A0A096MSM5_PAPAN Loading...

THAP domain-containing protein 11

AlphaFold DB , UniProt , Accession A0A096MSM5, Species PAPAN (Papio anubis, Olive baboon), Gene THAP11, Length 307 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
1M53.4Low73.6Confident226 Ų22670.1 Ų70.1100%1.11343%0.433SS*.  0140.80-68.8174.9173.500109
2P62.9Low73.9Confident126 Ų12680 Ų8082%0.81846%0.458SS*.PPolyproline II helixtrans-68.1130.9173.828.6-33.5000110.8
3G67.9Low74.4Confident30 Ų3077.2 Ų77.231%0.30944%0.441SS..PPolyproline II helixtrans-81.7140.3-179.100000113.2N14G3-N14 PolarHBondContact O-ND2 3.29Å
4F78.7Confident75Confident103 Ų10373.8 Ų73.845%0.45242%0.421SS..PPolyproline II helixtrans-63.8131.9179.3-52.2-71.7000112.2N14 S15 R59F4-N14 CarbonylContact O-C 3.59Å; F4-N14 WeakPolarHBondContact O-CA 3.36Å; F4-S15 PolarHBondContact O-N 3.28Å; F4-R59 HydrophobicContact CB-CG 4.12Å; F4-R59 HydrophobicContact CD1-CG 4.38Å; F4-R59 HydrophobicContact CG-CG 4.26Å
5T82.4Confident75.3Confident88 Ų8872.1 Ų72.154%0.5442%0.415SS..BIsolated β-bridgetrans-93.1153.9168.744.60000111.4N14T5-N14 HydrophobicContact CG2-CB 4.33Å; T5-N14 VanDerWaalsContact CG2-ND2 3.29Å; T5-N14 WeakPolarHBondContact CG2-ND2 3.46Å
6C83.1Confident75.4Confident10 Ų1076.1 Ų76.17%0.06843%0.429CS..BIsolated β-bridgetrans-68.3138167.2-166.40000110.5V8 C11 N13 R59 C61C6-V8 VanDerWaalsContact C-N 3.35Å; C6-C11 HydrophobicContact CB-CB 4.04Å; C6-C11 WeakPolarHBondContact CB-SG 3.49Å; C6-C11 VanDerWaalsContact SG-SG 3.69Å; C6-N13 PolarHBondContact N-O 3.17Å; C6-R59 WeakPolarHBondContact CA-O 3.17Å; C6-C61 HydrophobicContact CB-CB 4.26Å; C6-C61 PolarHBondContact SG-N 2.89Å
7C79.8Confident75.4Confident32 Ų3282.4 Ų82.422%0.21644%0.444CS..  trans-87.74.1175.966.10000114.9F52 H58 R59 L60C7-F52 HydrophobicContact CB-CZ 4.38Å; C7-H58 HydrophobicContact CB-CB 4.36Å; C7-R59 PolarHBondContact N-O 3.48Å; C7-R59 PolarHBondContact SG-O 2.88Å; C7-R59 VanDerWaalsContact SG-O 3.41Å; C7-L60 WeakPolarHBondContact SG-CD2 3.31Å
8V78.4Confident75.4Confident6 Ų680.3 Ų80.34%0.03643%0.433CS..SBendtrans-77.1129.4178.91800000111.1C6 G10 C11 L60 F80C6-V8 VanDerWaalsContact C-N 3.35Å; V8-G10 PolarHBondContact O-N 2.92Å; V8-C11 HydrophobicContact CB-CB 3.96Å; V8-C11 HydrophobicContact CG1-CB 4.45Å; V8-C11 WeakPolarHBondContact O-CB 3.48Å; V8-C11 PolarHBondContact O-N 2.81Å; V8-L60 HydrophobicContact CG2-CD2 3.45Å; V8-L60 VanDerWaalsContact CG2-CD2 3.45Å; V8-F80 HydrophobicContact CB-CE1 4.42Å; V8-F80 HydrophobicContact CG1-CD1 3.59Å; V8-F80 HydrophobicContact CG1-CE1 3.79Å; V8-F80 HydrophobicContact CG2-CD1 4.39Å; V8-F80 HydrophobicContact CG2-CE1 3.73Å
9P74.1Confident75.5Confident70 Ų7085.9 Ų85.946%0.45545%0.453SS..THydrogen-bonded Turntrans-53.5129.9174.4-26.635.2000112.6C11 R42P9-C11 VanDerWaalsContact C-N 3.26Å; P9-C11 PolarHBondContact O-N 2.68Å; P9-R42 HydrophobicContact CG-CG 3.76Å
10G70.5Confident75.6Confident60 Ų6085.8 Ų85.862%0.61946%0.464SS*.THydrogen-bonded Turntrans81.1-8.7-178.100000115.3V8 Y12V8-G10 PolarHBondContact O-N 2.92Å; G10-Y12 WeakPolarHBondContact O-CD2 3.27Å
11C78.4Confident75.9Confident20 Ų2083.7 Ų83.714%0.13545%0.453CS..  trans-88.4122.8171.8-173.60000110.8C6 V8 P9 N13 H64C6-C11 HydrophobicContact CB-CB 4.04Å; C6-C11 WeakPolarHBondContact CB-SG 3.49Å; C6-C11 VanDerWaalsContact SG-SG 3.69Å; V8-C11 HydrophobicContact CB-CB 3.96Å; V8-C11 HydrophobicContact CG1-CB 4.45Å; V8-C11 WeakPolarHBondContact O-CB 3.48Å; V8-C11 PolarHBondContact O-N 2.81Å; P9-C11 VanDerWaalsContact C-N 3.26Å; P9-C11 PolarHBondContact O-N 2.68Å; C11-N13 VanDerWaalsContact SG-CG 3.5Å; C11-H64 PolarHBondContact SG-NE2 2.96Å
12Y77.6Confident77.4Confident189 Ų18977 Ų7774%0.74142%0.419SS*.  trans-108.814178.4-65.7-80.5000113.4G10G10-Y12 WeakPolarHBondContact O-CD2 3.27Å
13N80.6Confident78.5Confident43 Ų4372.6 Ų72.623%0.2339%0.387CS..  trans-68135-178.4-59.4-5.2000110.3C6 C11 D18 L21 F23 C61C6-N13 PolarHBondContact N-O 3.17Å; C11-N13 VanDerWaalsContact SG-CG 3.5Å; N13-D18 VanDerWaalsContact CA-OD2 3.24Å; N13-D18 WeakPolarHBondContact CA-OD2 3.25Å; N13-L21 HydrophobicContact CB-CD1 3.98Å; N13-L21 WeakPolarHBondContact ND2-CD1 3.34Å; N13-F23 HydrophobicContact CB-CZ 4.31Å; N13-C61 HydrophobicContact CB-CB 4.29Å; N13-C61 PolarHBondContact ND2-SG 2.74Å
14N82.1Confident79.3Confident30 Ų3073.8 Ų73.816%0.1638%0.382CS..BIsolated β-bridgetrans-135.7132-175.8-176.2-59.7000111G3 F4 T5 H16 R17 D18 F23G3-N14 PolarHBondContact O-ND2 3.29Å; F4-N14 CarbonylContact O-C 3.59Å; F4-N14 WeakPolarHBondContact O-CA 3.36Å; T5-N14 HydrophobicContact CG2-CB 4.33Å; T5-N14 VanDerWaalsContact CG2-ND2 3.29Å; T5-N14 WeakPolarHBondContact CG2-ND2 3.46Å; N14-H16 PolarHBondContact O-N 2.94Å; N14-H16 WeakPolarHBondContact OD1-CB 3.03Å; N14-H16 PolarHBondContact OD1-N 2.72Å; N14-R17 HydrophobicContact CB-CG 4.38Å; N14-R17 PolarHBondContact O-N 3.29Å; N14-D18 PolarHBondContact N-OD2 3.42Å; N14-D18 PolarHBondContact O-N 3.12Å; N14-F23 VanDerWaalsContact C-CZ 3.48Å
15S79.2Confident79.7Confident48 Ų4873 Ų7334%0.33639%0.386SS..THydrogen-bonded Turntrans-57.8-17.4-177.3-173.20000115.3F4 F23F4-S15 PolarHBondContact O-N 3.28Å; S15-F23 VanDerWaalsContact CA-CE2 3.45Å; S15-F23 VanDerWaalsContact N-CZ 3.27Å
16H76.8Confident79.7Confident137 Ų13769.8 Ų69.863%0.63437%0.365SS*.THydrogen-bonded Turntrans-86.3-29.7174-171-91.3000113.2N14N14-H16 PolarHBondContact O-N 2.94Å; N14-H16 WeakPolarHBondContact OD1-CB 3.03Å; N14-H16 PolarHBondContact OD1-N 2.72Å
17R76.2Confident79.7Confident182 Ų18270.2 Ų70.269%0.68737%0.367SS*.THydrogen-bonded Turntrans-89.3-48.6179.6-62.3178.269.6-142.20.4110.8N14 K19N14-R17 HydrophobicContact CB-CG 4.38Å; N14-R17 PolarHBondContact O-N 3.29Å; R17-K19 PolarHBondContact O-N 2.68Å
18D75.1Confident79.8Confident45 Ų4578.9 Ų78.924%0.24140%0.401CS..  trans-10462-164.7-48.4-58.8000110.5N13 N14 A20 L21N13-D18 VanDerWaalsContact CA-OD2 3.24Å; N13-D18 WeakPolarHBondContact CA-OD2 3.25Å; N14-D18 PolarHBondContact N-OD2 3.42Å; N14-D18 PolarHBondContact O-N 3.12Å; D18-A20 PolarHBondContact O-N 3.1Å; D18-L21 HydrophobicContact CB-CB 4.39Å; D18-L21 HydrophobicContact CB-CD1 3.85Å; D18-L21 HydrophobicContact CB-CG 4.08Å; D18-L21 PolarHBondContact O-N 2.88Å
19K76.6Confident80.1Confident187 Ų18782.9 Ų82.981%0.81342%0.422SS*.THydrogen-bonded Turntrans-57.5-18.7-173.3-64-174.4179.7-178.30114.9R17R17-K19 PolarHBondContact O-N 2.68Å
20A78.7Confident80.5Confident83 Ų8383 Ų8369%0.68643%0.429SS*.THydrogen-bonded Turntrans-80.4-11.3175.400000114.3D18D18-A20 PolarHBondContact O-N 3.1Å
21L82.1Confident81.1Confident42 Ų4285.1 Ų85.122%0.2242%0.423CS..SBendtrans-98.9135.1-178.9-60.9-175.4000111.5N13 D18 F23 V63N13-L21 HydrophobicContact CB-CD1 3.98Å; N13-L21 WeakPolarHBondContact ND2-CD1 3.34Å; D18-L21 HydrophobicContact CB-CB 4.39Å; D18-L21 HydrophobicContact CB-CD1 3.85Å; D18-L21 HydrophobicContact CB-CG 4.08Å; D18-L21 PolarHBondContact O-N 2.88Å; L21-F23 HydrophobicContact CB-CE2 3.99Å; L21-F23 WeakPolarHBondContact O-CD2 3.49Å; L21-F23 WeakPolarHBondContact O-CE2 3.44Å; L21-V63 HydrophobicContact CD1-CG1 4.42Å; L21-V63 HydrophobicContact CD2-CG1 3.83Å
22H84.3Confident81.3Confident87 Ų8785.7 Ų85.740%0.40343%0.425SS..  trans-88.1139.3173.3-62.9-79.3000110.8Y24 C61 S62 R69H22-Y24 HydrophobicContact CB-CE1 4.49Å; H22-Y24 HydrophobicContact CB-CE2 4.28Å; H22-C61 CarbonylContact O-C 3.6Å; H22-C61 WeakPolarHBondContact O-CA 3.32Å; H22-S62 WeakPolarHBondContact O-CB 3.44Å; H22-S62 PolarHBondContact O-N 3.42Å; H22-R69 PolarHBondContact CD2-NH1 3.17Å; H22-R69 PolarHBondContact NE2-NH1 3.04Å; H22-R69 PolarHBondContact NE2-NH2 3.43Å
23F85.1Confident81.5Confident32 Ų3280.9 Ų80.914%0.1441%0.405CS..EExtended strand (participates in β ladder)trans-110.7101.1-178.9-73.8-101.1000109.8N13 N14 S15 L21 R59 L60 C61N13-F23 HydrophobicContact CB-CZ 4.31Å; N14-F23 VanDerWaalsContact C-CZ 3.48Å; S15-F23 VanDerWaalsContact CA-CE2 3.45Å; S15-F23 VanDerWaalsContact N-CZ 3.27Å; L21-F23 HydrophobicContact CB-CE2 3.99Å; L21-F23 WeakPolarHBondContact O-CD2 3.49Å; L21-F23 WeakPolarHBondContact O-CE2 3.44Å; F23-R59 HydrophobicContact CB-CB 4.2Å; F23-R59 HydrophobicContact CB-CG 4.49Å; F23-R59 HydrophobicContact CD1-CB 4.26Å; F23-L60 CarbonylContact C-O 3.57Å; F23-C61 HydrophobicContact CD1-CB 4.01Å; F23-C61 HydrophobicContact CE1-CB 3.66Å; F23-C61 HydrophobicContact CE2-CB 4.39Å; F23-C61 HydrophobicContact CZ-CB 3.85Å
24Y85.7Confident81.4Confident55 Ų5586.4 Ų86.422%0.21642%0.423CS..EExtended strand (participates in β ladder)trans-82.5142.2-176.6-60.3-72.7000111.9H22 R59 L60 F65 K70H22-Y24 HydrophobicContact CB-CE1 4.49Å; H22-Y24 HydrophobicContact CB-CE2 4.28Å; Y24-R59 WeakPolarHBondContact O-CA 3.32Å; Y24-R59 WeakPolarHBondContact O-CD 3.33Å; Y24-L60 PolarHBondContact N-O 2.74Å; Y24-L60 PolarHBondContact O-N 3.39Å; Y24-F65 HydrophobicContact CD2-CD2 4.14Å; Y24-F65 AromaticContact CD2-CE2 3.62Å; Y24-F65 HydrophobicContact CD2-CE2 3.62Å; Y24-F65 HydrophobicContact CD2-CZ 4.17Å; Y24-F65 HydrophobicContact CE2-CD2 4.22Å; Y24-F65 HydrophobicContact CE2-CE2 4.16Å; Y24-K70 HydrophobicContact CD1-CD 4.45Å; Y24-K70 HydrophobicContact CD2-CB 4.32Å; Y24-K70 HydrophobicContact CE1-CB 3.98Å; Y24-K70 HydrophobicContact CE2-CB 3.74Å; Y24-K70 PolarHBondContact OH-N 3.48Å
25T86.1Confident81.3Confident86 Ų8688.2 Ų88.253%0.52843%0.432SS..PPolyproline II helixtrans-71.9156.5165.843.60000111.1W36T25-W36 WeakPolarHBondContact O-CH2 3.41Å; T25-W36 WeakPolarHBondContact O-CZ3 3.35Å
26F84.2Confident81.4Confident22 Ų2286 Ų8610%0.09642%0.416CS..PPolyproline II helixtrans-64.5142.7166.3-77.2-95.7000110.4W36 L37 P54 H58 L60F26-W36 HydrophobicContact CD1-CB 4.25Å; F26-W36 AromaticContact CD1-CE3 3.99Å; F26-W36 HydrophobicContact CD1-CE3 3.99Å; F26-W36 HydrophobicContact CE1-CB 4.23Å; F26-W36 HydrophobicContact CE1-CE3 4.32Å; F26-W36 HydrophobicContact CG-CE3 4.42Å; F26-L37 HydrophobicContact CE1-CD2 4.26Å; F26-L37 HydrophobicContact CE1-CG 4.27Å; F26-P54 HydrophobicContact CD1-CB 4.41Å; F26-P54 HydrophobicContact CD1-CG 4.3Å; F26-P54 HydrophobicContact CD2-CB 3.98Å; F26-P54 HydrophobicContact CE1-CB 4.28Å; F26-P54 HydrophobicContact CE1-CG 4.37Å; F26-P54 HydrophobicContact CE2-CB 3.85Å; F26-P54 HydrophobicContact CG-CB 4.27Å; F26-P54 HydrophobicContact CG-CG 4.44Å; F26-P54 HydrophobicContact CZ-CB 4.01Å; F26-H58 HydrophobicContact CD2-CB 4.35Å; F26-H58 HydrophobicContact CE2-CB 3.82Å; F26-L60 HydrophobicContact CZ-CG 4.38Å
27P83.3Confident81.5Confident18 Ų1881.2 Ų81.212%0.11740%0.395CS..PPolyproline II helixtrans-56.4154.4173.9-26.434.9000113.6D29 L32 W36P27-D29 HydrophobicContact CB-CB 4.4Å; P27-L32 HydrophobicContact CB-CB 4.27Å; P27-L32 HydrophobicContact CB-CD2 4.06Å; P27-L32 HydrophobicContact CB-CG 4.31Å; P27-L32 HydrophobicContact CG-CB 4.29Å; P27-L32 HydrophobicContact CG-CD2 3.7Å; P27-L32 HydrophobicContact CG-CG 3.84Å; P27-W36 VanDerWaalsContact CD-CE3 3.49Å; P27-W36 HydrophobicContact CG-CD2 3.94Å; P27-W36 HydrophobicContact CG-CE3 4.33Å; P27-W36 HydrophobicContact CG-CG 4.41Å; P27-W36 HydrophobicContact CG-CH2 4.29Å; P27-W36 HydrophobicContact CG-CZ2 3.89Å; P27-W36 HydrophobicContact CG-CZ3 4.5Å
28K82Confident81.5Confident215 Ų21579.7 Ų79.794%0.93539%0.394SS*.SBendtrans-75.5-36.9167.9-66-173.2177.7-1750111.9A30K28-A30 PolarHBondContact O-N 3.2Å
29D84.7Confident81.5Confident89 Ų8980.2 Ų80.248%0.47640%0.396SS..SBendtrans-52.6122.4172.1170-6.2000110.8P27 E31 L32 R33P27-D29 HydrophobicContact CB-CB 4.4Å; D29-E31 PolarHBondContact OD1-N 3.36Å; D29-L32 HydrophobicContact CB-CB 4.1Å; D29-L32 PolarHBondContact OD1-N 2.93Å; D29-L32 VanDerWaalsContact OD1-N 3.1Å; D29-L32 VanDerWaalsContact OD2-CB 3.27Å; D29-L32 WeakPolarHBondContact OD2-CB 3.21Å; D29-R33 WeakPolarHBondContact O-CB 3.19Å; D29-R33 PolarHBondContact O-N 3.01Å
30A82.4Confident81.4Confident72 Ų7271.6 Ų71.660%0.59536%0.359SS*.Hα-helixtrans-65.7-38.9-176.400000112.9K28 R34K28-A30 PolarHBondContact O-N 3.2Å; A30-R34 VanDerWaalsContact O-CB 3.25Å; A30-R34 WeakPolarHBondContact O-CB 3.47Å; A30-R34 PolarHBondContact O-N 3.36Å
31E83.2Confident80.6Confident106 Ų10670 Ų7050%0.49534%0.344SS..Hα-helixtrans-74.8-45.5-178.6-83.8-59.1111.300111.4D29 R33 R34 L35D29-E31 PolarHBondContact OD1-N 3.36Å; E31-R33 VanDerWaalsContact C-N 3.28Å; E31-R33 PolarHBondContact O-N 3.28Å; E31-R34 WeakPolarHBondContact O-CB 3.46Å; E31-R34 PolarHBondContact O-N 3.25Å; E31-R34 VanDerWaalsContact O-N 3.16Å; E31-R34 IonicContact OE1-CZ 2.81Å; E31-R34 IonicContact OE1-NE 2.71Å; E31-R34 PolarHBondContact OE1-NE 2.7Å; E31-R34 IonicContact OE1-NH2 3.08Å; E31-R34 PolarHBondContact OE1-NH2 2.99Å; E31-R34 IonicContact OE2-CZ 3.43Å; E31-R34 IonicContact OE2-NE 2.74Å; E31-R34 PolarHBondContact OE2-NE 2.99Å; E31-R34 IonicContact OE2-NH2 3.42Å; E31-R34 PolarHBondContact OE2-NH2 3.02Å; E31-L35 WeakPolarHBondContact O-CB 3.43Å; E31-L35 PolarHBondContact O-N 3.2Å
