact CG2-CE1 3.47Å; T221-F359 HydrophobicContact CG2-CZ 4.34Å; A225-F359 HydrophobicContact CB-CB 3.63Å; A225-F359 HydrophobicContact CB-CD1 4.33Å; A225-F359 HydrophobicContact CB-CD2 3.78Å; A225-F359 HydrophobicContact CB-CG 3.65Å; F229-F359 HydrophobicContact CE2-CB 4.24Å; V327-F359 PolarHBondContact O-N 3.18Å; V328-F359 CarbonylContact C-O 3.59Å; V328-F359 VanDerWaalsContact CA-O 3.24Å; V328-F359 WeakPolarHBondContact CA-O 3.33Å; V328-F359 HydrophobicContact CG2-CB 4.39Å; G329-F359 PolarHBondContact N-O 3.12Å; F359-T361 HydrophobicContact CD1-CG2 4.4Å; F359-T361 HydrophobicContact CE1-CG2 3.96Å; F359-C413 HydrophobicContact CD1-CB 4.43Å; F359-C413 HydrophobicContact CE1-CB 3.45Å; F359-C413 VanDerWaalsContact CE1-CB 3.45Å; F359-C413 HydrophobicContact CE2-CB 4.41Å; F359-C413 HydrophobicContact CZ-CB 3.43Å; F359-C413 VanDerWaalsContact CZ-CB 3.43Å; F359-V414 WeakPolarHBondContact CA-O 3.2Å; F359-C415 HydrophobicContact CD2-CB 4.48Å; F359-C415 WeakPolarHBondContact CD2-SG 3.42Å; F359-C415 WeakPolarHBondContact CE2-SG 3.38Å
360F98.7Very high97.4Very high0 Ų043.9 Ų43.90%021%0.21CC..EExtended strand (participates in β ladder)trans-111.1147.5-179.3-68.6-6.8000112.1V243 V327 G329 P332 F334 W344 L348 L351 M362 C413 V414 F416V243-F360 HydrophobicContact CG2-CE1 3.77Å; V243-F360 HydrophobicContact CG2-CZ 4.08Å; V327-F360 HydrophobicContact CG1-CE1 4.11Å; G329-F360 VanDerWaalsContact CA-CD1 3.47Å; G329-F360 VanDerWaalsContact N-CD1 3.31Å; G329-F360 CarbonylContact O-C 3.49Å; G329-F360 VanDerWaalsContact O-CA 3.26Å; G329-F360 WeakPolarHBondContact O-CA 3.35Å; P332-F360 HydrophobicContact CG-CB 4.37Å; P332-F360 HydrophobicContact CG-CD2 3.91Å; P332-F360 HydrophobicContact CG-CE2 4.4Å; P332-F360 HydrophobicContact CG-CG 4.2Å; F334-F360 AromaticContact CE1-CD2 3.69Å; F334-F360 HydrophobicContact CE1-CD2 3.69Å; F334-F360 AromaticContact CE1-CE2 3.81Å; F334-F360 HydrophobicContact CE1-CE2 3.81Å; F334-F360 HydrophobicContact CZ-CD2 4.27Å; W344-F360 HydrophobicContact CZ3-CZ 4.2Å; L348-F360 HydrophobicContact CD2-CE2 3.76Å; L348-F360 HydrophobicContact CD2-CZ 4.33Å; L351-F360 HydrophobicContact CD1-CE1 4.43Å; L351-F360 HydrophobicContact CD1-CZ 3.79Å; F360-M362 HydrophobicContact CB-CE 4.16Å; F360-C413 CarbonylContact O-C 3.59Å; F360-C413 WeakPolarHBondContact O-CA 3.45Å; F360-C413 WeakPolarHBondContact O-CB 3.48Å; F360-V414 HydrophobicContact CB-CG1 3.91Å; F360-V414 PolarHBondContact N-O 3.4Å; F360-V414 PolarHBondContact O-N 2.85Å; F360-F416 HydrophobicContact CD1-CE1 4.34Å; F360-F416 AromaticContact CD2-CE1 3.64Å; F360-F416 HydrophobicContact CD2-CE1 3.64Å; F360-F416 AromaticContact CD2-CZ 3.91Å; F360-F416 HydrophobicContact CD2-CZ 3.91Å; F360-F416 HydrophobicContact CE1-CZ 4.33Å; F360-F416 AromaticContact CE2-CE1 3.87Å; F360-F416 HydrophobicContact CE2-CE1 3.87Å; F360-F416 AromaticContact CE2-CZ 3.61Å; F360-F416 HydrophobicContact CE2-CZ 3.61Å; F360-F416 AromaticContact CG-CE1 3.92Å; F360-F416 HydrophobicContact CG-CE1 3.92Å; F360-F416 HydrophobicContact CG-CZ 4.41Å; F360-F416 HydrophobicContact CZ-CE1 4.32Å; F360-F416 AromaticContact CZ-CZ 3.85Å; F360-F416 HydrophobicContact CZ-CZ 3.85Å
361T98.6Very high97.3Very high0 Ų043 Ų430%021%0.205CC..EExtended strand (participates in β ladder)trans-114.6155.9175.165.50000113.4T221 G329 F330 H331 P332 F359 N410 H412 C413T221-T361 HydrophobicContact CG2-CG2 3.61Å; G329-T361 PolarHBondContact O-N 2.99Å; F330-T361 WeakPolarHBondContact CA-OG1 3.03Å; F330-T361 HydrophobicContact CD1-CG2 4.35Å; H331-T361 VanDerWaalsContact CA-O 3.25Å; H331-T361 WeakPolarHBondContact CA-O 3.35Å; H331-T361 PolarHBondContact N-O 3.37Å; H331-T361 PolarHBondContact N-OG1 3.24Å; P332-T361 WeakPolarHBondContact CD-O 3.33Å; F359-T361 HydrophobicContact CD1-CG2 4.4Å; F359-T361 HydrophobicContact CE1-CG2 3.96Å; T361-N410 WeakPolarHBondContact CB-OD1 3.49Å; T361-N410 HydrophobicContact CG2-CB 4.04Å; T361-N410 PolarHBondContact OG1-OD1 3.44Å; T361-H412 CarbonylContact C-O 3.51Å; T361-H412 WeakPolarHBondContact CA-O 3.13Å; T361-H412 WeakPolarHBondContact CB-O 3.11Å; T361-C413 HydrophobicContact CG2-CB 4.37Å
362M97.7Very high97.3Very high0 Ų043.8 Ų43.80%021%0.21CC..EExtended strand (participates in β ladder)trans-134.6157.5-179.5-56-61.1157.600111H331 P332 F334 F360 E367 L368 S371 S411 H412H331-M362 PolarHBondContact CE1-O 2.7Å; H331-M362 VanDerWaalsContact ND1-C 3.34Å; P332-M362 HydrophobicContact CG-CE 3.79Å; F334-M362 HydrophobicContact CE1-CE 4.41Å; F334-M362 HydrophobicContact CZ-CE 4.26Å; F360-M362 HydrophobicContact CB-CE 4.16Å; M362-E367 HydrophobicContact CB-CB 3.9Å; M362-E367 HydrophobicContact CG-CB 4.36Å; M362-L368 HydrophobicContact CB-CB 4.44Å; M362-L368 HydrophobicContact CG-CB 4.3Å; M362-S371 VanDerWaalsContact CE-OG 3.23Å; M362-S371 WeakPolarHBondContact CE-OG 3.19Å; M362-S411 PolarHBondContact O-N 3.13Å; M362-H412 HydrophobicContact CB-CB 4.41Å; M362-H412 PolarHBondContact N-O 3.27Å; M362-H412 PolarHBondContact O-N 3.32Å; M362-H412 VanDerWaalsContact O-N 3.14Å
