A0A090N7X8_HUMAN Loading...

Amiloride-sensitive cation channel 3

AlphaFold DB (Q9UHC3), UniProt , Accession A0A090N7X8, Species HUMAN (Homo sapiens, Human), Gene ACCN3, Length 531 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
1M45.5Very low42.7Very low250 Ų250159.8 Ų159.8100%1.23288%0.877SS**  0112.20-79.4160.5161.200107.8
2K42.4Very low43.8Very low204 Ų204161.9 Ų161.989%0.88786%0.862SS**PPolyproline II helixtrans-102.9122.9-178.3-153.2176.6-171.7-178.60106.5
3P48.4Very low45.1Very low127 Ų127155.8 Ų155.883%0.82584%0.837SS**PPolyproline II helixtrans-77.6132.4-179.129.7-29.2000110
4T40.8Very low46.1Very low139 Ų139148.6 Ų148.685%0.85381%0.81SS**PPolyproline II helixtrans-65.6139-179.324.80000113.1
5S43.2Very low47.4Very low118 Ų118140.9 Ų140.983%0.82577%0.771SS**PPolyproline II helixtrans-56.8137.1171.544.40000113.3
6G40.5Very low49.3Very low65 Ų65134.9 Ų134.967%0.6774%0.738SS**PPolyproline II helixtrans-72.9163.1172.200000113.3
7P42.6Very low51.2Low134 Ų134131.4 Ų131.487%0.8772%0.717SS**PPolyproline II helixtrans-74.6131.2-171.830-31.8000111.8E9P7-E9 PolarHBondContact O-N 3.32Å
8E37.9Very low52.8Low194 Ų194132 Ų13291%0.90771%0.707SS**PPolyproline II helixtrans-66.6122.2174.6-160.2173.1143.200110.1A10E8-A10 PolarHBondContact O-N 3.07Å; E8-A10 VanDerWaalsContact O-N 3.15Å
9E40.4Very low54.3Low187 Ų187127.7 Ų127.787%0.87469%0.686SS**  trans-68.1106.7-178.2-140.1167.5-167.800109.4P7 R11P7-E9 PolarHBondContact O-N 3.32Å; E9-R11 PolarHBondContact O-N 3.47Å
10A42.8Very low55.8Low94 Ų94123.1 Ų123.178%0.77766%0.659SS**  trans-58.8106.4-179.500000110.9E8 R12E8-A10 PolarHBondContact O-N 3.07Å; E8-A10 VanDerWaalsContact O-N 3.15Å; A10-R12 PolarHBondContact O-N 3.41Å; A10-R12 VanDerWaalsContact O-N 3.11Å
11R45.6Very low57.2Low246 Ų246117.3 Ų117.393%0.92863%0.629SS**  trans-53115.8171.1-89.4-179.5177.3179.2-1.2109.1E9E9-R11 PolarHBondContact O-N 3.47Å
12R55.9Low58.9Low185 Ų185109.1 Ų109.170%0.69860%0.596SS**  trans-59140.6172.8-68.6-178.1-1761644.9109.3A10 A14A10-R12 PolarHBondContact O-N 3.41Å; A10-R12 VanDerWaalsContact O-N 3.11Å; R12-A14 PolarHBondContact O-N 3.32Å
13P59.9Low60.8Low82 Ų82105.3 Ų105.353%0.53259%0.585SS.*  trans-60139.2-179.325.3-32.9000109.8S15 D16P13-S15 PolarHBondContact O-N 3.34Å; P13-D16 WeakPolarHBondContact O-CB 3.37Å; P13-D16 PolarHBondContact O-N 3.22Å
14A60Low62.5Low56 Ų5699.9 Ų99.946%0.46355%0.551SS.*THydrogen-bonded Turntrans-56.2-23.3178.500000112.5R12 D16 E462R12-A14 PolarHBondContact O-N 3.32Å; A14-D16 PolarHBondContact O-N 3.39Å; A14-E462 WeakPolarHBondContact CB-OE2 3.41Å
15S64.8Low64.6Low32 Ų3295.4 Ų95.422%0.22453%0.525CS..THydrogen-bonded Turntrans-69-5173.2450000115.6P13 I17 Y459 D466P13-S15 PolarHBondContact O-N 3.34Å; S15-I17 PolarHBondContact O-N 2.94Å; S15-Y459 PolarHBondContact O-OH 3.46Å; S15-Y459 VanDerWaalsContact O-OH 3.12Å; S15-D466 VanDerWaalsContact CB-OD2 3.25Å; S15-D466 WeakPolarHBondContact CB-OD2 3.33Å; S15-D466 PolarHBondContact OG-OD2 3.4Å
16D78.2Confident66.7Low45 Ų4591.4 Ų91.424%0.24149%0.494CS..  trans-67.8112.4172.3-172.2-7.5000110.7P13 A14 R18 V19 F20P13-D16 WeakPolarHBondContact O-CB 3.37Å; P13-D16 PolarHBondContact O-N 3.22Å; A14-D16 PolarHBondContact O-N 3.39Å; D16-R18 PolarHBondContact O-N 3.36Å; D16-R18 PolarHBondContact OD1-N 3.37Å; D16-V19 HydrophobicContact CB-CB 4.46Å; D16-V19 HydrophobicContact CB-CG2 4.01Å; D16-V19 WeakPolarHBondContact O-CB 3.49Å; D16-V19 PolarHBondContact O-N 3.04Å; D16-F20 PolarHBondContact O-N 3.17Å; D16-F20 VanDerWaalsContact O-N 3.13Å
17I81.8Confident69Low75 Ų7594.7 Ų94.739%0.38549%0.491SS..Hα-helixtrans-53.8-28.3179.7-166.9166.6000112.9S15 A21 F33 Y459S15-I17 PolarHBondContact O-N 2.94Å; I17-A21 WeakPolarHBondContact O-CB 3.48Å; I17-A21 PolarHBondContact O-N 2.96Å; I17-F33 HydrophobicContact CD1-CD1 4.45Å; I17-F33 HydrophobicContact CD1-CE1 3.8Å; I17-F33 HydrophobicContact CD1-CZ 3.9Å; I17-F33 HydrophobicContact CG1-CD1 4.39Å; I17-F33 HydrophobicContact CG1-CE1 4.22Å; I17-F33 HydrophobicContact CG1-CZ 4.48Å; I17-F33 HydrophobicContact CG2-CD1 4.44Å; I17-Y459 WeakPolarHBondContact CA-OH 3.35Å; I17-Y459 WeakPolarHBondContact CB-OH 3.43Å
18R80.5Confident71Confident143 Ų14388.9 Ų88.954%0.5446%0.455SS..Hα-helixtrans-70.6-35.6178-65.1-178.1179.7174.71.7112.3D16 S22D16-R18 PolarHBondContact O-N 3.36Å; D16-R18 PolarHBondContact OD1-N 3.37Å; R18-S22 PolarHBondContact O-N 3.46Å; R18-S22 VanDerWaalsContact O-N 3.15Å; R18-S22 PolarHBondContact O-OG 3.38Å
19V80.1Confident73.3Confident51 Ų5180.6 Ų80.631%0.30942%0.417SS..Hα-helixtrans-73-42.9177.4179.40000109.7D16 S22 N23D16-V19 HydrophobicContact CB-CB 4.46Å; D16-V19 HydrophobicContact CB-CG2 4.01Å; D16-V19 WeakPolarHBondContact O-CB 3.49Å; D16-V19 PolarHBondContact O-N 3.04Å; V19-S22 PolarHBondContact O-N 3.03Å; V19-S22 PolarHBondContact O-OG 3.26Å; V19-N23 PolarHBondContact O-N 3.47Å
20F85.3Confident75.4Confident34 Ų3473.3 Ų73.315%0.14939%0.392CS..Hα-helixtrans-61-50.6173.6176.1-103.3000111.2D16 S22 N23 C24 L29 I456 Y459D16-F20 PolarHBondContact O-N 3.17Å; D16-F20 VanDerWaalsContact O-N 3.13Å; F20-S22 PolarHBondContact O-N 3.02Å; F20-N23 CarbonylContact O-C 3.58Å; F20-N23 PolarHBondContact O-N 2.74Å; F20-C24 HydrophobicContact CD1-CB 4.45Å; F20-C24 HydrophobicContact CE1-CB 4.03Å; F20-C24 HydrophobicContact CE2-CB 4.35Å; F20-C24 HydrophobicContact CZ-CB 3.97Å; F20-C24 VanDerWaalsContact O-CB 3.3Å; F20-C24 WeakPolarHBondContact O-CB 3.44Å; F20-C24 PolarHBondContact O-N 2.87Å; F20-L29 HydrophobicContact CD1-CD2 4.38Å; F20-L29 HydrophobicContact CE1-CD2 4.12Å; F20-I456 HydrophobicContact CE1-CG1 4.45Å; F20-I456 HydrophobicContact CZ-CB 4.46Å; F20-I456 HydrophobicContact CZ-CG1 3.91Å; F20-Y459 HydrophobicContact CB-CD2 3.62Å; F20-Y459 HydrophobicContact CB-CE2 3.59Å; F20-Y459 HydrophobicContact CB-CG 4.2Å; F20-Y459 AromaticContact CD1-CD1 3.99Å; F20-Y459 HydrophobicContact CD1-CD1 3.99Å; F20-Y459 HydrophobicContact CD1-CD2 4.29Å; F20-Y459 HydrophobicContact CD1-CE1 4.25Å; F20-Y459 HydrophobicContact CD1-CG 4.02Å; F20-Y459 HydrophobicContact CD2-CD1 4.35Å; F20-Y459 AromaticContact CD2-CD2 3.63Å; F20-Y459 HydrophobicContact CD2-CD2 3.63Å; F20-Y459 HydrophobicContact CD2-CE2 4.45Å; F20-Y459 AromaticContact CD2-CG 3.56Å; F20-Y459 HydrophobicContact CD2-CG 3.56Å; F20-Y459 HydrophobicContact CE1-CD1 4.19Å; F20-Y459 HydrophobicContact CE1-CG 4.31Å; F20-Y459 VanDerWaalsContact CE2-CB 3.43Å; F20-Y459 HydrophobicContact CE2-CD2 4.4Å; F20-Y459 AromaticContact CE2-CG 3.89Å; F20-Y459 HydrophobicContact CE2-CG 3.89Å; F20-Y459 HydrophobicContact CG-CD1 4.08Å; F20-Y459 AromaticContact CG-CD2 3.56Å; F20-Y459 HydrophobicContact CG-CD2 3.56Å; F20-Y459 HydrophobicContact CG-CE1 4.42Å; F20-Y459 AromaticContact CG-CE2 3.95Å; F20-Y459 HydrophobicContact CG-CE2 3.95Å; F20-Y459 AromaticContact CG-CG 3.63Å; F20-Y459 HydrophobicContact CG-CG 3.63Å; F20-Y459 HydrophobicContact CZ-CD1 4.46Å; F20-Y459 HydrophobicContact CZ-CG 4.26Å
21A84.3Confident77.5Confident2 Ų273.7 Ų73.72%0.01738%0.378CS..Hα-helixtrans-63.3-27-177.600000114.2I17 L29 G30 F33I17-A21 WeakPolarHBondContact O-CB 3.48Å; I17-A21 PolarHBondContact O-N 2.96Å; A21-L29 HydrophobicContact CB-CD2 3.92Å; A21-L29 HydrophobicContact CB-CG 3.76Å; A21-G30 VanDerWaalsContact O-CA 3.3Å; A21-G30 WeakPolarHBondContact O-CA 3.03Å; A21-G30 PolarHBondContact O-N 3.38Å; A21-F33 HydrophobicContact CB-CB 3.45Å; A21-F33 VanDerWaalsContact CB-CB 3.45Å; A21-F33 HydrophobicContact CB-CD2 3.73Å; A21-F33 HydrophobicContact CB-CG 3.8Å
22S80.7Confident79.5Confident79 Ų7963.6 Ų63.655%0.55234%0.344SS*.Hα-helixtrans-77-25.5174.261.80000113.4R18 V19 F20R18-S22 PolarHBondContact O-N 3.46Å; R18-S22 VanDerWaalsContact O-N 3.15Å; R18-S22 PolarHBondContact O-OG 3.38Å; V19-S22 PolarHBondContact O-N 3.03Å; V19-S22 PolarHBondContact O-OG 3.26Å; F20-S22 PolarHBondContact O-N 3.02Å
23N82.9Confident80.8Confident123 Ų12358.1 Ų58.166%0.65833%0.325SS*.Hα-helixtrans-103.4-16.6-175.9-66.2-4.6000113.2V19 F20V19-N23 PolarHBondContact O-N 3.47Å; F20-N23 CarbonylContact O-C 3.58Å; F20-N23 PolarHBondContact O-N 2.74Å
24C84.9Confident81.6Confident14 Ų1455.1 Ų55.110%0.09531%0.308CS..  trans-65.6136.2-179.6-176.60000110.4F20 M26 L29F20-C24 HydrophobicContact CD1-CB 4.45Å; F20-C24 HydrophobicContact CE1-CB 4.03Å; F20-C24 HydrophobicContact CE2-CB 4.35Å; F20-C24 HydrophobicContact CZ-CB 3.97Å; F20-C24 VanDerWaalsContact O-CB 3.3Å; F20-C24 WeakPolarHBondContact O-CB 3.44Å; F20-C24 PolarHBondContact O-N 2.87Å; C24-M26 PolarHBondContact O-N 3.41Å; C24-M26 VanDerWaalsContact O-N 3.15Å; C24-M26 PolarHBondContact SG-N 2.79Å; C24-L29 HydrophobicContact CB-CD2 3.88Å
25S85.2Confident82.1Confident44 Ų4458.6 Ų58.631%0.30833%0.327SS..SBendtrans-67.3-7.9176.851.10000114.2H27 T452 E455S25-H27 PolarHBondContact O-N 3.49Å; S25-T452 VanDerWaalsContact OG-CB 3.27Å; S25-T452 WeakPolarHBondContact OG-CB 3.24Å; S25-T452 VanDerWaalsContact OG-CG2 3.27Å; S25-T452 WeakPolarHBondContact OG-CG2 3.44Å; S25-T452 PolarHBondContact OG-OG1 3.34Å; S25-E455 PolarHBondContact N-OE2 2.63Å; S25-E455 VanDerWaalsContact N-OE2 3.09Å; S25-E455 PolarHBondContact OG-OE2 2.86Å
26M87Confident82.4Confident35 Ų3559.8 Ų59.817%0.17234%0.343CS..SBendtrans-70.1122.8178.7-174.6163.284.100112.5C24 L29 I446 T452C24-M26 PolarHBondContact O-N 3.41Å; C24-M26 VanDerWaalsContact O-N 3.15Å; C24-M26 PolarHBondContact SG-N 2.79Å; M26-L29 HydrophobicContact CB-CB 4.37Å; M26-L29 HydrophobicContact CE-CB 3.82Å; M26-L29 HydrophobicContact CE-CD1 3.59Å; M26-L29 HydrophobicContact CE-CD2 3.93Å; M26-L29 HydrophobicContact CE-CG 3.95Å; M26-L29 PolarHBondContact O-N 3.4Å; M26-I446 HydrophobicContact CG-CG2 3.42Å; M26-I446 VanDerWaalsContact CG-CG2 3.42Å; M26-I446 HydrophobicContact SD-CG2 3.5Å; M26-I446 WeakPolarHBondContact SD-CG2 3.42Å; M26-T452 HydrophobicContact CB-CG2 4.04Å
27H87.7Confident82.2Confident134 Ų13462.3 Ų62.362%0.6237%0.365SS*.THydrogen-bonded Turntrans-64.8141.2179.6-67.1178.4000111.8S25 L29 I446S25-H27 PolarHBondContact O-N 3.49Å; H27-L29 PolarHBondContact O-N 3.22Å; H27-I446 WeakPolarHBondContact CB-O 3.14Å; H27-I446 PolarHBondContact N-O 2.89Å
28G86Confident82.1Confident11 Ų1167 Ų6711%0.11339%0.389CS..THydrogen-bonded Turntrans82.5-22.1178.900000115.1G30 H31 V32G28-G30 PolarHBondContact O-N 3.49Å; G28-H31 PolarHBondContact O-N 2.95Å; G28-H31 VanDerWaalsContact O-N 3.09Å; G28-V32 WeakPolarHBondContact O-CG2 3.23Å; G28-V32 PolarHBondContact O-N 3.15Å
29L85.8Confident82.2Confident21 Ų2162.3 Ų62.311%0.1138%0.379CS..Hα-helixtrans-62-43.4-177.4-167.666.2000112.1F20 A21 C24 M26 H27 H31 V32 F33F20-L29 HydrophobicContact CD1-CD2 4.38Å; F20-L29 HydrophobicContact CE1-CD2 4.12Å; A21-L29 HydrophobicContact CB-CD2 3.92Å; A21-L29 HydrophobicContact CB-CG 3.76Å; C24-L29 HydrophobicContact CB-CD2 3.88Å; M26-L29 HydrophobicContact CB-CB 4.37Å; M26-L29 HydrophobicContact CE-CB 3.82Å; M26-L29 HydrophobicContact CE-CD1 3.59Å; M26-L29 HydrophobicContact CE-CD2 3.93Å; M26-L29 HydrophobicContact CE-CG 3.95Å; M26-L29 PolarHBondContact O-N 3.4Å; H27-L29 PolarHBondContact O-N 3.22Å; L29-H31 VanDerWaalsContact C-N 3.27Å; L29-H31 PolarHBondContact O-N 3.14Å; L29-V32 PolarHBondContact O-N 2.93Å; L29-V32 VanDerWaalsContact O-N 3.15Å; L29-F33 HydrophobicContact CD1-CD2 3.55Å; L29-F33 HydrophobicContact CD1-CE2 3.41Å; L29-F33 VanDerWaalsContact CD1-CE2 3.41Å; L29-F33 HydrophobicContact CG-CD2 4.01Å; L29-F33 HydrophobicContact CG-CE2 4.34Å; L29-F33 PolarHBondContact O-N 3.41Å; L29-F33 VanDerWaalsContact O-N 3.07Å
30G84.6Confident82.5Confident34 Ų3466.8 Ų66.835%0.35140%0.4SS..Hα-helixtrans-62.4-29.5175.500000114A21 G28 G34A21-G30 VanDerWaalsContact O-CA 3.3Å; A21-G30 WeakPolarHBondContact O-CA 3.03Å; A21-G30 PolarHBondContact O-N 3.38Å; G28-G30 PolarHBondContact O-N 3.49Å; G30-G34 WeakPolarHBondContact O-CA 3.33Å; G30-G34 PolarHBondContact O-N 2.96Å; G30-G34 VanDerWaalsContact O-N 3.1Å
31H85.5Confident82.6Confident102 Ų10273 Ų7347%0.47242%0.423SS..Hα-helixtrans-76.3-28.6176.1-68.5-56.3000112.9G28 L29 W45G28-H31 PolarHBondContact O-N 2.95Å; G28-H31 VanDerWaalsContact O-N 3.09Å; L29-H31 VanDerWaalsContact C-N 3.27Å; L29-H31 PolarHBondContact O-N 3.14Å; H31-W45 HydrophobicContact CB-CB 4.13Å; H31-W45 HydrophobicContact CB-CD2 3.72Å; H31-W45 HydrophobicContact CB-CE3 4.31Å; H31-W45 HydrophobicContact CB-CG 3.62Å; H31-W45 AromaticContact CD2-CE2 3.74Å; H31-W45 AromaticContact CD2-CH2 3.81Å; H31-W45 AromaticContact CD2-CZ2 3.65Å; H31-W45 AromaticContact CG-CE2 3.82Å; H31-W45 AromaticContact CG-NE1 4Å; H31-W45 AromaticContact NE2-CZ2 3.98Å
32V87.5Confident82.8Confident34 Ų3475 Ų7521%0.20643%0.43CS..Hα-helixtrans-75.6-45.3176.4176.80000111.1G28 L29 W45 A46 V49G28-V32 WeakPolarHBondContact O-CG2 3.23Å; G28-V32 PolarHBondContact O-N 3.15Å; L29-V32 PolarHBondContact O-N 2.93Å; L29-V32 VanDerWaalsContact O-N 3.15Å; V32-W45 HydrophobicContact CG2-CB 4.16Å; V32-A46 HydrophobicContact CG1-CB 4.34Å; V32-A46 HydrophobicContact CG2-CB 4.24Å; V32-V49 HydrophobicContact CG2-CG2 4.22Å
33F84.4Confident83.2Confident70 Ų7073.4 Ų73.431%0.30743%0.425SS..Hα-helixtrans-100.39.1-173.4-69-79.2000115.4I17 A21 L29I17-F33 HydrophobicContact CD1-CD1 4.45Å; I17-F33 HydrophobicContact CD1-CE1 3.8Å; I17-F33 HydrophobicContact CD1-CZ 3.9Å; I17-F33 HydrophobicContact CG1-CD1 4.39Å; I17-F33 HydrophobicContact CG1-CE1 4.22Å; I17-F33 HydrophobicContact CG1-CZ 4.48Å; I17-F33 HydrophobicContact CG2-CD1 4.44Å; A21-F33 HydrophobicContact CB-CB 3.45Å; A21-F33 VanDerWaalsContact CB-CB 3.45Å; A21-F33 HydrophobicContact CB-CD2 3.73Å; A21-F33 HydrophobicContact CB-CG 3.8Å; L29-F33 HydrophobicContact CD1-CD2 3.55Å; L29-F33 HydrophobicContact CD1-CE2 3.41Å; L29-F33 VanDerWaalsContact CD1-CE2 3.41Å; L29-F33 HydrophobicContact CG-CD2 4.01Å; L29-F33 HydrophobicContact CG-CE2 4.34Å; L29-F33 PolarHBondContact O-N 3.41Å; L29-F33 VanDerWaalsContact O-N 3.07Å
34G76.2Confident83.6Confident18 Ų1873.1 Ų73.119%0.18642%0.422CS..  trans-57.9164179.700000114.5G30 R42G30-G34 WeakPolarHBondContact O-CA 3.33Å; G30-G34 PolarHBondContact O-N 2.96Å; G30-G34 VanDerWaalsContact O-N 3.1Å; G34-R42 PolarHBondContact O-NH1 3.3Å; G34-R42 PolarHBondContact O-NH2 2.96Å
35P71.5Confident83.9Confident130 Ų13077.3 Ų77.384%0.84444%0.436SS*.SBendtrans-68.5139.1177.926.6-33000112.2R42P35-R42 PolarHBondContact O-NH2 3.15Å
36G71Confident84.2Confident56 Ų5676.9 Ų76.958%0.57744%0.435SS*.SBendtrans126.7-179.9178.700000115.8R42G36-R42 VanDerWaalsContact O-CZ 3.31Å; G36-R42 PolarHBondContact O-NH1 3.21Å; G36-R42 PolarHBondContact O-NH2 3.5Å
37S73.3Confident84.5Confident98 Ų9878.2 Ų78.269%0.68545%0.451SS*.SBendtrans-75.4165-179.8580000113.5S39 R42S37-S39 PolarHBondContact O-N 3.25Å; S37-R42 PolarHBondContact O-NH1 3.11Å
38L79.4Confident84.8Confident173 Ų17373.9 Ų73.991%0.90644%0.439SS*.  trans-61108.4171.2-86.180.7000109.1
39S82.9Confident85.1Confident46 Ų4674.6 Ų74.632%0.32244%0.441SS..  trans-109.6153.2175.955.60000110.3S37 R41 R42 G43S37-S39 PolarHBondContact O-N 3.25Å; S39-R41 PolarHBondContact O-N 3.13Å; S39-R41 VanDerWaalsContact O-N 3.15Å; S39-R42 WeakPolarHBondContact O-CB 3.49Å; S39-R42 PolarHBondContact O-N 2.92Å; S39-R42 PolarHBondContact OG-N 2.87Å; S39-G43 PolarHBondContact O-N 3.17Å
40L86.6Confident85.5Confident145 Ų14578.5 Ų78.576%0.75947%0.465SS*.Hα-helixtrans-50.9-38.1172-176.969000111.4R42 G43 M44L40-R42 VanDerWaalsContact C-N 3.34Å; L40-R42 PolarHBondContact O-N 3.42Å; L40-G43 PolarHBondContact O-N 3.04Å; L40-G43 VanDerWaalsContact O-N 3.14Å; L40-M44 WeakPolarHBondContact O-CG 3.48Å; L40-M44 PolarHBondContact O-N 2.9Å
41R87.5Confident86Confident165 Ų16582.4 Ų82.462%0.62348%0.477SS*.Hα-helixtrans-56-43.1175.1-172.5177.970.2166.91.4112.8S39 M44 W45S39-R41 PolarHBondContact O-N 3.13Å; S39-R41 VanDerWaalsContact O-N 3.15Å; R41-M44 PolarHBondContact O-N 3.46Å; R41-W45 VanDerWaalsContact O-CD1 3.28Å; R41-W45 PolarHBondContact O-N 3.39Å
42R88.4Confident86.5Confident44 Ų4479.3 Ų79.317%0.16647%0.467CS..Hα-helixtrans-68.2-38.3176.3-74.2-168.8-174.1159.614.7112.3G34 P35 G36 S37 S39 L40 M44 W45 A46G34-R42 PolarHBondContact O-NH1 3.3Å; G34-R42 PolarHBondContact O-NH2 2.96Å; P35-R42 PolarHBondContact O-NH2 3.15Å; G36-R42 VanDerWaalsContact O-CZ 3.31Å; G36-R42 PolarHBondContact O-NH1 3.21Å; G36-R42 PolarHBondContact O-NH2 3.5Å; S37-R42 PolarHBondContact O-NH1 3.11Å; S39-R42 WeakPolarHBondContact O-CB 3.49Å; S39-R42 PolarHBondContact O-N 2.92Å; S39-R42 PolarHBondContact OG-N 2.87Å; L40-R42 VanDerWaalsContact C-N 3.34Å; L40-R42 PolarHBondContact O-N 3.42Å; R42-M44 VanDerWaalsContact C-N 3.32Å; R42-M44 PolarHBondContact O-N 3Å; R42-W45 PolarHBondContact O-N 3.34Å; R42-A46 VanDerWaalsContact O-CB 3.3Å; R42-A46 WeakPolarHBondContact O-CB 3.3Å; R42-A46 PolarHBondContact O-N 2.85Å
43G89.2Confident86.8Confident44 Ų4479.9 Ų79.945%0.45447%0.471SS..Hα-helixtrans-58.1-45.2173.500000111.8S39 L40 A46 A47S39-G43 PolarHBondContact O-N 3.17Å; L40-G43 PolarHBondContact O-N 3.04Å; L40-G43 VanDerWaalsContact O-N 3.14Å; G43-A46 PolarHBondContact O-N 3.07Å; G43-A47 WeakPolarHBondContact O-CB 3.39Å; G43-A47 PolarHBondContact O-N 3.1Å
44M91.6Very high87.3Confident118 Ų11879 Ų7958%0.58148%0.477SS*.Hα-helixtrans-64.1-44.7176.8-67.1-170.2-62.600112.7L40 R41 R42 A47 A48L40-M44 WeakPolarHBondContact O-CG 3.48Å; L40-M44 PolarHBondContact O-N 2.9Å; R41-M44 PolarHBondContact O-N 3.46Å; R42-M44 VanDerWaalsContact C-N 3.32Å; R42-M44 PolarHBondContact O-N 3Å; M44-A47 PolarHBondContact O-N 3.38Å; M44-A48 WeakPolarHBondContact O-CB 3.23Å; M44-A48 PolarHBondContact O-N 2.93Å
45W91.4Very high88.2Confident102 Ų10280.4 Ų80.439%0.38648%0.481SS..Hα-helixtrans-64.3-40.8175.6-84108.9000112.6H31 V32 R41 R42 A48 V49H31-W45 HydrophobicContact CB-CB 4.13Å; H31-W45 HydrophobicContact CB-CD2 3.72Å; H31-W45 HydrophobicContact CB-CE3 4.31Å; H31-W45 HydrophobicContact CB-CG 3.62Å; H31-W45 AromaticContact CD2-CE2 3.74Å; H31-W45 AromaticContact CD2-CH2 3.81Å; H31-W45 AromaticContact CD2-CZ2 3.65Å; H31-W45 AromaticContact CG-CE2 3.82Å; H31-W45 AromaticContact CG-NE1 4Å; H31-W45 AromaticContact NE2-CZ2 3.98Å; V32-W45 HydrophobicContact CG2-CB 4.16Å; R41-W45 VanDerWaalsContact O-CD1 3.28Å; R41-W45 PolarHBondContact O-N 3.39Å; R42-W45 PolarHBondContact O-N 3.34Å; W45-A48 PolarHBondContact O-N 3.45Å; W45-V49 WeakPolarHBondContact O-CB 3.41Å; W45-V49 VanDerWaalsContact O-CG2 3.31Å; W45-V49 WeakPolarHBondContact O-CG2 3.3Å; W45-V49 PolarHBondContact O-N 2.94Å
46A90.9Very high89.3Confident35 Ų3575.4 Ų75.429%0.28945%0.446SS..Hα-helixtrans-63-43.8176.300000111.3V32 R42 G43 V49 V50V32-A46 HydrophobicContact CG1-CB 4.34Å; V32-A46 HydrophobicContact CG2-CB 4.24Å; R42-A46 VanDerWaalsContact O-CB 3.3Å; R42-A46 WeakPolarHBondContact O-CB 3.3Å; R42-A46 PolarHBondContact O-N 2.85Å; G43-A46 PolarHBondContact O-N 3.07Å; A46-V49 PolarHBondContact O-N 2.88Å; A46-V50 WeakPolarHBondContact O-CB 3.47Å; A46-V50 VanDerWaalsContact O-CG2 3.23Å; A46-V50 WeakPolarHBondContact O-CG2 3.41Å; A46-V50 PolarHBondContact O-N 3.33Å
47A93.5Very high90.5Very high62 Ų6277.6 Ų77.651%0.51245%0.445SS..Hα-helixtrans-62.3-43175.200000112G43 M44 V50 L51G43-A47 WeakPolarHBondContact O-CB 3.39Å; G43-A47 PolarHBondContact O-N 3.1Å; M44-A47 PolarHBondContact O-N 3.38Å; A47-V50 PolarHBondContact O-N 3.49Å; A47-L51 VanDerWaalsContact O-CB 3.3Å; A47-L51 WeakPolarHBondContact O-CB 3.31Å; A47-L51 PolarHBondContact O-N 3.19Å
48A93.9Very high91.6Very high44 Ų4480.5 Ų80.536%0.36444%0.441SS..Hα-helixtrans-63.2-47.1176.900000112.1M44 W45 V50 L51 S52M44-A48 WeakPolarHBondContact O-CB 3.23Å; M44-A48 PolarHBondContact O-N 2.93Å; W45-A48 PolarHBondContact O-N 3.45Å; A48-V50 PolarHBondContact O-N 3.47Å; A48-L51 PolarHBondContact O-N 2.86Å; A48-S52 WeakPolarHBondContact O-CB 3.49Å; A48-S52 PolarHBondContact O-N 2.87Å; A48-S52 PolarHBondContact O-OG 3.06Å
49V92.9Very high92.4Very high26 Ų2674.5 Ų74.516%0.15841%0.409CS..Hα-helixtrans-61.5-45.1177.2170.50000110.9V32 W45 A46 L51 S52 V53V32-V49 HydrophobicContact CG2-CG2 4.22Å; W45-V49 WeakPolarHBondContact O-CB 3.41Å; W45-V49 VanDerWaalsContact O-CG2 3.31Å; W45-V49 WeakPolarHBondContact O-CG2 3.3Å; W45-V49 PolarHBondContact O-N 2.94Å; A46-V49 PolarHBondContact O-N 2.88Å; V49-L51 PolarHBondContact O-N 2.88Å; V49-S52 PolarHBondContact O-N 3.48Å; V49-V53 HydrophobicContact CG1-CG2 4.37Å; V49-V53 WeakPolarHBondContact O-CB 3.47Å; V49-V53 VanDerWaalsContact O-CG2 3.27Å; V49-V53 WeakPolarHBondContact O-CG2 3.2Å; V49-V53 PolarHBondContact O-N 3.06Å
50V94Very high92.9Very high102 Ų10273.7 Ų73.762%0.61840%0.402SS*.Hα-helixtrans-62.4-43.8177.5169.80000111.2A46 A47 A48 V53 A54A46-V50 WeakPolarHBondContact O-CB 3.47Å; A46-V50 VanDerWaalsContact O-CG2 3.23Å; A46-V50 WeakPolarHBondContact O-CG2 3.41Å; A46-V50 PolarHBondContact O-N 3.33Å; A47-V50 PolarHBondContact O-N 3.49Å; A48-V50 PolarHBondContact O-N 3.47Å; V50-V53 PolarHBondContact O-N 3.14Å; V50-A54 VanDerWaalsContact O-CB 3.27Å; V50-A54 WeakPolarHBondContact O-CB 3.43Å; V50-A54 PolarHBondContact O-N 2.85Å
51L95.6Very high93.4Very high116 Ų11669.7 Ų69.761%0.60739%0.39SS*.Hα-helixtrans-64.6-43.5178-178.461.9000111.8A47 A48 V49 A54 T55A47-L51 VanDerWaalsContact O-CB 3.3Å; A47-L51 WeakPolarHBondContact O-CB 3.31Å; A47-L51 PolarHBondContact O-N 3.19Å; A48-L51 PolarHBondContact O-N 2.86Å; V49-L51 PolarHBondContact O-N 2.88Å; L51-A54 PolarHBondContact O-N 2.73Å; L51-T55 WeakPolarHBondContact O-CB 3.19Å; L51-T55 PolarHBondContact O-N 3.4Å; L51-T55 PolarHBondContact O-OG1 3.43Å
52S94.7Very high93.8Very high37 Ų3765.6 Ų65.626%0.25938%0.378SS..Hα-helixtrans-61.4-46.8175.8-70.60000111.8A48 V49 T55 F56 F445A48-S52 WeakPolarHBondContact O-CB 3.49Å; A48-S52 PolarHBondContact O-N 2.87Å; A48-S52 PolarHBondContact O-OG 3.06Å; V49-S52 PolarHBondContact O-N 3.48Å; S52-T55 PolarHBondContact O-N 2.87Å; S52-F56 VanDerWaalsContact O-CB 3.31Å; S52-F56 WeakPolarHBondContact O-CB 3.42Å; S52-F56 PolarHBondContact O-N 3.47Å; S52-F445 VanDerWaalsContact CB-O 3.3Å; S52-F445 WeakPolarHBondContact CB-O 3.17Å
53V93.3Very high94.2Very high46 Ų4666.9 Ų66.928%0.27938%0.383SS..Hα-helixtrans-64.2-42.8177.2172.10000111.1V49 V50 T55 F56 L57 I446V49-V53 HydrophobicContact CG1-CG2 4.37Å; V49-V53 WeakPolarHBondContact O-CB 3.47Å; V49-V53 VanDerWaalsContact O-CG2 3.27Å; V49-V53 WeakPolarHBondContact O-CG2 3.2Å; V49-V53 PolarHBondContact O-N 3.06Å; V50-V53 PolarHBondContact O-N 3.14Å; V53-T55 PolarHBondContact O-N 2.84Å; V53-F56 PolarHBondContact O-N 3.2Å; V53-L57 HydrophobicContact CG1-CD1 3.94Å; V53-L57 HydrophobicContact CG1-CG 4.34Å; V53-L57 WeakPolarHBondContact O-CB 3.25Å; V53-L57 VanDerWaalsContact O-CG 3.27Å; V53-L57 WeakPolarHBondContact O-CG 3.47Å; V53-L57 PolarHBondContact O-N 2.94Å; V53-I446 HydrophobicContact CG2-CD1 4.05Å; V53-I446 HydrophobicContact CG2-CG1 4.2Å
54A95.9Very high94.5Very high53 Ų5366.6 Ų66.644%0.43837%0.372SS..Hα-helixtrans-62.9-42.6177.600000112.1V50 L51 L57 Y58V50-A54 VanDerWaalsContact O-CB 3.27Å; V50-A54 WeakPolarHBondContact O-CB 3.43Å; V50-A54 PolarHBondContact O-N 2.85Å; L51-A54 PolarHBondContact O-N 2.73Å; A54-L57 PolarHBondContact O-N 3.12Å; A54-Y58 WeakPolarHBondContact O-CB 3.48Å; A54-Y58 PolarHBondContact O-N 2.93Å
55T95.3Very high94.7Very high46 Ų4669.3 Ų69.328%0.28238%0.376SS..Hα-helixtrans-66.4-43.5177.8-51.60000111.1L51 S52 V53 Y58 Q59 F445L51-T55 WeakPolarHBondContact O-CB 3.19Å; L51-T55 PolarHBondContact O-N 3.4Å; L51-T55 PolarHBondContact O-OG1 3.43Å; S52-T55 PolarHBondContact O-N 2.87Å; V53-T55 PolarHBondContact O-N 2.84Å; T55-Y58 PolarHBondContact O-N 3.04Å; T55-Q59 HydrophobicContact CG2-CG 4.49Å; T55-Q59 WeakPolarHBondContact O-CB 3.22Å; T55-Q59 VanDerWaalsContact O-CG 3.3Å; T55-Q59 WeakPolarHBondContact O-CG 3.47Å; T55-Q59 PolarHBondContact O-N 3.05Å; T55-F445 HydrophobicContact CG2-CD1 4.46Å; T55-F445 HydrophobicContact CG2-CE1 3.65Å; T55-F445 HydrophobicContact CG2-CE2 4.04Å; T55-F445 HydrophobicContact CG2-CZ 3.41Å; T55-F445 VanDerWaalsContact CG2-CZ 3.41Å
56F94.9Very high94.9Very high25 Ų2568.6 Ų68.611%0.1137%0.373CS..Hα-helixtrans-57.3-51173.9167.2-108.7000111.8S52 V53 Y58 Q59 V60 Q441 M442 F445 I446S52-F56 VanDerWaalsContact O-CB 3.31Å; S52-F56 WeakPolarHBondContact O-CB 3.42Å; S52-F56 PolarHBondContact O-N 3.47Å; V53-F56 PolarHBondContact O-N 3.2Å; F56-Y58 VanDerWaalsContact C-N 3.31Å; F56-Y58 PolarHBondContact O-N 3.22Å; F56-Q59 PolarHBondContact O-N 3.46Å; F56-V60 HydrophobicContact CD2-CG2 3.87Å; F56-V60 HydrophobicContact CE1-CG2 4.27Å; F56-V60 HydrophobicContact CE2-CG2 3.4Å; F56-V60 HydrophobicContact CG-CG2 4.47Å; F56-V60 HydrophobicContact CZ-CG2 3.65Å; F56-V60 VanDerWaalsContact O-CG2 3.32Å; F56-V60 WeakPolarHBondContact O-CG2 3.3Å; F56-V60 PolarHBondContact O-N 3.22Å; F56-Q441 HydrophobicContact CD2-CB 4.02Å; F56-Q441 HydrophobicContact CE2-CB 4.28Å; F56-M442 HydrophobicContact CD2-CB 4.37Å; F56-M442 VanDerWaalsContact CE2-CA 3.43Å; F56-M442 HydrophobicContact CE2-CB 3.54Å; F56-M442 HydrophobicContact CE2-CG 4.27Å; F56-M442 HydrophobicContact CZ-CB 3.86Å; F56-M442 HydrophobicContact CZ-CG 4.13Å; F56-F445 HydrophobicContact CB-CB 3.98Å; F56-F445 HydrophobicContact CB-CD2 4.02Å; F56-F445 HydrophobicContact CB-CG 4.24Å; F56-I446 HydrophobicContact CB-CD1 4.14Å; F56-I446 HydrophobicContact CB-CG1 4.43Å; F56-I446 HydrophobicContact CD1-CD1 3.39Å; F56-I446 HydrophobicContact CD1-CG1 4.47Å; F56-I446 HydrophobicContact CE1-CD1 3.87Å; F56-I446 HydrophobicContact CG-CD1 3.77Å; F56-I446 HydrophobicContact CG-CG1 4.41Å
57L95.1Very high95.2Very high103 Ų10368.2 Ų68.254%0.53937%0.365SS..Hα-helixtrans-62.5-38.1179.8-70174.3000112.2V53 A54 A61V53-L57 HydrophobicContact CG1-CD1 3.94Å; V53-L57 HydrophobicContact CG1-CG 4.34Å; V53-L57 WeakPolarHBondContact O-CB 3.25Å; V53-L57 VanDerWaalsContact O-CG 3.27Å; V53-L57 WeakPolarHBondContact O-CG 3.47Å; V53-L57 PolarHBondContact O-N 2.94Å; A54-L57 PolarHBondContact O-N 3.12Å; L57-A61 WeakPolarHBondContact O-CB 3.3Å; L57-A61 PolarHBondContact O-N 3.13Å
58Y96.4Very high95.2Very high158 Ų15873.8 Ų73.862%0.6237%0.373SS*.Hα-helixtrans-62.1-49.9174.3177.6-91.3000111.7A54 T55 F56 V60 A61 E62A54-Y58 WeakPolarHBondContact O-CB 3.48Å; A54-Y58 PolarHBondContact O-N 2.93Å; T55-Y58 PolarHBondContact O-N 3.04Å; F56-Y58 VanDerWaalsContact C-N 3.31Å; F56-Y58 PolarHBondContact O-N 3.22Å; Y58-V60 PolarHBondContact O-N 2.85Å; Y58-A61 PolarHBondContact O-N 3.4Å; Y58-E62 PolarHBondContact O-N 3.15Å
59Q95.5Very high95.3Very high47 Ų4776.2 Ų76.222%0.2238%0.376CS..Hα-helixtrans-61.5-42.8178.8-72.2-75.312.100112T55 F56 E62 R63 F445T55-Q59 HydrophobicContact CG2-CG 4.49Å; T55-Q59 WeakPolarHBondContact O-CB 3.22Å; T55-Q59 VanDerWaalsContact O-CG 3.3Å; T55-Q59 WeakPolarHBondContact O-CG 3.47Å; T55-Q59 PolarHBondContact O-N 3.05Å; F56-Q59 PolarHBondContact O-N 3.46Å; Q59-E62 PolarHBondContact O-N 3.31Å; Q59-R63 WeakPolarHBondContact O-CG 3.45Å; Q59-R63 PolarHBondContact O-N 3.15Å; Q59-F445 HydrophobicContact CG-CE2 4.29Å
60V95.4Very high95.4Very high29 Ų2977.9 Ų77.918%0.17638%0.382CS..Hα-helixtrans-62.7-43.7175.7171.70000110.8F56 Y58 E62 R63 V64 I438F56-V60 HydrophobicContact CD2-CG2 3.87Å; F56-V60 HydrophobicContact CE1-CG2 4.27Å; F56-V60 HydrophobicContact CE2-CG2 3.4Å; F56-V60 HydrophobicContact CG-CG2 4.47Å; F56-V60 HydrophobicContact CZ-CG2 3.65Å; F56-V60 VanDerWaalsContact O-CG2 3.32Å; F56-V60 WeakPolarHBondContact O-CG2 3.3Å; F56-V60 PolarHBondContact O-N 3.22Å; Y58-V60 PolarHBondContact O-N 2.85Å; V60-E62 VanDerWaalsContact C-N 3.3Å; V60-E62 PolarHBondContact O-N 3.32Å; V60-R63 PolarHBondContact O-N 2.89Å; V60-V64 HydrophobicContact CG1-CG2 4.16Å; V60-V64 WeakPolarHBondContact O-CB 3.47Å; V60-V64 WeakPolarHBondContact O-CG2 3.09Å; V60-V64 PolarHBondContact O-N 3.3Å; V60-I438 HydrophobicContact CG1-CD1 4.37Å; V60-I438 HydrophobicContact CG1-CG1 4.32Å; V60-I438 HydrophobicContact CG2-CG1 4.33Å; V60-I438 HydrophobicContact CG2-CG2 4.37Å
61A96.3Very high95.4Very high61 Ų6176.5 Ų76.550%0.50437%0.368SS..Hα-helixtrans-61.1-39.9177.200000112L57 Y58 R65L57-A61 WeakPolarHBondContact O-CB 3.3Å; L57-A61 PolarHBondContact O-N 3.13Å; Y58-A61 PolarHBondContact O-N 3.4Å; A61-R65 WeakPolarHBondContact O-CB 3.39Å; A61-R65 PolarHBondContact O-N 3.27Å
62E96.5Very high95.4Very high79 Ų7974.6 Ų74.637%0.36936%0.356SS..Hα-helixtrans-63.6-49.5175.2-168.2-169146.400111.8Y58 Q59 V60 V64 R65 Y66Y58-E62 PolarHBondContact O-N 3.15Å; Q59-E62 PolarHBondContact O-N 3.31Å; V60-E62 VanDerWaalsContact C-N 3.3Å; V60-E62 PolarHBondContact O-N 3.32Å; E62-V64 PolarHBondContact O-N 3.41Å; E62-R65 WeakPolarHBondContact O-CB 3.41Å; E62-R65 PolarHBondContact O-N 2.91Å; E62-R65 VanDerWaalsContact O-N 3.16Å; E62-Y66 PolarHBondContact O-N 3.31Å
63R95.9Very high95.4Very high71 Ų7178.2 Ų78.227%0.26837%0.369SS..Hα-helixtrans-63.9-39.9179.3-64.8-68.4160.9-143.5-11.3112.3Q59 V60 R65 Y66 Y67 L434 D437Q59-R63 WeakPolarHBondContact O-CG 3.45Å; Q59-R63 PolarHBondContact O-N 3.15Å; V60-R63 PolarHBondContact O-N 2.89Å; R63-R65 VanDerWaalsContact C-N 3.34Å; R63-Y66 PolarHBondContact O-N 3.46Å; R63-Y67 WeakPolarHBondContact O-CB 3.27Å; R63-Y67 PolarHBondContact O-N 3.23Å; R63-L434 HydrophobicContact CB-CD1 4.1Å; R63-D437 HydrophobicContact CG-CB 4.49Å
64V95.8Very high95.6Very high38 Ų3879.9 Ų79.923%0.2338%0.379CS..Hα-helixtrans-65.9-37.4174.8171.40000111.2V60 E62 R68 L434 I438V60-V64 HydrophobicContact CG1-CG2 4.16Å; V60-V64 WeakPolarHBondContact O-CB 3.47Å; V60-V64 WeakPolarHBondContact O-CG2 3.09Å; V60-V64 PolarHBondContact O-N 3.3Å; E62-V64 PolarHBondContact O-N 3.41Å; V64-R68 VanDerWaalsContact O-CG 3.31Å; V64-R68 WeakPolarHBondContact O-CG 3.47Å; V64-R68 PolarHBondContact O-N 2.87Å; V64-R68 VanDerWaalsContact O-N 3.13Å; V64-L434 HydrophobicContact CG2-CD1 4.3Å; V64-I438 HydrophobicContact CG2-CD1 4.41Å
65R96.5Very high95.5Very high176 Ų17678.9 Ų78.966%0.66437%0.371SS*.Hα-helixtrans-64.4-50.5174.4-178.5-175.6176.3128.41.5110.9A61 E62 R63 Y67 R68 E69A61-R65 WeakPolarHBondContact O-CB 3.39Å; A61-R65 PolarHBondContact O-N 3.27Å; E62-R65 WeakPolarHBondContact O-CB 3.41Å; E62-R65 PolarHBondContact O-N 2.91Å; E62-R65 VanDerWaalsContact O-N 3.16Å; R63-R65 VanDerWaalsContact C-N 3.34Å; R65-Y67 VanDerWaalsContact C-N 3.28Å; R65-Y67 PolarHBondContact O-N 2.73Å; R65-R68 WeakPolarHBondContact O-CB 3.32Å; R65-R68 PolarHBondContact O-N 3.39Å; R65-E69 IonicContact NE-OE1 3.43Å; R65-E69 PolarHBondContact NE-OE1 3.49Å; R65-E69 PolarHBondContact O-N 2.86Å
66Y95.5Very high95.5Very high86 Ų8682.2 Ų82.234%0.33739%0.387SS..Hα-helixtrans-57.8-41.6178-174.9-101.8000111.8E62 R63 R68 E69 H71 Y429E62-Y66 PolarHBondContact O-N 3.31Å; R63-Y66 PolarHBondContact O-N 3.46Å; Y66-R68 VanDerWaalsContact C-N 3.32Å; Y66-R68 PolarHBondContact O-N 3.45Å; Y66-E69 WeakPolarHBondContact O-CB 3.35Å; Y66-E69 PolarHBondContact O-N 3.48Å; Y66-E69 VanDerWaalsContact O-N 3.15Å; Y66-H71 AromaticContact CD2-CD2 3.62Å; Y66-H71 AromaticContact CD2-NE2 3.85Å; Y66-H71 AromaticContact CE2-CD2 3.24Å; Y66-H71 WeakPolarHBondContact CE2-CD2 3.26Å; Y66-H71 AromaticContact CE2-NE2 3.63Å; Y66-H71 AromaticContact CZ-CD2 3.58Å; Y66-Y429 AromaticContact CD1-CD1 3.96Å; Y66-Y429 HydrophobicContact CD1-CD1 3.96Å; Y66-Y429 HydrophobicContact CD1-CE1 4.43Å; Y66-Y429 HydrophobicContact CD1-CG 4.06Å; Y66-Y429 HydrophobicContact CE1-CD1 4.41Å; Y66-Y429 HydrophobicContact CE1-CD2 4.46Å; Y66-Y429 HydrophobicContact CE1-CG 4.05Å
67Y95.5Very high95.5Very high28 Ų2884.6 Ų84.611%0.1140%0.401CS..Hα-helixtrans-59.2-40.4173.8-179.7-94000113R63 R65 E69 F70 Y429 M431 L434R63-Y67 WeakPolarHBondContact O-CB 3.27Å; R63-Y67 PolarHBondContact O-N 3.23Å; R65-Y67 VanDerWaalsContact C-N 3.28Å; R65-Y67 PolarHBondContact O-N 2.73Å; Y67-E69 PolarHBondContact O-N 2.91Å; Y67-F70 HydrophobicContact CE1-CE1 4.48Å; Y67-F70 PolarHBondContact O-N 2.9Å; Y67-Y429 AromaticContact CD2-CD1 3.76Å; Y67-Y429 HydrophobicContact CD2-CD1 3.76Å; Y67-Y429 HydrophobicContact CD2-CE1 4.26Å; Y67-Y429 HydrophobicContact CG-CD1 4.36Å; Y67-M431 HydrophobicContact CD2-SD 4.47Å; Y67-M431 HydrophobicContact CE1-CE 3.56Å; Y67-M431 HydrophobicContact CE1-SD 3.69Å; Y67-M431 HydrophobicContact CE2-CE 4.3Å; Y67-M431 HydrophobicContact CE2-CG 4.19Å; Y67-M431 HydrophobicContact CE2-SD 3.61Å; Y67-M431 WeakPolarHBondContact OH-CE 3.39Å; Y67-M431 PolarHBondContact OH-SD 2.89Å; Y67-L434 HydrophobicContact CD1-CD2 4.03Å; Y67-L434 HydrophobicContact CD2-CB 4.19Å; Y67-L434 HydrophobicContact CD2-CD2 4Å; Y67-L434 HydrophobicContact CG-CD2 3.76Å
68R95Very high95.4Very high178 Ų17885 Ų8567%0.67240%0.399SS*.Hα-helixtrans-73.8-10.4178.5-72.3176.3-176.6-1772.6114.2V64 R65 Y66 F70V64-R68 VanDerWaalsContact O-CG 3.31Å; V64-R68 WeakPolarHBondContact O-CG 3.47Å; V64-R68 PolarHBondContact O-N 2.87Å; V64-R68 VanDerWaalsContact O-N 3.13Å; R65-R68 WeakPolarHBondContact O-CB 3.32Å; R65-R68 PolarHBondContact O-N 3.39Å; Y66-R68 VanDerWaalsContact C-N 3.32Å; Y66-R68 PolarHBondContact O-N 3.45Å; R68-F70 VanDerWaalsContact C-N 3.29Å; R68-F70 WeakPolarHBondContact O-CD2 3.49Å; R68-F70 VanDerWaalsContact O-CE2 3.29Å; R68-F70 WeakPolarHBondContact O-CE2 3.48Å
69E95.4Very high95.1Very high95 Ų9582.7 Ų82.744%0.44439%0.39SS..THydrogen-bonded Turntrans-82.2-10.2172.8-68.3172.2-17500112R65 Y66 Y67 H71R65-E69 IonicContact NE-OE1 3.43Å; R65-E69 PolarHBondContact NE-OE1 3.49Å; R65-E69 PolarHBondContact O-N 2.86Å; Y66-E69 WeakPolarHBondContact O-CB 3.35Å; Y66-E69 PolarHBondContact O-N 3.48Å; Y66-E69 VanDerWaalsContact O-N 3.15Å; Y67-E69 PolarHBondContact O-N 2.91Å; E69-H71 VanDerWaalsContact C-N 3.33Å; E69-H71 WeakPolarHBondContact CB-NE2 3.3Å; E69-H71 PolarHBondContact O-N 3.16Å; E69-H71 IonicContact OE2-CD2 3.13Å; E69-H71 IonicContact OE2-CE1 3.76Å; E69-H71 IonicContact OE2-NE2 3.38Å; E69-H71 PolarHBondContact OE2-NE2 3.09Å