32L81.8Confident79.7Confident32 Ų3272.5 Ų72.517%0.16835%0.35CS..Hα-helixtrans-65-35.2174.9-168.666.1000111.2P27 D29 L35 W36 R75 V76P27-L32 HydrophobicContact CB-CB 4.27Å; P27-L32 HydrophobicContact CB-CD2 4.06Å; P27-L32 HydrophobicContact CB-CG 4.31Å; P27-L32 HydrophobicContact CG-CB 4.29Å; P27-L32 HydrophobicContact CG-CD2 3.7Å; P27-L32 HydrophobicContact CG-CG 3.84Å; D29-L32 HydrophobicContact CB-CB 4.1Å; D29-L32 PolarHBondContact OD1-N 2.93Å; D29-L32 VanDerWaalsContact OD1-N 3.1Å; D29-L32 VanDerWaalsContact OD2-CB 3.27Å; D29-L32 WeakPolarHBondContact OD2-CB 3.21Å; L32-L35 PolarHBondContact O-N 3.38Å; L32-W36 WeakPolarHBondContact O-CB 3.42Å; L32-W36 PolarHBondContact O-N 2.94Å; L32-R75 HydrophobicContact CD1-CB 4.28Å; L32-R75 HydrophobicContact CD2-CB 4.44Å; L32-V76 HydrophobicContact CD1-CG2 3.64Å
33R81.6Confident77.8Confident88 Ų8871.6 Ų71.633%0.33236%0.357SS..Hα-helixtrans-65.5-40.9171.6178.6-179.7174.8120.5-1.7112.1D29 E31 W36 L37 P54D29-R33 WeakPolarHBondContact O-CB 3.19Å; D29-R33 PolarHBondContact O-N 3.01Å; E31-R33 VanDerWaalsContact C-N 3.28Å; E31-R33 PolarHBondContact O-N 3.28Å; R33-W36 PolarHBondContact O-N 2.82Å; R33-L37 HydrophobicContact CG-CD1 4.24Å; R33-L37 WeakPolarHBondContact O-CB 3.44Å; R33-L37 WeakPolarHBondContact O-CG 3.41Å; R33-L37 PolarHBondContact O-N 3.16Å; R33-P54 PolarHBondContact NH2-O 3.2Å; R33-P54 VanDerWaalsContact NH2-O 3.16Å
34R79.1Confident75.9Confident158 Ų15873.6 Ų73.660%0.59639%0.388SS*.Hα-helixtrans-62.8-42.1175-173.2176.373106-0.7111.3A30 E31 L37 K38A30-R34 VanDerWaalsContact O-CB 3.25Å; A30-R34 WeakPolarHBondContact O-CB 3.47Å; A30-R34 PolarHBondContact O-N 3.36Å; E31-R34 WeakPolarHBondContact O-CB 3.46Å; E31-R34 PolarHBondContact O-N 3.25Å; E31-R34 VanDerWaalsContact O-N 3.16Å; E31-R34 IonicContact OE1-CZ 2.81Å; E31-R34 IonicContact OE1-NE 2.71Å; E31-R34 PolarHBondContact OE1-NE 2.7Å; E31-R34 IonicContact OE1-NH2 3.08Å; E31-R34 PolarHBondContact OE1-NH2 2.99Å; E31-R34 IonicContact OE2-CZ 3.43Å; E31-R34 IonicContact OE2-NE 2.74Å; E31-R34 PolarHBondContact OE2-NE 2.99Å; E31-R34 IonicContact OE2-NH2 3.42Å; E31-R34 PolarHBondContact OE2-NH2 3.02Å; R34-L37 PolarHBondContact O-N 3.39Å; R34-K38 WeakPolarHBondContact O-CB 3.26Å; R34-K38 PolarHBondContact O-N 2.68Å
35L80.3Confident74Confident69 Ų6974.3 Ų74.336%0.36140%0.398SS..Hα-helixtrans-70.5-42.1176.9-176.656.4000112.7E31 L32 L37 K38 N39 V76E31-L35 WeakPolarHBondContact O-CB 3.43Å; E31-L35 PolarHBondContact O-N 3.2Å; L32-L35 PolarHBondContact O-N 3.38Å; L35-L37 VanDerWaalsContact C-N 3.29Å; L35-L37 PolarHBondContact O-N 2.87Å; L35-K38 PolarHBondContact O-N 3.16Å; L35-N39 PolarHBondContact O-N 2.67Å; L35-N39 VanDerWaalsContact O-N 3.07Å; L35-N39 PolarHBondContact O-OD1 3.2Å; L35-V76 HydrophobicContact CD2-CG1 4.09Å; L35-V76 HydrophobicContact CD2-CG2 3.66Å; L35-V76 HydrophobicContact CG-CG1 3.96Å; L35-V76 HydrophobicContact CG-CG2 4.3Å
36W81.3Confident71.6Confident0 Ų076 Ų760%041%0.413CS..Hα-helixtrans-57.6-45170.3-80.438000110.7T25 F26 P27 L32 R33 N39 V40 L60 F65 K70 R75 P77T25-W36 WeakPolarHBondContact O-CH2 3.41Å; T25-W36 WeakPolarHBondContact O-CZ3 3.35Å; F26-W36 HydrophobicContact CD1-CB 4.25Å; F26-W36 AromaticContact CD1-CE3 3.99Å; F26-W36 HydrophobicContact CD1-CE3 3.99Å; F26-W36 HydrophobicContact CE1-CB 4.23Å; F26-W36 HydrophobicContact CE1-CE3 4.32Å; F26-W36 HydrophobicContact CG-CE3 4.42Å; P27-W36 VanDerWaalsContact CD-CE3 3.49Å; P27-W36 HydrophobicContact CG-CD2 3.94Å; P27-W36 HydrophobicContact CG-CE3 4.33Å; P27-W36 HydrophobicContact CG-CG 4.41Å; P27-W36 HydrophobicContact CG-CH2 4.29Å; P27-W36 HydrophobicContact CG-CZ2 3.89Å; P27-W36 HydrophobicContact CG-CZ3 4.5Å; L32-W36 WeakPolarHBondContact O-CB 3.42Å; L32-W36 PolarHBondContact O-N 2.94Å; R33-W36 PolarHBondContact O-N 2.82Å; W36-N39 PolarHBondContact O-N 2.9Å; W36-V40 WeakPolarHBondContact O-CB 3.35Å; W36-V40 WeakPolarHBondContact O-CG2 3.16Å; W36-V40 PolarHBondContact O-N 3.3Å; W36-L60 HydrophobicContact CD2-CD1 4.24Å; W36-L60 HydrophobicContact CE3-CD1 3.43Å; W36-L60 VanDerWaalsContact CE3-CD1 3.43Å; W36-L60 HydrophobicContact CE3-CG 4.42Å; W36-L60 HydrophobicContact CZ3-CD1 3.74Å; W36-L60 HydrophobicContact CZ3-CG 4.42Å; W36-F65 HydrophobicContact CH2-CE1 4.02Å; W36-F65 AromaticContact CH2-CZ 3.54Å; W36-F65 HydrophobicContact CH2-CZ 3.54Å; W36-F65 AromaticContact CZ2-CE1 3.65Å; W36-F65 HydrophobicContact CZ2-CE1 3.65Å; W36-F65 AromaticContact CZ2-CZ 3.68Å; W36-F65 HydrophobicContact CZ2-CZ 3.68Å; W36-F65 HydrophobicContact CZ3-CZ 4.11Å; W36-K70 HydrophobicContact CZ2-CD 4.47Å; W36-R75 WeakPolarHBondContact CZ2-O 3.25Å; W36-R75 PolarHBondContact NE1-O 3.34Å; W36-P77 HydrophobicContact CD2-CG 4.12Å; W36-P77 HydrophobicContact CG-CG 4.19Å
37L78.2Confident70Confident38 Ų3877.4 Ų77.420%0.19943%0.433CS..Hα-helixtrans-63.7-44.6176.7-82.9166.1000112.4F26 R33 R34 L35 N39 V40 S41 F52 P54F26-L37 HydrophobicContact CE1-CD2 4.26Å; F26-L37 HydrophobicContact CE1-CG 4.27Å; R33-L37 HydrophobicContact CG-CD1 4.24Å; R33-L37 WeakPolarHBondContact O-CB 3.44Å; R33-L37 WeakPolarHBondContact O-CG 3.41Å; R33-L37 PolarHBondContact O-N 3.16Å; R34-L37 PolarHBondContact O-N 3.39Å; L35-L37 VanDerWaalsContact C-N 3.29Å; L35-L37 PolarHBondContact O-N 2.87Å; L37-N39 VanDerWaalsContact C-N 3.29Å; L37-N39 PolarHBondContact O-N 3.33Å; L37-V40 CarbonylContact O-C 3.5Å; L37-V40 PolarHBondContact O-N 3.46Å; L37-S41 VanDerWaalsContact O-CA 3.31Å; L37-S41 WeakPolarHBondContact O-CA 3.45Å; L37-S41 WeakPolarHBondContact O-CB 3.35Å; L37-S41 PolarHBondContact O-N 3.14Å; L37-F52 HydrophobicContact CD2-CD1 3.65Å; L37-F52 HydrophobicContact CD2-CE1 3.82Å; L37-P54 HydrophobicContact CD1-CG 3.83Å; L37-P54 HydrophobicContact CD2-CB 4.36Å; L37-P54 HydrophobicContact CD2-CG 3.74Å; L37-P54 HydrophobicContact CG-CG 4.09Å
38K75.8Confident67.9Low150 Ų15083.6 Ų83.665%0.65248%0.475SS*.Hα-helixtrans-53.5-46.6176-173.6179.1-179.1-179.90111.2R34 L35 S41R34-K38 WeakPolarHBondContact O-CB 3.26Å; R34-K38 PolarHBondContact O-N 2.68Å; L35-K38 PolarHBondContact O-N 3.16Å; K38-S41 WeakPolarHBondContact O-CB 3.31Å; K38-S41 PolarHBondContact O-N 2.7Å; K38-S41 PolarHBondContact O-OG 2.81Å
39N75.3Confident66.4Low55 Ų5578.9 Ų78.929%0.29446%0.455SS..Hα-helixtrans-76.8-34.8-177-61.34.1000113L35 W36 L37 S41 V76 P77 F80L35-N39 PolarHBondContact O-N 2.67Å; L35-N39 VanDerWaalsContact O-N 3.07Å; L35-N39 PolarHBondContact O-OD1 3.2Å; W36-N39 PolarHBondContact O-N 2.9Å; L37-N39 VanDerWaalsContact C-N 3.29Å; L37-N39 PolarHBondContact O-N 3.33Å; N39-S41 PolarHBondContact O-N 2.88Å; N39-V76 VanDerWaalsContact ND2-CG1 3.31Å; N39-V76 WeakPolarHBondContact ND2-CG1 3.35Å; N39-P77 PolarHBondContact ND2-O 3.33Å; N39-F80 HydrophobicContact CB-CD2 4.19Å; N39-F80 HydrophobicContact CB-CE2 3.52Å; N39-F80 HydrophobicContact CB-CZ 4.09Å
40V73.9Confident64.7Low6 Ų679.1 Ų79.14%0.03646%0.464CS..Hα-helixtrans-72.5-17.1171.6175.20000112W36 L37 F52 L60 F80W36-V40 WeakPolarHBondContact O-CB 3.35Å; W36-V40 WeakPolarHBondContact O-CG2 3.16Å; W36-V40 PolarHBondContact O-N 3.3Å; L37-V40 CarbonylContact O-C 3.5Å; L37-V40 PolarHBondContact O-N 3.46Å; V40-F52 HydrophobicContact CG1-CE1 4.36Å; V40-L60 HydrophobicContact CG2-CD1 3.87Å; V40-L60 HydrophobicContact CG2-CD2 3.78Å; V40-L60 HydrophobicContact CG2-CG 4.49Å; V40-F80 HydrophobicContact CB-CE1 4.22Å; V40-F80 HydrophobicContact CB-CZ 4.33Å; V40-F80 HydrophobicContact CG2-CE1 3.73Å; V40-F80 HydrophobicContact CG2-CZ 3.57Å
41S62.9Low63.4Low51 Ų5181.9 Ų81.936%0.35747%0.474SS..  trans-62.3139.9-162.271.10000113.8L37 K38 N39 A43L37-S41 VanDerWaalsContact O-CA 3.31Å; L37-S41 WeakPolarHBondContact O-CA 3.45Å; L37-S41 WeakPolarHBondContact O-CB 3.35Å; L37-S41 PolarHBondContact O-N 3.14Å; K38-S41 WeakPolarHBondContact O-CB 3.31Å; K38-S41 PolarHBondContact O-N 2.7Å; K38-S41 PolarHBondContact O-OG 2.81Å; N39-S41 PolarHBondContact O-N 2.88Å; S41-A43 PolarHBondContact O-N 3.35Å; S41-A43 WeakPolarHBondContact OG-CB 3.34Å
42R61.9Low62.3Low93 Ų9379.1 Ų79.135%0.35146%0.46SS..  trans-81.425.7168.4-68.6164.451.2176.3-8.4111.7P9 G44 V45 R83P9-R42 HydrophobicContact CG-CG 3.76Å; R42-G44 CarbonylContact O-C 3.26Å; R42-G44 PolarHBondContact O-N 2.92Å; R42-V45 HydrophobicContact CB-CG2 4.24Å; R42-V45 PolarHBondContact O-N 3.4Å; R42-R83 PolarHBondContact O-NH2 3.18Å; R42-R83 VanDerWaalsContact O-NH2 3.08Å
43A44.8Very low61.3Low68 Ų6885.3 Ų85.356%0.56249%0.488SS*.THydrogen-bonded Turntrans-53.7113.2-172.100000111.2S41 R83S41-A43 PolarHBondContact O-N 3.35Å; S41-A43 WeakPolarHBondContact OG-CB 3.34Å; A43-R83 VanDerWaalsContact C-NH2 3.33Å; A43-R83 VanDerWaalsContact O-CZ 3.24Å; A43-R83 PolarHBondContact O-NH1 2.94Å; A43-R83 PolarHBondContact O-NH2 2.82Å
44G46.2Very low60.4Low75 Ų7581.4 Ų81.477%0.77347%0.474SS*.THydrogen-bonded Turntrans100.323.6-167.900000115.8R42 R83R42-G44 CarbonylContact O-C 3.26Å; R42-G44 PolarHBondContact O-N 2.92Å; G44-R83 VanDerWaalsContact C-NH2 3.32Å; G44-R83 PolarHBondContact O-NH2 3.03Å
45V44.8Very low59.7Low70 Ų7078.2 Ų78.242%0.42447%0.472SS..  trans-107.491.8157.1-178.60000107.5R42R42-V45 HydrophobicContact CB-CG2 4.24Å; R42-V45 PolarHBondContact O-N 3.4Å
46S36.7Very low59Low121 Ų12181 Ų8185%0.84649%0.493SS*.  trans-68.7132.3178.539.10000111.4
47G49.3Very low58.3Low51 Ų5183.3 Ų83.353%0.52652%0.516SS..SBendtrans144-174.4-177.800000112F49 S50G47-F49 PolarHBondContact O-N 2.92Å; G47-S50 PolarHBondContact O-N 3.33Å; G47-S50 VanDerWaalsContact O-N 3.12Å
48C40.7Very low58.3Low149 Ų14984 Ų84100%1.00752%0.518SS*.THydrogen-bonded Turntrans-60.6-5.9-175.5-163.10000115
49F48.7Very low58.8Low115 Ų11578.8 Ų78.850%0.50450%0.495SS..THydrogen-bonded Turntrans-100.626.3176-139.5-80.7000112.8G47 F52G47-F49 PolarHBondContact O-N 2.92Å; F49-F52 HydrophobicContact CE1-CD2 4.07Å
50S49.5Very low59.2Low95 Ų9576.2 Ų76.266%0.66448%0.481SS*.  trans-62.8-46.7-170.2-165.60000113.3G47G47-S50 PolarHBondContact O-N 3.33Å; G47-S50 VanDerWaalsContact O-N 3.12Å
51T54.8Low59.7Low130 Ų13075.9 Ų75.980%0.79848%0.479SS*.SBendtrans-104.586.6-176.240.30000111.5Q53T51-Q53 PolarHBondContact O-N 2.83Å
52F60.9Low60.8Low47 Ų4773.6 Ų73.621%0.20646%0.463CS..  trans-68.697.8173.7174.9-108.8000111.5C7 L37 V40 F49 P54 H58C7-F52 HydrophobicContact CB-CZ 4.38Å; L37-F52 HydrophobicContact CD2-CD1 3.65Å; L37-F52 HydrophobicContact CD2-CE1 3.82Å; V40-F52 HydrophobicContact CG1-CE1 4.36Å; F49-F52 HydrophobicContact CE1-CD2 4.07Å; F52-P54 HydrophobicContact CE1-CB 4.18Å; F52-P54 HydrophobicContact CZ-CB 4.27Å; F52-H58 AromaticContact CE2-CD2 3.69Å; F52-H58 AromaticContact CE2-NE2 3.54Å; F52-H58 AromaticContact CZ-CD2 3.61Å; F52-H58 AromaticContact CZ-NE2 3.95Å
53Q60.8Low61.7Low162 Ų16272 Ų7276%0.75746%0.463SS*.  trans-95.7116.5175.6-158.4174.523.700109.9T51 T55T51-Q53 PolarHBondContact O-N 2.83Å; Q53-T55 PolarHBondContact O-N 3.21Å
54P62.5Low63.4Low7 Ų769 Ų695%0.04544%0.437CS..  trans-78.9102.1-172.831.6-34.7000110.7F26 R33 L37 F52 H58F26-P54 HydrophobicContact CD1-CB 4.41Å; F26-P54 HydrophobicContact CD1-CG 4.3Å; F26-P54 HydrophobicContact CD2-CB 3.98Å; F26-P54 HydrophobicContact CE1-CB 4.28Å; F26-P54 HydrophobicContact CE1-CG 4.37Å; F26-P54 HydrophobicContact CE2-CB 3.85Å; F26-P54 HydrophobicContact CG-CB 4.27Å; F26-P54 HydrophobicContact CG-CG 4.44Å; F26-P54 HydrophobicContact CZ-CB 4.01Å; R33-P54 PolarHBondContact NH2-O 3.2Å; R33-P54 VanDerWaalsContact NH2-O 3.16Å; L37-P54 HydrophobicContact CD1-CG 3.83Å; L37-P54 HydrophobicContact CD2-CB 4.36Å; L37-P54 HydrophobicContact CD2-CG 3.74Å; L37-P54 HydrophobicContact CG-CG 4.09Å; F52-P54 HydrophobicContact CE1-CB 4.18Å; F52-P54 HydrophobicContact CZ-CB 4.27Å; P54-H58 HydrophobicContact CB-CB 4.38Å
55T65.1Low65Low91 Ų9165.4 Ų65.456%0.55840%0.401SS*.  trans-68.2163.8168.872.70000111.5Q53 G57 H58Q53-T55 PolarHBondContact O-N 3.21Å; T55-G57 PolarHBondContact O-N 2.84Å; T55-H58 PolarHBondContact N-ND1 3.07Å; T55-H58 VanDerWaalsContact N-ND1 3.15Å; T55-H58 PolarHBondContact O-N 3.37Å; T55-H58 PolarHBondContact O-ND1 3.07Å; T55-H58 PolarHBondContact OG1-CE1 3.43Å; T55-H58 PolarHBondContact OG1-ND1 3.3Å; T55-H58 VanDerWaalsContact OG1-ND1 3.08Å
56T64.1Low66Low128 Ų12867.5 Ų67.579%0.78541%0.406SS*.THydrogen-bonded Turntrans-55.4-15.5-174.8-450000115.3R59T56-R59 VanDerWaalsContact O-CZ 3.31Å; T56-R59 PolarHBondContact O-NH1 3.49Å; T56-R59 PolarHBondContact O-NH2 2.84Å
57G68.4Low67.2Low48 Ų4865.4 Ų65.450%0.49540%0.403SS..THydrogen-bonded Turntrans-79.3-21.5174.400000115.6T55T55-G57 PolarHBondContact O-N 2.84Å
