A0A3Q0KNG5_SCHMA Loading...

CARD_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNG5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 520 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
1M48.1Very low74.4Confident191 Ų19156.3 Ų56.394%0.94128%0.275SS*.  0126.60-160.2176.3178.700108.1N435M1-N435 PolarHBondContact N-OD1 3.28Å
2L60.5Low74.7Confident69 Ų6952.9 Ų52.936%0.36126%0.259SS..  trans-66.1136.4175.8-70.7163.6000109.2E6 L7 L383L2-E6 WeakPolarHBondContact CA-OE2 3.23Å; L2-E6 HydrophobicContact CB-CB 4.03Å; L2-E6 HydrophobicContact CD2-CB 3.81Å; L2-E6 HydrophobicContact CD2-CG 4.22Å; L2-E6 HydrophobicContact CG-CB 4.45Å; L2-L7 HydrophobicContact CB-CG 4.07Å; L2-L383 HydrophobicContact CD1-CD2 4.43Å; L2-L383 HydrophobicContact CD2-CD2 4.04Å
3S80.3Confident74.5Confident31 Ų3151.9 Ų51.922%0.21726%0.256CS..  trans-61.6160.7172.861.90000111.4E5 E6 L7S3-E5 WeakPolarHBondContact CB-OE2 3.16Å; S3-E5 PolarHBondContact O-N 3.46Å; S3-E6 WeakPolarHBondContact CB-OE2 3.27Å; S3-E6 PolarHBondContact N-OE2 3.26Å; S3-E6 PolarHBondContact O-N 3.18Å; S3-E6 WeakPolarHBondContact OG-CG 3.38Å; S3-E6 PolarHBondContact OG-N 3.27Å; S3-E6 PolarHBondContact OG-OE2 3.47Å; S3-L7 PolarHBondContact O-N 3.5Å
4C79.9Confident73.8Confident28 Ų2854 Ų5419%0.18928%0.275CS..Hα-helixtrans-59-33.2178.1-71.10000111.2A8 Y97 L100C4-A8 VanDerWaalsContact O-CB 3.32Å; C4-A8 WeakPolarHBondContact O-CB 3.3Å; C4-A8 PolarHBondContact O-N 3.33Å; C4-Y97 HydrophobicContact CB-CD2 4.04Å; C4-Y97 HydrophobicContact CB-CE2 3.74Å; C4-L100 HydrophobicContact CB-CB 4.33Å
5E86.2Confident73.9Confident8 Ų853.1 Ų53.14%0.03728%0.276CS..Hα-helixtrans-63.9-50.2175.7-63.977-168.700111.4S3 L7 A8 I9 I71 Q72 F75 Y97S3-E5 WeakPolarHBondContact CB-OE2 3.16Å; S3-E5 PolarHBondContact O-N 3.46Å; E5-L7 PolarHBondContact O-N 3.47Å; E5-A8 PolarHBondContact O-N 3.43Å; E5-I9 WeakPolarHBondContact O-CG1 3.47Å; E5-I9 PolarHBondContact O-N 3.03Å; E5-I71 HydrophobicContact CB-CG1 4.49Å; E5-Q72 HydrophobicContact CG-CG 4.3Å; E5-Q72 WeakPolarHBondContact OE1-CG 3.43Å; E5-F75 HydrophobicContact CB-CB 3.88Å; E5-F75 HydrophobicContact CB-CD1 4.05Å; E5-F75 HydrophobicContact CB-CD2 4.11Å; E5-F75 HydrophobicContact CB-CG 3.75Å; E5-F75 HydrophobicContact CG-CB 3.81Å; E5-F75 HydrophobicContact CG-CD1 3.63Å; E5-F75 HydrophobicContact CG-CE1 4.35Å; E5-F75 HydrophobicContact CG-CG 3.75Å; E5-Y97 VanDerWaalsContact CD-CE2 3.47Å; E5-Y97 HydrophobicContact CG-CD2 4.32Å; E5-Y97 HydrophobicContact CG-CE2 3.68Å; E5-Y97 WeakPolarHBondContact OE1-CE2 3.41Å; E5-Y97 PolarHBondContact OE1-OH 3.36Å
6E78.7Confident74.1Confident40 Ų4049.9 Ų49.919%0.18726%0.259CS..Hα-helixtrans-63.6-41.8177.7-67.2166.612700111.4L2 S3 A8 I9 M10 L66 I71L2-E6 WeakPolarHBondContact CA-OE2 3.23Å; L2-E6 HydrophobicContact CB-CB 4.03Å; L2-E6 HydrophobicContact CD2-CB 3.81Å; L2-E6 HydrophobicContact CD2-CG 4.22Å; L2-E6 HydrophobicContact CG-CB 4.45Å; S3-E6 WeakPolarHBondContact CB-OE2 3.27Å; S3-E6 PolarHBondContact N-OE2 3.26Å; S3-E6 PolarHBondContact O-N 3.18Å; S3-E6 WeakPolarHBondContact OG-CG 3.38Å; S3-E6 PolarHBondContact OG-N 3.27Å; S3-E6 PolarHBondContact OG-OE2 3.47Å; E6-A8 VanDerWaalsContact C-N 3.34Å; E6-A8 PolarHBondContact O-N 3.36Å; E6-I9 PolarHBondContact O-N 3.36Å; E6-M10 WeakPolarHBondContact O-CB 3.44Å; E6-M10 VanDerWaalsContact O-CG 3.23Å; E6-M10 WeakPolarHBondContact O-CG 3.33Å; E6-M10 PolarHBondContact O-N 3.36Å; E6-L66 HydrophobicContact CB-CD2 4.06Å; E6-L66 HydrophobicContact CG-CD2 3.73Å; E6-I71 HydrophobicContact CG-CG1 3.92Å
7L71.7Confident74.4Confident53 Ų5347.4 Ų47.428%0.27725%0.246SC..Hα-helixtrans-63.5-38.5175.9-82.5166.6000112.5L2 S3 E5 M10 R11 L100L2-L7 HydrophobicContact CB-CG 4.07Å; S3-L7 PolarHBondContact O-N 3.5Å; E5-L7 PolarHBondContact O-N 3.47Å; L7-M10 PolarHBondContact O-N 3.38Å; L7-R11 WeakPolarHBondContact O-CB 2.9Å; L7-R11 WeakPolarHBondContact O-CG 3.48Å; L7-R11 PolarHBondContact O-N 3.46Å; L7-L100 HydrophobicContact CB-CD1 3.73Å
8A81.6Confident74.5Confident0 Ų047.1 Ų47.10%025%0.249CC..Hα-helixtrans-64.3-44.5176.600000111.1C4 E5 E6 N12 F75 L93 T96 Y97 L100C4-A8 VanDerWaalsContact O-CB 3.32Å; C4-A8 WeakPolarHBondContact O-CB 3.3Å; C4-A8 PolarHBondContact O-N 3.33Å; E5-A8 PolarHBondContact O-N 3.43Å; E6-A8 VanDerWaalsContact C-N 3.34Å; E6-A8 PolarHBondContact O-N 3.36Å; A8-N12 PolarHBondContact O-N 3.07Å; A8-N12 PolarHBondContact O-ND2 3.38Å; A8-F75 HydrophobicContact CB-CE2 4.24Å; A8-F75 HydrophobicContact CB-CZ 3.98Å; A8-L93 WeakPolarHBondContact O-CD2 3.43Å; A8-T96 HydrophobicContact CB-CG2 4.46Å; A8-Y97 HydrophobicContact CB-CD2 4.48Å; A8-L100 HydrophobicContact CB-CD1 4.2Å
9I81.9Confident75Confident2 Ų248.4 Ų48.41%0.0126%0.256CS..Hα-helixtrans-61.6-51.9174.5-67.2171.8000110.4E5 E6 R11 N12 L13 L16 I62 L66 F75 L93E5-I9 WeakPolarHBondContact O-CG1 3.47Å; E5-I9 PolarHBondContact O-N 3.03Å; E6-I9 PolarHBondContact O-N 3.36Å; I9-R11 PolarHBondContact O-N 3.44Å; I9-N12 CarbonylContact O-C 3.58Å; I9-N12 PolarHBondContact O-N 2.99Å; I9-N12 VanDerWaalsContact O-N 3.15Å; I9-L13 PolarHBondContact O-N 2.97Å; I9-L16 HydrophobicContact CG2-CD1 4.14Å; I9-I62 HydrophobicContact CG2-CD1 4.1Å; I9-I62 HydrophobicContact CG2-CG2 3.5Å; I9-I62 VanDerWaalsContact CG2-CG2 3.5Å; I9-L66 HydrophobicContact CB-CD2 4.39Å; I9-L66 HydrophobicContact CD1-CD2 3.84Å; I9-L66 HydrophobicContact CG2-CD1 4.49Å; I9-L66 HydrophobicContact CG2-CD2 4.37Å; I9-F75 HydrophobicContact CD1-CD2 3.8Å; I9-F75 HydrophobicContact CD1-CE2 4.26Å; I9-F75 HydrophobicContact CG1-CD2 3.82Å; I9-F75 HydrophobicContact CG1-CE2 3.74Å; I9-L93 HydrophobicContact CG1-CD2 4.47Å
10M74.7Confident75.6Confident55 Ų5546 Ų4627%0.27124%0.243SC..Hα-helixtrans-65.6-39.7-172.7-71.9-62.1-68.200112.8E6 L7 N12 L13 L66 L383E6-M10 WeakPolarHBondContact O-CB 3.44Å; E6-M10 VanDerWaalsContact O-CG 3.23Å; E6-M10 WeakPolarHBondContact O-CG 3.33Å; E6-M10 PolarHBondContact O-N 3.36Å; L7-M10 PolarHBondContact O-N 3.38Å; M10-N12 PolarHBondContact O-N 2.88Å; M10-L13 HydrophobicContact CE-CD2 4.48Å; M10-L13 WeakPolarHBondContact O-CB 3.14Å; M10-L13 PolarHBondContact O-N 2.83Å; M10-L13 HydrophobicContact SD-CD2 4.39Å; M10-L66 HydrophobicContact SD-CD1 3.95Å; M10-L383 HydrophobicContact CE-CD2 4.42Å
11R74.5Confident76.1Confident142 Ų14247.9 Ų47.954%0.53625%0.251SS..Hα-helixtrans-65-28.6176.2-79.1-174.7171.41712.5113.2L7 I9 T96L7-R11 WeakPolarHBondContact O-CB 2.9Å; L7-R11 WeakPolarHBondContact O-CG 3.48Å; L7-R11 PolarHBondContact O-N 3.46Å; I9-R11 PolarHBondContact O-N 3.44Å; R11-T96 HydrophobicContact CB-CG2 4.41Å
12N78.4Confident77.8Confident16 Ų1638.8 Ų38.89%0.08621%0.206CC..THydrogen-bonded Turntrans-103.99-179.8-63.1-64.3000112.7A8 I9 M10 P14 S15 L16 L92 L93 T96A8-N12 PolarHBondContact O-N 3.07Å; A8-N12 PolarHBondContact O-ND2 3.38Å; I9-N12 CarbonylContact O-C 3.58Å; I9-N12 PolarHBondContact O-N 2.99Å; I9-N12 VanDerWaalsContact O-N 3.15Å; M10-N12 PolarHBondContact O-N 2.88Å; N12-P14 VanDerWaalsContact C-CD 3.41Å; N12-P14 VanDerWaalsContact C-N 3.32Å; N12-S15 PolarHBondContact O-N 3.06Å; N12-L16 PolarHBondContact O-N 3.29Å; N12-L92 HydrophobicContact CB-CD2 3.98Å; N12-L92 VanDerWaalsContact OD1-CD2 3.26Å; N12-L92 WeakPolarHBondContact OD1-CD2 3.08Å; N12-L92 WeakPolarHBondContact OD1-CG 3.2Å; N12-L93 HydrophobicContact CB-CD2 3.94Å; N12-T96 VanDerWaalsContact ND2-CB 3.32Å; N12-T96 WeakPolarHBondContact ND2-CB 3.39Å; N12-T96 WeakPolarHBondContact ND2-CG2 3.2Å; N12-T96 PolarHBondContact ND2-OG1 3.44Å
13L71.4Confident79Confident40 Ų4038.7 Ų38.721%0.20921%0.205CC..Hα-helixtrans-55.4-40.2178.8-17168.6000112.7I9 M10 S15 L16 V17 I62I9-L13 PolarHBondContact O-N 2.97Å; M10-L13 HydrophobicContact CE-CD2 4.48Å; M10-L13 WeakPolarHBondContact O-CB 3.14Å; M10-L13 PolarHBondContact O-N 2.83Å; M10-L13 HydrophobicContact SD-CD2 4.39Å; L13-S15 VanDerWaalsContact C-N 3.31Å; L13-S15 PolarHBondContact O-N 2.96Å; L13-L16 PolarHBondContact O-N 3.1Å; L13-V17 HydrophobicContact CD1-CG2 4.16Å; L13-V17 HydrophobicContact CG-CG2 4.19Å; L13-V17 WeakPolarHBondContact O-CB 3.49Å; L13-V17 VanDerWaalsContact O-CG2 3.24Å; L13-V17 WeakPolarHBondContact O-CG2 3.44Å; L13-V17 PolarHBondContact O-N 2.85Å; L13-I62 HydrophobicContact CD1-CB 4.18Å; L13-I62 HydrophobicContact CD1-CG1 4.09Å; L13-I62 HydrophobicContact CD1-CG2 3.83Å
14P65.7Low79.2Confident81 Ų8140.7 Ų40.753%0.52621%0.213SC..Hα-helixtrans-58.6-42.1175.7-24.835.4000113N12 S18N12-P14 VanDerWaalsContact C-CD 3.41Å; N12-P14 VanDerWaalsContact C-N 3.32Å; P14-S18 WeakPolarHBondContact O-CB 3.34Å; P14-S18 PolarHBondContact O-N 3.05Å; P14-S18 PolarHBondContact O-OG 3.41Å
15S74.6Confident79.6Confident41 Ų4139.4 Ų39.429%0.28720%0.204SC..Hα-helixtrans-71.7-39.7178.8-56.80000112.1N12 L13 V17 S18 D19N12-S15 PolarHBondContact O-N 3.06Å; L13-S15 VanDerWaalsContact C-N 3.31Å; L13-S15 PolarHBondContact O-N 2.96Å; S15-V17 PolarHBondContact O-N 2.79Å; S15-S18 WeakPolarHBondContact CA-OG 3.45Å; S15-S18 PolarHBondContact O-N 3.44Å; S15-S18 PolarHBondContact O-OG 3.15Å; S15-D19 WeakPolarHBondContact O-CB 3.47Å; S15-D19 PolarHBondContact O-N 3.38Å
16L77.9Confident79.6Confident1 Ų139.1 Ų39.11%0.00520%0.203CC..Hα-helixtrans-60.5-46.7173.5-73.6164.2000110.8I9 N12 L13 S18 L20 I62 F78 L82 L89 L93I9-L16 HydrophobicContact CG2-CD1 4.14Å; N12-L16 PolarHBondContact O-N 3.29Å; L13-L16 PolarHBondContact O-N 3.1Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 3.38Å; L16-L20 HydrophobicContact CD2-CD2 4.25Å; L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 PolarHBondContact O-N 3.2Å; L16-I62 HydrophobicContact CD1-CD1 3.96Å; L16-F78 HydrophobicContact CD2-CE1 4.36Å; L16-F78 HydrophobicContact CD2-CZ 4.25Å; L16-L82 HydrophobicContact CD2-CD1 4.49Å; L16-L89 HydrophobicContact CD2-CD1 4.21Å; L16-L89 HydrophobicContact CD2-CD2 4.43Å; L16-L93 HydrophobicContact CD1-CD1 4.41Å; L16-L93 HydrophobicContact CD1-CD2 4.31Å; L16-L93 HydrophobicContact CD2-CD1 3.99Å
17V79.3Confident79.8Confident7 Ų741.5 Ų41.54%0.04222%0.217CC..Hα-helixtrans-68.9-30179.9174.20000112.2L13 S15 R55 V58 R59L13-V17 HydrophobicContact CD1-CG2 4.16Å; L13-V17 HydrophobicContact CG-CG2 4.19Å; L13-V17 WeakPolarHBondContact O-CB 3.49Å; L13-V17 VanDerWaalsContact O-CG2 3.24Å; L13-V17 WeakPolarHBondContact O-CG2 3.44Å; L13-V17 PolarHBondContact O-N 2.85Å; S15-V17 PolarHBondContact O-N 2.79Å; V17-R55 HydrophobicContact CG1-CB 3.68Å; V17-R55 HydrophobicContact CG1-CG 3.85Å; V17-V58 HydrophobicContact CG2-CG1 4.14Å; V17-R59 HydrophobicContact CG2-CG 3.69Å
18S75.5Confident80.4Confident42 Ų4243.2 Ų43.229%0.29422%0.223SC..Hα-helixtrans-73.3-43177.666.90000112P14 S15 L16 R54P14-S18 WeakPolarHBondContact O-CB 3.34Å; P14-S18 PolarHBondContact O-N 3.05Å; P14-S18 PolarHBondContact O-OG 3.41Å; S15-S18 WeakPolarHBondContact CA-OG 3.45Å; S15-S18 PolarHBondContact O-N 3.44Å; S15-S18 PolarHBondContact O-OG 3.15Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 3.38Å; S18-R54 PolarHBondContact O-NH1 3.09Å; S18-R54 PolarHBondContact O-NH2 3.22Å