363F94.8Very high97.3Very high58 Ų5847.2 Ų47.225%0.25423%0.227SC..SBendtrans-78.7-20.6-179.5-73-72.4000113.2H331 E367 V407 C409 S411H331-F363 HydrophobicContact CB-CD2 4.06Å; H331-F363 HydrophobicContact CB-CE2 3.48Å; H331-F363 VanDerWaalsContact CB-CE2 3.48Å; H331-F363 HydrophobicContact CB-CZ 3.92Å; H331-F363 AromaticContact CD2-CE1 3.89Å; H331-F363 AromaticContact CD2-CZ 3.63Å; H331-F363 AromaticContact CE1-CD1 3.36Å; H331-F363 WeakPolarHBondContact CE1-CD1 3.46Å; H331-F363 AromaticContact CE1-CD2 3.86Å; H331-F363 AromaticContact CE1-CE1 3.52Å; H331-F363 AromaticContact CE1-CG 3.53Å; H331-F363 AromaticContact CE1-CZ 3.83Å; H331-F363 PolarHBondContact CE1-N 3.43Å; H331-F363 AromaticContact CG-CD2 3.75Å; H331-F363 AromaticContact CG-CE1 3.94Å; H331-F363 AromaticContact CG-CE2 3.34Å; H331-F363 AromaticContact CG-CZ 3.44Å; H331-F363 VanDerWaalsContact CG-CZ 3.44Å; H331-F363 AromaticContact ND1-CD1 3.63Å; H331-F363 AromaticContact ND1-CD2 3.22Å; H331-F363 WeakPolarHBondContact ND1-CD2 3.2Å; H331-F363 AromaticContact ND1-CE1 3.74Å; H331-F363 AromaticContact ND1-CE2 3.35Å; H331-F363 VanDerWaalsContact ND1-CE2 3.35Å; H331-F363 WeakPolarHBondContact ND1-CE2 3.47Å; H331-F363 AromaticContact ND1-CG 3.36Å; H331-F363 WeakPolarHBondContact ND1-CG 3.46Å; H331-F363 AromaticContact ND1-CZ 3.59Å; H331-F363 PolarHBondContact ND1-N 2.9Å; H331-F363 AromaticContact NE2-CD1 3.92Å; H331-F363 AromaticContact NE2-CE1 3.62Å; H331-F363 AromaticContact NE2-CZ 3.88Å; F363-E367 WeakPolarHBondContact CB-OE2 3.39Å; F363-E367 PolarHBondContact N-OE2 2.86Å; F363-V407 HydrophobicContact CB-CB 3.95Å; F363-V407 HydrophobicContact CB-CG1 4.42Å; F363-V407 HydrophobicContact CB-CG2 3.99Å; F363-V407 HydrophobicContact CD1-CG2 3.95Å; F363-V407 HydrophobicContact CG-CG2 4.15Å; F363-C409 HydrophobicContact CE1-CB 4.41Å; F363-S411 WeakPolarHBondContact O-CB 3.35Å
364S94.4Very high97.2Very high27 Ų2744 Ų4419%0.18921%0.21CC..SBendtrans-154.1164.2-177.268.40000112.2M366 E367 L368S364-M366 VanDerWaalsContact C-N 3.26Å; S364-M366 PolarHBondContact O-N 3.34Å; S364-E367 PolarHBondContact O-N 3.36Å; S364-E367 PolarHBondContact OG-N 3.2Å; S364-L368 PolarHBondContact O-N 3.36Å; S364-L368 VanDerWaalsContact O-N 3.07Å
365D95.8Very high97.2Very high81 Ų8138.9 Ų38.943%0.43319%0.19SC..Hα-helixtrans-59.1-39.1171.9179.650.6000111.6E367 L368 Q369 H412D365-E367 VanDerWaalsContact C-N 3.34Å; D365-E367 PolarHBondContact O-N 3.26Å; D365-L368 WeakPolarHBondContact O-CA 3.31Å; D365-L368 WeakPolarHBondContact O-CB 3.4Å; D365-L368 PolarHBondContact O-N 2.96Å; D365-L368 VanDerWaalsContact O-N 3.08Å; D365-Q369 WeakPolarHBondContact O-CG 3.31Å; D365-Q369 PolarHBondContact O-N 2.79Å; D365-Q369 PolarHBondContact OD1-NE2 3.09Å; D365-H412 PolarHBondContact N-CE1 3.46Å; D365-H412 PolarHBondContact N-ND1 3.32Å
366M94.6Very high97.2Very high116 Ų11638.7 Ų38.757%0.57119%0.188SC*.Hα-helixtrans-59.1-44.6177.9-173.2-176.376.200112.1S364 L368 Q369 Y370S364-M366 VanDerWaalsContact C-N 3.26Å; S364-M366 PolarHBondContact O-N 3.34Å; M366-L368 VanDerWaalsContact C-N 3.35Å; M366-Q369 PolarHBondContact O-N 3.38Å; M366-Y370 HydrophobicContact CE-CE2 4.26Å; M366-Y370 HydrophobicContact CG-CD2 4.15Å; M366-Y370 HydrophobicContact CG-CE2 3.54Å; M366-Y370 WeakPolarHBondContact O-CD2 3.41Å; M366-Y370 PolarHBondContact O-N 2.96Å; M366-Y370 HydrophobicContact SD-CE2 4.11Å
367E95.3Very high97.1Very high40 Ų4044.5 Ų44.519%0.18722%0.215CC..Hα-helixtrans-64.8-39174.7-70.7-174.8-173.500112H335 M362 F363 S364 D365 Y370 S371H335-E367 IonicContact CE1-OE2 3.41Å; H335-E367 VanDerWaalsContact NE2-CG 3.32Å; H335-E367 WeakPolarHBondContact NE2-CG 3.47Å; M362-E367 HydrophobicContact CB-CB 3.9Å; M362-E367 HydrophobicContact CG-CB 4.36Å; F363-E367 WeakPolarHBondContact CB-OE2 3.39Å; F363-E367 PolarHBondContact N-OE2 2.86Å; S364-E367 PolarHBondContact O-N 3.36Å; S364-E367 PolarHBondContact OG-N 3.2Å; D365-E367 VanDerWaalsContact C-N 3.34Å; D365-E367 PolarHBondContact O-N 3.26Å; E367-Y370 PolarHBondContact O-N 2.87Å; E367-S371 WeakPolarHBondContact O-CB 3.39Å; E367-S371 PolarHBondContact O-N 3.08Å; E367-S371 PolarHBondContact O-OG 3.36Å
368L97.5Very high96.9Very high2 Ų244.9 Ų44.91%0.0122%0.216CC..Hα-helixtrans-58.6-48.1173.9174.765.6000111.3M362 S364 D365 M366 Y370 S371 L372 H412 V414M362-L368 HydrophobicContact CB-CB 4.44Å; M362-L368 HydrophobicContact CG-CB 4.3Å; S364-L368 PolarHBondContact O-N 3.36Å; S364-L368 VanDerWaalsContact O-N 3.07Å; D365-L368 WeakPolarHBondContact O-CA 3.31Å; D365-L368 WeakPolarHBondContact O-CB 3.4Å; D365-L368 PolarHBondContact O-N 2.96Å; D365-L368 VanDerWaalsContact O-N 3.08Å; M366-L368 VanDerWaalsContact C-N 3.35Å; L368-Y370 PolarHBondContact O-N 3.12Å; L368-S371 PolarHBondContact O-N 3.25Å; L368-L372 HydrophobicContact CD1-CD1 4.09Å; L368-L372 HydrophobicContact CD1-CG 4.02Å; L368-L372 HydrophobicContact CD2-CD1 4.49Å; L368-L372 HydrophobicContact CG-CD1 3.92Å; L368-L372 HydrophobicContact CG-CG 4.3Å; L368-L372 WeakPolarHBondContact O-CB 3.16Å; L368-L372 WeakPolarHBondContact O-CG 3.48Å; L368-L372 PolarHBondContact O-N 3.48Å; L368-H412 HydrophobicContact CB-CB 4.1Å; L368-H412 HydrophobicContact CD2-CB 4.04Å; L368-V414 HydrophobicContact CD1-CB 3.94Å; L368-V414 HydrophobicContact CD1-CG1 4.43Å
369Q97.9Very high96.9Very high98 Ų9849.9 Ų49.946%0.45824%0.239SC..Hα-helixtrans-61.4-43.9-179.3-62.6-48.5-4400112D365 M366 L372 Q373D365-Q369 WeakPolarHBondContact O-CG 3.31Å; D365-Q369 PolarHBondContact O-N 2.79Å; D365-Q369 PolarHBondContact OD1-NE2 3.09Å; M366-Q369 PolarHBondContact O-N 3.38Å; Q369-L372 PolarHBondContact O-N 3Å; Q369-Q373 PolarHBondContact O-N 2.91Å; Q369-Q373 VanDerWaalsContact O-N 3.1Å