70F94.5Very high94.8Very high62 Ų6288.6 Ų88.627%0.27242%0.417SS..THydrogen-bonded Turntrans53.841174-59.8-77.9000114.7Y67 R68 P278 W279Y67-F70 HydrophobicContact CE1-CE1 4.48Å; Y67-F70 PolarHBondContact O-N 2.9Å; R68-F70 VanDerWaalsContact C-N 3.29Å; R68-F70 WeakPolarHBondContact O-CD2 3.49Å; R68-F70 VanDerWaalsContact O-CE2 3.29Å; R68-F70 WeakPolarHBondContact O-CE2 3.48Å; F70-P278 HydrophobicContact CD1-CB 4.21Å; F70-P278 HydrophobicContact CD1-CG 3.54Å; F70-P278 HydrophobicContact CD2-CB 3.89Å; F70-P278 HydrophobicContact CD2-CG 4.08Å; F70-P278 HydrophobicContact CE1-CB 4.35Å; F70-P278 HydrophobicContact CE1-CG 3.5Å; F70-P278 VanDerWaalsContact CE1-CG 3.5Å; F70-P278 HydrophobicContact CE2-CB 4.04Å; F70-P278 HydrophobicContact CE2-CG 4.05Å; F70-P278 HydrophobicContact CG-CB 3.97Å; F70-P278 HydrophobicContact CG-CG 3.84Å; F70-P278 HydrophobicContact CZ-CB 4.26Å; F70-P278 HydrophobicContact CZ-CG 3.76Å; F70-W279 HydrophobicContact CB-CG 4.39Å; F70-W279 HydrophobicContact CD1-CD2 4.48Å; F70-W279 AromaticContact CD1-CE2 3.96Å; F70-W279 HydrophobicContact CD1-CZ2 4.35Å; F70-W279 AromaticContact CD1-NE1 3.78Å
71H95.2Very high94.5Very high73 Ų7388.6 Ų88.634%0.33842%0.419SS..  trans-56.7143.7177.8-67.6-68.5000112.7Y66 E69 A428Y66-H71 AromaticContact CD2-CD2 3.62Å; Y66-H71 AromaticContact CD2-NE2 3.85Å; Y66-H71 AromaticContact CE2-CD2 3.24Å; Y66-H71 WeakPolarHBondContact CE2-CD2 3.26Å; Y66-H71 AromaticContact CE2-NE2 3.63Å; Y66-H71 AromaticContact CZ-CD2 3.58Å; E69-H71 VanDerWaalsContact C-N 3.33Å; E69-H71 WeakPolarHBondContact CB-NE2 3.3Å; E69-H71 PolarHBondContact O-N 3.16Å; E69-H71 IonicContact OE2-CD2 3.13Å; E69-H71 IonicContact OE2-CE1 3.76Å; E69-H71 IonicContact OE2-NE2 3.38Å; E69-H71 PolarHBondContact OE2-NE2 3.09Å; H71-A428 HydrophobicContact CB-CB 4.13Å; H71-A428 WeakPolarHBondContact O-CB 3.37Å; H71-A428 PolarHBondContact O-N 2.81Å
72H95Very high94.1Very high76 Ų7693.8 Ų93.835%0.35243%0.432SS..EExtended strand (participates in β ladder)trans-131.5158.4172.865.1-96.5000110L275 W279 Q425 K426H72-L275 HydrophobicContact CB-CD1 3.72Å; H72-W279 PolarHBondContact CE1-O 2.78Å; H72-W279 PolarHBondContact ND1-O 2.65Å; H72-Q425 PolarHBondContact NE2-NE2 3.18Å; H72-K426 CarbonylContact C-O 3.53Å; H72-K426 VanDerWaalsContact CA-O 3.24Å; H72-K426 WeakPolarHBondContact CA-O 3.3Å; H72-K426 WeakPolarHBondContact CB-O 3.34Å
73Q94.8Very high93.9Very high113 Ų11396.6 Ų96.653%0.52844%0.439SS..EExtended strand (participates in β ladder)trans-125.7148.2177.860.6-172.7500109.4Q425 K426 A428Q73-Q425 WeakPolarHBondContact O-CA 3.44Å; Q73-K426 HydrophobicContact CG-CB 4.23Å; Q73-K426 PolarHBondContact N-O 3.1Å; Q73-K426 PolarHBondContact O-N 2.9Å; Q73-A428 HydrophobicContact CB-CB 4.33Å; Q73-A428 HydrophobicContact CG-CB 4.28Å
74T96.3Very high93.7Very high80 Ų8093.5 Ų93.549%0.49143%0.428SS..EExtended strand (participates in β ladder)trans-97.7122.5177.6-55.40000109.1L76 V423 E424T74-L76 HydrophobicContact CG2-CD2 4.26Å; T74-V423 HydrophobicContact CG2-CG1 3.75Å; T74-E424 CarbonylContact C-O 3.51Å; T74-E424 WeakPolarHBondContact CA-O 3.27Å
75A95.2Very high93.7Very high32 Ų3295.4 Ų95.426%0.26444%0.436SS..EExtended strand (participates in β ladder)trans-95.8124.9171.100000108.9E424 K426A75-E424 PolarHBondContact N-O 3.42Å; A75-E424 PolarHBondContact O-N 2.89Å; A75-K426 HydrophobicContact CB-CD 4.24Å
76L95Very high93.7Very high117 Ų11787 Ų8761%0.61341%0.405SS*.EExtended strand (participates in β ladder)trans-107.4125.8172.3-61.2173.5000107.5T74 T422 V423T74-L76 HydrophobicContact CG2-CD2 4.26Å; L76-T422 WeakPolarHBondContact CA-O 3.46Å; L76-V423 HydrophobicContact CD2-CB 4.03Å; L76-V423 HydrophobicContact CD2-CG1 3.74Å; L76-V423 HydrophobicContact CD2-CG2 3.62Å
77D94.1Very high93.8Very high75 Ų7583 Ų8340%0.40139%0.389SS..EExtended strand (participates in β ladder)trans-143.4135.2179.4179.437.4000109.1R79 T422D77-R79 IonicContact OD2-CZ 3.68Å; D77-R79 IonicContact OD2-NE 3.86Å; D77-R79 PolarHBondContact OD2-NE 3.44Å; D77-R79 IonicContact OD2-NH2 3.82Å; D77-T422 WeakPolarHBondContact CB-OG1 3.31Å; D77-T422 PolarHBondContact N-O 2.79Å; D77-T422 PolarHBondContact O-N 2.93Å; D77-T422 PolarHBondContact O-OG1 2.89Å
78E92.9Very high93.9Very high110 Ų11081.7 Ų81.751%0.51438%0.384SS..EExtended strand (participates in β ladder)trans-107.3117.1-179.8-174171.1-15200108.6Q268 N419E78-Q268 PolarHBondContact OE1-NE2 2.79Å; E78-N419 HydrophobicContact CG-CB 4.02Å; E78-N419 VanDerWaalsContact OE1-CG 3.25Å; E78-N419 PolarHBondContact OE1-ND2 3.23Å
79R91.7Very high94Very high110 Ų11073.2 Ų73.242%0.41535%0.352SS..EExtended strand (participates in β ladder)trans-112.3128.1-172.7-66.4-174.1179.2175.65110.6D77 N419 Y420D77-R79 IonicContact OD2-CZ 3.68Å; D77-R79 IonicContact OD2-NE 3.86Å; D77-R79 PolarHBondContact OD2-NE 3.44Å; D77-R79 IonicContact OD2-NH2 3.82Å; R79-N419 CarbonylContact O-C 3.51Å; R79-N419 WeakPolarHBondContact O-CA 3.47Å; R79-N419 WeakPolarHBondContact O-CB 3.27Å; R79-Y420 HydrophobicContact CB-CD1 4.18Å; R79-Y420 HydrophobicContact CB-CD2 4.43Å; R79-Y420 HydrophobicContact CB-CE1 3.62Å; R79-Y420 HydrophobicContact CB-CE2 3.93Å; R79-Y420 VanDerWaalsContact CB-CZ 3.47Å; R79-Y420 VanDerWaalsContact CD-OH 3.27Å; R79-Y420 WeakPolarHBondContact CD-OH 3.5Å; R79-Y420 HydrophobicContact CG-CE2 4.42Å; R79-Y420 PolarHBondContact N-O 3.47Å; R79-Y420 WeakPolarHBondContact O-CD1 3.39Å; R79-Y420 PolarHBondContact O-N 3.35Å
80E89Confident94.2Very high172 Ų17268.7 Ų68.780%0.80433%0.331SS*.EExtended strand (participates in β ladder)trans-68.7139169.7-66-174.118000110.5
81S88.3Confident94.3Very high29 Ų2965.8 Ų65.820%0.20332%0.318CS..  trans-128138.5171.1-176.10000109.8R83 L418S81-R83 VanDerWaalsContact C-N 3.26Å; S81-R83 PolarHBondContact O-N 2.93Å; S81-R83 PolarHBondContact OG-N 3.09Å; S81-R83 PolarHBondContact OG-O 3.36Å; S81-L418 PolarHBondContact N-O 2.88Å; S81-L418 WeakPolarHBondContact O-CB 3.45Å
82H87.7Confident94.4Very high169 Ų16962.3 Ų62.378%0.78230%0.302SS*.SBendtrans-77.7-15.7173.4-60.6-57.1000113
83R92Very high94.5Very high138 Ų13859.1 Ų59.152%0.52129%0.287SS..  trans-150122.2-177.4-173.8178.7-176.1-169.7-4.4109.6S81 T200 T201S81-R83 VanDerWaalsContact C-N 3.26Å; S81-R83 PolarHBondContact O-N 2.93Å; S81-R83 PolarHBondContact OG-N 3.09Å; S81-R83 PolarHBondContact OG-O 3.36Å; R83-T200 HydrophobicContact CG-CG2 4.26Å; R83-T200 VanDerWaalsContact NE-CB 3.33Å; R83-T200 VanDerWaalsContact NE-CG2 3.33Å; R83-T200 PolarHBondContact NE-OG1 3.32Å; R83-T200 PolarHBondContact NH2-OG1 3.37Å; R83-T201 WeakPolarHBondContact CA-O 3.44Å
84L93.5Very high94.6Very high7 Ų754.5 Ų54.54%0.03727%0.266CS..EExtended strand (participates in β ladder)trans-111.8140.8173.6-67.4178.2000110.1F86 T200 T201 F415 L418 Y420L84-F86 PolarHBondContact O-N 2.89Å; L84-T200 CarbonylContact O-C 3.57Å; L84-T200 WeakPolarHBondContact O-CA 3.5Å; L84-T200 VanDerWaalsContact O-CB 3.28Å; L84-T200 WeakPolarHBondContact O-CB 3.41Å; L84-T201 HydrophobicContact CB-CG2 4.26Å; L84-T201 PolarHBondContact N-O 3.15Å; L84-T201 PolarHBondContact O-N 3.28Å; L84-F415 HydrophobicContact CB-CE2 4.19Å; L84-F415 HydrophobicContact CB-CZ 4.45Å; L84-F415 HydrophobicContact CD1-CD1 4.36Å; L84-F415 HydrophobicContact CD1-CG 4.37Å; L84-L418 HydrophobicContact CD1-CD2 4.28Å; L84-L418 HydrophobicContact CG-CD2 4.44Å; L84-Y420 HydrophobicContact CD2-CD1 4.11Å
85I94.8Very high94.5Very high77 Ų7751 Ų5140%0.39524%0.244SC..EExtended strand (participates in β ladder)trans-72.3126.2171.2-61.5173000107.3L198 T200I85-L198 HydrophobicContact CG2-CB 4.08Å; I85-L198 HydrophobicContact CG2-CD1 4.04Å; I85-T200 HydrophobicContact CG1-CG2 4.16Å
86F96.8Very high94.3Very high1 Ų151.2 Ų51.20%0.00424%0.243CC..PPolyproline II helixtrans-69.5140176.9-163.2-99.3000108.8L84 V89 F166 F189 N190 L199 L210 Q244 I413 F415L84-F86 PolarHBondContact O-N 2.89Å; F86-V89 HydrophobicContact CE1-CG2 3.98Å; F86-F166 HydrophobicContact CB-CE2 4.2Å; F86-F166 HydrophobicContact CB-CZ 4.08Å; F86-F166 AromaticContact CD1-CE2 3.84Å; F86-F166 HydrophobicContact CD1-CE2 3.84Å; F86-F166 HydrophobicContact CD1-CZ 4.49Å; F86-F166 AromaticContact CD2-CE2 3.78Å; F86-F166 HydrophobicContact CD2-CE2 3.78Å; F86-F166 HydrophobicContact CD2-CZ 4.32Å; F86-F166 HydrophobicContact CE1-CE2 4.14Å; F86-F166 HydrophobicContact CE2-CE2 4.09Å; F86-F166 AromaticContact CG-CE2 3.65Å; F86-F166 HydrophobicContact CG-CE2 3.65Å; F86-F166 HydrophobicContact CG-CZ 4.04Å; F86-F166 HydrophobicContact CZ-CE2 4.26Å; F86-F189 HydrophobicContact CD1-CD1 4.33Å; F86-F189 HydrophobicContact CD1-CE1 4.05Å; F86-F189 HydrophobicContact CE1-CD1 4.19Å; F86-F189 HydrophobicContact CE1-CE1 4.07Å; F86-N190 PolarHBondContact O-ND2 3.04Å; F86-L199 WeakPolarHBondContact CB-O 3.49Å; F86-L199 PolarHBondContact N-O 3.45Å; F86-L210 HydrophobicContact CE1-CB 3.92Å; F86-L210 HydrophobicContact CZ-CB 3.73Å; F86-Q244 PolarHBondContact O-NE2 3.45Å; F86-I413 HydrophobicContact CZ-CB 4.29Å; F86-I413 HydrophobicContact CZ-CG2 3.99Å; F86-I413 WeakPolarHBondContact CZ-O 3.3Å; F86-F415 HydrophobicContact CD2-CD2 4.38Å; F86-F415 HydrophobicContact CD2-CE2 4.03Å
87P97.1Very high94.3Very high0 Ų045.9 Ų45.90%022%0.215CC..PPolyproline II helixtrans-64.3167.1179.625.9-35000112.2N190 I241 Y375P87-N190 PolarHBondContact O-ND2 3.45Å; P87-I241 HydrophobicContact CB-CG2 3.54Å; P87-I241 HydrophobicContact CG-CG2 3.53Å; P87-Y375 HydrophobicContact CB-CD1 4.29Å; P87-Y375 HydrophobicContact CB-CD2 4.02Å; P87-Y375 HydrophobicContact CB-CE1 3.94Å; P87-Y375 HydrophobicContact CB-CE2 3.66Å; P87-Y375 HydrophobicContact CB-CG 4.32Å; P87-Y375 HydrophobicContact CG-CD1 4.43Å; P87-Y375 HydrophobicContact CG-CE1 4.26Å
88A97.6Very high94.3Very high1 Ų143.1 Ų43.11%0.00820%0.199CC..EExtended strand (participates in β ladder)trans-75.7134.6160.300000109.1T188 F189 H242 Q244A88-T188 HydrophobicContact CB-CG2 3.95Å; A88-F189 WeakPolarHBondContact CA-O 3.31Å; A88-H242 PolarHBondContact N-O 2.86Å; A88-H242 PolarHBondContact O-N 3.09Å; A88-H242 VanDerWaalsContact O-N 3.08Å; A88-Q244 HydrophobicContact CB-CG 4.25Å
89V98.1Very high94.3Very high0 Ų041.2 Ų41.20%019%0.187CC..EExtended strand (participates in β ladder)trans-117.1104.3177.2179.90000108.4F86 T188 F189 L210 V239 I413F86-V89 HydrophobicContact CE1-CG2 3.98Å; V89-T188 CarbonylContact O-C 3.5Å; V89-T188 WeakPolarHBondContact O-CA 3.3Å; V89-F189 HydrophobicContact CB-CB 4.25Å; V89-F189 PolarHBondContact N-O 3.47Å; V89-F189 PolarHBondContact O-N 2.8Å; V89-L210 HydrophobicContact CB-CD2 4.25Å; V89-L210 HydrophobicContact CG1-CD2 4.33Å; V89-L210 HydrophobicContact CG2-CD2 4.23Å; V89-V239 HydrophobicContact CG1-CG1 3.74Å; V89-I413 HydrophobicContact CB-CD1 4.22Å; V89-I413 HydrophobicContact CG1-CD1 3.39Å; V89-I413 HydrophobicContact CG2-CD1 3.74Å
90T98.3Very high94.4Very high0 Ų037.5 Ų37.50%018%0.178CC..EExtended strand (participates in β ladder)trans-94.4129175.5-610000110.1I179 C186 Y187 T188 V239 Q240 H242 P248 I250T90-I179 HydrophobicContact CG2-CG2 4.19Å; T90-C186 HydrophobicContact CG2-CB 4.43Å; T90-Y187 CarbonylContact C-O 3.6Å; T90-Y187 WeakPolarHBondContact CA-O 3.1Å; T90-T188 WeakPolarHBondContact OG1-CG2 3.48Å; T90-T188 PolarHBondContact OG1-OG1 3.21Å; T90-V239 CarbonylContact O-C 3.48Å; T90-V239 VanDerWaalsContact O-CA 3.29Å; T90-V239 WeakPolarHBondContact O-CA 3.34Å; T90-Q240 PolarHBondContact N-O 2.54Å; T90-Q240 PolarHBondContact O-N 3.02Å; T90-H242 PolarHBondContact OG1-NE2 2.79Å; T90-P248 HydrophobicContact CG2-CB 3.88Å; T90-P248 HydrophobicContact CG2-CG 3.95Å; T90-I250 HydrophobicContact CG2-CD1 4.3Å; T90-I250 WeakPolarHBondContact O-CD1 3.3Å
91L97.8Very high94.7Very high1 Ų135 Ų351%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-127.5146.1176.763.688.2000112L157 F176 C186 Y187 I212 L214 R238 V239L91-L157 HydrophobicContact CD1-CD1 4.44Å; L91-F176 HydrophobicContact CD2-CE1 3.95Å; L91-C186 WeakPolarHBondContact O-CA 3.42Å; L91-C186 WeakPolarHBondContact O-CB 3.05Å; L91-Y187 HydrophobicContact CD1-CD2 4.35Å; L91-Y187 PolarHBondContact N-O 3.35Å; L91-Y187 PolarHBondContact O-N 2.97Å; L91-I212 HydrophobicContact CD2-CD1 3.64Å; L91-L214 HydrophobicContact CD2-CD1 4.24Å; L91-R238 VanDerWaalsContact CA-O 3.29Å; L91-R238 WeakPolarHBondContact CA-O 3.38Å; L91-V239 HydrophobicContact CB-CG2 4.18Å
92C97.5Very high94.9Very high1 Ų133.9 Ų33.91%0.00715%0.154CC..EExtended strand (participates in β ladder)trans-139138.5177.2-53.70000110M183 C186 I237 R238 I250C92-M183 HydrophobicContact CB-CB 4.22Å; C92-M183 HydrophobicContact CB-CE 4.19Å; C92-M183 HydrophobicContact CB-SD 4.08Å; C92-C186 HydrophobicContact CB-CB 4.07Å; C92-C186 WeakPolarHBondContact CB-SG 3.39Å; C92-C186 WeakPolarHBondContact SG-CB 3.4Å; C92-C186 CovalentContact SG-SG 2.01Å; C92-C186 PolarHBondContact SG-SG 2.91Å; C92-I237 CarbonylContact O-C 3.53Å; C92-I237 WeakPolarHBondContact O-CA 3.45Å; C92-I237 VanDerWaalsContact O-CB 3.3Å; C92-I237 WeakPolarHBondContact O-CB 3.1Å; C92-R238 PolarHBondContact N-O 2.92Å; C92-R238 PolarHBondContact O-N 3.46Å; C92-I250 HydrophobicContact CB-CD1 4.14Å; C92-I250 VanDerWaalsContact SG-CD1 3.52Å; C92-I250 VanDerWaalsContact SG-CG2 3.54Å
93N97.1Very high95.1Very high8 Ų828.1 Ų28.14%0.04313%0.13CC..EExtended strand (participates in β ladder)trans-65.6138.8164.5-160.4-47.2000109N95 H155 M160 V216 Y221N93-N95 PolarHBondContact O-N 3.45Å; N93-N95 PolarHBondContact OD1-N 3.41Å; N93-H155 HydrophobicContact CB-CB 4.42Å; N93-H155 PolarHBondContact ND2-ND1 3.34Å; N93-M160 HydrophobicContact CB-CE 4.15Å; N93-M160 HydrophobicContact CB-SD 4.21Å; N93-V216 PolarHBondContact ND2-O 2.92Å; N93-Y221 WeakPolarHBondContact OD1-CE1 3.35Å; N93-Y221 PolarHBondContact OD1-OH 3.28Å
94I95.2Very high95.1Very high16 Ų1623.2 Ų23.28%0.08212%0.116CC..SBendtrans-62.7-31.9176.4-69.9176.3000110.9P96 M183 P232 E234 G236 R238I94-P96 WeakPolarHBondContact O-CD 3.34Å; I94-M183 HydrophobicContact CG1-CE 4.22Å; I94-P232 HydrophobicContact CG2-CB 3.57Å; I94-P232 HydrophobicContact CG2-CG 4.48Å; I94-E234 HydrophobicContact CD1-CB 3.76Å; I94-E234 HydrophobicContact CG2-CB 4.18Å; I94-E234 WeakPolarHBondContact CG2-O 3.19Å; I94-G236 WeakPolarHBondContact CG1-O 3.45Å; I94-G236 PolarHBondContact N-O 3.42Å; I94-G236 VanDerWaalsContact N-O 3.16Å; I94-R238 HydrophobicContact CG1-CG 4.28Å
95N94.2Very high95Very high6 Ų624.2 Ų24.23%0.03212%0.122CC..SBendtrans-78.5115.8173.6-179.853.5000110.9N93 L97 H155 E220 Y221 L222N93-N95 PolarHBondContact O-N 3.45Å; N93-N95 PolarHBondContact OD1-N 3.41Å; N95-L97 PolarHBondContact ND2-O 3.34Å; N95-L97 PolarHBondContact O-N 3.39Å; N95-L97 PolarHBondContact OD1-O 3.15Å; N95-H155 PolarHBondContact ND2-NE2 3.22Å; N95-H155 PolarHBondContact O-CD2 3.49Å; N95-E220 PolarHBondContact ND2-O 2.97Å; N95-Y221 HydrophobicContact CB-CD1 3.48Å; N95-Y221 VanDerWaalsContact CB-CD1 3.48Å; N95-Y221 HydrophobicContact CB-CD2 4.08Å; N95-Y221 HydrophobicContact CB-CE1 3.46Å; N95-Y221 VanDerWaalsContact CB-CE1 3.46Å; N95-Y221 HydrophobicContact CB-CE2 4.07Å; N95-Y221 HydrophobicContact CB-CG 3.8Å; N95-L222 PolarHBondContact OD1-N 2.97Å
96P92.3Very high95Very high37 Ų3720.8 Ų20.824%0.2410%0.104CC..SBendtrans-72.3-29-173.327.4-35000113.3I94 Y150 M183I94-P96 WeakPolarHBondContact O-CD 3.34Å; P96-Y150 HydrophobicContact CB-CE1 4.45Å; P96-M183 WeakPolarHBondContact CB-O 3.27Å
97L93.9Very high94.7Very high5 Ų520.9 Ų20.93%0.02610%0.104CC..SBendtrans-140.7133.6-173.4-56.3171.9000111.1N95 R99 L102 L114 L149 Y150 A153 L222N95-L97 PolarHBondContact ND2-O 3.34Å; N95-L97 PolarHBondContact O-N 3.39Å; N95-L97 PolarHBondContact OD1-O 3.15Å; L97-R99 PolarHBondContact O-N 3.4Å; L97-L102 HydrophobicContact CD1-CD2 4.16Å; L97-L114 HydrophobicContact CD1-CD1 4.25Å; L97-L149 HydrophobicContact CD1-CD2 4.43Å; L97-L149 HydrophobicContact CD2-CG 4.4Å; L97-Y150 HydrophobicContact CD2-CD1 3.79Å; L97-Y150 HydrophobicContact CD2-CE1 4.11Å; L97-Y150 HydrophobicContact CD2-CG 4.47Å; L97-A153 HydrophobicContact CB-CB 4.48Å; L97-A153 HydrophobicContact CD2-CB 3.91Å; L97-L222 HydrophobicContact CB-CD1 4.23Å; L97-L222 WeakPolarHBondContact O-CG 3.45Å
98R94.9Very high94.5Very high18 Ų1825 Ų257%0.06812%0.124CC..  trans-69.8126.7174.3-69.9-172.5-72.8-179.7-7.8111.4S100 R101 A153 G154 D159 E220R98-S100 VanDerWaalsContact C-N 3.25Å; R98-S100 PolarHBondContact O-N 2.98Å; R98-R101 HydrophobicContact CB-CB 4.22Å; R98-R101 HydrophobicContact CB-CG 3.97Å; R98-R101 PolarHBondContact O-N 2.89Å; R98-A153 WeakPolarHBondContact CB-O 3.32Å; R98-A153 PolarHBondContact N-O 2.84Å; R98-G154 PolarHBondContact NE-O 3.14Å; R98-G154 PolarHBondContact NH2-O 3.33Å; R98-D159 IonicContact CZ-OD2 3.9Å; R98-D159 IonicContact NH1-OD2 3.87Å; R98-D159 PolarHBondContact NH1-OD2 2.94Å; R98-E220 WeakPolarHBondContact CA-O 3.43Å; R98-E220 HydrophobicContact CB-CB 4.26Å; R98-E220 WeakPolarHBondContact CB-OE2 3.31Å; R98-E220 HydrophobicContact CG-CB 4.06Å; R98-E220 HydrophobicContact CG-CG 4.37Å
99R93.5Very high94.2Very high69 Ų6928.2 Ų28.226%0.2614%0.136SC..G310 helixtrans-48.3-44.8173.5159.3171.1179.4143.4-2.2112.7L97 R101 A128 L129 E220 L222L97-R99 PolarHBondContact O-N 3.4Å; R99-R101 PolarHBondContact O-N 3.17Å; R99-A128 PolarHBondContact NH1-O 2.89Å; R99-A128 PolarHBondContact NH2-O 2.88Å; R99-L129 HydrophobicContact CB-CD2 4.13Å; R99-L129 HydrophobicContact CG-CB 4.06Å; R99-L129 HydrophobicContact CG-CD2 3.7Å; R99-L129 HydrophobicContact CG-CG 4.4Å; R99-L129 VanDerWaalsContact NE-C 3.3Å; R99-L129 PolarHBondContact NE-O 2.95Å; R99-L129 VanDerWaalsContact NH2-CA 3.33Å; R99-L129 PolarHBondContact NH2-O 3.45Å; R99-L129 VanDerWaalsContact NH2-O 3.14Å; R99-E220 VanDerWaalsContact CB-O 3.31Å; R99-E220 WeakPolarHBondContact CB-O 3.48Å; R99-E220 PolarHBondContact N-O 3.05Å; R99-E220 PolarHBondContact N-OE2 2.95Å; R99-L222 HydrophobicContact CB-CD2 4.13Å
100S93.9Very high93.9Very high33 Ų3328.4 Ų28.423%0.23114%0.137CC..G310 helixtrans-70.8-18-178.573.60000112.9R98 R131 E220R98-S100 VanDerWaalsContact C-N 3.25Å; R98-S100 PolarHBondContact O-N 2.98Å; S100-R131 VanDerWaalsContact O-CZ 3.25Å; S100-R131 PolarHBondContact O-NE 2.97Å; S100-R131 PolarHBondContact O-NH2 3.28Å; S100-E220 WeakPolarHBondContact CB-OE1 3.35Å; S100-E220 WeakPolarHBondContact CB-OE2 3.43Å; S100-E220 PolarHBondContact N-OE2 2.72Å; S100-E220 PolarHBondContact OG-OE1 2.74Å; S100-E220 PolarHBondContact OG-OE2 2.88Å
101R94.3Very high93.5Very high118 Ų11828.4 Ų28.445%0.44514%0.137SC..G310 helixtrans-95.4-7.4-177.2-62.9-62.7-173.6154.62.3114R98 R99 R152 A153R98-R101 HydrophobicContact CB-CB 4.22Å; R98-R101 HydrophobicContact CB-CG 3.97Å; R98-R101 PolarHBondContact O-N 2.89Å; R99-R101 PolarHBondContact O-N 3.17Å; R101-R152 PolarHBondContact O-NH1 3.09Å; R101-A153 HydrophobicContact CB-CB 3.74Å
102L92.4Very high93.1Very high7 Ų730.2 Ų30.24%0.03715%0.15CC..  trans-75.6128.6175.3-71.1-179.2000111.8L97 D106 L115 F125 L129 L149 L222L97-L102 HydrophobicContact CD1-CD2 4.16Å; L102-D106 HydrophobicContact CD2-CB 4.29Å; L102-L115 HydrophobicContact CD1-CD1 4.42Å; L102-F125 HydrophobicContact CD1-CE1 4.36Å; L102-L129 HydrophobicContact CB-CD1 4.07Å; L102-L129 HydrophobicContact CD1-CD1 4.01Å; L102-L149 HydrophobicContact CD2-CD1 4.24Å; L102-L222 HydrophobicContact CD1-CD1 4.22Å; L102-L222 HydrophobicContact CD1-CD2 3.43Å; L102-L222 VanDerWaalsContact CD1-CD2 3.43Å; L102-L222 HydrophobicContact CD1-CG 4.5Å; L102-L222 HydrophobicContact CG-CD2 4.38Å
103T91.7Very high92.5Very high48 Ų4830.9 Ų30.929%0.29416%0.155SC..  trans-106.1162.2177.369.40000111.6N105 D106 L107T103-N105 PolarHBondContact O-N 3.29Å; T103-N105 PolarHBondContact OG1-N 2.87Å; T103-D106 WeakPolarHBondContact CB-OD2 3.36Å; T103-D106 PolarHBondContact N-OD2 3.28Å; T103-D106 PolarHBondContact O-N 3.06Å; T103-D106 PolarHBondContact OG1-N 2.86Å; T103-D106 PolarHBondContact OG1-OD2 3.26Å; T103-L107 PolarHBondContact O-N 2.69Å; T103-L107 VanDerWaalsContact O-N 3.14Å
104P91.9Very high91.9Very high35 Ų3532.1 Ų32.123%0.22716%0.162CC..Hα-helixtrans-56.2-31.1171.3-25.935000113.5H108 L126 A134 F138P104-H108 WeakPolarHBondContact O-CB 3.44Å; P104-H108 PolarHBondContact O-N 3.09Å; P104-L126 HydrophobicContact CB-CD1 4.17Å; P104-L126 HydrophobicContact CG-CD1 4.03Å; P104-L126 HydrophobicContact CG-CD2 4.45Å; P104-A134 HydrophobicContact CB-CB 3.97Å; P104-F138 HydrophobicContact CB-CE2 4.24Å; P104-F138 HydrophobicContact CB-CZ 4.19Å
105N92.7Very high91.4Very high28 Ų2833.1 Ų33.115%0.1517%0.167CC..Hα-helixtrans-67.1-42.1174.8-169.870.5000112.2T103 L107 H108 W109 F138 P140 S141T103-N105 PolarHBondContact O-N 3.29Å; T103-N105 PolarHBondContact OG1-N 2.87Å; N105-L107 PolarHBondContact O-N 3.47Å; N105-H108 PolarHBondContact O-N 3.06Å; N105-W109 VanDerWaalsContact O-CD1 3.24Å; N105-W109 PolarHBondContact O-N 2.96Å; N105-F138 HydrophobicContact CB-CZ 4.01Å; N105-P140 WeakPolarHBondContact OD1-CA 3.12Å; N105-S141 PolarHBondContact OD1-N 3.15Å
106D93.3Very high91Very high5 Ų533.6 Ų33.63%0.02717%0.173CC..Hα-helixtrans-63.8-43.2178.6-56.8-41.5000110.9L102 T103 W109 A110 F144 L149 R152L102-D106 HydrophobicContact CD2-CB 4.29Å; T103-D106 WeakPolarHBondContact CB-OD2 3.36Å; T103-D106 PolarHBondContact N-OD2 3.28Å; T103-D106 PolarHBondContact O-N 3.06Å; T103-D106 PolarHBondContact OG1-N 2.86Å; T103-D106 PolarHBondContact OG1-OD2 3.26Å; D106-W109 PolarHBondContact O-N 3.21Å; D106-A110 WeakPolarHBondContact O-CA 3.36Å; D106-A110 WeakPolarHBondContact O-CB 3.32Å; D106-A110 PolarHBondContact O-N 3.42Å; D106-F144 HydrophobicContact CB-CE2 4.39Å; D106-L149 HydrophobicContact CB-CD1 4Å; D106-R152 VanDerWaalsContact CG-NH2 3.33Å; D106-R152 IonicContact OD1-NH2 3.01Å; D106-R152 PolarHBondContact OD1-NH2 3.4Å; D106-R152 IonicContact OD2-CZ 3.5Å; D106-R152 IonicContact OD2-NH1 2.86Å; D106-R152 IonicContact OD2-NH2 3.92Å; D106-R152 PolarHBondContact OD2-NH2 3.36Å
107L91.7Very high90.8Very high2 Ų231.8 Ų31.81%0.0116%0.162CC..Hα-helixtrans-66.4-37.7176.2-68.3178.1000112.5T103 N105 W109 G111 L115 L117 H122 F125 L126T103-L107 PolarHBondContact O-N 2.69Å; T103-L107 VanDerWaalsContact O-N 3.14Å; N105-L107 PolarHBondContact O-N 3.47Å; L107-W109 VanDerWaalsContact C-N 3.32Å; L107-W109 PolarHBondContact O-N 2.89Å; L107-G111 VanDerWaalsContact O-CA 3.27Å; L107-G111 WeakPolarHBondContact O-CA 3.23Å; L107-G111 PolarHBondContact O-N 3.4Å; L107-L115 HydrophobicContact CD2-CD1 3.8Å; L107-L117 HydrophobicContact CD2-CD1 4.08Å; L107-H122 PolarHBondContact O-CE1 3.24Å; L107-H122 PolarHBondContact O-NE2 3.22Å; L107-F125 HydrophobicContact CD1-CD1 3.91Å; L107-F125 HydrophobicContact CD2-CD1 3.87Å; L107-F125 HydrophobicContact CD2-CE1 3.96Å; L107-L126 HydrophobicContact CD1-CD1 4.16Å; L107-L126 HydrophobicContact CD1-CD2 3.45Å; L107-L126 VanDerWaalsContact CD1-CD2 3.45Å; L107-L126 HydrophobicContact CD1-CG 3.45Å; L107-L126 VanDerWaalsContact CD1-CG 3.45Å
108H91.8Very high90.6Very high88 Ų8835 Ų3541%0.40718%0.179SC..Hα-helixtrans-56.7-46.4176.518082.3000112P104 N105 F138 P140P104-H108 WeakPolarHBondContact O-CB 3.44Å; P104-H108 PolarHBondContact O-N 3.09Å; N105-H108 PolarHBondContact O-N 3.06Å; H108-F138 HydrophobicContact CB-CE1 4.39Å; H108-P140 HydrophobicContact CB-CB 4.28Å; H108-P140 WeakPolarHBondContact CD2-CB 3.3Å; H108-P140 WeakPolarHBondContact NE2-CG 3.22Å
109W92.4Very high90.3Very high68 Ų6839 Ų3926%0.25821%0.207SC..Hα-helixtrans-86.1-43-176.1-69111.1000113.6N105 D106 L107 P140 S141 F144 P344N105-W109 VanDerWaalsContact O-CD1 3.24Å; N105-W109 PolarHBondContact O-N 2.96Å; D106-W109 PolarHBondContact O-N 3.21Å; L107-W109 VanDerWaalsContact C-N 3.32Å; L107-W109 PolarHBondContact O-N 2.89Å; W109-P140 HydrophobicContact CZ2-CB 4.31Å; W109-S141 PolarHBondContact NE1-O 3.35Å; W109-F144 HydrophobicContact CB-CB 4.15Å; W109-F144 HydrophobicContact CB-CD1 3.72Å; W109-F144 HydrophobicContact CB-CD2 3.7Å; W109-F144 HydrophobicContact CB-CE1 4.08Å; W109-F144 HydrophobicContact CB-CE2 4.04Å; W109-F144 HydrophobicContact CB-CG 3.54Å; W109-F144 HydrophobicContact CB-CZ 4.21Å; W109-F144 VanDerWaalsContact CD1-CB 3.41Å; W109-F144 AromaticContact CD1-CD2 3.73Å; W109-F144 AromaticContact CD1-CG 3.63Å; W109-F144 HydrophobicContact CD2-CB 4.18Å; W109-F144 HydrophobicContact CG-CB 3.66Å; W109-F144 HydrophobicContact CG-CD1 4.15Å; W109-F144 AromaticContact CG-CD2 3.96Å; W109-F144 HydrophobicContact CG-CD2 3.96Å; W109-F144 AromaticContact CG-CG 3.62Å; W109-F144 HydrophobicContact CG-CG 3.62Å; W109-P344 HydrophobicContact CB-CG 4.3Å; W109-P344 WeakPolarHBondContact O-CB 3.36Å; W109-P344 WeakPolarHBondContact O-CG 3.27Å
110A91.8Very high90.2Very high3 Ų340.3 Ų40.33%0.02523%0.233CC..Hα-helixtrans-110.7-10.2-169.800000114.6D106 S112 A113 L114 F144 M146 L149 P344D106-A110 WeakPolarHBondContact O-CA 3.36Å; D106-A110 WeakPolarHBondContact O-CB 3.32Å; D106-A110 PolarHBondContact O-N 3.42Å; A110-S112 VanDerWaalsContact C-N 3.33Å; A110-S112 PolarHBondContact O-N 2.69Å; A110-A113 PolarHBondContact O-N 2.96Å; A110-A113 VanDerWaalsContact O-N 3.07Å; A110-L114 HydrophobicContact CB-CD1 3.82Å; A110-L114 HydrophobicContact CB-CG 4.13Å; A110-L114 WeakPolarHBondContact O-CB 3.39Å; A110-L114 PolarHBondContact O-N 3.41Å; A110-F144 HydrophobicContact CB-CE1 4.39Å; A110-F144 HydrophobicContact CB-CE2 4.42Å; A110-F144 HydrophobicContact CB-CZ 3.74Å; A110-M146 HydrophobicContact CB-SD 4.38Å; A110-L149 HydrophobicContact CB-CD2 4.13Å; A110-P344 HydrophobicContact CB-CB 4.4Å; A110-P344 HydrophobicContact CB-CG 4.21Å
111G90.3Very high90.1Very high0 Ų040.8 Ų40.80%023%0.231CC..Hα-helixtrans-55.2-44.9-176.900000113.3L107 L115 G116 L117L107-G111 VanDerWaalsContact O-CA 3.27Å; L107-G111 WeakPolarHBondContact O-CA 3.23Å; L107-G111 PolarHBondContact O-N 3.4Å; G111-L115 CarbonylContact O-C 3.58Å; G111-L115 WeakPolarHBondContact O-CA 3.47Å; G111-L115 WeakPolarHBondContact O-CB 3.27Å; G111-L115 PolarHBondContact O-N 3.41Å; G111-G116 PolarHBondContact O-N 3.43Å; G111-G116 VanDerWaalsContact O-N 3.14Å; G111-L117 PolarHBondContact O-N 2.97Å
112S87.5Confident90Very high40 Ų4036.4 Ų36.428%0.2822%0.216SC..Hα-helixtrans-75.4-25.4178.6-166.30000114.3A110 L117 K348A110-S112 VanDerWaalsContact C-N 3.33Å; A110-S112 PolarHBondContact O-N 2.69Å; S112-L117 WeakPolarHBondContact CA-O 3.42Å; S112-L117 VanDerWaalsContact CB-O 3.26Å; S112-L117 WeakPolarHBondContact CB-O 3.34Å; S112-L117 PolarHBondContact N-O 3.26Å; S112-K348 PolarHBondContact O-NZ 2.01Å; S112-K348 PolarHBondContact OG-NZ 2.83Å
113A85.7Confident89.9Confident14 Ų1438.2 Ų38.212%0.11623%0.232CC..Hα-helixtrans-89.4-38.4-175.600000112.9A110 P344 K348A110-A113 PolarHBondContact O-N 2.96Å; A110-A113 VanDerWaalsContact O-N 3.07Å; A113-P344 HydrophobicContact CB-CB 3.86Å; A113-P344 WeakPolarHBondContact CB-O 3.5Å; A113-K348 HydrophobicContact CB-CB 4.2Å
114L84.5Confident89.9Confident34 Ų3437.2 Ų37.218%0.17823%0.229CC..Hα-helixtrans-99.6-33.9-177.4-66-178000113.5L97 A110 M146 L149L97-L114 HydrophobicContact CD1-CD1 4.25Å; A110-L114 HydrophobicContact CB-CD1 3.82Å; A110-L114 HydrophobicContact CB-CG 4.13Å; A110-L114 WeakPolarHBondContact O-CB 3.39Å; A110-L114 PolarHBondContact O-N 3.41Å; L114-M146 HydrophobicContact CD1-CE 3.94Å; L114-M146 HydrophobicContact CD1-SD 4.42Å; L114-M146 HydrophobicContact CD2-CE 3.82Å; L114-M146 HydrophobicContact CG-CE 4.14Å; L114-L149 HydrophobicContact CD1-CD2 3.8Å
115L85.7Confident89.9Confident37 Ų3735.7 Ų35.719%0.19422%0.218CC..SBendtrans-115.1-1.2-171.9-54.4176.9000112.7L102 L107 G111 L117 F125 L222L102-L115 HydrophobicContact CD1-CD1 4.42Å; L107-L115 HydrophobicContact CD2-CD1 3.8Å; G111-L115 CarbonylContact O-C 3.58Å; G111-L115 WeakPolarHBondContact O-CA 3.47Å; G111-L115 WeakPolarHBondContact O-CB 3.27Å; G111-L115 PolarHBondContact O-N 3.41Å; L115-L117 HydrophobicContact CB-CD1 3.84Å; L115-L117 HydrophobicContact CB-CG 3.77Å; L115-L117 HydrophobicContact CD1-CD1 3.88Å; L115-L117 PolarHBondContact O-N 2.95Å; L115-F125 HydrophobicContact CD1-CE1 3.71Å; L115-F125 HydrophobicContact CD1-CZ 3.8Å; L115-L222 HydrophobicContact CD1-CD1 4.49Å; L115-L222 HydrophobicContact CD2-CD1 3.62Å
116G85.3Confident89.8Confident16 Ų1634.6 Ų34.617%0.16521%0.212CC..  trans61.922.1-176.900000114.2G111 R226G111-G116 PolarHBondContact O-N 3.43Å; G111-G116 VanDerWaalsContact O-N 3.14Å; G116-R226 PolarHBondContact O-NH1 3.3Å
117L87.7Confident89.8Confident0 Ų042.4 Ų42.40%024%0.241CC..  trans-82.6136-177.9-62.5172.8000111.5L107 G111 S112 L115 F125 W225L107-L117 HydrophobicContact CD2-CD1 4.08Å; G111-L117 PolarHBondContact O-N 2.97Å; S112-L117 WeakPolarHBondContact CA-O 3.42Å; S112-L117 VanDerWaalsContact CB-O 3.26Å; S112-L117 WeakPolarHBondContact CB-O 3.34Å; S112-L117 PolarHBondContact N-O 3.26Å; L115-L117 HydrophobicContact CB-CD1 3.84Å; L115-L117 HydrophobicContact CB-CG 3.77Å; L115-L117 HydrophobicContact CD1-CD1 3.88Å; L115-L117 PolarHBondContact O-N 2.95Å; L117-F125 HydrophobicContact CD1-CB 3.98Å; L117-F125 HydrophobicContact CD1-CD1 3.61Å; L117-F125 HydrophobicContact CD1-CD2 3.73Å; L117-F125 HydrophobicContact CD1-CE1 3.94Å; L117-F125 HydrophobicContact CD1-CE2 4.06Å; L117-F125 HydrophobicContact CD1-CG 3.49Å; L117-F125 VanDerWaalsContact CD1-CG 3.49Å; L117-F125 HydrophobicContact CD1-CZ 4.17Å; L117-F125 HydrophobicContact CD2-CD2 3.87Å; L117-F125 HydrophobicContact CD2-CE2 4.37Å; L117-F125 HydrophobicContact CD2-CG 4.29Å; L117-F125 HydrophobicContact CG-CD2 4.44Å; L117-W225 HydrophobicContact CD2-CB 4.04Å; L117-W225 HydrophobicContact CD2-CD2 4.24Å; L117-W225 HydrophobicContact CD2-CG 3.55Å
118D89.9Confident89.7Confident73 Ų7344 Ų4439%0.3926%0.255SS..  trans-81149.4168.4-65.6-46.8000110.3A120 E121 H122 R226D118-A120 PolarHBondContact O-N 2.89Å; D118-E121 HydrophobicContact CB-CG 4.4Å; D118-E121 PolarHBondContact N-OE2 3.45Å; D118-E121 WeakPolarHBondContact O-CB 3.25Å; D118-E121 PolarHBondContact O-N 3.37Å; D118-H122 PolarHBondContact O-CD2 2.92Å; D118-H122 VanDerWaalsContact O-CD2 3.25Å; D118-R226 IonicContact OD2-CZ 2.91Å; D118-R226 IonicContact OD2-NH1 3.74Å; D118-R226 PolarHBondContact OD2-NH1 2.9Å; D118-R226 IonicContact OD2-NH2 3.69Å; D118-R226 PolarHBondContact OD2-NH2 2.97Å
119P89.1Confident89.6Confident101 Ų10140.2 Ų40.266%0.65624%0.238SC*.THydrogen-bonded Turntrans-53.8-30.6-179.5-2935.7000114.6E121 H122P119-E121 VanDerWaalsContact C-N 3.26Å; P119-E121 PolarHBondContact O-N 3.17Å; P119-H122 PolarHBondContact O-N 3.45Å
120A91.4Very high89.4Confident97 Ų9740 Ų4080%0.80226%0.257SS*.THydrogen-bonded Turntrans-67.1-25.6176.500000113.2D118D118-A120 PolarHBondContact O-N 2.89Å
121E91.3Very high89.2Confident43 Ų4345 Ų4520%0.20128%0.275CS..THydrogen-bonded Turntrans-87.5-16.4-178.1-61.6174.9120.600112.5D118 P119 A123 A124 F125 W225 R226D118-E121 HydrophobicContact CB-CG 4.4Å; D118-E121 PolarHBondContact N-OE2 3.45Å; D118-E121 WeakPolarHBondContact O-CB 3.25Å; D118-E121 PolarHBondContact O-N 3.37Å; P119-E121 VanDerWaalsContact C-N 3.26Å; P119-E121 PolarHBondContact O-N 3.17Å; E121-A123 VanDerWaalsContact C-N 3.26Å; E121-A123 PolarHBondContact O-N 3.03Å; E121-A123 VanDerWaalsContact O-N 3.14Å; E121-A124 WeakPolarHBondContact O-CA 3.45Å; E121-A124 WeakPolarHBondContact O-CB 3.49Å; E121-A124 PolarHBondContact O-N 3.22Å; E121-F125 PolarHBondContact O-N 3.14Å; E121-W225 PolarHBondContact OE1-NE1 2.79Å; E121-W225 VanDerWaalsContact OE1-NE1 3.09Å; E121-R226 IonicContact OE1-CZ 3.67Å; E121-R226 IonicContact OE1-NE 3.62Å; E121-R226 IonicContact OE1-NH2 3.63Å; E121-R226 PolarHBondContact OE1-NH2 2.95Å; E121-R226 IonicContact OE2-CZ 3.36Å; E121-R226 IonicContact OE2-NE 2.79Å; E121-R226 IonicContact OE2-NH2 2.86Å; E121-R226 PolarHBondContact OE2-NH2 3.35Å
122H90.9Very high89Confident26 Ų2649.5 Ų49.512%0.1230%0.304CS..Hα-helixtrans-53.8-40.9-174.6-69-177.6000113L107 D118 P119 F125 L126L107-H122 PolarHBondContact O-CE1 3.24Å; L107-H122 PolarHBondContact O-NE2 3.22Å; D118-H122 PolarHBondContact O-CD2 2.92Å; D118-H122 VanDerWaalsContact O-CD2 3.25Å; P119-H122 PolarHBondContact O-N 3.45Å; H122-F125 PolarHBondContact O-N 3.16Å; H122-L126 WeakPolarHBondContact O-CB 3.47Å; H122-L126 WeakPolarHBondContact O-CG 3.29Å; H122-L126 PolarHBondContact O-N 2.9Å
123A90.8Very high89Confident44 Ų4450.8 Ų50.836%0.36431%0.312SS..Hα-helixtrans-70.4-31.7178.700000113E121 R127 P133E121-A123 VanDerWaalsContact C-N 3.26Å; E121-A123 PolarHBondContact O-N 3.03Å; E121-A123 VanDerWaalsContact O-N 3.14Å; A123-R127 WeakPolarHBondContact O-CG 3.31Å; A123-R127 PolarHBondContact O-N 3.36Å; A123-R127 PolarHBondContact O-NE 2.81Å; A123-R127 VanDerWaalsContact O-NE 3.09Å; A123-P133 HydrophobicContact CB-CB 4.36Å
124A92.3Very high89.1Confident28 Ų2852.1 Ų52.123%0.23132%0.323CS..Hα-helixtrans-73.6-42.417400000110.7E121 R127 A128 W225E121-A124 WeakPolarHBondContact O-CA 3.45Å; E121-A124 WeakPolarHBondContact O-CB 3.49Å; E121-A124 PolarHBondContact O-N 3.22Å; A124-R127 WeakPolarHBondContact O-CB 3.34Å; A124-R127 PolarHBondContact O-N 3.48Å; A124-A128 PolarHBondContact O-N 3.22Å; A124-W225 HydrophobicContact CB-CH2 3.78Å; A124-W225 HydrophobicContact CB-CZ2 3.91Å
125F91.8Very high89.2Confident3 Ų354.3 Ų54.31%0.01334%0.339CS..Hα-helixtrans-62.4-47.2176.5-167.4-99.7000111.7L102 L107 L115 L117 E121 H122 R127 A128 L129 P223 W225L102-F125 HydrophobicContact CD1-CE1 4.36Å; L107-F125 HydrophobicContact CD1-CD1 3.91Å; L107-F125 HydrophobicContact CD2-CD1 3.87Å; L107-F125 HydrophobicContact CD2-CE1 3.96Å; L115-F125 HydrophobicContact CD1-CE1 3.71Å; L115-F125 HydrophobicContact CD1-CZ 3.8Å; L117-F125 HydrophobicContact CD1-CB 3.98Å; L117-F125 HydrophobicContact CD1-CD1 3.61Å; L117-F125 HydrophobicContact CD1-CD2 3.73Å; L117-F125 HydrophobicContact CD1-CE1 3.94Å; L117-F125 HydrophobicContact CD1-CE2 4.06Å; L117-F125 HydrophobicContact CD1-CG 3.49Å; L117-F125 VanDerWaalsContact CD1-CG 3.49Å; L117-F125 HydrophobicContact CD1-CZ 4.17Å; L117-F125 HydrophobicContact CD2-CD2 3.87Å; L117-F125 HydrophobicContact CD2-CE2 4.37Å; L117-F125 HydrophobicContact CD2-CG 4.29Å; L117-F125 HydrophobicContact CG-CD2 4.44Å; E121-F125 PolarHBondContact O-N 3.14Å; H122-F125 PolarHBondContact O-N 3.16Å; F125-R127 VanDerWaalsContact C-N 3.3Å; F125-R127 PolarHBondContact O-N 3.46Å; F125-A128 CarbonylContact O-C 3.52Å; F125-A128 WeakPolarHBondContact O-CA 3.25Å; F125-A128 WeakPolarHBondContact O-CB 3.46Å; F125-A128 PolarHBondContact O-N 3.13Å; F125-L129 HydrophobicContact CD1-CD1 3.83Å; F125-L129 HydrophobicContact CD1-CD2 4.43Å; F125-L129 HydrophobicContact CD1-CG 4Å; F125-L129 HydrophobicContact CE1-CD1 3.65Å; F125-L129 HydrophobicContact CE1-CD2 3.86Å; F125-L129 HydrophobicContact CE1-CG 3.87Å; F125-L129 HydrophobicContact CZ-CD2 4.07Å; F125-L129 WeakPolarHBondContact O-CG 3.18Å; F125-L129 PolarHBondContact O-N 3.44Å; F125-P223 HydrophobicContact CD2-CG 4.41Å; F125-P223 HydrophobicContact CE2-CG 3.75Å; F125-P223 HydrophobicContact CZ-CG 4.06Å; F125-W225 HydrophobicContact CD2-CB 4.19Å; F125-W225 AromaticContact CD2-CD2 3.8Å; F125-W225 HydrophobicContact CD2-CD2 3.8Å; F125-W225 AromaticContact CD2-CE3 3.68Å; F125-W225 HydrophobicContact CD2-CE3 3.68Å; F125-W225 HydrophobicContact CD2-CG 4.04Å; F125-W225 HydrophobicContact CD2-CZ3 4.32Å; F125-W225 HydrophobicContact CE2-CB 4.07Å; F125-W225 HydrophobicContact CE2-CD2 4.49Å; F125-W225 HydrophobicContact CE2-CE3 4.32Å; F125-W225 HydrophobicContact CE2-CG 4.41Å