19D83.6Confident80.5Confident73 Ų7343.2 Ų43.239%0.3922%0.223SC..Hα-helixtrans-109.7-27.8-162.5-62-1000113.4S15 Y86 H88 L89S15-D19 WeakPolarHBondContact O-CB 3.47Å; S15-D19 PolarHBondContact O-N 3.38Å; D19-Y86 WeakPolarHBondContact O-CE1 3.32Å; D19-H88 IonicContact OD2-CD2 3.59Å; D19-H88 IonicContact OD2-CE1 3.89Å; D19-H88 IonicContact OD2-NE2 2.83Å; D19-H88 PolarHBondContact OD2-NE2 3.35Å; D19-L89 HydrophobicContact CB-CD1 4.06Å; D19-L89 HydrophobicContact CB-CD2 4.24Å; D19-L89 HydrophobicContact CB-CG 4.39Å
20L86.9Confident80.5Confident0 Ų045.3 Ų45.30%024%0.236CC..  trans-78.7146.5-178.3-163.965.7000111.3L16 I25 R54 V58 L61 F78 L82 Y86 L89L16-L20 HydrophobicContact CD2-CD2 4.25Å; L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 PolarHBondContact O-N 3.2Å; L20-I25 HydrophobicContact CD1-CD1 4.12Å; L20-I25 HydrophobicContact CD1-CG2 4.48Å; L20-I25 HydrophobicContact CD2-CD1 3.73Å; L20-I25 HydrophobicContact CG-CD1 4.1Å; L20-R54 PolarHBondContact O-NH1 3.03Å; L20-V58 HydrophobicContact CB-CG1 4.25Å; L20-V58 HydrophobicContact CB-CG2 4.28Å; L20-V58 HydrophobicContact CD2-CG1 4.15Å; L20-V58 VanDerWaalsContact O-CG2 3.25Å; L20-V58 WeakPolarHBondContact O-CG2 3.19Å; L20-L61 HydrophobicContact CD2-CD2 4.45Å; L20-F78 HydrophobicContact CD2-CE2 4.38Å; L20-F78 HydrophobicContact CD2-CZ 4.07Å; L20-L82 HydrophobicContact CD1-CD2 3.41Å; L20-L82 VanDerWaalsContact CD1-CD2 3.41Å; L20-L82 HydrophobicContact CD2-CD2 4.46Å; L20-Y86 HydrophobicContact CD1-CD1 3.91Å; L20-Y86 HydrophobicContact CD1-CD2 3.71Å; L20-Y86 HydrophobicContact CD1-CE1 4Å; L20-Y86 HydrophobicContact CD1-CE2 3.83Å; L20-Y86 HydrophobicContact CD1-CG 3.75Å; L20-L89 HydrophobicContact CB-CD1 4.01Å; L20-L89 HydrophobicContact CD1-CD1 4.05Å
21E87.1Confident80.8Confident86 Ų8646.4 Ų46.440%0.40225%0.254SS..  trans-116.9115171.3-152.2147.2-113.700108.2M23 D24 R54 Y86E21-M23 PolarHBondContact O-N 3.1Å; E21-D24 WeakPolarHBondContact CB-OD2 3.26Å; E21-D24 PolarHBondContact O-N 3.06Å; E21-R54 HydrophobicContact CG-CG 4.03Å; E21-R54 WeakPolarHBondContact OE1-CD 3.32Å; E21-R54 IonicContact OE1-NE 3.48Å; E21-Y86 VanDerWaalsContact CB-OH 3.32Å; E21-Y86 WeakPolarHBondContact CB-OH 3.16Å; E21-Y86 PolarHBondContact N-OH 2.95Å
22S83.9Confident81Confident0 Ų041.3 Ų41.30%024%0.239CC..Hα-helixtrans-62.1-32.5-171.450.90000112.6D24 I25 I26S22-D24 VanDerWaalsContact C-N 3.32Å; S22-D24 PolarHBondContact O-N 2.99Å; S22-I25 PolarHBondContact O-N 2.74Å; S22-I26 VanDerWaalsContact O-CB 3.3Å; S22-I26 WeakPolarHBondContact O-CB 3.39Å; S22-I26 PolarHBondContact O-N 2.9Å; S22-I26 VanDerWaalsContact O-N 3.11Å
23M84.4Confident80.7Confident67 Ų6747.3 Ų47.333%0.3328%0.276SS..Hα-helixtrans-69.8-27-178.8-62.8-56.2-156.200113.4E21 I25 I46 Q50E21-M23 PolarHBondContact O-N 3.1Å; M23-I25 VanDerWaalsContact C-N 3.3Å; M23-I25 PolarHBondContact O-N 2.86Å; M23-I46 HydrophobicContact CE-CB 4.22Å; M23-I46 HydrophobicContact CE-CG1 4Å; M23-I46 HydrophobicContact CE-CG2 4.09Å; M23-I46 HydrophobicContact SD-CG1 3.96Å; M23-Q50 HydrophobicContact CE-CG 4.35Å
24D86.1Confident80.4Confident72 Ų7250.3 Ų50.339%0.38530%0.298SS..Hα-helixtrans-71-32.4-179.4-66-7.4000111.5E21 S22 H28 Y86E21-D24 WeakPolarHBondContact CB-OD2 3.26Å; E21-D24 PolarHBondContact O-N 3.06Å; S22-D24 VanDerWaalsContact C-N 3.32Å; S22-D24 PolarHBondContact O-N 2.99Å; D24-H28 PolarHBondContact O-CD2 2.91Å; D24-Y86 HydrophobicContact CB-CE2 4.28Å; D24-Y86 PolarHBondContact OD2-OH 2.94Å
25I87.7Confident80.9Confident1 Ų150.2 Ų50.21%0.00530%0.297CS..Hα-helixtrans-106-13.5-172.159.4160.5000113.6L20 S22 M23 D27 H28 L29 L61 F78 I81 Y86L20-I25 HydrophobicContact CD1-CD1 4.12Å; L20-I25 HydrophobicContact CD1-CG2 4.48Å; L20-I25 HydrophobicContact CD2-CD1 3.73Å; L20-I25 HydrophobicContact CG-CD1 4.1Å; S22-I25 PolarHBondContact O-N 2.74Å; M23-I25 VanDerWaalsContact C-N 3.3Å; M23-I25 PolarHBondContact O-N 2.86Å; I25-D27 VanDerWaalsContact C-N 3.32Å; I25-D27 PolarHBondContact O-N 3.07Å; I25-H28 WeakPolarHBondContact O-CB 3.48Å; I25-H28 PolarHBondContact O-N 3.22Å; I25-H28 VanDerWaalsContact O-N 3.14Å; I25-L29 HydrophobicContact CD1-CD1 4.19Å; I25-L29 HydrophobicContact CG1-CD1 4.43Å; I25-L29 WeakPolarHBondContact O-CG 3.39Å; I25-L29 PolarHBondContact O-N 2.69Å; I25-L61 HydrophobicContact CD1-CD1 3.83Å; I25-L61 HydrophobicContact CD1-CD2 3.86Å; I25-L61 HydrophobicContact CG1-CD1 4.03Å; I25-F78 HydrophobicContact CD1-CE2 3.84Å; I25-I81 HydrophobicContact CB-CG2 3.96Å; I25-I81 HydrophobicContact CG2-CG2 3.83Å; I25-Y86 HydrophobicContact CG2-CD2 4.21Å; I25-Y86 HydrophobicContact CG2-CE2 4.01Å
26I85.8Confident81Confident3 Ų348.8 Ų48.82%0.01529%0.286CS..Hα-helixtrans-63.4-37.8-172-158.3176.7000112.4S22 H28 L29 T30 I37 Y42 I45 I46S22-I26 VanDerWaalsContact O-CB 3.3Å; S22-I26 WeakPolarHBondContact O-CB 3.39Å; S22-I26 PolarHBondContact O-N 2.9Å; S22-I26 VanDerWaalsContact O-N 3.11Å; I26-H28 VanDerWaalsContact C-N 3.35Å; I26-L29 WeakPolarHBondContact O-CB 3.46Å; I26-L29 PolarHBondContact O-N 3.28Å; I26-T30 PolarHBondContact O-N 3.43Å; I26-T30 PolarHBondContact O-OG1 3.49Å; I26-T30 VanDerWaalsContact O-OG1 3.09Å; I26-I37 HydrophobicContact CD1-CD1 4.39Å; I26-I37 HydrophobicContact CG1-CD1 3.51Å; I26-Y42 HydrophobicContact CB-CE2 4.43Å; I26-Y42 HydrophobicContact CD1-CD2 3.61Å; I26-Y42 HydrophobicContact CD1-CE2 3.94Å; I26-Y42 HydrophobicContact CD1-CG 4.13Å; I26-Y42 HydrophobicContact CG1-CD2 3.62Å; I26-Y42 HydrophobicContact CG1-CE2 3.93Å; I26-Y42 HydrophobicContact CG2-CD2 4.45Å; I26-Y42 HydrophobicContact CG2-CE2 3.86Å; I26-I45 HydrophobicContact CD1-CB 3.75Å; I26-I45 HydrophobicContact CD1-CD1 4.16Å; I26-I45 HydrophobicContact CD1-CG2 3.66Å; I26-I45 HydrophobicContact CG1-CD1 4.49Å; I26-I46 HydrophobicContact CD1-CG1 4.05Å
27D83.3Confident81.3Confident90 Ų9048.8 Ų48.848%0.48129%0.286SS..Hα-helixtrans-68.9-35.1177-73.7-21000111.8I25 L29 T30 A31 Y42I25-D27 VanDerWaalsContact C-N 3.32Å; I25-D27 PolarHBondContact O-N 3.07Å; D27-L29 VanDerWaalsContact C-N 3.32Å; D27-T30 WeakPolarHBondContact CA-OG1 3.35Å; D27-T30 PolarHBondContact O-N 2.97Å; D27-T30 PolarHBondContact O-OG1 3.43Å; D27-A31 WeakPolarHBondContact O-CB 3.47Å; D27-A31 PolarHBondContact O-N 2.96Å; D27-Y42 WeakPolarHBondContact OD1-CE2 3.4Å; D27-Y42 PolarHBondContact OD1-OH 3.24Å
28H84.4Confident81.5Confident89 Ų8950.7 Ų50.741%0.41230%0.298SS..Hα-helixtrans-67-36.6173.2-63.7-64000111.4D24 I25 I26 A31 T32 I81D24-H28 PolarHBondContact O-CD2 2.91Å; I25-H28 WeakPolarHBondContact O-CB 3.48Å; I25-H28 PolarHBondContact O-N 3.22Å; I25-H28 VanDerWaalsContact O-N 3.14Å; I26-H28 VanDerWaalsContact C-N 3.35Å; H28-A31 PolarHBondContact O-N 2.85Å; H28-T32 WeakPolarHBondContact O-CG2 3.33Å; H28-T32 PolarHBondContact O-N 2.86Å; H28-I81 HydrophobicContact CB-CD1 4.18Å; H28-I81 HydrophobicContact CB-CG1 4.22Å; H28-I81 HydrophobicContact CB-CG2 4.01Å
29L82.8Confident81.8Confident0 Ų053.7 Ų53.70%032%0.316CS..Hα-helixtrans-68.3-35.3176.4-68.6170.6000112.7I25 I26 D27 T32 L36 I37 L61 L65 F78 I81I25-L29 HydrophobicContact CD1-CD1 4.19Å; I25-L29 HydrophobicContact CG1-CD1 4.43Å; I25-L29 WeakPolarHBondContact O-CG 3.39Å; I25-L29 PolarHBondContact O-N 2.69Å; I26-L29 WeakPolarHBondContact O-CB 3.46Å; I26-L29 PolarHBondContact O-N 3.28Å; D27-L29 VanDerWaalsContact C-N 3.32Å; L29-T32 PolarHBondContact O-OG1 3.4Å; L29-L36 HydrophobicContact CB-CB 4.48Å; L29-L36 HydrophobicContact CD2-CB 4.07Å; L29-L36 HydrophobicContact CD2-CD1 3.52Å; L29-L36 HydrophobicContact CD2-CG 4.46Å; L29-L36 PolarHBondContact O-N 2.96Å; L29-L36 VanDerWaalsContact O-N 3.07Å; L29-I37 HydrophobicContact CB-CD1 3.69Å; L29-I37 HydrophobicContact CB-CG1 3.83Å; L29-I37 HydrophobicContact CD1-CD1 4.41Å; L29-L61 HydrophobicContact CD1-CD1 3.53Å; L29-L61 HydrophobicContact CD1-CD2 4.36Å; L29-L61 HydrophobicContact CD1-CG 4.02Å; L29-L65 HydrophobicContact CD2-CD2 4.08Å; L29-F78 HydrophobicContact CD2-CD2 4.38Å; L29-I81 HydrophobicContact CD2-CD1 3.5Å; L29-I81 VanDerWaalsContact CD2-CD1 3.5Å; L29-I81 HydrophobicContact CG-CD1 4.05Å
30T82.5Confident81.8Confident46 Ų4654.7 Ų54.728%0.28233%0.325SS..Hα-helixtrans-76.6-31.9173.136.50000113I26 D27 I37 Y42I26-T30 PolarHBondContact O-N 3.43Å; I26-T30 PolarHBondContact O-OG1 3.49Å; I26-T30 VanDerWaalsContact O-OG1 3.09Å; D27-T30 WeakPolarHBondContact CA-OG1 3.35Å; D27-T30 PolarHBondContact O-N 2.97Å; D27-T30 PolarHBondContact O-OG1 3.43Å; T30-I37 HydrophobicContact CG2-CD1 3.91Å; T30-I37 HydrophobicContact CG2-CG1 3.72Å; T30-Y42 HydrophobicContact CG2-CD2 3.66Å; T30-Y42 HydrophobicContact CG2-CE2 4.42Å; T30-Y42 HydrophobicContact CG2-CG 4.31Å
31A82Confident81.8Confident77 Ų7755.9 Ų55.964%0.63633%0.331SS*.Hα-helixtrans-76.7-17.7-178.500000114.4D27 H28D27-A31 WeakPolarHBondContact O-CB 3.47Å; D27-A31 PolarHBondContact O-N 2.96Å; H28-A31 PolarHBondContact O-N 2.85Å
32T78Confident81.8Confident36 Ų3655 Ų5522%0.22133%0.325CS..SBendtrans-61.7150.5175.146.20000112.3H28 L29 P34 P35 L36 I81H28-T32 WeakPolarHBondContact O-CG2 3.33Å; H28-T32 PolarHBondContact O-N 2.86Å; L29-T32 PolarHBondContact O-OG1 3.4Å; T32-P34 CarbonylContact C-O 2.86Å; T32-P34 CarbonylContact O-C 3.56Å; T32-P35 WeakPolarHBondContact O-CA 3.1Å; T32-L36 HydrophobicContact CG2-CD1 3.93Å; T32-L36 WeakPolarHBondContact OG1-CD1 3.23Å; T32-L36 VanDerWaalsContact OG1-CG 3.27Å; T32-L36 WeakPolarHBondContact OG1-CG 3.45Å; T32-L36 PolarHBondContact OG1-N 3.04Å; T32-I81 HydrophobicContact CG2-CD1 4.28Å
33T71Confident81.9Confident142 Ų14261.7 Ų61.787%0.87136%0.356SS*.SBendtrans-119.7113.317817.50000110.5
34P66.6Low81.9Confident103 Ų10361.2 Ų61.267%0.66936%0.36SS*.SBendcis-70.4155.1-4.931-33.8000112.4T32 L36T32-P34 CarbonylContact C-O 2.86Å; T32-P34 CarbonylContact O-C 3.56Å; P34-L36 PolarHBondContact O-N 3.24Å
35P75.2Confident81.8Confident78 Ų7857.8 Ų57.851%0.50634%0.341SS..  trans-59132.8-179.5-21.831.2000111.4T32 I37T32-P35 WeakPolarHBondContact O-CA 3.1Å; P35-I37 VanDerWaalsContact C-N 3.32Å
36L77.4Confident81.7Confident11 Ų1159.4 Ų59.46%0.05835%0.35CS..SBendtrans-76.6-24.8-178.5-67.5164000112.5L29 T32 P34 L65 R68 V74 I81L29-L36 HydrophobicContact CB-CB 4.48Å; L29-L36 HydrophobicContact CD2-CB 4.07Å; L29-L36 HydrophobicContact CD2-CD1 3.52Å; L29-L36 HydrophobicContact CD2-CG 4.46Å; L29-L36 PolarHBondContact O-N 2.96Å; L29-L36 VanDerWaalsContact O-N 3.07Å; T32-L36 HydrophobicContact CG2-CD1 3.93Å; T32-L36 WeakPolarHBondContact OG1-CD1 3.23Å; T32-L36 VanDerWaalsContact OG1-CG 3.27Å; T32-L36 WeakPolarHBondContact OG1-CG 3.45Å; T32-L36 PolarHBondContact OG1-N 3.04Å; P34-L36 PolarHBondContact O-N 3.24Å; L36-L65 HydrophobicContact CB-CD2 4.32Å; L36-R68 PolarHBondContact O-NE 3.42Å; L36-V74 HydrophobicContact CD2-CB 3.97Å; L36-V74 HydrophobicContact CD2-CG1 4.04Å; L36-V74 HydrophobicContact CD2-CG2 3.73Å; L36-I81 HydrophobicContact CD1-CD1 4.07Å