58H77.7Confident67.9Low52 Ų5264.1 Ų64.124%0.24139%0.39CS..  trans-76.1135.6-170.8-63.788.9000113C7 F26 F52 P54 T55C7-H58 HydrophobicContact CB-CB 4.36Å; F26-H58 HydrophobicContact CD2-CB 4.35Å; F26-H58 HydrophobicContact CE2-CB 3.82Å; F52-H58 AromaticContact CE2-CD2 3.69Å; F52-H58 AromaticContact CE2-NE2 3.54Å; F52-H58 AromaticContact CZ-CD2 3.61Å; F52-H58 AromaticContact CZ-NE2 3.95Å; P54-H58 HydrophobicContact CB-CB 4.38Å; T55-H58 PolarHBondContact N-ND1 3.07Å; T55-H58 VanDerWaalsContact N-ND1 3.15Å; T55-H58 PolarHBondContact O-N 3.37Å; T55-H58 PolarHBondContact O-ND1 3.07Å; T55-H58 PolarHBondContact OG1-CE1 3.43Å; T55-H58 PolarHBondContact OG1-ND1 3.3Å; T55-H58 VanDerWaalsContact OG1-ND1 3.08Å
59R84.9Confident69.1Low41 Ų4163.3 Ų63.316%0.15537%0.366CS..BIsolated β-bridgetrans-134.6152.1-178.8-61.1-67.2174.9-86.8-6.6111.6F4 C6 C7 F23 Y24 T56F4-R59 HydrophobicContact CB-CG 4.12Å; F4-R59 HydrophobicContact CD1-CG 4.38Å; F4-R59 HydrophobicContact CG-CG 4.26Å; C6-R59 WeakPolarHBondContact CA-O 3.17Å; C7-R59 PolarHBondContact N-O 3.48Å; C7-R59 PolarHBondContact SG-O 2.88Å; C7-R59 VanDerWaalsContact SG-O 3.41Å; F23-R59 HydrophobicContact CB-CB 4.2Å; F23-R59 HydrophobicContact CB-CG 4.49Å; F23-R59 HydrophobicContact CD1-CB 4.26Å; Y24-R59 WeakPolarHBondContact O-CA 3.32Å; Y24-R59 WeakPolarHBondContact O-CD 3.33Å; T56-R59 VanDerWaalsContact O-CZ 3.31Å; T56-R59 PolarHBondContact O-NH1 3.49Å; T56-R59 PolarHBondContact O-NH2 2.84Å
60L84.5Confident70Confident0 Ų062 Ų620%036%0.36CS..EExtended strand (participates in β ladder)trans-111.1127.7169.4-60.7-179.4000109.6C7 V8 F23 Y24 F26 W36 V40 F65 P77C7-L60 WeakPolarHBondContact SG-CD2 3.31Å; V8-L60 HydrophobicContact CG2-CD2 3.45Å; V8-L60 VanDerWaalsContact CG2-CD2 3.45Å; F23-L60 CarbonylContact C-O 3.57Å; Y24-L60 PolarHBondContact N-O 2.74Å; Y24-L60 PolarHBondContact O-N 3.39Å; F26-L60 HydrophobicContact CZ-CG 4.38Å; W36-L60 HydrophobicContact CD2-CD1 4.24Å; W36-L60 HydrophobicContact CE3-CD1 3.43Å; W36-L60 VanDerWaalsContact CE3-CD1 3.43Å; W36-L60 HydrophobicContact CE3-CG 4.42Å; W36-L60 HydrophobicContact CZ3-CD1 3.74Å; W36-L60 HydrophobicContact CZ3-CG 4.42Å; V40-L60 HydrophobicContact CG2-CD1 3.87Å; V40-L60 HydrophobicContact CG2-CD2 3.78Å; V40-L60 HydrophobicContact CG2-CG 4.49Å; L60-F65 HydrophobicContact CB-CE2 4.41Å; L60-P77 HydrophobicContact CD1-CB 4.43Å; L60-P77 HydrophobicContact CD1-CG 3.65Å
61C85Confident70.9Confident0 Ų061 Ų610%035%0.35CS..EExtended strand (participates in β ladder)trans-77.9155.1173.771.80000111.7C6 N13 H22 F23 V63 H64C6-C61 HydrophobicContact CB-CB 4.26Å; C6-C61 PolarHBondContact SG-N 2.89Å; N13-C61 HydrophobicContact CB-CB 4.29Å; N13-C61 PolarHBondContact ND2-SG 2.74Å; H22-C61 CarbonylContact O-C 3.6Å; H22-C61 WeakPolarHBondContact O-CA 3.32Å; F23-C61 HydrophobicContact CD1-CB 4.01Å; F23-C61 HydrophobicContact CE1-CB 3.66Å; F23-C61 HydrophobicContact CE2-CB 4.39Å; F23-C61 HydrophobicContact CZ-CB 3.85Å; C61-V63 VanDerWaalsContact C-N 3.28Å; C61-V63 PolarHBondContact O-N 2.91Å; C61-V63 VanDerWaalsContact O-N 3.16Å; C61-H64 PolarHBondContact O-CD2 2.97Å; C61-H64 PolarHBondContact O-N 3.04Å
62S85.2Confident71.3Confident3 Ų363.7 Ų63.72%0.02135%0.347CS..G310 helixtrans-67.7-19.3-163.869.80000115.6H22 H64 F65 G68H22-S62 WeakPolarHBondContact O-CB 3.44Å; H22-S62 PolarHBondContact O-N 3.42Å; S62-H64 PolarHBondContact O-N 3Å; S62-F65 PolarHBondContact O-N 2.99Å; S62-G68 CarbonylContact C-O 3.52Å; S62-G68 WeakPolarHBondContact CB-O 3.46Å; S62-G68 CarbonylContact O-C 3.53Å; S62-G68 WeakPolarHBondContact O-CA 3.38Å; S62-G68 VanDerWaalsContact O-O 3.13Å; S62-G68 PolarHBondContact OG-O 3.49Å
63V81.7Confident71.4Confident58 Ų5867 Ų6735%0.35237%0.371SS..G310 helixtrans-64.9-15.9178.4-610000114.7L21 C61 F65L21-V63 HydrophobicContact CD1-CG1 4.42Å; L21-V63 HydrophobicContact CD2-CG1 3.83Å; C61-V63 VanDerWaalsContact C-N 3.28Å; C61-V63 PolarHBondContact O-N 2.91Å; C61-V63 VanDerWaalsContact O-N 3.16Å; V63-F65 VanDerWaalsContact C-N 3.29Å
64H79.8Confident71.5Confident6 Ų660.9 Ų60.93%0.02835%0.345CS..G310 helixtrans-81.3-8.3177.1-62.7-61.2000113.8C11 C61 S62 P77 T78 I79C11-H64 PolarHBondContact SG-NE2 2.96Å; C61-H64 PolarHBondContact O-CD2 2.97Å; C61-H64 PolarHBondContact O-N 3.04Å; S62-H64 PolarHBondContact O-N 3Å; H64-P77 HydrophobicContact CB-CB 4.01Å; H64-P77 CarbonylContact O-C 3.6Å; H64-P77 VanDerWaalsContact O-CA 3.26Å; H64-P77 WeakPolarHBondContact O-CA 3.49Å; H64-P77 WeakPolarHBondContact O-CB 3.44Å; H64-T78 PolarHBondContact O-N 3.07Å; H64-I79 PolarHBondContact ND1-O 2.82Å; H64-I79 PolarHBondContact O-N 3.15Å
65F80.6Confident71.8Confident0 Ų065.9 Ų65.90%036%0.363CS..SBendtrans-93.7141.5173.5-61-94.2000109.3Y24 W36 L60 S62 V63 G67 G68 R69 K70 V74 P77Y24-F65 HydrophobicContact CD2-CD2 4.14Å; Y24-F65 AromaticContact CD2-CE2 3.62Å; Y24-F65 HydrophobicContact CD2-CE2 3.62Å; Y24-F65 HydrophobicContact CD2-CZ 4.17Å; Y24-F65 HydrophobicContact CE2-CD2 4.22Å; Y24-F65 HydrophobicContact CE2-CE2 4.16Å; W36-F65 HydrophobicContact CH2-CE1 4.02Å; W36-F65 AromaticContact CH2-CZ 3.54Å; W36-F65 HydrophobicContact CH2-CZ 3.54Å; W36-F65 AromaticContact CZ2-CE1 3.65Å; W36-F65 HydrophobicContact CZ2-CE1 3.65Å; W36-F65 AromaticContact CZ2-CZ 3.68Å; W36-F65 HydrophobicContact CZ2-CZ 3.68Å; W36-F65 HydrophobicContact CZ3-CZ 4.11Å; L60-F65 HydrophobicContact CB-CE2 4.41Å; S62-F65 PolarHBondContact O-N 2.99Å; V63-F65 VanDerWaalsContact C-N 3.29Å; F65-G67 PolarHBondContact O-N 3.26Å; F65-G68 PolarHBondContact O-N 3Å; F65-R69 WeakPolarHBondContact CB-O 3.45Å; F65-K70 HydrophobicContact CD1-CB 4.08Å; F65-K70 HydrophobicContact CD1-CG 4.2Å; F65-K70 HydrophobicContact CE1-CB 4.28Å; F65-K70 HydrophobicContact CE1-CD 4.5Å; F65-K70 HydrophobicContact CE1-CG 4.17Å; F65-K70 HydrophobicContact CG-CB 4.31Å; F65-V74 HydrophobicContact CB-CG1 4.09Å; F65-P77 HydrophobicContact CD1-CB 4.32Å; F65-P77 HydrophobicContact CE1-CB 4.06Å; F65-P77 HydrophobicContact CE1-CG 4.07Å; F65-P77 HydrophobicContact CE2-CB 4.33Å; F65-P77 HydrophobicContact CZ-CB 4.05Å; F65-P77 HydrophobicContact CZ-CG 4.01Å
66Q65.2Low72.2Confident113 Ų11362.9 Ų62.953%0.52834%0.344SS..THydrogen-bonded Turntrans-54.7123.7174.5-158.568.529.200110.6V74 T78Q66-V74 HydrophobicContact CB-CG1 3.67Å; Q66-V74 HydrophobicContact CB-CG2 4.08Å; Q66-T78 PolarHBondContact OE1-OG1 2.86Å
67G62Low72.6Confident77 Ų7756.8 Ų56.879%0.79431%0.307SS*.THydrogen-bonded Turntrans82.77.9-173.500000115.4F65 R69F65-G67 PolarHBondContact O-N 3.26Å; G67-R69 VanDerWaalsContact C-N 3.25Å; G67-R69 PolarHBondContact O-N 2.91Å
68G63.4Low72.5Confident25 Ų2558 Ų5826%0.25831%0.305SS..SBendtrans74.85.617100000116.1S62 F65S62-G68 CarbonylContact C-O 3.52Å; S62-G68 WeakPolarHBondContact CB-O 3.46Å; S62-G68 CarbonylContact O-C 3.53Å; S62-G68 WeakPolarHBondContact O-CA 3.38Å; S62-G68 VanDerWaalsContact O-O 3.13Å; S62-G68 PolarHBondContact OG-O 3.49Å; F65-G68 PolarHBondContact O-N 3Å
69R66.2Low71.8Confident131 Ų13159 Ų5949%0.49431%0.311SS..SBendtrans-143.8152.5175.5-69.5-178.3172.9-92.5-16.1109.5H22 F65 G67H22-R69 PolarHBondContact CD2-NH1 3.17Å; H22-R69 PolarHBondContact NE2-NH1 3.04Å; H22-R69 PolarHBondContact NE2-NH2 3.43Å; F65-R69 WeakPolarHBondContact CB-O 3.45Å; G67-R69 VanDerWaalsContact C-N 3.25Å; G67-R69 PolarHBondContact O-N 2.91Å
70K67.3Low70.9Confident87 Ų8758.8 Ų58.838%0.37831%0.311SS..  trans-78125172.2-176.4-172.7176.1-173.90109.4Y24 W36 F65Y24-K70 HydrophobicContact CD1-CD 4.45Å; Y24-K70 HydrophobicContact CD2-CB 4.32Å; Y24-K70 HydrophobicContact CE1-CB 3.98Å; Y24-K70 HydrophobicContact CE2-CB 3.74Å; Y24-K70 PolarHBondContact OH-N 3.48Å; W36-K70 HydrophobicContact CZ2-CD 4.47Å; F65-K70 HydrophobicContact CD1-CB 4.08Å; F65-K70 HydrophobicContact CD1-CG 4.2Å; F65-K70 HydrophobicContact CE1-CB 4.28Å; F65-K70 HydrophobicContact CE1-CD 4.5Å; F65-K70 HydrophobicContact CE1-CG 4.17Å; F65-K70 HydrophobicContact CG-CB 4.31Å
71T69.8Low69.8Low75 Ų7563 Ų6346%0.4634%0.339SS..  trans-122.2163.5-178-560000109.9T73 V74T71-T73 PolarHBondContact O-N 3.39Å; T71-V74 PolarHBondContact N-O 2.98Å; T71-V74 CarbonylContact O-C 3.18Å; T71-V74 PolarHBondContact O-N 3.38Å; T71-V74 VanDerWaalsContact O-N 3.13Å
72Y61.8Low68.4Low187 Ų18770.7 Ų70.773%0.73338%0.379SS*.SBendtrans-56.5-34.4-179.4-178.3-96.8000113.6R75Y72-R75 VanDerWaalsContact CE2-NH2 3.3Å; Y72-R75 WeakPolarHBondContact O-CG 3.26Å; Y72-R75 PolarHBondContact O-NE 3.41Å; Y72-R75 PolarHBondContact OH-NH2 2.71Å
73T63.3Low66.6Low117 Ų11776.2 Ų76.272%0.71840%0.4SS*.SBendtrans-79.6-45.8172.248.20000111.8T71 R75T71-T73 PolarHBondContact O-N 3.39Å; T73-R75 VanDerWaalsContact C-N 3.33Å; T73-R75 PolarHBondContact O-N 3.13Å
74V63.2Low64.9Low32 Ų3276.8 Ų76.819%0.19442%0.417CS..  trans-87.368.2-179.2-168.20000111F65 Q66 T71F65-V74 HydrophobicContact CB-CG1 4.09Å; Q66-V74 HydrophobicContact CB-CG1 3.67Å; Q66-V74 HydrophobicContact CB-CG2 4.08Å; T71-V74 PolarHBondContact N-O 2.98Å; T71-V74 CarbonylContact O-C 3.18Å; T71-V74 PolarHBondContact O-N 3.38Å; T71-V74 VanDerWaalsContact O-N 3.13Å
75R68.4Low63.3Low112 Ų11281.4 Ų81.442%0.42345%0.445SS..  trans-80.2-16.2179.8-55.9-174.8-169.4176.92.6114.1L32 W36 Y72 T73L32-R75 HydrophobicContact CD1-CB 4.28Å; L32-R75 HydrophobicContact CD2-CB 4.44Å; W36-R75 WeakPolarHBondContact CZ2-O 3.25Å; W36-R75 PolarHBondContact NE1-O 3.34Å; Y72-R75 VanDerWaalsContact CE2-NH2 3.3Å; Y72-R75 WeakPolarHBondContact O-CG 3.26Å; Y72-R75 PolarHBondContact O-NE 3.41Å; Y72-R75 PolarHBondContact OH-NH2 2.71Å; T73-R75 VanDerWaalsContact C-N 3.33Å; T73-R75 PolarHBondContact O-N 3.13Å
76V72.9Confident61.4Low29 Ų2988.8 Ų88.818%0.17649%0.485CS..SBendtrans-118.6133.1-169.5-179.80000108.3L32 L35 N39L32-V76 HydrophobicContact CD1-CG2 3.64Å; L35-V76 HydrophobicContact CD2-CG1 4.09Å; L35-V76 HydrophobicContact CD2-CG2 3.66Å; L35-V76 HydrophobicContact CG-CG1 3.96Å; L35-V76 HydrophobicContact CG-CG2 4.3Å; N39-V76 VanDerWaalsContact ND2-CG1 3.31Å; N39-V76 WeakPolarHBondContact ND2-CG1 3.35Å
77P72.9Confident60.4Low0 Ų091.1 Ų91.10%050%0.496CS..  trans-70.4135.616920.1-16.1000109.3W36 N39 L60 H64 F65 F80W36-P77 HydrophobicContact CD2-CG 4.12Å; W36-P77 HydrophobicContact CG-CG 4.19Å; N39-P77 PolarHBondContact ND2-O 3.33Å; L60-P77 HydrophobicContact CD1-CB 4.43Å; L60-P77 HydrophobicContact CD1-CG 3.65Å; H64-P77 HydrophobicContact CB-CB 4.01Å; H64-P77 CarbonylContact O-C 3.6Å; H64-P77 VanDerWaalsContact O-CA 3.26Å; H64-P77 WeakPolarHBondContact O-CA 3.49Å; H64-P77 WeakPolarHBondContact O-CB 3.44Å; F65-P77 HydrophobicContact CD1-CB 4.32Å; F65-P77 HydrophobicContact CE1-CB 4.06Å; F65-P77 HydrophobicContact CE1-CG 4.07Å; F65-P77 HydrophobicContact CE2-CB 4.33Å; F65-P77 HydrophobicContact CZ-CB 4.05Å; F65-P77 HydrophobicContact CZ-CG 4.01Å; P77-F80 HydrophobicContact CB-CE2 3.97Å; P77-F80 HydrophobicContact CB-CZ 3.91Å; P77-F80 HydrophobicContact CG-CE2 4.47Å; P77-F80 HydrophobicContact CG-CZ 4.2Å; P77-F80 WeakPolarHBondContact O-CE2 3.42Å
78T66.2Low59.5Low74 Ų7498.3 Ų98.345%0.45450%0.499SS..  trans-130.9-29.4-17450.40000111.9H64 Q66 F80H64-T78 PolarHBondContact O-N 3.07Å; Q66-T78 PolarHBondContact OE1-OG1 2.86Å; T78-F80 VanDerWaalsContact C-N 3.34Å; T78-F80 PolarHBondContact O-N 3.18Å
79I63.9Low58.5Low72 Ų72106.1 Ų106.137%0.36953%0.526SS..  trans-8482.3-179.3-53.9-178.4000109H64H64-I79 PolarHBondContact ND1-O 2.82Å; H64-I79 PolarHBondContact O-N 3.15Å
80F66.6Low57.5Low36 Ų36106.3 Ų106.316%0.15854%0.541CS..  trans-99.7123.8166.5-68.6-84.5000109V8 N39 V40 P77 T78 L82V8-F80 HydrophobicContact CB-CE1 4.42Å; V8-F80 HydrophobicContact CG1-CD1 3.59Å; V8-F80 HydrophobicContact CG1-CE1 3.79Å; V8-F80 HydrophobicContact CG2-CD1 4.39Å; V8-F80 HydrophobicContact CG2-CE1 3.73Å; N39-F80 HydrophobicContact CB-CD2 4.19Å; N39-F80 HydrophobicContact CB-CE2 3.52Å; N39-F80 HydrophobicContact CB-CZ 4.09Å; V40-F80 HydrophobicContact CB-CE1 4.22Å; V40-F80 HydrophobicContact CB-CZ 4.33Å; V40-F80 HydrophobicContact CG2-CE1 3.73Å; V40-F80 HydrophobicContact CG2-CZ 3.57Å; P77-F80 HydrophobicContact CB-CE2 3.97Å; P77-F80 HydrophobicContact CB-CZ 3.91Å; P77-F80 HydrophobicContact CG-CE2 4.47Å; P77-F80 HydrophobicContact CG-CZ 4.2Å; P77-F80 WeakPolarHBondContact O-CE2 3.42Å; T78-F80 VanDerWaalsContact C-N 3.34Å; T78-F80 PolarHBondContact O-N 3.18Å; F80-L82 PolarHBondContact O-N 3.33Å
81P60.1Low56.5Low90 Ų90106 Ų10658%0.58455%0.554SS**  trans-61.793.3159.1-16.931.3000107.3R83P81-R83 PolarHBondContact O-N 3.46Å
82L54.9Low55.5Low161 Ų161114 Ų11484%0.84358%0.577SS**  trans-56.6132.9179.8-80.1171.3000108.8F80F80-L82 PolarHBondContact O-N 3.33Å