126L91.4Very high89.2Confident4 Ų459.1 Ų59.12%0.02137%0.373CS..Hα-helixtrans-56.7-42.6175.2-77.4168.3000112.3P104 L107 H122 A128 L129 G130 R131P104-L126 HydrophobicContact CB-CD1 4.17Å; P104-L126 HydrophobicContact CG-CD1 4.03Å; P104-L126 HydrophobicContact CG-CD2 4.45Å; L107-L126 HydrophobicContact CD1-CD1 4.16Å; L107-L126 HydrophobicContact CD1-CD2 3.45Å; L107-L126 VanDerWaalsContact CD1-CD2 3.45Å; L107-L126 HydrophobicContact CD1-CG 3.45Å; L107-L126 VanDerWaalsContact CD1-CG 3.45Å; H122-L126 WeakPolarHBondContact O-CB 3.47Å; H122-L126 WeakPolarHBondContact O-CG 3.29Å; H122-L126 PolarHBondContact O-N 2.9Å; L126-A128 VanDerWaalsContact C-N 3.34Å; L126-L129 CarbonylContact O-C 3.51Å; L126-L129 WeakPolarHBondContact O-CA 3.46Å; L126-L129 WeakPolarHBondContact O-CB 3.29Å; L126-L129 PolarHBondContact O-N 3.43Å; L126-L129 VanDerWaalsContact O-N 3.1Å; L126-G130 PolarHBondContact O-N 2.86Å; L126-R131 CarbonylContact C-O 3.54Å; L126-R131 VanDerWaalsContact C-O 3.29Å; L126-R131 HydrophobicContact CB-CB 4.47Å; L126-R131 HydrophobicContact CD2-CB 3.97Å; L126-R131 PolarHBondContact O-N 2.83Å
127R91.9Very high89.3Confident169 Ų16961.8 Ų61.864%0.63840%0.4SS*.Hα-helixtrans-62.7-42.5174-75.5-178.2-71159.2-3.4111.6A123 A124 F125 L129 G130A123-R127 WeakPolarHBondContact O-CG 3.31Å; A123-R127 PolarHBondContact O-N 3.36Å; A123-R127 PolarHBondContact O-NE 2.81Å; A123-R127 VanDerWaalsContact O-NE 3.09Å; A124-R127 WeakPolarHBondContact O-CB 3.34Å; A124-R127 PolarHBondContact O-N 3.48Å; F125-R127 VanDerWaalsContact C-N 3.3Å; F125-R127 PolarHBondContact O-N 3.46Å; R127-L129 PolarHBondContact O-N 3.36Å; R127-G130 PolarHBondContact O-N 3.43Å
128A90.2Very high89.3Confident36 Ų3665.1 Ų65.130%0.29842%0.415SS..Hα-helixtrans-63.3-26.6174.600000112.4R99 A124 F125 L126 G130 P223 W225R99-A128 PolarHBondContact NH1-O 2.89Å; R99-A128 PolarHBondContact NH2-O 2.88Å; A124-A128 PolarHBondContact O-N 3.22Å; F125-A128 CarbonylContact O-C 3.52Å; F125-A128 WeakPolarHBondContact O-CA 3.25Å; F125-A128 WeakPolarHBondContact O-CB 3.46Å; F125-A128 PolarHBondContact O-N 3.13Å; L126-A128 VanDerWaalsContact C-N 3.34Å; A128-G130 VanDerWaalsContact C-N 3.33Å; A128-P223 HydrophobicContact CB-CG 4.47Å; A128-W225 HydrophobicContact CB-CZ3 3.78Å
129L89.5Confident89.2Confident8 Ų869.5 Ų69.54%0.04244%0.435CS..THydrogen-bonded Turntrans-78.7-7.1170.1-60.9-178.6000114R99 L102 F125 L126 R127 R131 L222 P223R99-L129 HydrophobicContact CB-CD2 4.13Å; R99-L129 HydrophobicContact CG-CB 4.06Å; R99-L129 HydrophobicContact CG-CD2 3.7Å; R99-L129 HydrophobicContact CG-CG 4.4Å; R99-L129 VanDerWaalsContact NE-C 3.3Å; R99-L129 PolarHBondContact NE-O 2.95Å; R99-L129 VanDerWaalsContact NH2-CA 3.33Å; R99-L129 PolarHBondContact NH2-O 3.45Å; R99-L129 VanDerWaalsContact NH2-O 3.14Å; L102-L129 HydrophobicContact CB-CD1 4.07Å; L102-L129 HydrophobicContact CD1-CD1 4.01Å; F125-L129 HydrophobicContact CD1-CD1 3.83Å; F125-L129 HydrophobicContact CD1-CD2 4.43Å; F125-L129 HydrophobicContact CD1-CG 4Å; F125-L129 HydrophobicContact CE1-CD1 3.65Å; F125-L129 HydrophobicContact CE1-CD2 3.86Å; F125-L129 HydrophobicContact CE1-CG 3.87Å; F125-L129 HydrophobicContact CZ-CD2 4.07Å; F125-L129 WeakPolarHBondContact O-CG 3.18Å; F125-L129 PolarHBondContact O-N 3.44Å; L126-L129 CarbonylContact O-C 3.51Å; L126-L129 WeakPolarHBondContact O-CA 3.46Å; L126-L129 WeakPolarHBondContact O-CB 3.29Å; L126-L129 PolarHBondContact O-N 3.43Å; L126-L129 VanDerWaalsContact O-N 3.1Å; R127-L129 PolarHBondContact O-N 3.36Å; L129-R131 VanDerWaalsContact C-N 3.26Å; L129-R131 HydrophobicContact CB-CB 4.48Å; L129-R131 HydrophobicContact CB-CG 4.24Å; L129-L222 HydrophobicContact CD2-CD2 4.2Å; L129-P223 HydrophobicContact CD2-CG 3.82Å
130G88.4Confident89.1Confident64 Ų6466.6 Ų66.666%0.6642%0.416SS*.THydrogen-bonded Turntrans7318.7-172.700000113.2L126 R127 A128L126-G130 PolarHBondContact O-N 2.86Å; R127-G130 PolarHBondContact O-N 3.43Å; A128-G130 VanDerWaalsContact C-N 3.33Å
131R87.7Confident88.9Confident107 Ų10764.1 Ų64.140%0.40439%0.393SS..PPolyproline II helixtrans-103144.2178.6-69.7-74.2179-166.7-6.6110.1S100 L126 L129S100-R131 VanDerWaalsContact O-CZ 3.25Å; S100-R131 PolarHBondContact O-NE 2.97Å; S100-R131 PolarHBondContact O-NH2 3.28Å; L126-R131 CarbonylContact C-O 3.54Å; L126-R131 VanDerWaalsContact C-O 3.29Å; L126-R131 HydrophobicContact CB-CB 4.47Å; L126-R131 HydrophobicContact CD2-CB 3.97Å; L126-R131 PolarHBondContact O-N 2.83Å; L129-R131 VanDerWaalsContact C-N 3.26Å; L129-R131 HydrophobicContact CB-CB 4.48Å; L129-R131 HydrophobicContact CB-CG 4.24Å
132P86.7Confident88.5Confident95 Ų9567.5 Ų67.562%0.61742%0.419SS*.PPolyproline II helixtrans-62.8147.2172.627.3-33.2000109.9
133P86.4Confident88.3Confident67 Ų6771.3 Ų71.344%0.43544%0.444SS..PPolyproline II helixtrans-61.1166171.229.1-34.9000110.5A123A123-P133 HydrophobicContact CB-CB 4.36Å
134A87.8Confident88.3Confident42 Ų4270.9 Ų70.935%0.34743%0.434SS..PPolyproline II helixtrans-53.7135.7174.900000110.7P104 F138P104-A134 HydrophobicContact CB-CB 3.97Å; A134-F138 HydrophobicContact CB-CB 3.8Å; A134-F138 HydrophobicContact CB-CD1 3.97Å; A134-F138 HydrophobicContact CB-CD2 4.42Å; A134-F138 HydrophobicContact CB-CG 3.8Å
135P88Confident88.3Confident80 Ų8072.8 Ų72.852%0.51944%0.44SS..PPolyproline II helixtrans-61.7152.3178.525.6-33.6000110.9G137 F138P135-G137 PolarHBondContact O-N 3.19Å; P135-F138 HydrophobicContact CG-CB 4.27Å; P135-F138 VanDerWaalsContact O-CB 3.22Å; P135-F138 WeakPolarHBondContact O-CB 2.85Å; P135-F138 PolarHBondContact O-N 3.23Å
136P85.5Confident88.3Confident139 Ų13972.7 Ų72.790%0.90344%0.44SS*.THydrogen-bonded Turntrans-53.8130.5172.2-23.933.6000110.8
137G85.8Confident88.4Confident72 Ų7273.8 Ų73.874%0.74245%0.449SS*.THydrogen-bonded Turntrans79.913.1-175.500000115P135 M139P135-G137 PolarHBondContact O-N 3.19Å; G137-M139 PolarHBondContact O-N 3.32Å
138F88Confident88.5Confident69 Ų6971.1 Ų71.130%0.30344%0.444SS..  trans-52.2120.4173.1173.2-103.4000111.7P104 N105 H108 A134 P135 P140P104-F138 HydrophobicContact CB-CE2 4.24Å; P104-F138 HydrophobicContact CB-CZ 4.19Å; N105-F138 HydrophobicContact CB-CZ 4.01Å; H108-F138 HydrophobicContact CB-CE1 4.39Å; A134-F138 HydrophobicContact CB-CB 3.8Å; A134-F138 HydrophobicContact CB-CD1 3.97Å; A134-F138 HydrophobicContact CB-CD2 4.42Å; A134-F138 HydrophobicContact CB-CG 3.8Å; P135-F138 HydrophobicContact CG-CB 4.27Å; P135-F138 VanDerWaalsContact O-CB 3.22Å; P135-F138 WeakPolarHBondContact O-CB 2.85Å; P135-F138 PolarHBondContact O-N 3.23Å; F138-P140 HydrophobicContact CE1-CB 4.07Å; F138-P140 HydrophobicContact CZ-CB 4.24Å
139M87.8Confident88.7Confident165 Ų16569.5 Ų69.581%0.81343%0.43SS*.  trans-108121.8170.4-66.5-175.6-176.500108.5G137G137-M139 PolarHBondContact O-N 3.32Å
140P87.1Confident89Confident41 Ų4170.5 Ų70.527%0.26643%0.434SS..  trans-65.6136.7177.829-35000110.1N105 H108 W109 F138N105-P140 WeakPolarHBondContact OD1-CA 3.12Å; H108-P140 HydrophobicContact CB-CB 4.28Å; H108-P140 WeakPolarHBondContact CD2-CB 3.3Å; H108-P140 WeakPolarHBondContact NE2-CG 3.22Å; W109-P140 HydrophobicContact CZ2-CB 4.31Å; F138-P140 HydrophobicContact CE1-CB 4.07Å; F138-P140 HydrophobicContact CZ-CB 4.24Å
141S87.4Confident89.4Confident45 Ų4569.3 Ų69.332%0.31542%0.418SS..  trans-66.5132.1174.2-177.70000109.4N105 W109 T143N105-S141 PolarHBondContact OD1-N 3.15Å; W109-S141 PolarHBondContact NE1-O 3.35Å; S141-T143 PolarHBondContact O-N 3.39Å; S141-T143 PolarHBondContact OG-N 3.46Å; S141-T143 PolarHBondContact OG-OG1 2.96Å
142P84Confident89.8Confident114 Ų11468.3 Ų68.374%0.7441%0.414SS*.SBendtrans-71.9-11.6176.230.7-35.4000113F144P142-F144 PolarHBondContact O-N 3.35Å; P142-F144 VanDerWaalsContact O-N 3.16Å
143T86.1Confident90.2Very high106 Ų10663.8 Ų63.865%0.6539%0.385SS*.  trans-85.931.6-176.266.70000113.2S141 D145S141-T143 PolarHBondContact O-N 3.39Å; S141-T143 PolarHBondContact OG-N 3.46Å; S141-T143 PolarHBondContact OG-OG1 2.96Å; T143-D145 PolarHBondContact O-N 3.48Å
144F90.2Very high90.7Very high34 Ų3460.7 Ų60.715%0.14937%0.365CS..  trans-73126.7-179.2178.3-85000110.9D106 W109 A110 P142 M146 L149 P344D106-F144 HydrophobicContact CB-CE2 4.39Å; W109-F144 HydrophobicContact CB-CB 4.15Å; W109-F144 HydrophobicContact CB-CD1 3.72Å; W109-F144 HydrophobicContact CB-CD2 3.7Å; W109-F144 HydrophobicContact CB-CE1 4.08Å; W109-F144 HydrophobicContact CB-CE2 4.04Å; W109-F144 HydrophobicContact CB-CG 3.54Å; W109-F144 HydrophobicContact CB-CZ 4.21Å; W109-F144 VanDerWaalsContact CD1-CB 3.41Å; W109-F144 AromaticContact CD1-CD2 3.73Å; W109-F144 AromaticContact CD1-CG 3.63Å; W109-F144 HydrophobicContact CD2-CB 4.18Å; W109-F144 HydrophobicContact CG-CB 3.66Å; W109-F144 HydrophobicContact CG-CD1 4.15Å; W109-F144 AromaticContact CG-CD2 3.96Å; W109-F144 HydrophobicContact CG-CD2 3.96Å; W109-F144 AromaticContact CG-CG 3.62Å; W109-F144 HydrophobicContact CG-CG 3.62Å; A110-F144 HydrophobicContact CB-CE1 4.39Å; A110-F144 HydrophobicContact CB-CE2 4.42Å; A110-F144 HydrophobicContact CB-CZ 3.74Å; P142-F144 PolarHBondContact O-N 3.35Å; P142-F144 VanDerWaalsContact O-N 3.16Å; F144-M146 HydrophobicContact CE1-CG 3.97Å; F144-M146 HydrophobicContact CE1-SD 3.65Å; F144-M146 HydrophobicContact CZ-SD 3.88Å; F144-L149 HydrophobicContact CE2-CB 4.43Å; F144-L149 HydrophobicContact CE2-CD2 4.23Å; F144-L149 HydrophobicContact CZ-CB 4.22Å; F144-L149 HydrophobicContact CZ-CD2 3.81Å; F144-P344 HydrophobicContact CD1-CG 3.79Å; F144-P344 HydrophobicContact CE1-CG 3.29Å; F144-P344 HydrophobicContact CZ-CG 4.15Å
145D92.1Very high91.1Very high69 Ų6958.9 Ų58.937%0.36935%0.349SS..  trans-127.5128.8175.8176.814.8000110.5T143 A147 Q148 L149T143-D145 PolarHBondContact O-N 3.48Å; D145-A147 VanDerWaalsContact C-N 3.33Å; D145-A147 PolarHBondContact O-N 3.26Å; D145-A147 PolarHBondContact OD1-N 2.94Å; D145-Q148 HydrophobicContact CB-CB 4.1Å; D145-Q148 PolarHBondContact O-N 3.44Å; D145-L149 PolarHBondContact O-N 3.22Å
146M92.5Very high91.6Very high1 Ų156.1 Ų56.11%0.00533%0.332CS..Hα-helixtrans-61.3-38.6176.9-76.3-63.7-74.200112.4A110 L114 F144 L149 Y150 V333 V341 C342 P344 Y347A110-M146 HydrophobicContact CB-SD 4.38Å; L114-M146 HydrophobicContact CD1-CE 3.94Å; L114-M146 HydrophobicContact CD1-SD 4.42Å; L114-M146 HydrophobicContact CD2-CE 3.82Å; L114-M146 HydrophobicContact CG-CE 4.14Å; F144-M146 HydrophobicContact CE1-CG 3.97Å; F144-M146 HydrophobicContact CE1-SD 3.65Å; F144-M146 HydrophobicContact CZ-SD 3.88Å; M146-L149 WeakPolarHBondContact O-CB 3.46Å; M146-L149 PolarHBondContact O-N 2.56Å; M146-L149 HydrophobicContact SD-CD2 4.48Å; M146-Y150 HydrophobicContact CE-CE2 3.81Å; M146-Y150 WeakPolarHBondContact O-CD2 3.39Å; M146-Y150 PolarHBondContact O-N 2.84Å; M146-Y150 VanDerWaalsContact O-N 3.1Å; M146-V333 HydrophobicContact CB-CG2 4.01Å; M146-V341 HydrophobicContact CB-CG1 3.87Å; M146-C342 WeakPolarHBondContact CG-O 3.43Å; M146-P344 HydrophobicContact CG-CG 4.18Å; M146-P344 HydrophobicContact SD-CG 3.8Å; M146-Y347 HydrophobicContact CB-CE2 4.43Å; M146-Y347 HydrophobicContact CE-CD1 4.22Å; M146-Y347 HydrophobicContact CE-CD2 4.23Å; M146-Y347 HydrophobicContact CE-CE1 3.99Å; M146-Y347 HydrophobicContact CE-CE2 4.01Å; M146-Y347 HydrophobicContact CE-CG 4.33Å; M146-Y347 HydrophobicContact CG-CD2 4.42Å; M146-Y347 HydrophobicContact CG-CE2 4.1Å
147A93.4Very high92.1Very high27 Ų2749.6 Ų49.622%0.22329%0.289CS..Hα-helixtrans-65.8-43.7178.900000111D145 L149 Y150 A151 V333 V341D145-A147 VanDerWaalsContact C-N 3.33Å; D145-A147 PolarHBondContact O-N 3.26Å; D145-A147 PolarHBondContact OD1-N 2.94Å; A147-L149 VanDerWaalsContact C-N 3.32Å; A147-L149 PolarHBondContact O-N 2.99Å; A147-Y150 PolarHBondContact O-N 3.45Å; A147-A151 VanDerWaalsContact O-CB 3.28Å; A147-A151 WeakPolarHBondContact O-CB 3.35Å; A147-A151 PolarHBondContact O-N 2.86Å; A147-V333 HydrophobicContact CB-CG1 4.4Å; A147-V333 HydrophobicContact CB-CG2 4.19Å; A147-V341 HydrophobicContact CB-CG2 4.36Å
148Q94.4Very high92.7Very high112 Ų11251.3 Ų51.352%0.52328%0.281SS..Hα-helixtrans-63-37.5175.1-164.5-175.921.600112.2D145 R152D145-Q148 HydrophobicContact CB-CB 4.1Å; D145-Q148 PolarHBondContact O-N 3.44Å; Q148-R152 VanDerWaalsContact O-CB 3.22Å; Q148-R152 WeakPolarHBondContact O-CB 3.24Å; Q148-R152 PolarHBondContact O-N 3.48Å
149L94.9Very high93Very high2 Ų251.5 Ų51.51%0.0129%0.286CS..Hα-helixtrans-59.1-56.5174.7174.962000111L97 L102 D106 A110 L114 F144 D145 M146 A147 A151 R152 A153L97-L149 HydrophobicContact CD1-CD2 4.43Å; L97-L149 HydrophobicContact CD2-CG 4.4Å; L102-L149 HydrophobicContact CD2-CD1 4.24Å; D106-L149 HydrophobicContact CB-CD1 4Å; A110-L149 HydrophobicContact CB-CD2 4.13Å; L114-L149 HydrophobicContact CD1-CD2 3.8Å; F144-L149 HydrophobicContact CE2-CB 4.43Å; F144-L149 HydrophobicContact CE2-CD2 4.23Å; F144-L149 HydrophobicContact CZ-CB 4.22Å; F144-L149 HydrophobicContact CZ-CD2 3.81Å; D145-L149 PolarHBondContact O-N 3.22Å; M146-L149 WeakPolarHBondContact O-CB 3.46Å; M146-L149 PolarHBondContact O-N 2.56Å; M146-L149 HydrophobicContact SD-CD2 4.48Å; A147-L149 VanDerWaalsContact C-N 3.32Å; A147-L149 PolarHBondContact O-N 2.99Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 3.33Å; L149-R152 PolarHBondContact O-N 2.87Å; L149-A153 HydrophobicContact CD1-CB 3.92Å; L149-A153 VanDerWaalsContact O-CB 3.27Å; L149-A153 WeakPolarHBondContact O-CB 3.48Å; L149-A153 PolarHBondContact O-N 3.47Å
150Y94.9Very high93.5Very high29 Ų2943.7 Ų43.711%0.11425%0.247CC..Hα-helixtrans-62.2-39.2179.7-79.8-73.8000112.4P96 L97 M146 A147 R152 G154 V333P96-Y150 HydrophobicContact CB-CE1 4.45Å; L97-Y150 HydrophobicContact CD2-CD1 3.79Å; L97-Y150 HydrophobicContact CD2-CE1 4.11Å; L97-Y150 HydrophobicContact CD2-CG 4.47Å; M146-Y150 HydrophobicContact CE-CE2 3.81Å; M146-Y150 WeakPolarHBondContact O-CD2 3.39Å; M146-Y150 PolarHBondContact O-N 2.84Å; M146-Y150 VanDerWaalsContact O-N 3.1Å; A147-Y150 PolarHBondContact O-N 3.45Å; Y150-R152 PolarHBondContact O-N 3.38Å; Y150-G154 WeakPolarHBondContact O-CA 3.43Å; Y150-G154 PolarHBondContact O-N 3.02Å; Y150-V333 HydrophobicContact CD2-CB 4.45Å; Y150-V333 HydrophobicContact CD2-CG2 4.08Å
151A96Very high94Very high40 Ų4042.9 Ų42.933%0.33124%0.24SC..Hα-helixtrans-63.6-40.8-179.900000112.8A147 L149 F180 K185A147-A151 VanDerWaalsContact O-CB 3.28Å; A147-A151 WeakPolarHBondContact O-CB 3.35Å; A147-A151 PolarHBondContact O-N 2.86Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 3.33Å; A151-F180 HydrophobicContact CB-CE1 4.45Å; A151-F180 HydrophobicContact CB-CZ 3.93Å; A151-K185 PolarHBondContact O-NZ 3.23Å
152R96Very high94.5Very high86 Ų8643.3 Ų43.333%0.32524%0.239SC..Hα-helixtrans-85.1-44.7-177.4176.617555.677.4-3113.1R101 D106 Q148 L149 Y150R101-R152 PolarHBondContact O-NH1 3.09Å; D106-R152 VanDerWaalsContact CG-NH2 3.33Å; D106-R152 IonicContact OD1-NH2 3.01Å; D106-R152 PolarHBondContact OD1-NH2 3.4Å; D106-R152 IonicContact OD2-CZ 3.5Å; D106-R152 IonicContact OD2-NH1 2.86Å; D106-R152 IonicContact OD2-NH2 3.92Å; D106-R152 PolarHBondContact OD2-NH2 3.36Å; Q148-R152 VanDerWaalsContact O-CB 3.22Å; Q148-R152 WeakPolarHBondContact O-CB 3.24Å; Q148-R152 PolarHBondContact O-N 3.48Å; L149-R152 PolarHBondContact O-N 2.87Å; Y150-R152 PolarHBondContact O-N 3.38Å
153A95.9Very high95.1Very high0 Ų040.6 Ų40.60%022%0.218CC..Hα-helixtrans-91.9-16.1-172.800000113.4L97 R98 R101 L149L97-A153 HydrophobicContact CB-CB 4.48Å; L97-A153 HydrophobicContact CD2-CB 3.91Å; R98-A153 WeakPolarHBondContact CB-O 3.32Å; R98-A153 PolarHBondContact N-O 2.84Å; R101-A153 HydrophobicContact CB-CB 3.74Å; L149-A153 HydrophobicContact CD1-CB 3.92Å; L149-A153 VanDerWaalsContact O-CB 3.27Å; L149-A153 WeakPolarHBondContact O-CB 3.48Å; L149-A153 PolarHBondContact O-N 3.47Å
154G96.3Very high95.6Very high1 Ų135.7 Ų35.71%0.0119%0.188CC..SBendtrans-57.3159.616800000112.7R98 Y150R98-G154 PolarHBondContact NE-O 3.14Å; R98-G154 PolarHBondContact NH2-O 3.33Å; Y150-G154 WeakPolarHBondContact O-CA 3.43Å; Y150-G154 PolarHBondContact O-N 3.02Å
155H97.8Very high96Very high5 Ų539.1 Ų39.12%0.02320%0.2CC..PPolyproline II helixtrans-62.6141.8173.2-74-101000110.5N93 N95 M160 Y187 Q217N93-H155 HydrophobicContact CB-CB 4.42Å; N93-H155 PolarHBondContact ND2-ND1 3.34Å; N95-H155 PolarHBondContact ND2-NE2 3.22Å; N95-H155 PolarHBondContact O-CD2 3.49Å; H155-M160 HydrophobicContact CB-CG 4.26Å; H155-M160 HydrophobicContact CB-SD 3.47Å; H155-M160 WeakPolarHBondContact CB-SD 3.31Å; H155-Y187 PolarHBondContact O-OH 3.22Å; H155-Q217 PolarHBondContact ND1-OE1 3.19Å
156S97.2Very high96.2Very high22 Ų2236.7 Ų36.715%0.15419%0.186CC..PPolyproline II helixtrans-91.8134.4174.8-149.40000109.4D158 D159 M160 Y187S156-D158 PolarHBondContact O-N 3.1Å; S156-D158 PolarHBondContact OG-OD2 3.39Å; S156-D159 WeakPolarHBondContact CB-OD2 3.24Å; S156-D159 PolarHBondContact O-N 3.13Å; S156-D159 VanDerWaalsContact O-N 3.14Å; S156-M160 WeakPolarHBondContact O-CG 3.46Å; S156-M160 PolarHBondContact O-N 3.32Å; S156-M160 VanDerWaalsContact O-N 3.13Å; S156-Y187 WeakPolarHBondContact CA-OH 3.01Å
157L97.2Very high96.3Very high2 Ų241.8 Ų41.81%0.0121%0.205CC..Hα-helixtrans-62.2-35175.3-172.364000111.7L91 D159 M160 L161 P173 F176 Y187 L214L91-L157 HydrophobicContact CD1-CD1 4.44Å; L157-D159 PolarHBondContact O-N 3.25Å; L157-M160 PolarHBondContact O-N 3.44Å; L157-M160 VanDerWaalsContact O-N 3.12Å; L157-L161 HydrophobicContact CD1-CB 4.1Å; L157-L161 HydrophobicContact CG-CB 4.19Å; L157-L161 HydrophobicContact CG-CD2 4.42Å; L157-L161 VanDerWaalsContact O-CB 3.24Å; L157-L161 WeakPolarHBondContact O-CB 3.2Å; L157-L161 PolarHBondContact O-N 2.8Å; L157-P173 HydrophobicContact CD2-CB 4.09Å; L157-P173 HydrophobicContact CG-CB 4.29Å; L157-F176 HydrophobicContact CD2-CB 3.43Å; L157-F176 VanDerWaalsContact CD2-CB 3.43Å; L157-F176 HydrophobicContact CD2-CD1 3.89Å; L157-F176 HydrophobicContact CD2-CD2 3.63Å; L157-F176 HydrophobicContact CD2-CE2 4.33Å; L157-F176 HydrophobicContact CD2-CG 3.38Å; L157-Y187 HydrophobicContact CB-CD1 3.83Å; L157-Y187 HydrophobicContact CB-CD2 3.98Å; L157-Y187 HydrophobicContact CB-CE1 3.62Å; L157-Y187 HydrophobicContact CB-CE2 3.8Å; L157-Y187 HydrophobicContact CB-CG 3.99Å; L157-Y187 HydrophobicContact CD1-CD2 4.15Å; L157-Y187 HydrophobicContact CD1-CG 4.24Å; L157-Y187 HydrophobicContact CD2-CD1 3.9Å; L157-Y187 HydrophobicContact CD2-CE1 4.48Å; L157-Y187 HydrophobicContact CD2-CG 3.96Å; L157-Y187 HydrophobicContact CG-CD1 4.4Å; L157-Y187 HydrophobicContact CG-CD2 4.48Å; L157-Y187 HydrophobicContact CG-CG 4.3Å; L157-Y187 PolarHBondContact N-OH 2.04Å; L157-Y187 VanDerWaalsContact N-OH 3.09Å; L157-L214 HydrophobicContact CD1-CD2 4.37Å
158D96.7Very high96.3Very high107 Ų10742.5 Ų42.557%0.57222%0.215SC*.Hα-helixtrans-57.9-33.1175.8-46.9-86.3000113S156S156-D158 PolarHBondContact O-N 3.1Å; S156-D158 PolarHBondContact OG-OD2 3.39Å
159D96.1Very high96.4Very high74 Ų7443.5 Ų43.540%0.39622%0.22SC..Hα-helixtrans-86.7-26.7-179.9-55.7-36.9000111.4R98 S156 L157 Q217R98-D159 IonicContact CZ-OD2 3.9Å; R98-D159 IonicContact NH1-OD2 3.87Å; R98-D159 PolarHBondContact NH1-OD2 2.94Å; S156-D159 WeakPolarHBondContact CB-OD2 3.24Å; S156-D159 PolarHBondContact O-N 3.13Å; S156-D159 VanDerWaalsContact O-N 3.14Å; L157-D159 PolarHBondContact O-N 3.25Å; D159-Q217 VanDerWaalsContact C-NE2 3.32Å; D159-Q217 PolarHBondContact O-NE2 3.44Å
160M97.7Very high96.4Very high1 Ų148.4 Ų48.41%0.00525%0.252CS..Hα-helixtrans-87.4-38.3-178.6-70.4-177.556.500112.7N93 H155 S156 L157 L162 L214 D215 I237N93-M160 HydrophobicContact CB-CE 4.15Å; N93-M160 HydrophobicContact CB-SD 4.21Å; H155-M160 HydrophobicContact CB-CG 4.26Å; H155-M160 HydrophobicContact CB-SD 3.47Å; H155-M160 WeakPolarHBondContact CB-SD 3.31Å; S156-M160 WeakPolarHBondContact O-CG 3.46Å; S156-M160 PolarHBondContact O-N 3.32Å; S156-M160 VanDerWaalsContact O-N 3.13Å; L157-M160 PolarHBondContact O-N 3.44Å; L157-M160 VanDerWaalsContact O-N 3.12Å; M160-L162 PolarHBondContact O-N 2.83Å; M160-L214 HydrophobicContact CB-CD2 4.15Å; M160-L214 CarbonylContact O-C 3.54Å; M160-L214 VanDerWaalsContact O-CA 3.25Å; M160-L214 WeakPolarHBondContact O-CA 3.39Å; M160-D215 WeakPolarHBondContact CG-O 3.44Å; M160-D215 PolarHBondContact O-N 3.49Å; M160-I237 HydrophobicContact CE-CG2 4.08Å
161L97.9Very high96.5Very high24 Ų2448.1 Ų48.113%0.12625%0.254CS..EExtended strand (participates in β ladder)trans-81.5106.5-171.5-169.167000111.2L157 C164 P173 F176 I212 L214L157-L161 HydrophobicContact CD1-CB 4.1Å; L157-L161 HydrophobicContact CG-CB 4.19Å; L157-L161 HydrophobicContact CG-CD2 4.42Å; L157-L161 VanDerWaalsContact O-CB 3.24Å; L157-L161 WeakPolarHBondContact O-CB 3.2Å; L157-L161 PolarHBondContact O-N 2.8Å; L161-C164 HydrophobicContact CD1-CB 4.08Å; L161-C164 HydrophobicContact CD2-CB 3.93Å; L161-C164 HydrophobicContact CG-CB 4.2Å; L161-P173 HydrophobicContact CD2-CG 4.17Å; L161-F176 HydrophobicContact CD2-CE2 4.18Å; L161-I212 HydrophobicContact CD1-CB 4.12Å; L161-I212 HydrophobicContact CD1-CG2 4.19Å; L161-L214 HydrophobicContact CB-CD2 4.24Å; L161-L214 HydrophobicContact CD1-CD2 3.75Å
162L96.8Very high96.4Very high54 Ų5446.6 Ų46.628%0.28324%0.242SC..EExtended strand (participates in β ladder)trans-89.2-37.8-177.7-58.1-177.8000113M160 M213 D215 L397 V408M160-L162 PolarHBondContact O-N 2.83Å; L162-M213 HydrophobicContact CB-CB 4.28Å; L162-M213 HydrophobicContact CB-CG 4.18Å; L162-M213 WeakPolarHBondContact CB-O 3.3Å; L162-M213 HydrophobicContact CD1-CG 4.18Å; L162-M213 HydrophobicContact CD1-SD 4.49Å; L162-M213 PolarHBondContact N-O 3.25Å; L162-D215 HydrophobicContact CD1-CB 4.08Å; L162-D215 HydrophobicContact CD2-CB 4.13Å; L162-D215 HydrophobicContact CG-CB 4.15Å; L162-L397 HydrophobicContact CD1-CD1 3.75Å; L162-L397 HydrophobicContact CD1-CD2 4.18Å; L162-L397 HydrophobicContact CD2-CD2 4.01Å; L162-V408 HydrophobicContact CD1-CG1 4.28Å; L162-V408 HydrophobicContact CD1-CG2 3.98Å
163D96.6Very high96.4Very high56 Ų5644.3 Ų44.330%0.29924%0.238SC..EExtended strand (participates in β ladder)trans-150.7148.6174.1-161.312.8000108.8R165 I212 M213D163-R165 IonicContact OD2-NE 3.62Å; D163-R165 IonicContact OD2-NH2 3.98Å; D163-I212 WeakPolarHBondContact O-CA 3.4Å; D163-M213 HydrophobicContact CB-CB 4.1Å; D163-M213 PolarHBondContact N-O 3.43Å; D163-M213 PolarHBondContact O-N 3.49Å
164C97.9Very high96.3Very high3 Ų351.3 Ų51.32%0.0227%0.271CS..EExtended strand (participates in β ladder)trans-149128.1179.1-176.90000109.5L161 C171 D211 I212L161-C164 HydrophobicContact CD1-CB 4.08Å; L161-C164 HydrophobicContact CD2-CB 3.93Å; L161-C164 HydrophobicContact CG-CB 4.2Å; C164-C171 HydrophobicContact CB-CB 4.12Å; C164-C171 WeakPolarHBondContact CB-O 3.44Å; C164-C171 WeakPolarHBondContact CB-SG 3.31Å; C164-C171 PolarHBondContact O-N 3.45Å; C164-C171 PolarHBondContact O-SG 3.32Å; C164-C171 WeakPolarHBondContact SG-CB 3.12Å; C164-C171 CovalentContact SG-SG 2.04Å; C164-C171 PolarHBondContact SG-SG 3.35Å; C164-D211 CarbonylContact C-O 3.54Å; C164-D211 WeakPolarHBondContact CA-O 3.38Å; C164-I212 HydrophobicContact CB-CG2 4.24Å
165R97.6Very high96.3Very high107 Ų10754.6 Ų54.640%0.40429%0.288SS..EExtended strand (participates in β ladder)trans-135.2135.5174.4-62.6173.6-176.9-92.5-7.9110.5D163 Q169 C171 L210 D211D163-R165 IonicContact OD2-NE 3.62Å; D163-R165 IonicContact OD2-NH2 3.98Å; R165-Q169 CarbonylContact C-O 3.59Å; R165-Q169 WeakPolarHBondContact CA-O 3.41Å; R165-C171 VanDerWaalsContact C-SG 3.54Å; R165-C171 PolarHBondContact N-SG 3.35Å; R165-L210 WeakPolarHBondContact O-CA 3.08Å; R165-D211 HydrophobicContact CB-CB 4.33Å; R165-D211 PolarHBondContact N-O 3.16Å; R165-D211 PolarHBondContact O-N 2.05Å
166F96.9Very high96.2Very high18 Ų1855 Ų558%0.07929%0.29CS..EExtended strand (participates in β ladder)trans-121.5120167.7-178.9-108.8000109F86 G168 Q169 F189 L199 G209 L210F86-F166 HydrophobicContact CB-CE2 4.2Å; F86-F166 HydrophobicContact CB-CZ 4.08Å; F86-F166 AromaticContact CD1-CE2 3.84Å; F86-F166 HydrophobicContact CD1-CE2 3.84Å; F86-F166 HydrophobicContact CD1-CZ 4.49Å; F86-F166 AromaticContact CD2-CE2 3.78Å; F86-F166 HydrophobicContact CD2-CE2 3.78Å; F86-F166 HydrophobicContact CD2-CZ 4.32Å; F86-F166 HydrophobicContact CE1-CE2 4.14Å; F86-F166 HydrophobicContact CE2-CE2 4.09Å; F86-F166 AromaticContact CG-CE2 3.65Å; F86-F166 HydrophobicContact CG-CE2 3.65Å; F86-F166 HydrophobicContact CG-CZ 4.04Å; F86-F166 HydrophobicContact CZ-CE2 4.26Å; F166-G168 PolarHBondContact O-N 3.04Å; F166-Q169 PolarHBondContact N-O 3.3Å; F166-Q169 WeakPolarHBondContact O-CB 3.3Å; F166-Q169 PolarHBondContact O-N 2.87Å; F166-F189 HydrophobicContact CB-CZ 3.96Å; F166-F189 AromaticContact CD2-CE1 3.89Å; F166-F189 HydrophobicContact CD2-CE1 3.89Å; F166-F189 AromaticContact CD2-CZ 3.84Å; F166-F189 HydrophobicContact CD2-CZ 3.84Å; F166-F189 HydrophobicContact CE2-CE1 4.21Å; F166-F189 HydrophobicContact CG-CE1 4.35Å; F166-F189 AromaticContact CG-CZ 3.85Å; F166-F189 HydrophobicContact CG-CZ 3.85Å; F166-L199 HydrophobicContact CD1-CB 4.49Å; F166-L199 HydrophobicContact CD1-CD1 3.91Å; F166-L199 HydrophobicContact CE1-CB 3.65Å; F166-L199 HydrophobicContact CE1-CD1 3.88Å; F166-L199 HydrophobicContact CE1-CD2 4.28Å; F166-L199 HydrophobicContact CE1-CG 4.16Å; F166-L199 HydrophobicContact CG-CD1 4.35Å; F166-L199 HydrophobicContact CZ-CB 3.75Å; F166-L199 HydrophobicContact CZ-CD1 4.32Å; F166-G209 WeakPolarHBondContact CA-O 3.42Å; F166-G209 WeakPolarHBondContact CD2-O 3.3Å; F166-L210 HydrophobicContact CD2-CB 4.33Å
167R94.9Very high96.2Very high107 Ų10756.3 Ų56.340%0.40430%0.297SS..THydrogen-bonded Turntrans53.237.5-174.9-59.9164.956.7-160-8.9112.8Q169 T200 G207 N208 G209R167-Q169 PolarHBondContact O-N 2.89Å; R167-T200 WeakPolarHBondContact CD-O 3.48Å; R167-T200 PolarHBondContact NH1-O 3.17Å; R167-T200 VanDerWaalsContact NH1-O 3.15Å; R167-G207 CarbonylContact C-O 3.42Å; R167-N208 WeakPolarHBondContact CG-O 3.29Å; R167-G209 PolarHBondContact N-O 2.96Å
168G92.9Very high96.1Very high42 Ų4259.4 Ų59.443%0.43332%0.316SS..THydrogen-bonded Turntrans74.6-7.5-176.300000115.8F166F166-G168 PolarHBondContact O-N 3.04Å
169Q95.5Very high96.1Very high134 Ų13456.8 Ų56.863%0.62630%0.302SS*.EExtended strand (participates in β ladder)trans-84.1140.9174.5-61.2-57.2-45.900110.5R165 F166 R167R165-Q169 CarbonylContact C-O 3.59Å; R165-Q169 WeakPolarHBondContact CA-O 3.41Å; F166-Q169 PolarHBondContact N-O 3.3Å; F166-Q169 WeakPolarHBondContact O-CB 3.3Å; F166-Q169 PolarHBondContact O-N 2.87Å; R167-Q169 PolarHBondContact O-N 2.89Å
170P96.5Very high96Very high105 Ų10556 Ų5668%0.68230%0.295SS*.EExtended strand (participates in β ladder)trans-63.2138.7177.328.2-34.2000110.8
171C95.7Very high95.9Very high22 Ų2256.5 Ų56.515%0.14930%0.298CS..  trans-123.2168.7167.844.30000110.3C164 R165 N175C164-C171 HydrophobicContact CB-CB 4.12Å; C164-C171 WeakPolarHBondContact CB-O 3.44Å; C164-C171 WeakPolarHBondContact CB-SG 3.31Å; C164-C171 PolarHBondContact O-N 3.45Å; C164-C171 PolarHBondContact O-SG 3.32Å; C164-C171 WeakPolarHBondContact SG-CB 3.12Å; C164-C171 CovalentContact SG-SG 2.04Å; C164-C171 PolarHBondContact SG-SG 3.35Å; R165-C171 VanDerWaalsContact C-SG 3.54Å; R165-C171 PolarHBondContact N-SG 3.35Å; C171-N175 WeakPolarHBondContact CA-OD1 3.43Å; C171-N175 VanDerWaalsContact CB-OD1 3.31Å; C171-N175 WeakPolarHBondContact CB-OD1 3.28Å
172G95.3Very high95.6Very high8 Ų859 Ų598%0.08231%0.306CS..  trans-145-176.6179.200000112.8E174 N175 F176G172-E174 VanDerWaalsContact CA-OE2 3.29Å; G172-E174 WeakPolarHBondContact CA-OE2 3.24Å; G172-E174 PolarHBondContact O-N 2.98Å; G172-E174 VanDerWaalsContact O-N 3.14Å; G172-N175 PolarHBondContact N-OD1 3.34Å; G172-N175 PolarHBondContact O-N 3.12Å; G172-N175 PolarHBondContact O-OD1 3.01Å; G172-F176 WeakPolarHBondContact O-CD2 3.49Å
173P95.8Very high95.4Very high38 Ų3857.6 Ų57.625%0.24730%0.298CS..G310 helixtrans-55.9-26.8178.6-25.135.5000114.1L157 L161 N175 F176L157-P173 HydrophobicContact CD2-CB 4.09Å; L157-P173 HydrophobicContact CG-CB 4.29Å; L161-P173 HydrophobicContact CD2-CG 4.17Å; P173-N175 PolarHBondContact O-N 3.39Å; P173-F176 PolarHBondContact O-N 2.04Å; P173-F176 VanDerWaalsContact O-N 3.09Å
174E94Very high95.3Very high148 Ų14855 Ų5569%0.69229%0.285SS*.G310 helixtrans-63.1-20.517669.4-79.4-174.200114G172 F176G172-E174 VanDerWaalsContact CA-OE2 3.29Å; G172-E174 WeakPolarHBondContact CA-OE2 3.24Å; G172-E174 PolarHBondContact O-N 2.98Å; G172-E174 VanDerWaalsContact O-N 3.14Å; E174-F176 VanDerWaalsContact C-N 3.27Å
175N94.8Very high95.2Very high69 Ų6956.8 Ų56.837%0.36929%0.292SS..G310 helixtrans-86.12.1176.2-58116.6000113.1C171 G172 P173 F189C171-N175 WeakPolarHBondContact CA-OD1 3.43Å; C171-N175 VanDerWaalsContact CB-OD1 3.31Å; C171-N175 WeakPolarHBondContact CB-OD1 3.28Å; G172-N175 PolarHBondContact N-OD1 3.34Å; G172-N175 PolarHBondContact O-N 3.12Å; G172-N175 PolarHBondContact O-OD1 3.01Å; P173-N175 PolarHBondContact O-N 3.39Å; N175-F189 HydrophobicContact CB-CD2 4.24Å; N175-F189 HydrophobicContact CB-CE2 4.04Å
176F96.6Very high95.3Very high15 Ų1551.7 Ų51.77%0.06627%0.273CS..EExtended strand (participates in β ladder)trans-116.2127.8-179.2-67.3-108.5000110.6L91 L157 L161 G172 P173 E174 T188 F189 I212L91-F176 HydrophobicContact CD2-CE1 3.95Å; L157-F176 HydrophobicContact CD2-CB 3.43Å; L157-F176 VanDerWaalsContact CD2-CB 3.43Å; L157-F176 HydrophobicContact CD2-CD1 3.89Å; L157-F176 HydrophobicContact CD2-CD2 3.63Å; L157-F176 HydrophobicContact CD2-CE2 4.33Å; L157-F176 HydrophobicContact CD2-CG 3.38Å; L161-F176 HydrophobicContact CD2-CE2 4.18Å; G172-F176 WeakPolarHBondContact O-CD2 3.49Å; P173-F176 PolarHBondContact O-N 2.04Å; P173-F176 VanDerWaalsContact O-N 3.09Å; E174-F176 VanDerWaalsContact C-N 3.27Å; F176-T188 WeakPolarHBondContact CA-O 3.42Å; F176-F189 HydrophobicContact CD1-CB 3.82Å; F176-F189 HydrophobicContact CD2-CD2 4.25Å; F176-F189 HydrophobicContact CE1-CB 3.57Å; F176-F189 HydrophobicContact CE1-CD2 4.23Å; F176-F189 HydrophobicContact CE1-CG 4.33Å; F176-F189 AromaticContact CE2-CD2 3.82Å; F176-F189 HydrophobicContact CE2-CD2 3.82Å; F176-F189 HydrophobicContact CG-CB 4.47Å; F176-F189 HydrophobicContact CZ-CB 4Å; F176-F189 AromaticContact CZ-CD2 3.8Å; F176-F189 HydrophobicContact CZ-CD2 3.8Å; F176-F189 HydrophobicContact CZ-CG 4.27Å; F176-I212 HydrophobicContact CZ-CG2 4.41Å
177T96.2Very high95.3Very high48 Ų4851.5 Ų51.529%0.29427%0.272SS..EExtended strand (participates in β ladder)trans-84132.5172.4-50.50000109.5Y187 T188 S191 A193T177-Y187 WeakPolarHBondContact O-CA 3.31Å; T177-T188 PolarHBondContact N-O 3.43Å; T177-T188 PolarHBondContact O-N 2.9Å; T177-S191 PolarHBondContact OG1-OG 3.35Å; T177-A193 HydrophobicContact CG2-CB 4.31Å
178T96.2Very high95.5Very high68 Ų6846.8 Ų46.842%0.41726%0.255SS..EExtended strand (participates in β ladder)trans-74.6128.3173.3-61.30000109.6K185 C186 Y187T178-K185 HydrophobicContact CG2-CG 3.97Å; T178-C186 WeakPolarHBondContact CA-O 3.31Å; T178-Y187 HydrophobicContact CG2-CE1 4.44Å; T178-Y187 WeakPolarHBondContact OG1-CE1 3.22Å
179I95.7Very high95.7Very high51 Ų5144.8 Ų44.826%0.26223%0.234SC..EExtended strand (participates in β ladder)trans-130.9149.6175.2-170164.2000109.9T90 C186 T188 P248T90-I179 HydrophobicContact CG2-CG2 4.19Å; I179-C186 HydrophobicContact CG2-CB 3.91Å; I179-C186 PolarHBondContact N-O 2.78Å; I179-C186 CarbonylContact O-C 3.59Å; I179-C186 WeakPolarHBondContact O-CA 3.31Å; I179-C186 WeakPolarHBondContact O-CB 3Å; I179-C186 PolarHBondContact O-N 3.36Å; I179-C186 VanDerWaalsContact O-O 3.08Å; I179-T188 WeakPolarHBondContact CG2-OG1 3.48Å; I179-P248 HydrophobicContact CD1-CG 3.69Å
180F95.6Very high95.8Very high59 Ų5939 Ų3926%0.25921%0.207SC..EExtended strand (participates in β ladder)trans-102.4130.7173.1-65.4-80.5000109.9A151 G184 K185 V333 Y334A151-F180 HydrophobicContact CB-CE1 4.45Å; A151-F180 HydrophobicContact CB-CZ 3.93Å; F180-G184 WeakPolarHBondContact CA-O 3.49Å; F180-K185 HydrophobicContact CD1-CB 4.39Å; F180-K185 HydrophobicContact CE1-CB 4.07Å; F180-K185 HydrophobicContact CE1-CG 4.1Å; F180-V333 HydrophobicContact CB-CG1 3.89Å; F180-V333 HydrophobicContact CD1-CG1 3.88Å; F180-V333 HydrophobicContact CD2-CG1 4.26Å; F180-V333 HydrophobicContact CG-CG1 3.74Å; F180-Y334 WeakPolarHBondContact O-CA 3.25Å; F180-Y334 WeakPolarHBondContact O-CB 3.38Å
181T95.2Very high95.7Very high11 Ų1135.1 Ų35.17%0.06718%0.183CC..EExtended strand (participates in β ladder)trans-121.8-176.7173.574.60000109.3M183 G184 C186 P248 I250T181-M183 PolarHBondContact O-N 2.86Å; T181-M183 PolarHBondContact OG1-N 3.25Å; T181-M183 VanDerWaalsContact OG1-N 3.13Å; T181-G184 PolarHBondContact N-O 2.84Å; T181-G184 PolarHBondContact O-N 3.24Å; T181-C186 HydrophobicContact CG2-CB 4.18Å; T181-C186 PolarHBondContact OG1-SG 2.58Å; T181-P248 HydrophobicContact CG2-CG 4.48Å; T181-I250 HydrophobicContact CG2-CG2 3.95Å