37I83.4Confident81.6Confident2 Ų261.9 Ų61.91%0.0137%0.371CS..SBendtrans-127.1145.9177.155.4176000110.1I26 L29 T30 P35 D41 Y42 I45 C64 L65I26-I37 HydrophobicContact CD1-CD1 4.39Å; I26-I37 HydrophobicContact CG1-CD1 3.51Å; L29-I37 HydrophobicContact CB-CD1 3.69Å; L29-I37 HydrophobicContact CB-CG1 3.83Å; L29-I37 HydrophobicContact CD1-CD1 4.41Å; T30-I37 HydrophobicContact CG2-CD1 3.91Å; T30-I37 HydrophobicContact CG2-CG1 3.72Å; P35-I37 VanDerWaalsContact C-N 3.32Å; I37-D41 HydrophobicContact CB-CB 4Å; I37-D41 HydrophobicContact CG2-CB 4.4Å; I37-Y42 HydrophobicContact CD1-CD2 4.41Å; I37-I45 HydrophobicContact CD1-CD1 4.35Å; I37-C64 HydrophobicContact CG2-CB 4.45Å; I37-L65 HydrophobicContact CG2-CD2 4.41Å
38T83.9Confident81.3Confident47 Ų4759 Ų5929%0.28836%0.356SS..  trans-83160.9176.539.30000110.4T40 D41 Y42 R68T38-T40 PolarHBondContact O-N 2.97Å; T38-T40 VanDerWaalsContact O-N 3.17Å; T38-T40 PolarHBondContact OG1-OG1 3.01Å; T38-D41 WeakPolarHBondContact O-CB 3.43Å; T38-D41 PolarHBondContact O-N 3.3Å; T38-D41 VanDerWaalsContact OG1-CG 3.26Å; T38-D41 PolarHBondContact OG1-OD1 3.38Å; T38-D41 PolarHBondContact OG1-OD2 3.24Å; T38-Y42 PolarHBondContact O-N 3.41Å; T38-R68 VanDerWaalsContact CG2-NH2 3.34Å; T38-R68 PolarHBondContact OG1-NH2 2.99Å
39P81.5Confident81.3Confident105 Ų10555.6 Ų55.668%0.68234%0.342SS*.Hα-helixtrans-54.1-35.3174-25.634.1000113.1Y42 E43P39-Y42 WeakPolarHBondContact O-CB 3.38Å; P39-Y42 PolarHBondContact O-N 3.01Å; P39-E43 PolarHBondContact O-N 3.05Å
40T84Confident81.3Confident94 Ų9462.7 Ų62.758%0.57738%0.376SS*.Hα-helixtrans-66.6-35.9174.137.30000114T38 S44T38-T40 PolarHBondContact O-N 2.97Å; T38-T40 VanDerWaalsContact O-N 3.17Å; T38-T40 PolarHBondContact OG1-OG1 3.01Å; T40-S44 WeakPolarHBondContact O-CB 3.43Å; T40-S44 PolarHBondContact O-N 3.27Å; T40-S44 PolarHBondContact O-OG 3.17Å
41D86.2Confident80.9Confident24 Ų2468.5 Ų68.513%0.12839%0.392CS..Hα-helixtrans-71.5-41.1175.4-73.4-3.4000109.7I37 T38 E43 S44 I45 C64 R68I37-D41 HydrophobicContact CB-CB 4Å; I37-D41 HydrophobicContact CG2-CB 4.4Å; T38-D41 WeakPolarHBondContact O-CB 3.43Å; T38-D41 PolarHBondContact O-N 3.3Å; T38-D41 VanDerWaalsContact OG1-CG 3.26Å; T38-D41 PolarHBondContact OG1-OD1 3.38Å; T38-D41 PolarHBondContact OG1-OD2 3.24Å; D41-E43 PolarHBondContact O-N 3.46Å; D41-S44 PolarHBondContact O-N 3.23Å; D41-I45 WeakPolarHBondContact O-CD1 3.32Å; D41-I45 WeakPolarHBondContact O-CG1 3.14Å; D41-I45 PolarHBondContact O-N 3.36Å; D41-C64 HydrophobicContact CB-CB 4.2Å; D41-C64 VanDerWaalsContact CG-SG 3.55Å; D41-R68 IonicContact OD2-CZ 3.84Å; D41-R68 IonicContact OD2-NE 3.94Å; D41-R68 IonicContact OD2-NH2 3.9Å; D41-R68 PolarHBondContact OD2-NH2 3.21Å
42Y87.2Confident80.2Confident68 Ų6867.8 Ų67.827%0.26738%0.376SS..Hα-helixtrans-55.7-51.3176-180-86.2000111.2I26 D27 T30 I37 T38 P39 S44 I45 I46I26-Y42 HydrophobicContact CB-CE2 4.43Å; I26-Y42 HydrophobicContact CD1-CD2 3.61Å; I26-Y42 HydrophobicContact CD1-CE2 3.94Å; I26-Y42 HydrophobicContact CD1-CG 4.13Å; I26-Y42 HydrophobicContact CG1-CD2 3.62Å; I26-Y42 HydrophobicContact CG1-CE2 3.93Å; I26-Y42 HydrophobicContact CG2-CD2 4.45Å; I26-Y42 HydrophobicContact CG2-CE2 3.86Å; D27-Y42 WeakPolarHBondContact OD1-CE2 3.4Å; D27-Y42 PolarHBondContact OD1-OH 3.24Å; T30-Y42 HydrophobicContact CG2-CD2 3.66Å; T30-Y42 HydrophobicContact CG2-CE2 4.42Å; T30-Y42 HydrophobicContact CG2-CG 4.31Å; I37-Y42 HydrophobicContact CD1-CD2 4.41Å; T38-Y42 PolarHBondContact O-N 3.41Å; P39-Y42 WeakPolarHBondContact O-CB 3.38Å; P39-Y42 PolarHBondContact O-N 3.01Å; Y42-S44 PolarHBondContact O-N 3.37Å; Y42-I45 PolarHBondContact O-N 3.02Å; Y42-I46 HydrophobicContact CD1-CD1 3.81Å; Y42-I46 HydrophobicContact CE1-CD1 3.18Å; Y42-I46 HydrophobicContact CE1-CG1 4.31Å; Y42-I46 HydrophobicContact CE2-CD1 4.24Å; Y42-I46 VanDerWaalsContact CZ-CD1 3.41Å; Y42-I46 WeakPolarHBondContact O-CG1 3.5Å; Y42-I46 PolarHBondContact O-N 2.64Å
43E86.1Confident80Confident140 Ų14067.5 Ų67.565%0.65438%0.38SS*.Hα-helixtrans-62.2-41.1175.6-73.8-172.1174.800112.4P39 D41 I46 A47P39-E43 PolarHBondContact O-N 3.05Å; D41-E43 PolarHBondContact O-N 3.46Å; E43-I46 PolarHBondContact O-N 2.83Å; E43-A47 VanDerWaalsContact O-CB 3.24Å; E43-A47 WeakPolarHBondContact O-CB 3.18Å; E43-A47 PolarHBondContact O-N 2.85Å
44S84.2Confident80.6Confident58 Ų5864.6 Ų64.641%0.40635%0.353SS..Hα-helixtrans-61.1-48.2177.2-68.60000111.5T40 D41 Y42 I46 A47 T48T40-S44 WeakPolarHBondContact O-CB 3.43Å; T40-S44 PolarHBondContact O-N 3.27Å; T40-S44 PolarHBondContact O-OG 3.17Å; D41-S44 PolarHBondContact O-N 3.23Å; Y42-S44 PolarHBondContact O-N 3.37Å; S44-I46 VanDerWaalsContact C-N 3.34Å; S44-I46 PolarHBondContact O-N 3.11Å; S44-A47 PolarHBondContact O-N 2.97Å; S44-T48 WeakPolarHBondContact O-CB 3.48Å; S44-T48 PolarHBondContact O-N 3.23Å; S44-T48 PolarHBondContact O-OG1 3.4Å
45I84.1Confident81.1Confident0 Ų063.5 Ų63.50%034%0.336CS..Hα-helixtrans-62.6-43.1-179.3-64.9160000110.5I26 I37 D41 Y42 S49 C60 L61 C64I26-I45 HydrophobicContact CD1-CB 3.75Å; I26-I45 HydrophobicContact CD1-CD1 4.16Å; I26-I45 HydrophobicContact CD1-CG2 3.66Å; I26-I45 HydrophobicContact CG1-CD1 4.49Å; I37-I45 HydrophobicContact CD1-CD1 4.35Å; D41-I45 WeakPolarHBondContact O-CD1 3.32Å; D41-I45 WeakPolarHBondContact O-CG1 3.14Å; D41-I45 PolarHBondContact O-N 3.36Å; Y42-I45 PolarHBondContact O-N 3.02Å; I45-S49 WeakPolarHBondContact O-CB 3.48Å; I45-S49 PolarHBondContact O-N 3.03Å; I45-C60 HydrophobicContact CG1-CB 4.37Å; I45-L61 HydrophobicContact CD1-CB 3.96Å; I45-L61 HydrophobicContact CD1-CD1 4.34Å; I45-L61 HydrophobicContact CD1-CG 4.28Å; I45-L61 HydrophobicContact CG1-CB 4.18Å; I45-L61 HydrophobicContact CG2-CB 4.16Å; I45-L61 HydrophobicContact CG2-CD1 4.47Å; I45-C64 HydrophobicContact CD1-CB 4.41Å
46I86.2Confident80.8Confident35 Ų3560.5 Ų60.518%0.17932%0.317CS..Hα-helixtrans-63.3-49176.9-70.7-176.3000110.9M23 I26 Y42 E43 S44 T48 S49 Q50M23-I46 HydrophobicContact CE-CB 4.22Å; M23-I46 HydrophobicContact CE-CG1 4Å; M23-I46 HydrophobicContact CE-CG2 4.09Å; M23-I46 HydrophobicContact SD-CG1 3.96Å; I26-I46 HydrophobicContact CD1-CG1 4.05Å; Y42-I46 HydrophobicContact CD1-CD1 3.81Å; Y42-I46 HydrophobicContact CE1-CD1 3.18Å; Y42-I46 HydrophobicContact CE1-CG1 4.31Å; Y42-I46 HydrophobicContact CE2-CD1 4.24Å; Y42-I46 VanDerWaalsContact CZ-CD1 3.41Å; Y42-I46 WeakPolarHBondContact O-CG1 3.5Å; Y42-I46 PolarHBondContact O-N 2.64Å; E43-I46 PolarHBondContact O-N 2.83Å; S44-I46 VanDerWaalsContact C-N 3.34Å; S44-I46 PolarHBondContact O-N 3.11Å; I46-T48 PolarHBondContact O-N 2.97Å; I46-S49 PolarHBondContact O-N 2.83Å; I46-Q50 HydrophobicContact CG2-CG 4.39Å; I46-Q50 WeakPolarHBondContact O-CB 3.39Å; I46-Q50 WeakPolarHBondContact O-CG 3.17Å; I46-Q50 PolarHBondContact O-N 3.37Å
47A82.9Confident80.6Confident55 Ų5560 Ų6046%0.45532%0.315SS..Hα-helixtrans-60.3-46.9-179.900000111.2E43 S44 Q50 R51E43-A47 VanDerWaalsContact O-CB 3.24Å; E43-A47 WeakPolarHBondContact O-CB 3.18Å; E43-A47 PolarHBondContact O-N 2.85Å; S44-A47 PolarHBondContact O-N 2.97Å; A47-Q50 PolarHBondContact O-N 3.34Å; A47-R51 VanDerWaalsContact O-CB 3.23Å; A47-R51 WeakPolarHBondContact O-CB 3.19Å; A47-R51 PolarHBondContact O-N 3.49Å
48T78Confident80.5Confident30 Ų3059.9 Ų59.918%0.18431%0.314CS..Hα-helixtrans-62.2-45.3176.2-51.90000111.1S44 I46 Q50 R51 E52 A56 C60S44-T48 WeakPolarHBondContact O-CB 3.48Å; S44-T48 PolarHBondContact O-N 3.23Å; S44-T48 PolarHBondContact O-OG1 3.4Å; I46-T48 PolarHBondContact O-N 2.97Å; T48-Q50 VanDerWaalsContact C-N 3.34Å; T48-Q50 PolarHBondContact O-N 2.79Å; T48-R51 PolarHBondContact O-N 3.48Å; T48-E52 WeakPolarHBondContact CG2-OE2 3.39Å; T48-E52 PolarHBondContact O-N 3.26Å; T48-A56 HydrophobicContact CG2-CB 3.93Å; T48-C60 HydrophobicContact CG2-CB 4.04Å
49S83.8Confident80Confident16 Ų1662.2 Ų62.211%0.11232%0.318CS..Hα-helixtrans-64.6-36.4180-172.20000112.8I45 I46 G53I45-S49 WeakPolarHBondContact O-CB 3.48Å; I45-S49 PolarHBondContact O-N 3.03Å; I46-S49 PolarHBondContact O-N 2.83Å; S49-G53 CarbonylContact O-C 3.51Å; S49-G53 VanDerWaalsContact O-C 3.29Å; S49-G53 WeakPolarHBondContact O-CA 3.43Å; S49-G53 PolarHBondContact O-N 3.28Å
50Q83.1Confident79.8Confident150 Ų15058.5 Ų58.570%0.70129%0.294SS*.Hα-helixtrans-75.9-36.6177.3-72.3179.4-1.400112.1M23 I46 A47 T48M23-Q50 HydrophobicContact CE-CG 4.35Å; I46-Q50 HydrophobicContact CG2-CG 4.39Å; I46-Q50 WeakPolarHBondContact O-CB 3.39Å; I46-Q50 WeakPolarHBondContact O-CG 3.17Å; I46-Q50 PolarHBondContact O-N 3.37Å; A47-Q50 PolarHBondContact O-N 3.34Å; T48-Q50 VanDerWaalsContact C-N 3.34Å; T48-Q50 PolarHBondContact O-N 2.79Å
51R74Confident79.9Confident168 Ų16854 Ų5463%0.63427%0.266SS*.Hα-helixtrans-80.4-45.6-176.3-165.2178.895.3148.67.6113.1A47 T48 D503 N505A47-R51 VanDerWaalsContact O-CB 3.23Å; A47-R51 WeakPolarHBondContact O-CB 3.19Å; A47-R51 PolarHBondContact O-N 3.49Å; T48-R51 PolarHBondContact O-N 3.48Å; R51-D503 IonicContact NH2-OD1 2.72Å; R51-D503 PolarHBondContact NH2-OD1 3.45Å; R51-N505 PolarHBondContact NH2-ND2 3.45Å; R51-N505 VanDerWaalsContact NH2-ND2 3.18Å
52E67.4Low80Confident61 Ų6153 Ų5329%0.28526%0.261SS..Hα-helixtrans-113.2-1.7-169.7-71.4147.9-147.300112.7T48 A56 D503T48-E52 WeakPolarHBondContact CG2-OE2 3.39Å; T48-E52 PolarHBondContact O-N 3.26Å; E52-A56 HydrophobicContact CB-CB 3.42Å; E52-A56 VanDerWaalsContact CB-CB 3.42Å; E52-D503 VanDerWaalsContact OE2-CG 3.23Å
53G74.7Confident79.5Confident31 Ų3150.9 Ų50.932%0.3226%0.257SS..  trans90.9172.8175.600000113.9S49 R55 A56 G57S49-G53 CarbonylContact O-C 3.51Å; S49-G53 VanDerWaalsContact O-C 3.29Å; S49-G53 WeakPolarHBondContact O-CA 3.43Å; S49-G53 PolarHBondContact O-N 3.28Å; G53-R55 VanDerWaalsContact C-N 3.32Å; G53-R55 PolarHBondContact O-N 2.92Å; G53-R55 VanDerWaalsContact O-N 3.17Å; G53-A56 PolarHBondContact O-N 3.46Å; G53-A56 VanDerWaalsContact O-N 3.08Å; G53-G57 PolarHBondContact O-N 3.19Å; G53-G57 VanDerWaalsContact O-N 3.16Å
54R82Confident79.3Confident80 Ų8044.6 Ų44.630%0.30223%0.229SC..Hα-helixtrans-47.1-49.2-173.2179.9-179.172.1100.2-9.7113.9S18 L20 E21 A56 G57 V58S18-R54 PolarHBondContact O-NH1 3.09Å; S18-R54 PolarHBondContact O-NH2 3.22Å; L20-R54 PolarHBondContact O-NH1 3.03Å; E21-R54 HydrophobicContact CG-CG 4.03Å; E21-R54 WeakPolarHBondContact OE1-CD 3.32Å; E21-R54 IonicContact OE1-NE 3.48Å; R54-A56 VanDerWaalsContact C-N 3.33Å; R54-A56 PolarHBondContact O-N 2.85Å; R54-G57 PolarHBondContact O-N 3.45Å; R54-V58 WeakPolarHBondContact O-CG2 3.47Å; R54-V58 PolarHBondContact O-N 3.39Å