83R48.5Very low55Low119 Ų119115.9 Ų115.945%0.44958%0.582SS.*  trans-10.5140.9-179.6-69.3174.2154.2124.7-5.1116.7R42 A43 G44 P81 V85R42-R83 PolarHBondContact O-NH2 3.18Å; R42-R83 VanDerWaalsContact O-NH2 3.08Å; A43-R83 VanDerWaalsContact C-NH2 3.33Å; A43-R83 VanDerWaalsContact O-CZ 3.24Å; A43-R83 PolarHBondContact O-NH1 2.94Å; A43-R83 PolarHBondContact O-NH2 2.82Å; G44-R83 VanDerWaalsContact C-NH2 3.32Å; G44-R83 PolarHBondContact O-NH2 3.03Å; P81-R83 PolarHBondContact O-N 3.46Å; R83-V85 HydrophobicContact CB-CG1 4.02Å; R83-V85 HydrophobicContact CB-CG2 4.37Å; R83-V85 PolarHBondContact O-N 3.41Å
84G45.8Very low54.3Low70 Ų70114.8 Ų114.872%0.72258%0.577SS**THydrogen-bonded Turntrans-63.568.4156.800000113.3
85V46.4Very low54.1Low102 Ų102117.6 Ų117.662%0.61860%0.604SS**THydrogen-bonded Turntrans-97.3-26.4165.5-72.60000111.6R83R83-V85 HydrophobicContact CB-CG1 4.02Å; R83-V85 HydrophobicContact CB-CG2 4.37Å; R83-V85 PolarHBondContact O-N 3.41Å
86N39.6Very low53.6Low155 Ų155114.6 Ų114.683%0.82961%0.607SS**SBendtrans-95.9-37.2175.6-69.7-14.1000112.4R88N86-R88 PolarHBondContact O-N 2.95Å
87E45.8Very low53.2Low162 Ų162115.8 Ų115.876%0.75762%0.62SS**  trans-75.576.2163.7-72.1-150.9126.400110.9K89E87-K89 PolarHBondContact O-N 3.17Å
88R42.6Very low52.9Low228 Ų228118.8 Ų118.886%0.8665%0.645SS**  trans-62.178.7145.6-76-177.6173.5178.6-2.1107.6N86 V90N86-R88 PolarHBondContact O-N 2.95Å; R88-V90 WeakPolarHBondContact O-CA 3.26Å; R88-V90 PolarHBondContact O-N 3.08Å
89K42.1Very low53.4Low190 Ų190117.7 Ų117.783%0.82664%0.643SS**  trans-42108.6178.4-179.6172.4-172.4164.70108.5E87 A91E87-K89 PolarHBondContact O-N 3.17Å; K89-A91 PolarHBondContact O-N 2.88Å
90V44.7Very low54.1Low135 Ų135116.8 Ų116.882%0.81865%0.647SS**  trans-40.1113.1-156.7176.20000109.9R88 R92R88-V90 WeakPolarHBondContact O-CA 3.26Å; R88-V90 PolarHBondContact O-N 3.08Å; V90-R92 PolarHBondContact O-N 3.12Å
91A46.5Very low54.8Low79 Ų79124.2 Ų124.265%0.65367%0.674SS**  trans-50.7113.6-166.800000109.1K89 R93K89-A91 PolarHBondContact O-N 2.88Å; A91-R93 PolarHBondContact O-N 2.78Å
92R50.1Low56Low245 Ų245129 Ų12993%0.92568%0.68SS**  trans-50.5110.7178.6-81.9-176.1167.6-173.4-3.9106.6V90V90-R92 PolarHBondContact O-N 3.12Å
93R49.8Very low57.6Low226 Ų226130 Ų13085%0.85367%0.673SS**  trans-42116.5-168.4-72.1170.161.3-137.81.8108.5A91 A95A91-R93 PolarHBondContact O-N 2.78Å; R93-A95 PolarHBondContact O-N 3.5Å
94P49.8Very low59.5Low94 Ų94129.9 Ų129.961%0.6168%0.677SS**  trans-59.4114-169.220.5-31.8000108.5G96 A97P94-G96 PolarHBondContact O-N 2.95Å; P94-A97 HydrophobicContact CG-CB 4.22Å; P94-A97 WeakPolarHBondContact O-CB 3.46Å; P94-A97 PolarHBondContact O-N 3.43Å
95A57.4Low61.6Low91 Ų91132.2 Ų132.275%0.75267%0.669SS**THydrogen-bonded Turntrans-58-29.7-170.900000112R93 A97R93-A95 PolarHBondContact O-N 3.5Å; A95-A97 VanDerWaalsContact C-N 3.26Å; A95-A97 PolarHBondContact O-N 3.31Å
96G58.1Low63.6Low48 Ų48133.1 Ų133.150%0.49567%0.667SS.*Hα-helixtrans-60.3-23.6172.200000115.3P94 A98 A99 A100P94-G96 PolarHBondContact O-N 2.95Å; G96-A98 PolarHBondContact O-N 3.4Å; G96-A99 PolarHBondContact O-N 3.02Å; G96-A100 VanDerWaalsContact O-CB 3.25Å; G96-A100 WeakPolarHBondContact O-CB 3.3Å; G96-A100 PolarHBondContact O-N 2.96Å
97A64.4Low66.1Low54 Ų54131.5 Ų131.545%0.44665%0.654SS.*Hα-helixtrans-68-33.3-177.800000113.2P94 A95 R101P94-A97 HydrophobicContact CG-CB 4.22Å; P94-A97 WeakPolarHBondContact O-CB 3.46Å; P94-A97 PolarHBondContact O-N 3.43Å; A95-A97 VanDerWaalsContact C-N 3.26Å; A95-A97 PolarHBondContact O-N 3.31Å; A97-R101 PolarHBondContact O-N 3.47Å
98A68.5Low68.2Low63 Ų63129.1 Ų129.152%0.52164%0.643SS.*Hα-helixtrans-74.6-39172.900000111.6G96 R102G96-A98 PolarHBondContact O-N 3.4Å; A98-R102 PolarHBondContact O-N 2.97Å; A98-R102 VanDerWaalsContact O-N 3.1Å
99A75.1Confident70.5Confident51 Ų51123.5 Ų123.542%0.42163%0.627SS.*Hα-helixtrans-66.4-40.5176.600000112.5G96 R102 R103G96-A99 PolarHBondContact O-N 3.02Å; A99-R102 PolarHBondContact O-N 3.01Å; A99-R103 WeakPolarHBondContact O-CG 3.4Å; A99-R103 PolarHBondContact O-N 2.78Å
100A78.8Confident72.8Confident53 Ų53120.3 Ų120.344%0.43862%0.615SS.*Hα-helixtrans-61.6-47.1176.200000111.5G96 R102 R103 Q104G96-A100 VanDerWaalsContact O-CB 3.25Å; G96-A100 WeakPolarHBondContact O-CB 3.3Å; G96-A100 PolarHBondContact O-N 2.96Å; A100-R102 PolarHBondContact O-N 2.98Å; A100-R103 PolarHBondContact O-N 3.12Å; A100-Q104 WeakPolarHBondContact O-CB 3.06Å; A100-Q104 PolarHBondContact O-N 3.43Å
101R82.1Confident75Confident192 Ų192119.8 Ų119.873%0.72560%0.603SS**Hα-helixtrans-59.7-43.3174.6-75.8-177.5175.8-123.3-0.9112.2A97 Q104 Q105A97-R101 PolarHBondContact O-N 3.47Å; R101-Q104 PolarHBondContact O-N 2.86Å; R101-Q105 WeakPolarHBondContact O-CB 3.49Å; R101-Q105 PolarHBondContact O-N 3.22Å
102R85.2Confident77Confident190 Ų190121.8 Ų121.872%0.71760%0.599SS**Hα-helixtrans-61.8-43.9175.1-77.9-171.6173.2-160.4-2112.7A98 A99 A100 Q105 Q106A98-R102 PolarHBondContact O-N 2.97Å; A98-R102 VanDerWaalsContact O-N 3.1Å; A99-R102 PolarHBondContact O-N 3.01Å; A100-R102 PolarHBondContact O-N 2.98Å; R102-Q105 PolarHBondContact O-N 3.19Å; R102-Q106 WeakPolarHBondContact O-CG 3.43Å; R102-Q106 PolarHBondContact O-N 3.23Å
103R87.4Confident78.9Confident183 Ų183115.9 Ų115.969%0.69158%0.582SS**Hα-helixtrans-61.5-45.2176.1-75.8-178.2173.7-168.3-2.9112.1A99 A100 Q105 Q106 Q107A99-R103 WeakPolarHBondContact O-CG 3.4Å; A99-R103 PolarHBondContact O-N 2.78Å; A100-R103 PolarHBondContact O-N 3.12Å; R103-Q105 VanDerWaalsContact C-N 3.31Å; R103-Q105 PolarHBondContact O-N 3Å; R103-Q106 PolarHBondContact O-N 2.92Å; R103-Q107 WeakPolarHBondContact O-CG 3.36Å; R103-Q107 PolarHBondContact O-N 3.26Å
104Q88.9Confident80.8Confident116 Ų116111 Ų11154%0.54257%0.569SS.*Hα-helixtrans-62.4-39.2177.9-168.3174.220.500111.8A100 R101 Q107 Q108A100-Q104 WeakPolarHBondContact O-CB 3.06Å; A100-Q104 PolarHBondContact O-N 3.43Å; R101-Q104 PolarHBondContact O-N 2.86Å; Q104-Q107 PolarHBondContact O-N 2.89Å; Q104-Q108 WeakPolarHBondContact O-CG 3.36Å; Q104-Q108 PolarHBondContact O-N 3.18Å; Q104-Q108 VanDerWaalsContact O-N 3.13Å
105Q89.7Confident82.6Confident120 Ų120112.4 Ų112.456%0.56157%0.567SS**Hα-helixtrans-69.3-37.3177.7-157.9168.224.500112.4R101 R102 R103 Q108 Q109R101-Q105 WeakPolarHBondContact O-CB 3.49Å; R101-Q105 PolarHBondContact O-N 3.22Å; R102-Q105 PolarHBondContact O-N 3.19Å; R103-Q105 VanDerWaalsContact C-N 3.31Å; R103-Q105 PolarHBondContact O-N 3Å; Q105-Q108 PolarHBondContact O-N 3.38Å; Q105-Q109 WeakPolarHBondContact O-CG 3.34Å; Q105-Q109 PolarHBondContact O-N 3.46Å
106Q89.7Confident84.1Confident120 Ų120113.7 Ų113.756%0.56156%0.558SS**Hα-helixtrans-65.6-40.8172.3-75.1179.8-46.700112.5R102 R103 Q108 Q109 Q110R102-Q106 WeakPolarHBondContact O-CG 3.43Å; R102-Q106 PolarHBondContact O-N 3.23Å; R103-Q106 PolarHBondContact O-N 2.92Å; Q106-Q108 PolarHBondContact O-N 3.16Å; Q106-Q109 PolarHBondContact O-N 2.75Å; Q106-Q110 PolarHBondContact O-N 3.01Å
107Q90.8Very high85.4Confident122 Ų122117.1 Ų117.157%0.5756%0.561SS**Hα-helixtrans-62.4-40.9176.5-75.1176.5-33.200112.2R103 Q104 Q110 Q111R103-Q107 WeakPolarHBondContact O-CG 3.36Å; R103-Q107 PolarHBondContact O-N 3.26Å; Q104-Q107 PolarHBondContact O-N 2.89Å; Q107-Q110 PolarHBondContact O-N 3.19Å; Q107-Q111 PolarHBondContact O-N 2.81Å; Q107-Q111 VanDerWaalsContact O-N 3.11Å
108Q90.4Very high86.4Confident111 Ų111120.4 Ų120.452%0.51957%0.567SS.*Hα-helixtrans-63.7-40.3175.4-73.9177.8-20.700112.5Q104 Q105 Q106 Q111 Q112Q104-Q108 WeakPolarHBondContact O-CG 3.36Å; Q104-Q108 PolarHBondContact O-N 3.18Å; Q104-Q108 VanDerWaalsContact O-N 3.13Å; Q105-Q108 PolarHBondContact O-N 3.38Å; Q106-Q108 PolarHBondContact O-N 3.16Å; Q108-Q111 PolarHBondContact O-N 3.49Å; Q108-Q112 WeakPolarHBondContact O-CG 3.48Å; Q108-Q112 PolarHBondContact O-N 3.46Å; Q108-Q112 VanDerWaalsContact O-N 3.14Å
109Q90.3Very high87.2Confident111 Ų111123.1 Ų123.152%0.51957%0.569SS.*Hα-helixtrans-65.2-39.6176.2-73.5178.7-17.900112.5Q105 Q106 Q112 Q113Q105-Q109 WeakPolarHBondContact O-CG 3.34Å; Q105-Q109 PolarHBondContact O-N 3.46Å; Q106-Q109 PolarHBondContact O-N 2.75Å; Q109-Q112 PolarHBondContact O-N 2.86Å; Q109-Q113 WeakPolarHBondContact O-CG 3.47Å; Q109-Q113 PolarHBondContact O-N 3.08Å; Q109-Q113 VanDerWaalsContact O-N 3.13Å
110Q90.4Very high87.5Confident122 Ų122126.1 Ų126.157%0.5757%0.574SS**Hα-helixtrans-64.9-40.4176.2-73.2179-15.200112.4Q106 Q107 Q113 Q114Q106-Q110 PolarHBondContact O-N 3.01Å; Q107-Q110 PolarHBondContact O-N 3.19Å; Q110-Q113 PolarHBondContact O-N 2.83Å; Q110-Q114 WeakPolarHBondContact O-CG 3.48Å; Q110-Q114 PolarHBondContact O-N 3.07Å; Q110-Q114 VanDerWaalsContact O-N 3.11Å
111Q90.6Very high87.5Confident124 Ų124130 Ų13058%0.57958%0.583SS**Hα-helixtrans-63.4-40.8175.5-73.8-179.8-16.300112.4Q107 Q108 Q114 Q115Q107-Q111 PolarHBondContact O-N 2.81Å; Q107-Q111 VanDerWaalsContact O-N 3.11Å; Q108-Q111 PolarHBondContact O-N 3.49Å; Q111-Q114 PolarHBondContact O-N 2.96Å; Q111-Q115 PolarHBondContact O-N 2.89Å; Q111-Q115 VanDerWaalsContact O-N 3.12Å
112Q90.1Very high87.1Confident122 Ų122128 Ų12857%0.5758%0.582SS**Hα-helixtrans-64-40.2176.4-72.8178.6-7.800112.4Q108 Q109 Q115 Q116Q108-Q112 WeakPolarHBondContact O-CG 3.48Å; Q108-Q112 PolarHBondContact O-N 3.46Å; Q108-Q112 VanDerWaalsContact O-N 3.14Å; Q109-Q112 PolarHBondContact O-N 2.86Å; Q112-Q115 PolarHBondContact O-N 3.05Å; Q112-Q116 WeakPolarHBondContact O-CG 3.39Å; Q112-Q116 PolarHBondContact O-N 3.17Å; Q112-Q116 VanDerWaalsContact O-N 3.15Å
113Q89.4Confident86.3Confident121 Ų121126.8 Ų126.857%0.56559%0.585SS**Hα-helixtrans-64.9-40176.1-72.2179.4-3.500112.4Q109 Q110 Q116 Q117Q109-Q113 WeakPolarHBondContact O-CG 3.47Å; Q109-Q113 PolarHBondContact O-N 3.08Å; Q109-Q113 VanDerWaalsContact O-N 3.13Å; Q110-Q113 PolarHBondContact O-N 2.83Å; Q113-Q116 PolarHBondContact O-N 2.82Å; Q113-Q117 WeakPolarHBondContact O-CG 3.27Å; Q113-Q117 PolarHBondContact O-N 3.04Å; Q113-Q117 VanDerWaalsContact O-N 3.11Å
114Q88.8Confident85.1Confident123 Ų123125 Ų12558%0.57558%0.584SS**Hα-helixtrans-63.9-40.6176-72.7179.7-4.800112.4Q110 Q111 Q117 Q118Q110-Q114 WeakPolarHBondContact O-CG 3.48Å; Q110-Q114 PolarHBondContact O-N 3.07Å; Q110-Q114 VanDerWaalsContact O-N 3.11Å; Q111-Q114 PolarHBondContact O-N 2.96Å; Q114-Q117 PolarHBondContact O-N 3.28Å; Q114-Q118 PolarHBondContact O-N 3.46Å; Q114-Q118 VanDerWaalsContact O-N 3.1Å
115Q88.7Confident83.3Confident123 Ų123127 Ų12758%0.57559%0.594SS**Hα-helixtrans-63.4-40.5175.9-72.8-179.5-6.800112.4Q111 Q112 Q118 Q119Q111-Q115 PolarHBondContact O-N 2.89Å; Q111-Q115 VanDerWaalsContact O-N 3.12Å; Q112-Q115 PolarHBondContact O-N 3.05Å; Q115-Q118 PolarHBondContact O-N 3.18Å; Q115-Q119 PolarHBondContact O-N 2.93Å; Q115-Q119 VanDerWaalsContact O-N 3.14Å
116Q87.9Confident81.3Confident118 Ų118127 Ų12755%0.55160%0.604SS**Hα-helixtrans-64.3-39.8176.1-71.7179.6-0.800112.4Q112 Q113 Q119 Q120Q112-Q116 WeakPolarHBondContact O-CG 3.39Å; Q112-Q116 PolarHBondContact O-N 3.17Å; Q112-Q116 VanDerWaalsContact O-N 3.15Å; Q113-Q116 PolarHBondContact O-N 2.82Å; Q116-Q119 PolarHBondContact O-N 3.29Å; Q116-Q120 WeakPolarHBondContact O-CG 3.49Å; Q116-Q120 PolarHBondContact O-N 3.45Å; Q116-Q120 VanDerWaalsContact O-N 3.14Å
117Q86.6Confident79.2Confident121 Ų121126.3 Ų126.357%0.56561%0.612SS**Hα-helixtrans-65-39.7176.1-71.4179.53.500112.4Q113 Q114 Q120 Q121Q113-Q117 WeakPolarHBondContact O-CG 3.27Å; Q113-Q117 PolarHBondContact O-N 3.04Å; Q113-Q117 VanDerWaalsContact O-N 3.11Å; Q114-Q117 PolarHBondContact O-N 3.28Å; Q117-Q120 PolarHBondContact O-N 2.85Å; Q117-Q121 WeakPolarHBondContact O-CG 3.31Å; Q117-Q121 PolarHBondContact O-N 3.49Å; Q117-Q121 VanDerWaalsContact O-N 3.08Å
118Q85.6Confident77.1Confident123 Ų123126.6 Ų126.658%0.57563%0.625SS**Hα-helixtrans-63.9-40.3176-72.5-179.8-1.200112.4Q114 Q115 Q121 Q122Q114-Q118 PolarHBondContact O-N 3.46Å; Q114-Q118 VanDerWaalsContact O-N 3.1Å; Q115-Q118 PolarHBondContact O-N 3.18Å; Q118-Q121 PolarHBondContact O-N 3.46Å; Q118-Q122 PolarHBondContact O-N 3.03Å; Q118-Q122 VanDerWaalsContact O-N 3.09Å
119Q84.3Confident74.8Confident119 Ų119126.8 Ų126.856%0.55664%0.638SS**Hα-helixtrans-64-39.6175.8-71.71800.800112.3Q115 Q116 Q122 Q123Q115-Q119 PolarHBondContact O-N 2.93Å; Q115-Q119 VanDerWaalsContact O-N 3.14Å; Q116-Q119 PolarHBondContact O-N 3.29Å; Q119-Q122 PolarHBondContact O-N 2.86Å; Q119-Q123 PolarHBondContact O-N 2.83Å
120Q82.4Confident72.3Confident115 Ų115125.9 Ų125.954%0.53765%0.65SS.*Hα-helixtrans-65.9-37.8176-70.6178.712.100112.5Q116 Q117 Q123 Q124Q116-Q120 WeakPolarHBondContact O-CG 3.49Å; Q116-Q120 PolarHBondContact O-N 3.45Å; Q116-Q120 VanDerWaalsContact O-N 3.14Å; Q117-Q120 PolarHBondContact O-N 2.85Å; Q120-Q123 PolarHBondContact O-N 2.98Å; Q120-Q124 WeakPolarHBondContact O-CG 3.42Å; Q120-Q124 PolarHBondContact O-N 3.49Å