182R92.1Very high95.5Very high76 Ų7635.4 Ų35.429%0.28719%0.189SC..THydrogen-bonded Turntrans-58.3-25.5170.4-74.9171.5168.6-1650.3113.2G184 D251 E320 Y334R182-G184 PolarHBondContact O-N 3.49Å; R182-D251 HydrophobicContact CB-CB 4.27Å; R182-D251 WeakPolarHBondContact CD-OD2 3.29Å; R182-D251 IonicContact CZ-OD2 3.94Å; R182-D251 IonicContact NE-OD2 3.61Å; R182-D251 IonicContact NH1-OD2 3.52Å; R182-D251 PolarHBondContact NH1-OD2 2.03Å; R182-D251 VanDerWaalsContact NH1-OD2 3.13Å; R182-E320 IonicContact CZ-OE1 2.83Å; R182-E320 IonicContact CZ-OE2 3.47Å; R182-E320 IonicContact NE-OE1 3.7Å; R182-E320 IonicContact NH2-OE1 3.03Å; R182-E320 PolarHBondContact NH2-OE1 3.29Å; R182-E320 IonicContact NH2-OE2 3.3Å; R182-E320 PolarHBondContact NH2-OE2 2.9Å; R182-Y334 HydrophobicContact CB-CE1 4.42Å; R182-Y334 HydrophobicContact CG-CD1 3.86Å; R182-Y334 HydrophobicContact CG-CD2 4.38Å; R182-Y334 HydrophobicContact CG-CE1 3.38Å; R182-Y334 HydrophobicContact CG-CE2 3.98Å; R182-Y334 HydrophobicContact CG-CG 4.34Å; R182-Y334 VanDerWaalsContact CG-CZ 3.46Å; R182-Y334 PolarHBondContact NE-OH 3.21Å; R182-Y334 VanDerWaalsContact NE-OH 3.09Å
183M92.4Very high95Very high25 Ų2536.7 Ų36.712%0.12320%0.2CC..THydrogen-bonded Turntrans-79.4-2175.3-61-175.467.700113.6C92 I94 P96 T181 R238 I250 D251C92-M183 HydrophobicContact CB-CB 4.22Å; C92-M183 HydrophobicContact CB-CE 4.19Å; C92-M183 HydrophobicContact CB-SD 4.08Å; I94-M183 HydrophobicContact CG1-CE 4.22Å; P96-M183 WeakPolarHBondContact CB-O 3.27Å; T181-M183 PolarHBondContact O-N 2.86Å; T181-M183 PolarHBondContact OG1-N 3.25Å; T181-M183 VanDerWaalsContact OG1-N 3.13Å; M183-R238 HydrophobicContact CE-CB 4.16Å; M183-R238 HydrophobicContact CE-CG 3.95Å; M183-R238 HydrophobicContact SD-CB 4.02Å; M183-R238 HydrophobicContact SD-CG 4.17Å; M183-I250 HydrophobicContact CG-CG2 4.3Å; M183-I250 HydrophobicContact SD-CG2 3.85Å; M183-D251 HydrophobicContact CG-CB 4.43Å
184G93.4Very high94.3Very high2 Ų243 Ų432%0.02123%0.231CC..EExtended strand (participates in β ladder)trans97.7-134.5-176.900000112.3F180 T181 R182F180-G184 WeakPolarHBondContact CA-O 3.49Å; T181-G184 PolarHBondContact N-O 2.84Å; T181-G184 PolarHBondContact O-N 3.24Å; R182-G184 PolarHBondContact O-N 3.49Å
185K96.9Very high93.7Very high40 Ų4039.6 Ų39.617%0.17424%0.236CC..EExtended strand (participates in β ladder)trans-83.1121-173.5-168.1-178.6-173.7-178.10110.9A151 T178 F180 Y187A151-K185 PolarHBondContact O-NZ 3.23Å; T178-K185 HydrophobicContact CG2-CG 3.97Å; F180-K185 HydrophobicContact CD1-CB 4.39Å; F180-K185 HydrophobicContact CE1-CB 4.07Å; F180-K185 HydrophobicContact CE1-CG 4.1Å; K185-Y187 VanDerWaalsContact CE-OH 3.29Å; K185-Y187 WeakPolarHBondContact CE-OH 3.22Å
186C97.9Very high93.4Very high0 Ų039.1 Ų39.10%024%0.242CC..EExtended strand (participates in β ladder)trans-131.3170.8-175.1-59.40000111.4T90 L91 C92 T178 I179 T181T90-C186 HydrophobicContact CG2-CB 4.43Å; L91-C186 WeakPolarHBondContact O-CA 3.42Å; L91-C186 WeakPolarHBondContact O-CB 3.05Å; C92-C186 HydrophobicContact CB-CB 4.07Å; C92-C186 WeakPolarHBondContact CB-SG 3.39Å; C92-C186 WeakPolarHBondContact SG-CB 3.4Å; C92-C186 CovalentContact SG-SG 2.01Å; C92-C186 PolarHBondContact SG-SG 2.91Å; T178-C186 WeakPolarHBondContact CA-O 3.31Å; I179-C186 HydrophobicContact CG2-CB 3.91Å; I179-C186 PolarHBondContact N-O 2.78Å; I179-C186 CarbonylContact O-C 3.59Å; I179-C186 WeakPolarHBondContact O-CA 3.31Å; I179-C186 WeakPolarHBondContact O-CB 3Å; I179-C186 PolarHBondContact O-N 3.36Å; I179-C186 VanDerWaalsContact O-O 3.08Å; T181-C186 HydrophobicContact CG2-CB 4.18Å; T181-C186 PolarHBondContact OG1-SG 2.58Å
187Y98.1Very high93.2Very high13 Ų1346.2 Ų46.25%0.05128%0.275CS..EExtended strand (participates in β ladder)trans-136.2130.1-172.5-61.8-77.5000111.1T90 L91 H155 S156 L157 T177 T178 K185T90-Y187 CarbonylContact C-O 3.6Å; T90-Y187 WeakPolarHBondContact CA-O 3.1Å; L91-Y187 HydrophobicContact CD1-CD2 4.35Å; L91-Y187 PolarHBondContact N-O 3.35Å; L91-Y187 PolarHBondContact O-N 2.97Å; H155-Y187 PolarHBondContact O-OH 3.22Å; S156-Y187 WeakPolarHBondContact CA-OH 3.01Å; L157-Y187 HydrophobicContact CB-CD1 3.83Å; L157-Y187 HydrophobicContact CB-CD2 3.98Å; L157-Y187 HydrophobicContact CB-CE1 3.62Å; L157-Y187 HydrophobicContact CB-CE2 3.8Å; L157-Y187 HydrophobicContact CB-CG 3.99Å; L157-Y187 HydrophobicContact CD1-CD2 4.15Å; L157-Y187 HydrophobicContact CD1-CG 4.24Å; L157-Y187 HydrophobicContact CD2-CD1 3.9Å; L157-Y187 HydrophobicContact CD2-CE1 4.48Å; L157-Y187 HydrophobicContact CD2-CG 3.96Å; L157-Y187 HydrophobicContact CG-CD1 4.4Å; L157-Y187 HydrophobicContact CG-CD2 4.48Å; L157-Y187 HydrophobicContact CG-CG 4.3Å; L157-Y187 PolarHBondContact N-OH 2.04Å; L157-Y187 VanDerWaalsContact N-OH 3.09Å; T177-Y187 WeakPolarHBondContact O-CA 3.31Å; T178-Y187 HydrophobicContact CG2-CE1 4.44Å; T178-Y187 WeakPolarHBondContact OG1-CE1 3.22Å; K185-Y187 VanDerWaalsContact CE-OH 3.29Å; K185-Y187 WeakPolarHBondContact CE-OH 3.22Å
188T98.1Very high93.1Very high8 Ų846.5 Ų46.55%0.04927%0.274CS..EExtended strand (participates in β ladder)trans-114.1113.6179.2-54.30000110.3A88 V89 T90 F176 T177 I179A88-T188 HydrophobicContact CB-CG2 3.95Å; V89-T188 CarbonylContact O-C 3.5Å; V89-T188 WeakPolarHBondContact O-CA 3.3Å; T90-T188 WeakPolarHBondContact OG1-CG2 3.48Å; T90-T188 PolarHBondContact OG1-OG1 3.21Å; F176-T188 WeakPolarHBondContact CA-O 3.42Å; T177-T188 PolarHBondContact N-O 3.43Å; T177-T188 PolarHBondContact O-N 2.9Å; I179-T188 WeakPolarHBondContact CG2-OG1 3.48Å
189F98Very high93Very high1 Ų146 Ų460%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-73.9140.1167.6-177.7-102.2000110F86 A88 V89 F166 N175 F176 S191 L199 L210F86-F189 HydrophobicContact CD1-CD1 4.33Å; F86-F189 HydrophobicContact CD1-CE1 4.05Å; F86-F189 HydrophobicContact CE1-CD1 4.19Å; F86-F189 HydrophobicContact CE1-CE1 4.07Å; A88-F189 WeakPolarHBondContact CA-O 3.31Å; V89-F189 HydrophobicContact CB-CB 4.25Å; V89-F189 PolarHBondContact N-O 3.47Å; V89-F189 PolarHBondContact O-N 2.8Å; F166-F189 HydrophobicContact CB-CZ 3.96Å; F166-F189 AromaticContact CD2-CE1 3.89Å; F166-F189 HydrophobicContact CD2-CE1 3.89Å; F166-F189 AromaticContact CD2-CZ 3.84Å; F166-F189 HydrophobicContact CD2-CZ 3.84Å; F166-F189 HydrophobicContact CE2-CE1 4.21Å; F166-F189 HydrophobicContact CG-CE1 4.35Å; F166-F189 AromaticContact CG-CZ 3.85Å; F166-F189 HydrophobicContact CG-CZ 3.85Å; N175-F189 HydrophobicContact CB-CD2 4.24Å; N175-F189 HydrophobicContact CB-CE2 4.04Å; F176-F189 HydrophobicContact CD1-CB 3.82Å; F176-F189 HydrophobicContact CD2-CD2 4.25Å; F176-F189 HydrophobicContact CE1-CB 3.57Å; F176-F189 HydrophobicContact CE1-CD2 4.23Å; F176-F189 HydrophobicContact CE1-CG 4.33Å; F176-F189 AromaticContact CE2-CD2 3.82Å; F176-F189 HydrophobicContact CE2-CD2 3.82Å; F176-F189 HydrophobicContact CG-CB 4.47Å; F176-F189 HydrophobicContact CZ-CB 4Å; F176-F189 AromaticContact CZ-CD2 3.8Å; F176-F189 HydrophobicContact CZ-CD2 3.8Å; F176-F189 HydrophobicContact CZ-CG 4.27Å; F189-S191 VanDerWaalsContact C-N 3.32Å; F189-S191 PolarHBondContact O-N 3.48Å; F189-L199 HydrophobicContact CE1-CD1 3.73Å; F189-L199 HydrophobicContact CE2-CD1 4.14Å; F189-L199 HydrophobicContact CZ-CD1 3.34Å; F189-L210 HydrophobicContact CB-CD2 4.25Å; F189-L210 HydrophobicContact CD1-CD1 4.21Å; F189-L210 HydrophobicContact CD1-CD2 3.8Å; F189-L210 HydrophobicContact CD1-CG 4.49Å; F189-L210 HydrophobicContact CD2-CD1 4.18Å; F189-L210 HydrophobicContact CE1-CD1 4Å; F189-L210 HydrophobicContact CE1-CD2 4.29Å; F189-L210 HydrophobicContact CE2-CD1 3.96Å; F189-L210 HydrophobicContact CG-CD1 4.29Å; F189-L210 HydrophobicContact CG-CD2 3.98Å; F189-L210 HydrophobicContact CZ-CD1 3.87Å
190N96.9Very high93Very high11 Ų1144.2 Ų44.26%0.05926%0.26CS..THydrogen-bonded Turntrans54.245.2175.5-168.640.5000113.6F86 P87 G192 L199 Q244F86-N190 PolarHBondContact O-ND2 3.04Å; P87-N190 PolarHBondContact O-ND2 3.45Å; N190-G192 VanDerWaalsContact C-N 3.3Å; N190-G192 PolarHBondContact O-N 2.92Å; N190-L199 HydrophobicContact CB-CD1 4.24Å; N190-L199 WeakPolarHBondContact OD1-CB 2.84Å; N190-L199 WeakPolarHBondContact OD1-CG 3.06Å; N190-L199 PolarHBondContact OD1-N 3.09Å; N190-Q244 PolarHBondContact ND2-NE2 3.48Å; N190-Q244 WeakPolarHBondContact O-CG 3.34Å; N190-Q244 PolarHBondContact O-NE2 2.91Å
191S94.9Very high92.9Very high24 Ų2441.5 Ų41.517%0.16825%0.249CC..  trans-66.5-26.8-177.960.50000113.9T177 F189 A193T177-S191 PolarHBondContact OG1-OG 3.35Å; F189-S191 VanDerWaalsContact C-N 3.32Å; F189-S191 PolarHBondContact O-N 3.48Å; S191-A193 PolarHBondContact O-N 3.01Å; S191-A193 WeakPolarHBondContact OG-CB 3.17Å; S191-A193 PolarHBondContact OG-N 3.47Å
192G91.1Very high92.7Very high28 Ų2844 Ų4429%0.28926%0.264SS..  trans68.86.9-16900000114.2N190 L198N190-G192 VanDerWaalsContact C-N 3.3Å; N190-G192 PolarHBondContact O-N 2.92Å; G192-L198 VanDerWaalsContact CA-CD2 3.42Å
193A85.5Confident92.6Very high36 Ų3648.6 Ų48.630%0.29828%0.281SS..G310 helixtrans-65156177.100000111.2T177 S191 G195 A196T177-A193 HydrophobicContact CG2-CB 4.31Å; S191-A193 PolarHBondContact O-N 3.01Å; S191-A193 WeakPolarHBondContact OG-CB 3.17Å; S191-A193 PolarHBondContact OG-N 3.47Å; A193-G195 PolarHBondContact O-N 3.1Å; A193-G195 VanDerWaalsContact O-N 3.07Å; A193-A196 WeakPolarHBondContact O-CB 3.29Å; A193-A196 PolarHBondContact O-N 3.43Å; A193-A196 VanDerWaalsContact O-N 3.1Å
194D81Confident92.6Very high170 Ų17048.5 Ų48.591%0.90929%0.287SS*.G310 helixtrans5723.6176.2-52.6-39.6000115.1A196D194-A196 VanDerWaalsContact C-N 3.31Å; D194-A196 PolarHBondContact O-N 2.89Å
195G81.6Confident92.5Very high77 Ų7749.7 Ų49.779%0.79430%0.299SS*.G310 helixtrans75.815.718000000114.3A193A193-G195 PolarHBondContact O-N 3.1Å; A193-G195 VanDerWaalsContact O-N 3.07Å
196A88.2Confident92.3Very high59 Ų5953 Ų5349%0.48832%0.316SS..PPolyproline II helixtrans-60.4137.3173.900000111.3A193 D194 L198A193-A196 WeakPolarHBondContact O-CB 3.29Å; A193-A196 PolarHBondContact O-N 3.43Å; A193-A196 VanDerWaalsContact O-N 3.1Å; D194-A196 VanDerWaalsContact C-N 3.31Å; D194-A196 PolarHBondContact O-N 2.89Å; A196-L198 PolarHBondContact O-N 2.64Å
197E91.6Very high91.9Very high163 Ų16355.4 Ų55.476%0.76234%0.341SS*.PPolyproline II helixtrans-65130.8177.5-171.1-17717100110.6L199E197-L199 PolarHBondContact O-N 2.83Å
198L94.7Very high91.7Very high54 Ų5457 Ų5728%0.28335%0.351SS..PPolyproline II helixtrans-68.9128.2179.1-60.9-175.4000111.3I85 G192 A196 Q244I85-L198 HydrophobicContact CG2-CB 4.08Å; I85-L198 HydrophobicContact CG2-CD1 4.04Å; G192-L198 VanDerWaalsContact CA-CD2 3.42Å; A196-L198 PolarHBondContact O-N 2.64Å; L198-Q244 HydrophobicContact CD1-CG 4.44Å; L198-Q244 HydrophobicContact CD2-CB 4.48Å; L198-Q244 HydrophobicContact CD2-CG 3.68Å
199L95.2Very high91.6Very high58 Ų5856.8 Ų56.830%0.30435%0.35SS..PPolyproline II helixtrans-69.5142.7176.2-60.1178.7000110.7F86 F166 F189 N190 E197F86-L199 WeakPolarHBondContact CB-O 3.49Å; F86-L199 PolarHBondContact N-O 3.45Å; F166-L199 HydrophobicContact CD1-CB 4.49Å; F166-L199 HydrophobicContact CD1-CD1 3.91Å; F166-L199 HydrophobicContact CE1-CB 3.65Å; F166-L199 HydrophobicContact CE1-CD1 3.88Å; F166-L199 HydrophobicContact CE1-CD2 4.28Å; F166-L199 HydrophobicContact CE1-CG 4.16Å; F166-L199 HydrophobicContact CG-CD1 4.35Å; F166-L199 HydrophobicContact CZ-CB 3.75Å; F166-L199 HydrophobicContact CZ-CD1 4.32Å; F189-L199 HydrophobicContact CE1-CD1 3.73Å; F189-L199 HydrophobicContact CE2-CD1 4.14Å; F189-L199 HydrophobicContact CZ-CD1 3.34Å; N190-L199 HydrophobicContact CB-CD1 4.24Å; N190-L199 WeakPolarHBondContact OD1-CB 2.84Å; N190-L199 WeakPolarHBondContact OD1-CG 3.06Å; N190-L199 PolarHBondContact OD1-N 3.09Å; E197-L199 PolarHBondContact O-N 2.83Å
200T94.6Very high91.6Very high13 Ų1356.8 Ų56.88%0.0835%0.35CS..EExtended strand (participates in β ladder)trans-132151-178.464.20000111.3R83 L84 I85 R167R83-T200 HydrophobicContact CG-CG2 4.26Å; R83-T200 VanDerWaalsContact NE-CB 3.33Å; R83-T200 VanDerWaalsContact NE-CG2 3.33Å; R83-T200 PolarHBondContact NE-OG1 3.32Å; R83-T200 PolarHBondContact NH2-OG1 3.37Å; L84-T200 CarbonylContact O-C 3.57Å; L84-T200 WeakPolarHBondContact O-CA 3.5Å; L84-T200 VanDerWaalsContact O-CB 3.28Å; L84-T200 WeakPolarHBondContact O-CB 3.41Å; I85-T200 HydrophobicContact CG1-CG2 4.16Å; R167-T200 WeakPolarHBondContact CD-O 3.48Å; R167-T200 PolarHBondContact NH1-O 3.17Å; R167-T200 VanDerWaalsContact NH1-O 3.15Å
201T93.3Very high91.6Very high2 Ų258.5 Ų58.51%0.01236%0.359CS..EExtended strand (participates in β ladder)trans-107.8149.8169.6-1710000111.9R83 L84 R203 N208 F415 L418R83-T201 WeakPolarHBondContact CA-O 3.44Å; L84-T201 HydrophobicContact CB-CG2 4.26Å; L84-T201 PolarHBondContact N-O 3.15Å; L84-T201 PolarHBondContact O-N 3.28Å; T201-R203 PolarHBondContact OG1-N 3.02Å; T201-R203 PolarHBondContact OG1-O 3.12Å; T201-N208 PolarHBondContact OG1-O 3.44Å; T201-F415 HydrophobicContact CG2-CD2 3.45Å; T201-F415 VanDerWaalsContact CG2-CD2 3.45Å; T201-F415 HydrophobicContact CG2-CE2 3.88Å; T201-F415 HydrophobicContact CG2-CG 4.49Å; T201-L418 HydrophobicContact CG2-CD2 3.86Å
202T91.1Very high91.7Very high64 Ų6457.4 Ų57.439%0.39335%0.351SS..SBendtrans-119.85.3177.557.10000112.7L418T202-L418 WeakPolarHBondContact O-CD1 3.5Å
203R90.8Very high92Very high172 Ų17257.9 Ų57.965%0.64935%0.347SS*.SBendtrans-150.6145176.3-64.3-174.5-176-175.90.2110T201 N208T201-R203 PolarHBondContact OG1-N 3.02Å; T201-R203 PolarHBondContact OG1-O 3.12Å; R203-N208 HydrophobicContact CB-CB 4.17Å; R203-N208 VanDerWaalsContact CB-ND2 3.35Å; R203-N208 WeakPolarHBondContact CB-ND2 3.43Å; R203-N208 WeakPolarHBondContact O-CB 3.45Å
204G91.5Very high92.6Very high24 Ų2456.1 Ų56.125%0.24733%0.332CS..  trans-75.5172.8168.600000112.5N208 F415G204-N208 PolarHBondContact O-ND2 3.49Å; G204-F415 CarbonylContact C-O 3.54Å; G204-F415 WeakPolarHBondContact CA-O 3.1Å
205G92.4Very high93.4Very high26 Ų2648.6 Ų48.627%0.26829%0.292SS..SBendtrans90.9159.5175.800000115.3G207 N208 F414 F415G205-G207 VanDerWaalsContact C-N 3.34Å; G205-G207 PolarHBondContact O-N 2.89Å; G205-G207 VanDerWaalsContact O-N 3.16Å; G205-N208 PolarHBondContact O-N 3.24Å; G205-F414 WeakPolarHBondContact O-CB 3.36Å; G205-F415 PolarHBondContact N-O 2.88Å
206M90.9Very high94.2Very high109 Ų10944.9 Ų44.954%0.53725%0.254SS..G310 helixtrans-50-41.3-170.456.9-176.555.400115.6N208 G209 F264 F414M206-N208 PolarHBondContact O-N 2.87Å; M206-G209 PolarHBondContact O-N 3.27Å; M206-F264 HydrophobicContact CE-CD1 4.22Å; M206-F264 HydrophobicContact CE-CE1 4.08Å; M206-F414 HydrophobicContact CB-CD1 3.97Å; M206-F414 HydrophobicContact CB-CE1 4.03Å; M206-F414 HydrophobicContact CB-CG 4.43Å
207G89.9Confident94.6Very high51 Ų5142.9 Ų42.953%0.52624%0.235SC..G310 helixtrans-71.4-9.7-178.600000115.1R167 G205R167-G207 CarbonylContact C-O 3.42Å; G205-G207 VanDerWaalsContact C-N 3.34Å; G205-G207 PolarHBondContact O-N 2.89Å; G205-G207 VanDerWaalsContact O-N 3.16Å
208N94.4Very high94.8Very high47 Ų4738.2 Ų38.225%0.25121%0.213SC..G310 helixtrans-108.97.9-177.6-59.4-64.9000112.9R167 T201 R203 G204 G205 M206R167-N208 WeakPolarHBondContact CG-O 3.29Å; T201-N208 PolarHBondContact OG1-O 3.44Å; R203-N208 HydrophobicContact CB-CB 4.17Å; R203-N208 VanDerWaalsContact CB-ND2 3.35Å; R203-N208 WeakPolarHBondContact CB-ND2 3.43Å; R203-N208 WeakPolarHBondContact O-CB 3.45Å; G204-N208 PolarHBondContact O-ND2 3.49Å; G205-N208 PolarHBondContact O-N 3.24Å; M206-N208 PolarHBondContact O-N 2.87Å
209G95.9Very high94.8Very high3 Ų340.6 Ų40.63%0.03122%0.223CC..SBendtrans-105.8-156.317800000113.5F166 R167 M206 I413F166-G209 WeakPolarHBondContact CA-O 3.42Å; F166-G209 WeakPolarHBondContact CD2-O 3.3Å; R167-G209 PolarHBondContact N-O 2.96Å; M206-G209 PolarHBondContact O-N 3.27Å; G209-I413 CarbonylContact C-O 3.58Å; G209-I413 WeakPolarHBondContact CA-O 3.27Å
210L97.9Very high94.8Very high1 Ų139.6 Ų39.61%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-96.1124.9169.8176.767.3000109F86 V89 R165 F166 F189 I212 D412 I413F86-L210 HydrophobicContact CE1-CB 3.92Å; F86-L210 HydrophobicContact CZ-CB 3.73Å; V89-L210 HydrophobicContact CB-CD2 4.25Å; V89-L210 HydrophobicContact CG1-CD2 4.33Å; V89-L210 HydrophobicContact CG2-CD2 4.23Å; R165-L210 WeakPolarHBondContact O-CA 3.08Å; F166-L210 HydrophobicContact CD2-CB 4.33Å; F189-L210 HydrophobicContact CB-CD2 4.25Å; F189-L210 HydrophobicContact CD1-CD1 4.21Å; F189-L210 HydrophobicContact CD1-CD2 3.8Å; F189-L210 HydrophobicContact CD1-CG 4.49Å; F189-L210 HydrophobicContact CD2-CD1 4.18Å; F189-L210 HydrophobicContact CE1-CD1 4Å; F189-L210 HydrophobicContact CE1-CD2 4.29Å; F189-L210 HydrophobicContact CE2-CD1 3.96Å; F189-L210 HydrophobicContact CG-CD1 4.29Å; F189-L210 HydrophobicContact CG-CD2 3.98Å; F189-L210 HydrophobicContact CZ-CD1 3.87Å; L210-I212 HydrophobicContact CD1-CG2 3.75Å; L210-I212 HydrophobicContact CD2-CG2 4.39Å; L210-I212 HydrophobicContact CG-CG2 3.95Å; L210-D412 CarbonylContact O-C 3.34Å; L210-D412 WeakPolarHBondContact O-CA 3.35Å; L210-I413 PolarHBondContact N-O 2.62Å; L210-I413 PolarHBondContact O-N 3.32Å
211D97.3Very high94.8Very high48 Ų4840.6 Ų40.626%0.25722%0.219SC..EExtended strand (participates in β ladder)trans-119.4117.9174167.714.5000107.6C164 R165 D412C164-D211 CarbonylContact C-O 3.54Å; C164-D211 WeakPolarHBondContact CA-O 3.38Å; R165-D211 HydrophobicContact CB-CB 4.33Å; R165-D211 PolarHBondContact N-O 3.16Å; R165-D211 PolarHBondContact O-N 2.05Å; D211-D412 WeakPolarHBondContact CB-OD1 3.13Å
212I97.6Very high94.7Very high0 Ų041.8 Ų41.80%023%0.225CC..EExtended strand (participates in β ladder)trans-129.8141.1178.362.9178.5000111.5L91 L161 D163 C164 F176 L210 L214 A410 L411L91-I212 HydrophobicContact CD2-CD1 3.64Å; L161-I212 HydrophobicContact CD1-CB 4.12Å; L161-I212 HydrophobicContact CD1-CG2 4.19Å; D163-I212 WeakPolarHBondContact O-CA 3.4Å; C164-I212 HydrophobicContact CB-CG2 4.24Å; F176-I212 HydrophobicContact CZ-CG2 4.41Å; L210-I212 HydrophobicContact CD1-CG2 3.75Å; L210-I212 HydrophobicContact CD2-CG2 4.39Å; L210-I212 HydrophobicContact CG-CG2 3.95Å; I212-L214 HydrophobicContact CD1-CD1 3.71Å; I212-L214 HydrophobicContact CD1-CG 4.26Å; I212-L214 HydrophobicContact CG1-CD1 4.33Å; I212-L214 HydrophobicContact CG1-CG 4.49Å; I212-A410 CarbonylContact O-C 3.42Å; I212-A410 VanDerWaalsContact O-CA 3.31Å; I212-A410 WeakPolarHBondContact O-CA 3.02Å; I212-L411 HydrophobicContact CD1-CB 4.37Å; I212-L411 HydrophobicContact CD1-CD2 4.04Å; I212-L411 HydrophobicContact CG1-CB 3.83Å; I212-L411 HydrophobicContact CG1-CD2 4.36Å; I212-L411 HydrophobicContact CG1-CG 4.47Å; I212-L411 PolarHBondContact N-O 2.9Å; I212-L411 PolarHBondContact O-N 3.22Å
213M97.6Very high94.6Very high38 Ų3840.5 Ų40.519%0.18722%0.218CC..EExtended strand (participates in β ladder)trans-113124.4169.6-171.3175.1-69.100109.1L162 D163 I384 V408 L409L162-M213 HydrophobicContact CB-CB 4.28Å; L162-M213 HydrophobicContact CB-CG 4.18Å; L162-M213 WeakPolarHBondContact CB-O 3.3Å; L162-M213 HydrophobicContact CD1-CG 4.18Å; L162-M213 HydrophobicContact CD1-SD 4.49Å; L162-M213 PolarHBondContact N-O 3.25Å; D163-M213 HydrophobicContact CB-CB 4.1Å; D163-M213 PolarHBondContact N-O 3.43Å; D163-M213 PolarHBondContact O-N 3.49Å; M213-I384 HydrophobicContact CE-CD1 3.97Å; M213-V408 HydrophobicContact CG-CG1 3.74Å; M213-V408 HydrophobicContact SD-CG1 3.96Å; M213-L409 CarbonylContact C-O 3.55Å; M213-L409 WeakPolarHBondContact CA-O 3.42Å
214L98.2Very high94.3Very high0 Ų036.1 Ų36.10%021%0.21CC..EExtended strand (participates in β ladder)trans-122.4142.9-174.5-67.9167.2000111.6L91 L157 M160 L161 I212 I237 V408 L409L91-L214 HydrophobicContact CD2-CD1 4.24Å; L157-L214 HydrophobicContact CD1-CD2 4.37Å; M160-L214 HydrophobicContact CB-CD2 4.15Å; M160-L214 CarbonylContact O-C 3.54Å; M160-L214 VanDerWaalsContact O-CA 3.25Å; M160-L214 WeakPolarHBondContact O-CA 3.39Å; L161-L214 HydrophobicContact CB-CD2 4.24Å; L161-L214 HydrophobicContact CD1-CD2 3.75Å; I212-L214 HydrophobicContact CD1-CD1 3.71Å; I212-L214 HydrophobicContact CD1-CG 4.26Å; I212-L214 HydrophobicContact CG1-CD1 4.33Å; I212-L214 HydrophobicContact CG1-CG 4.49Å; L214-I237 HydrophobicContact CD1-CD1 3.54Å; L214-V408 WeakPolarHBondContact O-CA 3.48Å; L214-L409 HydrophobicContact CB-CD1 3.83Å; L214-L409 HydrophobicContact CB-CG 4.07Å; L214-L409 HydrophobicContact CD1-CD1 4.03Å; L214-L409 HydrophobicContact CG-CD1 4.35Å; L214-L409 PolarHBondContact N-O 2.87Å; L214-L409 PolarHBondContact O-N 2.92Å
215D97.8Very high93.8Very high11 Ų1139.3 Ų39.36%0.05922%0.215CC..EExtended strand (participates in β ladder)trans-97.8117.7163.7-174.3-10.7000108.9M160 L162 Q217 Y403 N407M160-D215 WeakPolarHBondContact CG-O 3.44Å; M160-D215 PolarHBondContact O-N 3.49Å; L162-D215 HydrophobicContact CD1-CB 4.08Å; L162-D215 HydrophobicContact CD2-CB 4.13Å; L162-D215 HydrophobicContact CG-CB 4.15Å; D215-Q217 VanDerWaalsContact C-N 3.3Å; D215-Q217 HydrophobicContact CB-CG 4.39Å; D215-Q217 WeakPolarHBondContact OD1-CA 3.47Å; D215-Q217 PolarHBondContact OD1-N 3.29Å; D215-Y403 PolarHBondContact OD1-OH 3.02Å; D215-Y403 VanDerWaalsContact OD1-OH 3.12Å; D215-Y403 WeakPolarHBondContact OD2-CE1 3.38Å; D215-Y403 PolarHBondContact OD2-OH 3.07Å; D215-N407 WeakPolarHBondContact CA-O 3.48Å; D215-N407 WeakPolarHBondContact OD1-CB 3.44Å
216V97.4Very high93.1Very high0 Ų042 Ų420%022%0.217CC..  trans-77.4-16.4179-58.60000113.4N93 Q218 Y221 V235 I237 P259 N407 L409N93-V216 PolarHBondContact ND2-O 2.92Å; V216-Q218 HydrophobicContact CG2-CG 3.98Å; V216-Y221 WeakPolarHBondContact O-CE1 3.43Å; V216-V235 HydrophobicContact CG2-CG1 3.94Å; V216-I237 HydrophobicContact CG1-CG2 4.18Å; V216-P259 HydrophobicContact CG2-CB 4.33Å; V216-P259 HydrophobicContact CG2-CG 4.48Å; V216-N407 HydrophobicContact CG2-CB 4.28Å; V216-N407 WeakPolarHBondContact CG2-O 3.47Å; V216-N407 PolarHBondContact N-O 2.95Å; V216-L409 HydrophobicContact CG1-CD2 3.5Å; V216-L409 HydrophobicContact CG1-CG 4.45Å
217Q97.3Very high92.3Very high16 Ų1643.3 Ų43.38%0.07523%0.226CC..  trans57.458.5176.7-54169.9-25.400113.2H155 D159 D215 E219 E220 Y221H155-Q217 PolarHBondContact ND1-OE1 3.19Å; D159-Q217 VanDerWaalsContact C-NE2 3.32Å; D159-Q217 PolarHBondContact O-NE2 3.44Å; D215-Q217 VanDerWaalsContact C-N 3.3Å; D215-Q217 HydrophobicContact CB-CG 4.39Å; D215-Q217 WeakPolarHBondContact OD1-CA 3.47Å; D215-Q217 PolarHBondContact OD1-N 3.29Å; Q217-E219 PolarHBondContact O-N 2.97Å; Q217-E219 VanDerWaalsContact O-N 3.1Å; Q217-E220 HydrophobicContact CB-CB 4.3Å; Q217-E220 HydrophobicContact CB-CG 4.39Å; Q217-E220 WeakPolarHBondContact O-CB 3.06Å; Q217-E220 PolarHBondContact O-N 2.86Å; Q217-Y221 WeakPolarHBondContact O-CD1 3.41Å
218Q95.4Very high91.3Very high66 Ų6644 Ų4431%0.30822%0.217SC..G310 helixtrans-56.2-27.6177.5-70-166.950.100113V216 E220 Y221 V235 E406 N407V216-Q218 HydrophobicContact CG2-CG 3.98Å; Q218-E220 PolarHBondContact O-N 2.85Å; Q218-Y221 WeakPolarHBondContact O-CB 3.47Å; Q218-Y221 PolarHBondContact O-N 2.96Å; Q218-V235 VanDerWaalsContact CD-CG1 3.48Å; Q218-V235 HydrophobicContact CG-CG1 3.46Å; Q218-V235 VanDerWaalsContact CG-CG1 3.46Å; Q218-V235 HydrophobicContact CG-CG2 4.33Å; Q218-E406 PolarHBondContact NE2-O 3.46Å; Q218-N407 WeakPolarHBondContact CB-OD1 3.5Å; Q218-N407 VanDerWaalsContact CG-OD1 3.28Å; Q218-N407 WeakPolarHBondContact CG-OD1 3.46Å; Q218-N407 PolarHBondContact N-OD1 3.3Å
219E94.3Very high90.1Very high104 Ų10451.7 Ų51.749%0.48625%0.252SS..G310 helixtrans-61.1-21.8174.464.4-173.8-168.600113.5Q217 R399 Y403Q217-E219 PolarHBondContact O-N 2.97Å; Q217-E219 VanDerWaalsContact O-N 3.1Å; E219-R399 IonicContact OE1-CZ 3.32Å; E219-R399 VanDerWaalsContact OE1-CZ 3.32Å; E219-R399 IonicContact OE1-NH1 2.9Å; E219-R399 PolarHBondContact OE1-NH1 3.46Å; E219-R399 IonicContact OE1-NH2 2.85Å; E219-R399 PolarHBondContact OE1-NH2 2.83Å; E219-R399 IonicContact OE2-NH1 3.12Å; E219-R399 PolarHBondContact OE2-NH1 2.84Å; E219-R399 VanDerWaalsContact OE2-NH1 3.12Å; E219-Y403 HydrophobicContact CG-CE2 4.42Å
220E95.5Very high88.7Confident36 Ų3657.9 Ų57.917%0.16828%0.28CS..G310 helixtrans-94.61176.6-72.6-69.8178.600113.6N95 R98 R99 S100 Q217 Q218N95-E220 PolarHBondContact ND2-O 2.97Å; R98-E220 WeakPolarHBondContact CA-O 3.43Å; R98-E220 HydrophobicContact CB-CB 4.26Å; R98-E220 WeakPolarHBondContact CB-OE2 3.31Å; R98-E220 HydrophobicContact CG-CB 4.06Å; R98-E220 HydrophobicContact CG-CG 4.37Å; R99-E220 VanDerWaalsContact CB-O 3.31Å; R99-E220 WeakPolarHBondContact CB-O 3.48Å; R99-E220 PolarHBondContact N-O 3.05Å; R99-E220 PolarHBondContact N-OE2 2.95Å; S100-E220 WeakPolarHBondContact CB-OE1 3.35Å; S100-E220 WeakPolarHBondContact CB-OE2 3.43Å; S100-E220 PolarHBondContact N-OE2 2.72Å; S100-E220 PolarHBondContact OG-OE1 2.74Å; S100-E220 PolarHBondContact OG-OE2 2.88Å; Q217-E220 HydrophobicContact CB-CB 4.3Å; Q217-E220 HydrophobicContact CB-CG 4.39Å; Q217-E220 WeakPolarHBondContact O-CB 3.06Å; Q217-E220 PolarHBondContact O-N 2.86Å; Q218-E220 PolarHBondContact O-N 2.85Å
221Y94.4Very high87.3Confident34 Ų3459.1 Ų59.113%0.13329%0.287CS..SBendtrans-69.9143.8-179.8-79.828.9000111.2N93 N95 V216 Q217 Q218 V235 G236N93-Y221 WeakPolarHBondContact OD1-CE1 3.35Å; N93-Y221 PolarHBondContact OD1-OH 3.28Å; N95-Y221 HydrophobicContact CB-CD1 3.48Å; N95-Y221 VanDerWaalsContact CB-CD1 3.48Å; N95-Y221 HydrophobicContact CB-CD2 4.08Å; N95-Y221 HydrophobicContact CB-CE1 3.46Å; N95-Y221 VanDerWaalsContact CB-CE1 3.46Å; N95-Y221 HydrophobicContact CB-CE2 4.07Å; N95-Y221 HydrophobicContact CB-CG 3.8Å; V216-Y221 WeakPolarHBondContact O-CE1 3.43Å; Q217-Y221 WeakPolarHBondContact O-CD1 3.41Å; Q218-Y221 WeakPolarHBondContact O-CB 3.47Å; Q218-Y221 PolarHBondContact O-N 2.96Å; Y221-V235 HydrophobicContact CD2-CG2 4.37Å; Y221-V235 HydrophobicContact CE2-CB 4.2Å; Y221-V235 HydrophobicContact CE2-CG1 4.02Å; Y221-V235 HydrophobicContact CE2-CG2 3.9Å; Y221-G236 PolarHBondContact OH-N 3.41Å; Y221-G236 PolarHBondContact OH-O 2.88Å
222L91.4Very high86.2Confident28 Ų2859.5 Ų59.515%0.14729%0.293CS..PPolyproline II helixtrans-69.5137.6173.5-60.7-173.5000110.2N95 L97 R99 L102 L115 L129 V224N95-L222 PolarHBondContact OD1-N 2.97Å; L97-L222 HydrophobicContact CB-CD1 4.23Å; L97-L222 WeakPolarHBondContact O-CG 3.45Å; R99-L222 HydrophobicContact CB-CD2 4.13Å; L102-L222 HydrophobicContact CD1-CD1 4.22Å; L102-L222 HydrophobicContact CD1-CD2 3.43Å; L102-L222 VanDerWaalsContact CD1-CD2 3.43Å; L102-L222 HydrophobicContact CD1-CG 4.5Å; L102-L222 HydrophobicContact CG-CD2 4.38Å; L115-L222 HydrophobicContact CD1-CD1 4.49Å; L115-L222 HydrophobicContact CD2-CD1 3.62Å; L129-L222 HydrophobicContact CD2-CD2 4.2Å; L222-V224 PolarHBondContact O-N 2.84Å
223P88.7Confident85.7Confident37 Ų3766.4 Ų66.424%0.2432%0.323CS..PPolyproline II helixtrans-67.7135.9175.628.5-32.3000109.7F125 A128 L129 W225F125-P223 HydrophobicContact CD2-CG 4.41Å; F125-P223 HydrophobicContact CE2-CG 3.75Å; F125-P223 HydrophobicContact CZ-CG 4.06Å; A128-P223 HydrophobicContact CB-CG 4.47Å; L129-P223 HydrophobicContact CD2-CG 3.82Å; P223-W225 PolarHBondContact O-N 3.45Å; P223-W225 VanDerWaalsContact O-N 3.17Å
224V84Confident85.4Confident80 Ų8069.6 Ų69.649%0.48534%0.338SS..  trans-66.5113.6171.8176.10000108.7L222 T231 F233L222-V224 PolarHBondContact O-N 2.84Å; V224-T231 HydrophobicContact CB-CG2 4.21Å; V224-T231 HydrophobicContact CG1-CG2 3.65Å; V224-T231 HydrophobicContact CG2-CG2 3.84Å; V224-F233 HydrophobicContact CG1-CE1 3.93Å; V224-F233 HydrophobicContact CG2-CD1 4.38Å; V224-F233 HydrophobicContact CG2-CE1 4.43Å
225W81.5Confident85.2Confident91 Ų9171.9 Ų71.935%0.34535%0.351SS..  trans-104.5-36.7-176.4-162.3-96.3000113.1L117 E121 A124 F125 A128 P223L117-W225 HydrophobicContact CD2-CB 4.04Å; L117-W225 HydrophobicContact CD2-CD2 4.24Å; L117-W225 HydrophobicContact CD2-CG 3.55Å; E121-W225 PolarHBondContact OE1-NE1 2.79Å; E121-W225 VanDerWaalsContact OE1-NE1 3.09Å; A124-W225 HydrophobicContact CB-CH2 3.78Å; A124-W225 HydrophobicContact CB-CZ2 3.91Å; F125-W225 HydrophobicContact CD2-CB 4.19Å; F125-W225 AromaticContact CD2-CD2 3.8Å; F125-W225 HydrophobicContact CD2-CD2 3.8Å; F125-W225 AromaticContact CD2-CE3 3.68Å; F125-W225 HydrophobicContact CD2-CE3 3.68Å; F125-W225 HydrophobicContact CD2-CG 4.04Å; F125-W225 HydrophobicContact CD2-CZ3 4.32Å; F125-W225 HydrophobicContact CE2-CB 4.07Å; F125-W225 HydrophobicContact CE2-CD2 4.49Å; F125-W225 HydrophobicContact CE2-CE3 4.32Å; F125-W225 HydrophobicContact CE2-CG 4.41Å; A128-W225 HydrophobicContact CB-CZ3 3.78Å; P223-W225 PolarHBondContact O-N 3.45Å; P223-W225 VanDerWaalsContact O-N 3.17Å
226R77Confident85.2Confident83 Ų8371.4 Ų71.431%0.31335%0.349SS..SBendtrans-136.1150.4176.4-70.1-177.1179.2-173.2-6.7109.1G116 D118 E121 N228 T231G116-R226 PolarHBondContact O-NH1 3.3Å; D118-R226 IonicContact OD2-CZ 2.91Å; D118-R226 IonicContact OD2-NH1 3.74Å; D118-R226 PolarHBondContact OD2-NH1 2.9Å; D118-R226 IonicContact OD2-NH2 3.69Å; D118-R226 PolarHBondContact OD2-NH2 2.97Å; E121-R226 IonicContact OE1-CZ 3.67Å; E121-R226 IonicContact OE1-NE 3.62Å; E121-R226 IonicContact OE1-NH2 3.63Å; E121-R226 PolarHBondContact OE1-NH2 2.95Å; E121-R226 IonicContact OE2-CZ 3.36Å; E121-R226 IonicContact OE2-NE 2.79Å; E121-R226 IonicContact OE2-NH2 2.86Å; E121-R226 PolarHBondContact OE2-NH2 3.35Å; R226-N228 PolarHBondContact O-N 3.35Å; R226-T231 PolarHBondContact O-OG1 2.86Å
227D73.9Confident85.2Confident136 Ų13671.4 Ų71.473%0.72735%0.349SS*.  trans-82.390.4169.5-170.113.4000108.5
228N70.8Confident85.2Confident65 Ų6573.7 Ų73.735%0.34836%0.357SS..  trans-113153.9172.4-57.8-19.2000108.8R226 E230 T231R226-N228 PolarHBondContact O-N 3.35Å; N228-E230 PolarHBondContact O-N 3.06Å; N228-T231 PolarHBondContact N-OG1 2.92Å; N228-T231 VanDerWaalsContact N-OG1 3.13Å; N228-T231 VanDerWaalsContact O-CB 3.3Å; N228-T231 WeakPolarHBondContact O-CB 3.44Å; N228-T231 PolarHBondContact O-N 3.19Å; N228-T231 PolarHBondContact O-OG1 3.4Å
229E67.3Low85.3Confident208 Ų20870.6 Ų70.697%0.97234%0.343SS*.THydrogen-bonded Turntrans-54.5-27.1-179.3-63.3-175.7170.800114.1
230E67.2Low85.5Confident134 Ų13466.1 Ų66.163%0.62632%0.321SS*.THydrogen-bonded Turntrans-90.51.5-179.3-61.7-178168.600113.9N228 P232 H352N228-E230 PolarHBondContact O-N 3.06Å; E230-P232 WeakPolarHBondContact O-CD 3.27Å; E230-H352 IonicContact OE1-CE1 3.22Å
231T68.5Low85.6Confident26 Ų2665.6 Ų65.616%0.1632%0.319CS..  trans-77.2113.3-174.6-46.10000110.7V224 R226 N228 F233V224-T231 HydrophobicContact CB-CG2 4.21Å; V224-T231 HydrophobicContact CG1-CG2 3.65Å; V224-T231 HydrophobicContact CG2-CG2 3.84Å; R226-T231 PolarHBondContact O-OG1 2.86Å; N228-T231 PolarHBondContact N-OG1 2.92Å; N228-T231 VanDerWaalsContact N-OG1 3.13Å; N228-T231 VanDerWaalsContact O-CB 3.3Å; N228-T231 WeakPolarHBondContact O-CB 3.44Å; N228-T231 PolarHBondContact O-N 3.19Å; N228-T231 PolarHBondContact O-OG1 3.4Å; T231-F233 HydrophobicContact CG2-CZ 4.41Å; T231-F233 WeakPolarHBondContact O-CD2 3.23Å; T231-F233 PolarHBondContact O-N 3.01Å
232P75Confident85.7Confident57 Ų5764.4 Ų64.437%0.3732%0.315SS..  trans-76.5112.1179.129.9-31000110.1I94 E230 E234I94-P232 HydrophobicContact CG2-CB 3.57Å; I94-P232 HydrophobicContact CG2-CG 4.48Å; E230-P232 WeakPolarHBondContact O-CD 3.27Å; P232-E234 VanDerWaalsContact C-N 3.29Å
233F85.8Confident85.9Confident145 Ų14563.5 Ų63.564%0.63631%0.311SS*.  trans-84.6-9167.2-59.6-75.5000112.6V224 T231V224-F233 HydrophobicContact CG1-CE1 3.93Å; V224-F233 HydrophobicContact CG2-CD1 4.38Å; V224-F233 HydrophobicContact CG2-CE1 4.43Å; T231-F233 HydrophobicContact CG2-CZ 4.41Å; T231-F233 WeakPolarHBondContact O-CD2 3.23Å; T231-F233 PolarHBondContact O-N 3.01Å
234E92.2Very high86.1Confident105 Ų10563.4 Ų63.449%0.49131%0.307SS..  trans-85.4148.4-175.5-61.6170.7176.300111I94 P232 R238I94-E234 HydrophobicContact CD1-CB 3.76Å; I94-E234 HydrophobicContact CG2-CB 4.18Å; I94-E234 WeakPolarHBondContact CG2-O 3.19Å; P232-E234 VanDerWaalsContact C-N 3.29Å; E234-R238 IonicContact OE2-NH2 3.98Å; E234-R238 PolarHBondContact OE2-NH2 3.47Å
235V94.7Very high86.4Confident47 Ų4764 Ų6429%0.28531%0.305SS..  trans-119133.1169.9179.20000109.1V216 Q218 Y221 P259V216-V235 HydrophobicContact CG2-CG1 3.94Å; Q218-V235 VanDerWaalsContact CD-CG1 3.48Å; Q218-V235 HydrophobicContact CG-CG1 3.46Å; Q218-V235 VanDerWaalsContact CG-CG1 3.46Å; Q218-V235 HydrophobicContact CG-CG2 4.33Å; Y221-V235 HydrophobicContact CD2-CG2 4.37Å; Y221-V235 HydrophobicContact CE2-CB 4.2Å; Y221-V235 HydrophobicContact CE2-CG1 4.02Å; Y221-V235 HydrophobicContact CE2-CG2 3.9Å; V235-P259 HydrophobicContact CG1-CG 3.91Å; V235-P259 WeakPolarHBondContact O-CD 3.02Å
236G96.6Very high86.8Confident1 Ų161.7 Ų61.71%0.0130%0.298CS..SBendtrans146.1-156.9178.600000112I94 Y221 V257I94-G236 WeakPolarHBondContact CG1-O 3.45Å; I94-G236 PolarHBondContact N-O 3.42Å; I94-G236 VanDerWaalsContact N-O 3.16Å; Y221-G236 PolarHBondContact OH-N 3.41Å; Y221-G236 PolarHBondContact OH-O 2.88Å; G236-V257 WeakPolarHBondContact CA-O 3.44Å
237I97.5Very high87.5Confident0 Ų059.3 Ų59.30%029%0.293CS..EExtended strand (participates in β ladder)trans-123155.1171.264.5174.1000109.6C92 M160 L214 V216 V239 V257 L409C92-I237 CarbonylContact O-C 3.53Å; C92-I237 WeakPolarHBondContact O-CA 3.45Å; C92-I237 VanDerWaalsContact O-CB 3.3Å; C92-I237 WeakPolarHBondContact O-CB 3.1Å; M160-I237 HydrophobicContact CE-CG2 4.08Å; L214-I237 HydrophobicContact CD1-CD1 3.54Å; V216-I237 HydrophobicContact CG1-CG2 4.18Å; I237-V239 HydrophobicContact CD1-CG2 3.7Å; I237-V239 HydrophobicContact CG1-CG2 3.99Å; I237-V257 HydrophobicContact CD1-CB 4.26Å; I237-V257 HydrophobicContact CG1-CB 3.73Å; I237-V257 HydrophobicContact CG1-CG2 4.29Å; I237-V257 PolarHBondContact N-O 2.92Å; I237-V257 VanDerWaalsContact N-O 3.11Å; I237-V257 PolarHBondContact O-N 2.7Å; I237-L409 HydrophobicContact CD1-CD1 3.93Å; I237-L409 HydrophobicContact CD1-CD2 4.3Å; I237-L409 HydrophobicContact CG1-CD2 4.06Å; I237-L409 HydrophobicContact CG2-CD2 4.33Å
238R97.5Very high88.5Confident65 Ų6553.7 Ų53.725%0.24526%0.264CS..EExtended strand (participates in β ladder)trans-99.9144.9160.7-67.7-165-178.5175.91.3109.7L91 C92 I94 M183 E234 I250 D251 L255L91-R238 VanDerWaalsContact CA-O 3.29Å; L91-R238 WeakPolarHBondContact CA-O 3.38Å; C92-R238 PolarHBondContact N-O 2.92Å; C92-R238 PolarHBondContact O-N 3.46Å; I94-R238 HydrophobicContact CG1-CG 4.28Å; M183-R238 HydrophobicContact CE-CB 4.16Å; M183-R238 HydrophobicContact CE-CG 3.95Å; M183-R238 HydrophobicContact SD-CB 4.02Å; M183-R238 HydrophobicContact SD-CG 4.17Å; E234-R238 IonicContact OE2-NH2 3.98Å; E234-R238 PolarHBondContact OE2-NH2 3.47Å; R238-I250 HydrophobicContact CB-CD1 3.98Å; R238-I250 HydrophobicContact CB-CG1 3.82Å; R238-I250 WeakPolarHBondContact O-CD1 3.48Å; R238-D251 PolarHBondContact NH1-O 2.93Å; R238-L255 CarbonylContact C-O 3.6Å; R238-L255 VanDerWaalsContact CA-O 3.28Å; R238-L255 WeakPolarHBondContact CA-O 3.49Å