370Y96.9Very high96.8Very high121 Ų12149.9 Ų49.948%0.47524%0.239SC..Hα-helixtrans-64.8-40.3175.6-65.4-44.7000112.4M366 E367 L368 Q373 I374M366-Y370 HydrophobicContact CE-CE2 4.26Å; M366-Y370 HydrophobicContact CG-CD2 4.15Å; M366-Y370 HydrophobicContact CG-CE2 3.54Å; M366-Y370 WeakPolarHBondContact O-CD2 3.41Å; M366-Y370 PolarHBondContact O-N 2.96Å; M366-Y370 HydrophobicContact SD-CE2 4.11Å; E367-Y370 PolarHBondContact O-N 2.87Å; L368-Y370 PolarHBondContact O-N 3.12Å; Y370-Q373 PolarHBondContact O-N 3.35Å; Y370-I374 PolarHBondContact O-N 3.3Å
371S97.6Very high96.8Very high0 Ų053 Ų530%025%0.254CS..Hα-helixtrans-65.9-39.6176.1-84.40000112.7F334 H335 M362 E367 L368 Q373 I374 L375F334-S371 VanDerWaalsContact CE2-OG 3.23Å; F334-S371 WeakPolarHBondContact CE2-OG 3.22Å; F334-S371 WeakPolarHBondContact CZ-OG 3.49Å; H335-S371 PolarHBondContact ND1-OG 3.5Å; M362-S371 VanDerWaalsContact CE-OG 3.23Å; M362-S371 WeakPolarHBondContact CE-OG 3.19Å; E367-S371 WeakPolarHBondContact O-CB 3.39Å; E367-S371 PolarHBondContact O-N 3.08Å; E367-S371 PolarHBondContact O-OG 3.36Å; L368-S371 PolarHBondContact O-N 3.25Å; S371-Q373 VanDerWaalsContact C-N 3.35Å; S371-I374 PolarHBondContact O-N 3.45Å; S371-L375 VanDerWaalsContact O-CG 3.29Å; S371-L375 WeakPolarHBondContact O-CG 3.32Å; S371-L375 PolarHBondContact O-N 3.34Å
372L98Very high96.8Very high18 Ų1854.8 Ų54.89%0.09426%0.263CS..Hα-helixtrans-61.4-43175.9-77.5170.7000111.6L368 Q369 I374 L375 L376 I382 V414L368-L372 HydrophobicContact CD1-CD1 4.09Å; L368-L372 HydrophobicContact CD1-CG 4.02Å; L368-L372 HydrophobicContact CD2-CD1 4.49Å; L368-L372 HydrophobicContact CG-CD1 3.92Å; L368-L372 HydrophobicContact CG-CG 4.3Å; L368-L372 WeakPolarHBondContact O-CB 3.16Å; L368-L372 WeakPolarHBondContact O-CG 3.48Å; L368-L372 PolarHBondContact O-N 3.48Å; Q369-L372 PolarHBondContact O-N 3Å; L372-I374 VanDerWaalsContact C-N 3.34Å; L372-I374 PolarHBondContact O-N 3.29Å; L372-L375 PolarHBondContact O-N 3.5Å; L372-L376 WeakPolarHBondContact O-CB 3.27Å; L372-L376 VanDerWaalsContact O-CG 3.29Å; L372-L376 WeakPolarHBondContact O-CG 3.49Å; L372-L376 PolarHBondContact O-N 3.42Å; L372-I382 HydrophobicContact CD2-CD1 4.24Å; L372-I382 HydrophobicContact CD2-CG1 4.18Å; L372-I382 HydrophobicContact CD2-CG2 4.05Å; L372-V414 HydrophobicContact CD2-CB 4.32Å; L372-V414 HydrophobicContact CD2-CG2 3.62Å
373Q97.1Very high96.7Very high107 Ų10760.7 Ų60.750%0.529%0.285SS..Hα-helixtrans-56-49.9176.5-177.2-179.2-10.700111.2Q369 Y370 S371 L375 L376 E377Q369-Q373 PolarHBondContact O-N 2.91Å; Q369-Q373 VanDerWaalsContact O-N 3.1Å; Y370-Q373 PolarHBondContact O-N 3.35Å; S371-Q373 VanDerWaalsContact C-N 3.35Å; Q373-L375 PolarHBondContact O-N 3.49Å; Q373-L376 PolarHBondContact O-N 3.18Å; Q373-E377 WeakPolarHBondContact CG-OE1 3.37Å; Q373-E377 PolarHBondContact NE2-OE1 2.83Å; Q373-E377 WeakPolarHBondContact O-CG 3.43Å; Q373-E377 PolarHBondContact O-N 3.32Å
374I96.7Very high96.9Very high27 Ų2761.4 Ų61.414%0.13829%0.292CS..Hα-helixtrans-61.9-45179.1-65.5166.6000111F334 H335 V341 Y370 S371 L372 L376 E377 L378F334-I374 HydrophobicContact CD2-CB 4.45Å; F334-I374 HydrophobicContact CD2-CD1 3.92Å; F334-I374 HydrophobicContact CD2-CG2 4.16Å; F334-I374 HydrophobicContact CE2-CB 4.25Å; F334-I374 HydrophobicContact CE2-CD1 4.31Å; F334-I374 HydrophobicContact CE2-CG2 4.23Å; H335-I374 HydrophobicContact CB-CD1 3.84Å; V341-I374 HydrophobicContact CG2-CD1 4.27Å; Y370-I374 PolarHBondContact O-N 3.3Å; S371-I374 PolarHBondContact O-N 3.45Å; L372-I374 VanDerWaalsContact C-N 3.34Å; L372-I374 PolarHBondContact O-N 3.29Å; I374-L376 VanDerWaalsContact C-N 3.33Å; I374-L376 PolarHBondContact O-N 2.87Å; I374-E377 PolarHBondContact O-N 3.06Å; I374-L378 HydrophobicContact CG2-CD1 4.21Å; I374-L378 WeakPolarHBondContact O-CG 3.38Å; I374-L378 PolarHBondContact O-N 3Å
375L97.4Very high97.1Very high0 Ų062.5 Ų62.50%030%0.299CS..Hα-helixtrans-63.8-38.6-179.5-68.4171.5000112F334 L348 S371 L372 Q373 L378 E379 M380 I382 V414 F416F334-L375 HydrophobicContact CZ-CD1 4.44Å; F334-L375 HydrophobicContact CZ-CD2 4.28Å; F334-L375 HydrophobicContact CZ-CG 4.25Å; L348-L375 HydrophobicContact CD2-CD2 4.13Å; S371-L375 VanDerWaalsContact O-CG 3.29Å; S371-L375 WeakPolarHBondContact O-CG 3.32Å; S371-L375 PolarHBondContact O-N 3.34Å; L372-L375 PolarHBondContact O-N 3.5Å; Q373-L375 PolarHBondContact O-N 3.49Å; L375-L378 CarbonylContact O-C 3.33Å; L375-L378 PolarHBondContact O-N 3.5Å; L375-E379 PolarHBondContact O-N 2.97Å; L375-M380 HydrophobicContact CB-CB 4.11Å; L375-M380 HydrophobicContact CB-CG 4.08Å; L375-M380 HydrophobicContact CD2-CG 3.99Å; L375-M380 WeakPolarHBondContact O-CB 3.26Å; L375-M380 WeakPolarHBondContact O-CG 3.43Å; L375-M380 PolarHBondContact O-N 3.03Å; L375-I382 HydrophobicContact CB-CD1 3.93Å; L375-I382 HydrophobicContact CD1-CD1 4.13Å; L375-V414 HydrophobicContact CD1-CG1 3.97Å; L375-V414 HydrophobicContact CD1-CG2 4.15Å; L375-F416 HydrophobicContact CD1-CD1 4.01Å; L375-F416 HydrophobicContact CD1-CE1 4.12Å; L375-F416 HydrophobicContact CD2-CE1 4.31Å; L375-F416 HydrophobicContact CD2-CE2 4.41Å; L375-F416 HydrophobicContact CD2-CZ 4.19Å