55R77.2Confident79.2Confident81 Ų8141.9 Ų41.931%0.30621%0.21SC..Hα-helixtrans-64.1-37.1-175.2-68.3-175.2176.3-175.7-3.2112.4V17 G53 R59V17-R55 HydrophobicContact CG1-CB 3.68Å; V17-R55 HydrophobicContact CG1-CG 3.85Å; G53-R55 VanDerWaalsContact C-N 3.32Å; G53-R55 PolarHBondContact O-N 2.92Å; G53-R55 VanDerWaalsContact O-N 3.17Å; R55-R59 WeakPolarHBondContact O-CG 3.44Å; R55-R59 PolarHBondContact O-N 3.18Å
56A69.1Low79Confident14 Ų1443 Ų4312%0.11622%0.216CC..Hα-helixtrans-70.1-40.7176.600000111T48 E52 G53 R54 V58 R59 C60T48-A56 HydrophobicContact CG2-CB 3.93Å; E52-A56 HydrophobicContact CB-CB 3.42Å; E52-A56 VanDerWaalsContact CB-CB 3.42Å; G53-A56 PolarHBondContact O-N 3.46Å; G53-A56 VanDerWaalsContact O-N 3.08Å; R54-A56 VanDerWaalsContact C-N 3.33Å; R54-A56 PolarHBondContact O-N 2.85Å; A56-V58 VanDerWaalsContact C-N 3.34Å; A56-V58 PolarHBondContact O-N 3.13Å; A56-R59 PolarHBondContact O-N 3.23Å; A56-R59 VanDerWaalsContact O-N 3.17Å; A56-C60 WeakPolarHBondContact O-CB 3.37Å; A56-C60 PolarHBondContact O-N 3.37Å
57G73.5Confident78.6Confident0 Ų047.7 Ų47.70%023%0.231CC..Hα-helixtrans-54.1-46.4171.400000113G53 R54 R59 C60 L61G53-G57 PolarHBondContact O-N 3.19Å; G53-G57 VanDerWaalsContact O-N 3.16Å; R54-G57 PolarHBondContact O-N 3.45Å; G57-R59 PolarHBondContact O-N 2.96Å; G57-C60 WeakPolarHBondContact O-CB 3.29Å; G57-C60 PolarHBondContact O-N 3.41Å; G57-L61 WeakPolarHBondContact O-CB 3.4Å; G57-L61 PolarHBondContact O-N 3.38Å
58V80.6Confident78.3Confident0 Ų048.4 Ų48.40%022%0.222CC..Hα-helixtrans-63-42.6176.4175.60000112.1V17 L20 R54 A56 C60 L61 I62V17-V58 HydrophobicContact CG2-CG1 4.14Å; L20-V58 HydrophobicContact CB-CG1 4.25Å; L20-V58 HydrophobicContact CB-CG2 4.28Å; L20-V58 HydrophobicContact CD2-CG1 4.15Å; L20-V58 VanDerWaalsContact O-CG2 3.25Å; L20-V58 WeakPolarHBondContact O-CG2 3.19Å; R54-V58 WeakPolarHBondContact O-CG2 3.47Å; R54-V58 PolarHBondContact O-N 3.39Å; A56-V58 VanDerWaalsContact C-N 3.34Å; A56-V58 PolarHBondContact O-N 3.13Å; V58-C60 VanDerWaalsContact C-N 3.34Å; V58-C60 PolarHBondContact O-N 3.48Å; V58-L61 PolarHBondContact O-N 2.95Å; V58-I62 HydrophobicContact CG1-CG1 4.37Å; V58-I62 WeakPolarHBondContact O-CG1 3.35Å; V58-I62 PolarHBondContact O-N 3.41Å
59R75.1Confident78Confident97 Ų9753 Ų5337%0.36626%0.255SS..Hα-helixtrans-62.9-42.4176.3-69.4179.2-170122.4-0.9111.8V17 R55 A56 G57 L61 I62 A63 N282V17-R59 HydrophobicContact CG2-CG 3.69Å; R55-R59 WeakPolarHBondContact O-CG 3.44Å; R55-R59 PolarHBondContact O-N 3.18Å; A56-R59 PolarHBondContact O-N 3.23Å; A56-R59 VanDerWaalsContact O-N 3.17Å; G57-R59 PolarHBondContact O-N 2.96Å; R59-L61 VanDerWaalsContact C-N 3.34Å; R59-I62 PolarHBondContact O-N 3.32Å; R59-A63 WeakPolarHBondContact O-CB 3.32Å; R59-A63 PolarHBondContact O-N 3.48Å; R59-N282 PolarHBondContact NH2-ND2 2.9Å
60C76.3Confident77.8Confident26 Ų2656.7 Ų56.718%0.17627%0.27CS..Hα-helixtrans-60.1-46.1175.7-169.60000110.7I45 T48 A56 G57 V58 I62 A63 C64I45-C60 HydrophobicContact CG1-CB 4.37Å; T48-C60 HydrophobicContact CG2-CB 4.04Å; A56-C60 WeakPolarHBondContact O-CB 3.37Å; A56-C60 PolarHBondContact O-N 3.37Å; G57-C60 WeakPolarHBondContact O-CB 3.29Å; G57-C60 PolarHBondContact O-N 3.41Å; V58-C60 VanDerWaalsContact C-N 3.34Å; V58-C60 PolarHBondContact O-N 3.48Å; C60-I62 PolarHBondContact O-N 2.85Å; C60-A63 PolarHBondContact O-N 3.47Å; C60-C64 PolarHBondContact O-N 3.04Å; C60-C64 PolarHBondContact O-SG 3.46Å; C60-C64 VanDerWaalsContact O-SG 3.33Å
61L86.8Confident77.7Confident0 Ų050.5 Ų50.50%024%0.242CC..Hα-helixtrans-58.8-48.1175.9177.2141000112.2L20 I25 L29 I45 G57 V58 R59 A63 C64 L65 F78L20-L61 HydrophobicContact CD2-CD2 4.45Å; I25-L61 HydrophobicContact CD1-CD1 3.83Å; I25-L61 HydrophobicContact CD1-CD2 3.86Å; I25-L61 HydrophobicContact CG1-CD1 4.03Å; L29-L61 HydrophobicContact CD1-CD1 3.53Å; L29-L61 HydrophobicContact CD1-CD2 4.36Å; L29-L61 HydrophobicContact CD1-CG 4.02Å; I45-L61 HydrophobicContact CD1-CB 3.96Å; I45-L61 HydrophobicContact CD1-CD1 4.34Å; I45-L61 HydrophobicContact CD1-CG 4.28Å; I45-L61 HydrophobicContact CG1-CB 4.18Å; I45-L61 HydrophobicContact CG2-CB 4.16Å; I45-L61 HydrophobicContact CG2-CD1 4.47Å; G57-L61 WeakPolarHBondContact O-CB 3.4Å; G57-L61 PolarHBondContact O-N 3.38Å; V58-L61 PolarHBondContact O-N 2.95Å; R59-L61 VanDerWaalsContact C-N 3.34Å; L61-A63 VanDerWaalsContact C-N 3.34Å; L61-A63 PolarHBondContact O-N 3.44Å; L61-C64 PolarHBondContact O-N 3.47Å; L61-L65 HydrophobicContact CD2-CD1 3.76Å; L61-L65 HydrophobicContact CG-CD1 4.4Å; L61-L65 WeakPolarHBondContact O-CG 3.17Å; L61-L65 PolarHBondContact O-N 2.94Å; L61-F78 HydrophobicContact CD2-CE2 4.3Å
62I86.9Confident78Confident3 Ų348.4 Ų48.42%0.01524%0.24CC..Hα-helixtrans-62.8-41.7177.3-66-67.8000110.9I9 L13 L16 V58 R59 C60 C64 L65 L66 F78I9-I62 HydrophobicContact CG2-CD1 4.1Å; I9-I62 HydrophobicContact CG2-CG2 3.5Å; I9-I62 VanDerWaalsContact CG2-CG2 3.5Å; L13-I62 HydrophobicContact CD1-CB 4.18Å; L13-I62 HydrophobicContact CD1-CG1 4.09Å; L13-I62 HydrophobicContact CD1-CG2 3.83Å; L16-I62 HydrophobicContact CD1-CD1 3.96Å; V58-I62 HydrophobicContact CG1-CG1 4.37Å; V58-I62 WeakPolarHBondContact O-CG1 3.35Å; V58-I62 PolarHBondContact O-N 3.41Å; R59-I62 PolarHBondContact O-N 3.32Å; C60-I62 PolarHBondContact O-N 2.85Å; I62-C64 VanDerWaalsContact C-N 3.34Å; I62-C64 PolarHBondContact O-N 3.26Å; I62-L65 HydrophobicContact CD1-CD1 4.46Å; I62-L65 PolarHBondContact O-N 3.34Å; I62-L66 HydrophobicContact CG2-CD1 3.68Å; I62-L66 HydrophobicContact CG2-CG 4.16Å; I62-L66 WeakPolarHBondContact O-CB 3.36Å; I62-L66 VanDerWaalsContact O-CG 3.25Å; I62-L66 WeakPolarHBondContact O-CG 3.28Å; I62-L66 PolarHBondContact O-N 3.28Å; I62-F78 HydrophobicContact CD1-CE1 4.15Å; I62-F78 HydrophobicContact CD1-CZ 3.94Å
63A77.5Confident78.7Confident23 Ų2351.5 Ų51.519%0.1925%0.252CS..Hα-helixtrans-62.6-40176.600000112.4R59 C60 L61 L66 R67 L380R59-A63 WeakPolarHBondContact O-CB 3.32Å; R59-A63 PolarHBondContact O-N 3.48Å; C60-A63 PolarHBondContact O-N 3.47Å; L61-A63 VanDerWaalsContact C-N 3.34Å; L61-A63 PolarHBondContact O-N 3.44Å; A63-L66 PolarHBondContact O-N 2.97Å; A63-R67 PolarHBondContact O-N 3.34Å; A63-R67 VanDerWaalsContact O-N 3.17Å; A63-L380 HydrophobicContact CB-CD2 4.07Å
64C81.9Confident79.2Confident8 Ų850.6 Ų50.65%0.05424%0.24CC..Hα-helixtrans-63-42.4173.9-720000111.8I37 D41 I45 C60 L61 I62 R67I37-C64 HydrophobicContact CG2-CB 4.45Å; D41-C64 HydrophobicContact CB-CB 4.2Å; D41-C64 VanDerWaalsContact CG-SG 3.55Å; I45-C64 HydrophobicContact CD1-CB 4.41Å; C60-C64 PolarHBondContact O-N 3.04Å; C60-C64 PolarHBondContact O-SG 3.46Å; C60-C64 VanDerWaalsContact O-SG 3.33Å; L61-C64 PolarHBondContact O-N 3.47Å; I62-C64 VanDerWaalsContact C-N 3.34Å; I62-C64 PolarHBondContact O-N 3.26Å; C64-R67 PolarHBondContact O-N 3.5Å
65L82.8Confident79.4Confident2 Ų246.9 Ų46.91%0.0123%0.226CC..Hα-helixtrans-64.4-44.5176.6-69.2170.5000112L29 L36 I37 L61 I62 R67 R68 I71 V74 F78L29-L65 HydrophobicContact CD2-CD2 4.08Å; L36-L65 HydrophobicContact CB-CD2 4.32Å; I37-L65 HydrophobicContact CG2-CD2 4.41Å; L61-L65 HydrophobicContact CD2-CD1 3.76Å; L61-L65 HydrophobicContact CG-CD1 4.4Å; L61-L65 WeakPolarHBondContact O-CG 3.17Å; L61-L65 PolarHBondContact O-N 2.94Å; I62-L65 HydrophobicContact CD1-CD1 4.46Å; I62-L65 PolarHBondContact O-N 3.34Å; L65-R67 PolarHBondContact O-N 3.47Å; L65-R68 WeakPolarHBondContact O-CB 3.47Å; L65-R68 PolarHBondContact O-N 3.02Å; L65-I71 VanDerWaalsContact O-CD1 3.31Å; L65-I71 WeakPolarHBondContact O-CD1 3.28Å; L65-V74 HydrophobicContact CB-CG1 4.21Å; L65-V74 HydrophobicContact CD2-CG1 3.69Å; L65-F78 HydrophobicContact CD1-CD1 4.48Å; L65-F78 HydrophobicContact CD1-CD2 3.73Å; L65-F78 HydrophobicContact CD1-CE2 3.89Å; L65-F78 HydrophobicContact CD1-CG 4.05Å; L65-F78 HydrophobicContact CD1-CZ 4.32Å
66L80.1Confident79.9Confident24 Ų2451.3 Ų51.313%0.12624%0.243CC..Hα-helixtrans-66.2-22.3179.8-68.1170000113.1E6 I9 M10 I62 A63 R68 I71E6-L66 HydrophobicContact CB-CD2 4.06Å; E6-L66 HydrophobicContact CG-CD2 3.73Å; I9-L66 HydrophobicContact CB-CD2 4.39Å; I9-L66 HydrophobicContact CD1-CD2 3.84Å; I9-L66 HydrophobicContact CG2-CD1 4.49Å; I9-L66 HydrophobicContact CG2-CD2 4.37Å; M10-L66 HydrophobicContact SD-CD1 3.95Å; I62-L66 HydrophobicContact CG2-CD1 3.68Å; I62-L66 HydrophobicContact CG2-CG 4.16Å; I62-L66 WeakPolarHBondContact O-CB 3.36Å; I62-L66 VanDerWaalsContact O-CG 3.25Å; I62-L66 WeakPolarHBondContact O-CG 3.28Å; I62-L66 PolarHBondContact O-N 3.28Å; A63-L66 PolarHBondContact O-N 2.97Å; L66-R68 VanDerWaalsContact C-N 3.29Å; L66-R68 PolarHBondContact O-N 2.78Å; L66-I71 HydrophobicContact CD2-CD1 4.35Å
67R77.2Confident80.7Confident132 Ų13252.5 Ų52.550%0.49825%0.25SS..THydrogen-bonded Turntrans-74.7-12.5176.3-98.3-179.8-172.91641.6114.6A63 C64 L65 S379A63-R67 PolarHBondContact O-N 3.34Å; A63-R67 VanDerWaalsContact O-N 3.17Å; C64-R67 PolarHBondContact O-N 3.5Å; L65-R67 PolarHBondContact O-N 3.47Å; R67-S379 PolarHBondContact NE-OG 3.24Å; R67-S379 PolarHBondContact NH2-OG 3.02Å
68R77.2Confident81.5Confident71 Ų7152.5 Ų52.527%0.26825%0.251SS..  trans-77.2137.4-173.2-64.1-67.4173.4-167.1-8.6111.5L36 T38 D41 L65 L66 E70 V74L36-R68 PolarHBondContact O-NE 3.42Å; T38-R68 VanDerWaalsContact CG2-NH2 3.34Å; T38-R68 PolarHBondContact OG1-NH2 2.99Å; D41-R68 IonicContact OD2-CZ 3.84Å; D41-R68 IonicContact OD2-NE 3.94Å; D41-R68 IonicContact OD2-NH2 3.9Å; D41-R68 PolarHBondContact OD2-NH2 3.21Å; L65-R68 WeakPolarHBondContact O-CB 3.47Å; L65-R68 PolarHBondContact O-N 3.02Å; L66-R68 VanDerWaalsContact C-N 3.29Å; L66-R68 PolarHBondContact O-N 2.78Å; R68-E70 VanDerWaalsContact C-N 3.31Å; R68-E70 PolarHBondContact O-N 2.74Å; R68-V74 HydrophobicContact CB-CG2 3.76Å; R68-V74 HydrophobicContact CG-CG2 4.23Å
69S70.9Confident82Confident125 Ų12553 Ų5387%0.87425%0.253SS*.THydrogen-bonded Turntrans-65.4-28.2-176.648.40000114.3
70E79.2Confident82.5Confident94 Ų9453.2 Ų53.244%0.43926%0.261SS..THydrogen-bonded Turntrans-10355.1178-64.1-165.6148.800112.1R68 Q72 K73 V74R68-E70 VanDerWaalsContact C-N 3.31Å; R68-E70 PolarHBondContact O-N 2.74Å; E70-Q72 PolarHBondContact O-N 3.26Å; E70-K73 PolarHBondContact O-N 3.36Å; E70-K73 IonicContact OE1-NZ 3.56Å; E70-K73 PolarHBondContact OE1-NZ 3.22Å; E70-K73 VanDerWaalsContact OE2-CD 3.28Å; E70-K73 WeakPolarHBondContact OE2-CD 3.38Å; E70-K73 WeakPolarHBondContact OE2-CE 3.49Å; E70-K73 IonicContact OE2-NZ 3.95Å; E70-K73 PolarHBondContact OE2-NZ 3.39Å; E70-V74 WeakPolarHBondContact O-CG2 3.47Å; E70-V74 PolarHBondContact O-N 2.91Å; E70-V74 VanDerWaalsContact O-N 3.09Å