239V98Very high89.6Confident1 Ų151.6 Ų51.61%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-131.6132.6-179.1-176.80000109.8V89 T90 L91 I237 G254 L255 V257 L411 I413V89-V239 HydrophobicContact CG1-CG1 3.74Å; T90-V239 CarbonylContact O-C 3.48Å; T90-V239 VanDerWaalsContact O-CA 3.29Å; T90-V239 WeakPolarHBondContact O-CA 3.34Å; L91-V239 HydrophobicContact CB-CG2 4.18Å; I237-V239 HydrophobicContact CD1-CG2 3.7Å; I237-V239 HydrophobicContact CG1-CG2 3.99Å; V239-G254 CarbonylContact O-C 3.49Å; V239-G254 VanDerWaalsContact O-CA 3.25Å; V239-G254 WeakPolarHBondContact O-CA 3.33Å; V239-L255 HydrophobicContact CB-CD1 4.09Å; V239-L255 HydrophobicContact CB-CG 4.07Å; V239-L255 PolarHBondContact N-O 2.95Å; V239-L255 WeakPolarHBondContact O-CG 3.46Å; V239-L255 PolarHBondContact O-N 2.97Å; V239-V257 HydrophobicContact CB-CG2 4.47Å; V239-V257 HydrophobicContact CG2-CG2 3.76Å; V239-L411 HydrophobicContact CG1-CD2 4.22Å; V239-L411 HydrophobicContact CG2-CD2 3.76Å; V239-I413 HydrophobicContact CG1-CD1 4.27Å
240Q97.9Very high90.8Very high9 Ų941.7 Ų41.74%0.04221%0.207CC..EExtended strand (participates in β ladder)trans-121.8129.1171.6-173-177.4-1.500109.4T90 H242 I250T90-Q240 PolarHBondContact N-O 2.54Å; T90-Q240 PolarHBondContact O-N 3.02Å; Q240-H242 HydrophobicContact CG-CB 4.5Å; Q240-I250 HydrophobicContact CB-CB 4.36Å; Q240-I250 HydrophobicContact CB-CD1 4.42Å; Q240-I250 HydrophobicContact CB-CG1 4.09Å
241I97.6Very high91.9Very high25 Ų2537.2 Ų37.213%0.12819%0.187CC..EExtended strand (participates in β ladder)trans-102.7121.3173.5-57.1175.2000106.9P87 V265 Y375 I413P87-I241 HydrophobicContact CB-CG2 3.54Å; P87-I241 HydrophobicContact CG-CG2 3.53Å; I241-V265 HydrophobicContact CD1-CG1 3.69Å; I241-Y375 HydrophobicContact CG2-CD2 4.12Å; I241-Y375 HydrophobicContact CG2-CG 4Å; I241-I413 HydrophobicContact CD1-CD1 4.15Å; I241-I413 HydrophobicContact CD1-CG1 4.4Å; I241-I413 HydrophobicContact CD1-CG2 3.79Å; I241-I413 HydrophobicContact CG1-CD1 4.33Å
242H96.2Very high92.8Very high10 Ų1040.7 Ų40.75%0.04620%0.201CC..EExtended strand (participates in β ladder)trans-149.8167.8-174.160.992.4000111.8A88 T90 Q240 E246A88-H242 PolarHBondContact N-O 2.86Å; A88-H242 PolarHBondContact O-N 3.09Å; A88-H242 VanDerWaalsContact O-N 3.08Å; T90-H242 PolarHBondContact OG1-NE2 2.79Å; Q240-H242 HydrophobicContact CG-CB 4.5Å; H242-E246 PolarHBondContact CE1-O 3.13Å; H242-E246 VanDerWaalsContact CE1-O 3.29Å; H242-E246 PolarHBondContact ND1-O 3.21Å
243S95.2Very high93.6Very high8 Ų842.1 Ų42.16%0.05621%0.205CC..  trans-70.1152.2171.5-152.70000110.2E245 E246S243-E245 VanDerWaalsContact CB-OE2 3.27Å; S243-E245 WeakPolarHBondContact CB-OE2 3.18Å; S243-E245 PolarHBondContact O-N 3.12Å; S243-E245 PolarHBondContact OG-OE2 3.28Å; S243-E246 PolarHBondContact O-N 3.13Å; S243-E246 VanDerWaalsContact O-N 3.11Å
244Q93.8Very high93.9Very high35 Ų3536.2 Ų36.216%0.16419%0.185CC..THydrogen-bonded Turntrans-62.3-27.3-179.6-74.580.36.800113.3F86 A88 N190 L198 E246F86-Q244 PolarHBondContact O-NE2 3.45Å; A88-Q244 HydrophobicContact CB-CG 4.25Å; N190-Q244 PolarHBondContact ND2-NE2 3.48Å; N190-Q244 WeakPolarHBondContact O-CG 3.34Å; N190-Q244 PolarHBondContact O-NE2 2.91Å; L198-Q244 HydrophobicContact CD1-CG 4.44Å; L198-Q244 HydrophobicContact CD2-CB 4.48Å; L198-Q244 HydrophobicContact CD2-CG 3.68Å; Q244-E246 VanDerWaalsContact C-N 3.32Å
245E89.2Confident94Very high94 Ų9432 Ų3244%0.43917%0.166SC..THydrogen-bonded Turntrans-78.4-16.6178.8-52.484.7-177.500113.7S243 P309 T311S243-E245 VanDerWaalsContact CB-OE2 3.27Å; S243-E245 WeakPolarHBondContact CB-OE2 3.18Å; S243-E245 PolarHBondContact O-N 3.12Å; S243-E245 PolarHBondContact OG-OE2 3.28Å; E245-P309 HydrophobicContact CB-CG 3.74Å; E245-P309 HydrophobicContact CG-CG 3.6Å; E245-T311 HydrophobicContact CB-CG2 4.15Å; E245-T311 WeakPolarHBondContact O-CG2 3.4Å
246E90.6Very high94.1Very high41 Ų4131.9 Ų31.919%0.19217%0.174CC..SBendtrans-96.1122.4-175.5-169.8175.1163.300110.5H242 S243 Q244 T311 M313H242-E246 PolarHBondContact CE1-O 3.13Å; H242-E246 VanDerWaalsContact CE1-O 3.29Å; H242-E246 PolarHBondContact ND1-O 3.21Å; S243-E246 PolarHBondContact O-N 3.13Å; S243-E246 VanDerWaalsContact O-N 3.11Å; Q244-E246 VanDerWaalsContact C-N 3.32Å; E246-T311 HydrophobicContact CB-CG2 4.21Å; E246-M313 HydrophobicContact CG-CB 3.86Å; E246-M313 HydrophobicContact CG-CG 4.11Å; E246-M313 WeakPolarHBondContact OE1-CG 3.39Å
247P92.9Very high94.2Very high33 Ų3332 Ų3221%0.21418%0.175CC..PPolyproline II helixtrans-69.9142.5175.828.3-32.7000110.8M313 L317P247-M313 HydrophobicContact CG-CB 4.43Å; P247-L317 HydrophobicContact CB-CD2 4.12Å; P247-L317 HydrophobicContact CG-CD2 4.25Å
248P94.9Very high94.1Very high18 Ų1834.6 Ų34.612%0.11719%0.193CC..PPolyproline II helixtrans-71.9135.8-177.827.9-33.5000112.2T90 I179 T181T90-P248 HydrophobicContact CG2-CB 3.88Å; T90-P248 HydrophobicContact CG2-CG 3.95Å; I179-P248 HydrophobicContact CD1-CG 3.69Å; T181-P248 HydrophobicContact CG2-CG 4.48Å
249I92.5Very high94.2Very high22 Ų2232.4 Ų32.411%0.11319%0.187CC..  trans-122.365.2169.7-50.6-163.3000107.7D251 Q252 L253 M313I249-D251 VanDerWaalsContact C-N 3.28Å; I249-D251 VanDerWaalsContact CG2-OD1 3.24Å; I249-D251 WeakPolarHBondContact CG2-OD1 3.45Å; I249-D251 PolarHBondContact O-N 3.18Å; I249-Q252 HydrophobicContact CG2-CB 4.04Å; I249-Q252 HydrophobicContact CG2-CG 3.97Å; I249-Q252 PolarHBondContact O-N 2.78Å; I249-L253 PolarHBondContact O-N 2.93Å; I249-M313 HydrophobicContact CB-SD 4.43Å; I249-M313 HydrophobicContact CD1-CB 3.77Å; I249-M313 HydrophobicContact CD1-CG 4Å; I249-M313 HydrophobicContact CD1-SD 3.48Å; I249-M313 WeakPolarHBondContact CD1-SD 3.35Å; I249-M313 HydrophobicContact CG1-CB 4.02Å; I249-M313 HydrophobicContact CG1-CG 4.17Å; I249-M313 HydrophobicContact CG1-SD 4.06Å
250I94Very high94.1Very high0 Ų032.8 Ų32.80%019%0.191CC..Hα-helixtrans-70.8-21.3-169.2-165169.4000113.8T90 C92 T181 M183 R238 Q240 Q252 G254T90-I250 HydrophobicContact CG2-CD1 4.3Å; T90-I250 WeakPolarHBondContact O-CD1 3.3Å; C92-I250 HydrophobicContact CB-CD1 4.14Å; C92-I250 VanDerWaalsContact SG-CD1 3.52Å; C92-I250 VanDerWaalsContact SG-CG2 3.54Å; T181-I250 HydrophobicContact CG2-CG2 3.95Å; M183-I250 HydrophobicContact CG-CG2 4.3Å; M183-I250 HydrophobicContact SD-CG2 3.85Å; R238-I250 HydrophobicContact CB-CD1 3.98Å; R238-I250 HydrophobicContact CB-CG1 3.82Å; R238-I250 WeakPolarHBondContact O-CD1 3.48Å; Q240-I250 HydrophobicContact CB-CB 4.36Å; Q240-I250 HydrophobicContact CB-CD1 4.42Å; Q240-I250 HydrophobicContact CB-CG1 4.09Å; I250-Q252 PolarHBondContact O-N 3.2Å; I250-G254 WeakPolarHBondContact O-CA 3.44Å; I250-G254 PolarHBondContact O-N 3Å; I250-G254 VanDerWaalsContact O-N 3.11Å
251D89.1Confident94.1Very high39 Ų3937.4 Ų37.421%0.20921%0.208CC..Hα-helixtrans-65.2-29173.161.3-52.2000112.1R182 M183 R238 I249R182-D251 HydrophobicContact CB-CB 4.27Å; R182-D251 WeakPolarHBondContact CD-OD2 3.29Å; R182-D251 IonicContact CZ-OD2 3.94Å; R182-D251 IonicContact NE-OD2 3.61Å; R182-D251 IonicContact NH1-OD2 3.52Å; R182-D251 PolarHBondContact NH1-OD2 2.03Å; R182-D251 VanDerWaalsContact NH1-OD2 3.13Å; M183-D251 HydrophobicContact CG-CB 4.43Å; R238-D251 PolarHBondContact NH1-O 2.93Å; I249-D251 VanDerWaalsContact C-N 3.28Å; I249-D251 VanDerWaalsContact CG2-OD1 3.24Å; I249-D251 WeakPolarHBondContact CG2-OD1 3.45Å; I249-D251 PolarHBondContact O-N 3.18Å
252Q88.1Confident94.1Very high100 Ų10038.7 Ų38.747%0.46721%0.214SC..Hα-helixtrans-105.3-39.6-178.5-61-178.56.900113.5I249 I250I249-Q252 HydrophobicContact CG2-CB 4.04Å; I249-Q252 HydrophobicContact CG2-CG 3.97Å; I249-Q252 PolarHBondContact O-N 2.78Å; I250-Q252 PolarHBondContact O-N 3.2Å
253L90.7Very high94.2Very high87 Ų8738.2 Ų38.246%0.45521%0.212SC..Hα-helixtrans-111.4-1.8-170.2-59.9179.4000113.7I249 M313I249-L253 PolarHBondContact O-N 2.93Å; L253-M313 HydrophobicContact CD1-CG 4.41Å; L253-M313 HydrophobicContact CD1-SD 3.93Å
254G92.4Very high94.3Very high20 Ų2039.1 Ų39.121%0.20622%0.215CC..PPolyproline II helixtrans-72.4136.917900000112.6V239 I250V239-G254 CarbonylContact O-C 3.49Å; V239-G254 VanDerWaalsContact O-CA 3.25Å; V239-G254 WeakPolarHBondContact O-CA 3.33Å; I250-G254 WeakPolarHBondContact O-CA 3.44Å; I250-G254 PolarHBondContact O-N 3Å; I250-G254 VanDerWaalsContact O-N 3.11Å
255L95.7Very high94.5Very high18 Ų1837.5 Ų37.59%0.09421%0.207CC..EExtended strand (participates in β ladder)trans-81.3143.8166.76992.3000109.9R238 V239 V257 V265 K377 L379R238-L255 CarbonylContact C-O 3.6Å; R238-L255 VanDerWaalsContact CA-O 3.28Å; R238-L255 WeakPolarHBondContact CA-O 3.49Å; V239-L255 HydrophobicContact CB-CD1 4.09Å; V239-L255 HydrophobicContact CB-CG 4.07Å; V239-L255 PolarHBondContact N-O 2.95Å; V239-L255 WeakPolarHBondContact O-CG 3.46Å; V239-L255 PolarHBondContact O-N 2.97Å; L255-V257 HydrophobicContact CD1-CG2 3.37Å; L255-V265 HydrophobicContact CD2-CG1 4.5Å; L255-K377 HydrophobicContact CD2-CD 3.88Å; L255-L379 HydrophobicContact CD1-CD2 4.12Å; L255-L379 HydrophobicContact CD2-CD2 4.46Å
256G96.3Very high94.9Very high44 Ų4433.8 Ų33.845%0.45419%0.192SC..EExtended strand (participates in β ladder)trans-83.7136.8173.600000111.9
257V97.6Very high95.2Very high3 Ų332 Ų322%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-122.1122172.6-175.20000109G236 I237 V239 L255 L409 L411G236-V257 WeakPolarHBondContact CA-O 3.44Å; I237-V257 HydrophobicContact CD1-CB 4.26Å; I237-V257 HydrophobicContact CG1-CB 3.73Å; I237-V257 HydrophobicContact CG1-CG2 4.29Å; I237-V257 PolarHBondContact N-O 2.92Å; I237-V257 VanDerWaalsContact N-O 3.11Å; I237-V257 PolarHBondContact O-N 2.7Å; V239-V257 HydrophobicContact CB-CG2 4.47Å; V239-V257 HydrophobicContact CG2-CG2 3.76Å; L255-V257 HydrophobicContact CD1-CG2 3.37Å; V257-L409 HydrophobicContact CG1-CD1 4.02Å; V257-L409 HydrophobicContact CG1-CD2 4.33Å; V257-L411 HydrophobicContact CG1-CD1 4.46Å; V257-L411 HydrophobicContact CG2-CD1 4.02Å
258S97Very high95.3Very high54 Ų5432.6 Ų32.638%0.37818%0.183SC..  trans-91.8144.4-173.1-55.10000112.5L409S258-L409 WeakPolarHBondContact O-CB 3.36Å
259P97.6Very high95.3Very high20 Ų2032.5 Ų32.513%0.1318%0.181CC..THydrogen-bonded Turntrans-63.2155166.231.9-36.6000112.3V216 V235 Y261 E406V216-P259 HydrophobicContact CG2-CB 4.33Å; V216-P259 HydrophobicContact CG2-CG 4.48Å; V235-P259 HydrophobicContact CG1-CG 3.91Å; V235-P259 WeakPolarHBondContact O-CD 3.02Å; P259-Y261 VanDerWaalsContact C-N 3.27Å; P259-Y261 WeakPolarHBondContact O-CD2 3.47Å; P259-Y261 PolarHBondContact O-N 3.2Å; P259-E406 WeakPolarHBondContact CB-O 3.49Å; P259-E406 VanDerWaalsContact CG-O 3.25Å; P259-E406 WeakPolarHBondContact CG-O 3.49Å
260G97.2Very high95.4Very high8 Ų832.7 Ų32.78%0.08218%0.182CC..THydrogen-bonded Turntrans80.84.1-176.700000114.3I384 A405 V408G260-I384 CarbonylContact C-O 3.51Å; G260-I384 WeakPolarHBondContact CA-O 3.24Å; G260-I384 PolarHBondContact O-N 3.41Å; G260-A405 VanDerWaalsContact CA-O 3.29Å; G260-A405 WeakPolarHBondContact CA-O 3.44Å; G260-V408 PolarHBondContact N-O 2.94Å
261Y98Very high95.4Very high106 Ų10636.5 Ų36.542%0.41620%0.2SC..EExtended strand (participates in β ladder)trans-130.1147.6178.5-63.3-90.4000112.3P259 M381 V382 I384 A410P259-Y261 VanDerWaalsContact C-N 3.27Å; P259-Y261 WeakPolarHBondContact O-CD2 3.47Å; P259-Y261 PolarHBondContact O-N 3.2Å; Y261-M381 HydrophobicContact CD1-CB 4.3Å; Y261-V382 CarbonylContact C-O 3.51Å; Y261-V382 VanDerWaalsContact CA-O 3.24Å; Y261-V382 WeakPolarHBondContact CA-O 2.9Å; Y261-I384 VanDerWaalsContact C-CG2 3.45Å; Y261-A410 PolarHBondContact O-N 2.72Å
262Q97.8Very high95.7Very high52 Ų5235.9 Ų35.924%0.24320%0.196CC..EExtended strand (participates in β ladder)trans-96.3116.7159.8178.8171.7400107.3F264 M381 V382 A410 D412Q262-F264 HydrophobicContact CG-CE1 4.04Å; Q262-F264 HydrophobicContact CG-CE2 4.23Å; Q262-F264 HydrophobicContact CG-CZ 3.75Å; Q262-M381 WeakPolarHBondContact O-CA 3.47Å; Q262-V382 HydrophobicContact CB-CG2 3.8Å; Q262-V382 HydrophobicContact CG-CG2 4.42Å; Q262-V382 PolarHBondContact N-O 3.36Å; Q262-V382 PolarHBondContact O-N 3.3Å; Q262-A410 CarbonylContact C-O 3.48Å; Q262-A410 VanDerWaalsContact CA-O 3.3Å; Q262-A410 WeakPolarHBondContact CA-O 3.3Å; Q262-A410 HydrophobicContact CB-CB 3.88Å; Q262-A410 HydrophobicContact CG-CB 3.78Å; Q262-D412 WeakPolarHBondContact CG-OD2 3.42Å; Q262-D412 PolarHBondContact NE2-OD2 3.42Å
263T98.2Very high96Very high0 Ų033.3 Ų33.30%019%0.19CC..EExtended strand (participates in β ladder)trans-104122.4-177.1-58.60000109.5V265 S380 M381 A410 L411 D412T263-V265 HydrophobicContact CG2-CG2 4.15Å; T263-S380 WeakPolarHBondContact CA-O 3.35Å; T263-M381 HydrophobicContact CG2-CE 3.98Å; T263-M381 HydrophobicContact CG2-CG 4.06Å; T263-A410 PolarHBondContact N-O 3.11Å; T263-L411 HydrophobicContact CG2-CD1 4.3Å; T263-L411 WeakPolarHBondContact O-CA 3.44Å; T263-D412 PolarHBondContact O-N 3.42Å
264F97.9Very high96.2Very high28 Ų2832 Ų3212%0.12318%0.18CC..EExtended strand (participates in β ladder)trans-98.3124.1174.8-53.7-80.9000109M206 Q262 L379 S380 V382 D412 F414M206-F264 HydrophobicContact CE-CD1 4.22Å; M206-F264 HydrophobicContact CE-CE1 4.08Å; Q262-F264 HydrophobicContact CG-CE1 4.04Å; Q262-F264 HydrophobicContact CG-CE2 4.23Å; Q262-F264 HydrophobicContact CG-CZ 3.75Å; F264-L379 WeakPolarHBondContact O-CA 3.33Å; F264-S380 WeakPolarHBondContact CB-OG 3.44Å; F264-S380 PolarHBondContact N-O 2.84Å; F264-S380 PolarHBondContact O-N 3.16Å; F264-V382 HydrophobicContact CE2-CB 4.45Å; F264-V382 HydrophobicContact CE2-CG1 4.05Å; F264-V382 HydrophobicContact CE2-CG2 3.69Å; F264-V382 HydrophobicContact CZ-CG2 4.08Å; F264-D412 CarbonylContact C-O 3.56Å; F264-D412 HydrophobicContact CD1-CB 3.71Å; F264-D412 WeakPolarHBondContact CD1-OD2 3.28Å; F264-D412 HydrophobicContact CE1-CB 4.28Å; F264-D412 VanDerWaalsContact CE1-OD2 3.24Å; F264-D412 WeakPolarHBondContact CE1-OD2 3.19Å; F264-F414 HydrophobicContact CB-CE1 4.09Å; F264-F414 HydrophobicContact CD1-CE1 4.37Å
265V97.8Very high96.2Very high0 Ų032 Ų320%018%0.176CC..EExtended strand (participates in β ladder)trans-114.897.3176.4-170.40000108.3I241 L255 T263 K377 E378 L379 L411 D412 I413 F414I241-V265 HydrophobicContact CD1-CG1 3.69Å; L255-V265 HydrophobicContact CD2-CG1 4.5Å; T263-V265 HydrophobicContact CG2-CG2 4.15Å; V265-K377 HydrophobicContact CG1-CB 3.99Å; V265-E378 WeakPolarHBondContact CA-O 3.23Å; V265-L379 HydrophobicContact CG2-CG 4.49Å; V265-L411 HydrophobicContact CG2-CD1 3.82Å; V265-D412 PolarHBondContact N-O 3.36Å; V265-I413 HydrophobicContact CB-CG1 4.15Å; V265-I413 HydrophobicContact CG2-CG1 4.41Å; V265-F414 PolarHBondContact O-N 2.83Å
266S96.7Very high96.1Very high17 Ų1734 Ų3412%0.11919%0.189CC..EExtended strand (participates in β ladder)trans-77.8123173.2-169.10000108.8K377 E378 E416S266-K377 CarbonylContact O-C 3.46Å; S266-K377 WeakPolarHBondContact O-CA 3.16Å; S266-E378 PolarHBondContact N-O 2.96Å; S266-E378 PolarHBondContact O-N 2.92Å; S266-E416 WeakPolarHBondContact OG-CB 3.43Å
267C96.6Very high95.9Very high2 Ų236 Ų361%0.01419%0.194CC..EExtended strand (participates in β ladder)trans-110.4146.4-177.1-60.70000111.4A376 F414 F415 E416C267-A376 CarbonylContact C-O 3.25Å; C267-A376 VanDerWaalsContact CA-O 3.28Å; C267-A376 WeakPolarHBondContact CA-O 3.21Å; C267-F414 WeakPolarHBondContact CB-O 3.32Å; C267-F414 PolarHBondContact N-O 3.25Å; C267-F415 HydrophobicContact CB-CD1 4.09Å; C267-F415 HydrophobicContact CB-CE1 4.33Å; C267-F415 VanDerWaalsContact O-CA 3.29Å; C267-F415 WeakPolarHBondContact O-CA 3.27Å; C267-F415 WeakPolarHBondContact O-CD1 3.33Å; C267-E416 PolarHBondContact O-N 2.79Å; C267-E416 VanDerWaalsContact O-N 3.12Å
268Q94.6Very high95.7Very high46 Ų4639.2 Ų39.222%0.21522%0.215CC..EExtended strand (participates in β ladder)trans-128.2128.7166.5-168.1-178.632.300108.9E78 Y375 A376E78-Q268 PolarHBondContact OE1-NE2 2.79Å; Q268-Y375 WeakPolarHBondContact O-CA 3.49Å; Q268-A376 HydrophobicContact CB-CB 4.37Å; Q268-A376 PolarHBondContact N-O 2.86Å; Q268-A376 PolarHBondContact O-N 2.83Å
269Q95.1Very high95.5Very high16 Ų1639.1 Ų39.18%0.07521%0.207CC..EExtended strand (participates in β ladder)trans-78.3131178.5-176.3177-14.100109.9T373 Y375 F415 Y420 E421Q269-T373 HydrophobicContact CG-CG2 3.84Å; Q269-Y375 HydrophobicContact CB-CD1 4.23Å; Q269-Y375 HydrophobicContact CB-CE1 4Å; Q269-Y375 HydrophobicContact CG-CD1 4.45Å; Q269-Y375 HydrophobicContact CG-CE1 3.92Å; Q269-F415 HydrophobicContact CB-CE1 4.01Å; Q269-Y420 CarbonylContact O-C 3.6Å; Q269-Y420 VanDerWaalsContact O-CA 3.27Å; Q269-Y420 WeakPolarHBondContact O-CA 3.28Å; Q269-E421 PolarHBondContact O-N 2.9Å
270Q95.1Very high95.3Very high26 Ų2638.8 Ų38.812%0.12121%0.207CC..EExtended strand (participates in β ladder)trans-119.8125.9175-58.3-176.2-50.700109.5L272 T373 R374 A376 E421Q270-L272 HydrophobicContact CB-CD1 4.28Å; Q270-T373 CarbonylContact O-C 3.59Å; Q270-T373 WeakPolarHBondContact O-CA 3.49Å; Q270-R374 HydrophobicContact CB-CB 4.4Å; Q270-R374 PolarHBondContact N-O 2.76Å; Q270-R374 PolarHBondContact O-N 2.86Å; Q270-A376 HydrophobicContact CG-CB 4.37Å; Q270-E421 CarbonylContact C-O 3.29Å; Q270-E421 VanDerWaalsContact CA-O 3.32Å; Q270-E421 WeakPolarHBondContact CA-O 3.27Å; Q270-E421 HydrophobicContact CG-CB 4.19Å; Q270-E421 PolarHBondContact NE2-OE2 2.94Å
271Q94.5Very high94.9Very high80 Ų8045.1 Ų45.137%0.37424%0.239SC..EExtended strand (participates in β ladder)trans-101.4116.2170.8-66.3-174.96.300109Y420 E421 T422 V423Q271-Y420 HydrophobicContact CG-CD2 4.21Å; Q271-E421 PolarHBondContact N-O 2.9Å; Q271-T422 HydrophobicContact CB-CG2 4.38Å; Q271-T422 WeakPolarHBondContact O-CA 3.37Å; Q271-V423 PolarHBondContact O-N 3.5Å
272L94.2Very high94.6Very high27 Ų2740.4 Ų40.414%0.14122%0.222CC..EExtended strand (participates in β ladder)trans-103.1129-179.1-55.692.4000109.5Q270 F274 A371 S372 R374 V423Q270-L272 HydrophobicContact CB-CD1 4.28Å; L272-F274 HydrophobicContact CB-CD2 4.43Å; L272-F274 HydrophobicContact CB-CE2 3.67Å; L272-F274 HydrophobicContact CB-CZ 3.96Å; L272-F274 HydrophobicContact CD2-CE2 4.14Å; L272-F274 HydrophobicContact CD2-CZ 3.73Å; L272-A371 WeakPolarHBondContact O-CA 3.24Å; L272-S372 WeakPolarHBondContact CD1-O 3.48Å; L272-S372 PolarHBondContact N-O 2.89Å; L272-S372 PolarHBondContact O-N 2.88Å; L272-R374 HydrophobicContact CD1-CB 3.54Å; L272-V423 WeakPolarHBondContact CA-O 3.2Å
273S94.5Very high93.9Very high46 Ų4639.6 Ų39.632%0.32222%0.222SC..EExtended strand (participates in β ladder)trans-123.9117.8175.4-179.70000109.4C370 V423 Q425S273-C370 CarbonylContact C-O 3.59Å; S273-C370 VanDerWaalsContact CA-O 3.31Å; S273-C370 WeakPolarHBondContact CA-O 3.33Å; S273-V423 PolarHBondContact N-O 2.88Å; S273-Q425 PolarHBondContact O-N 3.04Å
274F94.8Very high92.6Very high58 Ų5844.8 Ų44.825%0.25426%0.258SS..  trans-111.4157.3-177.6-60.9-75.8000111L272 C282 P369 C370 Q425L272-F274 HydrophobicContact CB-CD2 4.43Å; L272-F274 HydrophobicContact CB-CE2 3.67Å; L272-F274 HydrophobicContact CB-CZ 3.96Å; L272-F274 HydrophobicContact CD2-CE2 4.14Å; L272-F274 HydrophobicContact CD2-CZ 3.73Å; F274-C282 HydrophobicContact CB-CB 3.74Å; F274-C282 PolarHBondContact O-SG 2.96Å; F274-P369 WeakPolarHBondContact CD2-O 3.18Å; F274-C370 PolarHBondContact N-O 2.86Å; F274-Q425 HydrophobicContact CD1-CG 4.26Å
275L93.9Very high90.9Very high22 Ų2246 Ų4612%0.11527%0.273CS..PPolyproline II helixtrans-94.3143.4178.9-68.3172.2000112.9H72 W279 G280 D281 C282 Q425 K427H72-L275 HydrophobicContact CB-CD1 3.72Å; L275-W279 HydrophobicContact CB-CB 3.92Å; L275-W279 HydrophobicContact CD1-CB 3.89Å; L275-W279 HydrophobicContact CD1-CG 4.49Å; L275-G280 CarbonylContact O-C 3.55Å; L275-G280 VanDerWaalsContact O-C 3.25Å; L275-G280 VanDerWaalsContact O-CA 3.24Å; L275-G280 WeakPolarHBondContact O-CA 3.43Å; L275-D281 PolarHBondContact O-N 2.84Å; L275-C282 PolarHBondContact O-N 3.33Å; L275-C282 PolarHBondContact O-SG 2.89Å; L275-Q425 HydrophobicContact CD1-CB 4.06Å; L275-Q425 WeakPolarHBondContact CD2-O 3.31Å; L275-Q425 HydrophobicContact CG-CB 3.85Å; L275-Q425 VanDerWaalsContact CG-O 3.28Å; L275-Q425 WeakPolarHBondContact CG-O 3.48Å; L275-Q425 VanDerWaalsContact N-OE1 3.14Å; L275-K427 HydrophobicContact CD1-CG 4.02Å; L275-K427 HydrophobicContact CD2-CG 4.43Å
276P93.6Very high89Confident59 Ų5949.3 Ų49.338%0.38330%0.296SS..PPolyproline II helixtrans-77167.517531.9-35.7000111.5W279 G280 C282P276-W279 PolarHBondContact O-N 2.87Å; P276-W279 VanDerWaalsContact O-N 3.1Å; P276-G280 CarbonylContact C-O 3.49Å; P276-G280 PolarHBondContact O-N 3.21Å; P276-G280 VanDerWaalsContact O-N 3.13Å; P276-C282 VanDerWaalsContact CA-SG 3.57Å
277P92.4Very high87Confident85 Ų8551.1 Ų51.155%0.55230%0.304SS*.THydrogen-bonded Turntrans-56.4142.1172.2-24.932.8000111.9G280 C282P277-G280 WeakPolarHBondContact CA-O 3.44Å; P277-G280 VanDerWaalsContact CD-O 3.3Å; P277-G280 WeakPolarHBondContact CD-O 3.46Å; P277-G280 VanDerWaalsContact CG-O 3.3Å; P277-G280 WeakPolarHBondContact CG-O 3.45Å; P277-C282 WeakPolarHBondContact CD-O 3.29Å
278P93.3Very high84.7Confident72 Ų7254.3 Ų54.347%0.46832%0.321SS..THydrogen-bonded Turncis-87.5-0.66.635.6-38.3000115.9F70F70-P278 HydrophobicContact CD1-CB 4.21Å; F70-P278 HydrophobicContact CD1-CG 3.54Å; F70-P278 HydrophobicContact CD2-CB 3.89Å; F70-P278 HydrophobicContact CD2-CG 4.08Å; F70-P278 HydrophobicContact CE1-CB 4.35Å; F70-P278 HydrophobicContact CE1-CG 3.5Å; F70-P278 VanDerWaalsContact CE1-CG 3.5Å; F70-P278 HydrophobicContact CE2-CB 4.04Å; F70-P278 HydrophobicContact CE2-CG 4.05Å; F70-P278 HydrophobicContact CG-CB 3.97Å; F70-P278 HydrophobicContact CG-CG 3.84Å; F70-P278 HydrophobicContact CZ-CB 4.26Å; F70-P278 HydrophobicContact CZ-CG 3.76Å
279W92.8Very high82.2Confident51 Ų5158.1 Ų58.119%0.19335%0.35CS..THydrogen-bonded Turntrans-80.5-26.5-177.6-64.7-84.9000113.6F70 H72 L275 P276 K427F70-W279 HydrophobicContact CB-CG 4.39Å; F70-W279 HydrophobicContact CD1-CD2 4.48Å; F70-W279 AromaticContact CD1-CE2 3.96Å; F70-W279 HydrophobicContact CD1-CZ2 4.35Å; F70-W279 AromaticContact CD1-NE1 3.78Å; H72-W279 PolarHBondContact CE1-O 2.78Å; H72-W279 PolarHBondContact ND1-O 2.65Å; L275-W279 HydrophobicContact CB-CB 3.92Å; L275-W279 HydrophobicContact CD1-CB 3.89Å; L275-W279 HydrophobicContact CD1-CG 4.49Å; P276-W279 PolarHBondContact O-N 2.87Å; P276-W279 VanDerWaalsContact O-N 3.1Å; W279-K427 HydrophobicContact CD2-CD 4.09Å; W279-K427 HydrophobicContact CD2-CG 4.18Å; W279-K427 HydrophobicContact CG-CG 4.11Å; W279-K427 HydrophobicContact CH2-CD 4.43Å; W279-K427 HydrophobicContact CZ2-CD 3.87Å
280G91.6Very high79.6Confident13 Ų1362.9 Ų62.913%0.13438%0.376CS..  trans-157.1-164.5178.100000111.8L275 P276 P277L275-G280 CarbonylContact O-C 3.55Å; L275-G280 VanDerWaalsContact O-C 3.25Å; L275-G280 VanDerWaalsContact O-CA 3.24Å; L275-G280 WeakPolarHBondContact O-CA 3.43Å; P276-G280 CarbonylContact C-O 3.49Å; P276-G280 PolarHBondContact O-N 3.21Å; P276-G280 VanDerWaalsContact O-N 3.13Å; P277-G280 WeakPolarHBondContact CA-O 3.44Å; P277-G280 VanDerWaalsContact CD-O 3.3Å; P277-G280 WeakPolarHBondContact CD-O 3.46Å; P277-G280 VanDerWaalsContact CG-O 3.3Å; P277-G280 WeakPolarHBondContact CG-O 3.45Å
281D89.5Confident77.1Confident142 Ų14269.6 Ų69.676%0.75940%0.401SS*.  trans-11918.8-170.7-67.8-38.9000113.7L275L275-D281 PolarHBondContact O-N 2.84Å
282C91.5Very high73.9Confident7 Ų773.9 Ų73.95%0.04742%0.421CS..EExtended strand (participates in β ladder)trans-82.5156.7-17983.70000113.1F274 L275 P276 P277 N368 C370F274-C282 HydrophobicContact CB-CB 3.74Å; F274-C282 PolarHBondContact O-SG 2.96Å; L275-C282 PolarHBondContact O-N 3.33Å; L275-C282 PolarHBondContact O-SG 2.89Å; P276-C282 VanDerWaalsContact CA-SG 3.57Å; P277-C282 WeakPolarHBondContact CD-O 3.29Å; C282-N368 CarbonylContact C-O 3.52Å; C282-N368 WeakPolarHBondContact CA-O 3.39Å; C282-C370 HydrophobicContact CB-CB 3.87Å; C282-C370 WeakPolarHBondContact CB-SG 3.3Å; C282-C370 WeakPolarHBondContact SG-CA 2.96Å; C282-C370 WeakPolarHBondContact SG-CB 3.17Å; C282-C370 CovalentContact SG-SG 2.03Å; C282-C370 PolarHBondContact SG-SG 3.48Å
283S83Confident70.9Confident35 Ų3577.7 Ų77.725%0.24545%0.447CS..EExtended strand (participates in β ladder)trans-128.9140.4171.7-167.70000111.2A285 N368 P369 C370S283-A285 PolarHBondContact OG-N 2.9Å; S283-N368 PolarHBondContact N-O 3.18Å; S283-P369 WeakPolarHBondContact O-CA 3.04Å; S283-C370 VanDerWaalsContact C-SG 3.52Å; S283-C370 PolarHBondContact N-SG 3.49Å; S283-C370 PolarHBondContact O-N 2.82Å
284S70.8Confident67.7Low108 Ų10883.2 Ų83.276%0.75547%0.468SS*.  trans-104.24171.156.40000112.7S286S284-S286 PolarHBondContact O-N 2.03Å
285A62.1Low64.7Low54 Ų5485.8 Ų85.845%0.44649%0.491SS..  trans-63.3125.2-179.600000109.7S283 Y310S283-A285 PolarHBondContact OG-N 2.9Å; A285-Y310 WeakPolarHBondContact O-CB 3.01Å; A285-Y310 WeakPolarHBondContact O-CD2 3.45Å
286S57.8Low61.8Low70 Ų7089.9 Ų89.949%0.4952%0.521SS..  trans-55.3154.7167.553.40000109.4S284 N288S284-S286 PolarHBondContact O-N 2.03Å; S286-N288 PolarHBondContact O-N 3.36Å
287L54.9Low58.9Low55 Ų5593 Ų9329%0.28854%0.535SS..SBendtrans-60.678.9177.2-95.4109000110.5Y310 A318L287-Y310 HydrophobicContact CD1-CD2 3.66Å; L287-Y310 HydrophobicContact CD1-CE2 4.38Å; L287-Y310 HydrophobicContact CD1-CG 4.4Å; L287-Y310 HydrophobicContact CG-CD2 3.98Å; L287-Y310 HydrophobicContact CG-CE2 4.46Å; L287-A318 HydrophobicContact CD2-CB 3.38Å
288N47.9Very low56.7Low69 Ų6995.2 Ų95.237%0.36955%0.549SS..  trans170.6117.6139.6-103.6-59.5000113.7S286 Y291S286-N288 PolarHBondContact O-N 3.36Å; N288-Y291 HydrophobicContact CB-CG 4.37Å; N288-Y291 VanDerWaalsContact CB-N 3.3Å; N288-Y291 VanDerWaalsContact ND2-CB 3.27Å; N288-Y291 WeakPolarHBondContact ND2-CB 3.28Å; N288-Y291 PolarHBondContact OD1-N 2.83Å
289P43Very low54.5Low125 Ų125100.1 Ų100.181%0.81257%0.571SS**SBendtrans-75.8-12150.3-15.230.2000112.9
290N40.9Very low51.7Low117 Ų117100 Ų10063%0.62658%0.584SS**SBendtrans-125.218.7-172.7-68-14.3000114.2
291Y42.6Very low48.8Very low167 Ų167104.4 Ų104.466%0.65561%0.614SS**  trans-107.487.3164.7-161.8-95.9000103N288N288-Y291 HydrophobicContact CB-CG 4.37Å; N288-Y291 VanDerWaalsContact CB-N 3.3Å; N288-Y291 VanDerWaalsContact ND2-CB 3.27Å; N288-Y291 WeakPolarHBondContact ND2-CB 3.28Å; N288-Y291 PolarHBondContact OD1-N 2.83Å
292E27.6Very low46.1Very low169 Ų169103.3 Ų103.379%0.7961%0.614SS**  trans-49.3127.4151.5-66.2-172.9142.100105.5E294E292-E294 VanDerWaalsContact C-N 3.29Å; E292-E294 PolarHBondContact O-N 2.91Å
293P31.1Very low43.1Very low107 Ų107108.1 Ų108.170%0.69565%0.648SS**  trans-54.3110.8159.3-8.622.2000103.9
294E27.3Very low40.7Very low163 Ų163112.6 Ų112.676%0.76268%0.676SS**  trans-41121.9162.7-85.5-79.3136.700105.4E292 S296E292-E294 VanDerWaalsContact C-N 3.29Å; E292-E294 PolarHBondContact O-N 2.91Å; E294-S296 PolarHBondContact O-N 3.02Å
295P32.1Very low38.9Very low112 Ų112112.1 Ų112.173%0.72767%0.673SS**  trans-51.1114.5-179.8-2129.1000105.5D297P295-D297 VanDerWaalsContact C-N 3.34Å; P295-D297 PolarHBondContact O-N 3.32Å
296S32.8Very low38.3Very low108 Ų108115.5 Ų115.576%0.75569%0.69SS**  trans-52.5108.9175.241.70000105.7E294E294-S296 PolarHBondContact O-N 3.02Å
297D31.8Very low38.1Very low124 Ų124116 Ų11666%0.66369%0.693SS**  trans-46.1127.5173.8-121.8-24.4000105.9P295 L299 G300P295-D297 VanDerWaalsContact C-N 3.34Å; P295-D297 PolarHBondContact O-N 3.32Å; D297-L299 PolarHBondContact O-N 2.96Å; D297-G300 PolarHBondContact O-N 2.82Å
298P46.9Very low38.7Very low131 Ų131117.8 Ų117.885%0.85171%0.708SS**THydrogen-bonded Turntrans-59.5-0.5-176.5-23.933.6000114.1
299L47.3Very low40.1Very low176 Ų176118.2 Ų118.292%0.92172%0.715SS**THydrogen-bonded Turntrans-133.314.7-177.4-140.471.8000114D297D297-L299 PolarHBondContact O-N 2.96Å
300G33.1Very low42.2Very low47 Ų47113.8 Ų113.849%0.48568%0.683SS.*SBendtrans-106.5127178.800000112.4D297D297-G300 PolarHBondContact O-N 2.82Å
301S31.7Very low44.5Very low107 Ų107109.1 Ų109.175%0.74866%0.658SS**  trans-50.2138.2173.746.30000112S303S301-S303 PolarHBondContact O-N 2.99Å
302P33Very low46.7Very low119 Ų119102.8 Ų102.877%0.77364%0.636SS**  trans-62.2114.1179.325.5-31.2000109.2P304P302-P304 VanDerWaalsContact O-CD 3.23Å; P302-P304 WeakPolarHBondContact O-CD 3.33Å; P302-P304 VanDerWaalsContact O-N 3.16Å
303S28.1Very low49.7Very low108 Ų10895.2 Ų95.276%0.75560%0.6SS**  trans-59.8114166.7-78.70000108.4S301 S305S301-S303 PolarHBondContact O-N 2.99Å; S303-S305 PolarHBondContact O-N 3.23Å; S303-S305 VanDerWaalsContact O-N 3.09Å
304P31.6Very low52.5Low128 Ų12890.8 Ų90.883%0.83157%0.574SS**  trans-88.482-176.334.6-27.8000107.6P302P302-P304 VanDerWaalsContact O-CD 3.23Å; P302-P304 WeakPolarHBondContact O-CD 3.33Å; P302-P304 VanDerWaalsContact O-N 3.16Å
305S34.1Very low55.5Low98 Ų9883.9 Ų83.969%0.68554%0.544SS*.  trans-142.6104159.151.90000108.8S303 S307S303-S305 PolarHBondContact O-N 3.23Å; S303-S305 VanDerWaalsContact O-N 3.09Å; S305-S307 PolarHBondContact O-N 2.75Å
306P48.5Very low58.3Low125 Ų12584 Ų8481%0.81253%0.53SS*.PPolyproline II helixtrans-55.2124.3164.5-14.426.9000106.9
307S54Low61.1Low80 Ų8080.4 Ų80.456%0.55950%0.501SS*.PPolyproline II helixtrans-52133.317153.90000108.7S305S305-S307 PolarHBondContact O-N 2.75Å
308P66.5Low63.9Low93 Ų9376.3 Ų76.360%0.60449%0.485SS*.PPolyproline II helixtrans-56.9147.6-179.424-33.5000110.2
309P78.5Confident66.1Low79 Ų7970.8 Ų70.851%0.51345%0.449SS..PPolyproline II helixtrans-62.1152-178.727-33000110.5E245 T311E245-P309 HydrophobicContact CB-CG 3.74Å; E245-P309 HydrophobicContact CG-CG 3.6Å; P309-T311 PolarHBondContact O-N 3.3Å
310Y86Confident68.2Low32 Ų3263.3 Ų63.313%0.12541%0.409CS..PPolyproline II helixtrans-66.7122.9-176.4176.9-93.2000111.3A285 L287 C315 P367 P369A285-Y310 WeakPolarHBondContact O-CB 3.01Å; A285-Y310 WeakPolarHBondContact O-CD2 3.45Å; L287-Y310 HydrophobicContact CD1-CD2 3.66Å; L287-Y310 HydrophobicContact CD1-CE2 4.38Å; L287-Y310 HydrophobicContact CD1-CG 4.4Å; L287-Y310 HydrophobicContact CG-CD2 3.98Å; L287-Y310 HydrophobicContact CG-CE2 4.46Å; Y310-C315 HydrophobicContact CE2-CB 3.58Å; Y310-P367 WeakPolarHBondContact CE1-O 3.49Å; Y310-P367 VanDerWaalsContact OH-CD 3.31Å; Y310-P367 WeakPolarHBondContact OH-CD 3.25Å; Y310-P367 PolarHBondContact OH-O 2.82Å; Y310-P369 HydrophobicContact CD1-CB 3.91Å; Y310-P369 HydrophobicContact CE1-CB 4.14Å
311T89.9Confident71.1Confident18 Ų1861.9 Ų61.911%0.1139%0.392CS..  trans-125.9152.2171.462.60000109.9E245 E246 P309 M313 G314 C315E245-T311 HydrophobicContact CB-CG2 4.15Å; E245-T311 WeakPolarHBondContact O-CG2 3.4Å; E246-T311 HydrophobicContact CB-CG2 4.21Å; P309-T311 PolarHBondContact O-N 3.3Å; T311-M313 VanDerWaalsContact C-N 3.34Å; T311-M313 PolarHBondContact O-N 2.85Å; T311-G314 PolarHBondContact O-N 3.45Å; T311-G314 WeakPolarHBondContact OG1-CA 3.5Å; T311-G314 PolarHBondContact OG1-N 2.92Å; T311-G314 VanDerWaalsContact OG1-N 3.12Å; T311-C315 PolarHBondContact O-N 3.06Å
312L88.6Confident74Confident35 Ų3561.6 Ų61.618%0.18337%0.374CS..Hα-helixtrans-61.5-44.3-178.8-175.165.3000111.3C315 R316 C366L312-C315 PolarHBondContact O-N 3.2Å; L312-R316 WeakPolarHBondContact O-CG 3.49Å; L312-R316 PolarHBondContact O-N 3.07Å; L312-R316 VanDerWaalsContact O-N 3.16Å; L312-C366 HydrophobicContact CD1-CB 3.92Å
313M90.5Very high76.9Confident10 Ų1057.8 Ų57.85%0.04935%0.345CS..Hα-helixtrans-69.8-36.5177.8-64.8-54.3105.300112E246 P247 I249 L253 T311 C315 R316 L317E246-M313 HydrophobicContact CG-CB 3.86Å; E246-M313 HydrophobicContact CG-CG 4.11Å; E246-M313 WeakPolarHBondContact OE1-CG 3.39Å; P247-M313 HydrophobicContact CG-CB 4.43Å; I249-M313 HydrophobicContact CB-SD 4.43Å; I249-M313 HydrophobicContact CD1-CB 3.77Å; I249-M313 HydrophobicContact CD1-CG 4Å; I249-M313 HydrophobicContact CD1-SD 3.48Å; I249-M313 WeakPolarHBondContact CD1-SD 3.35Å; I249-M313 HydrophobicContact CG1-CB 4.02Å; I249-M313 HydrophobicContact CG1-CG 4.17Å; I249-M313 HydrophobicContact CG1-SD 4.06Å; L253-M313 HydrophobicContact CD1-CG 4.41Å; L253-M313 HydrophobicContact CD1-SD 3.93Å; T311-M313 VanDerWaalsContact C-N 3.34Å; T311-M313 PolarHBondContact O-N 2.85Å; M313-C315 PolarHBondContact O-N 3.14Å; M313-R316 PolarHBondContact O-N 2.83Å; M313-L317 WeakPolarHBondContact O-CB 3.17Å; M313-L317 PolarHBondContact O-N 2.83Å
314G90.7Very high80.1Confident13 Ų1352.7 Ų52.713%0.13431%0.309CS..Hα-helixtrans-60.1-43.2172.300000112.9T311 R316 L317 A318T311-G314 PolarHBondContact O-N 3.45Å; T311-G314 WeakPolarHBondContact OG1-CA 3.5Å; T311-G314 PolarHBondContact OG1-N 2.92Å; T311-G314 VanDerWaalsContact OG1-N 3.12Å; G314-R316 PolarHBondContact O-N 3.07Å; G314-L317 PolarHBondContact O-N 3.03Å; G314-A318 WeakPolarHBondContact O-CB 3.26Å; G314-A318 PolarHBondContact O-N 3.09Å
315C90.8Very high83.2Confident19 Ų1947.7 Ų47.713%0.12828%0.279CS..Hα-helixtrans-59-46.3173.6179.20000112.4Y310 T311 L312 M313 A318 C319 C366Y310-C315 HydrophobicContact CE2-CB 3.58Å; T311-C315 PolarHBondContact O-N 3.06Å; L312-C315 PolarHBondContact O-N 3.2Å; M313-C315 PolarHBondContact O-N 3.14Å; C315-A318 PolarHBondContact O-N 3.28Å; C315-C319 VanDerWaalsContact O-CB 3.3Å; C315-C319 WeakPolarHBondContact O-CB 3.19Å; C315-C319 PolarHBondContact O-N 3.13Å; C315-C366 HydrophobicContact CB-CB 3.75Å; C315-C366 WeakPolarHBondContact CB-SG 3.45Å; C315-C366 VanDerWaalsContact SG-CA 3.56Å; C315-C366 WeakPolarHBondContact SG-CB 3.28Å; C315-C366 CovalentContact SG-SG 2.05Å; C315-C366 PolarHBondContact SG-SG 3.02Å