376L96.8Very high97.2Very high87 Ų8759.3 Ų59.346%0.45529%0.285SS..Hα-helixtrans-69.1-39.1176.1-70.7169.2000112.3L372 Q373 I374 L378 E379 I382L372-L376 WeakPolarHBondContact O-CB 3.27Å; L372-L376 VanDerWaalsContact O-CG 3.29Å; L372-L376 WeakPolarHBondContact O-CG 3.49Å; L372-L376 PolarHBondContact O-N 3.42Å; Q373-L376 PolarHBondContact O-N 3.18Å; I374-L376 VanDerWaalsContact C-N 3.33Å; I374-L376 PolarHBondContact O-N 2.87Å; L376-L378 PolarHBondContact O-N 2.77Å; L376-E379 WeakPolarHBondContact O-CA 3.2Å; L376-E379 PolarHBondContact O-N 3.06Å; L376-I382 HydrophobicContact CD2-CG1 3.9Å; L376-I382 HydrophobicContact CG-CG1 4.35Å
377E96.2Very high97.3Very high131 Ų13158.2 Ų58.261%0.61229%0.287SS*.Hα-helixtrans-61.8-28.1172.3-74.3173.7-166.500112.1Q373 I374 E379Q373-E377 WeakPolarHBondContact CG-OE1 3.37Å; Q373-E377 PolarHBondContact NE2-OE1 2.83Å; Q373-E377 WeakPolarHBondContact O-CG 3.43Å; Q373-E377 PolarHBondContact O-N 3.32Å; I374-E377 PolarHBondContact O-N 3.06Å; E377-E379 VanDerWaalsContact C-N 3.26Å; E377-E379 PolarHBondContact O-N 3.03Å
378L96.4Very high97.5Very high29 Ų2956.6 Ų56.615%0.15228%0.279CS..THydrogen-bonded Turntrans-8610.7171.8-63.1176.8000113.5L345 L348 L349 R352 I374 L375 L376 M380L345-L378 HydrophobicContact CD1-CD1 4.13Å; L345-L378 HydrophobicContact CD1-CD2 3.5Å; L345-L378 VanDerWaalsContact CD1-CD2 3.5Å; L345-L378 HydrophobicContact CD1-CG 4.48Å; L348-L378 HydrophobicContact CB-CD1 3.94Å; L348-L378 HydrophobicContact CD1-CD1 3.67Å; L348-L378 HydrophobicContact CG-CD1 4.44Å; L349-L378 HydrophobicContact CD2-CD2 4.29Å; R352-L378 WeakPolarHBondContact CD-O 3.46Å; R352-L378 PolarHBondContact NH1-O 2.8Å; I374-L378 HydrophobicContact CG2-CD1 4.21Å; I374-L378 WeakPolarHBondContact O-CG 3.38Å; I374-L378 PolarHBondContact O-N 3Å; L375-L378 CarbonylContact O-C 3.33Å; L375-L378 PolarHBondContact O-N 3.5Å; L376-L378 PolarHBondContact O-N 2.77Å; L378-M380 HydrophobicContact CB-CE 4.25Å; L378-M380 HydrophobicContact CB-CG 4.28Å; L378-M380 PolarHBondContact O-N 3.33Å
379E97.2Very high97.4Very high105 Ų10558.7 Ų58.749%0.49129%0.293SS..THydrogen-bonded Turntrans56.435.7179.6-54.1177.2124.600112.8R352 L375 L376 E377 L419 L420R352-E379 IonicContact NH1-OE2 2.82Å; L375-E379 PolarHBondContact O-N 2.97Å; L376-E379 WeakPolarHBondContact O-CA 3.2Å; L376-E379 PolarHBondContact O-N 3.06Å; E377-E379 VanDerWaalsContact C-N 3.26Å; E377-E379 PolarHBondContact O-N 3.03Å; E379-L419 HydrophobicContact CB-CD2 4.24Å; E379-L419 CarbonylContact O-C 3.59Å; E379-L419 WeakPolarHBondContact O-CA 3.33Å; E379-L420 HydrophobicContact CB-CB 4.49Å; E379-L420 WeakPolarHBondContact O-CB 3.35Å; E379-L420 PolarHBondContact O-N 3.32Å
380M97.8Very high97.4Very high0 Ų054.1 Ų54.10%027%0.272CS..EExtended strand (participates in β ladder)trans-75.4134.2173.4-63.6-77.7175.500110.6L348 R352 L375 L378 I382 F416L348-M380 HydrophobicContact CB-CE 4.03Å; L348-M380 WeakPolarHBondContact O-CE 3.35Å; R352-M380 HydrophobicContact CB-CE 3.5Å; R352-M380 HydrophobicContact CB-SD 3.54Å; R352-M380 VanDerWaalsContact CB-SD 3.54Å; R352-M380 HydrophobicContact CG-CE 4.02Å; R352-M380 HydrophobicContact CG-SD 3.64Å; L375-M380 HydrophobicContact CB-CB 4.11Å; L375-M380 HydrophobicContact CB-CG 4.08Å; L375-M380 HydrophobicContact CD2-CG 3.99Å; L375-M380 WeakPolarHBondContact O-CB 3.26Å; L375-M380 WeakPolarHBondContact O-CG 3.43Å; L375-M380 PolarHBondContact O-N 3.03Å; L378-M380 HydrophobicContact CB-CE 4.25Å; L378-M380 HydrophobicContact CB-CG 4.28Å; L378-M380 PolarHBondContact O-N 3.33Å; M380-I382 HydrophobicContact CB-CD1 4.2Å; M380-I382 PolarHBondContact O-N 2.89Å; M380-I382 VanDerWaalsContact O-N 3.12Å; M380-F416 HydrophobicContact CB-CD2 4.37Å; M380-F416 HydrophobicContact CG-CD2 4.31Å; M380-F416 HydrophobicContact SD-CD2 3.69Å; M380-F416 HydrophobicContact SD-CE2 3.88Å
381H98Very high97.5Very high67 Ų6749.5 Ų49.531%0.3126%0.257SS..EExtended strand (participates in β ladder)trans-75.7101.2168.5178.9-153.1000110.5R383 F416 Q417 G418 L419H381-R383 PolarHBondContact O-N 3.05Å; H381-F416 WeakPolarHBondContact O-CA 3.19Å; H381-F416 WeakPolarHBondContact O-CB 3.41Å; H381-Q417 WeakPolarHBondContact CB-O 3.39Å; H381-Q417 PolarHBondContact O-N 3.17Å; H381-G418 PolarHBondContact N-O 3.14Å; H381-L419 WeakPolarHBondContact CB-O 3.49Å
382I98.1Very high97.5Very high37 Ų3749.6 Ų49.619%0.1926%0.258CS..EExtended strand (participates in β ladder)trans-74.3119172.4-52.6-51.6000109.2L372 L375 L376 M380 V414 F416L372-I382 HydrophobicContact CD2-CD1 4.24Å; L372-I382 HydrophobicContact CD2-CG1 4.18Å; L372-I382 HydrophobicContact CD2-CG2 4.05Å; L375-I382 HydrophobicContact CB-CD1 3.93Å; L375-I382 HydrophobicContact CD1-CD1 4.13Å; L376-I382 HydrophobicContact CD2-CG1 3.9Å; L376-I382 HydrophobicContact CG-CG1 4.35Å; M380-I382 HydrophobicContact CB-CD1 4.2Å; M380-I382 PolarHBondContact O-N 2.89Å; M380-I382 VanDerWaalsContact O-N 3.12Å; I382-V414 HydrophobicContact CD1-CG2 4.01Å; I382-V414 HydrophobicContact CG2-CG2 4.02Å; I382-F416 HydrophobicContact CD1-CB 3.77Å
383R97.3Very high97.4Very high124 Ų12452 Ų5247%0.46827%0.269SS..EExtended strand (participates in β ladder)trans-90.1-38.9178.5-68.4-174.961.5178.9-6.9112.7F229 H381 C415 Q417F229-R383 VanDerWaalsContact CD1-NH1 3.32Å; H381-R383 PolarHBondContact O-N 3.05Å; R383-C415 HydrophobicContact CB-CB 4.46Å; R383-C415 PolarHBondContact N-O 2.93Å; R383-Q417 VanDerWaalsContact NH1-OE1 3.09Å