121Q78.9Confident69.9Low133 Ų133125.3 Ų125.362%0.62166%0.659SS**Hα-helixtrans-68.3-36.7176.4-72.2-179.15.600112.8Q117 Q118 Q123 Q124Q117-Q121 WeakPolarHBondContact O-CG 3.31Å; Q117-Q121 PolarHBondContact O-N 3.49Å; Q117-Q121 VanDerWaalsContact O-N 3.08Å; Q118-Q121 PolarHBondContact O-N 3.46Å; Q121-Q123 VanDerWaalsContact C-N 3.32Å; Q121-Q123 PolarHBondContact O-N 2.9Å; Q121-Q124 PolarHBondContact O-N 3.32Å; Q121-Q124 VanDerWaalsContact O-N 3.14Å
122Q73.8Confident67.8Low151 Ų151125.8 Ų125.871%0.70667%0.671SS**Hα-helixtrans-65.1-35.2175.4-73.8-176.4-2.700112.6Q118 Q119 Q124Q118-Q122 PolarHBondContact O-N 3.03Å; Q118-Q122 VanDerWaalsContact O-N 3.09Å; Q119-Q122 PolarHBondContact O-N 2.86Å; Q122-Q124 PolarHBondContact O-N 3.31Å
123Q67.9Low65.4Low165 Ų165124.4 Ų124.477%0.77168%0.68SS**THydrogen-bonded Turntrans-73.1-7.7174.9-67.4178.917.100113.9Q119 Q120 Q121Q119-Q123 PolarHBondContact O-N 2.83Å; Q120-Q123 PolarHBondContact O-N 2.98Å; Q121-Q123 VanDerWaalsContact C-N 3.32Å; Q121-Q123 PolarHBondContact O-N 2.9Å
124Q61.5Low63Low146 Ų146127 Ų12768%0.68269%0.692SS**THydrogen-bonded Turntrans-107.75.6-178.8-7017525.700113.7Q120 Q121 Q122 P126Q120-Q124 WeakPolarHBondContact O-CG 3.42Å; Q120-Q124 PolarHBondContact O-N 3.49Å; Q121-Q124 PolarHBondContact O-N 3.32Å; Q121-Q124 VanDerWaalsContact O-N 3.14Å; Q122-Q124 PolarHBondContact O-N 3.31Å; Q124-P126 WeakPolarHBondContact O-CD 3.4Å
125Q51.1Low60.6Low158 Ų158127.8 Ų127.874%0.73871%0.706SS**SBendtrans-75.7119.1168.6-67.3-157.63.400110.2S127Q125-S127 PolarHBondContact O-N 3.38Å
126P48.3Very low58.1Low119 Ų119126.6 Ų126.677%0.77371%0.711SS**PPolyproline II helixtrans-69.1123.1174.529-33.5000109.4Q124 P128Q124-P126 WeakPolarHBondContact O-CD 3.4Å; P126-P128 WeakPolarHBondContact O-CD 3.37Å
127S45.2Very low55.6Low105 Ų105128.5 Ų128.573%0.73472%0.72SS**PPolyproline II helixtrans-64.4119-177.954.30000111.8Q125 S129Q125-S127 PolarHBondContact O-N 3.38Å; S127-S129 PolarHBondContact O-N 3.03Å
128P47.7Very low53.3Low129 Ų129130.1 Ų130.184%0.83873%0.731SS**PPolyproline II helixtrans-73.7121.2171.529.7-32.2000110P126P126-P128 WeakPolarHBondContact O-CD 3.37Å
129S40.6Very low51.2Low114 Ų114132.6 Ų132.680%0.79774%0.743SS**PPolyproline II helixtrans-72135.4-179.4-58.70000112.9S127S127-S129 PolarHBondContact O-N 3.03Å
130A38.3Very low49.6Very low92 Ų92132 Ų13276%0.7675%0.749SS**  trans46.4119.3153.300000120.2
131S40.6Very low47.3Very low110 Ų110133 Ų13377%0.76976%0.759SS**  168.2123.3110.9-73.90000115.1
132T45.5Very low45.4Very low134 Ų134134.2 Ų134.282%0.82277%0.769SS**  39.398.8128.3-40.70000122
133A39.7Very low43.7Very low93 Ų93134 Ų13477%0.76978%0.777SS**  trans-159.2129.9139.400000106.6
134Q40.3Very low42.2Very low175 Ų175132 Ų13282%0.81878%0.781SS**  67.4134.251.6-69.7-158.6-5.300115.5
135T37.5Very low41Very low140 Ų140129.4 Ų129.486%0.85979%0.785SS**  trans74.9132.8171.6-53.60000116.2
136S36.6Very low40.7Very low98 Ų98127.7 Ų127.769%0.68579%0.79SS**  cis-165.5152.4-22.6-163.50000111.1
137Q36.3Very low40.1Very low158 Ų158127 Ų12774%0.73880%0.795SS**  trans32120.7152.9-65.1-73.8-1.900121
138L38.3Very low39.8Very low155 Ų155126.4 Ų126.481%0.81280%0.797SS**  -178.696.8110.2-97.1166.9000114.8
139Q39.7Very low39.1Very low175 Ų175126.3 Ų126.382%0.81879%0.793SS**  trans62.3160.7147.8-73.1-162.4-9.900122
140P50.5Low38.7Very low106 Ų106127.8 Ų127.869%0.68879%0.791SS**  trans-130.1-168.4-142.746.4-32.8000117.3
141N35.3Very low38.5Very low137 Ų137132 Ų13273%0.73380%0.8SS**  trans74.190.1175.1-69.2-18.6000115.7
142L39.4Very low38.3Very low159 Ų159132.1 Ų132.183%0.83280%0.797SS**  70.592.471.7-64.2174.2000113.5
143V37.8Very low37.9Very low145 Ų145132.4 Ų132.488%0.87979%0.792SS**PPolyproline II helixtrans-83.9138.2156.6-172.30000107.8
144S35.3Very low37.6Very low123 Ų123135.9 Ų135.986%0.8679%0.792SS**PPolyproline II helixtrans-63143.2-172.2-164.50000113.4
145A37.3Very low37.2Very low92 Ų92132.2 Ų132.276%0.7679%0.792SS**PPolyproline II helixtrans-91.3156.6-177.500000113.3
146S43.7Very low36.9Very low122 Ų122129.4 Ų129.485%0.85378%0.783SS**PPolyproline II helixtrans-48144.1177.5-44.60000115.7
147A37.1Very low36.8Very low106 Ų106131.7 Ų131.788%0.87679%0.793SS**  trans-125144.6146.400000108.2
148A38.6Very low36.5Very low92 Ų92130.8 Ų130.876%0.7679%0.793SS**  trans-125.8-156.2-17500000110.4
149V32.4Very low36.3Very low126 Ų126127.8 Ų127.876%0.76479%0.785SS**  trans90104.5162-1710000116.7
150L32.7Very low36Very low146 Ų146124.5 Ų124.576%0.76478%0.781SS**  trans61.4132.6147.4-61171000121.2
151L34.3Very low35.1Very low179 Ų179127.8 Ų127.894%0.93779%0.787SS**  trans-136.7128.6142.5-149.176.4000109.1
152T36.3Very low35Very low114 Ų114125.3 Ų125.370%0.69979%0.786SS**  trans-112.5169.6179.246.80000111.5
153L36.2Very low35.2Very low140 Ų140123.9 Ų123.973%0.73379%0.786SS**  trans-71.5173.3172-46.282000109.9
154Q34.9Very low34.9Very low165 Ų165120.5 Ų120.577%0.77178%0.781SS**  cis-170.3152.212.2-146.4156.6-2300111.3
155A31.9Very low34.7Very low98 Ų98120 Ų12081%0.8178%0.777SS**  trans62170155.900000118
156A30.9Very low34.7Very low81 Ų81122 Ų12267%0.66978%0.779SS**  cis-158.3-171.4-3.300000111
157V33.6Very low34.8Very low146 Ų146121.8 Ų121.889%0.88578%0.776SS**  trans73.7148.4166.4-40.50000118.7
158D30.4Very low35.4Very low139 Ų139122.1 Ų122.174%0.74377%0.768SS**  cis-164.6158.6-30.2176.556.9000110
159S33.3Very low35Very low93 Ų93122.3 Ų122.365%0.6577%0.77SS**  trans63.7157.9165.5-82.70000117.6
160S33.7Very low35.4Very low105 Ų105121.8 Ų121.873%0.73477%0.769SS**  cis-169.5166.9-12.1-103.30000106.8
161Q31.4Very low35.4Very low176 Ų176123.1 Ų123.182%0.82278%0.775SS**  cis-160.2165.8-1.2163.1176.87.100108.1
162A34.4Very low35.3Very low84 Ų84120.7 Ų120.769%0.69477%0.768SS**  trans-130.5158.4165.700000111.2
163P43.9Very low35.6Very low129 Ų129121 Ų12184%0.83877%0.773SS**  -146.6-178.4100.838.1-20.4000113.2
164G29.7Very low35.3Very low75 Ų75121 Ų12177%0.77378%0.779SS**  cis-162.5-1617.800000113.2
165S32.2Very low35.2Very low112 Ų112116.6 Ų116.678%0.78378%0.777SS**  trans-148.4-151.3-165.663.90000114.7
166V38Very low35.2Very low133 Ų133121.8 Ų121.881%0.80678%0.784SS**  trans77.8152.5173.1-87.90000119.5
167P44.2Very low35.6Very low119 Ų119124.8 Ų124.877%0.77379%0.789SS**  -127.9-118.1-125.629.5-1.9000119.4
168P49.4Very low35.8Very low112 Ų112124.6 Ų124.673%0.72779%0.788SS**  -130.4163.1-10640.2-23.8000120.2
169A31.1Very low36.3Very low97 Ų97126.3 Ų126.380%0.80279%0.789SS**  trans66.9171.5152.500000119
170P39.9Very low36.7Very low114 Ų114127.7 Ų127.774%0.7480%0.796SS**  cis-127.5165.7-23.739.2-25.9000114.3
171I33.3Very low37Very low174 Ų174130 Ų13089%0.89280%0.798SS**  trans-166.5170.8141.530176.7000113.3
172T33.4Very low37Very low128 Ų128127.3 Ų127.379%0.78579%0.79SS**  trans-69.2170-173.4520000115.7
173P41.5Very low37.1Very low122 Ų122130 Ų13079%0.79279%0.791SS**  -138.3166.310441-32000115.7
174T30.8Very low36.6Very low140 Ų140128.6 Ų128.686%0.85978%0.781SS**  trans-67.8155.7157.546.50000110.9
175G31.5Very low36.7Very low72 Ų72130.5 Ų130.574%0.74278%0.777SS**  cis143.2102.2-1.300000110.8
176E33Very low36.5Very low206 Ų206133.7 Ų133.796%0.96378%0.78SS**  trans-137.3157.3-178.8-65.6-169.2127.600111.6
177D37.8Very low36.2Very low144 Ų144133.4 Ų133.477%0.7778%0.778SS**  trans-107.2124-164.1-172.3-60.1000113
178V38.2Very low35.5Very low143 Ų143136.4 Ų136.487%0.86778%0.782SS**  trans-142.9125.4154.6-173.60000109.8
179K42Very low34.4Very low175 Ų175140 Ų14076%0.76179%0.786SS**  trans-59146.8176.5-89.7175.8173.2171.10114.2
180P40.4Very low34.2Very low122 Ų122139.8 Ų139.879%0.79278%0.784SS**  trans-67.5141.9158.231.4-33.6000110.5D182P180-D182 PolarHBondContact O-N 3.33Å
181I40.8Very low33.7Very low152 Ų152138 Ų13878%0.77978%0.779SS**  trans-81.8114.5177.3-63.7169.2000108.9L183I181-L183 HydrophobicContact CG2-CD1 4.12Å; I181-L183 HydrophobicContact CG2-CG 4.03Å
182D32Very low33.5Very low121 Ų121136.5 Ų136.565%0.64778%0.779SS**  trans-82.9134.8162.3-178.329.8000109.5P180 T184P180-D182 PolarHBondContact O-N 3.33Å; D182-T184 PolarHBondContact OD1-N 3.35Å; D182-T184 VanDerWaalsContact OD2-CG2 3.26Å; D182-T184 WeakPolarHBondContact OD2-CG2 3.38Å; D182-T184 PolarHBondContact OD2-OG1 2.9Å
183L35.2Very low33.3Very low139 Ų139140 Ų14073%0.72879%0.786SS**  trans-120.754.3-179.2-96.7160.8000109.8I181 V185I181-L183 HydrophobicContact CG2-CD1 4.12Å; I181-L183 HydrophobicContact CG2-CG 4.03Å; L183-V185 PolarHBondContact O-N 2.98Å
184T33.8Very low32.6Very low100 Ų100137.6 Ų137.661%0.61378%0.783SS**  trans-65.279.6165.230.40000110.3D182 Q186D182-T184 PolarHBondContact OD1-N 3.35Å; D182-T184 VanDerWaalsContact OD2-CG2 3.26Å; D182-T184 WeakPolarHBondContact OD2-CG2 3.38Å; D182-T184 PolarHBondContact OD2-OG1 2.9Å; T184-Q186 PolarHBondContact O-N 2.86Å
185V32.4Very low32.4Very low115 Ų115136 Ų13670%0.69778%0.784SS**  trans-63104.8171.3176.10000108.8L183 V187L183-V185 PolarHBondContact O-N 2.98Å; V185-V187 PolarHBondContact O-N 2.76Å
186Q28.3Very low32.2Very low179 Ų179137.3 Ų137.384%0.83679%0.789SS**  trans-70121.1174.1-59.7179.23600108.5T184T184-Q186 PolarHBondContact O-N 2.86Å
187V31.8Very low31.9Very low127 Ų127132.2 Ų132.277%0.7778%0.782SS**  trans-88.9107.6171.4178.90000107.6V185 F189V185-V187 PolarHBondContact O-N 2.76Å; V187-F189 PolarHBondContact O-N 2.85Å
188E28.2Very low31.3Very low182 Ų182130 Ų13085%0.8578%0.784SS**  trans-67.6116.4-177.3-163.1174.2149.200110.7A190E188-A190 PolarHBondContact O-N 3.45Å
189F26.1Very low30.8Very low187 Ų187128.4 Ų128.482%0.8279%0.785SS**  trans-9375.1-171.4-157.7-88000111.1V187 A191V187-F189 PolarHBondContact O-N 2.85Å; F189-A191 HydrophobicContact CD1-CB 4.21Å; F189-A191 HydrophobicContact CE1-CB 4.23Å; F189-A191 PolarHBondContact O-N 2.9Å
190A27.5Very low30.2Very low93 Ų93124.5 Ų124.577%0.76979%0.786SS**  trans-71.285.7176.800000111.6E188E188-A190 PolarHBondContact O-N 3.45Å
191A28.8Very low29.7Very low76 Ų76123.1 Ų123.163%0.62879%0.785SS**  trans-86.9122.3169.900000110.7F189F189-A191 HydrophobicContact CD1-CB 4.21Å; F189-A191 HydrophobicContact CE1-CB 4.23Å; F189-A191 PolarHBondContact O-N 2.9Å
192T29.3Very low29.3Very low144 Ų144121.5 Ų121.588%0.88379%0.786SS**  trans-128.9122.5162.544.30000109.6
193E30.5Very low29.1Very low200 Ų200124.4 Ų124.494%0.93580%0.796SS**  trans-93.2159.8171.5-59.9-174.2120.900110.5
194G27.1Very low28.9Very low72 Ų72126.3 Ų126.374%0.74281%0.806SS**  trans123123.4142.500000118.1
195A26.6Very low28.7Very low106 Ų106129.9 Ų129.988%0.87682%0.816SS**  trans65.3160.6155.500000119.9
196A26.1Very low28.5Very low101 Ų101129.1 Ų129.184%0.83582%0.822SS**  171.3111-58.200000110.4
197A27.1Very low28.5Very low99 Ų99124.3 Ų124.382%0.81881%0.813SS**  trans-166.1139.8158.200000107.6
198A26.3Very low28.2Very low98 Ų98124.6 Ų124.681%0.8182%0.815SS**  cis112.6133.913.800000112.6
199A27.2Very low28.2Very low109 Ų109121.2 Ų121.290%0.90182%0.818SS**  trans64.5151-174.800000115.7
200A29.9Very low28.2Very low93 Ų93115.5 Ų115.577%0.76981%0.812SS**  cis-148.5149.2-12.200000106.8
201A28.1Very low28.2Very low93 Ų93118.8 Ų118.877%0.76982%0.816SS**  cis8678.842.100000115.6
202S32.4Very low28.1Very low117 Ų117123.8 Ų123.882%0.81883%0.826SS**  trans174.9134.8151-78.30000107
203E29Very low28Very low182 Ų182120.8 Ų120.885%0.8582%0.816SS**  cis66.299.236.4-65.7-159.1105.700115.9
204L30.4Very low28Very low179 Ų179116.3 Ų116.394%0.93781%0.813SS**  -158.8-179.1112.1-15055.4000110.6
205Q29.5Very low28Very low175 Ų175121.4 Ų121.482%0.81882%0.818SS**  trans-145.3148.4-151.8-162.9166-1.200113.5
206A27.8Very low28.1Very low99 Ų99121.9 Ų121.982%0.81881%0.813SS**  trans66.1173.216700000116.2
207A28.7Very low29Very low79 Ų79122 Ų12265%0.65381%0.806SS**  cis-152145.14.500000114.3
208T25.6Very low29.4Very low133 Ų133125.7 Ų125.782%0.81681%0.808SS**  trans49140.1137.557.40000124.9
209A28.8Very low29.6Very low111 Ų111124.8 Ų124.892%0.91781%0.808SS**  trans71.8149.9155.700000118.5
210G26.3Very low30.3Very low67 Ų67125.4 Ų125.469%0.69180%0.803SS**  cis164.7153.2-12.200000114.5
211L26.9Very low30.3Very low162 Ų162129.4 Ų129.485%0.84881%0.806SS**  trans65126.8165.2-62.1169.2000119.8
212E27Very low30.5Very low181 Ų181131.9 Ų131.985%0.84681%0.805SS**  trans57167.1134.8-63-146.4105.900121.7
213A27.4Very low30.5Very low81 Ų81132 Ų13267%0.66980%0.801SS**  cis-170.6142.6-39.800000108
214A29.9Very low31.1Very low106 Ų106129.6 Ų129.688%0.87680%0.798SS**  trans178.8148.2157.400000111.4
215E27.8Very low31.3Very low179 Ų179127.2 Ų127.284%0.83679%0.791SS**  trans-112.5136.1171.2-68.9175.282.600110.9
216C27.6Very low31.7Very low116 Ų116121.9 Ų121.978%0.78478%0.783SS**  trans63.9169.8140.9-68.20000120
217P45.9Very low32.4Very low104 Ų104126.3 Ų126.368%0.67579%0.787SS**  cis-136.2-178.1-33.431.7-11.1000115.4
218M34.3Very low32.8Very low175 Ų175131.7 Ų131.786%0.86280%0.798SS**  trans74.469.8141.375.1-170.7-165.800124.8