71I81Confident83.1Confident20 Ų2053 Ų5310%0.10326%0.258CS..Hα-helixtrans-54-31.4-172.2-161.462.5000113.8E5 E6 L65 L66 V74 F75E5-I71 HydrophobicContact CB-CG1 4.49Å; E6-I71 HydrophobicContact CG-CG1 3.92Å; L65-I71 VanDerWaalsContact O-CD1 3.31Å; L65-I71 WeakPolarHBondContact O-CD1 3.28Å; L66-I71 HydrophobicContact CD2-CD1 4.35Å; I71-V74 PolarHBondContact O-N 3.5Å; I71-F75 WeakPolarHBondContact O-CB 3.27Å; I71-F75 PolarHBondContact O-N 3.01Å
72Q80.4Confident83.3Confident125 Ų12553 Ų5358%0.58426%0.258SS*.Hα-helixtrans-63.1-44.8176.1-76.9179.5-13.600113.8E5 E70 R76E5-Q72 HydrophobicContact CG-CG 4.3Å; E5-Q72 WeakPolarHBondContact OE1-CG 3.43Å; E70-Q72 PolarHBondContact O-N 3.26Å; Q72-R76 PolarHBondContact O-N 2.99Å
73K82Confident83.2Confident125 Ų12558.8 Ų58.854%0.54328%0.283SS..Hα-helixtrans-71.4-40.6177.4-64.9-169.6-158.11500110.1E70 F75 R76 S77E70-K73 PolarHBondContact O-N 3.36Å; E70-K73 IonicContact OE1-NZ 3.56Å; E70-K73 PolarHBondContact OE1-NZ 3.22Å; E70-K73 VanDerWaalsContact OE2-CD 3.28Å; E70-K73 WeakPolarHBondContact OE2-CD 3.38Å; E70-K73 WeakPolarHBondContact OE2-CE 3.49Å; E70-K73 IonicContact OE2-NZ 3.95Å; E70-K73 PolarHBondContact OE2-NZ 3.39Å; K73-F75 PolarHBondContact O-N 2.88Å; K73-R76 PolarHBondContact O-N 3.1Å; K73-S77 PolarHBondContact O-N 2.87Å; K73-S77 PolarHBondContact O-OG 3.28Å
74V85Confident83.3Confident12 Ų1265 Ų657%0.07331%0.309CS..Hα-helixtrans-59.8-47.4177.7173.10000111L36 L65 R68 E70 I71 R76 S77 F78L36-V74 HydrophobicContact CD2-CB 3.97Å; L36-V74 HydrophobicContact CD2-CG1 4.04Å; L36-V74 HydrophobicContact CD2-CG2 3.73Å; L65-V74 HydrophobicContact CB-CG1 4.21Å; L65-V74 HydrophobicContact CD2-CG1 3.69Å; R68-V74 HydrophobicContact CB-CG2 3.76Å; R68-V74 HydrophobicContact CG-CG2 4.23Å; E70-V74 WeakPolarHBondContact O-CG2 3.47Å; E70-V74 PolarHBondContact O-N 2.91Å; E70-V74 VanDerWaalsContact O-N 3.09Å; I71-V74 PolarHBondContact O-N 3.5Å; V74-R76 PolarHBondContact O-N 2.87Å; V74-S77 PolarHBondContact O-N 2.93Å; V74-F78 VanDerWaalsContact O-CB 3.27Å; V74-F78 WeakPolarHBondContact O-CB 3.33Å; V74-F78 PolarHBondContact O-N 3.33Å
75F87.4Confident83.2Confident2 Ų269.9 Ų69.91%0.00933%0.334CS..Hα-helixtrans-61-44.5178.1-177.5-107.2000112.2E5 A8 I9 I71 K73 F78 L79 L93 Y97E5-F75 HydrophobicContact CB-CB 3.88Å; E5-F75 HydrophobicContact CB-CD1 4.05Å; E5-F75 HydrophobicContact CB-CD2 4.11Å; E5-F75 HydrophobicContact CB-CG 3.75Å; E5-F75 HydrophobicContact CG-CB 3.81Å; E5-F75 HydrophobicContact CG-CD1 3.63Å; E5-F75 HydrophobicContact CG-CE1 4.35Å; E5-F75 HydrophobicContact CG-CG 3.75Å; A8-F75 HydrophobicContact CB-CE2 4.24Å; A8-F75 HydrophobicContact CB-CZ 3.98Å; I9-F75 HydrophobicContact CD1-CD2 3.8Å; I9-F75 HydrophobicContact CD1-CE2 4.26Å; I9-F75 HydrophobicContact CG1-CD2 3.82Å; I9-F75 HydrophobicContact CG1-CE2 3.74Å; I71-F75 WeakPolarHBondContact O-CB 3.27Å; I71-F75 PolarHBondContact O-N 3.01Å; K73-F75 PolarHBondContact O-N 2.88Å; F75-F78 PolarHBondContact O-N 3.32Å; F75-L79 HydrophobicContact CD1-CD1 3.88Å; F75-L79 HydrophobicContact CD1-CG 4.49Å; F75-L79 HydrophobicContact CE1-CD1 3.39Å; F75-L79 HydrophobicContact CE1-CG 4.13Å; F75-L79 HydrophobicContact CE2-CG 4.48Å; F75-L79 HydrophobicContact CZ-CD1 3.77Å; F75-L79 HydrophobicContact CZ-CD2 4.45Å; F75-L79 HydrophobicContact CZ-CG 4.12Å; F75-L79 WeakPolarHBondContact O-CB 3.47Å; F75-L79 WeakPolarHBondContact O-CG 3.33Å; F75-L79 PolarHBondContact O-N 3.46Å; F75-L93 HydrophobicContact CE2-CD2 4.45Å; F75-Y97 HydrophobicContact CD1-CD2 4.48Å; F75-Y97 HydrophobicContact CE1-CD1 4.26Å; F75-Y97 AromaticContact CE1-CD2 3.77Å; F75-Y97 HydrophobicContact CE1-CD2 3.77Å; F75-Y97 HydrophobicContact CE1-CE2 4.28Å; F75-Y97 AromaticContact CE1-CG 3.75Å; F75-Y97 HydrophobicContact CE1-CG 3.75Å; F75-Y97 HydrophobicContact CZ-CD2 4.28Å; F75-Y97 HydrophobicContact CZ-CG 4.25Å
76R86.6Confident83.5Confident174 Ų17470.9 Ų70.966%0.65734%0.338SS*.Hα-helixtrans-62.6-44.6175.3-90.4-177.1173.9161.4-1.2112.8Q72 K73 V74 F78 L79 N80Q72-R76 PolarHBondContact O-N 2.99Å; K73-R76 PolarHBondContact O-N 3.1Å; V74-R76 PolarHBondContact O-N 2.87Å; R76-F78 VanDerWaalsContact C-N 3.33Å; R76-L79 PolarHBondContact O-N 3.45Å; R76-N80 PolarHBondContact O-N 3.15Å; R76-N80 PolarHBondContact O-ND2 2.99Å
77S86.8Confident83.8Confident39 Ų3973.1 Ų73.127%0.27336%0.355SS..Hα-helixtrans-66.9-38.1178-61.80000111.5K73 V74 N80 I81K73-S77 PolarHBondContact O-N 2.87Å; K73-S77 PolarHBondContact O-OG 3.28Å; V74-S77 PolarHBondContact O-N 2.93Å; S77-N80 PolarHBondContact O-N 3.34Å; S77-I81 WeakPolarHBondContact O-CG1 3.43Å; S77-I81 PolarHBondContact O-N 3.48Å
78F90.1Very high84.3Confident1 Ų171.2 Ų71.20%0.00435%0.352CS..Hα-helixtrans-61.9-46.9174.1-179.3-121.6000111.7L16 L20 I25 L29 L61 I62 L65 V74 F75 R76 N80 I81 L82 L93L16-F78 HydrophobicContact CD2-CE1 4.36Å; L16-F78 HydrophobicContact CD2-CZ 4.25Å; L20-F78 HydrophobicContact CD2-CE2 4.38Å; L20-F78 HydrophobicContact CD2-CZ 4.07Å; I25-F78 HydrophobicContact CD1-CE2 3.84Å; L29-F78 HydrophobicContact CD2-CD2 4.38Å; L61-F78 HydrophobicContact CD2-CE2 4.3Å; I62-F78 HydrophobicContact CD1-CE1 4.15Å; I62-F78 HydrophobicContact CD1-CZ 3.94Å; L65-F78 HydrophobicContact CD1-CD1 4.48Å; L65-F78 HydrophobicContact CD1-CD2 3.73Å; L65-F78 HydrophobicContact CD1-CE2 3.89Å; L65-F78 HydrophobicContact CD1-CG 4.05Å; L65-F78 HydrophobicContact CD1-CZ 4.32Å; V74-F78 VanDerWaalsContact O-CB 3.27Å; V74-F78 WeakPolarHBondContact O-CB 3.33Å; V74-F78 PolarHBondContact O-N 3.33Å; F75-F78 PolarHBondContact O-N 3.32Å; R76-F78 VanDerWaalsContact C-N 3.33Å; F78-N80 VanDerWaalsContact C-N 3.3Å; F78-N80 PolarHBondContact O-N 3.15Å; F78-I81 PolarHBondContact O-N 3.34Å; F78-I81 VanDerWaalsContact O-N 3.17Å; F78-L82 HydrophobicContact CD1-CD1 4.05Å; F78-L82 HydrophobicContact CD2-CG 4.48Å; F78-L82 HydrophobicContact CE1-CD1 3.62Å; F78-L82 HydrophobicContact CE1-CG 4.36Å; F78-L82 HydrophobicContact CE2-CD1 4.29Å; F78-L82 HydrophobicContact CE2-CD2 4.16Å; F78-L82 HydrophobicContact CE2-CG 4.17Å; F78-L82 HydrophobicContact CZ-CD1 3.75Å; F78-L82 HydrophobicContact CZ-CD2 4.12Å; F78-L82 HydrophobicContact CZ-CG 4.11Å; F78-L82 WeakPolarHBondContact O-CG 3.4Å; F78-L82 PolarHBondContact O-N 3.37Å; F78-L93 HydrophobicContact CE1-CD1 4.07Å
79L90.1Very high84.9Confident9 Ų967.9 Ų67.95%0.04734%0.339CS..Hα-helixtrans-56.6-43.6172.5-82.1176.9000111.9F75 R76 I81 L82 K83 F90 L93F75-L79 HydrophobicContact CD1-CD1 3.88Å; F75-L79 HydrophobicContact CD1-CG 4.49Å; F75-L79 HydrophobicContact CE1-CD1 3.39Å; F75-L79 HydrophobicContact CE1-CG 4.13Å; F75-L79 HydrophobicContact CE2-CG 4.48Å; F75-L79 HydrophobicContact CZ-CD1 3.77Å; F75-L79 HydrophobicContact CZ-CD2 4.45Å; F75-L79 HydrophobicContact CZ-CG 4.12Å; F75-L79 WeakPolarHBondContact O-CB 3.47Å; F75-L79 WeakPolarHBondContact O-CG 3.33Å; F75-L79 PolarHBondContact O-N 3.46Å; R76-L79 PolarHBondContact O-N 3.45Å; L79-I81 VanDerWaalsContact C-N 3.32Å; L79-I81 PolarHBondContact O-N 2.87Å; L79-L82 PolarHBondContact O-N 3.5Å; L79-K83 PolarHBondContact O-N 2.9Å; L79-F90 HydrophobicContact CB-CD2 3.87Å; L79-F90 HydrophobicContact CB-CE2 3.91Å; L79-F90 HydrophobicContact CD2-CD2 3.67Å; L79-F90 HydrophobicContact CD2-CE2 4.12Å; L79-F90 HydrophobicContact CD2-CG 4.48Å; L79-F90 HydrophobicContact CG-CD2 4.32Å; L79-F90 HydrophobicContact CG-CE2 4.45Å; L79-F90 WeakPolarHBondContact O-CD2 3.47Å; L79-L93 HydrophobicContact CD2-CB 3.66Å; L79-L93 HydrophobicContact CD2-CD1 4.22Å
80N86.7Confident85.9Confident102 Ų10263.4 Ų63.455%0.54530%0.304SS..Hα-helixtrans-62.3-38.5177.9-74.4-21.2000112.6R76 S77 F78 K83R76-N80 PolarHBondContact O-N 3.15Å; R76-N80 PolarHBondContact O-ND2 2.99Å; S77-N80 PolarHBondContact O-N 3.34Å; F78-N80 VanDerWaalsContact C-N 3.3Å; F78-N80 PolarHBondContact O-N 3.15Å; N80-K83 WeakPolarHBondContact O-CB 3.49Å; N80-K83 PolarHBondContact O-N 3.41Å
81I88.8Confident86.3Confident22 Ų2262.9 Ų62.911%0.11330%0.304CS..Hα-helixtrans-66-43.7175.5-67.6164.2000110.4I25 H28 L29 T32 L36 S77 F78 L79 K83I25-I81 HydrophobicContact CB-CG2 3.96Å; I25-I81 HydrophobicContact CG2-CG2 3.83Å; H28-I81 HydrophobicContact CB-CD1 4.18Å; H28-I81 HydrophobicContact CB-CG1 4.22Å; H28-I81 HydrophobicContact CB-CG2 4.01Å; L29-I81 HydrophobicContact CD2-CD1 3.5Å; L29-I81 VanDerWaalsContact CD2-CD1 3.5Å; L29-I81 HydrophobicContact CG-CD1 4.05Å; T32-I81 HydrophobicContact CG2-CD1 4.28Å; L36-I81 HydrophobicContact CD1-CD1 4.07Å; S77-I81 WeakPolarHBondContact O-CG1 3.43Å; S77-I81 PolarHBondContact O-N 3.48Å; F78-I81 PolarHBondContact O-N 3.34Å; F78-I81 VanDerWaalsContact O-N 3.17Å; L79-I81 VanDerWaalsContact C-N 3.32Å; L79-I81 PolarHBondContact O-N 2.87Å; I81-K83 PolarHBondContact O-N 3.3Å
82L89.6Confident86.7Confident0 Ų065 Ų650%032%0.315CS..Hα-helixtrans-63.5-25.6177-66.5177.5000112.8L16 L20 F78 L79 E84 Y86 S87 L89 F90 L93L16-L82 HydrophobicContact CD2-CD1 4.49Å; L20-L82 HydrophobicContact CD1-CD2 3.41Å; L20-L82 VanDerWaalsContact CD1-CD2 3.41Å; L20-L82 HydrophobicContact CD2-CD2 4.46Å; F78-L82 HydrophobicContact CD1-CD1 4.05Å; F78-L82 HydrophobicContact CD2-CG 4.48Å; F78-L82 HydrophobicContact CE1-CD1 3.62Å; F78-L82 HydrophobicContact CE1-CG 4.36Å; F78-L82 HydrophobicContact CE2-CD1 4.29Å; F78-L82 HydrophobicContact CE2-CD2 4.16Å; F78-L82 HydrophobicContact CE2-CG 4.17Å; F78-L82 HydrophobicContact CZ-CD1 3.75Å; F78-L82 HydrophobicContact CZ-CD2 4.12Å; F78-L82 HydrophobicContact CZ-CG 4.11Å; F78-L82 WeakPolarHBondContact O-CG 3.4Å; F78-L82 PolarHBondContact O-N 3.37Å; L79-L82 PolarHBondContact O-N 3.5Å; L82-E84 VanDerWaalsContact C-N 3.26Å; L82-E84 PolarHBondContact O-N 2.81Å; L82-Y86 HydrophobicContact CD2-CD2 4.34Å; L82-Y86 HydrophobicContact CD2-CG 4.25Å; L82-Y86 CarbonylContact O-C 3.39Å; L82-Y86 WeakPolarHBondContact O-CA 3.44Å; L82-Y86 WeakPolarHBondContact O-CB 3.46Å; L82-Y86 PolarHBondContact O-N 3.2Å; L82-S87 PolarHBondContact O-N 2.71Å; L82-L89 HydrophobicContact CD1-CB 4.42Å; L82-F90 HydrophobicContact CB-CB 4.1Å; L82-L93 HydrophobicContact CD1-CD1 3.53Å
83K86.9Confident87.1Confident124 Ų12459 Ų5954%0.53929%0.288SS..Hα-helixtrans-63.4-30-174.3-165.5176.1-179.8178.60113.6L79 N80 I81 F90L79-K83 PolarHBondContact O-N 2.9Å; N80-K83 WeakPolarHBondContact O-CB 3.49Å; N80-K83 PolarHBondContact O-N 3.41Å; I81-K83 PolarHBondContact O-N 3.3Å; K83-F90 HydrophobicContact CB-CD2 4.16Å; K83-F90 HydrophobicContact CB-CG 4.3Å; K83-F90 HydrophobicContact CD-CE2 4.44Å; K83-F90 HydrophobicContact CD-CZ 4.36Å; K83-F90 HydrophobicContact CG-CD1 4.41Å; K83-F90 HydrophobicContact CG-CD2 4.47Å; K83-F90 HydrophobicContact CG-CG 4.4Å
84E78.8Confident87.5Confident155 Ų15555.7 Ų55.772%0.72428%0.276SS*.Hα-helixtrans-78.5-59.7-178.2-68.6-171.3159.300111.5L82L82-E84 VanDerWaalsContact C-N 3.26Å; L82-E84 PolarHBondContact O-N 2.81Å
85D80Confident87.6Confident110 Ų11062.3 Ų62.359%0.58830%0.304SS*.Hα-helixtrans-100.1-18.8-171.7-64-38.2000114.1