316R90.2Very high86Confident115 Ų11551.7 Ų51.743%0.43428%0.278SS..Hα-helixtrans-63.2-47.4179.1-71.4-180179.2-170.4-0.1111.6L312 M313 G314 A318 C319 E320 C366L312-R316 WeakPolarHBondContact O-CG 3.49Å; L312-R316 PolarHBondContact O-N 3.07Å; L312-R316 VanDerWaalsContact O-N 3.16Å; M313-R316 PolarHBondContact O-N 2.83Å; G314-R316 PolarHBondContact O-N 3.07Å; R316-A318 PolarHBondContact O-N 3.21Å; R316-C319 PolarHBondContact O-N 3.41Å; R316-E320 WeakPolarHBondContact O-CB 3.1Å; R316-E320 PolarHBondContact O-N 2.98Å; R316-C366 HydrophobicContact CG-CB 4.46Å
317L91.4Very high88.3Confident31 Ų3151.2 Ų51.216%0.16226%0.264CS..Hα-helixtrans-61.3-43.1177.9-179.960.2000112P247 M313 G314 E320 T321 Y334 P336P247-L317 HydrophobicContact CB-CD2 4.12Å; P247-L317 HydrophobicContact CG-CD2 4.25Å; M313-L317 WeakPolarHBondContact O-CB 3.17Å; M313-L317 PolarHBondContact O-N 2.83Å; G314-L317 PolarHBondContact O-N 3.03Å; L317-E320 PolarHBondContact O-N 3.18Å; L317-T321 VanDerWaalsContact O-CB 3.29Å; L317-T321 WeakPolarHBondContact O-CB 3.38Å; L317-T321 PolarHBondContact O-N 3.11Å; L317-T321 PolarHBondContact O-OG1 3.23Å; L317-Y334 HydrophobicContact CD1-CD2 3.98Å; L317-Y334 HydrophobicContact CD1-CE2 4.09Å; L317-P336 HydrophobicContact CD2-CG 4.42Å; L317-P336 HydrophobicContact CG-CG 4.39Å
318A90.7Very high90.3Very high38 Ų3848.1 Ų48.131%0.31424%0.242SC..Hα-helixtrans-66.8-39.6176.500000112.1L287 G314 C315 R316 R322L287-A318 HydrophobicContact CD2-CB 3.38Å; G314-A318 WeakPolarHBondContact O-CB 3.26Å; G314-A318 PolarHBondContact O-N 3.09Å; C315-A318 PolarHBondContact O-N 3.28Å; R316-A318 PolarHBondContact O-N 3.21Å; A318-R322 VanDerWaalsContact O-CB 3.29Å; A318-R322 WeakPolarHBondContact O-CB 3.14Å; A318-R322 PolarHBondContact O-N 2.52Å
319C92.2Very high91.6Very high16 Ų1646 Ų4611%0.10824%0.237CC..Hα-helixtrans-63.1-46.5176.3-173.80000111.5C315 R316 R322 Y323 C364C315-C319 VanDerWaalsContact O-CB 3.3Å; C315-C319 WeakPolarHBondContact O-CB 3.19Å; C315-C319 PolarHBondContact O-N 3.13Å; R316-C319 PolarHBondContact O-N 3.41Å; C319-R322 PolarHBondContact O-N 3.17Å; C319-Y323 WeakPolarHBondContact O-CB 3.37Å; C319-Y323 PolarHBondContact O-N 3.08Å; C319-C364 HydrophobicContact CB-CB 3.81Å; C319-C364 WeakPolarHBondContact CB-SG 3.19Å; C319-C364 VanDerWaalsContact SG-CA 3.51Å; C319-C364 WeakPolarHBondContact SG-CB 3.35Å; C319-C364 CovalentContact SG-SG 2.04Å; C319-C364 PolarHBondContact SG-SG 2.87Å
320E92.6Very high92.5Very high18 Ų1842.3 Ų42.38%0.08421%0.213CC..Hα-helixtrans-61.7-49.8177.5-173.8177.1142.300111.6R182 R316 L317 R322 Y323 V324 Y334 M335 I355 M358R182-E320 IonicContact CZ-OE1 2.83Å; R182-E320 IonicContact CZ-OE2 3.47Å; R182-E320 IonicContact NE-OE1 3.7Å; R182-E320 IonicContact NH2-OE1 3.03Å; R182-E320 PolarHBondContact NH2-OE1 3.29Å; R182-E320 IonicContact NH2-OE2 3.3Å; R182-E320 PolarHBondContact NH2-OE2 2.9Å; R316-E320 WeakPolarHBondContact O-CB 3.1Å; R316-E320 PolarHBondContact O-N 2.98Å; L317-E320 PolarHBondContact O-N 3.18Å; E320-R322 VanDerWaalsContact C-N 3.31Å; E320-R322 PolarHBondContact O-N 2.79Å; E320-Y323 PolarHBondContact O-N 2.91Å; E320-Y323 VanDerWaalsContact O-N 3.1Å; E320-V324 PolarHBondContact O-N 2.83Å; E320-Y334 PolarHBondContact OE1-OH 3.23Å; E320-M335 HydrophobicContact CG-CE 3.72Å; E320-M335 VanDerWaalsContact OE1-CE 3.3Å; E320-M335 WeakPolarHBondContact OE1-CE 3.29Å; E320-I355 HydrophobicContact CG-CG1 4.24Å; E320-M358 HydrophobicContact CB-CE 3.96Å; E320-M358 HydrophobicContact CB-SD 4.22Å; E320-M358 HydrophobicContact CG-CE 3.8Å; E320-M358 HydrophobicContact CG-SD 4.31Å
321T93.5Very high92.9Very high18 Ų1843.2 Ų43.211%0.1122%0.216CC..Hα-helixtrans-52.2-50.2174.5-60.10000111.2L317 Y323 V324 A325 M335 P336L317-T321 VanDerWaalsContact O-CB 3.29Å; L317-T321 WeakPolarHBondContact O-CB 3.38Å; L317-T321 PolarHBondContact O-N 3.11Å; L317-T321 PolarHBondContact O-OG1 3.23Å; T321-Y323 VanDerWaalsContact C-N 3.33Å; T321-Y323 PolarHBondContact O-N 2.94Å; T321-V324 PolarHBondContact O-N 2.79Å; T321-A325 WeakPolarHBondContact O-CB 3.4Å; T321-A325 PolarHBondContact O-N 3.26Å; T321-M335 HydrophobicContact CG2-CB 4.1Å; T321-M335 WeakPolarHBondContact OG1-CB 3.45Å; T321-P336 WeakPolarHBondContact CG2-O 3.43Å; T321-P336 WeakPolarHBondContact OG1-CD 3.36Å
322R93.1Very high93.2Very high100 Ų10042.6 Ų42.638%0.37721%0.212SC..Hα-helixtrans-64.2-38.1179.7-17717566.8175.1-1.4112A318 C319 E320 R326A318-R322 VanDerWaalsContact O-CB 3.29Å; A318-R322 WeakPolarHBondContact O-CB 3.14Å; A318-R322 PolarHBondContact O-N 2.52Å; C319-R322 PolarHBondContact O-N 3.17Å; E320-R322 VanDerWaalsContact C-N 3.31Å; E320-R322 PolarHBondContact O-N 2.79Å; R322-R326 HydrophobicContact CG-CG 4.47Å; R322-R326 VanDerWaalsContact O-CB 3.29Å; R322-R326 WeakPolarHBondContact O-CB 3.48Å; R322-R326 WeakPolarHBondContact O-CG 3.15Å; R322-R326 PolarHBondContact O-N 2.77Å
323Y93.7Very high93.5Very high40 Ų4041.7 Ų41.716%0.15721%0.208CC..Hα-helixtrans-67.3-47-179.9-172.6-85.9000111.3C319 E320 T321 R326 K327 A354 M358C319-Y323 WeakPolarHBondContact O-CB 3.37Å; C319-Y323 PolarHBondContact O-N 3.08Å; E320-Y323 PolarHBondContact O-N 2.91Å; E320-Y323 VanDerWaalsContact O-N 3.1Å; T321-Y323 VanDerWaalsContact C-N 3.33Å; T321-Y323 PolarHBondContact O-N 2.94Å; Y323-R326 PolarHBondContact O-N 3.19Å; Y323-K327 HydrophobicContact CD1-CD 4.41Å; Y323-K327 HydrophobicContact CE1-CD 3.71Å; Y323-K327 HydrophobicContact CE1-CG 4.34Å; Y323-K327 VanDerWaalsContact CZ-CE 3.42Å; Y323-K327 PolarHBondContact O-N 2.79Å; Y323-K327 VanDerWaalsContact O-N 3.09Å; Y323-K327 VanDerWaalsContact OH-CE 3.31Å; Y323-K327 WeakPolarHBondContact OH-CE 3.49Å; Y323-K327 PolarHBondContact OH-NZ 2.82Å; Y323-A354 HydrophobicContact CD1-CB 4.41Å; Y323-A354 HydrophobicContact CE1-CB 4.06Å; Y323-A354 WeakPolarHBondContact CE1-O 3.34Å; Y323-M358 HydrophobicContact CD1-CB 3.91Å; Y323-M358 HydrophobicContact CD1-CG 4.23Å; Y323-M358 HydrophobicContact CD1-SD 4.25Å; Y323-M358 HydrophobicContact CD2-CB 4.43Å; Y323-M358 HydrophobicContact CD2-CG 4.12Å; Y323-M358 HydrophobicContact CE1-CB 3.74Å; Y323-M358 HydrophobicContact CE1-CG 4.42Å; Y323-M358 HydrophobicContact CE2-CB 4.27Å; Y323-M358 HydrophobicContact CE2-CG 4.31Å; Y323-M358 HydrophobicContact CG-CB 4.24Å; Y323-M358 HydrophobicContact CG-CG 4.06Å; Y323-M358 HydrophobicContact CG-SD 3.97Å
324V95.4Very high93.6Very high0 Ų043 Ų430%021%0.213CC..Hα-helixtrans-67.3-44.6177.6178.20000110.9E320 T321 R326 K327 C328 C330 M335 A351 I355E320-V324 PolarHBondContact O-N 2.83Å; T321-V324 PolarHBondContact O-N 2.79Å; V324-R326 VanDerWaalsContact C-N 3.32Å; V324-R326 PolarHBondContact O-N 3.12Å; V324-K327 PolarHBondContact O-N 3.19Å; V324-C328 HydrophobicContact CG1-CB 4.33Å; V324-C328 WeakPolarHBondContact O-CB 3.45Å; V324-C328 PolarHBondContact O-N 2.8Å; V324-C330 CarbonylContact C-O 3.33Å; V324-M335 HydrophobicContact CB-CE 4.32Å; V324-M335 HydrophobicContact CB-SD 4.18Å; V324-M335 HydrophobicContact CG1-SD 4.45Å; V324-M335 HydrophobicContact CG2-CE 3.91Å; V324-M335 HydrophobicContact CG2-SD 4.42Å; V324-A351 HydrophobicContact CG1-CB 4.05Å; V324-I355 HydrophobicContact CG2-CD1 4.17Å; V324-I355 HydrophobicContact CG2-CG1 3.64Å
325A95.6Very high93.8Very high24 Ų2442.5 Ų42.520%0.19821%0.207CC..Hα-helixtrans-58.3-42.9176.600000112.3T321 G329 C330 V339T321-A325 WeakPolarHBondContact O-CB 3.4Å; T321-A325 PolarHBondContact O-N 3.26Å; A325-G329 VanDerWaalsContact O-CA 3.23Å; A325-G329 WeakPolarHBondContact O-CA 3.27Å; A325-G329 PolarHBondContact O-N 2.9Å; A325-C330 WeakPolarHBondContact CA-O 3.2Å; A325-C330 PolarHBondContact N-O 3Å; A325-V339 HydrophobicContact CB-CG1 4.49Å; A325-V339 HydrophobicContact CB-CG2 4.3Å
326R94.5Very high93.8Very high181 Ų18144.8 Ų44.868%0.68322%0.222SC*.Hα-helixtrans-67.7-36.7177.8-76.1175179-167.5-3113.4R322 Y323 V324R322-R326 HydrophobicContact CG-CG 4.47Å; R322-R326 VanDerWaalsContact O-CB 3.29Å; R322-R326 WeakPolarHBondContact O-CB 3.48Å; R322-R326 WeakPolarHBondContact O-CG 3.15Å; R322-R326 PolarHBondContact O-N 2.77Å; Y323-R326 PolarHBondContact O-N 3.19Å; V324-R326 VanDerWaalsContact C-N 3.32Å; V324-R326 PolarHBondContact O-N 3.12Å
327K95Very high93.8Very high115 Ų11541.5 Ų41.550%0.522%0.224SC..Hα-helixtrans-86.2-38.3-177-76.4-154175.1-174.30114Y323 V324 A354Y323-K327 HydrophobicContact CD1-CD 4.41Å; Y323-K327 HydrophobicContact CE1-CD 3.71Å; Y323-K327 HydrophobicContact CE1-CG 4.34Å; Y323-K327 VanDerWaalsContact CZ-CE 3.42Å; Y323-K327 PolarHBondContact O-N 2.79Å; Y323-K327 VanDerWaalsContact O-N 3.09Å; Y323-K327 VanDerWaalsContact OH-CE 3.31Å; Y323-K327 WeakPolarHBondContact OH-CE 3.49Å; Y323-K327 PolarHBondContact OH-NZ 2.82Å; V324-K327 PolarHBondContact O-N 3.19Å; K327-A354 HydrophobicContact CD-CB 4.37Å
328C96.2Very high93.7Very high16 Ų1648.2 Ų48.211%0.10826%0.26CS..Hα-helixtrans-110.3-10.5-170.5-56.40000113.2V324 C330 C350V324-C328 HydrophobicContact CG1-CB 4.33Å; V324-C328 WeakPolarHBondContact O-CB 3.45Å; V324-C328 PolarHBondContact O-N 2.8Å; C328-C330 PolarHBondContact O-N 2.96Å; C328-C350 WeakPolarHBondContact CA-SG 3.5Å; C328-C350 HydrophobicContact CB-CB 3.97Å; C328-C350 WeakPolarHBondContact CB-SG 3.41Å; C328-C350 WeakPolarHBondContact SG-CB 3.4Å; C328-C350 CovalentContact SG-SG 2.04Å; C328-C350 PolarHBondContact SG-SG 3.27Å
329G95.6Very high93.8Very high48 Ų4849.1 Ų49.150%0.49526%0.261SS..SBendtrans68.214.7-177.200000113.9A325 V339A325-G329 VanDerWaalsContact O-CA 3.23Å; A325-G329 WeakPolarHBondContact O-CA 3.27Å; A325-G329 PolarHBondContact O-N 2.9Å; G329-V339 WeakPolarHBondContact O-CG1 3.21Å
330C96.5Very high93.9Very high2 Ų252.6 Ų52.61%0.01428%0.283CS..  trans-146.3169.2-175.366.50000110.2V324 A325 C328 P340 C342V324-C330 CarbonylContact C-O 3.33Å; A325-C330 WeakPolarHBondContact CA-O 3.2Å; A325-C330 PolarHBondContact N-O 3Å; C328-C330 PolarHBondContact O-N 2.96Å; C330-P340 CarbonylContact C-O 3.53Å; C330-P340 VanDerWaalsContact CA-O 3.28Å; C330-P340 WeakPolarHBondContact CA-O 3.4Å; C330-P340 WeakPolarHBondContact CB-O 3.43Å; C330-C342 HydrophobicContact CB-CB 3.81Å; C330-C342 WeakPolarHBondContact CB-SG 3.4Å; C330-C342 VanDerWaalsContact SG-CA 3.52Å; C330-C342 WeakPolarHBondContact SG-CB 3.36Å; C330-C342 CovalentContact SG-SG 2.03Å; C330-C342 PolarHBondContact SG-SG 3.45Å
331R95.3Very high94.1Very high51 Ų5153.4 Ų53.419%0.19229%0.289CS..BIsolated β-bridgetrans-124.3157.5173.571.4177.3178.674.13.1111.5V333 M335 P336 G337 V339 P340 V341 C342R331-V333 PolarHBondContact NH1-O 2.86Å; R331-M335 HydrophobicContact CB-CB 3.99Å; R331-M335 HydrophobicContact CB-SD 4.33Å; R331-M335 WeakPolarHBondContact CD-O 3.48Å; R331-M335 PolarHBondContact NH1-O 3.43Å; R331-P336 WeakPolarHBondContact CD-O 3.36Å; R331-G337 WeakPolarHBondContact CD-O 3.46Å; R331-G337 PolarHBondContact NE-O 2.73Å; R331-V339 WeakPolarHBondContact CD-O 3.5Å; R331-V339 WeakPolarHBondContact CG-O 3.45Å; R331-V339 PolarHBondContact NE-O 3.47Å; R331-P340 PolarHBondContact N-O 3.31Å; R331-V341 CarbonylContact O-C 3.6Å; R331-V341 VanDerWaalsContact O-CA 3.31Å; R331-V341 WeakPolarHBondContact O-CA 3.41Å; R331-C342 VanDerWaalsContact C-SG 3.57Å; R331-C342 PolarHBondContact O-N 3.1Å; R331-C342 PolarHBondContact O-SG 3.41Å; R331-C342 VanDerWaalsContact O-SG 3.36Å
332M94.8Very high94.1Very high4 Ų452.6 Ų52.62%0.0229%0.285CS..  trans-77.5161.6168.8-65.4-171.6176.100111.1Y334 M335 Y347 A351 H352 I355M332-Y334 VanDerWaalsContact C-N 3.29Å; M332-Y334 HydrophobicContact CB-CD1 3.94Å; M332-Y334 HydrophobicContact CB-CE1 3.61Å; M332-Y334 HydrophobicContact CG-CE1 4.21Å; M332-Y334 PolarHBondContact O-N 3.05Å; M332-Y334 HydrophobicContact SD-CE1 3.49Å; M332-Y334 WeakPolarHBondContact SD-CE1 3.44Å; M332-Y334 PolarHBondContact SD-OH 3.09Å; M332-M335 HydrophobicContact CB-CE 4.01Å; M332-M335 HydrophobicContact CB-CG 4.08Å; M332-M335 HydrophobicContact CB-SD 3.94Å; M332-M335 HydrophobicContact CG-CE 3.94Å; M332-M335 HydrophobicContact CG-SD 4.23Å; M332-M335 PolarHBondContact N-SD 2.82Å; M332-M335 VanDerWaalsContact N-SD 3.42Å; M332-M335 WeakPolarHBondContact O-CB 3.33Å; M332-M335 PolarHBondContact O-N 3.4Å; M332-M335 HydrophobicContact SD-CE 4.05Å; M332-Y347 WeakPolarHBondContact CA-OH 3.43Å; M332-Y347 HydrophobicContact CB-CE1 4.39Å; M332-Y347 HydrophobicContact CE-CD1 4.33Å; M332-Y347 HydrophobicContact CE-CE1 4.42Å; M332-Y347 HydrophobicContact CG-CE1 3.97Å; M332-Y347 HydrophobicContact CG-CE2 4.44Å; M332-Y347 HydrophobicContact SD-CE1 4.14Å; M332-A351 HydrophobicContact CE-CB 3.33Å; M332-A351 HydrophobicContact CG-CB 4.42Å; M332-H352 VanDerWaalsContact CE-CD2 3.44Å; M332-H352 WeakPolarHBondContact CE-CD2 3.28Å; M332-I355 HydrophobicContact CE-CD1 3.38Å; M332-I355 HydrophobicContact SD-CD1 3.72Å
333V94.4Very high94.2Very high17 Ų1749.9 Ų49.910%0.10328%0.281CS..THydrogen-bonded Turntrans-55.7-39.3-176174.50000113.1M146 A147 Y150 F180 R331 M335 V341 Y347M146-V333 HydrophobicContact CB-CG2 4.01Å; A147-V333 HydrophobicContact CB-CG1 4.4Å; A147-V333 HydrophobicContact CB-CG2 4.19Å; Y150-V333 HydrophobicContact CD2-CB 4.45Å; Y150-V333 HydrophobicContact CD2-CG2 4.08Å; F180-V333 HydrophobicContact CB-CG1 3.89Å; F180-V333 HydrophobicContact CD1-CG1 3.88Å; F180-V333 HydrophobicContact CD2-CG1 4.26Å; F180-V333 HydrophobicContact CG-CG1 3.74Å; R331-V333 PolarHBondContact NH1-O 2.86Å; V333-M335 VanDerWaalsContact C-N 3.32Å; V333-V341 HydrophobicContact CG2-CG1 3.64Å; V333-Y347 WeakPolarHBondContact CG2-OH 3.06Å; V333-Y347 PolarHBondContact N-OH 2.92Å
334Y94.1Very high94.1Very high36 Ų3648.2 Ų48.214%0.14128%0.275CS..THydrogen-bonded Turntrans-78.9-11.717966.6-94000114.4F180 R182 L317 E320 M332F180-Y334 WeakPolarHBondContact O-CA 3.25Å; F180-Y334 WeakPolarHBondContact O-CB 3.38Å; R182-Y334 HydrophobicContact CB-CE1 4.42Å; R182-Y334 HydrophobicContact CG-CD1 3.86Å; R182-Y334 HydrophobicContact CG-CD2 4.38Å; R182-Y334 HydrophobicContact CG-CE1 3.38Å; R182-Y334 HydrophobicContact CG-CE2 3.98Å; R182-Y334 HydrophobicContact CG-CG 4.34Å; R182-Y334 VanDerWaalsContact CG-CZ 3.46Å; R182-Y334 PolarHBondContact NE-OH 3.21Å; R182-Y334 VanDerWaalsContact NE-OH 3.09Å; L317-Y334 HydrophobicContact CD1-CD2 3.98Å; L317-Y334 HydrophobicContact CD1-CE2 4.09Å; E320-Y334 PolarHBondContact OE1-OH 3.23Å; M332-Y334 VanDerWaalsContact C-N 3.29Å; M332-Y334 HydrophobicContact CB-CD1 3.94Å; M332-Y334 HydrophobicContact CB-CE1 3.61Å; M332-Y334 HydrophobicContact CG-CE1 4.21Å; M332-Y334 PolarHBondContact O-N 3.05Å; M332-Y334 HydrophobicContact SD-CE1 3.49Å; M332-Y334 WeakPolarHBondContact SD-CE1 3.44Å; M332-Y334 PolarHBondContact SD-OH 3.09Å
335M94.3Very high93.9Very high3 Ų352.4 Ų52.42%0.01530%0.295CS..SBendtrans-81134.5-178.6-68.5177.7-177.300109.8E320 T321 V324 R331 M332 V333 I355E320-M335 HydrophobicContact CG-CE 3.72Å; E320-M335 VanDerWaalsContact OE1-CE 3.3Å; E320-M335 WeakPolarHBondContact OE1-CE 3.29Å; T321-M335 HydrophobicContact CG2-CB 4.1Å; T321-M335 WeakPolarHBondContact OG1-CB 3.45Å; V324-M335 HydrophobicContact CB-CE 4.32Å; V324-M335 HydrophobicContact CB-SD 4.18Å; V324-M335 HydrophobicContact CG1-SD 4.45Å; V324-M335 HydrophobicContact CG2-CE 3.91Å; V324-M335 HydrophobicContact CG2-SD 4.42Å; R331-M335 HydrophobicContact CB-CB 3.99Å; R331-M335 HydrophobicContact CB-SD 4.33Å; R331-M335 WeakPolarHBondContact CD-O 3.48Å; R331-M335 PolarHBondContact NH1-O 3.43Å; M332-M335 HydrophobicContact CB-CE 4.01Å; M332-M335 HydrophobicContact CB-CG 4.08Å; M332-M335 HydrophobicContact CB-SD 3.94Å; M332-M335 HydrophobicContact CG-CE 3.94Å; M332-M335 HydrophobicContact CG-SD 4.23Å; M332-M335 PolarHBondContact N-SD 2.82Å; M332-M335 VanDerWaalsContact N-SD 3.42Å; M332-M335 WeakPolarHBondContact O-CB 3.33Å; M332-M335 PolarHBondContact O-N 3.4Å; M332-M335 HydrophobicContact SD-CE 4.05Å; V333-M335 VanDerWaalsContact C-N 3.32Å; M335-I355 HydrophobicContact CE-CD1 3.89Å
336P91.8Very high93.8Very high68 Ų6854.7 Ų54.744%0.44230%0.301SS..  trans-69.4169.1174.229.1-36.2000112.6L317 T321 R331L317-P336 HydrophobicContact CD2-CG 4.42Å; L317-P336 HydrophobicContact CG-CG 4.39Å; T321-P336 WeakPolarHBondContact CG2-O 3.43Å; T321-P336 WeakPolarHBondContact OG1-CD 3.36Å; R331-P336 WeakPolarHBondContact CD-O 3.36Å
337G88.1Confident93.7Very high46 Ų4646.4 Ų46.447%0.47427%0.27SS..SBendtrans106.8169.7171.400000115.4R331R331-G337 WeakPolarHBondContact CD-O 3.46Å; R331-G337 PolarHBondContact NE-O 2.73Å
338D90.2Very high93.5Very high172 Ų17245.4 Ų45.492%0.9227%0.266SS*.SBendtrans-90.3-5.5-169.1-53.4-48.5000114.3
339V92.6Very high93.4Very high56 Ų5650.2 Ų50.234%0.33929%0.29SS..SBendtrans-63.6142176.1-177.90000109.2A325 G329 R331A325-V339 HydrophobicContact CB-CG1 4.49Å; A325-V339 HydrophobicContact CB-CG2 4.3Å; G329-V339 WeakPolarHBondContact O-CG1 3.21Å; R331-V339 WeakPolarHBondContact CD-O 3.5Å; R331-V339 WeakPolarHBondContact CG-O 3.45Å; R331-V339 PolarHBondContact NE-O 3.47Å
340P95.2Very high93.4Very high89 Ų8949.8 Ų49.858%0.57828%0.279SS*.PPolyproline II helixtrans-60.4151.6179.924.3-36.3000113C330 R331C330-P340 CarbonylContact C-O 3.53Å; C330-P340 VanDerWaalsContact CA-O 3.28Å; C330-P340 WeakPolarHBondContact CA-O 3.4Å; C330-P340 WeakPolarHBondContact CB-O 3.43Å; R331-P340 PolarHBondContact N-O 3.31Å
341V95.2Very high93.3Very high35 Ų3549.7 Ų49.721%0.21228%0.278CS..BIsolated β-bridgetrans-67.8135.9174.6179.80000109.7M146 A147 R331 V333M146-V341 HydrophobicContact CB-CG1 3.87Å; A147-V341 HydrophobicContact CB-CG2 4.36Å; R331-V341 CarbonylContact O-C 3.6Å; R331-V341 VanDerWaalsContact O-CA 3.31Å; R331-V341 WeakPolarHBondContact O-CA 3.41Å; V333-V341 HydrophobicContact CG2-CG1 3.64Å
342C95.5Very high93.2Very high2 Ų249.6 Ų49.61%0.01428%0.28CS..PPolyproline II helixtrans-61138.6178.5-620000111.4M146 C330 R331 Q346 Y347M146-C342 WeakPolarHBondContact CG-O 3.43Å; C330-C342 HydrophobicContact CB-CB 3.81Å; C330-C342 WeakPolarHBondContact CB-SG 3.4Å; C330-C342 VanDerWaalsContact SG-CA 3.52Å; C330-C342 WeakPolarHBondContact SG-CB 3.36Å; C330-C342 CovalentContact SG-SG 2.03Å; C330-C342 PolarHBondContact SG-SG 3.45Å; R331-C342 VanDerWaalsContact C-SG 3.57Å; R331-C342 PolarHBondContact O-N 3.1Å; R331-C342 PolarHBondContact O-SG 3.41Å; R331-C342 VanDerWaalsContact O-SG 3.36Å; C342-Q346 HydrophobicContact CB-CB 3.93Å; C342-Y347 HydrophobicContact CB-CD2 3.46Å; C342-Y347 VanDerWaalsContact CB-CD2 3.46Å; C342-Y347 HydrophobicContact CB-CE2 3.57Å; C342-Y347 WeakPolarHBondContact O-CD2 3.31Å; C342-Y347 VanDerWaalsContact O-CE2 3.29Å; C342-Y347 WeakPolarHBondContact O-CE2 3.49Å
343S93.9Very high93.1Very high43 Ų4352.3 Ų52.330%0.30130%0.298SS..PPolyproline II helixtrans-64.9158.5167.260.20000111.4Q345 Q346 Y347S343-Q345 PolarHBondContact O-N 3.45Å; S343-Q346 CarbonylContact O-C 3.56Å; S343-Q346 WeakPolarHBondContact O-CA 3.35Å; S343-Q346 WeakPolarHBondContact O-CB 3.46Å; S343-Q346 PolarHBondContact O-N 3.04Å; S343-Q346 VanDerWaalsContact OG-CG 3.31Å; S343-Q346 WeakPolarHBondContact OG-CG 3.47Å; S343-Q346 PolarHBondContact OG-N 3.25Å; S343-Q346 PolarHBondContact OG-OE1 2.85Å; S343-Y347 WeakPolarHBondContact O-CD2 3.48Å; S343-Y347 PolarHBondContact O-N 2.83Å
344P91.9Very high93.2Very high4 Ų451.8 Ų51.83%0.02630%0.296CS..Hα-helixtrans-52.2-38.8175.6-2935.6000114.2W109 A110 A113 F144 M146 Y347 K348W109-P344 HydrophobicContact CB-CG 4.3Å; W109-P344 WeakPolarHBondContact O-CB 3.36Å; W109-P344 WeakPolarHBondContact O-CG 3.27Å; A110-P344 HydrophobicContact CB-CB 4.4Å; A110-P344 HydrophobicContact CB-CG 4.21Å; A113-P344 HydrophobicContact CB-CB 3.86Å; A113-P344 WeakPolarHBondContact CB-O 3.5Å; F144-P344 HydrophobicContact CD1-CG 3.79Å; F144-P344 HydrophobicContact CE1-CG 3.29Å; F144-P344 HydrophobicContact CZ-CG 4.15Å; M146-P344 HydrophobicContact CG-CG 4.18Å; M146-P344 HydrophobicContact SD-CG 3.8Å; P344-Y347 WeakPolarHBondContact O-CB 3.41Å; P344-Y347 PolarHBondContact O-N 3.02Å; P344-K348 PolarHBondContact O-N 3.44Å
345Q90.6Very high93.1Very high89 Ų8950.6 Ų50.642%0.41629%0.292SS..Hα-helixtrans-67.3-38.8177.2-68.872.52000111.1S343 N349S343-Q345 PolarHBondContact O-N 3.45Å; Q345-N349 WeakPolarHBondContact O-CB 3.48Å; Q345-N349 VanDerWaalsContact O-CG 3.25Å; Q345-N349 PolarHBondContact O-N 3.43Å; Q345-N349 PolarHBondContact O-ND2 2.94Å
346Q94.2Very high93Very high71 Ų7154 Ų5433%0.33231%0.31SS..Hα-helixtrans-67.8-35.2174.1-75.2168.6-5600112.3C342 S343 C350 A351C342-Q346 HydrophobicContact CB-CB 3.93Å; S343-Q346 CarbonylContact O-C 3.56Å; S343-Q346 WeakPolarHBondContact O-CA 3.35Å; S343-Q346 WeakPolarHBondContact O-CB 3.46Å; S343-Q346 PolarHBondContact O-N 3.04Å; S343-Q346 VanDerWaalsContact OG-CG 3.31Å; S343-Q346 WeakPolarHBondContact OG-CG 3.47Å; S343-Q346 PolarHBondContact OG-N 3.25Å; S343-Q346 PolarHBondContact OG-OE1 2.85Å; Q346-C350 CarbonylContact O-C 3.52Å; Q346-C350 WeakPolarHBondContact O-CA 2.93Å; Q346-C350 WeakPolarHBondContact O-CB 3.44Å; Q346-C350 PolarHBondContact O-N 2.75Å; Q346-A351 PolarHBondContact O-N 2.91Å
347Y93Very high93Very high7 Ų752.3 Ų52.33%0.02730%0.302CS..Iπ-helixtrans-53.8-56.8172.2-96.7-109.7000110.7M146 M332 V333 C342 S343 P344 A351 H352M146-Y347 HydrophobicContact CB-CE2 4.43Å; M146-Y347 HydrophobicContact CE-CD1 4.22Å; M146-Y347 HydrophobicContact CE-CD2 4.23Å; M146-Y347 HydrophobicContact CE-CE1 3.99Å; M146-Y347 HydrophobicContact CE-CE2 4.01Å; M146-Y347 HydrophobicContact CE-CG 4.33Å; M146-Y347 HydrophobicContact CG-CD2 4.42Å; M146-Y347 HydrophobicContact CG-CE2 4.1Å; M332-Y347 WeakPolarHBondContact CA-OH 3.43Å; M332-Y347 HydrophobicContact CB-CE1 4.39Å; M332-Y347 HydrophobicContact CE-CD1 4.33Å; M332-Y347 HydrophobicContact CE-CE1 4.42Å; M332-Y347 HydrophobicContact CG-CE1 3.97Å; M332-Y347 HydrophobicContact CG-CE2 4.44Å; M332-Y347 HydrophobicContact SD-CE1 4.14Å; V333-Y347 WeakPolarHBondContact CG2-OH 3.06Å; V333-Y347 PolarHBondContact N-OH 2.92Å; C342-Y347 HydrophobicContact CB-CD2 3.46Å; C342-Y347 VanDerWaalsContact CB-CD2 3.46Å; C342-Y347 HydrophobicContact CB-CE2 3.57Å; C342-Y347 WeakPolarHBondContact O-CD2 3.31Å; C342-Y347 VanDerWaalsContact O-CE2 3.29Å; C342-Y347 WeakPolarHBondContact O-CE2 3.49Å; S343-Y347 WeakPolarHBondContact O-CD2 3.48Å; S343-Y347 PolarHBondContact O-N 2.83Å; P344-Y347 WeakPolarHBondContact O-CB 3.41Å; P344-Y347 PolarHBondContact O-N 3.02Å; Y347-A351 PolarHBondContact O-N 3.49Å; Y347-H352 PolarHBondContact O-N 3.32Å
348K90.7Very high93.2Very high94 Ų9450.5 Ų50.541%0.40928%0.281SS..Iπ-helixtrans-67.9-47.2-177.9-175.2175.2-174.8159.90113.3S112 A113 P344 P353S112-K348 PolarHBondContact O-NZ 2.01Å; S112-K348 PolarHBondContact OG-NZ 2.83Å; A113-K348 HydrophobicContact CB-CB 4.2Å; P344-K348 PolarHBondContact O-N 3.44Å; K348-P353 WeakPolarHBondContact O-CD 3.38Å
349N93.3Very high93.1Very high118 Ų11846.9 Ų46.963%0.63126%0.261SS*.Iπ-helixtrans-89.3-18.4-167.8-61.1-18.3000113.6Q345Q345-N349 WeakPolarHBondContact O-CB 3.48Å; Q345-N349 VanDerWaalsContact O-CG 3.25Å; Q345-N349 PolarHBondContact O-N 3.43Å; Q345-N349 PolarHBondContact O-ND2 2.94Å
350C96Very high93Very high38 Ų3854.4 Ų54.426%0.25728%0.283SS..Iπ-helixtrans-132.8-55.3-175.5-168.50000113.1C328 Q346 P353 A354C328-C350 WeakPolarHBondContact CA-SG 3.5Å; C328-C350 HydrophobicContact CB-CB 3.97Å; C328-C350 WeakPolarHBondContact CB-SG 3.41Å; C328-C350 WeakPolarHBondContact SG-CB 3.4Å; C328-C350 CovalentContact SG-SG 2.04Å; C328-C350 PolarHBondContact SG-SG 3.27Å; Q346-C350 CarbonylContact O-C 3.52Å; Q346-C350 WeakPolarHBondContact O-CA 2.93Å; Q346-C350 WeakPolarHBondContact O-CB 3.44Å; Q346-C350 PolarHBondContact O-N 2.75Å; C350-P353 WeakPolarHBondContact O-CD 3.33Å; C350-A354 WeakPolarHBondContact O-CB 3.45Å; C350-A354 PolarHBondContact O-N 3.34Å
351A94.8Very high92.7Very high0 Ų057.4 Ų57.40%029%0.287CS..Iπ-helixtrans-69.2-49.5-166.200000112.7V324 M332 Q346 Y347 A354 I355V324-A351 HydrophobicContact CG1-CB 4.05Å; M332-A351 HydrophobicContact CE-CB 3.33Å; M332-A351 HydrophobicContact CG-CB 4.42Å; Q346-A351 PolarHBondContact O-N 2.91Å; Y347-A351 PolarHBondContact O-N 3.49Å; A351-A354 PolarHBondContact O-N 3.04Å; A351-I355 WeakPolarHBondContact O-CG1 3.29Å; A351-I355 PolarHBondContact O-N 2.96Å
352H92.2Very high92Very high49 Ų4960.3 Ų60.323%0.22730%0.302CS..Hα-helixtrans-60.3-52.4173.8-62.2152.3000111.8E230 M332 Y347 A354 I355 D356E230-H352 IonicContact OE1-CE1 3.22Å; M332-H352 VanDerWaalsContact CE-CD2 3.44Å; M332-H352 WeakPolarHBondContact CE-CD2 3.28Å; Y347-H352 PolarHBondContact O-N 3.32Å; H352-A354 PolarHBondContact O-N 3.36Å; H352-I355 PolarHBondContact O-N 2.93Å; H352-I355 VanDerWaalsContact O-N 3.12Å; H352-D356 PolarHBondContact O-N 3.33Å
353P93.7Very high91.4Very high61 Ų6163.1 Ų63.140%0.39632%0.322SS..Hα-helixtrans-58.9-32.6176.9-25.434.3000114.2K348 C350 A357K348-P353 WeakPolarHBondContact O-CD 3.38Å; C350-P353 WeakPolarHBondContact O-CD 3.33Å; P353-A357 WeakPolarHBondContact O-CB 3.32Å; P353-A357 PolarHBondContact O-N 2.83Å
354A95Very high91Very high7 Ų762.2 Ų62.26%0.05832%0.315CS..Hα-helixtrans-67.7-45.9176.800000111.2Y323 K327 C350 A351 H352 A357 M358Y323-A354 HydrophobicContact CD1-CB 4.41Å; Y323-A354 HydrophobicContact CE1-CB 4.06Å; Y323-A354 WeakPolarHBondContact CE1-O 3.34Å; K327-A354 HydrophobicContact CD-CB 4.37Å; C350-A354 WeakPolarHBondContact O-CB 3.45Å; C350-A354 PolarHBondContact O-N 3.34Å; A351-A354 PolarHBondContact O-N 3.04Å; H352-A354 PolarHBondContact O-N 3.36Å; A354-A357 PolarHBondContact O-N 2.79Å; A354-M358 WeakPolarHBondContact O-CB 3.37Å; A354-M358 PolarHBondContact O-N 3.23Å
355I93.3Very high90.8Very high10 Ų1066.8 Ų66.85%0.05135%0.353CS..Hα-helixtrans-61.9-46.5176.4-67.3169.4000110.1E320 V324 M332 M335 A351 H352 A357 M358 L359E320-I355 HydrophobicContact CG-CG1 4.24Å; V324-I355 HydrophobicContact CG2-CD1 4.17Å; V324-I355 HydrophobicContact CG2-CG1 3.64Å; M332-I355 HydrophobicContact CE-CD1 3.38Å; M332-I355 HydrophobicContact SD-CD1 3.72Å; M335-I355 HydrophobicContact CE-CD1 3.89Å; A351-I355 WeakPolarHBondContact O-CG1 3.29Å; A351-I355 PolarHBondContact O-N 2.96Å; H352-I355 PolarHBondContact O-N 2.93Å; H352-I355 VanDerWaalsContact O-N 3.12Å; I355-A357 VanDerWaalsContact C-N 3.31Å; I355-A357 PolarHBondContact O-N 2.85Å; I355-M358 WeakPolarHBondContact O-CA 3.29Å; I355-M358 VanDerWaalsContact O-CB 3.31Å; I355-M358 WeakPolarHBondContact O-CB 3.41Å; I355-M358 PolarHBondContact O-N 2.82Å; I355-L359 HydrophobicContact CG2-CD1 3.98Å; I355-L359 HydrophobicContact CG2-CG 4.34Å; I355-L359 WeakPolarHBondContact O-CG 3.18Å; I355-L359 PolarHBondContact O-N 3.29Å
356D92.1Very high90.7Very high75 Ų7563.7 Ų63.740%0.40134%0.341SS..Hα-helixtrans-59.9-42.9177.6-67.3-20.4000112H352 M358 L359 R360H352-D356 PolarHBondContact O-N 3.33Å; D356-M358 VanDerWaalsContact C-N 3.3Å; D356-M358 PolarHBondContact O-N 3.2Å; D356-L359 PolarHBondContact O-N 2.76Å; D356-R360 VanDerWaalsContact O-CG 3.31Å; D356-R360 WeakPolarHBondContact O-CG 3.41Å; D356-R360 PolarHBondContact O-N 3.4Å
357A92.4Very high90.5Very high32 Ų3262.9 Ų62.926%0.26434%0.341SS..Hα-helixtrans-66.3-32.6176.200000112.6P353 A354 I355 K361P353-A357 WeakPolarHBondContact O-CB 3.32Å; P353-A357 PolarHBondContact O-N 2.83Å; A354-A357 PolarHBondContact O-N 2.79Å; I355-A357 VanDerWaalsContact C-N 3.31Å; I355-A357 PolarHBondContact O-N 2.85Å; A357-K361 WeakPolarHBondContact O-CB 3.3Å; A357-K361 WeakPolarHBondContact O-CG 3.39Å; A357-K361 PolarHBondContact O-N 3.05Å
358M91.7Very high90.4Very high8 Ų866.5 Ų66.54%0.03936%0.362CS..Hα-helixtrans-67.9-48175.2-177.4-167.471.900110.9E320 Y323 A354 I355 D356 K361 D362 S363 C364E320-M358 HydrophobicContact CB-CE 3.96Å; E320-M358 HydrophobicContact CB-SD 4.22Å; E320-M358 HydrophobicContact CG-CE 3.8Å; E320-M358 HydrophobicContact CG-SD 4.31Å; Y323-M358 HydrophobicContact CD1-CB 3.91Å; Y323-M358 HydrophobicContact CD1-CG 4.23Å; Y323-M358 HydrophobicContact CD1-SD 4.25Å; Y323-M358 HydrophobicContact CD2-CB 4.43Å; Y323-M358 HydrophobicContact CD2-CG 4.12Å; Y323-M358 HydrophobicContact CE1-CB 3.74Å; Y323-M358 HydrophobicContact CE1-CG 4.42Å; Y323-M358 HydrophobicContact CE2-CB 4.27Å; Y323-M358 HydrophobicContact CE2-CG 4.31Å; Y323-M358 HydrophobicContact CG-CB 4.24Å; Y323-M358 HydrophobicContact CG-CG 4.06Å; Y323-M358 HydrophobicContact CG-SD 3.97Å; A354-M358 WeakPolarHBondContact O-CB 3.37Å; A354-M358 PolarHBondContact O-N 3.23Å; I355-M358 WeakPolarHBondContact O-CA 3.29Å; I355-M358 VanDerWaalsContact O-CB 3.31Å; I355-M358 WeakPolarHBondContact O-CB 3.41Å; I355-M358 PolarHBondContact O-N 2.82Å; D356-M358 VanDerWaalsContact C-N 3.3Å; D356-M358 PolarHBondContact O-N 3.2Å; M358-K361 PolarHBondContact O-N 3.36Å; M358-D362 PolarHBondContact O-N 3.16Å; M358-S363 PolarHBondContact O-N 2.88Å; M358-C364 VanDerWaalsContact SD-SG 3.61Å
359L88.6Confident90.5Very high96 Ų9662.7 Ų62.750%0.50335%0.346SS..Hα-helixtrans-61.9-43.4179.5-69.3173.2000111.3I355 D356 K361 D362I355-L359 HydrophobicContact CG2-CD1 3.98Å; I355-L359 HydrophobicContact CG2-CG 4.34Å; I355-L359 WeakPolarHBondContact O-CG 3.18Å; I355-L359 PolarHBondContact O-N 3.29Å; D356-L359 PolarHBondContact O-N 2.76Å; L359-K361 VanDerWaalsContact C-N 3.28Å; L359-K361 PolarHBondContact O-N 2.83Å; L359-D362 PolarHBondContact O-N 2.9Å
360R89.6Confident90.5Very high214 Ų21458.1 Ų58.181%0.80832%0.323SS*.Hα-helixtrans-65.1-28177-71.2177.7-165.6163.77.6113.9D356D356-R360 VanDerWaalsContact O-CG 3.31Å; D356-R360 WeakPolarHBondContact O-CG 3.41Å; D356-R360 PolarHBondContact O-N 3.4Å
361K88.1Confident90.3Very high152 Ų15260 Ų6066%0.66134%0.341SS*.THydrogen-bonded Turntrans-94.1-1.3-178.8-73.8-175.1178.1-171.70113.8A357 M358 L359 S363A357-K361 WeakPolarHBondContact O-CB 3.3Å; A357-K361 WeakPolarHBondContact O-CG 3.39Å; A357-K361 PolarHBondContact O-N 3.05Å; M358-K361 PolarHBondContact O-N 3.36Å; L359-K361 VanDerWaalsContact C-N 3.28Å; L359-K361 PolarHBondContact O-N 2.83Å; K361-S363 VanDerWaalsContact CB-OG 3.31Å; K361-S363 WeakPolarHBondContact CB-OG 3.43Å; K361-S363 PolarHBondContact O-N 3.11Å; K361-S363 VanDerWaalsContact O-N 3.14Å
362D81.8Confident90.2Very high97 Ų9761.8 Ų61.852%0.51935%0.354SS..THydrogen-bonded Turntrans43.844.9-171.7-162.619.5000111.8M358 L359 C364 R523M358-D362 PolarHBondContact O-N 3.16Å; L359-D362 PolarHBondContact O-N 2.9Å; D362-C364 PolarHBondContact O-N 3.48Å; D362-C364 VanDerWaalsContact O-N 3.12Å; D362-R523 IonicContact OD2-CZ 3.25Å; D362-R523 IonicContact OD2-NH1 2.9Å; D362-R523 IonicContact OD2-NH2 2.81Å; D362-R523 PolarHBondContact OD2-NH2 3.32Å
363S82.1Confident90.2Very high61 Ų6161.3 Ų61.343%0.42735%0.354SS..  trans-71.9-5.1-170.2-62.70000114M358 K361M358-S363 PolarHBondContact O-N 2.88Å; K361-S363 VanDerWaalsContact CB-OG 3.31Å; K361-S363 WeakPolarHBondContact CB-OG 3.43Å; K361-S363 PolarHBondContact O-N 3.11Å; K361-S363 VanDerWaalsContact O-N 3.14Å
364C86Confident90.2Very high24 Ų2465.6 Ų65.616%0.16236%0.363CS..  trans-112.391.5-176.1-68.50000110.9C319 M358 D362 C366C319-C364 HydrophobicContact CB-CB 3.81Å; C319-C364 WeakPolarHBondContact CB-SG 3.19Å; C319-C364 VanDerWaalsContact SG-CA 3.51Å; C319-C364 WeakPolarHBondContact SG-CB 3.35Å; C319-C364 CovalentContact SG-SG 2.04Å; C319-C364 PolarHBondContact SG-SG 2.87Å; M358-C364 VanDerWaalsContact SD-SG 3.61Å; D362-C364 PolarHBondContact O-N 3.48Å; D362-C364 VanDerWaalsContact O-N 3.12Å; C364-C366 PolarHBondContact O-N 2.86Å
365A88.3Confident90.3Very high99 Ų9966 Ų6682%0.81836%0.363SS*.  trans-79.5100.2170.300000110.2
366C88.5Confident90.3Very high24 Ų2467 Ų6716%0.16237%0.372CS..  trans-110.7108.6174.6-72.10000109.7L312 C315 R316 C364L312-C366 HydrophobicContact CD1-CB 3.92Å; C315-C366 HydrophobicContact CB-CB 3.75Å; C315-C366 WeakPolarHBondContact CB-SG 3.45Å; C315-C366 VanDerWaalsContact SG-CA 3.56Å; C315-C366 WeakPolarHBondContact SG-CB 3.28Å; C315-C366 CovalentContact SG-SG 2.05Å; C315-C366 PolarHBondContact SG-SG 3.02Å; R316-C366 HydrophobicContact CG-CB 4.46Å; C364-C366 PolarHBondContact O-N 2.86Å
367P90.1Very high90.5Very high54 Ų5468.2 Ų68.235%0.35137%0.374SS..PPolyproline II helixtrans-66.6156.7175.828.2-34.6000111.2Y310Y310-P367 WeakPolarHBondContact CE1-O 3.49Å; Y310-P367 VanDerWaalsContact OH-CD 3.31Å; Y310-P367 WeakPolarHBondContact OH-CD 3.25Å; Y310-P367 PolarHBondContact OH-O 2.82Å
368N90.8Very high90.7Very high84 Ų8473.1 Ų73.145%0.44939%0.392SS..EExtended strand (participates in β ladder)trans-70141.4174.7-69.5-25.3000110.1C282 S283C282-N368 CarbonylContact C-O 3.52Å; C282-N368 WeakPolarHBondContact CA-O 3.39Å; S283-N368 PolarHBondContact N-O 3.18Å
369P92.1Very high90.9Very high13 Ų1376.6 Ų76.68%0.08441%0.41CS..EExtended strand (participates in β ladder)trans-64147172.129.2-36000110.4F274 S283 Y310 A371F274-P369 WeakPolarHBondContact CD2-O 3.18Å; S283-P369 WeakPolarHBondContact O-CA 3.04Å; Y310-P369 HydrophobicContact CD1-CB 3.91Å; Y310-P369 HydrophobicContact CE1-CB 4.14Å; P369-A371 VanDerWaalsContact C-N 3.25Å; P369-A371 PolarHBondContact O-N 2.81Å
370C92.6Very high91.3Very high23 Ų2375.2 Ų75.216%0.15541%0.408CS..SBendtrans-71.9-20.9175-60.40000113.3S273 F274 C282 S283S273-C370 CarbonylContact C-O 3.59Å; S273-C370 VanDerWaalsContact CA-O 3.31Å; S273-C370 WeakPolarHBondContact CA-O 3.33Å; F274-C370 PolarHBondContact N-O 2.86Å; C282-C370 HydrophobicContact CB-CB 3.87Å; C282-C370 WeakPolarHBondContact CB-SG 3.3Å; C282-C370 WeakPolarHBondContact SG-CA 2.96Å; C282-C370 WeakPolarHBondContact SG-CB 3.17Å; C282-C370 CovalentContact SG-SG 2.03Å; C282-C370 PolarHBondContact SG-SG 3.48Å; S283-C370 VanDerWaalsContact C-SG 3.52Å; S283-C370 PolarHBondContact N-SG 3.49Å; S283-C370 PolarHBondContact O-N 2.82Å
371A92.6Very high91.7Very high76 Ų7669.4 Ų69.463%0.62839%0.391SS*.EExtended strand (participates in β ladder)trans-133.9130.9173.500000109.1L272 P369L272-A371 WeakPolarHBondContact O-CA 3.24Å; P369-A371 VanDerWaalsContact C-N 3.25Å; P369-A371 PolarHBondContact O-N 2.81Å
372S92.3Very high92.1Very high39 Ų3965.6 Ų65.627%0.27338%0.38SS..EExtended strand (participates in β ladder)trans-150.2146.4175.758.40000111.5L272L272-S372 WeakPolarHBondContact CD1-O 3.48Å; L272-S372 PolarHBondContact N-O 2.89Å; L272-S372 PolarHBondContact O-N 2.88Å
373T93.5Very high92.9Very high38 Ų3870.5 Ų70.523%0.23339%0.392CS..EExtended strand (participates in β ladder)trans-100.8129.2171.5-56.80000109.3Q269 Q270 Y375Q269-T373 HydrophobicContact CG-CG2 3.84Å; Q270-T373 CarbonylContact O-C 3.59Å; Q270-T373 WeakPolarHBondContact O-CA 3.49Å; T373-Y375 HydrophobicContact CG2-CE2 4.09Å