219G30.4Very low33.7Very low79 Ų79128.9 Ų128.981%0.81480%0.795SS**  trans61.4-167.2133.500000120.4
220P42.3Very low33.8Very low122 Ų122132.1 Ų132.179%0.79279%0.789SS**  cis-128.4153.4-18.939.4-25.6000114
221Q29.8Very low34.9Very low177 Ų177134 Ų13483%0.82779%0.789SS**  trans-160.4144.3153.6-165.653.14500112.2
222L32.3Very low35.7Very low145 Ų145132.8 Ų132.876%0.75978%0.784SS**  trans-94.4128174.6-175.681.6000110.6
223V32.5Very low36.7Very low120 Ų120130 Ų13073%0.72778%0.779SS**  trans-141.1131.1162.2-172.30000108.8V225V223-V225 HydrophobicContact CG1-CG2 4.02Å
224V41.9Very low37.6Very low131 Ų131128.6 Ų128.679%0.79477%0.772SS**  trans-93.4122.5170.1176.10000108.3
225V34.8Very low38.7Very low130 Ų130127.3 Ų127.379%0.78876%0.757SS**  trans-130.7136.4165.4-174.60000106.9V223V223-V225 HydrophobicContact CG1-CG2 4.02Å
226G37.2Very low39.6Very low62 Ų62126.1 Ų126.164%0.63976%0.756SS**  trans-82.7166.4-177.600000113.7
227E43.5Very low40.9Very low193 Ų193126.6 Ų126.690%0.90275%0.747SS**  trans26.4106158.5-54.7-159.8112.300118.9
228E36Very low41.8Very low192 Ų192126.7 Ų126.790%0.89775%0.75SS**  trans-132144.2130.7-86.7-5917000108.9F230E228-F230 PolarHBondContact O-N 3.48Å
229G44.5Very low43.1Very low73 Ų73127 Ų12775%0.75374%0.743SS**  trans-72.9114.4-160.300000115.1
230F30.8Very low44.6Very low179 Ų179127.5 Ų127.579%0.78573%0.733SS**  trans-82.8121.3160.1-165.6-91.2000108.9E228 D232E228-F230 PolarHBondContact O-N 3.48Å; F230-D232 PolarHBondContact O-N 2.86Å
231P50.3Low45.2Very low107 Ų107127.4 Ų127.470%0.69573%0.726SS**  trans-71.695.3174.729.2-32.5000108.5T233P231-T233 PolarHBondContact O-N 3.04Å
232D43Very low46.3Very low137 Ų137123.2 Ų123.273%0.73372%0.716SS**  trans-54.8123.6174.1-172.912.6000108.9F230 G234F230-D232 PolarHBondContact O-N 2.86Å; D232-G234 PolarHBondContact O-N 3.34Å
233T48.7Very low47.2Very low122 Ų122123 Ų12375%0.74873%0.727SS**  trans-76.179.2174.751.20000107.5P231 S235P231-T233 PolarHBondContact O-N 3.04Å; T233-S235 PolarHBondContact O-N 3.41Å
234G46.3Very low48.4Very low51 Ų51120.4 Ų120.453%0.52672%0.724SS.*  trans-57.573.3175.100000111.8D232 D236D232-G234 PolarHBondContact O-N 3.34Å; G234-D236 PolarHBondContact O-N 3.32Å
235S52.1Low49.6Very low80 Ų80116.2 Ų116.256%0.55970%0.699SS**  trans-71.883.4159.5170.30000106T233 H237T233-S235 PolarHBondContact O-N 3.41Å; S235-H237 PolarHBondContact O-N 2.93Å; S235-H237 PolarHBondContact OG-CE1 2.7Å; S235-H237 PolarHBondContact OG-ND1 2.96Å
236D47.2Very low52Low153 Ų153113.9 Ų113.982%0.81869%0.685SS**  trans-59.878.6176.1-75.6-37000110.7G234 S238G234-D236 PolarHBondContact O-N 3.32Å; D236-S238 PolarHBondContact O-N 2.92Å
237H56.3Low54.5Low126 Ų126118.2 Ų118.258%0.58369%0.689SS**  trans-61.9117.5162.5-68.4-21.5000106.4S235 Y239 S240S235-H237 PolarHBondContact O-N 2.93Å; S235-H237 PolarHBondContact OG-CE1 2.7Å; S235-H237 PolarHBondContact OG-ND1 2.96Å; H237-Y239 PolarHBondContact O-N 3.41Å; H237-S240 PolarHBondContact O-N 2.89Å; H237-S240 PolarHBondContact O-OG 3.47Å
238S62.9Low56.5Low106 Ų106115 Ų11574%0.74167%0.674SS**THydrogen-bonded Turntrans-64.217.1-171.7-154.80000115.1D236D236-S238 PolarHBondContact O-N 2.92Å
239Y61.9Low59.2Low183 Ų183110 Ų11072%0.71865%0.651SS**THydrogen-bonded Turntrans-137.62.3-173.6-42-65.3000112.2H237 L241H237-Y239 PolarHBondContact O-N 3.41Å; Y239-L241 PolarHBondContact O-N 3.33Å
240S61.4Low61.5Low88 Ų88109.8 Ų109.862%0.61563%0.631SS**  trans-66.998.8171.9-67.40000109.3H237 S242H237-S240 PolarHBondContact O-N 2.89Å; H237-S240 PolarHBondContact O-OG 3.47Å; S240-S242 PolarHBondContact O-N 3.32Å
241L56.7Low64.5Low120 Ų120105.9 Ų105.963%0.62862%0.618SS**  trans-68.199174.3-59.7178.7000108.5Y239 T245 L250Y239-L241 PolarHBondContact O-N 3.33Å; L241-T245 HydrophobicContact CB-CG2 4.41Å; L241-T245 HydrophobicContact CD2-CG2 4.15Å; L241-L250 HydrophobicContact CD1-CD2 4.27Å; L241-L250 HydrophobicContact CD2-CD2 3.87Å
242S51.5Low66.5Low89 Ų89107.5 Ų107.562%0.62261%0.611SS**  trans-60.2140.7171.348.50000109.7S240 G244 T245S240-S242 PolarHBondContact O-N 3.32Å; S242-G244 VanDerWaalsContact C-N 3.28Å; S242-G244 PolarHBondContact O-N 2.93Å; S242-T245 PolarHBondContact O-N 2.8Å
243S52.9Low69Low141 Ų141105.4 Ų105.499%0.98660%0.595SS**THydrogen-bonded Turntrans-65.182-173.7-58.30000112.2
244G56Low71.3Confident66 Ų66103.8 Ų103.868%0.6858%0.581SS**THydrogen-bonded Turntrans163.3-7.8-172.900000115.8S242 T246S242-G244 VanDerWaalsContact C-N 3.28Å; S242-G244 PolarHBondContact O-N 2.93Å; G244-T246 PolarHBondContact O-N 3.41Å
245T67.5Low73.6Confident43 Ų43105.2 Ų105.226%0.26458%0.577SS.*  trans-55.5125.6178.7560000112.4L241 S242L241-T245 HydrophobicContact CB-CG2 4.41Å; L241-T245 HydrophobicContact CD2-CG2 4.15Å; S242-T245 PolarHBondContact O-N 2.8Å
246T85.8Confident75.7Confident80 Ų80105 Ų10549%0.49157%0.567SS.*  trans-77.3157.4178.864.80000112G244 E248 E249 L250G244-T246 PolarHBondContact O-N 3.41Å; T246-E248 VanDerWaalsContact C-N 3.27Å; T246-E248 PolarHBondContact O-N 3.19Å; T246-E249 PolarHBondContact O-N 2.8Å; T246-E249 VanDerWaalsContact O-N 3.14Å; T246-E249 WeakPolarHBondContact OG1-CB 3.29Å; T246-E249 PolarHBondContact OG1-N 3.27Å; T246-L250 WeakPolarHBondContact O-CG 3.24Å; T246-L250 PolarHBondContact O-N 3.07Å
247E88.9Confident78.2Confident154 Ų154102.4 Ų102.472%0.7255%0.55SS*.Hα-helixtrans-59.7-37.5175.7-173.5176.817800112.1E249 L250 L251E247-E249 VanDerWaalsContact C-N 3.34Å; E247-E249 PolarHBondContact O-N 2.82Å; E247-L250 PolarHBondContact O-N 3.43Å; E247-L251 HydrophobicContact CG-CD1 4.29Å; E247-L251 WeakPolarHBondContact O-CG 3.32Å; E247-L251 PolarHBondContact O-N 2.99Å
248E87Confident80.1Confident125 Ų125103.9 Ų103.958%0.58455%0.55SS**Hα-helixtrans-63.1-39.5175.6-161.4-154.7119.200112T246 L251 R252T246-E248 VanDerWaalsContact C-N 3.27Å; T246-E248 PolarHBondContact O-N 3.19Å; E248-L251 PolarHBondContact O-N 3.28Å; E248-R252 WeakPolarHBondContact O-CB 3.35Å; E248-R252 PolarHBondContact O-N 2.89Å; E248-R252 IonicContact OE1-CZ 3.35Å; E248-R252 IonicContact OE1-NH2 2.67Å; E248-R252 PolarHBondContact OE1-NH2 3.34Å
249E91.4Very high81.8Confident88 Ų88103.9 Ų103.941%0.41154%0.542SS..Hα-helixtrans-68.5-39.4176.7-174.8170.3-151.300112T246 E247 R252 K253T246-E249 PolarHBondContact O-N 2.8Å; T246-E249 VanDerWaalsContact O-N 3.14Å; T246-E249 WeakPolarHBondContact OG1-CB 3.29Å; T246-E249 PolarHBondContact OG1-N 3.27Å; E247-E249 VanDerWaalsContact C-N 3.34Å; E247-E249 PolarHBondContact O-N 2.82Å; E249-R252 WeakPolarHBondContact O-CB 3.49Å; E249-R252 PolarHBondContact O-N 3.06Å; E249-K253 VanDerWaalsContact O-CG 3.32Å; E249-K253 WeakPolarHBondContact O-CG 3.27Å; E249-K253 PolarHBondContact O-N 3Å
250L92.8Very high83.5Confident67 Ų6799.7 Ų99.735%0.35153%0.531SS..Hα-helixtrans-62.5-43.7172.2-66.7173.4000111.6L241 T246 E247 R252 K253 L254L241-L250 HydrophobicContact CD1-CD2 4.27Å; L241-L250 HydrophobicContact CD2-CD2 3.87Å; T246-L250 WeakPolarHBondContact O-CG 3.24Å; T246-L250 PolarHBondContact O-N 3.07Å; E247-L250 PolarHBondContact O-N 3.43Å; L250-R252 VanDerWaalsContact C-N 3.34Å; L250-R252 PolarHBondContact O-N 2.93Å; L250-K253 PolarHBondContact O-N 2.71Å; L250-L254 VanDerWaalsContact O-CG 3.32Å; L250-L254 WeakPolarHBondContact O-CG 3.43Å; L250-L254 PolarHBondContact O-N 2.94Å
251L93.5Very high85.3Confident97 Ų97100.4 Ų100.451%0.50853%0.527SS..Hα-helixtrans-62.4-40174.8-73168.5000112E247 E248 L254 N255E247-L251 HydrophobicContact CG-CD1 4.29Å; E247-L251 WeakPolarHBondContact O-CG 3.32Å; E247-L251 PolarHBondContact O-N 2.99Å; E248-L251 PolarHBondContact O-N 3.28Å; L251-L254 PolarHBondContact O-N 3.21Å; L251-N255 PolarHBondContact O-N 2.7Å
252R93.9Very high87.3Confident142 Ų14297.2 Ų97.254%0.53652%0.518SS..Hα-helixtrans-61.4-48.1174.3-168.1-179-61.6-135.92.1111.2E248 E249 L250 L254 N255 E256E248-R252 WeakPolarHBondContact O-CB 3.35Å; E248-R252 PolarHBondContact O-N 2.89Å; E248-R252 IonicContact OE1-CZ 3.35Å; E248-R252 IonicContact OE1-NH2 2.67Å; E248-R252 PolarHBondContact OE1-NH2 3.34Å; E249-R252 WeakPolarHBondContact O-CB 3.49Å; E249-R252 PolarHBondContact O-N 3.06Å; L250-R252 VanDerWaalsContact C-N 3.34Å; L250-R252 PolarHBondContact O-N 2.93Å; R252-L254 VanDerWaalsContact C-N 3.35Å; R252-L254 PolarHBondContact O-N 3.12Å; R252-N255 PolarHBondContact O-N 3.27Å; R252-N255 VanDerWaalsContact O-N 3.17Å; R252-E256 WeakPolarHBondContact O-CG 3.24Å; R252-E256 PolarHBondContact O-N 2.94Å
253K94.7Very high89.5Confident93 Ų9398.9 Ų98.940%0.40452%0.52SS..Hα-helixtrans-63.6-35.9176.7-67.8-70.2158.9-143.50113.1E249 L250 E256 Q257E249-K253 VanDerWaalsContact O-CG 3.32Å; E249-K253 WeakPolarHBondContact O-CG 3.27Å; E249-K253 PolarHBondContact O-N 3Å; L250-K253 PolarHBondContact O-N 2.71Å; K253-E256 WeakPolarHBondContact CD-OE2 3.07Å; K253-E256 IonicContact NZ-OE1 3.71Å; K253-E256 PolarHBondContact NZ-OE1 3.43Å; K253-E256 IonicContact NZ-OE2 2.7Å; K253-E256 PolarHBondContact NZ-OE2 2.9Å; K253-E256 PolarHBondContact O-N 2.93Å; K253-Q257 WeakPolarHBondContact O-CG 3.45Å; K253-Q257 PolarHBondContact O-N 3.3Å
254L95.8Very high91.7Very high87 Ų8797.4 Ų97.446%0.45550%0.498SS..Hα-helixtrans-67.5-34.4173.9-73170.4000112.6L250 L251 R252 R258L250-L254 VanDerWaalsContact O-CG 3.32Å; L250-L254 WeakPolarHBondContact O-CG 3.43Å; L250-L254 PolarHBondContact O-N 2.94Å; L251-L254 PolarHBondContact O-N 3.21Å; R252-L254 VanDerWaalsContact C-N 3.35Å; R252-L254 PolarHBondContact O-N 3.12Å; L254-R258 VanDerWaalsContact O-CG 3.3Å; L254-R258 WeakPolarHBondContact O-CG 3.28Å; L254-R258 PolarHBondContact O-N 3.45Å; L254-R258 VanDerWaalsContact O-N 3.12Å
255N95.4Very high93.7Very high81 Ų81101 Ų10143%0.43350%0.498SS..Hα-helixtrans-72.7-43.2172.7-80.1-0.5000112.3L251 R252 Q257 R258 D259L251-N255 PolarHBondContact O-N 2.7Å; R252-N255 PolarHBondContact O-N 3.27Å; R252-N255 VanDerWaalsContact O-N 3.17Å; N255-Q257 PolarHBondContact O-N 2.98Å; N255-R258 WeakPolarHBondContact O-CB 3.36Å; N255-R258 PolarHBondContact O-N 2.91Å; N255-R258 PolarHBondContact OD1-NH1 3.04Å; N255-D259 PolarHBondContact O-N 3.3Å
256E96.9Very high95.2Very high75 Ų75103.8 Ų103.835%0.3551%0.514SS..Hα-helixtrans-53.2-43.1171.2-70.8171.5-147.800111.5R252 K253 D259 I260R252-E256 WeakPolarHBondContact O-CG 3.24Å; R252-E256 PolarHBondContact O-N 2.94Å; K253-E256 WeakPolarHBondContact CD-OE2 3.07Å; K253-E256 IonicContact NZ-OE1 3.71Å; K253-E256 PolarHBondContact NZ-OE1 3.43Å; K253-E256 IonicContact NZ-OE2 2.7Å; K253-E256 PolarHBondContact NZ-OE2 2.9Å; K253-E256 PolarHBondContact O-N 2.93Å; E256-D259 PolarHBondContact O-N 3.04Å; E256-I260 WeakPolarHBondContact O-CD1 3.25Å; E256-I260 VanDerWaalsContact O-CG1 3.25Å; E256-I260 WeakPolarHBondContact O-CG1 3.48Å; E256-I260 PolarHBondContact O-N 3.06Å
257Q98.2Very high95.8Very high99 Ų99106.3 Ų106.346%0.46352%0.518SS..Hα-helixtrans-65.8-37.1175.7-74.7-178.65.300113.3K253 N255 L261K253-Q257 WeakPolarHBondContact O-CG 3.45Å; K253-Q257 PolarHBondContact O-N 3.3Å; N255-Q257 PolarHBondContact O-N 2.98Å; Q257-L261 WeakPolarHBondContact O-CB 3.29Å; Q257-L261 VanDerWaalsContact O-CG 3.26Å; Q257-L261 WeakPolarHBondContact O-CG 3.38Å; Q257-L261 PolarHBondContact O-N 3.28Å
258R98.1Very high96.2Very high158 Ų158103.6 Ų103.660%0.59651%0.507SS*.Hα-helixtrans-63.7-42.6174.5-74163174.5164.7-3.4111.6L254 N255 L261 A262L254-R258 VanDerWaalsContact O-CG 3.3Å; L254-R258 WeakPolarHBondContact O-CG 3.28Å; L254-R258 PolarHBondContact O-N 3.45Å; L254-R258 VanDerWaalsContact O-N 3.12Å; N255-R258 WeakPolarHBondContact O-CB 3.36Å; N255-R258 PolarHBondContact O-N 2.91Å; N255-R258 PolarHBondContact OD1-NH1 3.04Å; R258-L261 PolarHBondContact O-N 3.4Å; R258-A262 PolarHBondContact O-N 2.77Å
259D98.1Very high96.8Very high105 Ų105105.1 Ų105.156%0.56151%0.511SS*.Hα-helixtrans-67.5-41.6179.2-66.6-22.4000111.5N255 E256 L261 A262 L263N255-D259 PolarHBondContact O-N 3.3Å; E256-D259 PolarHBondContact O-N 3.04Å; D259-L261 VanDerWaalsContact C-N 3.34Å; D259-L261 PolarHBondContact O-N 3.11Å; D259-A262 PolarHBondContact O-N 2.99Å; D259-L263 WeakPolarHBondContact O-CB 3.41Å; D259-L263 WeakPolarHBondContact O-CG 3.46Å; D259-L263 PolarHBondContact O-N 2.86Å
260I98.1Very high97.1Very high96 Ų96107 Ų10749%0.49252%0.52SS..Hα-helixtrans-59.5-43.9172.5-70164.2000111E256 L263 M264E256-I260 WeakPolarHBondContact O-CD1 3.25Å; E256-I260 VanDerWaalsContact O-CG1 3.25Å; E256-I260 WeakPolarHBondContact O-CG1 3.48Å; E256-I260 PolarHBondContact O-N 3.06Å; I260-L263 PolarHBondContact O-N 2.84Å; I260-M264 HydrophobicContact CG2-SD 4.29Å; I260-M264 WeakPolarHBondContact O-CG 3.2Å; I260-M264 PolarHBondContact O-N 2.94Å