384D97.6Very high97.5Very high73 Ų7347.1 Ų47.139%0.3925%0.246SC..EExtended strand (participates in β ladder)trans-159.9156.2179.1-16613.9000110.5Q228 C415Q228-D384 PolarHBondContact NE2-OD2 3.04Å; D384-C415 HydrophobicContact CB-CB 4.29Å; D384-C415 PolarHBondContact N-O 3.15Å; D384-C415 PolarHBondContact O-N 3.31Å
385S98.1Very high97.5Very high49 Ų4946 Ų4634%0.34324%0.24SC..EExtended strand (participates in β ladder)trans-159.6154.8172.166.80000111.5C413S385-C413 CarbonylContact C-O 3.56Å; S385-C413 VanDerWaalsContact CA-O 3.26Å; S385-C413 WeakPolarHBondContact CA-O 3.17Å
386G98Very high97.2Very high14 Ų1448.7 Ų48.714%0.14425%0.253CS..EExtended strand (participates in β ladder)trans148.8-158.3175.100000113.2H412 C413G386-H412 CarbonylContact O-C 3.6Å; G386-H412 VanDerWaalsContact O-CA 3.3Å; G386-H412 WeakPolarHBondContact O-CA 3.48Å; G386-C413 PolarHBondContact N-O 3.14Å; G386-C413 PolarHBondContact O-N 2.5Å
387P98.1Very high97Very high94 Ų9445.6 Ų45.661%0.6124%0.236SC*.EExtended strand (participates in β ladder)trans-60.4144.1177.3-23.234.3000112.4R224R224-P387 PolarHBondContact NH2-O 2.79Å; R224-P387 VanDerWaalsContact NH2-O 3.12Å
388N98.1Very high96.6Very high5 Ų541.8 Ų41.83%0.02722%0.222CC..  trans-97.8118.5170.1-177.923000109.9T221 R224 F390 S391 N410 S411T221-N388 PolarHBondContact OG1-ND2 3.48Å; R224-N388 VanDerWaalsContact NH1-CA 3.32Å; R224-N388 PolarHBondContact NH1-OD1 3.4Å; N388-F390 PolarHBondContact O-N 3Å; N388-F390 VanDerWaalsContact O-N 3.14Å; N388-S391 WeakPolarHBondContact O-CB 3.47Å; N388-S391 PolarHBondContact O-N 2.86Å; N388-N410 WeakPolarHBondContact CB-O 3.33Å; N388-N410 PolarHBondContact ND2-O 3.18Å; N388-S411 PolarHBondContact N-O 2.93Å
389P96.9Very high96.1Very high46 Ų4642.3 Ų42.330%0.29922%0.223SC..THydrogen-bonded Turntrans-68.4-15.5-175.329.2-36.3000113.4K162 W164K162-P389 WeakPolarHBondContact O-CB 3.47Å; K162-P389 WeakPolarHBondContact O-CG 3.42Å; W164-P389 VanDerWaalsContact CD1-O 3.25Å
390F97.4Very high95.6Very high3 Ų337.6 Ų37.61%0.01320%0.202CC..THydrogen-bonded Turntrans-101.530.1172.3-59.7-67.2000112.3V161 W164 W167 S217 L220 N388V161-F390 HydrophobicContact CG1-CE1 4.31Å; V161-F390 HydrophobicContact CG1-CZ 3.96Å; W164-F390 HydrophobicContact CD2-CD1 4.41Å; W167-F390 HydrophobicContact CB-CE1 4.3Å; S217-F390 WeakPolarHBondContact CA-O 3.34Å; S217-F390 WeakPolarHBondContact CB-O 3.46Å; S217-F390 PolarHBondContact OG-O 3.47Å; L220-F390 HydrophobicContact CB-CB 3.92Å; L220-F390 HydrophobicContact CB-CD1 4.14Å; L220-F390 HydrophobicContact CB-CD2 4.04Å; L220-F390 HydrophobicContact CB-CG 3.77Å; L220-F390 HydrophobicContact CD1-CB 4.37Å; L220-F390 HydrophobicContact CD1-CD1 3.61Å; L220-F390 HydrophobicContact CD1-CE1 4.08Å; L220-F390 HydrophobicContact CD1-CG 4.09Å; L220-F390 HydrophobicContact CG-CD1 4.42Å; N388-F390 PolarHBondContact O-N 3Å; N388-F390 VanDerWaalsContact O-N 3.14Å
391S98Very high95.1Very high23 Ų2338.6 Ų38.616%0.16121%0.209CC..  trans-55.6138.7170.1-179.30000110.9W164 N388 C409 N410 S411W164-S391 PolarHBondContact NE1-O 3.46Å; N388-S391 WeakPolarHBondContact O-CB 3.47Å; N388-S391 PolarHBondContact O-N 2.86Å; S391-C409 PolarHBondContact OG-O 2.89Å; S391-N410 WeakPolarHBondContact CA-O 3.26Å; S391-S411 VanDerWaalsContact OG-CA 3.26Å; S391-S411 WeakPolarHBondContact OG-CA 3.33Å
392S97.8Very high94.6Very high3 Ų335.9 Ų35.92%0.02120%0.198CC..  trans-54.8143.41731770000111.3E214 S217 K394 Y408 C409E214-S392 WeakPolarHBondContact CA-OG 3.24Å; E214-S392 WeakPolarHBondContact CB-OG 3.29Å; S217-S392 PolarHBondContact OG-N 3.31Å; S392-K394 WeakPolarHBondContact OG-CB 3.38Å; S392-K394 PolarHBondContact OG-N 3.02Å; S392-K394 VanDerWaalsContact OG-N 3.1Å; S392-Y408 VanDerWaalsContact O-CD1 3.3Å; S392-Y408 WeakPolarHBondContact O-CD1 3.27Å; S392-C409 WeakPolarHBondContact CB-O 3.39Å; S392-C409 PolarHBondContact N-O 2.97Å
393Q97.3Very high94.2Very high69 Ų6936 Ų3632%0.32220%0.198SC..SBendtrans-89.6-4.5173.4-58.2-169.2-8.300112.8R210 S213 P395R210-Q393 VanDerWaalsContact CD-O 3.25Å; R210-Q393 WeakPolarHBondContact CD-O 3.29Å; R210-Q393 HydrophobicContact CG-CB 4.21Å; R210-Q393 WeakPolarHBondContact CG-O 3.44Å; S213-Q393 WeakPolarHBondContact OG-CB 3.23Å; S213-Q393 PolarHBondContact OG-N 3.49Å; Q393-P395 WeakPolarHBondContact O-CD 3.18Å
394K97.6Very high93.9Very high4 Ų435.4 Ų35.42%0.01720%0.199CC..SBendtrans-78.2119.1176.5-172.5-172.5170.4-147.90110.6D135 E139 R210 I211 E214 S392 E396 Y408D135-K394 HydrophobicContact CB-CG 4.44Å; E139-K394 IonicContact OE1-NZ 3.6Å; E139-K394 PolarHBondContact OE1-NZ 3.08Å; E139-K394 IonicContact OE2-NZ 2.71Å; R210-K394 HydrophobicContact CB-CB 4.11Å; I211-K394 HydrophobicContact CG1-CD 4.34Å; E214-K394 WeakPolarHBondContact OE2-CD 3.46Å; E214-K394 IonicContact OE2-NZ 3.62Å; E214-K394 PolarHBondContact OE2-NZ 3.17Å; E214-K394 VanDerWaalsContact OE2-NZ 3.1Å; S392-K394 WeakPolarHBondContact OG-CB 3.38Å; S392-K394 PolarHBondContact OG-N 3.02Å; S392-K394 VanDerWaalsContact OG-N 3.1Å; K394-E396 WeakPolarHBondContact CE-OE1 3.18Å; K394-E396 IonicContact NZ-OE1 3.74Å; K394-E396 PolarHBondContact NZ-OE1 2.99Å; K394-Y408 WeakPolarHBondContact O-CD1 3.47Å