374R93.8Very high93.5Very high151 Ų15168.7 Ų68.757%0.5738%0.377SS*.EExtended strand (participates in β ladder)trans-121.7155.1174.9-173.7-177.8175.8-161.4-1.9109.4Q270 L272Q270-R374 HydrophobicContact CB-CB 4.4Å; Q270-R374 PolarHBondContact N-O 2.76Å; Q270-R374 PolarHBondContact O-N 2.86Å; L272-R374 HydrophobicContact CD1-CB 3.54Å
375Y95.1Very high94Very high17 Ų1768.2 Ų68.27%0.06737%0.374CS..EExtended strand (participates in β ladder)trans-115.3111171.8-61.1-83000109.2P87 I241 Q268 Q269 T373 F415P87-Y375 HydrophobicContact CB-CD1 4.29Å; P87-Y375 HydrophobicContact CB-CD2 4.02Å; P87-Y375 HydrophobicContact CB-CE1 3.94Å; P87-Y375 HydrophobicContact CB-CE2 3.66Å; P87-Y375 HydrophobicContact CB-CG 4.32Å; P87-Y375 HydrophobicContact CG-CD1 4.43Å; P87-Y375 HydrophobicContact CG-CE1 4.26Å; I241-Y375 HydrophobicContact CG2-CD2 4.12Å; I241-Y375 HydrophobicContact CG2-CG 4Å; Q268-Y375 WeakPolarHBondContact O-CA 3.49Å; Q269-Y375 HydrophobicContact CB-CD1 4.23Å; Q269-Y375 HydrophobicContact CB-CE1 4Å; Q269-Y375 HydrophobicContact CG-CD1 4.45Å; Q269-Y375 HydrophobicContact CG-CE1 3.92Å; T373-Y375 HydrophobicContact CG2-CE2 4.09Å; Y375-F415 AromaticContact CD1-CE1 3.99Å; Y375-F415 HydrophobicContact CD1-CE1 3.99Å; Y375-F415 HydrophobicContact CD1-CZ 4.36Å; Y375-F415 AromaticContact CE1-CE1 3.92Å; Y375-F415 HydrophobicContact CE1-CE1 3.92Å; Y375-F415 AromaticContact CE1-CZ 3.88Å; Y375-F415 HydrophobicContact CE1-CZ 3.88Å
376A94.6Very high94.3Very high29 Ų2966.7 Ų66.724%0.2436%0.357CS..EExtended strand (participates in β ladder)trans-69.6143.7165.500000108.3C267 Q268 Q270C267-A376 CarbonylContact C-O 3.25Å; C267-A376 VanDerWaalsContact CA-O 3.28Å; C267-A376 WeakPolarHBondContact CA-O 3.21Å; Q268-A376 HydrophobicContact CB-CB 4.37Å; Q268-A376 PolarHBondContact N-O 2.86Å; Q268-A376 PolarHBondContact O-N 2.83Å; Q270-A376 HydrophobicContact CG-CB 4.37Å
377K95.3Very high94.6Very high102 Ų10277.4 Ų77.444%0.44339%0.394SS..EExtended strand (participates in β ladder)trans-138.2133.3-17262.6-177.5-177-67.90111.5L255 V265 S266 L379L255-K377 HydrophobicContact CD2-CD 3.88Å; V265-K377 HydrophobicContact CG1-CB 3.99Å; S266-K377 CarbonylContact O-C 3.46Å; S266-K377 WeakPolarHBondContact O-CA 3.16Å; K377-L379 HydrophobicContact CD-CD1 4.44Å; K377-L379 HydrophobicContact CG-CD1 4.24Å
378E96.5Very high94.8Very high135 Ų13579.3 Ų79.363%0.63141%0.414SS*.EExtended strand (participates in β ladder)trans-117.7134.5170.4-60.9-168.5163.700109.5V265 S266V265-E378 WeakPolarHBondContact CA-O 3.23Å; S266-E378 PolarHBondContact N-O 2.96Å; S266-E378 PolarHBondContact O-N 2.92Å
379L96.3Very high95Very high81 Ų8176.9 Ų76.942%0.42441%0.406SS..EExtended strand (participates in β ladder)trans-112.4136.2-174.3-66.488.3000110.7L255 F264 V265 K377L255-L379 HydrophobicContact CD1-CD2 4.12Å; L255-L379 HydrophobicContact CD2-CD2 4.46Å; F264-L379 WeakPolarHBondContact O-CA 3.33Å; V265-L379 HydrophobicContact CG2-CG 4.49Å; K377-L379 HydrophobicContact CD-CD1 4.44Å; K377-L379 HydrophobicContact CG-CD1 4.24Å
380S97.4Very high95.1Very high67 Ų6776.8 Ų76.847%0.46941%0.406SS..EExtended strand (participates in β ladder)trans-138.7156.7166.263.20000110.4T263 F264T263-S380 WeakPolarHBondContact CA-O 3.35Å; F264-S380 WeakPolarHBondContact CB-OG 3.44Å; F264-S380 PolarHBondContact N-O 2.84Å; F264-S380 PolarHBondContact O-N 3.16Å
381M97.3Very high95.2Very high92 Ų9283 Ų8345%0.45343%0.427SS..EExtended strand (participates in β ladder)trans-140.8143.2-172.2-61.6176.4-175.300111.4Y261 Q262 T263Y261-M381 HydrophobicContact CD1-CB 4.3Å; Q262-M381 WeakPolarHBondContact O-CA 3.47Å; T263-M381 HydrophobicContact CG2-CE 3.98Å; T263-M381 HydrophobicContact CG2-CG 4.06Å
382V97.6Very high95.4Very high71 Ų7186 Ų8643%0.4343%0.426SS..EExtended strand (participates in β ladder)trans-130.3154.5169.8-61.30000110Y261 Q262 F264Y261-V382 CarbonylContact C-O 3.51Å; Y261-V382 VanDerWaalsContact CA-O 3.24Å; Y261-V382 WeakPolarHBondContact CA-O 2.9Å; Q262-V382 HydrophobicContact CB-CG2 3.8Å; Q262-V382 HydrophobicContact CG-CG2 4.42Å; Q262-V382 PolarHBondContact N-O 3.36Å; Q262-V382 PolarHBondContact O-N 3.3Å; F264-V382 HydrophobicContact CE2-CB 4.45Å; F264-V382 HydrophobicContact CE2-CG1 4.05Å; F264-V382 HydrophobicContact CE2-CG2 3.69Å; F264-V382 HydrophobicContact CZ-CG2 4.08Å
383R97.4Very high95.5Very high201 Ų20185 Ų8576%0.75842%0.417SS*.EExtended strand (participates in β ladder)trans-76.5135.2-178.2-175.8178.4177.7166.73111.7
384I95.6Very high95.5Very high22 Ų2283.8 Ų83.811%0.11341%0.41CS..SBendtrans-129.4140.9172.1-166.7175.8000109.9M213 G260 Y261 A410M213-I384 HydrophobicContact CE-CD1 3.97Å; G260-I384 CarbonylContact C-O 3.51Å; G260-I384 WeakPolarHBondContact CA-O 3.24Å; G260-I384 PolarHBondContact O-N 3.41Å; Y261-I384 VanDerWaalsContact C-CG2 3.45Å; I384-A410 HydrophobicContact CD1-CB 4.29Å
385P95.8Very high95.6Very high15 Ų1585 Ų8510%0.09742%0.415CS..SBendcis-79.1158.9-10.131.4-31.6000113.1A389 A390 L393 I404P385-A389 HydrophobicContact CB-CB 4.22Å; P385-A390 HydrophobicContact CB-CB 4.36Å; P385-A390 HydrophobicContact CG-CB 3.89Å; P385-L393 HydrophobicContact CB-CD1 3.87Å; P385-I404 HydrophobicContact CG-CG2 3.88Å
386S95.4Very high95.6Very high67 Ų6790.7 Ų90.747%0.46944%0.44SS..  trans-65.5157.4162.6750000110.3A388 A389 A390S386-A388 PolarHBondContact O-N 3.46Å; S386-A388 VanDerWaalsContact O-N 3.1Å; S386-A389 PolarHBondContact O-N 3.34Å; S386-A389 PolarHBondContact OG-N 2.96Å; S386-A390 PolarHBondContact O-N 3.01Å
387R94.6Very high95.6Very high249 Ų24991.5 Ų91.594%0.9444%0.44SS*.Hα-helixtrans-54.8-32.5176.5-174.2177.4176.7-177-0.4112.7
388A94.8Very high95.6Very high93 Ų9393.8 Ų93.877%0.76946%0.457SS*.Hα-helixtrans-73.5-34177.700000112.8S386S386-A388 PolarHBondContact O-N 3.46Å; S386-A388 VanDerWaalsContact O-N 3.1Å
389A94.9Very high95.5Very high33 Ų3391.8 Ų91.827%0.27344%0.444SS..Hα-helixtrans-89-20.5-177.300000113.9P385 S386 R391 F392 L393P385-A389 HydrophobicContact CB-CB 4.22Å; S386-A389 PolarHBondContact O-N 3.34Å; S386-A389 PolarHBondContact OG-N 2.96Å; A389-R391 PolarHBondContact O-N 3.3Å; A389-F392 WeakPolarHBondContact O-CB 3.28Å; A389-F392 PolarHBondContact O-N 2.91Å; A389-L393 PolarHBondContact O-N 3.01Å
390A94.8Very high95.5Very high12 Ų1291.3 Ų91.310%0.09945%0.447CS..Hα-helixtrans-52.4-51.8-17400000112.9P385 S386 F392 L393 A394 E401P385-A390 HydrophobicContact CB-CB 4.36Å; P385-A390 HydrophobicContact CG-CB 3.89Å; S386-A390 PolarHBondContact O-N 3.01Å; A390-F392 VanDerWaalsContact C-N 3.29Å; A390-F392 PolarHBondContact O-N 3.2Å; A390-L393 PolarHBondContact O-N 3.44Å; A390-A394 VanDerWaalsContact O-CB 3.29Å; A390-A394 WeakPolarHBondContact O-CB 3.45Å; A390-A394 PolarHBondContact O-N 3.14Å; A390-E401 HydrophobicContact CB-CG 4.42Å
391R94.7Very high95.4Very high154 Ų15492.8 Ų92.858%0.58145%0.447SS*.Hα-helixtrans-66.1-31.3179.8-162.7174.7-167.7179.23.9113.1A389 R395 E401A389-R391 PolarHBondContact O-N 3.3Å; R391-R395 VanDerWaalsContact O-CG 3.32Å; R391-R395 WeakPolarHBondContact O-CG 3.27Å; R391-R395 PolarHBondContact O-N 3.5Å; R391-E401 WeakPolarHBondContact CA-OE1 3.4Å; R391-E401 WeakPolarHBondContact CB-OE1 3.37Å
392F95.2Very high95.3Very high139 Ų13991 Ų9161%0.6145%0.447SS*.Hα-helixtrans-69.6-49.8177.2174.7-95.4000110.9A389 A390 R395 K396A389-F392 WeakPolarHBondContact O-CB 3.28Å; A389-F392 PolarHBondContact O-N 2.91Å; A390-F392 VanDerWaalsContact C-N 3.29Å; A390-F392 PolarHBondContact O-N 3.2Å; F392-R395 PolarHBondContact O-N 3.07Å; F392-K396 HydrophobicContact CE1-CD 4.17Å; F392-K396 HydrophobicContact CZ-CD 4.49Å; F392-K396 WeakPolarHBondContact O-CB 3.47Å; F392-K396 PolarHBondContact O-N 2.69Å
393L94.5Very high95.2Very high18 Ų1888.8 Ų88.89%0.09443%0.431CS..Hα-helixtrans-63.8-42.8177.9-70.3-175.4000112.1P385 A389 A390 R395 K396 L397 I404P385-L393 HydrophobicContact CB-CD1 3.87Å; A389-L393 PolarHBondContact O-N 3.01Å; A390-L393 PolarHBondContact O-N 3.44Å; L393-R395 VanDerWaalsContact C-N 3.29Å; L393-R395 PolarHBondContact O-N 3.37Å; L393-K396 PolarHBondContact O-N 2.94Å; L393-L397 WeakPolarHBondContact O-CB 3.38Å; L393-L397 PolarHBondContact O-N 3.42Å; L393-I404 HydrophobicContact CB-CG1 4.44Å; L393-I404 HydrophobicContact CB-CG2 4.1Å; L393-I404 HydrophobicContact CD1-CG2 4.06Å
394A95.1Very high95.2Very high11 Ų1179.2 Ų79.29%0.09140%0.395CS..Hα-helixtrans-54.5-45.2175.700000111.8A390 N398 R399 E401 I404A390-A394 VanDerWaalsContact O-CB 3.29Å; A390-A394 WeakPolarHBondContact O-CB 3.45Å; A390-A394 PolarHBondContact O-N 3.14Å; A394-N398 WeakPolarHBondContact O-CA 3.22Å; A394-N398 PolarHBondContact O-N 3.14Å; A394-R399 CarbonylContact C-O 3.49Å; A394-R399 VanDerWaalsContact CA-O 3.29Å; A394-R399 WeakPolarHBondContact CA-O 3.35Å; A394-R399 VanDerWaalsContact CB-O 3.25Å; A394-R399 WeakPolarHBondContact CB-O 3.35Å; A394-R399 PolarHBondContact O-N 3.36Å; A394-R399 VanDerWaalsContact O-O 3.04Å; A394-E401 HydrophobicContact CB-CG 3.81Å; A394-I404 HydrophobicContact CB-CG1 4.38Å
395R95.8Very high95.2Very high177 Ų17780.1 Ų80.167%0.66841%0.405SS*.Hα-helixtrans-69.2-43.8175.7-73.3175.4177-179.9-2.3112.8R391 F392 L393 L397 N398R391-R395 VanDerWaalsContact O-CG 3.32Å; R391-R395 WeakPolarHBondContact O-CG 3.27Å; R391-R395 PolarHBondContact O-N 3.5Å; F392-R395 PolarHBondContact O-N 3.07Å; L393-R395 VanDerWaalsContact C-N 3.29Å; L393-R395 PolarHBondContact O-N 3.37Å; R395-L397 VanDerWaalsContact C-N 3.32Å; R395-L397 PolarHBondContact O-N 2.93Å; R395-N398 PolarHBondContact O-N 2.8Å
396K94.9Very high95.2Very high136 Ų13684.7 Ų84.759%0.59143%0.426SS*.Hα-helixtrans-61.1-41.3-178.6-176.2-177175.3-168.70111.5F392 L393F392-K396 HydrophobicContact CE1-CD 4.17Å; F392-K396 HydrophobicContact CZ-CD 4.49Å; F392-K396 WeakPolarHBondContact O-CB 3.47Å; F392-K396 PolarHBondContact O-N 2.69Å; L393-K396 PolarHBondContact O-N 2.94Å
397L92.9Very high95.3Very high47 Ų4781.7 Ų81.725%0.24640%0.404CS..THydrogen-bonded Turntrans-96.30.1-175.8-62.4171.4000113.2L162 L393 R395 R399 I404 V408L162-L397 HydrophobicContact CD1-CD1 3.75Å; L162-L397 HydrophobicContact CD1-CD2 4.18Å; L162-L397 HydrophobicContact CD2-CD2 4.01Å; L393-L397 WeakPolarHBondContact O-CB 3.38Å; L393-L397 PolarHBondContact O-N 3.42Å; R395-L397 VanDerWaalsContact C-N 3.32Å; R395-L397 PolarHBondContact O-N 2.93Å; L397-R399 VanDerWaalsContact C-N 3.32Å; L397-R399 WeakPolarHBondContact O-CG 3.44Å; L397-R399 PolarHBondContact O-N 3.01Å; L397-I404 HydrophobicContact CB-CD1 4.15Å; L397-I404 HydrophobicContact CD1-CD1 3.65Å; L397-V408 HydrophobicContact CD1-CG2 4.31Å
398N95.9Very high95.4Very high149 Ų14969.9 Ų69.980%0.79736%0.36SS*.THydrogen-bonded Turntrans53.444.8-176.4-166.137.6000113.3A394 R395A394-N398 WeakPolarHBondContact O-CA 3.22Å; A394-N398 PolarHBondContact O-N 3.14Å; R395-N398 PolarHBondContact O-N 2.8Å
399R95Very high95.6Very high93 Ų9365.5 Ų65.535%0.35132%0.323SS..SBendtrans-131.8164.8-179.6-65.3-63.9-171.2157.36.8110.9E219 A394 L397 Y403 I404E219-R399 IonicContact OE1-CZ 3.32Å; E219-R399 VanDerWaalsContact OE1-CZ 3.32Å; E219-R399 IonicContact OE1-NH1 2.9Å; E219-R399 PolarHBondContact OE1-NH1 3.46Å; E219-R399 IonicContact OE1-NH2 2.85Å; E219-R399 PolarHBondContact OE1-NH2 2.83Å; E219-R399 IonicContact OE2-NH1 3.12Å; E219-R399 PolarHBondContact OE2-NH1 2.84Å; E219-R399 VanDerWaalsContact OE2-NH1 3.12Å; A394-R399 CarbonylContact C-O 3.49Å; A394-R399 VanDerWaalsContact CA-O 3.29Å; A394-R399 WeakPolarHBondContact CA-O 3.35Å; A394-R399 VanDerWaalsContact CB-O 3.25Å; A394-R399 WeakPolarHBondContact CB-O 3.35Å; A394-R399 PolarHBondContact O-N 3.36Å; A394-R399 VanDerWaalsContact O-O 3.04Å; L397-R399 VanDerWaalsContact C-N 3.32Å; L397-R399 WeakPolarHBondContact O-CG 3.44Å; L397-R399 PolarHBondContact O-N 3.01Å; R399-Y403 HydrophobicContact CB-CD1 3.62Å; R399-Y403 HydrophobicContact CB-CE1 4.31Å; R399-Y403 HydrophobicContact CB-CG 4Å; R399-Y403 HydrophobicContact CG-CD1 3.62Å; R399-Y403 HydrophobicContact CG-CE1 3.79Å; R399-Y403 HydrophobicContact CG-CG 4.21Å; R399-I404 HydrophobicContact CB-CD1 3.96Å
400S96.2Very high95.7Very high71 Ų7164 Ų6450%0.49731%0.311SS..  trans-73.4155.3176.870.50000111.5A402 Y403 I404S400-A402 PolarHBondContact O-N 3.4Å; S400-Y403 WeakPolarHBondContact O-CB 3.5Å; S400-Y403 PolarHBondContact O-N 2.98Å; S400-Y403 VanDerWaalsContact O-N 3.09Å; S400-Y403 VanDerWaalsContact OG-CB 3.31Å; S400-Y403 WeakPolarHBondContact OG-CB 3.39Å; S400-Y403 PolarHBondContact OG-N 3.46Å; S400-I404 WeakPolarHBondContact O-CG1 3.35Å; S400-I404 PolarHBondContact O-N 3.1Å
401E94.7Very high95.9Very high99 Ų9963.5 Ų63.546%0.46331%0.307SS..Hα-helixtrans-58.9-35.1175.8-66.6-176.9-168.500112A390 R391 A394 I404 A405A390-E401 HydrophobicContact CB-CG 4.42Å; R391-E401 WeakPolarHBondContact CA-OE1 3.4Å; R391-E401 WeakPolarHBondContact CB-OE1 3.37Å; A394-E401 HydrophobicContact CB-CG 3.81Å; E401-I404 PolarHBondContact O-N 3.49Å; E401-A405 PolarHBondContact O-N 3.36Å
402A95.1Very high96Very high55 Ų5556.5 Ų56.546%0.45528%0.281SS..Hα-helixtrans-63.8-45.8173.700000111.7S400 I404 A405 E406S400-A402 PolarHBondContact O-N 3.4Å; A402-I404 VanDerWaalsContact C-N 3.31Å; A402-I404 PolarHBondContact O-N 3.09Å; A402-A405 PolarHBondContact O-N 3.31Å; A402-E406 WeakPolarHBondContact O-CG 3.29Å; A402-E406 PolarHBondContact O-N 2.89Å
403Y96.9Very high96.1Very high23 Ų2349.9 Ų49.99%0.0925%0.252CS..Hα-helixtrans-58.5-43.8177-176.7-78.2000111.3D215 E219 R399 S400 A405 E406 N407D215-Y403 PolarHBondContact OD1-OH 3.02Å; D215-Y403 VanDerWaalsContact OD1-OH 3.12Å; D215-Y403 WeakPolarHBondContact OD2-CE1 3.38Å; D215-Y403 PolarHBondContact OD2-OH 3.07Å; E219-Y403 HydrophobicContact CG-CE2 4.42Å; R399-Y403 HydrophobicContact CB-CD1 3.62Å; R399-Y403 HydrophobicContact CB-CE1 4.31Å; R399-Y403 HydrophobicContact CB-CG 4Å; R399-Y403 HydrophobicContact CG-CD1 3.62Å; R399-Y403 HydrophobicContact CG-CE1 3.79Å; R399-Y403 HydrophobicContact CG-CG 4.21Å; S400-Y403 WeakPolarHBondContact O-CB 3.5Å; S400-Y403 PolarHBondContact O-N 2.98Å; S400-Y403 VanDerWaalsContact O-N 3.09Å; S400-Y403 VanDerWaalsContact OG-CB 3.31Å; S400-Y403 WeakPolarHBondContact OG-CB 3.39Å; S400-Y403 PolarHBondContact OG-N 3.46Å; Y403-A405 PolarHBondContact O-N 3.29Å; Y403-E406 PolarHBondContact O-N 2.84Å; Y403-N407 HydrophobicContact CD1-CB 4.03Å; Y403-N407 WeakPolarHBondContact CD2-ND2 3.39Å; Y403-N407 HydrophobicContact CE1-CB 3.67Å; Y403-N407 VanDerWaalsContact O-CB 3.27Å; Y403-N407 WeakPolarHBondContact O-CB 3.31Å; Y403-N407 PolarHBondContact O-N 2.89Å; Y403-N407 PolarHBondContact O-ND2 3.25Å
404I96Very high96.3Very high1 Ų150.2 Ų50.21%0.00525%0.253CS..Hα-helixtrans-60.1-46.2178.1-60.1-53.7000111.1P385 L393 A394 L397 R399 S400 E401 A402 E406 V408P385-I404 HydrophobicContact CG-CG2 3.88Å; L393-I404 HydrophobicContact CB-CG1 4.44Å; L393-I404 HydrophobicContact CB-CG2 4.1Å; L393-I404 HydrophobicContact CD1-CG2 4.06Å; A394-I404 HydrophobicContact CB-CG1 4.38Å; L397-I404 HydrophobicContact CB-CD1 4.15Å; L397-I404 HydrophobicContact CD1-CD1 3.65Å; R399-I404 HydrophobicContact CB-CD1 3.96Å; S400-I404 WeakPolarHBondContact O-CG1 3.35Å; S400-I404 PolarHBondContact O-N 3.1Å; E401-I404 PolarHBondContact O-N 3.49Å; A402-I404 VanDerWaalsContact C-N 3.31Å; A402-I404 PolarHBondContact O-N 3.09Å; I404-E406 VanDerWaalsContact C-N 3.27Å; I404-E406 PolarHBondContact O-N 3Å; I404-V408 HydrophobicContact CB-CG2 4.47Å; I404-V408 HydrophobicContact CD1-CG2 3.94Å; I404-V408 HydrophobicContact CG2-CB 4.18Å; I404-V408 HydrophobicContact CG2-CG2 4.04Å; I404-V408 WeakPolarHBondContact O-CB 3.34Å; I404-V408 PolarHBondContact O-N 2.75Å
405A95Very high96.3Very high40 Ų4049.9 Ų49.933%0.33125%0.249SC..Hα-helixtrans-65.2-30.4-179.300000113.3G260 E401 A402 Y403G260-A405 VanDerWaalsContact CA-O 3.29Å; G260-A405 WeakPolarHBondContact CA-O 3.44Å; E401-A405 PolarHBondContact O-N 3.36Å; A402-A405 PolarHBondContact O-N 3.31Å; Y403-A405 PolarHBondContact O-N 3.29Å
406E96.2Very high96.2Very high111 Ų11147 Ų4752%0.51924%0.243SC..Hα-helixtrans-93.8-22.6-176.6-69.6171.2-175.200113.3Q218 P259 A402 Y403 I404Q218-E406 PolarHBondContact NE2-O 3.46Å; P259-E406 WeakPolarHBondContact CB-O 3.49Å; P259-E406 VanDerWaalsContact CG-O 3.25Å; P259-E406 WeakPolarHBondContact CG-O 3.49Å; A402-E406 WeakPolarHBondContact O-CG 3.29Å; A402-E406 PolarHBondContact O-N 2.89Å; Y403-E406 PolarHBondContact O-N 2.84Å; I404-E406 VanDerWaalsContact C-N 3.27Å; I404-E406 PolarHBondContact O-N 3Å
407N97.6Very high95.9Very high4 Ų442.4 Ų42.42%0.02123%0.231CC..Hα-helixtrans-118.7-23.9-171.5-64.3-86.1000114.8D215 V216 Q218 Y403D215-N407 WeakPolarHBondContact CA-O 3.48Å; D215-N407 WeakPolarHBondContact OD1-CB 3.44Å; V216-N407 HydrophobicContact CG2-CB 4.28Å; V216-N407 WeakPolarHBondContact CG2-O 3.47Å; V216-N407 PolarHBondContact N-O 2.95Å; Q218-N407 WeakPolarHBondContact CB-OD1 3.5Å; Q218-N407 VanDerWaalsContact CG-OD1 3.28Å; Q218-N407 WeakPolarHBondContact CG-OD1 3.46Å; Q218-N407 PolarHBondContact N-OD1 3.3Å; Y403-N407 HydrophobicContact CD1-CB 4.03Å; Y403-N407 WeakPolarHBondContact CD2-ND2 3.39Å; Y403-N407 HydrophobicContact CE1-CB 3.67Å; Y403-N407 VanDerWaalsContact O-CB 3.27Å; Y403-N407 WeakPolarHBondContact O-CB 3.31Å; Y403-N407 PolarHBondContact O-N 2.89Å; Y403-N407 PolarHBondContact O-ND2 3.25Å
408V97.7Very high95.6Very high2 Ų241.9 Ų41.91%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-91.4128.2-176.31790000110.4L162 M213 L214 G260 L397 I404L162-V408 HydrophobicContact CD1-CG1 4.28Å; L162-V408 HydrophobicContact CD1-CG2 3.98Å; M213-V408 HydrophobicContact CG-CG1 3.74Å; M213-V408 HydrophobicContact SD-CG1 3.96Å; L214-V408 WeakPolarHBondContact O-CA 3.48Å; G260-V408 PolarHBondContact N-O 2.94Å; L397-V408 HydrophobicContact CD1-CG2 4.31Å; I404-V408 HydrophobicContact CB-CG2 4.47Å; I404-V408 HydrophobicContact CD1-CG2 3.94Å; I404-V408 HydrophobicContact CG2-CB 4.18Å; I404-V408 HydrophobicContact CG2-CG2 4.04Å; I404-V408 WeakPolarHBondContact O-CB 3.34Å; I404-V408 PolarHBondContact O-N 2.75Å
409L97.9Very high95.3Very high0 Ų036.1 Ų36.10%020%0.197CC..EExtended strand (participates in β ladder)trans-121.6156.6166.158.693.5000110.7M213 L214 V216 I237 V257 S258M213-L409 CarbonylContact C-O 3.55Å; M213-L409 WeakPolarHBondContact CA-O 3.42Å; L214-L409 HydrophobicContact CB-CD1 3.83Å; L214-L409 HydrophobicContact CB-CG 4.07Å; L214-L409 HydrophobicContact CD1-CD1 4.03Å; L214-L409 HydrophobicContact CG-CD1 4.35Å; L214-L409 PolarHBondContact N-O 2.87Å; L214-L409 PolarHBondContact O-N 2.92Å; V216-L409 HydrophobicContact CG1-CD2 3.5Å; V216-L409 HydrophobicContact CG1-CG 4.45Å; I237-L409 HydrophobicContact CD1-CD1 3.93Å; I237-L409 HydrophobicContact CD1-CD2 4.3Å; I237-L409 HydrophobicContact CG1-CD2 4.06Å; I237-L409 HydrophobicContact CG2-CD2 4.33Å; V257-L409 HydrophobicContact CG1-CD1 4.02Å; V257-L409 HydrophobicContact CG1-CD2 4.33Å; S258-L409 WeakPolarHBondContact O-CB 3.36Å
410A97.6Very high95Very high2 Ų233.8 Ų33.82%0.01719%0.189CC..EExtended strand (participates in β ladder)trans-121.1144.916600000109.8I212 Y261 Q262 T263 I384I212-A410 CarbonylContact O-C 3.42Å; I212-A410 VanDerWaalsContact O-CA 3.31Å; I212-A410 WeakPolarHBondContact O-CA 3.02Å; Y261-A410 PolarHBondContact O-N 2.72Å; Q262-A410 CarbonylContact C-O 3.48Å; Q262-A410 VanDerWaalsContact CA-O 3.3Å; Q262-A410 WeakPolarHBondContact CA-O 3.3Å; Q262-A410 HydrophobicContact CB-CB 3.88Å; Q262-A410 HydrophobicContact CG-CB 3.78Å; T263-A410 PolarHBondContact N-O 3.11Å; I384-A410 HydrophobicContact CD1-CB 4.29Å
411L98.1Very high94.9Very high1 Ų132.3 Ų32.31%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-136.6120.2-178.5176.266.9000109.5I212 V239 V257 T263 V265 I413I212-L411 HydrophobicContact CD1-CB 4.37Å; I212-L411 HydrophobicContact CD1-CD2 4.04Å; I212-L411 HydrophobicContact CG1-CB 3.83Å; I212-L411 HydrophobicContact CG1-CD2 4.36Å; I212-L411 HydrophobicContact CG1-CG 4.47Å; I212-L411 PolarHBondContact N-O 2.9Å; I212-L411 PolarHBondContact O-N 3.22Å; V239-L411 HydrophobicContact CG1-CD2 4.22Å; V239-L411 HydrophobicContact CG2-CD2 3.76Å; V257-L411 HydrophobicContact CG1-CD1 4.46Å; V257-L411 HydrophobicContact CG2-CD1 4.02Å; T263-L411 HydrophobicContact CG2-CD1 4.3Å; T263-L411 WeakPolarHBondContact O-CA 3.44Å; V265-L411 HydrophobicContact CG2-CD1 3.82Å; L411-I413 HydrophobicContact CD1-CG1 4.23Å; L411-I413 HydrophobicContact CD2-CD1 3.98Å; L411-I413 HydrophobicContact CD2-CG1 4.36Å; L411-I413 HydrophobicContact CG-CD1 4.23Å; L411-I413 HydrophobicContact CG-CG1 4.06Å
412D97.8Very high94.9Very high7 Ų728.2 Ų28.24%0.03716%0.156CC..EExtended strand (participates in β ladder)trans-112.4117.6176.8-65.6-77.8000109.6L210 D211 Q262 T263 F264 V265 F414L210-D412 CarbonylContact O-C 3.34Å; L210-D412 WeakPolarHBondContact O-CA 3.35Å; D211-D412 WeakPolarHBondContact CB-OD1 3.13Å; Q262-D412 WeakPolarHBondContact CG-OD2 3.42Å; Q262-D412 PolarHBondContact NE2-OD2 3.42Å; T263-D412 PolarHBondContact O-N 3.42Å; F264-D412 CarbonylContact C-O 3.56Å; F264-D412 HydrophobicContact CD1-CB 3.71Å; F264-D412 WeakPolarHBondContact CD1-OD2 3.28Å; F264-D412 HydrophobicContact CE1-CB 4.28Å; F264-D412 VanDerWaalsContact CE1-OD2 3.24Å; F264-D412 WeakPolarHBondContact CE1-OD2 3.19Å; V265-D412 PolarHBondContact N-O 3.36Å; D412-F414 HydrophobicContact CB-CD1 4.38Å
413I98Very high94.9Very high1 Ų127 Ų271%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-117.4119.5176.7-58.3171.7000108.5F86 V89 G209 L210 V239 I241 V265 L411F86-I413 HydrophobicContact CZ-CB 4.29Å; F86-I413 HydrophobicContact CZ-CG2 3.99Å; F86-I413 WeakPolarHBondContact CZ-O 3.3Å; V89-I413 HydrophobicContact CB-CD1 4.22Å; V89-I413 HydrophobicContact CG1-CD1 3.39Å; V89-I413 HydrophobicContact CG2-CD1 3.74Å; G209-I413 CarbonylContact C-O 3.58Å; G209-I413 WeakPolarHBondContact CA-O 3.27Å; L210-I413 PolarHBondContact N-O 2.62Å; L210-I413 PolarHBondContact O-N 3.32Å; V239-I413 HydrophobicContact CG1-CD1 4.27Å; I241-I413 HydrophobicContact CD1-CD1 4.15Å; I241-I413 HydrophobicContact CD1-CG1 4.4Å; I241-I413 HydrophobicContact CD1-CG2 3.79Å; I241-I413 HydrophobicContact CG1-CD1 4.33Å; V265-I413 HydrophobicContact CB-CG1 4.15Å; V265-I413 HydrophobicContact CG2-CG1 4.41Å; L411-I413 HydrophobicContact CD1-CG1 4.23Å; L411-I413 HydrophobicContact CD2-CD1 3.98Å; L411-I413 HydrophobicContact CD2-CG1 4.36Å; L411-I413 HydrophobicContact CG-CD1 4.23Å; L411-I413 HydrophobicContact CG-CG1 4.06Å
414F97.3Very high94.9Very high24 Ų2429 Ų2911%0.10515%0.153CC..EExtended strand (participates in β ladder)trans-147.2163.8-17758-87.5000111.1G205 M206 F264 V265 C267 D412G205-F414 WeakPolarHBondContact O-CB 3.36Å; M206-F414 HydrophobicContact CB-CD1 3.97Å; M206-F414 HydrophobicContact CB-CE1 4.03Å; M206-F414 HydrophobicContact CB-CG 4.43Å; F264-F414 HydrophobicContact CB-CE1 4.09Å; F264-F414 HydrophobicContact CD1-CE1 4.37Å; V265-F414 PolarHBondContact O-N 2.83Å; C267-F414 WeakPolarHBondContact CB-O 3.32Å; C267-F414 PolarHBondContact N-O 3.25Å; D412-F414 HydrophobicContact CB-CD1 4.38Å
415F96.4Very high94.9Very high4 Ų430.6 Ų30.62%0.01816%0.16CC..EExtended strand (participates in β ladder)trans-85.9137.8169.1-70.7-75.5000110.6L84 F86 T201 G204 G205 C267 Q269 Y375L84-F415 HydrophobicContact CB-CE2 4.19Å; L84-F415 HydrophobicContact CB-CZ 4.45Å; L84-F415 HydrophobicContact CD1-CD1 4.36Å; L84-F415 HydrophobicContact CD1-CG 4.37Å; F86-F415 HydrophobicContact CD2-CD2 4.38Å; F86-F415 HydrophobicContact CD2-CE2 4.03Å; T201-F415 HydrophobicContact CG2-CD2 3.45Å; T201-F415 VanDerWaalsContact CG2-CD2 3.45Å; T201-F415 HydrophobicContact CG2-CE2 3.88Å; T201-F415 HydrophobicContact CG2-CG 4.49Å; G204-F415 CarbonylContact C-O 3.54Å; G204-F415 WeakPolarHBondContact CA-O 3.1Å; G205-F415 PolarHBondContact N-O 2.88Å; C267-F415 HydrophobicContact CB-CD1 4.09Å; C267-F415 HydrophobicContact CB-CE1 4.33Å; C267-F415 VanDerWaalsContact O-CA 3.29Å; C267-F415 WeakPolarHBondContact O-CA 3.27Å; C267-F415 WeakPolarHBondContact O-CD1 3.33Å; Q269-F415 HydrophobicContact CB-CE1 4.01Å; Y375-F415 AromaticContact CD1-CE1 3.99Å; Y375-F415 HydrophobicContact CD1-CE1 3.99Å; Y375-F415 HydrophobicContact CD1-CZ 4.36Å; Y375-F415 AromaticContact CE1-CE1 3.92Å; Y375-F415 HydrophobicContact CE1-CE1 3.92Å; Y375-F415 AromaticContact CE1-CZ 3.88Å; Y375-F415 HydrophobicContact CE1-CZ 3.88Å
416E91.9Very high94.9Very high117 Ų11732.9 Ų32.955%0.54716%0.163SC..EExtended strand (participates in β ladder)trans-59.2-55.9176.7-172178.9163.800111.1S266 C267S266-E416 WeakPolarHBondContact OG-CB 3.43Å; C267-E416 PolarHBondContact O-N 2.79Å; C267-E416 VanDerWaalsContact O-N 3.12Å
417A89.4Confident94.8Very high39 Ų3930.9 Ų30.932%0.32215%0.152SC..EExtended strand (participates in β ladder)trans-134.5169.2175.400000109.6N419A417-N419 PolarHBondContact O-N 2.81Å
418L87.4Confident94.7Very high36 Ų3631.8 Ų31.819%0.18816%0.16CC..EExtended strand (participates in β ladder)trans-89.953.2174.5-62.3178.6000111.6S81 L84 T201 T202S81-L418 PolarHBondContact N-O 2.88Å; S81-L418 WeakPolarHBondContact O-CB 3.45Å; L84-L418 HydrophobicContact CD1-CD2 4.28Å; L84-L418 HydrophobicContact CG-CD2 4.44Å; T201-L418 HydrophobicContact CG2-CD2 3.86Å; T202-L418 WeakPolarHBondContact O-CD1 3.5Å
419N88.1Confident94.5Very high29 Ų2932.6 Ų32.616%0.15516%0.163CC..EExtended strand (participates in β ladder)trans-120.6155.2170.953.811.5000109E78 R79 A417E78-N419 HydrophobicContact CG-CB 4.02Å; E78-N419 VanDerWaalsContact OE1-CG 3.25Å; E78-N419 PolarHBondContact OE1-ND2 3.23Å; R79-N419 CarbonylContact O-C 3.51Å; R79-N419 WeakPolarHBondContact O-CA 3.47Å; R79-N419 WeakPolarHBondContact O-CB 3.27Å; A417-N419 PolarHBondContact O-N 2.81Å
420Y90.5Very high94.3Very high43 Ų4337 Ų3717%0.16918%0.184CC..EExtended strand (participates in β ladder)trans-126.6138.3170.563.7-81.4000108.2R79 L84 Q269 Q271 T422R79-Y420 HydrophobicContact CB-CD1 4.18Å; R79-Y420 HydrophobicContact CB-CD2 4.43Å; R79-Y420 HydrophobicContact CB-CE1 3.62Å; R79-Y420 HydrophobicContact CB-CE2 3.93Å; R79-Y420 VanDerWaalsContact CB-CZ 3.47Å; R79-Y420 VanDerWaalsContact CD-OH 3.27Å; R79-Y420 WeakPolarHBondContact CD-OH 3.5Å; R79-Y420 HydrophobicContact CG-CE2 4.42Å; R79-Y420 PolarHBondContact N-O 3.47Å; R79-Y420 WeakPolarHBondContact O-CD1 3.39Å; R79-Y420 PolarHBondContact O-N 3.35Å; L84-Y420 HydrophobicContact CD2-CD1 4.11Å; Q269-Y420 CarbonylContact O-C 3.6Å; Q269-Y420 VanDerWaalsContact O-CA 3.27Å; Q269-Y420 WeakPolarHBondContact O-CA 3.28Å; Q271-Y420 HydrophobicContact CG-CD2 4.21Å; Y420-T422 HydrophobicContact CD2-CG2 3.65Å; Y420-T422 HydrophobicContact CE2-CG2 3.41Å; Y420-T422 VanDerWaalsContact CE2-CG2 3.41Å
421E94Very high94.1Very high41 Ų4142 Ų4219%0.19221%0.208CC..EExtended strand (participates in β ladder)trans-84.1137.6174-167.7-17517500108.6Q269 Q270 Q271 V423Q269-E421 PolarHBondContact O-N 2.9Å; Q270-E421 CarbonylContact C-O 3.29Å; Q270-E421 VanDerWaalsContact CA-O 3.32Å; Q270-E421 WeakPolarHBondContact CA-O 3.27Å; Q270-E421 HydrophobicContact CG-CB 4.19Å; Q270-E421 PolarHBondContact NE2-OE2 2.94Å; Q271-E421 PolarHBondContact N-O 2.9Å; E421-V423 HydrophobicContact CG-CG2 4.29Å
422T94.7Very high94Very high13 Ų1345.6 Ų45.68%0.0823%0.233CC..EExtended strand (participates in β ladder)trans-112.5123.9171.758.30000108.7L76 D77 Q271 Y420L76-T422 WeakPolarHBondContact CA-O 3.46Å; D77-T422 WeakPolarHBondContact CB-OG1 3.31Å; D77-T422 PolarHBondContact N-O 2.79Å; D77-T422 PolarHBondContact O-N 2.93Å; D77-T422 PolarHBondContact O-OG1 2.89Å; Q271-T422 HydrophobicContact CB-CG2 4.38Å; Q271-T422 WeakPolarHBondContact O-CA 3.37Å; Y420-T422 HydrophobicContact CD2-CG2 3.65Å; Y420-T422 HydrophobicContact CE2-CG2 3.41Å; Y420-T422 VanDerWaalsContact CE2-CG2 3.41Å
423V95.3Very high93.8Very high29 Ų2949.5 Ų49.518%0.17625%0.251CS..EExtended strand (participates in β ladder)trans-115.597.8177.9-176.10000107.2T74 L76 Q271 L272 S273 E421T74-V423 HydrophobicContact CG2-CG1 3.75Å; L76-V423 HydrophobicContact CD2-CB 4.03Å; L76-V423 HydrophobicContact CD2-CG1 3.74Å; L76-V423 HydrophobicContact CD2-CG2 3.62Å; Q271-V423 PolarHBondContact O-N 3.5Å; L272-V423 WeakPolarHBondContact CA-O 3.2Å; S273-V423 PolarHBondContact N-O 2.88Å; E421-V423 HydrophobicContact CG-CG2 4.29Å
424E95.5Very high93.6Very high66 Ų6650.3 Ų50.331%0.30826%0.255SS..EExtended strand (participates in β ladder)trans-115.6123.9-172.5-176-177.8-172.200111.4T74 A75 K426T74-E424 CarbonylContact C-O 3.51Å; T74-E424 WeakPolarHBondContact CA-O 3.27Å; A75-E424 PolarHBondContact N-O 3.42Å; A75-E424 PolarHBondContact O-N 2.89Å; E424-K426 HydrophobicContact CG-CG 4.08Å; E424-K426 WeakPolarHBondContact OE2-CE 3.43Å; E424-K426 IonicContact OE2-NZ 2.75Å; E424-K426 PolarHBondContact OE2-NZ 3.04Å
425Q95.7Very high93.5Very high33 Ų3354.9 Ų54.915%0.15428%0.28CS..EExtended strand (participates in β ladder)trans-79.1119.4166.8-68.9-174.8-27.400110.1H72 Q73 S273 F274 L275H72-Q425 PolarHBondContact NE2-NE2 3.18Å; Q73-Q425 WeakPolarHBondContact O-CA 3.44Å; S273-Q425 PolarHBondContact O-N 3.04Å; F274-Q425 HydrophobicContact CD1-CG 4.26Å; L275-Q425 HydrophobicContact CD1-CB 4.06Å; L275-Q425 WeakPolarHBondContact CD2-O 3.31Å; L275-Q425 HydrophobicContact CG-CB 3.85Å; L275-Q425 VanDerWaalsContact CG-O 3.28Å; L275-Q425 WeakPolarHBondContact CG-O 3.48Å; L275-Q425 VanDerWaalsContact N-OE1 3.14Å
426K95Very high93.5Very high89 Ų8956.9 Ų56.939%0.38730%0.302SS..EExtended strand (participates in β ladder)trans-110.4145.1175.8-65.6-173.8178.5176.20110.4H72 Q73 A75 E424 A428H72-K426 CarbonylContact C-O 3.53Å; H72-K426 VanDerWaalsContact CA-O 3.24Å; H72-K426 WeakPolarHBondContact CA-O 3.3Å; H72-K426 WeakPolarHBondContact CB-O 3.34Å; Q73-K426 HydrophobicContact CG-CB 4.23Å; Q73-K426 PolarHBondContact N-O 3.1Å; Q73-K426 PolarHBondContact O-N 2.9Å; A75-K426 HydrophobicContact CB-CD 4.24Å; E424-K426 HydrophobicContact CG-CG 4.08Å; E424-K426 WeakPolarHBondContact OE2-CE 3.43Å; E424-K426 IonicContact OE2-NZ 2.75Å; E424-K426 PolarHBondContact OE2-NZ 3.04Å; K426-A428 PolarHBondContact O-N 2.86Å
427K95.5Very high93.6Very high68 Ų6854.1 Ų54.130%0.29629%0.291SS..EExtended strand (participates in β ladder)trans-61.7124.1172.7-60.9175.6-174.9173.90107.5L275 W279 Y429 E430L275-K427 HydrophobicContact CD1-CG 4.02Å; L275-K427 HydrophobicContact CD2-CG 4.43Å; W279-K427 HydrophobicContact CD2-CD 4.09Å; W279-K427 HydrophobicContact CD2-CG 4.18Å; W279-K427 HydrophobicContact CG-CG 4.11Å; W279-K427 HydrophobicContact CH2-CD 4.43Å; W279-K427 HydrophobicContact CZ2-CD 3.87Å; K427-Y429 VanDerWaalsContact C-N 3.3Å; K427-E430 HydrophobicContact CB-CG 3.96Å; K427-E430 HydrophobicContact CD-CG 4.35Å
428A94.2Very high93.9Very high23 Ų2354.1 Ų54.119%0.1929%0.285CS..SBendtrans-79.8-20-178.200000111.9H71 Q73 K426H71-A428 HydrophobicContact CB-CB 4.13Å; H71-A428 WeakPolarHBondContact O-CB 3.37Å; H71-A428 PolarHBondContact O-N 2.81Å; Q73-A428 HydrophobicContact CB-CB 4.33Å; Q73-A428 HydrophobicContact CG-CB 4.28Å; K426-A428 PolarHBondContact O-N 2.86Å
429Y94.3Very high94.2Very high20 Ų2054 Ų548%0.07829%0.292CS..SBendtrans-145.3111.5177.6-158.6-122.5000111.4Y66 Y67 K427 E433 L434 D437Y66-Y429 AromaticContact CD1-CD1 3.96Å; Y66-Y429 HydrophobicContact CD1-CD1 3.96Å; Y66-Y429 HydrophobicContact CD1-CE1 4.43Å; Y66-Y429 HydrophobicContact CD1-CG 4.06Å; Y66-Y429 HydrophobicContact CE1-CD1 4.41Å; Y66-Y429 HydrophobicContact CE1-CD2 4.46Å; Y66-Y429 HydrophobicContact CE1-CG 4.05Å; Y67-Y429 AromaticContact CD2-CD1 3.76Å; Y67-Y429 HydrophobicContact CD2-CD1 3.76Å; Y67-Y429 HydrophobicContact CD2-CE1 4.26Å; Y67-Y429 HydrophobicContact CG-CD1 4.36Å; K427-Y429 VanDerWaalsContact C-N 3.3Å; Y429-E433 WeakPolarHBondContact CA-OE2 3.39Å; Y429-E433 HydrophobicContact CD2-CB 3.78Å; Y429-E433 HydrophobicContact CE2-CB 3.62Å; Y429-L434 HydrophobicContact CE1-CB 3.79Å; Y429-L434 HydrophobicContact CE1-CD1 3.91Å; Y429-L434 HydrophobicContact CE1-CG 4.44Å; Y429-L434 WeakPolarHBondContact OH-CA 3.46Å; Y429-D437 WeakPolarHBondContact CE2-OD2 3.49Å; Y429-D437 WeakPolarHBondContact OH-CB 3.33Å; Y429-D437 PolarHBondContact OH-OD2 2.87Å
430E93.9Very high94.5Very high91 Ų9154.7 Ų54.743%0.42531%0.306SS..  trans-96.2168-179.8-65.2-158.315600113.2K427 S432 E433 L434K427-E430 HydrophobicContact CB-CG 3.96Å; K427-E430 HydrophobicContact CD-CG 4.35Å; E430-S432 PolarHBondContact O-N 3.15Å; E430-E433 PolarHBondContact N-OE2 2.97Å; E430-E433 PolarHBondContact O-N 2.81Å; E430-L434 PolarHBondContact O-N 2.7Å
431M93.8Very high94.6Very high108 Ų10854.7 Ų54.753%0.53231%0.308SS..Hα-helixtrans-61.1-33.9176.9-70.6-64.6-162.700112.5Y67 L434 L435Y67-M431 HydrophobicContact CD2-SD 4.47Å; Y67-M431 HydrophobicContact CE1-CE 3.56Å; Y67-M431 HydrophobicContact CE1-SD 3.69Å; Y67-M431 HydrophobicContact CE2-CE 4.3Å; Y67-M431 HydrophobicContact CE2-CG 4.19Å; Y67-M431 HydrophobicContact CE2-SD 3.61Å; Y67-M431 WeakPolarHBondContact OH-CE 3.39Å; Y67-M431 PolarHBondContact OH-SD 2.89Å; M431-L434 PolarHBondContact O-N 2.95Å; M431-L434 HydrophobicContact SD-CD2 4.37Å; M431-L435 WeakPolarHBondContact O-CB 3.29Å; M431-L435 VanDerWaalsContact O-CG 3.3Å; M431-L435 WeakPolarHBondContact O-CG 3.38Å; M431-L435 PolarHBondContact O-N 2.94Å
432S94.6Very high94.5Very high76 Ų7653.9 Ų53.953%0.53130%0.304SS..Hα-helixtrans-62-44.7175.844.80000111.4E430 L435 G436E430-S432 PolarHBondContact O-N 3.15Å; S432-L435 PolarHBondContact O-N 3.38Å; S432-G436 PolarHBondContact O-N 2.95Å
433E94.1Very high94.5Very high90 Ų9055 Ų5542%0.42132%0.319SS..Hα-helixtrans-68.8-40.8177.6-64.1171.5144.600111.2Y429 E430 L435 G436 D437Y429-E433 WeakPolarHBondContact CA-OE2 3.39Å; Y429-E433 HydrophobicContact CD2-CB 3.78Å; Y429-E433 HydrophobicContact CE2-CB 3.62Å; E430-E433 PolarHBondContact N-OE2 2.97Å; E430-E433 PolarHBondContact O-N 2.81Å; E433-L435 PolarHBondContact O-N 3.25Å; E433-G436 PolarHBondContact O-N 2.86Å; E433-D437 WeakPolarHBondContact O-CB 3.24Å; E433-D437 PolarHBondContact O-N 3.38Å