261L98.1Very high97.4Very high103 Ų103108.8 Ų108.854%0.53953%0.528SS..Hα-helixtrans-63.4-44.4176.5-74.6168.4000111.8Q257 R258 D259 L263 M264 E265Q257-L261 WeakPolarHBondContact O-CB 3.29Å; Q257-L261 VanDerWaalsContact O-CG 3.26Å; Q257-L261 WeakPolarHBondContact O-CG 3.38Å; Q257-L261 PolarHBondContact O-N 3.28Å; R258-L261 PolarHBondContact O-N 3.4Å; D259-L261 VanDerWaalsContact C-N 3.34Å; D259-L261 PolarHBondContact O-N 3.11Å; L261-L263 PolarHBondContact O-N 2.69Å; L261-M264 PolarHBondContact O-N 3.27Å; L261-E265 WeakPolarHBondContact O-CG 3.46Å; L261-E265 PolarHBondContact O-N 3.01Å
262A98.5Very high97.6Very high52 Ų52109.5 Ų109.543%0.4353%0.527SS..Hα-helixtrans-60.7-43.5176.700000112.2R258 D259 M264 E265 V266R258-A262 PolarHBondContact O-N 2.77Å; D259-A262 PolarHBondContact O-N 2.99Å; A262-M264 PolarHBondContact O-N 3.42Å; A262-E265 PolarHBondContact O-N 3.3Å; A262-V266 WeakPolarHBondContact O-CG2 3.25Å; A262-V266 PolarHBondContact O-N 3.26Å
263L98.6Very high97.9Very high125 Ų125103.9 Ų103.965%0.65451%0.513SS*.Hα-helixtrans-59.9-43.4173-80.2160.6000112D259 I260 L261 K267D259-L263 WeakPolarHBondContact O-CB 3.41Å; D259-L263 WeakPolarHBondContact O-CG 3.46Å; D259-L263 PolarHBondContact O-N 2.86Å; I260-L263 PolarHBondContact O-N 2.84Å; L261-L263 PolarHBondContact O-N 2.69Å; L263-K267 WeakPolarHBondContact O-CB 3.29Å; L263-K267 PolarHBondContact O-N 2.82Å
264M98.2Very high98Very high110 Ų110102.1 Ų102.154%0.54251%0.512SS..Hα-helixtrans-64.6-39.8175.6-74.2-176.267.900112.3I260 L261 A262 K267 M268I260-M264 HydrophobicContact CG2-SD 4.29Å; I260-M264 WeakPolarHBondContact O-CG 3.2Å; I260-M264 PolarHBondContact O-N 2.94Å; L261-M264 PolarHBondContact O-N 3.27Å; A262-M264 PolarHBondContact O-N 3.42Å; M264-K267 PolarHBondContact O-N 2.87Å; M264-M268 VanDerWaalsContact O-CB 3.31Å; M264-M268 WeakPolarHBondContact O-CB 3.43Å; M264-M268 VanDerWaalsContact O-CG 3.27Å; M264-M268 WeakPolarHBondContact O-CG 3.43Å; M264-M268 PolarHBondContact O-N 3.17Å
265E98.3Very high98.2Very high142 Ų142101.9 Ų101.966%0.66451%0.511SS*.Hα-helixtrans-64.3-44.8177.1-76.4-168.4-176.400112.5L261 A262 M268 K269L261-E265 WeakPolarHBondContact O-CG 3.46Å; L261-E265 PolarHBondContact O-N 3.01Å; A262-E265 PolarHBondContact O-N 3.3Å; E265-M268 PolarHBondContact O-N 3.35Å; E265-K269 WeakPolarHBondContact O-CB 3.49Å; E265-K269 PolarHBondContact O-N 3.04Å
266V98.8Very high98.3Very high100 Ų100105.3 Ų105.361%0.60652%0.518SS*.Hα-helixtrans-59.9-49.4175.2172.30000110.3A262 M268 K269 E270A262-V266 WeakPolarHBondContact O-CG2 3.25Å; A262-V266 PolarHBondContact O-N 3.26Å; V266-M268 VanDerWaalsContact C-N 3.34Å; V266-M268 PolarHBondContact O-N 2.87Å; V266-K269 WeakPolarHBondContact O-CA 3.34Å; V266-K269 WeakPolarHBondContact O-CB 3.4Å; V266-K269 PolarHBondContact O-N 2.68Å; V266-E270 PolarHBondContact O-N 2.92Å
267K98.4Very high98.4Very high133 Ų133107.8 Ų107.858%0.57853%0.529SS*.Hα-helixtrans-62.6-38.8178-167.9166.2-172.1166.90112.4L263 M264 K269 E270 M271L263-K267 WeakPolarHBondContact O-CB 3.29Å; L263-K267 PolarHBondContact O-N 2.82Å; M264-K267 PolarHBondContact O-N 2.87Å; K267-K269 VanDerWaalsContact C-N 3.33Å; K267-K269 PolarHBondContact O-N 2.96Å; K267-E270 PolarHBondContact O-N 3.38Å; K267-M271 HydrophobicContact CG-SD 4.44Å; K267-M271 WeakPolarHBondContact O-CB 3.48Å; K267-M271 VanDerWaalsContact O-CG 3.27Å; K267-M271 WeakPolarHBondContact O-CG 3.44Å; K267-M271 PolarHBondContact O-N 3.33Å
268M98.4Very high98.4Very high97 Ų97108.5 Ų108.548%0.47854%0.535SS..Hα-helixtrans-65.9-33.8172.5-77.6-177.671.200112.5M264 E265 V266 K272M264-M268 VanDerWaalsContact O-CB 3.31Å; M264-M268 WeakPolarHBondContact O-CB 3.43Å; M264-M268 VanDerWaalsContact O-CG 3.27Å; M264-M268 WeakPolarHBondContact O-CG 3.43Å; M264-M268 PolarHBondContact O-N 3.17Å; E265-M268 PolarHBondContact O-N 3.35Å; V266-M268 VanDerWaalsContact C-N 3.34Å; V266-M268 PolarHBondContact O-N 2.87Å; M268-K272 VanDerWaalsContact O-CB 3.29Å; M268-K272 WeakPolarHBondContact O-CB 3.32Å; M268-K272 VanDerWaalsContact O-CD 3.24Å; M268-K272 WeakPolarHBondContact O-CD 3.44Å; M268-K272 WeakPolarHBondContact O-CG 3.44Å; M268-K272 PolarHBondContact O-N 3.16Å
269K98.6Very high98.5Very high158 Ų158109 Ų10969%0.68754%0.537SS*.Hα-helixtrans-69.5-41.1176.6-169.2177-179.5-179.60111.3E265 V266 K267 G273E265-K269 WeakPolarHBondContact O-CB 3.49Å; E265-K269 PolarHBondContact O-N 3.04Å; V266-K269 WeakPolarHBondContact O-CA 3.34Å; V266-K269 WeakPolarHBondContact O-CB 3.4Å; V266-K269 PolarHBondContact O-N 2.68Å; K267-K269 VanDerWaalsContact C-N 3.33Å; K267-K269 PolarHBondContact O-N 2.96Å; K269-G273 PolarHBondContact O-N 3.26Å; K269-G273 VanDerWaalsContact O-N 3.07Å
270E98.3Very high98.5Very high126 Ų126110.1 Ų110.159%0.58954%0.542SS*.Hα-helixtrans-61-54.8171.3-170-156148.700111.3V266 K267 K272 G273 S274V266-E270 PolarHBondContact O-N 2.92Å; K267-E270 PolarHBondContact O-N 3.38Å; E270-K272 VanDerWaalsContact C-N 3.29Å; E270-K272 PolarHBondContact O-N 3.43Å; E270-G273 CarbonylContact O-C 3.56Å; E270-G273 WeakPolarHBondContact O-CA 3.4Å; E270-G273 PolarHBondContact O-N 3.45Å; E270-S274 PolarHBondContact O-N 3.4Å; E270-S274 PolarHBondContact O-OG 2.88Å
271M98.6Very high98.5Very high106 Ų106108 Ų10852%0.52253%0.534SS..Hα-helixtrans-57.7-39.1177.5-71.3177.77400112.5K267 G273 S274 I275K267-M271 HydrophobicContact CG-SD 4.44Å; K267-M271 WeakPolarHBondContact O-CB 3.48Å; K267-M271 VanDerWaalsContact O-CG 3.27Å; K267-M271 WeakPolarHBondContact O-CG 3.44Å; K267-M271 PolarHBondContact O-N 3.33Å; M271-G273 VanDerWaalsContact C-N 3.26Å; M271-G273 PolarHBondContact O-N 2.94Å; M271-S274 PolarHBondContact O-N 2.88Å; M271-I275 WeakPolarHBondContact O-CB 3.35Å; M271-I275 WeakPolarHBondContact O-CD1 3.25Å; M271-I275 VanDerWaalsContact O-CG1 3.25Å; M271-I275 WeakPolarHBondContact O-CG1 3.33Å; M271-I275 PolarHBondContact O-N 3.37Å
272K98.5Very high98.5Very high112 Ų112107 Ų10749%0.48753%0.526SS..Hα-helixtrans-62.7-32171.7-74.6162.8-169.9169.20111.9M268 E270 R276M268-K272 VanDerWaalsContact O-CB 3.29Å; M268-K272 WeakPolarHBondContact O-CB 3.32Å; M268-K272 VanDerWaalsContact O-CD 3.24Å; M268-K272 WeakPolarHBondContact O-CD 3.44Å; M268-K272 WeakPolarHBondContact O-CG 3.44Å; M268-K272 PolarHBondContact O-N 3.16Å; E270-K272 VanDerWaalsContact C-N 3.29Å; E270-K272 PolarHBondContact O-N 3.43Å; K272-R276 WeakPolarHBondContact O-CG 3.28Å; K272-R276 PolarHBondContact O-N 3.1Å; K272-R276 PolarHBondContact O-NH1 2.94Å
273G98.5Very high98.5Very high23 Ų23107 Ų10724%0.23753%0.527CS..Hα-helixtrans-64.2-55.3169.900000112K269 E270 M271 I275 R276 H277K269-G273 PolarHBondContact O-N 3.26Å; K269-G273 VanDerWaalsContact O-N 3.07Å; E270-G273 CarbonylContact O-C 3.56Å; E270-G273 WeakPolarHBondContact O-CA 3.4Å; E270-G273 PolarHBondContact O-N 3.45Å; M271-G273 VanDerWaalsContact C-N 3.26Å; M271-G273 PolarHBondContact O-N 2.94Å; G273-I275 VanDerWaalsContact C-N 3.31Å; G273-I275 PolarHBondContact O-N 2.88Å; G273-R276 WeakPolarHBondContact O-CA 3.39Å; G273-R276 WeakPolarHBondContact O-CB 3.22Å; G273-R276 PolarHBondContact O-N 3.32Å; G273-H277 PolarHBondContact O-N 2.95Å
274S98.6Very high98.5Very high56 Ų56107.4 Ų107.439%0.39252%0.523SS..Hα-helixtrans-58.5-39.8179.6-52.90000112.5E270 M271 R276 H277 L278E270-S274 PolarHBondContact O-N 3.4Å; E270-S274 PolarHBondContact O-OG 2.88Å; M271-S274 PolarHBondContact O-N 2.88Å; S274-R276 PolarHBondContact O-N 3.18Å; S274-H277 PolarHBondContact O-N 3.45Å; S274-L278 WeakPolarHBondContact O-CB 3.36Å; S274-L278 VanDerWaalsContact O-CG 3.28Å; S274-L278 WeakPolarHBondContact O-CG 3.46Å; S274-L278 PolarHBondContact O-N 3.47Å
275I98.6Very high98.6Very high83 Ų83106.8 Ų106.843%0.42652%0.522SS..Hα-helixtrans-64.4-36.5174.4-68.7164.4000112.1M271 G273 R279M271-I275 WeakPolarHBondContact O-CB 3.35Å; M271-I275 WeakPolarHBondContact O-CD1 3.25Å; M271-I275 VanDerWaalsContact O-CG1 3.25Å; M271-I275 WeakPolarHBondContact O-CG1 3.33Å; M271-I275 PolarHBondContact O-N 3.37Å; G273-I275 VanDerWaalsContact C-N 3.31Å; G273-I275 PolarHBondContact O-N 2.88Å; I275-R279 WeakPolarHBondContact O-CG 3.49Å; I275-R279 PolarHBondContact O-N 2.88Å
276R98.6Very high98.5Very high153 Ų153106.9 Ų106.958%0.57752%0.516SS*.Hα-helixtrans-68-46173.5-73.9-174.1-56.1-92.73.5111.1K272 G273 S274 R279 L280K272-R276 WeakPolarHBondContact O-CG 3.28Å; K272-R276 PolarHBondContact O-N 3.1Å; K272-R276 PolarHBondContact O-NH1 2.94Å; G273-R276 WeakPolarHBondContact O-CA 3.39Å; G273-R276 WeakPolarHBondContact O-CB 3.22Å; G273-R276 PolarHBondContact O-N 3.32Å; S274-R276 PolarHBondContact O-N 3.18Å; R276-R279 PolarHBondContact O-N 3.34Å; R276-L280 WeakPolarHBondContact O-CG 3.35Å; R276-L280 PolarHBondContact O-N 2.92Å; R276-L280 VanDerWaalsContact O-N 3.12Å
277H98.6Very high98.5Very high127 Ų127107.6 Ų107.659%0.58851%0.513SS*.Hα-helixtrans-57.5-54.2177.8179.8-97.5000111.2G273 S274 R279 L280 T281G273-H277 PolarHBondContact O-N 2.95Å; S274-H277 PolarHBondContact O-N 3.45Å; H277-R279 VanDerWaalsContact C-N 3.27Å; H277-R279 PolarHBondContact O-N 3.3Å; H277-L280 WeakPolarHBondContact O-CB 3.45Å; H277-L280 PolarHBondContact O-N 2.89Å; H277-T281 PolarHBondContact O-N 3.04Å; H277-T281 PolarHBondContact O-OG1 3.43Å; H277-T281 VanDerWaalsContact O-OG1 3.06Å
278L98.8Very high98.5Very high114 Ų114104.3 Ų104.360%0.59750%0.499SS*.Hα-helixtrans-56.1-37.9179.8-72169.2000112.9S274 T281 E282S274-L278 WeakPolarHBondContact O-CB 3.36Å; S274-L278 VanDerWaalsContact O-CG 3.28Å; S274-L278 WeakPolarHBondContact O-CG 3.46Å; S274-L278 PolarHBondContact O-N 3.47Å; L278-T281 PolarHBondContact O-N 2.98Å; L278-E282 VanDerWaalsContact O-CB 3.25Å; L278-E282 WeakPolarHBondContact O-CB 3.35Å; L278-E282 PolarHBondContact O-N 3.41Å
279R98.4Very high98.5Very high169 Ų169104.4 Ų104.464%0.63850%0.501SS*.Hα-helixtrans-69.9-33.7176-76177177.4-177.31.3113.6I275 R276 H277 A283I275-R279 WeakPolarHBondContact O-CG 3.49Å; I275-R279 PolarHBondContact O-N 2.88Å; R276-R279 PolarHBondContact O-N 3.34Å; H277-R279 VanDerWaalsContact C-N 3.27Å; H277-R279 PolarHBondContact O-N 3.3Å; R279-A283 WeakPolarHBondContact O-CB 3.35Å; R279-A283 PolarHBondContact O-N 3.5Å
280L98.8Very high98.5Very high127 Ų127103.4 Ų103.467%0.66549%0.493SS*.Hα-helixtrans-69.3-41.7173-67.6169.9000110.6R276 H277 A283 K284R276-L280 WeakPolarHBondContact O-CG 3.35Å; R276-L280 PolarHBondContact O-N 2.92Å; R276-L280 VanDerWaalsContact O-N 3.12Å; H277-L280 WeakPolarHBondContact O-CB 3.45Å; H277-L280 PolarHBondContact O-N 2.89Å; L280-A283 PolarHBondContact O-N 3.34Å; L280-K284 PolarHBondContact O-N 3.42Å
281T98.6Very high98.5Very high52 Ų52101.4 Ų101.432%0.31948%0.484SS..Hα-helixtrans-62-45.9173-42.90000111.6H277 L278 A283 K284 L285H277-T281 PolarHBondContact O-N 3.04Å; H277-T281 PolarHBondContact O-OG1 3.43Å; H277-T281 VanDerWaalsContact O-OG1 3.06Å; L278-T281 PolarHBondContact O-N 2.98Å; T281-A283 PolarHBondContact O-N 2.99Å; T281-K284 PolarHBondContact O-N 3.01Å; T281-L285 HydrophobicContact CG2-CD1 4.02Å; T281-L285 HydrophobicContact CG2-CG 4.43Å; T281-L285 WeakPolarHBondContact O-CB 3.27Å; T281-L285 VanDerWaalsContact O-CG 3.32Å; T281-L285 WeakPolarHBondContact O-CG 3.48Å; T281-L285 PolarHBondContact O-N 3.38Å
282E98.5Very high98.5Very high81 Ų81101.9 Ų101.938%0.37948%0.483SS..Hα-helixtrans-58.3-44.2176.1-176-170-177.700111.7L278 R286L278-E282 VanDerWaalsContact O-CB 3.25Å; L278-E282 WeakPolarHBondContact O-CB 3.35Å; L278-E282 PolarHBondContact O-N 3.41Å; E282-R286 VanDerWaalsContact CD-NH1 3.28Å; E282-R286 WeakPolarHBondContact O-CB 3.37Å; E282-R286 WeakPolarHBondContact O-CG 3.26Å; E282-R286 PolarHBondContact O-N 3.3Å; E282-R286 IonicContact OE1-CZ 2.69Å; E282-R286 IonicContact OE1-NH1 2.68Å; E282-R286 PolarHBondContact OE1-NH1 3Å; E282-R286 IonicContact OE1-NH2 3.2Å; E282-R286 PolarHBondContact OE1-NH2 3.13Å
283A98.5Very high98.5Very high54 Ų54100.7 Ų100.745%0.44648%0.482SS..Hα-helixtrans-64.2-46176.700000112.1R279 L280 T281 R286 E287R279-A283 WeakPolarHBondContact O-CB 3.35Å; R279-A283 PolarHBondContact O-N 3.5Å; L280-A283 PolarHBondContact O-N 3.34Å; T281-A283 PolarHBondContact O-N 2.99Å; A283-R286 PolarHBondContact O-N 2.96Å; A283-E287 PolarHBondContact O-N 3.48Å; A283-E287 VanDerWaalsContact O-N 3.11Å
284K98.6Very high98.5Very high132 Ų132106.8 Ų106.857%0.57450%0.498SS*.Hα-helixtrans-61.4-47177.2-169.5-174.3-173.9-106.60111.7L280 T281 R286 E287 E288L280-K284 PolarHBondContact O-N 3.42Å; T281-K284 PolarHBondContact O-N 3.01Å; K284-R286 VanDerWaalsContact C-N 3.3Å; K284-R286 PolarHBondContact O-N 3.3Å; K284-E287 WeakPolarHBondContact O-CA 3.39Å; K284-E287 WeakPolarHBondContact O-CB 3.41Å; K284-E287 PolarHBondContact O-N 3.11Å; K284-E288 WeakPolarHBondContact CE-OE1 3.42Å; K284-E288 IonicContact NZ-OE1 2.98Å; K284-E288 PolarHBondContact NZ-OE1 2.93Å; K284-E288 PolarHBondContact O-N 3.11Å