86Y89.7Confident87.5Confident23 Ų2363.4 Ų63.49%0.0931%0.311CS..  trans-128.844.5-172-68.2-81.4000112.1D19 L20 E21 D24 I25 L82 H88 L89 F90D19-Y86 WeakPolarHBondContact O-CE1 3.32Å; L20-Y86 HydrophobicContact CD1-CD1 3.91Å; L20-Y86 HydrophobicContact CD1-CD2 3.71Å; L20-Y86 HydrophobicContact CD1-CE1 4Å; L20-Y86 HydrophobicContact CD1-CE2 3.83Å; L20-Y86 HydrophobicContact CD1-CG 3.75Å; E21-Y86 VanDerWaalsContact CB-OH 3.32Å; E21-Y86 WeakPolarHBondContact CB-OH 3.16Å; E21-Y86 PolarHBondContact N-OH 2.95Å; D24-Y86 HydrophobicContact CB-CE2 4.28Å; D24-Y86 PolarHBondContact OD2-OH 2.94Å; I25-Y86 HydrophobicContact CG2-CD2 4.21Å; I25-Y86 HydrophobicContact CG2-CE2 4.01Å; L82-Y86 HydrophobicContact CD2-CD2 4.34Å; L82-Y86 HydrophobicContact CD2-CG 4.25Å; L82-Y86 CarbonylContact O-C 3.39Å; L82-Y86 WeakPolarHBondContact O-CA 3.44Å; L82-Y86 WeakPolarHBondContact O-CB 3.46Å; L82-Y86 PolarHBondContact O-N 3.2Å; Y86-H88 PolarHBondContact O-N 3.46Å; Y86-H88 VanDerWaalsContact O-N 3.09Å; Y86-L89 HydrophobicContact CD1-CD1 3.9Å; Y86-L89 HydrophobicContact CG-CD1 4.31Å; Y86-L89 WeakPolarHBondContact O-CB 3.43Å; Y86-L89 PolarHBondContact O-N 2.91Å; Y86-F90 PolarHBondContact O-N 3.22Å
87S85.6Confident87.7Confident70 Ų7056.6 Ų56.649%0.4929%0.285SS..Hα-helixtrans-53.5-32.9-173.658.80000114.5L82 F90 D91L82-S87 PolarHBondContact O-N 2.71Å; S87-F90 WeakPolarHBondContact O-CB 3.46Å; S87-F90 PolarHBondContact O-N 2.96Å; S87-D91 PolarHBondContact O-N 3.27Å
88H88.4Confident87.7Confident92 Ų9258.2 Ų58.243%0.42629%0.289SS..Hα-helixtrans-70.1-36.917773-69.5000112.9D19 Y86 L92D19-H88 IonicContact OD2-CD2 3.59Å; D19-H88 IonicContact OD2-CE1 3.89Å; D19-H88 IonicContact OD2-NE2 2.83Å; D19-H88 PolarHBondContact OD2-NE2 3.35Å; Y86-H88 PolarHBondContact O-N 3.46Å; Y86-H88 VanDerWaalsContact O-N 3.09Å; H88-L92 WeakPolarHBondContact O-CB 3.48Å; H88-L92 PolarHBondContact O-N 3.48Å
89L89.3Confident87.3Confident1 Ų160.8 Ų60.81%0.00531%0.306CS..Hα-helixtrans-70.6-37.9174.5-69174.7000110.8L16 D19 L20 L82 Y86 L92 L93L16-L89 HydrophobicContact CD2-CD1 4.21Å; L16-L89 HydrophobicContact CD2-CD2 4.43Å; D19-L89 HydrophobicContact CB-CD1 4.06Å; D19-L89 HydrophobicContact CB-CD2 4.24Å; D19-L89 HydrophobicContact CB-CG 4.39Å; L20-L89 HydrophobicContact CB-CD1 4.01Å; L20-L89 HydrophobicContact CD1-CD1 4.05Å; L82-L89 HydrophobicContact CD1-CB 4.42Å; Y86-L89 HydrophobicContact CD1-CD1 3.9Å; Y86-L89 HydrophobicContact CG-CD1 4.31Å; Y86-L89 WeakPolarHBondContact O-CB 3.43Å; Y86-L89 PolarHBondContact O-N 2.91Å; L89-L92 PolarHBondContact O-N 3.29Å; L89-L93 WeakPolarHBondContact O-CB 3.4Å; L89-L93 WeakPolarHBondContact O-CG 3.37Å; L89-L93 PolarHBondContact O-N 2.97Å
90F92.3Very high86.8Confident32 Ų3261 Ų6114%0.1431%0.308CS..Hα-helixtrans-56-54.9170.8168.3-92.9000110.8L79 L82 K83 Y86 S87 L92 L93 D94L79-F90 HydrophobicContact CB-CD2 3.87Å; L79-F90 HydrophobicContact CB-CE2 3.91Å; L79-F90 HydrophobicContact CD2-CD2 3.67Å; L79-F90 HydrophobicContact CD2-CE2 4.12Å; L79-F90 HydrophobicContact CD2-CG 4.48Å; L79-F90 HydrophobicContact CG-CD2 4.32Å; L79-F90 HydrophobicContact CG-CE2 4.45Å; L79-F90 WeakPolarHBondContact O-CD2 3.47Å; L82-F90 HydrophobicContact CB-CB 4.1Å; K83-F90 HydrophobicContact CB-CD2 4.16Å; K83-F90 HydrophobicContact CB-CG 4.3Å; K83-F90 HydrophobicContact CD-CE2 4.44Å; K83-F90 HydrophobicContact CD-CZ 4.36Å; K83-F90 HydrophobicContact CG-CD1 4.41Å; K83-F90 HydrophobicContact CG-CD2 4.47Å; K83-F90 HydrophobicContact CG-CG 4.4Å; Y86-F90 PolarHBondContact O-N 3.22Å; S87-F90 WeakPolarHBondContact O-CB 3.46Å; S87-F90 PolarHBondContact O-N 2.96Å; F90-L92 VanDerWaalsContact C-N 3.27Å; F90-L92 PolarHBondContact O-N 3.15Å; F90-L93 PolarHBondContact O-N 3.43Å; F90-D94 HydrophobicContact CZ-CB 4.41Å; F90-D94 VanDerWaalsContact O-CB 3.3Å; F90-D94 WeakPolarHBondContact O-CB 3.25Å; F90-D94 PolarHBondContact O-N 3.41Å
91D87.9Confident86.5Confident82 Ų8260.2 Ų60.244%0.43930%0.299SS..Hα-helixtrans-59-38.7-179.4-81.5-9.9000112.4S87 K95S87-D91 PolarHBondContact O-N 3.27Å; D91-K95 VanDerWaalsContact O-CB 3.27Å; D91-K95 WeakPolarHBondContact O-CB 3.39Å; D91-K95 VanDerWaalsContact O-CG 3.23Å; D91-K95 WeakPolarHBondContact O-CG 3.43Å; D91-K95 PolarHBondContact O-N 3.07Å
92L88.3Confident85.4Confident64 Ų6463.1 Ų63.134%0.33532%0.315SS..Hα-helixtrans-66-49178.8-170.380000111.3N12 H88 L89 F90 T96N12-L92 HydrophobicContact CB-CD2 3.98Å; N12-L92 VanDerWaalsContact OD1-CD2 3.26Å; N12-L92 WeakPolarHBondContact OD1-CD2 3.08Å; N12-L92 WeakPolarHBondContact OD1-CG 3.2Å; H88-L92 WeakPolarHBondContact O-CB 3.48Å; H88-L92 PolarHBondContact O-N 3.48Å; L89-L92 PolarHBondContact O-N 3.29Å; F90-L92 VanDerWaalsContact C-N 3.27Å; F90-L92 PolarHBondContact O-N 3.15Å; L92-T96 WeakPolarHBondContact O-CB 3.19Å; L92-T96 PolarHBondContact O-N 3.38Å; L92-T96 VanDerWaalsContact O-N 3.07Å; L92-T96 PolarHBondContact O-OG1 2.91Å
93L89.2Confident83.8Confident0 Ų070.3 Ų70.30%035%0.346CS..Hα-helixtrans-65.4-45.1179.3-79.9168.3000111.6A8 I9 N12 L16 F75 F78 L79 L82 L89 F90 T96 Y97A8-L93 WeakPolarHBondContact O-CD2 3.43Å; I9-L93 HydrophobicContact CG1-CD2 4.47Å; N12-L93 HydrophobicContact CB-CD2 3.94Å; L16-L93 HydrophobicContact CD1-CD1 4.41Å; L16-L93 HydrophobicContact CD1-CD2 4.31Å; L16-L93 HydrophobicContact CD2-CD1 3.99Å; F75-L93 HydrophobicContact CE2-CD2 4.45Å; F78-L93 HydrophobicContact CE1-CD1 4.07Å; L79-L93 HydrophobicContact CD2-CB 3.66Å; L79-L93 HydrophobicContact CD2-CD1 4.22Å; L82-L93 HydrophobicContact CD1-CD1 3.53Å; L89-L93 WeakPolarHBondContact O-CB 3.4Å; L89-L93 WeakPolarHBondContact O-CG 3.37Å; L89-L93 PolarHBondContact O-N 2.97Å; F90-L93 PolarHBondContact O-N 3.43Å; L93-T96 PolarHBondContact O-N 3Å; L93-Y97 WeakPolarHBondContact O-CB 3.5Å; L93-Y97 PolarHBondContact O-N 3.34Å
94D89.6Confident81.8Confident56 Ų5670.1 Ų70.130%0.29935%0.351SS..Hα-helixtrans-64.9-44.5-178.2-162.750.1000111.3F90 T96 Y97 E98F90-D94 HydrophobicContact CZ-CB 4.41Å; F90-D94 VanDerWaalsContact O-CB 3.3Å; F90-D94 WeakPolarHBondContact O-CB 3.25Å; F90-D94 PolarHBondContact O-N 3.41Å; D94-T96 VanDerWaalsContact C-N 3.32Å; D94-T96 PolarHBondContact O-N 3.11Å; D94-Y97 PolarHBondContact O-N 3.05Å; D94-E98 PolarHBondContact O-N 2.97Å
95K87.8Confident79.7Confident150 Ų15068 Ų6865%0.65235%0.345SS*.Hα-helixtrans-59.5-42.4172.6-79.1174.6-177.7166.60112.5D91 S99D91-K95 VanDerWaalsContact O-CB 3.27Å; D91-K95 WeakPolarHBondContact O-CB 3.39Å; D91-K95 VanDerWaalsContact O-CG 3.23Å; D91-K95 WeakPolarHBondContact O-CG 3.43Å; D91-K95 PolarHBondContact O-N 3.07Å; K95-S99 WeakPolarHBondContact O-CB 3.15Å; K95-S99 PolarHBondContact O-N 3.16Å
96T85.9Confident77.2Confident25 Ų2569 Ų6915%0.15335%0.35CS..Hα-helixtrans-65.7-44.2-179.6-53.20000110.4A8 R11 N12 L92 L93 D94 S99 L100A8-T96 HydrophobicContact CB-CG2 4.46Å; R11-T96 HydrophobicContact CB-CG2 4.41Å; N12-T96 VanDerWaalsContact ND2-CB 3.32Å; N12-T96 WeakPolarHBondContact ND2-CB 3.39Å; N12-T96 WeakPolarHBondContact ND2-CG2 3.2Å; N12-T96 PolarHBondContact ND2-OG1 3.44Å; L92-T96 WeakPolarHBondContact O-CB 3.19Å; L92-T96 PolarHBondContact O-N 3.38Å; L92-T96 VanDerWaalsContact O-N 3.07Å; L92-T96 PolarHBondContact O-OG1 2.91Å; L93-T96 PolarHBondContact O-N 3Å; D94-T96 VanDerWaalsContact C-N 3.32Å; D94-T96 PolarHBondContact O-N 3.11Å; T96-S99 PolarHBondContact O-N 2.86Å; T96-S99 PolarHBondContact O-OG 3.35Å; T96-L100 HydrophobicContact CG2-CD1 4.22Å; T96-L100 WeakPolarHBondContact O-CG 3.5Å; T96-L100 PolarHBondContact O-N 3.04Å
97Y89.6Confident74.1Confident31 Ų3177.5 Ų77.512%0.12239%0.391CS..Hα-helixtrans-60.8-50.5177.1177.7-105.7000112.3C4 E5 A8 F75 L93 D94 S99 L100 K101C4-Y97 HydrophobicContact CB-CD2 4.04Å; C4-Y97 HydrophobicContact CB-CE2 3.74Å; E5-Y97 VanDerWaalsContact CD-CE2 3.47Å; E5-Y97 HydrophobicContact CG-CD2 4.32Å; E5-Y97 HydrophobicContact CG-CE2 3.68Å; E5-Y97 WeakPolarHBondContact OE1-CE2 3.41Å; E5-Y97 PolarHBondContact OE1-OH 3.36Å; A8-Y97 HydrophobicContact CB-CD2 4.48Å; F75-Y97 HydrophobicContact CD1-CD2 4.48Å; F75-Y97 HydrophobicContact CE1-CD1 4.26Å; F75-Y97 AromaticContact CE1-CD2 3.77Å; F75-Y97 HydrophobicContact CE1-CD2 3.77Å; F75-Y97 HydrophobicContact CE1-CE2 4.28Å; F75-Y97 AromaticContact CE1-CG 3.75Å; F75-Y97 HydrophobicContact CE1-CG 3.75Å; F75-Y97 HydrophobicContact CZ-CD2 4.28Å; F75-Y97 HydrophobicContact CZ-CG 4.25Å; L93-Y97 WeakPolarHBondContact O-CB 3.5Å; L93-Y97 PolarHBondContact O-N 3.34Å; D94-Y97 PolarHBondContact O-N 3.05Å; Y97-S99 VanDerWaalsContact C-N 3.3Å; Y97-S99 PolarHBondContact O-N 2.86Å; Y97-L100 WeakPolarHBondContact O-CB 3.17Å; Y97-L100 PolarHBondContact O-N 2.95Å; Y97-L100 VanDerWaalsContact O-N 3.1Å; Y97-K101 HydrophobicContact CE1-CD 4.12Å; Y97-K101 WeakPolarHBondContact O-CB 3.01Å; Y97-K101 PolarHBondContact O-N 2.79Å
98E86.6Confident71.2Confident74 Ų7478.4 Ų78.435%0.34640%0.397SS..Hα-helixtrans-63.1-35.4178-75.1-61.8143.600112D94 L100 K101 N102D94-E98 PolarHBondContact O-N 2.97Å; E98-L100 VanDerWaalsContact C-N 3.33Å; E98-L100 PolarHBondContact O-N 3.44Å; E98-K101 PolarHBondContact O-N 2.99Å; E98-N102 WeakPolarHBondContact O-CB 3.46Å; E98-N102 VanDerWaalsContact O-CG 3.27Å; E98-N102 PolarHBondContact O-N 3.45Å; E98-N102 PolarHBondContact O-ND2 3.43Å
99S83.1Confident68Low54 Ų5481 Ų8138%0.37841%0.414SS..Hα-helixtrans-65.3-36.9173.993.70000112.7K95 T96 Y97 K103K95-S99 WeakPolarHBondContact O-CB 3.15Å; K95-S99 PolarHBondContact O-N 3.16Å; T96-S99 PolarHBondContact O-N 2.86Å; T96-S99 PolarHBondContact O-OG 3.35Å; Y97-S99 VanDerWaalsContact C-N 3.3Å; Y97-S99 PolarHBondContact O-N 2.86Å; S99-K103 WeakPolarHBondContact O-CG 3.49Å; S99-K103 PolarHBondContact O-N 3.33Å
100L79.3Confident64.8Low15 Ų1591.8 Ų91.88%0.07946%0.461CS..Hα-helixtrans-70.1-42.6178.2-75.6165.9000110.7C4 L7 A8 T96 Y97 E98 K103C4-L100 HydrophobicContact CB-CB 4.33Å; L7-L100 HydrophobicContact CB-CD1 3.73Å; A8-L100 HydrophobicContact CB-CD1 4.2Å; T96-L100 HydrophobicContact CG2-CD1 4.22Å; T96-L100 WeakPolarHBondContact O-CG 3.5Å; T96-L100 PolarHBondContact O-N 3.04Å; Y97-L100 WeakPolarHBondContact O-CB 3.17Å; Y97-L100 PolarHBondContact O-N 2.95Å; Y97-L100 VanDerWaalsContact O-N 3.1Å; E98-L100 VanDerWaalsContact C-N 3.33Å; E98-L100 PolarHBondContact O-N 3.44Å; L100-K103 PolarHBondContact O-N 2.93Å
101K79.4Confident61.4Low85 Ų8593.4 Ų93.437%0.3749%0.487SS..Hα-helixtrans-64.4-41.7178.6-165.8177.1178.1-175.40112.2Y97 E98 K103 N104Y97-K101 HydrophobicContact CE1-CD 4.12Å; Y97-K101 WeakPolarHBondContact O-CB 3.01Å; Y97-K101 PolarHBondContact O-N 2.79Å; E98-K101 PolarHBondContact O-N 2.99Å; K101-K103 VanDerWaalsContact C-N 3.34Å; K101-K103 PolarHBondContact O-N 3.43Å; K101-N104 PolarHBondContact O-N 3.23Å