395P96.7Very high93.6Very high3 Ų336.7 Ų36.72%0.01921%0.211CC..EExtended strand (participates in β ladder)trans-75.3131173.529.9-32.4000110.6I128 L131 V132 Q393 P406 Y408I128-P395 HydrophobicContact CG2-CB 3.59Å; I128-P395 HydrophobicContact CG2-CG 3.9Å; L131-P395 HydrophobicContact CB-CG 4.08Å; V132-P395 HydrophobicContact CG2-CB 4.12Å; V132-P395 HydrophobicContact CG2-CG 3.93Å; Q393-P395 WeakPolarHBondContact O-CD 3.18Å; P395-P406 HydrophobicContact CB-CB 3.77Å; P395-P406 HydrophobicContact CB-CG 4.48Å; P395-Y408 HydrophobicContact CB-CE1 3.96Å
396E91.9Very high93.3Very high56 Ų5635 Ų3526%0.26220%0.199SC..EExtended strand (participates in β ladder)trans-106.6125.1175.7-74.3-65.1174.700111.5K394 P406 V407K394-E396 WeakPolarHBondContact CE-OE1 3.18Å; K394-E396 IonicContact NZ-OE1 3.74Å; K394-E396 PolarHBondContact NZ-OE1 2.99Å; E396-P406 CarbonylContact O-C 3.6Å; E396-P406 WeakPolarHBondContact O-CA 3.31Å; E396-P406 WeakPolarHBondContact O-CB 3.46Å; E396-V407 HydrophobicContact CB-CG2 3.96Å; E396-V407 PolarHBondContact N-O 3.41Å; E396-V407 PolarHBondContact O-N 2.9Å
397Q92.4Very high93.1Very high23 Ų2336 Ų3611%0.10720%0.202CC..  trans-92.3129178.7-178.2-173.344.300110.7N106 L129 V132 Q399 P402N106-Q397 PolarHBondContact ND2-NE2 3.44Å; N106-Q397 PolarHBondContact ND2-OE1 2.82Å; L129-Q397 HydrophobicContact CD2-CB 4.13Å; L129-Q397 HydrophobicContact CD2-CG 3.89Å; V132-Q397 HydrophobicContact CG1-CB 3.87Å; V132-Q397 HydrophobicContact CG2-CB 4.34Å; Q397-Q399 PolarHBondContact O-N 3.19Å; Q397-P402 PolarHBondContact NE2-O 2.95Å; Q397-P402 VanDerWaalsContact NE2-O 3.08Å
398V88.4Confident93Very high51 Ų5135 Ų3531%0.30919%0.187SC..  trans-65.2102.3164.8-176.10000109.2A400 C401V398-A400 VanDerWaalsContact C-N 3.3Å; V398-A400 PolarHBondContact O-N 3.42Å; V398-C401 HydrophobicContact CB-CB 4.42Å; V398-C401 HydrophobicContact CG1-CB 4.05Å; V398-C401 CarbonylContact O-C 3.49Å; V398-C401 PolarHBondContact O-N 3.39Å
399Q85.8Confident92.9Very high39 Ų3935.2 Ų35.218%0.18219%0.189CC..THydrogen-bonded Turntrans-52.4-44.6-172.1175.2175-3.900113L29 L36 T78 F79 F81 Q397 C401L29-Q399 HydrophobicContact CD2-CB 4.04Å; L29-Q399 HydrophobicContact CD2-CG 3.96Å; L36-Q399 HydrophobicContact CD2-CG 4.41Å; T78-Q399 PolarHBondContact O-NE2 2.85Å; F79-Q399 HydrophobicContact CD1-CB 4.48Å; F79-Q399 HydrophobicContact CD1-CG 3.75Å; F79-Q399 HydrophobicContact CE1-CB 4.35Å; F79-Q399 HydrophobicContact CE1-CG 3.96Å; F81-Q399 WeakPolarHBondContact CE1-O 3.18Å; F81-Q399 WeakPolarHBondContact CZ-O 3.44Å; Q397-Q399 PolarHBondContact O-N 3.19Å; Q399-C401 PolarHBondContact O-N 3.2Å
400A86Confident93Very high6 Ų633 Ų335%0.0518%0.175CC..THydrogen-bonded Turntrans-73.1-14.9-178.500000113.9L29 N32 V33 V398L29-A400 HydrophobicContact CD2-CB 3.94Å; N32-A400 HydrophobicContact CB-CB 3.54Å; V33-A400 HydrophobicContact CG2-CB 4.32Å; V33-A400 WeakPolarHBondContact CG2-O 3.25Å; V398-A400 VanDerWaalsContact C-N 3.3Å; V398-A400 PolarHBondContact O-N 3.42Å
401C87.8Confident93Very high22 Ų2234 Ų3415%0.14918%0.181CC..  trans-136.169-176.1-66.90000109.8N32 V398 Q399 N403 K404N32-C401 VanDerWaalsContact CG-SG 3.59Å; N32-C401 PolarHBondContact OD1-SG 3.35Å; V398-C401 HydrophobicContact CB-CB 4.42Å; V398-C401 HydrophobicContact CG1-CB 4.05Å; V398-C401 CarbonylContact O-C 3.49Å; V398-C401 PolarHBondContact O-N 3.39Å; Q399-C401 PolarHBondContact O-N 3.2Å; C401-N403 PolarHBondContact O-N 2.92Å; C401-K404 HydrophobicContact CB-CB 4.38Å; C401-K404 HydrophobicContact CB-CD 3.67Å; C401-K404 HydrophobicContact CB-CG 3.77Å; C401-K404 WeakPolarHBondContact O-CB 3.36Å; C401-K404 PolarHBondContact O-N 2.86Å
402P86.7Confident93Very high10 Ų1034.3 Ų34.37%0.06518%0.18CC..THydrogen-bonded Turntrans-65.9-13.9-165.424.9-34.4000114.2F81 A83 V107 L129 Q397F81-P402 HydrophobicContact CE2-CG 4.17Å; F81-P402 HydrophobicContact CZ-CG 3.98Å; A83-P402 HydrophobicContact CB-CG 3.8Å; V107-P402 HydrophobicContact CG1-CB 3.73Å; V107-P402 HydrophobicContact CG1-CG 4.45Å; L129-P402 WeakPolarHBondContact CD1-O 3.4Å; Q397-P402 PolarHBondContact NE2-O 2.95Å; Q397-P402 VanDerWaalsContact NE2-O 3.08Å
403N89.3Confident93.1Very high39 Ų3934.2 Ų34.221%0.20918%0.18CC..THydrogen-bonded Turntrans-92.6-7.2176.5-68-40.5000114.4D118 H121 H122 C401D118-N403 PolarHBondContact OD1-ND2 2.79Å; D118-N403 PolarHBondContact OD2-ND2 2.91Å; H121-N403 HydrophobicContact CB-CB 4.28Å; H122-N403 WeakPolarHBondContact CA-OD1 3.11Å; C401-N403 PolarHBondContact O-N 2.92Å
404K91.2Very high93.1Very high112 Ų11230.9 Ų30.949%0.48716%0.164SC..SBendtrans-62.7141.1169.2-77.4-175.6-179.5-177.50108.5C401C401-K404 HydrophobicContact CB-CB 4.38Å; C401-K404 HydrophobicContact CB-CD 3.67Å; C401-K404 HydrophobicContact CB-CG 3.77Å; C401-K404 WeakPolarHBondContact O-CB 3.36Å; C401-K404 PolarHBondContact O-N 2.86Å
405P91.6Very high93.2Very high99 Ų9930.8 Ų30.864%0.64316%0.164SC*.PPolyproline II helixtrans-50.4132.7169.3-26.235.4000109.9
406P93.4Very high93.2Very high13 Ų1330.7 Ų30.78%0.08416%0.163CC..PPolyproline II helixtrans-58.6148.8173.4-28.939.7000111.6I128 L129 P395 E396I128-P406 HydrophobicContact CB-CG 4.34Å; I128-P406 HydrophobicContact CG2-CB 4.18Å; I128-P406 HydrophobicContact CG2-CG 3.68Å; L129-P406 HydrophobicContact CD2-CG 4.14Å; P395-P406 HydrophobicContact CB-CB 3.77Å; P395-P406 HydrophobicContact CB-CG 4.48Å; E396-P406 CarbonylContact O-C 3.6Å; E396-P406 WeakPolarHBondContact O-CA 3.31Å; E396-P406 WeakPolarHBondContact O-CB 3.46Å