285L98.6Very high98.5Very high98 Ų98108.8 Ų108.851%0.51350%0.504SS..Hα-helixtrans-63.4-35.1178.3-70.1172.7000112.1T281 E287 L289T281-L285 HydrophobicContact CG2-CD1 4.02Å; T281-L285 HydrophobicContact CG2-CG 4.43Å; T281-L285 WeakPolarHBondContact O-CB 3.27Å; T281-L285 VanDerWaalsContact O-CG 3.32Å; T281-L285 WeakPolarHBondContact O-CG 3.48Å; T281-L285 PolarHBondContact O-N 3.38Å; L285-E287 VanDerWaalsContact C-N 3.27Å; L285-E287 PolarHBondContact O-N 3.17Å; L285-L289 VanDerWaalsContact O-CB 3.29Å; L285-L289 WeakPolarHBondContact O-CB 3.45Å; L285-L289 PolarHBondContact O-N 2.95Å
286R98.2Very high98.4Very high144 Ų144110 Ų11054%0.54351%0.51SS..Hα-helixtrans-69.6-18.6170.7-78-168.8-178.2116.613.4114.3E282 A283 K284 R290E282-R286 VanDerWaalsContact CD-NH1 3.28Å; E282-R286 WeakPolarHBondContact O-CB 3.37Å; E282-R286 WeakPolarHBondContact O-CG 3.26Å; E282-R286 PolarHBondContact O-N 3.3Å; E282-R286 IonicContact OE1-CZ 2.69Å; E282-R286 IonicContact OE1-NH1 2.68Å; E282-R286 PolarHBondContact OE1-NH1 3Å; E282-R286 IonicContact OE1-NH2 3.2Å; E282-R286 PolarHBondContact OE1-NH2 3.13Å; A283-R286 PolarHBondContact O-N 2.96Å; K284-R286 VanDerWaalsContact C-N 3.3Å; K284-R286 PolarHBondContact O-N 3.3Å; R286-R290 WeakPolarHBondContact O-CG 3.39Å; R286-R290 PolarHBondContact O-NE 3.47Å
287E98.4Very high98.3Very high114 Ų114104.8 Ų104.853%0.53350%0.5SS..Hα-helixtrans-83.4-48.1171.8-165.2124-100.400111.2A283 K284 L285 L289 R290 E291A283-E287 PolarHBondContact O-N 3.48Å; A283-E287 VanDerWaalsContact O-N 3.11Å; K284-E287 WeakPolarHBondContact O-CA 3.39Å; K284-E287 WeakPolarHBondContact O-CB 3.41Å; K284-E287 PolarHBondContact O-N 3.11Å; L285-E287 VanDerWaalsContact C-N 3.27Å; L285-E287 PolarHBondContact O-N 3.17Å; E287-L289 VanDerWaalsContact C-N 3.25Å; E287-L289 PolarHBondContact O-N 3.41Å; E287-R290 VanDerWaalsContact CA-NH2 3.31Å; E287-R290 VanDerWaalsContact CD-NH2 3.3Å; E287-R290 PolarHBondContact O-N 3Å; E287-R290 VanDerWaalsContact O-N 3.16Å; E287-R290 IonicContact OE1-CZ 3.73Å; E287-R290 IonicContact OE1-NH1 2.7Å; E287-R290 PolarHBondContact OE1-NH1 3.33Å; E287-R290 IonicContact OE1-NH2 2.68Å; E287-R290 PolarHBondContact OE1-NH2 2.74Å; E287-E291 PolarHBondContact O-N 3.11Å
288E98.4Very high98.2Very high64 Ų64103.1 Ų103.130%0.29949%0.494SS..Hα-helixtrans-58.2-37.2174.1-68.3-178.5-155.800112.3K284 K292K284-E288 WeakPolarHBondContact CE-OE1 3.42Å; K284-E288 IonicContact NZ-OE1 2.98Å; K284-E288 PolarHBondContact NZ-OE1 2.93Å; K284-E288 PolarHBondContact O-N 3.11Å; E288-K292 WeakPolarHBondContact O-CB 3.22Å; E288-K292 WeakPolarHBondContact O-CD 3.37Å; E288-K292 WeakPolarHBondContact O-CG 3.49Å; E288-K292 PolarHBondContact O-N 3.14Å; E288-K292 IonicContact OE2-NZ 3.2Å
289L98.5Very high98.1Very high99 Ų9999.7 Ų99.752%0.51848%0.482SS..Hα-helixtrans-65.3-48.2174.8-172.266.2000111.6L285 E287 E291 K292 D293L285-L289 VanDerWaalsContact O-CB 3.29Å; L285-L289 WeakPolarHBondContact O-CB 3.45Å; L285-L289 PolarHBondContact O-N 2.95Å; E287-L289 VanDerWaalsContact C-N 3.25Å; E287-L289 PolarHBondContact O-N 3.41Å; L289-E291 VanDerWaalsContact C-N 3.32Å; L289-E291 PolarHBondContact O-N 3.39Å; L289-K292 PolarHBondContact O-N 3.39Å; L289-K292 VanDerWaalsContact O-N 3.17Å; L289-D293 VanDerWaalsContact O-CG 3.25Å; L289-D293 PolarHBondContact O-N 3.05Å
290R98.4Very high98Very high138 Ų13896.5 Ų96.552%0.52148%0.481SS..Hα-helixtrans-58.5-41.1178.2-81.3179.2-72.6131-6.6112.7R286 E287 R294R286-R290 WeakPolarHBondContact O-CG 3.39Å; R286-R290 PolarHBondContact O-NE 3.47Å; E287-R290 VanDerWaalsContact CA-NH2 3.31Å; E287-R290 VanDerWaalsContact CD-NH2 3.3Å; E287-R290 PolarHBondContact O-N 3Å; E287-R290 VanDerWaalsContact O-N 3.16Å; E287-R290 IonicContact OE1-CZ 3.73Å; E287-R290 IonicContact OE1-NH1 2.7Å; E287-R290 PolarHBondContact OE1-NH1 3.33Å; E287-R290 IonicContact OE1-NH2 2.68Å; E287-R290 PolarHBondContact OE1-NH2 2.74Å; R290-R294 WeakPolarHBondContact O-CB 3.48Å; R290-R294 PolarHBondContact O-N 3.37Å
291E98.5Very high97.9Very high84 Ų8494.2 Ų94.239%0.39347%0.469SS..Hα-helixtrans-74.8-34178.2-168.258.8-15300111.6E287 L289 R294 L295E287-E291 PolarHBondContact O-N 3.11Å; L289-E291 VanDerWaalsContact C-N 3.32Å; L289-E291 PolarHBondContact O-N 3.39Å; E291-R294 WeakPolarHBondContact O-CB 3.35Å; E291-R294 PolarHBondContact O-N 3.25Å; E291-R294 IonicContact OE1-NH1 3.33Å; E291-R294 PolarHBondContact OE1-NH1 3.19Å; E291-R294 WeakPolarHBondContact OE2-CD 3.41Å; E291-R294 IonicContact OE2-CZ 2.88Å; E291-R294 IonicContact OE2-NH1 3.93Å; E291-R294 PolarHBondContact OE2-NH1 3.29Å; E291-L295 HydrophobicContact CG-CD1 4.42Å; E291-L295 WeakPolarHBondContact O-CB 3.45Å; E291-L295 VanDerWaalsContact O-CG 3.27Å; E291-L295 WeakPolarHBondContact O-CG 3.45Å; E291-L295 PolarHBondContact O-N 3.11Å
292K98.6Very high97.7Very high116 Ų11697.9 Ų97.950%0.50448%0.477SS..Hα-helixtrans-62.8-44.5170.2-76165.2-176.7161.50111.9E288 L289 R294 L295 L296E288-K292 WeakPolarHBondContact O-CB 3.22Å; E288-K292 WeakPolarHBondContact O-CD 3.37Å; E288-K292 WeakPolarHBondContact O-CG 3.49Å; E288-K292 PolarHBondContact O-N 3.14Å; E288-K292 IonicContact OE2-NZ 3.2Å; L289-K292 PolarHBondContact O-N 3.39Å; L289-K292 VanDerWaalsContact O-N 3.17Å; K292-R294 VanDerWaalsContact C-N 3.31Å; K292-R294 PolarHBondContact O-N 3.42Å; K292-L295 PolarHBondContact O-N 3.12Å; K292-L296 WeakPolarHBondContact O-CB 3.48Å; K292-L296 VanDerWaalsContact O-CG 3.28Å; K292-L296 WeakPolarHBondContact O-CG 3.49Å; K292-L296 PolarHBondContact O-N 3.37Å
293D98.1Very high97.6Very high87 Ų87102.6 Ų102.647%0.46550%0.496SS..Hα-helixtrans-59.8-41.6175-68-26.9000111.4L289 L296 A297L289-D293 VanDerWaalsContact O-CG 3.25Å; L289-D293 PolarHBondContact O-N 3.05Å; D293-L296 PolarHBondContact O-N 3.4Å; D293-A297 WeakPolarHBondContact O-CB 3.47Å; D293-A297 PolarHBondContact O-N 3.36Å
294R98.1Very high97.4Very high151 Ų151108.1 Ų108.157%0.5751%0.51SS*.Hα-helixtrans-63.3-47174.9-172.6-169.6-175.9-166.90.5112.1R290 E291 K292 L296 A297 M298R290-R294 WeakPolarHBondContact O-CB 3.48Å; R290-R294 PolarHBondContact O-N 3.37Å; E291-R294 WeakPolarHBondContact O-CB 3.35Å; E291-R294 PolarHBondContact O-N 3.25Å; E291-R294 IonicContact OE1-NH1 3.33Å; E291-R294 PolarHBondContact OE1-NH1 3.19Å; E291-R294 WeakPolarHBondContact OE2-CD 3.41Å; E291-R294 IonicContact OE2-CZ 2.88Å; E291-R294 IonicContact OE2-NH1 3.93Å; E291-R294 PolarHBondContact OE2-NH1 3.29Å; K292-R294 VanDerWaalsContact C-N 3.31Å; K292-R294 PolarHBondContact O-N 3.42Å; R294-L296 VanDerWaalsContact C-N 3.35Å; R294-A297 PolarHBondContact O-N 3.1Å; R294-M298 WeakPolarHBondContact O-CG 3.46Å; R294-M298 PolarHBondContact O-N 3.4Å
295L97.8Very high97.2Very high97 Ų97107.5 Ų107.551%0.50851%0.509SS..Hα-helixtrans-63.2-40.3177.4-72.2169.2000111.8E291 K292 M298 A299E291-L295 HydrophobicContact CG-CD1 4.42Å; E291-L295 WeakPolarHBondContact O-CB 3.45Å; E291-L295 VanDerWaalsContact O-CG 3.27Å; E291-L295 WeakPolarHBondContact O-CG 3.45Å; E291-L295 PolarHBondContact O-N 3.11Å; K292-L295 PolarHBondContact O-N 3.12Å; L295-M298 PolarHBondContact O-N 3.13Å; L295-A299 WeakPolarHBondContact O-CB 3.49Å; L295-A299 PolarHBondContact O-N 3.15Å
296L97.5Very high96.6Very high109 Ų109106.4 Ų106.457%0.57152%0.522SS*.Hα-helixtrans-64-44173.8-72.9170.4000111.6K292 D293 R294 M298 A299 V300K292-L296 WeakPolarHBondContact O-CB 3.48Å; K292-L296 VanDerWaalsContact O-CG 3.28Å; K292-L296 WeakPolarHBondContact O-CG 3.49Å; K292-L296 PolarHBondContact O-N 3.37Å; D293-L296 PolarHBondContact O-N 3.4Å; R294-L296 VanDerWaalsContact C-N 3.35Å; L296-M298 VanDerWaalsContact C-N 3.35Å; L296-M298 PolarHBondContact O-N 3.35Å; L296-A299 PolarHBondContact O-N 3.11Å; L296-V300 WeakPolarHBondContact O-CG2 3.5Å; L296-V300 PolarHBondContact O-N 3.09Å
297A97.1Very high95.4Very high44 Ų44107.6 Ų107.636%0.36454%0.535SS..Hα-helixtrans-59.7-43.8174.300000111.8D293 R294 A299 V300 I301D293-A297 WeakPolarHBondContact O-CB 3.47Å; D293-A297 PolarHBondContact O-N 3.36Å; R294-A297 PolarHBondContact O-N 3.1Å; A297-A299 VanDerWaalsContact C-N 3.34Å; A297-A299 PolarHBondContact O-N 3.34Å; A297-V300 PolarHBondContact O-N 3.38Å; A297-I301 WeakPolarHBondContact O-CB 3.49Å; A297-I301 VanDerWaalsContact O-CG1 3.26Å; A297-I301 WeakPolarHBondContact O-CG1 3.49Å; A297-I301 PolarHBondContact O-N 3.14Å
298M95.9Very high95.3Very high91 Ų91107.3 Ų107.345%0.44854%0.535SS..Hα-helixtrans-66.9-31.8175.4-65.5-55.4107.900113R294 L295 L296 I301 R302R294-M298 WeakPolarHBondContact O-CG 3.46Å; R294-M298 PolarHBondContact O-N 3.4Å; L295-M298 PolarHBondContact O-N 3.13Å; L296-M298 VanDerWaalsContact C-N 3.35Å; L296-M298 PolarHBondContact O-N 3.35Å; M298-I301 HydrophobicContact CE-CD1 3.75Å; M298-R302 WeakPolarHBondContact O-CB 3.47Å; M298-R302 WeakPolarHBondContact O-CG 3.35Å; M298-R302 PolarHBondContact O-N 3.34Å; M298-R302 PolarHBondContact O-NE 3.46Å
299A96.6Very high95.1Very high43 Ų43109.6 Ų109.636%0.35555%0.548SS..Hα-helixtrans-70.5-42.7174.100000112L295 L296 A297 I301 R302 K303L295-A299 WeakPolarHBondContact O-CB 3.49Å; L295-A299 PolarHBondContact O-N 3.15Å; L296-A299 PolarHBondContact O-N 3.11Å; A297-A299 VanDerWaalsContact C-N 3.34Å; A297-A299 PolarHBondContact O-N 3.34Å; A299-I301 VanDerWaalsContact C-N 3.34Å; A299-R302 PolarHBondContact O-N 3.08Å; A299-K303 WeakPolarHBondContact O-CB 3.34Å; A299-K303 PolarHBondContact O-N 3.42Å
300V96.9Very high94.9Very high102 Ų102110.2 Ų110.262%0.61855%0.55SS*.Hα-helixtrans-62.6-41.5173.5170.90000111L296 A297 K304L296-V300 WeakPolarHBondContact O-CG2 3.5Å; L296-V300 PolarHBondContact O-N 3.09Å; A297-V300 PolarHBondContact O-N 3.38Å; V300-K304 WeakPolarHBondContact O-CB 3.49Å; V300-K304 PolarHBondContact O-N 3.31Å
301I95.4Very high94.7Very high78 Ų78108.5 Ų108.540%0.455%0.551SS.*Hα-helixtrans-63.6-46.8176.1-73.5166.5000111.2A297 M298 A299 K304 H305A297-I301 WeakPolarHBondContact O-CB 3.49Å; A297-I301 VanDerWaalsContact O-CG1 3.26Å; A297-I301 WeakPolarHBondContact O-CG1 3.49Å; A297-I301 PolarHBondContact O-N 3.14Å; M298-I301 HydrophobicContact CE-CD1 3.75Å; A299-I301 VanDerWaalsContact C-N 3.34Å; I301-K304 PolarHBondContact O-N 3.43Å; I301-H305 PolarHBondContact O-N 3.32Å; I301-H305 PolarHBondContact O-ND1 3.4Å
302R94.8Very high94.5Very high129 Ų129110.1 Ų110.149%0.48756%0.561SS.*Hα-helixtrans-59.9-51.4176.3-80.8-176.5-72.2177.8-0.3112M298 A299 K304 H305 G306 M307M298-R302 WeakPolarHBondContact O-CB 3.47Å; M298-R302 WeakPolarHBondContact O-CG 3.35Å; M298-R302 PolarHBondContact O-N 3.34Å; M298-R302 PolarHBondContact O-NE 3.46Å; A299-R302 PolarHBondContact O-N 3.08Å; R302-K304 PolarHBondContact O-N 3.14Å; R302-H305 CarbonylContact O-C 3.08Å; R302-H305 PolarHBondContact O-N 3.14Å; R302-G306 PolarHBondContact O-N 3.26Å; R302-G306 VanDerWaalsContact O-N 3.11Å; R302-M307 CarbonylContact C-O 3.34Å; R302-M307 VanDerWaalsContact C-O 3.26Å; R302-M307 HydrophobicContact CB-CB 4.13Å; R302-M307 WeakPolarHBondContact CB-O 3.33Å; R302-M307 HydrophobicContact CG-CB 4.11Å; R302-M307 HydrophobicContact CG-CE 4.34Å; R302-M307 PolarHBondContact O-N 3.43Å; R302-M307 VanDerWaalsContact O-N 3.11Å
303K95.8Very high94.2Very high181 Ų181109.7 Ų109.779%0.78757%0.565SS**Hα-helixtrans-57.3-33.2176.7-173.3170.7-177.2173.70113.5A299A299-K303 WeakPolarHBondContact O-CB 3.34Å; A299-K303 PolarHBondContact O-N 3.42Å
304K95.1Very high93.9Very high169 Ų169111.3 Ų111.374%0.73557%0.572SS**Hα-helixtrans-69.2-33.2174.9-176.7-177.8175.1-170.10113V300 I301 R302V300-K304 WeakPolarHBondContact O-CB 3.49Å; V300-K304 PolarHBondContact O-N 3.31Å; I301-K304 PolarHBondContact O-N 3.43Å; R302-K304 PolarHBondContact O-N 3.14Å
305H94.4Very high93.6Very high119 Ų119108.2 Ų108.255%0.55157%0.572SS**Hα-helixtrans-99.45.6-175.8-61.399.7000113.7I301 R302 M307I301-H305 PolarHBondContact O-N 3.32Å; I301-H305 PolarHBondContact O-ND1 3.4Å; R302-H305 CarbonylContact O-C 3.08Å; R302-H305 PolarHBondContact O-N 3.14Å; H305-M307 HydrophobicContact CB-CE 3.89Å
306G87.1Confident93.3Very high76 Ų76109.2 Ų109.278%0.78458%0.578SS**THydrogen-bonded Turntrans74.324.6179.600000114.6R302R302-G306 PolarHBondContact O-N 3.26Å; R302-G306 VanDerWaalsContact O-N 3.11Å
307M72.5Confident92.9Very high169 Ų169109.2 Ų109.283%0.83358%0.578SS**  trans-104.60174.1-63.7-175.6-74.900112R302 H305R302-M307 CarbonylContact C-O 3.34Å; R302-M307 VanDerWaalsContact C-O 3.26Å; R302-M307 HydrophobicContact CB-CB 4.13Å; R302-M307 WeakPolarHBondContact CB-O 3.33Å; R302-M307 HydrophobicContact CG-CB 4.11Å; R302-M307 HydrophobicContact CG-CE 4.34Å; R302-M307 PolarHBondContact O-N 3.43Å; R302-M307 VanDerWaalsContact O-N 3.11Å; H305-M307 HydrophobicContact CB-CE 3.89Å

Retrieved 307 of 307 residues in 1450.6 ms (Link to these results)