102N66.2Low58.2Low83 Ų8394.2 Ų94.244%0.44451%0.506SS..Hα-helixtrans-71.2-25.9179.1-71.9-32.5000113.5E98 N104 N105E98-N102 WeakPolarHBondContact O-CB 3.46Å; E98-N102 VanDerWaalsContact O-CG 3.27Å; E98-N102 PolarHBondContact O-N 3.45Å; E98-N102 PolarHBondContact O-ND2 3.43Å; N102-N104 VanDerWaalsContact C-N 3.25Å; N102-N104 PolarHBondContact O-N 2.92Å; N102-N105 PolarHBondContact O-N 3.42Å
103K57.2Low55.1Low151 Ų15198.7 Ų98.766%0.65753%0.529SS*.Hα-helixtrans-65.7-26.6174.3-84.6-177.2175.6-173.40113.5S99 L100 K101 N105S99-K103 WeakPolarHBondContact O-CG 3.49Å; S99-K103 PolarHBondContact O-N 3.33Å; L100-K103 PolarHBondContact O-N 2.93Å; K101-K103 VanDerWaalsContact C-N 3.34Å; K101-K103 PolarHBondContact O-N 3.43Å; K103-N105 VanDerWaalsContact C-N 3.31Å; K103-N105 PolarHBondContact O-N 2.88Å
104N44.5Very low51.8Low119 Ų119105.3 Ų105.364%0.63656%0.564SS**THydrogen-bonded Turntrans-79.7-11177.9-72.2-11.6000113.6K101 N102K101-N104 PolarHBondContact O-N 3.23Å; N102-N104 VanDerWaalsContact C-N 3.25Å; N102-N104 PolarHBondContact O-N 2.92Å
105N33.1Very low48.5Very low110 Ų110112.9 Ų112.959%0.58859%0.594SS**THydrogen-bonded Turntrans-104.9-9.5-174.8-70.6-16000114.5N102 K103N102-N105 PolarHBondContact O-N 3.42Å; K103-N105 VanDerWaalsContact C-N 3.31Å; K103-N105 PolarHBondContact O-N 2.88Å
106N27.8Very low45.3Very low131 Ų131112.8 Ų112.870%0.70160%0.6SS**  trans-109.650.5-170.1-69.7-6.5000113.7
107E26Very low42.2Very low202 Ų202117.4 Ų117.494%0.94463%0.63SS**  trans-93.84.8166.6-84.2-166.3163.100114.2
108S23.1Very low38.8Very low89 Ų89125.8 Ų125.862%0.62267%0.668SS**SBendtrans-118.6125.9170.658.10000110.3
109D21.1Very low35.5Very low147 Ų147128.3 Ų128.379%0.78669%0.692SS**  trans80.383.5171.2-58.9-26.5000117.9
110F23.9Very low32.5Very low227 Ų227130.5 Ų130.5100%0.99671%0.707SS**  trans-137.8108.9133.5-101.7-80000110.7
111G20.9Very low29.6Very low67 Ų67134.4 Ų134.469%0.69174%0.736SS**  trans-80.6156.1-178.400000114.8
112A20.4Very low26.9Very low99 Ų99138.7 Ų138.782%0.81876%0.761SS**  trans25109.5147.500000118.3
113L21.5Very low24.7Very low157 Ų157140.6 Ų140.682%0.82278%0.775SS**  trans-152.5109.3143.7-102.2158.5000111.8
114N21.4Very low22.9Very low140 Ų140138.2 Ų138.275%0.74978%0.777SS**  trans75.4101147.8-63.2-12000122.2I116N114-I116 PolarHBondContact O-N 3.48Å
115K20.3Very low21.9Very low214 Ų214140.9 Ų140.993%0.9379%0.786SS**  trans-47.3120.8151.2-67.3173.6175.4177.50111.6
116I20.9Very low21.3Very low149 Ų149141.5 Ų141.576%0.76479%0.794SS**  trans-133.4134154.3-59.2-179.5000107.2N114N114-I116 PolarHBondContact O-N 3.48Å
117P19.4Very low21Very low122 Ų122143.7 Ų143.779%0.79280%0.8SS**  trans-87.3147.8-153.833.9-34000114.5
118F18.4Very low20.9Very low207 Ų207140.6 Ų140.691%0.90879%0.79SS**  trans-75.1132.4167.2-97.6-100.5000111.9
119C18.1Very low20.9Very low126 Ų126141.8 Ų141.885%0.85180%0.795SS**  trans142.5135.5157.5-83.40000108
120S19.1Very low21Very low101 Ų101142.8 Ų142.871%0.70680%0.8SS**  cis-167.8151.622.844.10000111
121S19.5Very low20.9Very low96 Ų96136.9 Ų136.967%0.67178%0.783SS**  trans60.5101.3144.162.50000119.9
122I21.2Very low21.2Very low176 Ų176139.9 Ų139.990%0.90379%0.787SS**  -134.6111114-59.5-176.4000107.6
123V20.1Very low21.5Very low122 Ų122139.9 Ų139.974%0.73978%0.777SS**  trans-100.7157.9170.7166.90000108
124S20.4Very low21.8Very low101 Ų101134.3 Ų134.371%0.70675%0.75SS**  trans86.7123.1167.164.20000115.7
125E22.5Very low22.3Very low175 Ų175129.1 Ų129.182%0.81872%0.724SS**  cis-140.3124.231.4-67.9169.3160.200110.4
126T22.3Very low22.7Very low123 Ų123122 Ų12276%0.75570%0.7SS**  44.8121.293.350.90000113.4
127E21.7Very low23.1Very low178 Ų178119.9 Ų119.983%0.83269%0.687SS**  cis-165.4125.338.6-101.5159.7-166.300111
128N22.8Very low23.7Very low136 Ų136117.8 Ų117.873%0.72768%0.675SS**  trans172.1116.4137.7-97.3-30.7000109.3
129P23.6Very low24.5Very low114 Ų114110.1 Ų110.174%0.7464%0.643SS**THydrogen-bonded Turntrans-77.4142.7169.133-28.4000108.7
130L23Very low25.3Very low169 Ų169107.4 Ų107.489%0.88563%0.626SS**THydrogen-bonded Turntrans87.225.9173.5-59.5146.6000119.2V132L130-V132 PolarHBondContact O-N 3.37Å
131T22.6Very low26Very low102 Ų102110.8 Ų110.863%0.62663%0.628SS**  trans-91.790.3157.743.50000110T133T131-T133 PolarHBondContact O-N 3.08Å
132V26.3Very low26.8Very low130 Ų130109.4 Ų109.479%0.78861%0.613SS**  trans-61.394.6158.2178.20000106.1L130 T134L130-V132 PolarHBondContact O-N 3.37Å; V132-T134 PolarHBondContact O-N 3.41Å
133T25.8Very low27.5Very low100 Ų100101.9 Ų101.961%0.61358%0.575SS**  trans-60.5111.6174.840.50000107.8T131T131-T133 PolarHBondContact O-N 3.08Å
134T28.7Very low28.4Very low39 Ų39100.9 Ų100.924%0.23957%0.566CS.*  trans-68154.3178.352.80000109.4V132 C136 Q137V132-T134 PolarHBondContact O-N 3.41Å; T134-C136 PolarHBondContact O-N 3.03Å; T134-Q137 PolarHBondContact O-N 3.3Å
135P30.8Very low29.2Very low32 Ų32102.4 Ų102.421%0.20856%0.561CS.*THydrogen-bonded Turntrans-57.4-6.6175.3-23.132.9000114.2S138 I139 L219 R226P135-S138 PolarHBondContact O-OG 3.13Å; P135-I139 WeakPolarHBondContact O-CG1 3.31Å; P135-L219 HydrophobicContact CB-CD2 4.33Å; P135-L219 HydrophobicContact CG-CD2 3.69Å; P135-R226 PolarHBondContact O-NH1 3.01Å
136C29.3Very low30Very low64 Ų6494.9 Ų94.943%0.43253%0.528SS..THydrogen-bonded Turntrans-83.7-19.4173.3-32.50000113.1T134 I139T134-C136 PolarHBondContact O-N 3.03Å; C136-I139 HydrophobicContact CB-CD1 4.4Å; C136-I139 WeakPolarHBondContact O-CB 3.46Å; C136-I139 WeakPolarHBondContact O-CD1 3.32Å; C136-I139 WeakPolarHBondContact O-CG1 3.35Å
137Q30.7Very low30.9Very low104 Ų10494 Ų9449%0.48651%0.514SS..THydrogen-bonded Turntrans-97.8-26-175.6-74.1176.4-40.200113.2T134 I139T134-Q137 PolarHBondContact O-N 3.3Å; Q137-I139 PolarHBondContact O-N 3.33Å
138S31.8Very low31.9Very low78 Ų7891.5 Ų91.555%0.54550%0.504SS..THydrogen-bonded Turntrans-68.9-10.9168.549.80000113.4P135 S140P135-S138 PolarHBondContact O-OG 3.13Å; S138-S140 PolarHBondContact O-N 3.5Å
139I35.4Very low32.9Very low46 Ų4691.5 Ų91.524%0.23650%0.497CS..Hα-helixtrans-55.8-33.9175.8-69.3-174.1000112.1P135 C136 Q137 K141 D142 V143P135-I139 WeakPolarHBondContact O-CG1 3.31Å; C136-I139 HydrophobicContact CB-CD1 4.4Å; C136-I139 WeakPolarHBondContact O-CB 3.46Å; C136-I139 WeakPolarHBondContact O-CD1 3.32Å; C136-I139 WeakPolarHBondContact O-CG1 3.35Å; Q137-I139 PolarHBondContact O-N 3.33Å; I139-K141 VanDerWaalsContact C-N 3.28Å; I139-K141 PolarHBondContact O-N 2.95Å; I139-K141 VanDerWaalsContact O-N 3.13Å; I139-D142 PolarHBondContact O-N 2.68Å; I139-V143 HydrophobicContact CB-CG2 4.27Å; I139-V143 HydrophobicContact CG2-CB 4.1Å; I139-V143 HydrophobicContact CG2-CG2 3.15Å; I139-V143 WeakPolarHBondContact O-CB 3.29Å; I139-V143 WeakPolarHBondContact O-CG2 3.4Å; I139-V143 PolarHBondContact O-N 3.39Å
140S33Very low34.1Very low70 Ų7086.6 Ų86.649%0.4947%0.465SS..Hα-helixtrans-54.8-40.3-173.657.80000114S138 D144S138-S140 PolarHBondContact O-N 3.5Å; S140-D144 VanDerWaalsContact O-CG 3.26Å; S140-D144 PolarHBondContact O-N 2.92Å
141K34.7Very low35.1Very low172 Ų17286.6 Ų86.675%0.74846%0.457SS*.Hα-helixtrans-80.6-40.7-176.1-68.2-174.2178-179.80114.2I139 V143 H145I139-K141 VanDerWaalsContact C-N 3.28Å; I139-K141 PolarHBondContact O-N 2.95Å; I139-K141 VanDerWaalsContact O-N 3.13Å; K141-V143 VanDerWaalsContact C-N 3.35Å; K141-H145 PolarHBondContact O-N 3.22Å
142D35.9Very low36.2Very low67 Ų6784.8 Ų84.836%0.35846%0.46SS..Hα-helixtrans-74.2-28.2176.2-84.7-17.4000111.5I139 H145 S146 R227I139-D142 PolarHBondContact O-N 2.68Å; D142-H145 PolarHBondContact O-N 3.48Å; D142-S146 WeakPolarHBondContact O-CB 3.48Å; D142-S146 PolarHBondContact O-N 3.02Å; D142-S146 PolarHBondContact O-OG 3.13Å; D142-R227 IonicContact OD1-NH2 2.59Å; D142-R227 PolarHBondContact OD1-NH2 3.25Å; D142-R227 IonicContact OD2-NE 3.96Å; D142-R227 IonicContact OD2-NH2 2.83Å
143V36.6Very low37.5Very low17 Ų1779.6 Ų79.610%0.10343%0.427CS..Hα-helixtrans-72.8-39.5176.9168.40000113.3I139 K141 H145 S146 K147 F162I139-V143 HydrophobicContact CB-CG2 4.27Å; I139-V143 HydrophobicContact CG2-CB 4.1Å; I139-V143 HydrophobicContact CG2-CG2 3.15Å; I139-V143 WeakPolarHBondContact O-CB 3.29Å; I139-V143 WeakPolarHBondContact O-CG2 3.4Å; I139-V143 PolarHBondContact O-N 3.39Å; K141-V143 VanDerWaalsContact C-N 3.35Å; V143-H145 PolarHBondContact O-N 2.92Å; V143-S146 WeakPolarHBondContact CA-OG 3.1Å; V143-S146 PolarHBondContact O-N 3.22Å; V143-K147 HydrophobicContact CG1-CD 3.92Å; V143-K147 VanDerWaalsContact CG1-CE 3.47Å; V143-K147 HydrophobicContact CG1-CG 4.13Å; V143-K147 VanDerWaalsContact O-CB 3.24Å; V143-K147 WeakPolarHBondContact O-CB 3.23Å; V143-K147 WeakPolarHBondContact O-CG 3.09Å; V143-K147 PolarHBondContact O-N 3.38Å; V143-F162 HydrophobicContact CB-CE1 4.28Å; V143-F162 HydrophobicContact CB-CZ 3.99Å; V143-F162 HydrophobicContact CG1-CE1 4.2Å; V143-F162 HydrophobicContact CG1-CE2 4.18Å; V143-F162 HydrophobicContact CG1-CZ 3.57Å; V143-F162 HydrophobicContact CG2-CD1 4.34Å; V143-F162 HydrophobicContact CG2-CE1 3.19Å; V143-F162 HydrophobicContact CG2-CZ 3.37Å
144D39.6Very low38.7Very low102 Ų10276.2 Ų76.255%0.54541%0.412SS..Hα-helixtrans-66.4-32.3175.2-70.2-22.6000111.1S140 K147S140-D144 VanDerWaalsContact O-CG 3.26Å; S140-D144 PolarHBondContact O-N 2.92Å; D144-K147 IonicContact OD1-NZ 3.21Å
145H37.1Very low39.9Very low133 Ų13379.7 Ų79.762%0.61643%0.433SS*.Hα-helixtrans-72.1-39.4171.6-98.3-57.4000114K141 D142 V143 M148 F149K141-H145 PolarHBondContact O-N 3.22Å; D142-H145 PolarHBondContact O-N 3.48Å; V143-H145 PolarHBondContact O-N 2.92Å; H145-M148 WeakPolarHBondContact O-CB 3.4Å; H145-M148 PolarHBondContact O-N 3.38Å; H145-F149 WeakPolarHBondContact O-CD2 3.34Å
146S39.6Very low41.1Very low16 Ų1680.5 Ų80.511%0.11244%0.439CS..Hα-helixtrans-79.1-27.317939.70000113.2D142 V143 M148 F149 L150D142-S146 WeakPolarHBondContact O-CB 3.48Å; D142-S146 PolarHBondContact O-N 3.02Å; D142-S146 PolarHBondContact O-OG 3.13Å; V143-S146 WeakPolarHBondContact CA-OG 3.1Å; V143-S146 PolarHBondContact O-N 3.22Å; S146-M148 PolarHBondContact O-N 2.92Å; S146-F149 PolarHBondContact O-N 3.38Å; S146-L150 PolarHBondContact O-N 3.4Å
147K41.1Very low42.5Very low105 Ų10578 Ų7846%0.45742%0.421SS..Hα-helixtrans-59.2-28166.8-81.4173.7-179.3168.60112.5V143 D144 F149 L150 K151V143-K147 HydrophobicContact CG1-CD 3.92Å; V143-K147 VanDerWaalsContact CG1-CE 3.47Å; V143-K147 HydrophobicContact CG1-CG 4.13Å; V143-K147 VanDerWaalsContact O-CB 3.24Å; V143-K147 WeakPolarHBondContact O-CB 3.23Å; V143-K147 WeakPolarHBondContact O-CG 3.09Å; V143-K147 PolarHBondContact O-N 3.38Å; D144-K147 IonicContact OD1-NZ 3.21Å; K147-F149 VanDerWaalsContact C-N 3.32Å; K147-F149 PolarHBondContact O-N 3.07Å; K147-L150 PolarHBondContact O-N 2.88Å; K147-K151 PolarHBondContact O-N 3.27Å