407V93.7Very high93.5Very high35 Ų3530 Ų3021%0.21216%0.16CC..EExtended strand (participates in β ladder)trans-103.6171.5176.1-61.10000110.4F363 E396F363-V407 HydrophobicContact CB-CB 3.95Å; F363-V407 HydrophobicContact CB-CG1 4.42Å; F363-V407 HydrophobicContact CB-CG2 3.99Å; F363-V407 HydrophobicContact CD1-CG2 3.95Å; F363-V407 HydrophobicContact CG-CG2 4.15Å; E396-V407 HydrophobicContact CB-CG2 3.96Å; E396-V407 PolarHBondContact N-O 3.41Å; E396-V407 PolarHBondContact O-N 2.9Å
408Y95.8Very high93.7Very high75 Ų7529.1 Ų29.129%0.29416%0.156SC..EExtended strand (participates in β ladder)trans-132.4132.9-177.1-62.9-92.3000110S392 K394 P395 N410 S411S392-Y408 VanDerWaalsContact O-CD1 3.3Å; S392-Y408 WeakPolarHBondContact O-CD1 3.27Å; K394-Y408 WeakPolarHBondContact O-CD1 3.47Å; P395-Y408 HydrophobicContact CB-CE1 3.96Å; Y408-N410 PolarHBondContact O-N 3.28Å; Y408-S411 VanDerWaalsContact O-CB 3.28Å; Y408-S411 WeakPolarHBondContact O-CB 3.49Å; Y408-S411 PolarHBondContact O-N 3.01Å
409C96.2Very high94.1Very high8 Ų831.3 Ų31.35%0.05417%0.166CC..THydrogen-bonded Turntrans-58.3140.1177.2-60.20000110.3E214 F363 S391 S392 S411E214-C409 HydrophobicContact CG-CB 3.87Å; E214-C409 PolarHBondContact OE2-SG 3.24Å; E214-C409 VanDerWaalsContact OE2-SG 3.4Å; F363-C409 HydrophobicContact CE1-CB 4.41Å; S391-C409 PolarHBondContact OG-O 2.89Å; S392-C409 WeakPolarHBondContact CB-O 3.39Å; S392-C409 PolarHBondContact N-O 2.97Å; C409-S411 PolarHBondContact O-N 3.3Å
410N97.8Very high94.3Very high1 Ų133.3 Ų33.31%0.00518%0.178CC..THydrogen-bonded Turntrans45.842.5-175.6-52-46.9000113.8S217 F330 H331 T361 N388 S391 Y408S217-N410 WeakPolarHBondContact OG-CB 3.23Å; S217-N410 PolarHBondContact OG-ND2 3.13Å; F330-N410 WeakPolarHBondContact CD1-OD1 3.26Å; H331-N410 PolarHBondContact CE1-N 3.03Å; H331-N410 PolarHBondContact NE2-N 3.18Å; H331-N410 PolarHBondContact NE2-OD1 3.17Å; T361-N410 WeakPolarHBondContact CB-OD1 3.49Å; T361-N410 HydrophobicContact CG2-CB 4.04Å; T361-N410 PolarHBondContact OG1-OD1 3.44Å; N388-N410 WeakPolarHBondContact CB-O 3.33Å; N388-N410 PolarHBondContact ND2-O 3.18Å; S391-N410 WeakPolarHBondContact CA-O 3.26Å; Y408-N410 PolarHBondContact O-N 3.28Å
411S98Very high94.2Very high22 Ų2236.3 Ų36.315%0.15420%0.197CC..  trans-68.6-40.7-177179.70000113.3M362 F363 N388 S391 Y408 C409M362-S411 PolarHBondContact O-N 3.13Å; F363-S411 WeakPolarHBondContact O-CB 3.35Å; N388-S411 PolarHBondContact N-O 2.93Å; S391-S411 VanDerWaalsContact OG-CA 3.26Å; S391-S411 WeakPolarHBondContact OG-CA 3.33Å; Y408-S411 VanDerWaalsContact O-CB 3.28Å; Y408-S411 WeakPolarHBondContact O-CB 3.49Å; Y408-S411 PolarHBondContact O-N 3.01Å; C409-S411 PolarHBondContact O-N 3.3Å
412H98.5Very high93.4Very high30 Ų3044 Ų4414%0.13923%0.23CC..EExtended strand (participates in β ladder)trans-127.7160.2-178-68.868.9000109.6T361 M362 D365 L368 G386T361-H412 CarbonylContact C-O 3.51Å; T361-H412 WeakPolarHBondContact CA-O 3.13Å; T361-H412 WeakPolarHBondContact CB-O 3.11Å; M362-H412 HydrophobicContact CB-CB 4.41Å; M362-H412 PolarHBondContact N-O 3.27Å; M362-H412 PolarHBondContact O-N 3.32Å; M362-H412 VanDerWaalsContact O-N 3.14Å; D365-H412 PolarHBondContact N-CE1 3.46Å; D365-H412 PolarHBondContact N-ND1 3.32Å; L368-H412 HydrophobicContact CB-CB 4.1Å; L368-H412 HydrophobicContact CD2-CB 4.04Å; G386-H412 CarbonylContact O-C 3.6Å; G386-H412 VanDerWaalsContact O-CA 3.3Å; G386-H412 WeakPolarHBondContact O-CA 3.48Å
413C98.4Very high92.1Very high1 Ų149.9 Ų49.91%0.00726%0.261CS..EExtended strand (participates in β ladder)trans-144161.9178.564.90000113.1R224 F359 F360 T361 S385 G386R224-C413 PolarHBondContact NH1-SG 2.89Å; F359-C413 HydrophobicContact CD1-CB 4.43Å; F359-C413 HydrophobicContact CE1-CB 3.45Å; F359-C413 VanDerWaalsContact CE1-CB 3.45Å; F359-C413 HydrophobicContact CE2-CB 4.41Å; F359-C413 HydrophobicContact CZ-CB 3.43Å; F359-C413 VanDerWaalsContact CZ-CB 3.43Å; F360-C413 CarbonylContact O-C 3.59Å; F360-C413 WeakPolarHBondContact O-CA 3.45Å; F360-C413 WeakPolarHBondContact O-CB 3.48Å; T361-C413 HydrophobicContact CG2-CB 4.37Å; S385-C413 CarbonylContact C-O 3.56Å; S385-C413 VanDerWaalsContact CA-O 3.26Å; S385-C413 WeakPolarHBondContact CA-O 3.17Å; G386-C413 PolarHBondContact N-O 3.14Å; G386-C413 PolarHBondContact O-N 2.5Å
414V98.6Very high90.2Very high0 Ų057.2 Ų57.20%029%0.294CS..EExtended strand (participates in β ladder)trans-135.2138.1169.257.90000109.5F359 F360 L368 L372 L375 I382 F416F359-V414 WeakPolarHBondContact CA-O 3.2Å; F360-V414 HydrophobicContact CB-CG1 3.91Å; F360-V414 PolarHBondContact N-O 3.4Å; F360-V414 PolarHBondContact O-N 2.85Å; L368-V414 HydrophobicContact CD1-CB 3.94Å; L368-V414 HydrophobicContact CD1-CG1 4.43Å; L372-V414 HydrophobicContact CD2-CB 4.32Å; L372-V414 HydrophobicContact CD2-CG2 3.62Å; L375-V414 HydrophobicContact CD1-CG1 3.97Å; L375-V414 HydrophobicContact CD1-CG2 4.15Å; I382-V414 HydrophobicContact CD1-CG2 4.01Å; I382-V414 HydrophobicContact CG2-CG2 4.02Å; V414-F416 HydrophobicContact CG1-CD1 4.41Å; V414-F416 HydrophobicContact CG2-CD1 4.33Å