434L95.2Very high94.3Very high17 Ų1759.8 Ų59.89%0.08934%0.343CS..Hα-helixtrans-57.7-49.1172.5177.767.4000112.1R63 V64 Y67 Y429 E430 M431 G436 D437 I438R63-L434 HydrophobicContact CB-CD1 4.1Å; V64-L434 HydrophobicContact CG2-CD1 4.3Å; Y67-L434 HydrophobicContact CD1-CD2 4.03Å; Y67-L434 HydrophobicContact CD2-CB 4.19Å; Y67-L434 HydrophobicContact CD2-CD2 4Å; Y67-L434 HydrophobicContact CG-CD2 3.76Å; Y429-L434 HydrophobicContact CE1-CB 3.79Å; Y429-L434 HydrophobicContact CE1-CD1 3.91Å; Y429-L434 HydrophobicContact CE1-CG 4.44Å; Y429-L434 WeakPolarHBondContact OH-CA 3.46Å; E430-L434 PolarHBondContact O-N 2.7Å; M431-L434 PolarHBondContact O-N 2.95Å; M431-L434 HydrophobicContact SD-CD2 4.37Å; L434-G436 VanDerWaalsContact C-N 3.33Å; L434-D437 PolarHBondContact O-N 2.84Å; L434-I438 HydrophobicContact CD1-CD1 3.83Å; L434-I438 HydrophobicContact CD1-CG1 4.26Å; L434-I438 HydrophobicContact CG-CD1 3.89Å; L434-I438 WeakPolarHBondContact O-CB 3.45Å; L434-I438 VanDerWaalsContact O-CG1 3.25Å; L434-I438 WeakPolarHBondContact O-CG1 3.35Å; L434-I438 PolarHBondContact O-N 2.83Å
435L94.4Very high94.2Very high120 Ų12059.3 Ų59.363%0.62834%0.34SS*.Hα-helixtrans-67.1-36.1178.6-70.7173.5000111.8M431 S432 E433 G439M431-L435 WeakPolarHBondContact O-CB 3.29Å; M431-L435 VanDerWaalsContact O-CG 3.3Å; M431-L435 WeakPolarHBondContact O-CG 3.38Å; M431-L435 PolarHBondContact O-N 2.94Å; S432-L435 PolarHBondContact O-N 3.38Å; E433-L435 PolarHBondContact O-N 3.25Å; L435-G439 PolarHBondContact O-N 3.05Å
436G95.3Very high93.9Very high46 Ų4658.6 Ų58.647%0.47434%0.337SS..Hα-helixtrans-61.2-47.6173.800000112.1S432 E433 L434 G439 G440S432-G436 PolarHBondContact O-N 2.95Å; E433-G436 PolarHBondContact O-N 2.86Å; L434-G436 VanDerWaalsContact C-N 3.33Å; G436-G439 PolarHBondContact O-N 3.36Å; G436-G440 PolarHBondContact O-N 3.02Å
437D95.3Very high93.6Very high59 Ų5955.2 Ų55.232%0.31633%0.327SS..Hα-helixtrans-67.2-46177.9-77.4-17000111.7R63 Y429 E433 L434 G439 G440 Q441R63-D437 HydrophobicContact CG-CB 4.49Å; Y429-D437 WeakPolarHBondContact CE2-OD2 3.49Å; Y429-D437 WeakPolarHBondContact OH-CB 3.33Å; Y429-D437 PolarHBondContact OH-OD2 2.87Å; E433-D437 WeakPolarHBondContact O-CB 3.24Å; E433-D437 PolarHBondContact O-N 3.38Å; L434-D437 PolarHBondContact O-N 2.84Å; D437-G439 VanDerWaalsContact C-N 3.34Å; D437-G439 PolarHBondContact O-N 2.81Å; D437-G440 PolarHBondContact O-N 2.86Å; D437-Q441 WeakPolarHBondContact O-CB 3.38Å; D437-Q441 WeakPolarHBondContact O-CG 3.44Å; D437-Q441 PolarHBondContact O-N 3.29Å
438I94.5Very high93.3Very high40 Ų4052.5 Ų52.521%0.20532%0.317CS..Hα-helixtrans-60.3-47176.3-68.4171.7000110.3V60 V64 L434 Q441 M442V60-I438 HydrophobicContact CG1-CD1 4.37Å; V60-I438 HydrophobicContact CG1-CG1 4.32Å; V60-I438 HydrophobicContact CG2-CG1 4.33Å; V60-I438 HydrophobicContact CG2-CG2 4.37Å; V64-I438 HydrophobicContact CG2-CD1 4.41Å; L434-I438 HydrophobicContact CD1-CD1 3.83Å; L434-I438 HydrophobicContact CD1-CG1 4.26Å; L434-I438 HydrophobicContact CG-CD1 3.89Å; L434-I438 WeakPolarHBondContact O-CB 3.45Å; L434-I438 VanDerWaalsContact O-CG1 3.25Å; L434-I438 WeakPolarHBondContact O-CG1 3.35Å; L434-I438 PolarHBondContact O-N 2.83Å; I438-Q441 PolarHBondContact O-N 3.17Å; I438-M442 VanDerWaalsContact O-CB 3.23Å; I438-M442 WeakPolarHBondContact O-CB 3.44Å; I438-M442 PolarHBondContact O-N 3.16Å
439G93.8Very high93.1Very high32 Ų3253.9 Ų53.933%0.3333%0.325SS..Hα-helixtrans-61.6-44.3178.400000112.4L435 G436 D437 M442 G443L435-G439 PolarHBondContact O-N 3.05Å; G436-G439 PolarHBondContact O-N 3.36Å; D437-G439 VanDerWaalsContact C-N 3.34Å; D437-G439 PolarHBondContact O-N 2.81Å; G439-M442 PolarHBondContact O-N 2.97Å; G439-G443 PolarHBondContact O-N 3.04Å
440G94.3Very high92.8Very high44 Ų4458.9 Ų58.945%0.45435%0.353SS..Hα-helixtrans-63-46.2176.700000112.7G436 D437 G443 L444G436-G440 PolarHBondContact O-N 3.02Å; D437-G440 PolarHBondContact O-N 2.86Å; G440-G443 PolarHBondContact O-N 2.7Å; G440-L444 VanDerWaalsContact O-CB 3.29Å; G440-L444 WeakPolarHBondContact O-CB 3.22Å; G440-L444 PolarHBondContact O-N 3.29Å
441Q93.2Very high92.7Very high44 Ų4460 Ų6021%0.20636%0.361CS..Hα-helixtrans-67.7-37.3178-64.5-62.3-15.400112.1F56 D437 I438 L444 F445F56-Q441 HydrophobicContact CD2-CB 4.02Å; F56-Q441 HydrophobicContact CE2-CB 4.28Å; D437-Q441 WeakPolarHBondContact O-CB 3.38Å; D437-Q441 WeakPolarHBondContact O-CG 3.44Å; D437-Q441 PolarHBondContact O-N 3.29Å; I438-Q441 PolarHBondContact O-N 3.17Å; Q441-L444 PolarHBondContact O-N 2.99Å; Q441-F445 HydrophobicContact CB-CD2 4.41Å; Q441-F445 WeakPolarHBondContact O-CD2 3.21Å; Q441-F445 PolarHBondContact O-N 3.17Å
442M92.7Very high92.5Very high23 Ų2355 Ų5511%0.11334%0.337CS..Hα-helixtrans-64.2-45.3175.8-176177.655.500111.3F56 I438 G439 I446 G447 A448 I453F56-M442 HydrophobicContact CD2-CB 4.37Å; F56-M442 VanDerWaalsContact CE2-CA 3.43Å; F56-M442 HydrophobicContact CE2-CB 3.54Å; F56-M442 HydrophobicContact CE2-CG 4.27Å; F56-M442 HydrophobicContact CZ-CB 3.86Å; F56-M442 HydrophobicContact CZ-CG 4.13Å; I438-M442 VanDerWaalsContact O-CB 3.23Å; I438-M442 WeakPolarHBondContact O-CB 3.44Å; I438-M442 PolarHBondContact O-N 3.16Å; G439-M442 PolarHBondContact O-N 2.97Å; M442-I446 WeakPolarHBondContact O-CB 3.49Å; M442-I446 PolarHBondContact O-N 2.78Å; M442-I446 VanDerWaalsContact O-N 3.14Å; M442-G447 PolarHBondContact O-N 3.2Å; M442-A448 HydrophobicContact CG-CB 3.74Å; M442-A448 PolarHBondContact O-N 2.87Å; M442-A448 HydrophobicContact SD-CB 4.13Å; M442-I453 HydrophobicContact SD-CD1 3.87Å; M442-I453 HydrophobicContact SD-CG1 4.32Å
443G93.3Very high92.2Very high37 Ų3754.9 Ų54.938%0.38133%0.33SS..Hα-helixtrans-63.2-39.8174.600000112.6G439 G440 G447G439-G443 PolarHBondContact O-N 3.04Å; G440-G443 PolarHBondContact O-N 2.7Å; G443-G447 VanDerWaalsContact O-CA 3.25Å; G443-G447 WeakPolarHBondContact O-CA 3.49Å; G443-G447 PolarHBondContact O-N 3.46Å; G443-G447 VanDerWaalsContact O-N 3.17Å
444L92.9Very high92.1Very high129 Ų12955.2 Ų55.268%0.67533%0.333SS*.Hα-helixtrans-71.2-50.4-177.9-178.963.2000113.5G440 Q441G440-L444 VanDerWaalsContact O-CB 3.29Å; G440-L444 WeakPolarHBondContact O-CB 3.22Å; G440-L444 PolarHBondContact O-N 3.29Å; Q441-L444 PolarHBondContact O-N 2.99Å
445F92Very high91.8Very high56 Ų5657.8 Ų57.825%0.24635%0.345CS..Hα-helixtrans-84.4-37.9-173-76-65.2000113.5S52 T55 F56 Q59 Q441S52-F445 VanDerWaalsContact CB-O 3.3Å; S52-F445 WeakPolarHBondContact CB-O 3.17Å; T55-F445 HydrophobicContact CG2-CD1 4.46Å; T55-F445 HydrophobicContact CG2-CE1 3.65Å; T55-F445 HydrophobicContact CG2-CE2 4.04Å; T55-F445 HydrophobicContact CG2-CZ 3.41Å; T55-F445 VanDerWaalsContact CG2-CZ 3.41Å; F56-F445 HydrophobicContact CB-CB 3.98Å; F56-F445 HydrophobicContact CB-CD2 4.02Å; F56-F445 HydrophobicContact CB-CG 4.24Å; Q59-F445 HydrophobicContact CG-CE2 4.29Å; Q441-F445 HydrophobicContact CB-CD2 4.41Å; Q441-F445 WeakPolarHBondContact O-CD2 3.21Å; Q441-F445 PolarHBondContact O-N 3.17Å
446I89.3Confident91.5Very high19 Ų1954.9 Ų54.910%0.09733%0.33CS..THydrogen-bonded Turntrans-109.9-21.7-169.9-58.4178.3000111M26 H27 V53 F56 M442 A448M26-I446 HydrophobicContact CG-CG2 3.42Å; M26-I446 VanDerWaalsContact CG-CG2 3.42Å; M26-I446 HydrophobicContact SD-CG2 3.5Å; M26-I446 WeakPolarHBondContact SD-CG2 3.42Å; H27-I446 WeakPolarHBondContact CB-O 3.14Å; H27-I446 PolarHBondContact N-O 2.89Å; V53-I446 HydrophobicContact CG2-CD1 4.05Å; V53-I446 HydrophobicContact CG2-CG1 4.2Å; F56-I446 HydrophobicContact CB-CD1 4.14Å; F56-I446 HydrophobicContact CB-CG1 4.43Å; F56-I446 HydrophobicContact CD1-CD1 3.39Å; F56-I446 HydrophobicContact CD1-CG1 4.47Å; F56-I446 HydrophobicContact CE1-CD1 3.87Å; F56-I446 HydrophobicContact CG-CD1 3.77Å; F56-I446 HydrophobicContact CG-CG1 4.41Å; M442-I446 WeakPolarHBondContact O-CB 3.49Å; M442-I446 PolarHBondContact O-N 2.78Å; M442-I446 VanDerWaalsContact O-N 3.14Å; I446-A448 HydrophobicContact CB-CB 4.1Å; I446-A448 HydrophobicContact CG2-CB 3.61Å; I446-A448 PolarHBondContact O-N 3Å
447G89.2Confident91.3Very high17 Ų1757 Ų5718%0.17533%0.33CS..  trans67.719-168.600000112.6M442 G443M442-G447 PolarHBondContact O-N 3.2Å; G443-G447 VanDerWaalsContact O-CA 3.25Å; G443-G447 WeakPolarHBondContact O-CA 3.49Å; G443-G447 PolarHBondContact O-N 3.46Å; G443-G447 VanDerWaalsContact O-N 3.17Å
448A88.7Confident91Very high12 Ų1259.1 Ų59.110%0.09934%0.341CS..  trans-92.5155.6-17800000111.4M442 I446 T452M442-A448 HydrophobicContact CG-CB 3.74Å; M442-A448 PolarHBondContact O-N 2.87Å; M442-A448 HydrophobicContact SD-CB 4.13Å; I446-A448 HydrophobicContact CB-CB 4.1Å; I446-A448 HydrophobicContact CG2-CB 3.61Å; I446-A448 PolarHBondContact O-N 3Å; A448-T452 WeakPolarHBondContact CA-OG1 3.41Å; A448-T452 HydrophobicContact CB-CG2 3.73Å
449S91Very high90.7Very high51 Ų5158.8 Ų58.836%0.35734%0.337SS..  trans-124.4179.7169.3700000110.1L451 T452 I453S449-L451 PolarHBondContact O-N 2.87Å; S449-L451 PolarHBondContact OG-N 3.19Å; S449-T452 PolarHBondContact N-OG1 3.31Å; S449-T452 WeakPolarHBondContact O-CB 3.38Å; S449-T452 PolarHBondContact O-N 3.1Å; S449-I453 PolarHBondContact O-N 2.63Å
450L88.4Confident90.5Very high125 Ų12561.9 Ų61.965%0.65435%0.346SS*.Hα-helixtrans-55.2-34.8169.7-177.862.2000111.9I453 L454L450-I453 PolarHBondContact O-N 3.19Å; L450-L454 PolarHBondContact O-N 3.04Å
451L90.8Very high90.2Very high116 Ų11663.7 Ų63.761%0.60735%0.351SS*.Hα-helixtrans-65.9-38.7176.7-63.1173.9000111.6S449 I453 L454 E455S449-L451 PolarHBondContact O-N 2.87Å; S449-L451 PolarHBondContact OG-N 3.19Å; L451-I453 VanDerWaalsContact C-N 3.27Å; L451-I453 PolarHBondContact O-N 3.02Å; L451-L454 HydrophobicContact CD2-CD1 4.37Å; L451-L454 WeakPolarHBondContact O-CB 3.31Å; L451-L454 PolarHBondContact O-N 2.92Å; L451-L454 VanDerWaalsContact O-N 3.09Å; L451-E455 WeakPolarHBondContact O-CG 3.5Å; L451-E455 PolarHBondContact O-N 3.14Å
452T90Very high89.9Confident2 Ų265.3 Ų65.31%0.01236%0.358CS..Hα-helixtrans-61-37.1175.2-46.40000111.8S25 M26 A448 S449 E455 I456S25-T452 VanDerWaalsContact OG-CB 3.27Å; S25-T452 WeakPolarHBondContact OG-CB 3.24Å; S25-T452 VanDerWaalsContact OG-CG2 3.27Å; S25-T452 WeakPolarHBondContact OG-CG2 3.44Å; S25-T452 PolarHBondContact OG-OG1 3.34Å; M26-T452 HydrophobicContact CB-CG2 4.04Å; A448-T452 WeakPolarHBondContact CA-OG1 3.41Å; A448-T452 HydrophobicContact CB-CG2 3.73Å; S449-T452 PolarHBondContact N-OG1 3.31Å; S449-T452 WeakPolarHBondContact O-CB 3.38Å; S449-T452 PolarHBondContact O-N 3.1Å; T452-E455 PolarHBondContact O-N 2.93Å; T452-I456 HydrophobicContact CG2-CD1 4.35Å; T452-I456 VanDerWaalsContact O-CG1 3.3Å; T452-I456 WeakPolarHBondContact O-CG1 3.4Å; T452-I456 PolarHBondContact O-N 3.13Å
453I88Confident89.5Confident74 Ų7465.5 Ų65.538%0.37936%0.36SS..Hα-helixtrans-64.6-43.5174.6-61.7174.3000110.3M442 S449 L450 L451 I456 L457M442-I453 HydrophobicContact SD-CD1 3.87Å; M442-I453 HydrophobicContact SD-CG1 4.32Å; S449-I453 PolarHBondContact O-N 2.63Å; L450-I453 PolarHBondContact O-N 3.19Å; L451-I453 VanDerWaalsContact C-N 3.27Å; L451-I453 PolarHBondContact O-N 3.02Å; I453-I456 PolarHBondContact O-N 3.09Å; I453-L457 HydrophobicContact CG2-CD1 4.11Å; I453-L457 HydrophobicContact CG2-CG 4.44Å; I453-L457 WeakPolarHBondContact O-CG 3.25Å; I453-L457 PolarHBondContact O-N 3.23Å
454L91.5Very high89.1Confident96 Ų9670 Ų7050%0.50337%0.37SS..Hα-helixtrans-63.3-40.1176.2-64.7173.9000112L450 L451 I456 L457 D458L450-L454 PolarHBondContact O-N 3.04Å; L451-L454 HydrophobicContact CD2-CD1 4.37Å; L451-L454 WeakPolarHBondContact O-CB 3.31Å; L451-L454 PolarHBondContact O-N 2.92Å; L451-L454 VanDerWaalsContact O-N 3.09Å; L454-I456 VanDerWaalsContact C-N 3.35Å; L454-I456 PolarHBondContact O-N 3.14Å; L454-L457 PolarHBondContact O-N 2.79Å; L454-D458 WeakPolarHBondContact O-CB 3.33Å; L454-D458 PolarHBondContact O-N 3.09Å
455E90Very high88.7Confident72 Ų7272.1 Ų72.134%0.33637%0.369SS..Hα-helixtrans-58.3-44.7173.2-73172.2-172.800111.8S25 L451 T452 D458 Y459S25-E455 PolarHBondContact N-OE2 2.63Å; S25-E455 VanDerWaalsContact N-OE2 3.09Å; S25-E455 PolarHBondContact OG-OE2 2.86Å; L451-E455 WeakPolarHBondContact O-CG 3.5Å; L451-E455 PolarHBondContact O-N 3.14Å; T452-E455 PolarHBondContact O-N 2.93Å; E455-D458 PolarHBondContact O-N 2.8Å; E455-Y459 PolarHBondContact O-N 3.24Å
456I87.5Confident88.2Confident59 Ų5973.1 Ų73.130%0.30338%0.377SS..Hα-helixtrans-65.3-42.8177.7-66.7165.1000110.7F20 T452 I453 L454 Y459 L460F20-I456 HydrophobicContact CE1-CG1 4.45Å; F20-I456 HydrophobicContact CZ-CB 4.46Å; F20-I456 HydrophobicContact CZ-CG1 3.91Å; T452-I456 HydrophobicContact CG2-CD1 4.35Å; T452-I456 VanDerWaalsContact O-CG1 3.3Å; T452-I456 WeakPolarHBondContact O-CG1 3.4Å; T452-I456 PolarHBondContact O-N 3.13Å; I453-I456 PolarHBondContact O-N 3.09Å; L454-I456 VanDerWaalsContact C-N 3.35Å; L454-I456 PolarHBondContact O-N 3.14Å; I456-Y459 PolarHBondContact O-N 3.37Å; I456-L460 HydrophobicContact CG2-CD1 4.08Å; I456-L460 HydrophobicContact CG2-CG 4.43Å; I456-L460 WeakPolarHBondContact O-CB 3.15Å; I456-L460 VanDerWaalsContact O-CG 3.26Å; I456-L460 WeakPolarHBondContact O-CG 3.17Å; I456-L460 PolarHBondContact O-N 3.01Å
457L90.7Very high87.6Confident91 Ų9179.6 Ų79.648%0.47640%0.404SS..Hα-helixtrans-65.4-38.7178-71.7173.8000112.3I453 L454 L460 C461I453-L457 HydrophobicContact CG2-CD1 4.11Å; I453-L457 HydrophobicContact CG2-CG 4.44Å; I453-L457 WeakPolarHBondContact O-CG 3.25Å; I453-L457 PolarHBondContact O-N 3.23Å; L454-L457 PolarHBondContact O-N 2.79Å; L457-L460 PolarHBondContact O-N 3.03Å; L457-C461 WeakPolarHBondContact O-CB 3.36Å; L457-C461 PolarHBondContact O-N 2.85Å; L457-C461 PolarHBondContact O-SG 3.12Å
458D90.1Very high86.9Confident103 Ų10381.1 Ų81.155%0.55141%0.41SS*.Hα-helixtrans-62.8-48.5175.7-169.146.5000110.7L454 E455 L460 C461 E462L454-D458 WeakPolarHBondContact O-CB 3.33Å; L454-D458 PolarHBondContact O-N 3.09Å; E455-D458 PolarHBondContact O-N 2.8Å; D458-L460 VanDerWaalsContact C-N 3.35Å; D458-L460 PolarHBondContact O-N 3.14Å; D458-C461 WeakPolarHBondContact O-CA 3.44Å; D458-C461 WeakPolarHBondContact O-CB 3.46Å; D458-C461 PolarHBondContact O-N 2.9Å; D458-C461 VanDerWaalsContact O-N 3.09Å; D458-E462 PolarHBondContact O-N 3.32Å
459Y88.1Confident86.1Confident33 Ų3384.8 Ų84.813%0.12943%0.428CS..Hα-helixtrans-58.3-43.6173.6174.5-104.6000112.8S15 I17 F20 E455 I456 C461 E462 V463S15-Y459 PolarHBondContact O-OH 3.46Å; S15-Y459 VanDerWaalsContact O-OH 3.12Å; I17-Y459 WeakPolarHBondContact CA-OH 3.35Å; I17-Y459 WeakPolarHBondContact CB-OH 3.43Å; F20-Y459 HydrophobicContact CB-CD2 3.62Å; F20-Y459 HydrophobicContact CB-CE2 3.59Å; F20-Y459 HydrophobicContact CB-CG 4.2Å; F20-Y459 AromaticContact CD1-CD1 3.99Å; F20-Y459 HydrophobicContact CD1-CD1 3.99Å; F20-Y459 HydrophobicContact CD1-CD2 4.29Å; F20-Y459 HydrophobicContact CD1-CE1 4.25Å; F20-Y459 HydrophobicContact CD1-CG 4.02Å; F20-Y459 HydrophobicContact CD2-CD1 4.35Å; F20-Y459 AromaticContact CD2-CD2 3.63Å; F20-Y459 HydrophobicContact CD2-CD2 3.63Å; F20-Y459 HydrophobicContact CD2-CE2 4.45Å; F20-Y459 AromaticContact CD2-CG 3.56Å; F20-Y459 HydrophobicContact CD2-CG 3.56Å; F20-Y459 HydrophobicContact CE1-CD1 4.19Å; F20-Y459 HydrophobicContact CE1-CG 4.31Å; F20-Y459 VanDerWaalsContact CE2-CB 3.43Å; F20-Y459 HydrophobicContact CE2-CD2 4.4Å; F20-Y459 AromaticContact CE2-CG 3.89Å; F20-Y459 HydrophobicContact CE2-CG 3.89Å; F20-Y459 HydrophobicContact CG-CD1 4.08Å; F20-Y459 AromaticContact CG-CD2 3.56Å; F20-Y459 HydrophobicContact CG-CD2 3.56Å; F20-Y459 HydrophobicContact CG-CE1 4.42Å; F20-Y459 AromaticContact CG-CE2 3.95Å; F20-Y459 HydrophobicContact CG-CE2 3.95Å; F20-Y459 AromaticContact CG-CG 3.63Å; F20-Y459 HydrophobicContact CG-CG 3.63Å; F20-Y459 HydrophobicContact CZ-CD1 4.46Å; F20-Y459 HydrophobicContact CZ-CG 4.26Å; E455-Y459 PolarHBondContact O-N 3.24Å; I456-Y459 PolarHBondContact O-N 3.37Å; Y459-C461 VanDerWaalsContact C-N 3.31Å; Y459-C461 PolarHBondContact O-N 3.02Å; Y459-E462 PolarHBondContact O-N 2.78Å; Y459-V463 HydrophobicContact CD1-CG2 4.23Å; Y459-V463 HydrophobicContact CD2-CG2 4.13Å; Y459-V463 HydrophobicContact CE1-CG2 3.75Å; Y459-V463 HydrophobicContact CE2-CG2 3.64Å; Y459-V463 HydrophobicContact CG-CG2 4.4Å; Y459-V463 VanDerWaalsContact CZ-CG2 3.42Å; Y459-V463 WeakPolarHBondContact O-CB 3.2Å; Y459-V463 VanDerWaalsContact O-CG2 3.3Å; Y459-V463 WeakPolarHBondContact O-CG2 3.45Å; Y459-V463 PolarHBondContact O-N 2.04Å
460L88.1Confident85Confident96 Ų9683.6 Ų83.650%0.50342%0.423SS..Hα-helixtrans-63-38176.2-72.3173.7000111.8I456 L457 D458 F464I456-L460 HydrophobicContact CG2-CD1 4.08Å; I456-L460 HydrophobicContact CG2-CG 4.43Å; I456-L460 WeakPolarHBondContact O-CB 3.15Å; I456-L460 VanDerWaalsContact O-CG 3.26Å; I456-L460 WeakPolarHBondContact O-CG 3.17Å; I456-L460 PolarHBondContact O-N 3.01Å; L457-L460 PolarHBondContact O-N 3.03Å; D458-L460 VanDerWaalsContact C-N 3.35Å; D458-L460 PolarHBondContact O-N 3.14Å; L460-F464 VanDerWaalsContact O-CB 3.22Å; L460-F464 WeakPolarHBondContact O-CB 3.31Å; L460-F464 PolarHBondContact O-N 3.47Å
461C88.2Confident84Confident83 Ų8384.5 Ų84.556%0.56142%0.419SS*.Hα-helixtrans-63.8-44.7173.7-70.50000111.7L457 D458 Y459 F464 R465L457-C461 WeakPolarHBondContact O-CB 3.36Å; L457-C461 PolarHBondContact O-N 2.85Å; L457-C461 PolarHBondContact O-SG 3.12Å; D458-C461 WeakPolarHBondContact O-CA 3.44Å; D458-C461 WeakPolarHBondContact O-CB 3.46Å; D458-C461 PolarHBondContact O-N 2.9Å; D458-C461 VanDerWaalsContact O-N 3.09Å; Y459-C461 VanDerWaalsContact C-N 3.31Å; Y459-C461 PolarHBondContact O-N 3.02Å; C461-F464 PolarHBondContact O-N 3.26Å; C461-R465 VanDerWaalsContact O-CB 3.32Å; C461-R465 WeakPolarHBondContact O-CB 3.43Å; C461-R465 PolarHBondContact O-N 2.93Å
462E87.4Confident83.1Confident78 Ų7885.5 Ų85.536%0.36442%0.418SS..Hα-helixtrans-62.3-46.6175.8-70.7-166.1151.500111.9A14 D458 Y459 F464 R465 D466A14-E462 WeakPolarHBondContact CB-OE2 3.41Å; D458-E462 PolarHBondContact O-N 3.32Å; Y459-E462 PolarHBondContact O-N 2.78Å; E462-F464 VanDerWaalsContact C-N 3.33Å; E462-F464 PolarHBondContact O-N 3.12Å; E462-R465 WeakPolarHBondContact O-CB 3.39Å; E462-R465 PolarHBondContact O-N 2.79Å; E462-D466 WeakPolarHBondContact O-CB 3.46Å; E462-D466 PolarHBondContact O-N 3.12Å
463V84.5Confident81.9Confident26 Ų2693.6 Ų93.616%0.15845%0.449CS..Hα-helixtrans-63.2-40.7177.4171.70000111.3Y459 D466 K467Y459-V463 HydrophobicContact CD1-CG2 4.23Å; Y459-V463 HydrophobicContact CD2-CG2 4.13Å; Y459-V463 HydrophobicContact CE1-CG2 3.75Å; Y459-V463 HydrophobicContact CE2-CG2 3.64Å; Y459-V463 HydrophobicContact CG-CG2 4.4Å; Y459-V463 VanDerWaalsContact CZ-CG2 3.42Å; Y459-V463 WeakPolarHBondContact O-CB 3.2Å; Y459-V463 VanDerWaalsContact O-CG2 3.3Å; Y459-V463 WeakPolarHBondContact O-CG2 3.45Å; Y459-V463 PolarHBondContact O-N 2.04Å; V463-D466 PolarHBondContact O-N 2.83Å; V463-K467 HydrophobicContact CG1-CD 4.1Å; V463-K467 HydrophobicContact CG1-CG 4.41Å; V463-K467 WeakPolarHBondContact O-CB 3.29Å; V463-K467 PolarHBondContact O-N 2.9Å
464F85.2Confident80.8Confident133 Ų13395.7 Ų95.758%0.58346%0.461SS*.Hα-helixtrans-63.6-44.2175.3-176.3-92.7000110.7L460 C461 E462 V468L460-F464 VanDerWaalsContact O-CB 3.22Å; L460-F464 WeakPolarHBondContact O-CB 3.31Å; L460-F464 PolarHBondContact O-N 3.47Å; C461-F464 PolarHBondContact O-N 3.26Å; E462-F464 VanDerWaalsContact C-N 3.33Å; E462-F464 PolarHBondContact O-N 3.12Å; F464-V468 HydrophobicContact CD1-CB 4.48Å; F464-V468 HydrophobicContact CD1-CG2 4.47Å; F464-V468 HydrophobicContact CD2-CB 4.46Å; F464-V468 HydrophobicContact CD2-CG2 3.63Å; F464-V468 HydrophobicContact CE1-CB 4.29Å; F464-V468 HydrophobicContact CE1-CG1 4.44Å; F464-V468 HydrophobicContact CE1-CG2 4.41Å; F464-V468 HydrophobicContact CE2-CB 4.29Å; F464-V468 HydrophobicContact CE2-CG1 4.49Å; F464-V468 HydrophobicContact CE2-CG2 3.57Å; F464-V468 HydrophobicContact CG-CG2 4.11Å; F464-V468 HydrophobicContact CZ-CB 4.19Å; F464-V468 HydrophobicContact CZ-CG1 4.12Å; F464-V468 HydrophobicContact CZ-CG2 3.98Å; F464-V468 WeakPolarHBondContact O-CA 3.49Å; F464-V468 WeakPolarHBondContact O-CB 3.25Å; F464-V468 WeakPolarHBondContact O-CG2 3.29Å; F464-V468 PolarHBondContact O-N 2.78Å
465R84.9Confident79.4Confident173 Ų17398.5 Ų98.565%0.65347%0.465SS*.Iπ-helixtrans-58.7-50.8176-167.2-173.8-179.2173.6-1.5110.6C461 E462 L469C461-R465 VanDerWaalsContact O-CB 3.32Å; C461-R465 WeakPolarHBondContact O-CB 3.43Å; C461-R465 PolarHBondContact O-N 2.93Å; E462-R465 WeakPolarHBondContact O-CB 3.39Å; E462-R465 PolarHBondContact O-N 2.79Å; R465-L469 HydrophobicContact CB-CD1 4.39Å; R465-L469 HydrophobicContact CG-CD1 3.64Å; R465-L469 WeakPolarHBondContact O-CB 3.42Å; R465-L469 PolarHBondContact O-N 2.96Å
466D80.1Confident78Confident76 Ų76100.8 Ų100.841%0.40648%0.475SS..Iπ-helixtrans-66.8-47.3-177.3-77.5-3.4000112.5S15 E462 V463 G470S15-D466 VanDerWaalsContact CB-OD2 3.25Å; S15-D466 WeakPolarHBondContact CB-OD2 3.33Å; S15-D466 PolarHBondContact OG-OD2 3.4Å; E462-D466 WeakPolarHBondContact O-CB 3.46Å; E462-D466 PolarHBondContact O-N 3.12Å; V463-D466 PolarHBondContact O-N 2.83Å; D466-G470 VanDerWaalsContact O-CA 3.23Å; D466-G470 WeakPolarHBondContact O-CA 3.45Å; D466-G470 PolarHBondContact O-N 2.86Å; D466-G470 VanDerWaalsContact O-N 3.14Å
467K77.6Confident76.6Confident155 Ų155102.6 Ų102.667%0.67448%0.482SS*.Iπ-helixtrans-79.1-38.6-175.9-73-170.4177.5175.50113.2V463 Y471V463-K467 HydrophobicContact CG1-CD 4.1Å; V463-K467 HydrophobicContact CG1-CG 4.41Å; V463-K467 WeakPolarHBondContact O-CB 3.29Å; V463-K467 PolarHBondContact O-N 2.9Å; K467-Y471 WeakPolarHBondContact O-CB 3.29Å; K467-Y471 PolarHBondContact O-N 3.21Å
468V74.5Confident75Confident49 Ų49102.3 Ų102.330%0.29749%0.488SS..Iπ-helixtrans-85.1-54.4-176.3-177.10000110.3F464 G470 Y471 F472F464-V468 HydrophobicContact CD1-CB 4.48Å; F464-V468 HydrophobicContact CD1-CG2 4.47Å; F464-V468 HydrophobicContact CD2-CB 4.46Å; F464-V468 HydrophobicContact CD2-CG2 3.63Å; F464-V468 HydrophobicContact CE1-CB 4.29Å; F464-V468 HydrophobicContact CE1-CG1 4.44Å; F464-V468 HydrophobicContact CE1-CG2 4.41Å; F464-V468 HydrophobicContact CE2-CB 4.29Å; F464-V468 HydrophobicContact CE2-CG1 4.49Å; F464-V468 HydrophobicContact CE2-CG2 3.57Å; F464-V468 HydrophobicContact CG-CG2 4.11Å; F464-V468 HydrophobicContact CZ-CB 4.19Å; F464-V468 HydrophobicContact CZ-CG1 4.12Å; F464-V468 HydrophobicContact CZ-CG2 3.98Å; F464-V468 WeakPolarHBondContact O-CA 3.49Å; F464-V468 WeakPolarHBondContact O-CB 3.25Å; F464-V468 WeakPolarHBondContact O-CG2 3.29Å; F464-V468 PolarHBondContact O-N 2.78Å; V468-G470 VanDerWaalsContact C-N 3.34Å; V468-G470 PolarHBondContact O-N 3.21Å; V468-Y471 PolarHBondContact O-N 3.05Å; V468-F472 HydrophobicContact CG1-CD2 3.9Å; V468-F472 HydrophobicContact CG1-CE2 3.82Å; V468-F472 WeakPolarHBondContact O-CD2 3.32Å; V468-F472 PolarHBondContact O-N 3.46Å
469L71.4Confident73.3Confident90 Ų90104.3 Ų104.347%0.47149%0.494SS..Iπ-helixtrans-68.2-36.7178.8-66.8154.2000111.1R465 F472 W473R465-L469 HydrophobicContact CB-CD1 4.39Å; R465-L469 HydrophobicContact CG-CD1 3.64Å; R465-L469 WeakPolarHBondContact O-CB 3.42Å; R465-L469 PolarHBondContact O-N 2.96Å; L469-F472 PolarHBondContact O-N 3.18Å; L469-W473 WeakPolarHBondContact O-CB 3.5Å; L469-W473 PolarHBondContact O-N 3.18Å
470G68.3Low71.5Confident25 Ų25111 Ų11126%0.25852%0.519SS..Hα-helixtrans-64.5-38174.100000113.3D466 V468 W473 N474D466-G470 VanDerWaalsContact O-CA 3.23Å; D466-G470 WeakPolarHBondContact O-CA 3.45Å; D466-G470 PolarHBondContact O-N 2.86Å; D466-G470 VanDerWaalsContact O-N 3.14Å; V468-G470 VanDerWaalsContact C-N 3.34Å; V468-G470 PolarHBondContact O-N 3.21Å; G470-W473 PolarHBondContact O-N 3.35Å; G470-N474 WeakPolarHBondContact O-CB 3.42Å; G470-N474 PolarHBondContact O-N 3.06Å
471Y68.1Low69.9Low144 Ų144112.4 Ų112.457%0.56552%0.523SS*.Hα-helixtrans-67.1-41.5174.5-171-93.8000111.7K467 V468 R475K467-Y471 WeakPolarHBondContact O-CB 3.29Å; K467-Y471 PolarHBondContact O-N 3.21Å; V468-Y471 PolarHBondContact O-N 3.05Å; Y471-R475 WeakPolarHBondContact O-CB 3.43Å; Y471-R475 PolarHBondContact O-N 3.44Å
472F71.2Confident68.2Low138 Ų138112.2 Ų112.261%0.60552%0.523SS*.Hα-helixtrans-63.6-41.8174.2-83.6-72.2000112.2V468 L469 R475 Q476V468-F472 HydrophobicContact CG1-CD2 3.9Å; V468-F472 HydrophobicContact CG1-CE2 3.82Å; V468-F472 WeakPolarHBondContact O-CD2 3.32Å; V468-F472 PolarHBondContact O-N 3.46Å; L469-F472 PolarHBondContact O-N 3.18Å; F472-R475 PolarHBondContact O-N 3.09Å; F472-Q476 PolarHBondContact O-N 2.96Å; F472-Q476 VanDerWaalsContact O-N 3.13Å
473W65.3Low66.5Low171 Ų171112 Ų11265%0.64853%0.53SS*.Hα-helixtrans-67.5-42.9178.7-124.1-42.7000112.7L469 G470 R475 Q476 H477L469-W473 WeakPolarHBondContact O-CB 3.5Å; L469-W473 PolarHBondContact O-N 3.18Å; G470-W473 PolarHBondContact O-N 3.35Å; W473-R475 VanDerWaalsContact C-N 3.34Å; W473-R475 PolarHBondContact O-N 3.28Å; W473-Q476 PolarHBondContact O-N 3.1Å; W473-H477 PolarHBondContact O-N 2.97Å
474N63.9Low65.2Low118 Ų118114.6 Ų114.663%0.63155%0.546SS*.Hα-helixtrans-68-33.3178.2-82.2-15.9000112.4G470 Q476 H477 S478G470-N474 WeakPolarHBondContact O-CB 3.42Å; G470-N474 PolarHBondContact O-N 3.06Å; N474-Q476 VanDerWaalsContact C-N 3.33Å; N474-H477 PolarHBondContact O-N 3.27Å; N474-S478 WeakPolarHBondContact O-CB 3.42Å; N474-S478 PolarHBondContact O-N 2.94Å
475R63.2Low63.5Low156 Ų156114.2 Ų114.259%0.58955%0.55SS*.Hα-helixtrans-67.5-36.5174.4-144176.1-176.2179.21.5111.6Y471 F472 W473 Q479Y471-R475 WeakPolarHBondContact O-CB 3.43Å; Y471-R475 PolarHBondContact O-N 3.44Å; F472-R475 PolarHBondContact O-N 3.09Å; W473-R475 VanDerWaalsContact C-N 3.34Å; W473-R475 PolarHBondContact O-N 3.28Å; R475-Q479 PolarHBondContact O-N 3.06Å
476Q59.6Low61.9Low119 Ų119112.7 Ų112.756%0.55655%0.554SS**Hα-helixtrans-71.2-33.7175.6-155.8176.6-2.200112.5F472 W473 N474F472-Q476 PolarHBondContact O-N 2.96Å; F472-Q476 VanDerWaalsContact O-N 3.13Å; W473-Q476 PolarHBondContact O-N 3.1Å; N474-Q476 VanDerWaalsContact C-N 3.33Å
477H57.8Low60.5Low97 Ų97114.8 Ų114.845%0.44957%0.565SS.*Hα-helixtrans-75.2-34.9175.3-106.3-76000113.8W473 N474 R480 H481W473-H477 PolarHBondContact O-N 2.97Å; N474-H477 PolarHBondContact O-N 3.27Å; H477-R480 PolarHBondContact O-N 2.91Å; H477-H481 PolarHBondContact O-N 3.18Å
478S57Low59.1Low86 Ų86115.8 Ų115.860%0.60157%0.571SS**Hα-helixtrans-67.5-35.1177.4-170.50000112.4N474 R480 H481 S482N474-S478 WeakPolarHBondContact O-CB 3.42Å; N474-S478 PolarHBondContact O-N 2.94Å; S478-R480 VanDerWaalsContact C-N 3.29Å; S478-R480 PolarHBondContact O-N 3.39Å; S478-H481 PolarHBondContact O-N 2.98Å; S478-S482 PolarHBondContact O-N 3.33Å
479Q54Low57.8Low144 Ų144122.7 Ų122.767%0.67360%0.6SS**Hα-helixtrans-65.4-30.2171.8-77.1-174.6-16.900113.1R475 S483R475-Q479 PolarHBondContact O-N 3.06Å; Q479-S483 PolarHBondContact O-OG 2.95Å; Q479-S483 VanDerWaalsContact O-OG 3.07Å
480R52.2Low56.4Low173 Ų173121 Ų12165%0.65361%0.605SS**Hα-helixtrans-73.2-33.6176-86-178.8172169.4-2.5113.3H477 S478 S483 T484H477-R480 PolarHBondContact O-N 2.91Å; S478-R480 VanDerWaalsContact C-N 3.29Å; S478-R480 PolarHBondContact O-N 3.39Å; R480-S483 PolarHBondContact O-N 2.96Å; R480-T484 PolarHBondContact O-OG1 3.31Å
481H52.9Low55.1Low126 Ų126127.6 Ų127.658%0.58363%0.634SS**Hα-helixtrans-79.2-25.3-179.9-96.7-80.6000114.7H477 S478 S483 T484H477-H481 PolarHBondContact O-N 3.18Å; S478-H481 PolarHBondContact O-N 2.98Å; H481-S483 PolarHBondContact O-N 3.4Å; H481-T484 PolarHBondContact O-OG1 3.36Å
482S52.1Low53.5Low80 Ų80123.8 Ų123.856%0.55964%0.638SS**Hα-helixtrans-70.8-20.5172-169.20000112.9S478S478-S482 PolarHBondContact O-N 3.33Å
483S53.6Low51.8Low74 Ų74122.5 Ų122.552%0.51765%0.646SS.*Hα-helixtrans-82-24.9-179.1-53.70000112.3Q479 R480 H481Q479-S483 PolarHBondContact O-OG 2.95Å; Q479-S483 VanDerWaalsContact O-OG 3.07Å; R480-S483 PolarHBondContact O-N 2.96Å; H481-S483 PolarHBondContact O-N 3.4Å
484T55.3Low50.4Low79 Ų79122 Ų12249%0.48565%0.65SS.*Hα-helixtrans-85-27.3-177.819.50000114R480 H481R480-T484 PolarHBondContact O-OG1 3.31Å; H481-T484 PolarHBondContact O-OG1 3.36Å
485N50.7Low49Very low125 Ų125126.7 Ų126.767%0.66866%0.659SS**Hα-helixtrans-81.5-19.3178.5-73.4-13.7000114.1L487N485-L487 VanDerWaalsContact C-N 3.35Å
486L51.3Low47.6Very low141 Ų141124.9 Ų124.974%0.73867%0.666SS**THydrogen-bonded Turntrans-82.8-11.4174.5-102.7145.7000113.5
487L49.5Very low46.5Very low121 Ų121128.2 Ų128.263%0.63468%0.681SS**THydrogen-bonded Turntrans-85.5-9.2180-90.8161.1000113.9N485N485-L487 VanDerWaalsContact C-N 3.35Å
488Q48.4Very low45.6Very low175 Ų175130 Ų13082%0.81870%0.699SS**SBendtrans-98.5-8.6-175.6-162.3155-9.500114.7
489E48.4Very low44.7Very low194 Ų194130.2 Ų130.291%0.90770%0.698SS**SBendtrans-111.94178.6-83.1-171134.100115
490G41.7Very low44.1Very low55 Ų55130.6 Ų130.657%0.56770%0.699SS**  trans-116.1-5.9-166.200000118.7G492G490-G492 PolarHBondContact O-N 3.04Å
491L41.5Very low43.4Very low164 Ų164129.2 Ų129.286%0.85970%0.704SS**  trans-99.967.7-174.4-91.189.3000113.1
492G34.4Very low42.8Very low63 Ų63129.1 Ų129.165%0.64972%0.718SS**  trans-111.7119.515400000109.4G490G490-G492 PolarHBondContact O-N 3.04Å
493S34.3Very low42.2Very low112 Ų112133.7 Ų133.778%0.78374%0.735SS**SBendtrans75.8121.1157.3-141.10000119.7
494H36.7Very low41.5Very low160 Ų160133.6 Ų133.674%0.74175%0.746SS**  trans72.196150-85.5-77000121.9
495R33.8Very low41Very low217 Ų217136.3 Ų136.382%0.81977%0.765SS**  50122.4114.7-134.8179.3-173.2168.81.2119
496T35.2Very low40.3Very low118 Ų118142 Ų14272%0.72478%0.777SS**  trans100.3122.1137.1100000120.8
497Q35.7Very low40.5Very low188 Ų188141 Ų14188%0.87978%0.779SS**  trans98.3103.8151.4-66.4-179.6-8.900120.1
498V38.5Very low40.3Very low135 Ų135141.3 Ų141.382%0.81879%0.788SS**  trans-101.4-176.8156.4-149.20000106.3
499P39.3Very low39.9Very low90 Ų90139.4 Ų139.458%0.58479%0.789SS**  cis-132.7-178.3-28.114.111.7000114.1
500H40.3Very low40.2Very low152 Ų152135.9 Ų135.970%0.70478%0.783SS**  trans136.3104.4134.1-77.3-74.3000112.7
501L38.1Very low40.1Very low144 Ų144139.3 Ų139.375%0.75480%0.795SS**  71.811385.9-98.3154.3000114.2
502S39.7Very low39.6Very low124 Ų124137.8 Ų137.887%0.86780%0.796SS**  -174.6138.9124.515.70000113.8
503L38.7Very low39.7Very low176 Ų176139.3 Ų139.392%0.92180%0.803SS**  trans-71.3151.2177.8-112.775.9000113.1
504G40.9Very low39.7Very low73 Ų73140.7 Ų140.775%0.75381%0.807SS**  trans-158.4149.2160.800000112.7
505P43.8Very low39.6Very low136 Ų136139.6 Ų139.688%0.88381%0.811SS**  trans-111.4173.1-142.429.2-11.9000117.1
506R36Very low39.6Very low245 Ų245138.8 Ų138.893%0.92581%0.814SS**  trans-51153.2-179.7-86.2-178.8176.4-175.7-1.5116.5
507P55.4Low39.4Very low119 Ų119140 Ų14077%0.77382%0.821SS**  trans-106.9168.4157.136.9-25.6000114.3
508P46Very low39.2Very low128 Ų128139.6 Ų139.683%0.83182%0.824SS**  trans-107.5170.6-150.340-32.8000116.4
509T39.4Very low38.8Very low135 Ų135138.8 Ų138.883%0.82882%0.824SS**PPolyproline II helixtrans-86.3144.8172.140.60000113.3
510P55.8Low38.6Very low120 Ų120138.8 Ų138.878%0.77983%0.832SS**PPolyproline II helixtrans-97.7162.6173.437-30.4000114.1
511P38.5Very low38.3Very low127 Ų127136.7 Ų136.783%0.82584%0.835SS**PPolyproline II helixtrans-103.1172.9-164.439.7-32.9000115.8
512C31.8Very low38.3Very low131 Ų131138.2 Ų138.289%0.88584%0.837SS**PPolyproline II helixtrans-53.8146-179-57.40000116.4
513A35.8Very low38.1Very low96 Ų96142 Ų14279%0.79383%0.833SS**  trans-112.6130.6166.100000111.1
514V34Very low38Very low141 Ų141138.6 Ų138.686%0.85582%0.819SS**  trans-93.1130.2173.2171.20000108.3
515T34.3Very low37.6Very low136 Ų136141 Ų14183%0.83482%0.823SS**  trans-117.5126173.6-31.20000110.5
516K34.3Very low37.3Very low200 Ų200144.3 Ų144.387%0.8782%0.819SS**  trans-63.6141.9179.9-74.7173.4171.6175.40112.8
517T30.6Very low37.1Very low144 Ų144140 Ų14088%0.88381%0.814SS**  trans-76.7137.8166.737.20000111.6
518L31.7Very low36.3Very low180 Ų180140.7 Ų140.794%0.94282%0.816SS**  trans-111.2115.3164.2-99153.1000106.8
519S31.2Very low35.8Very low117 Ų117140.1 Ų140.182%0.81881%0.81SS**  trans-98.2121.9172.3177.40000108.7
520A34.8Very low35.4Very low90 Ų90142.7 Ų142.774%0.74481%0.813SS**  trans-104.5113.6168.900000107.9
521S32.4Very low34.4Very low109 Ų109148.6 Ų148.676%0.76284%0.837SS**  trans-82.5114.9173.3172.40000109.3
522H38.8Very low34.2Very low175 Ų175149.7 Ų149.781%0.8184%0.837SS**  trans-92.8112.2164-102.6-110.4000108.1T524H522-T524 PolarHBondContact O-N 3.24Å
523R36.6Very low34.3Very low205 Ų205150.7 Ų150.777%0.77484%0.835SS**  trans-72.6115.2168.1-83.3-177.7171.3-177.6-1.1108.8D362D362-R523 IonicContact OD2-CZ 3.25Å; D362-R523 IonicContact OD2-NH1 2.9Å; D362-R523 IonicContact OD2-NH2 2.81Å; D362-R523 PolarHBondContact OD2-NH2 3.32Å
524T34.9Very low34.3Very low103 Ų103153.7 Ų153.763%0.63284%0.837SS**  trans-92.4110.7167.7-42.50000108.6H522 Y526H522-T524 PolarHBondContact O-N 3.24Å; T524-Y526 HydrophobicContact CG2-CD2 4.31Å; T524-Y526 HydrophobicContact CG2-CE2 3.79Å; T524-Y526 PolarHBondContact O-N 3.4Å
525C32.3Very low34.3Very low125 Ų125154.5 Ų154.585%0.84584%0.836SS**  trans-71.6113.7169.7-69.30000109.3
526Y37.8Very low34.3Very low204 Ų204155.6 Ų155.680%0.884%0.836SS**  trans-92.1117.2164.7-77.6-83.8000109.9T524T524-Y526 HydrophobicContact CG2-CD2 4.31Å; T524-Y526 HydrophobicContact CG2-CE2 3.79Å; T524-Y526 PolarHBondContact O-N 3.4Å
527L32.7Very low34.3Very low155 Ų155152.7 Ų152.781%0.81283%0.834SS**  trans-74.2113.1170.8-140.3132.7000107.2T529L527-T529 HydrophobicContact CD2-CG2 4.39Å; L527-T529 PolarHBondContact O-N 3.44Å
528V38Very low34.5Very low133 Ų133153.3 Ų153.381%0.80683%0.83SS**  trans-81.6100.7170178.60000107.2
529T36.2Very low34.8Very low116 Ų116151.2 Ų151.271%0.71282%0.822SS**  trans-71.7119.2161.333.90000108.7L527 L531L527-T529 HydrophobicContact CD2-CG2 4.39Å; L527-T529 PolarHBondContact O-N 3.44Å; T529-L531 PolarHBondContact O-N 2.9Å
530Q31Very low35Very low189 Ų189154.1 Ų154.188%0.88382%0.822SS**  trans-60.7127.7162.9-75.8-174.2-33.600109.3
531L35Very low35.1Very low245 Ų245159.9 Ų159.9100%1.28383%0.829SS**  trans-115.50145.4-97.1165.2000107T529T529-L531 PolarHBondContact O-N 2.9Å

Retrieved 531 of 531 residues in 154.4 ms (Link to these results)

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