ASIC3_HUMAN Loading...

Acid-sensing ion channel 3

Forms pH-gated heterotrimeric sodium channels that act as postsynaptic excitatory receptors in the nervous system1,2,3,4. Upon extracellular acidification, these channels generate a biphasic current with a fast inactivating and a slow sustained phase5,6,7. ASIC3 is more sensitive to protons and gates between closed, open, and desensitized states faster than other ASICs (By similarity). Displays high selectivity for sodium ions but can also permit the permeation of other cations8,9. As a neuronal acid sensor, probably contributes to mechanoreception, acid nociception, and heat nociception (By similarity). By forming heterotrimeric channels with ASIC2, generates a biphasic current with a fast inactivating and a slow sustained phase, which in sensory neurons is proposed to mediate the pain induced by acidosis that occurs in ischemic, damaged or inflamed tissues (By similarity).

AlphaFold DB , UniProt , Accession Q9UHC3, Species HUMAN (Homo sapiens, Human), Gene ASIC3, 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 87.1 ms (Link to these results)