415C98.3Very high88.1Confident1 Ų160.2 Ų60.21%0.00731%0.314CS..EExtended strand (participates in β ladder)trans-114.1126.5174.1-49.50000108.3Q228 F229 S358 F359 R383 D384Q228-C415 HydrophobicContact CG-CB 4.42Å; F229-C415 HydrophobicContact CZ-CB 4.23Å; S358-C415 WeakPolarHBondContact O-CA 3.36Å; F359-C415 HydrophobicContact CD2-CB 4.48Å; F359-C415 WeakPolarHBondContact CD2-SG 3.42Å; F359-C415 WeakPolarHBondContact CE2-SG 3.38Å; R383-C415 HydrophobicContact CB-CB 4.46Å; R383-C415 PolarHBondContact N-O 2.93Å; D384-C415 HydrophobicContact CB-CB 4.29Å; D384-C415 PolarHBondContact N-O 3.15Å; D384-C415 PolarHBondContact O-N 3.31Å
416F98.5Very high85.8Confident1 Ų165 Ų650%0.00433%0.328CS..EExtended strand (participates in β ladder)trans-144.5155.1179.462.8-85.6000110.8L351 S358 F360 L375 M380 H381 I382 V414L351-F416 HydrophobicContact CD1-CZ 4.4Å; S358-F416 PolarHBondContact N-O 3.12Å; S358-F416 PolarHBondContact O-N 3.48Å; F360-F416 HydrophobicContact CD1-CE1 4.34Å; F360-F416 AromaticContact CD2-CE1 3.64Å; F360-F416 HydrophobicContact CD2-CE1 3.64Å; F360-F416 AromaticContact CD2-CZ 3.91Å; F360-F416 HydrophobicContact CD2-CZ 3.91Å; F360-F416 HydrophobicContact CE1-CZ 4.33Å; F360-F416 AromaticContact CE2-CE1 3.87Å; F360-F416 HydrophobicContact CE2-CE1 3.87Å; F360-F416 AromaticContact CE2-CZ 3.61Å; F360-F416 HydrophobicContact CE2-CZ 3.61Å; F360-F416 AromaticContact CG-CE1 3.92Å; F360-F416 HydrophobicContact CG-CE1 3.92Å; F360-F416 HydrophobicContact CG-CZ 4.41Å; F360-F416 HydrophobicContact CZ-CE1 4.32Å; F360-F416 AromaticContact CZ-CZ 3.85Å; F360-F416 HydrophobicContact CZ-CZ 3.85Å; L375-F416 HydrophobicContact CD1-CD1 4.01Å; L375-F416 HydrophobicContact CD1-CE1 4.12Å; L375-F416 HydrophobicContact CD2-CE1 4.31Å; L375-F416 HydrophobicContact CD2-CE2 4.41Å; L375-F416 HydrophobicContact CD2-CZ 4.19Å; M380-F416 HydrophobicContact CB-CD2 4.37Å; M380-F416 HydrophobicContact CG-CD2 4.31Å; M380-F416 HydrophobicContact SD-CD2 3.69Å; M380-F416 HydrophobicContact SD-CE2 3.88Å; H381-F416 WeakPolarHBondContact O-CA 3.19Å; H381-F416 WeakPolarHBondContact O-CB 3.41Å; I382-F416 HydrophobicContact CD1-CB 3.77Å; V414-F416 HydrophobicContact CG1-CD1 4.41Å; V414-F416 HydrophobicContact CG2-CD1 4.33Å
417Q98.1Very high83.3Confident43 Ų4367.9 Ų67.920%0.20136%0.36CS..EExtended strand (participates in β ladder)trans-162.2116.4-179.4-178.1-179.92.100111F229 N355 P357 H381 R383F229-Q417 HydrophobicContact CE1-CB 4.21Å; N355-Q417 PolarHBondContact O-NE2 3.46Å; N355-Q417 WeakPolarHBondContact OD1-CG 3.5Å; P357-Q417 HydrophobicContact CG-CG 4.48Å; H381-Q417 WeakPolarHBondContact CB-O 3.39Å; H381-Q417 PolarHBondContact O-N 3.17Å; R383-Q417 VanDerWaalsContact NH1-OE1 3.09Å
418G96.7Very high80.4Confident3 Ų371.2 Ų71.23%0.03139%0.385CS..EExtended strand (participates in β ladder)trans77.5-174.5174.200000114.4R352 N355 H381R352-G418 WeakPolarHBondContact O-CA 3.26Å; N355-G418 WeakPolarHBondContact OD1-CA 3.47Å; N355-G418 PolarHBondContact OD1-N 3.4Å; H381-G418 PolarHBondContact N-O 3.14Å
419L95.9Very high78.2Confident97 Ų9772.7 Ų72.751%0.50840%0.404SS..EExtended strand (participates in β ladder)trans-71140.8176.8-78.7160.8000111.5R352 E379 H381R352-L419 HydrophobicContact CG-CD2 4.06Å; R352-L419 HydrophobicContact CG-CG 4.1Å; E379-L419 HydrophobicContact CB-CD2 4.24Å; E379-L419 CarbonylContact O-C 3.59Å; E379-L419 WeakPolarHBondContact O-CA 3.33Å; H381-L419 WeakPolarHBondContact CB-O 3.49Å
420L90.3Very high75.9Confident82 Ų8281.6 Ų81.643%0.42944%0.438SS..PPolyproline II helixtrans-55124.3171.7-173.868.8000109.5E379 Q422E379-L420 HydrophobicContact CB-CB 4.49Å; E379-L420 WeakPolarHBondContact O-CB 3.35Å; E379-L420 PolarHBondContact O-N 3.32Å; L420-Q422 PolarHBondContact O-N 2.95Å
421P84.4Confident73.2Confident69 Ų6989.2 Ų89.245%0.44848%0.479SS..PPolyproline II helixtrans-58.6130.7177.6-24.534.1000111.3D423P421-D423 PolarHBondContact O-N 3.13Å
422Q70.9Confident70.5Confident183 Ų18397.5 Ų97.586%0.85552%0.515SS*.  trans-80.254.1176-69.3-172.7-8.300112L420L420-Q422 PolarHBondContact O-N 2.95Å
423D59.3Low67.7Low134 Ų134106.6 Ų106.672%0.71757%0.572SS**  trans-105.586.7174.4-74.3-29.8000109.4P421P421-D423 PolarHBondContact O-N 3.13Å
424H48.2Very low66.1Low192 Ų192111.9 Ų111.989%0.88960%0.6SS**SBendtrans175.739.9150.7-81.4-38.3000114.2
425L46.8Very low64.4Low175 Ų175117.8 Ų117.892%0.91663%0.632SS**SBendtrans-132.520166.3-87.7172.8000114.6
426Q44.9Very low62.5Low200 Ų200124.3 Ų124.394%0.93567%0.667SS**SBendtrans-130.8105.8167-73.6-175.4200109.9
427G39.9Very low60.4Low74 Ų74131.5 Ų131.576%0.76371%0.706SS**  trans148.254.6169.900000116.2
428S33.7Very low58.1Low104 Ų104137.1 Ų137.173%0.72774%0.737SS**  trans-100.7107.8151177.80000107.7Y430S428-Y430 PolarHBondContact O-N 3.05Å
429P47.8Very low55.5Low106 Ų106146 Ų14669%0.68878%0.784SS**  trans-9574.9171.235.5-26.8000108.7
430Y47.9Very low52.6Low195 Ų195149.5 Ų149.577%0.76580%0.804SS**  trans-148.799.2162.6-75.6-74.5000107.6S428S428-Y430 PolarHBondContact O-N 3.05Å
431D42.2Very low49.7Very low162 Ų162154.7 Ų154.787%0.86683%0.833SS**  trans179.471.3136-85.2-14.7000109.4
432E40.9Very low46.8Very low195 Ų195161.8 Ų161.891%0.91187%0.865SS**  trans-140.9103.6145.1-79.3-166.9168.600106.8
433V39.1Very low44.6Very low222 Ų222159.9 Ų159.9100%1.34587%0.866SS**  trans-174.40132.7158.90000107.9

Retrieved 433 of 433 residues in 732 ms (Link to these results)

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