148M42.6Very low43.9Very low126 Ų12674.3 Ų74.362%0.62141%0.405SS*.Hα-helixtrans-64.5-34.6172.4-87.1-168.575.100112.7H145 S146H145-M148 WeakPolarHBondContact O-CB 3.4Å; H145-M148 PolarHBondContact O-N 3.38Å; S146-M148 PolarHBondContact O-N 2.92Å
149F41.9Very low45.1Very low135 Ų13573.1 Ų73.159%0.59239%0.393SS*.Hα-helixtrans-78.1-20.7-179.6-73.6-81.9000113.5H145 S146 K147H145-F149 WeakPolarHBondContact O-CD2 3.34Å; S146-F149 PolarHBondContact O-N 3.38Å; K147-F149 VanDerWaalsContact C-N 3.32Å; K147-F149 PolarHBondContact O-N 3.07Å
150L50.5Low46.4Very low11 Ų1172.3 Ų72.36%0.05839%0.388CS..THydrogen-bonded Turntrans-113.520.3-176.6-63.9175.8000113.3S146 K147 G152 L153 I161 F230 I237S146-L150 PolarHBondContact O-N 3.4Å; K147-L150 PolarHBondContact O-N 2.88Å; L150-G152 PolarHBondContact O-N 2.8Å; L150-L153 HydrophobicContact CB-CD1 4.08Å; L150-L153 HydrophobicContact CD1-CD1 4.32Å; L150-L153 HydrophobicContact CD2-CD1 3.84Å; L150-L153 HydrophobicContact CG-CD1 4.29Å; L150-L153 PolarHBondContact O-N 2.82Å; L150-I161 HydrophobicContact CD1-CD1 4.23Å; L150-F230 HydrophobicContact CD1-CD1 4.3Å; L150-F230 HydrophobicContact CD1-CE1 4.25Å; L150-I237 HydrophobicContact CD2-CD1 4.36Å
151K42.8Very low47.9Very low169 Ų16969 Ų6974%0.73537%0.365SS*.THydrogen-bonded Turntrans-61.6102.4174.8-96178.2178.3178.30110.2K147K147-K151 PolarHBondContact O-N 3.27Å
152G47Very low49.2Very low65 Ų6562.3 Ų62.367%0.6734%0.336SS*.THydrogen-bonded Turntrans140-16.6-177.900000113.9L150L150-G152 PolarHBondContact O-N 2.8Å
153L51.9Low50.3Low21 Ų2160.4 Ų60.411%0.1133%0.326CS..SBendtrans-78.6140.4169.1-69.2178.7000110.5L150 E157 N158 I161 I237 N262 I266L150-L153 HydrophobicContact CB-CD1 4.08Å; L150-L153 HydrophobicContact CD1-CD1 4.32Å; L150-L153 HydrophobicContact CD2-CD1 3.84Å; L150-L153 HydrophobicContact CG-CD1 4.29Å; L150-L153 PolarHBondContact O-N 2.82Å; L153-E157 HydrophobicContact CB-CB 4.17Å; L153-E157 HydrophobicContact CD2-CB 4.24Å; L153-N158 PolarHBondContact O-ND2 3.26Å; L153-I161 HydrophobicContact CD1-CD1 3.6Å; L153-I237 HydrophobicContact CD1-CD1 4.1Å; L153-N262 HydrophobicContact CD2-CB 3.61Å; L153-I266 HydrophobicContact CD1-CD1 4.48Å; L153-I266 HydrophobicContact CD2-CD1 4.3Å
154G51.2Low51.7Low29 Ų2959.7 Ų59.730%0.29932%0.322SS..  trans-62.9165.2171.700000111.9S156 E157 N158G154-S156 VanDerWaalsContact C-N 3.27Å; G154-S156 PolarHBondContact O-N 3.31Å; G154-E157 WeakPolarHBondContact CA-OE2 3.47Å; G154-E157 PolarHBondContact N-OE2 2.71Å; G154-E157 PolarHBondContact O-N 2.8Å; G154-N158 PolarHBondContact O-N 2.76Å; G154-N158 VanDerWaalsContact O-N 3.17Å; G154-N158 PolarHBondContact O-ND2 2.86Å
155V53.6Low53Low112 Ų11254.9 Ų54.968%0.67930%0.296SS*.Hα-helixtrans-59.3-42.5-178.3-179.60000110.5E157 N158 D159V155-E157 PolarHBondContact O-N 2.64Å; V155-N158 PolarHBondContact O-N 2.94Å; V155-D159 VanDerWaalsContact O-CG 3.29Å; V155-D159 PolarHBondContact O-N 3.34Å
156S56.6Low54Low48 Ų4850.4 Ų50.434%0.33628%0.279SS..Hα-helixtrans-57.2-45.1176.334.10000113.5G154 D159 I160G154-S156 VanDerWaalsContact C-N 3.27Å; G154-S156 PolarHBondContact O-N 3.31Å; S156-D159 PolarHBondContact O-N 3.09Å; S156-I160 VanDerWaalsContact O-CG1 3.28Å; S156-I160 WeakPolarHBondContact O-CG1 3.32Å; S156-I160 PolarHBondContact O-N 3.49Å
157E59.2Low55Low11 Ų1150.3 Ų50.35%0.05128%0.278CS..Hα-helixtrans-71.1-35.5-176.3-65.492.8142.900111.3L153 G154 V155 I160 I161 G259 A263 I266L153-E157 HydrophobicContact CB-CB 4.17Å; L153-E157 HydrophobicContact CD2-CB 4.24Å; G154-E157 WeakPolarHBondContact CA-OE2 3.47Å; G154-E157 PolarHBondContact N-OE2 2.71Å; G154-E157 PolarHBondContact O-N 2.8Å; V155-E157 PolarHBondContact O-N 2.64Å; E157-I160 PolarHBondContact O-N 3.23Å; E157-I161 WeakPolarHBondContact O-CG1 3.24Å; E157-I161 PolarHBondContact O-N 3.47Å; E157-I161 VanDerWaalsContact O-N 3.12Å; E157-G259 VanDerWaalsContact OE1-CA 3.29Å; E157-G259 WeakPolarHBondContact OE1-CA 3.48Å; E157-A263 HydrophobicContact CG-CB 4.46Å; E157-I266 HydrophobicContact CB-CD1 3.72Å; E157-I266 HydrophobicContact CG-CD1 4.16Å
158N59.5Low56.1Low28 Ų2845.3 Ų45.315%0.1526%0.256CS..Hα-helixtrans-63.7-46.4171.4-73.1-44.8000110.7L153 G154 V155 I160 I161 F162L153-N158 PolarHBondContact O-ND2 3.26Å; G154-N158 PolarHBondContact O-N 2.76Å; G154-N158 VanDerWaalsContact O-N 3.17Å; G154-N158 PolarHBondContact O-ND2 2.86Å; V155-N158 PolarHBondContact O-N 2.94Å; N158-I160 VanDerWaalsContact C-N 3.27Å; N158-I160 PolarHBondContact O-N 3.46Å; N158-I161 PolarHBondContact O-N 3.48Å; N158-F162 WeakPolarHBondContact O-CB 3.37Å; N158-F162 WeakPolarHBondContact O-CD2 3.48Å; N158-F162 PolarHBondContact O-N 2.94Å
159D57.3Low57Low53 Ų5339.3 Ų39.328%0.28323%0.227SC..Hα-helixtrans-61.4-36.9179.4-66.2-24.8000111.9V155 S156 F162 N163 V305V155-D159 VanDerWaalsContact O-CG 3.29Å; V155-D159 PolarHBondContact O-N 3.34Å; S156-D159 PolarHBondContact O-N 3.09Å; D159-F162 PolarHBondContact O-N 3.14Å; D159-N163 WeakPolarHBondContact O-CB 3.2Å; D159-N163 PolarHBondContact O-N 3.33Å; D159-N163 PolarHBondContact O-ND2 2.88Å; D159-V305 HydrophobicContact CB-CG1 3.78Å
160I63.7Low57.5Low28 Ų2834.9 Ų34.914%0.14421%0.213CC..Hα-helixtrans-61.6-51.2173.6-68.1166.9000111S156 E157 N158 F162 N163 I164 I266 N297S156-I160 VanDerWaalsContact O-CG1 3.28Å; S156-I160 WeakPolarHBondContact O-CG1 3.32Å; S156-I160 PolarHBondContact O-N 3.49Å; E157-I160 PolarHBondContact O-N 3.23Å; N158-I160 VanDerWaalsContact C-N 3.27Å; N158-I160 PolarHBondContact O-N 3.46Å; I160-F162 VanDerWaalsContact C-N 3.29Å; I160-F162 PolarHBondContact O-N 2.91Å; I160-N163 PolarHBondContact O-N 3.19Å; I160-I164 HydrophobicContact CG2-CD1 3.82Å; I160-I164 VanDerWaalsContact O-CG1 3.3Å; I160-I164 WeakPolarHBondContact O-CG1 3.43Å; I160-I164 PolarHBondContact O-N 3.5Å; I160-I266 HydrophobicContact CG2-CG2 4.18Å; I160-N297 HydrophobicContact CD1-CB 4.47Å; I160-N297 WeakPolarHBondContact CG1-ND2 3.22Å
161I63.5Low57.6Low1 Ų135 Ų351%0.00521%0.213CC..Hα-helixtrans-60-43.5178.4-68.3170.7000110.2L150 L153 E157 N158 N163 I164 I165 F230 F233 I237 I266L150-I161 HydrophobicContact CD1-CD1 4.23Å; L153-I161 HydrophobicContact CD1-CD1 3.6Å; E157-I161 WeakPolarHBondContact O-CG1 3.24Å; E157-I161 PolarHBondContact O-N 3.47Å; E157-I161 VanDerWaalsContact O-N 3.12Å; N158-I161 PolarHBondContact O-N 3.48Å; I161-N163 VanDerWaalsContact C-N 3.34Å; I161-N163 PolarHBondContact O-N 3.3Å; I161-I164 PolarHBondContact O-N 3.39Å; I161-I165 HydrophobicContact CG2-CD1 3.64Å; I161-I165 HydrophobicContact CG2-CG1 4.37Å; I161-I165 WeakPolarHBondContact O-CB 3.1Å; I161-I165 VanDerWaalsContact O-CG1 3.27Å; I161-I165 WeakPolarHBondContact O-CG1 3.23Å; I161-I165 PolarHBondContact O-N 3.07Å; I161-F230 HydrophobicContact CG2-CE1 4Å; I161-F233 HydrophobicContact CG1-CD1 4.37Å; I161-F233 HydrophobicContact CG2-CB 4.41Å; I161-F233 HydrophobicContact CG2-CD2 4.12Å; I161-F233 HydrophobicContact CG2-CG 4.2Å; I161-I237 HydrophobicContact CD1-CD1 4.1Å; I161-I266 HydrophobicContact CD1-CD1 3.82Å; I161-I266 HydrophobicContact CD1-CG1 4.24Å; I161-I266 HydrophobicContact CG1-CD1 4.08Å; I161-I266 HydrophobicContact CG1-CG1 4.45Å; I161-I266 HydrophobicContact CG1-CG2 4.38Å
162F61.9Low57.9Low32 Ų3228.4 Ų28.414%0.1419%0.188CC..Hα-helixtrans-61-41.9177.2-91.8-69.2000112.7V143 N158 D159 I160 S166 F230V143-F162 HydrophobicContact CB-CE1 4.28Å; V143-F162 HydrophobicContact CB-CZ 3.99Å; V143-F162 HydrophobicContact CG1-CE1 4.2Å; V143-F162 HydrophobicContact CG1-CE2 4.18Å; V143-F162 HydrophobicContact CG1-CZ 3.57Å; V143-F162 HydrophobicContact CG2-CD1 4.34Å; V143-F162 HydrophobicContact CG2-CE1 3.19Å; V143-F162 HydrophobicContact CG2-CZ 3.37Å; N158-F162 WeakPolarHBondContact O-CB 3.37Å; N158-F162 WeakPolarHBondContact O-CD2 3.48Å; N158-F162 PolarHBondContact O-N 2.94Å; D159-F162 PolarHBondContact O-N 3.14Å; I160-F162 VanDerWaalsContact C-N 3.29Å; I160-F162 PolarHBondContact O-N 2.91Å; F162-S166 WeakPolarHBondContact O-CB 3.33Å; F162-S166 PolarHBondContact O-N 2.82Å; F162-S166 PolarHBondContact O-OG 3.28Å; F162-F230 HydrophobicContact CD1-CE2 4.33Å; F162-F230 AromaticContact CD1-CZ 3.66Å; F162-F230 HydrophobicContact CD1-CZ 3.66Å; F162-F230 HydrophobicContact CD2-CZ 4.46Å; F162-F230 HydrophobicContact CE1-CE1 4.14Å; F162-F230 AromaticContact CE1-CE2 3.77Å; F162-F230 HydrophobicContact CE1-CE2 3.77Å; F162-F230 AromaticContact CE1-CZ 3.16Å; F162-F230 HydrophobicContact CE1-CZ 3.16Å; F162-F230 HydrophobicContact CE2-CE1 4.3Å; F162-F230 HydrophobicContact CE2-CZ 4.06Å; F162-F230 HydrophobicContact CG-CZ 4.25Å; F162-F230 AromaticContact CZ-CE1 3.9Å; F162-F230 HydrophobicContact CZ-CE1 3.9Å; F162-F230 HydrophobicContact CZ-CE2 4.25Å; F162-F230 AromaticContact CZ-CZ 3.36Å; F162-F230 HydrophobicContact CZ-CZ 3.36Å
163N59.7Low58.1Low27 Ų2728.2 Ų28.214%0.14417%0.171CC..Hα-helixtrans-65.9-42.8177.8-76.7-25.8000111.8D159 I160 I161 S166 T167 V305D159-N163 WeakPolarHBondContact O-CB 3.2Å; D159-N163 PolarHBondContact O-N 3.33Å; D159-N163 PolarHBondContact O-ND2 2.88Å; I160-N163 PolarHBondContact O-N 3.19Å; I161-N163 VanDerWaalsContact C-N 3.34Å; I161-N163 PolarHBondContact O-N 3.3Å; N163-S166 PolarHBondContact O-N 3.15Å; N163-T167 VanDerWaalsContact O-CB 3.24Å; N163-T167 WeakPolarHBondContact O-CB 3.35Å; N163-T167 PolarHBondContact O-N 2.94Å; N163-T167 PolarHBondContact O-OG1 3.02Å; N163-V305 WeakPolarHBondContact ND2-CG1 3.27Å
164I65.9Low58.4Low2 Ų227.3 Ų27.31%0.0117%0.166CC..Hα-helixtrans-62.7-48.3177.2-65.4166000110.4I160 I161 S166 T167 I168 F233 V270 L274 I290 I294I160-I164 HydrophobicContact CG2-CD1 3.82Å; I160-I164 VanDerWaalsContact O-CG1 3.3Å; I160-I164 WeakPolarHBondContact O-CG1 3.43Å; I160-I164 PolarHBondContact O-N 3.5Å; I161-I164 PolarHBondContact O-N 3.39Å; I164-S166 VanDerWaalsContact C-N 3.33Å; I164-S166 PolarHBondContact O-N 3.2Å; I164-T167 PolarHBondContact O-N 3.4Å; I164-I168 HydrophobicContact CG2-CD1 3.92Å; I164-I168 WeakPolarHBondContact O-CG1 3.5Å; I164-I168 PolarHBondContact O-N 2.99Å; I164-F233 HydrophobicContact CD1-CZ 4.35Å; I164-F233 HydrophobicContact CG2-CE2 4.22Å; I164-F233 HydrophobicContact CG2-CZ 4.03Å; I164-V270 HydrophobicContact CD1-CG2 3.7Å; I164-L274 HydrophobicContact CG2-CD2 3.47Å; I164-L274 VanDerWaalsContact CG2-CD2 3.47Å; I164-I290 HydrophobicContact CG1-CG2 4.29Å; I164-I290 HydrophobicContact CG2-CD1 4.46Å; I164-I290 HydrophobicContact CG2-CG2 4.26Å; I164-I294 HydrophobicContact CD1-CD1 3.9Å; I164-I294 HydrophobicContact CD1-CG1 4.3Å
165I66.5Low58.6Low1 Ų125.9 Ų25.91%0.00515%0.152CC..Hα-helixtrans-62-44.2178.6-69.3174000110.5I161 T167 I168 C169 R226 L229 F230 F233I161-I165 HydrophobicContact CG2-CD1 3.64Å; I161-I165 HydrophobicContact CG2-CG1 4.37Å; I161-I165 WeakPolarHBondContact O-CB 3.1Å; I161-I165 VanDerWaalsContact O-CG1 3.27Å; I161-I165 WeakPolarHBondContact O-CG1 3.23Å; I161-I165 PolarHBondContact O-N 3.07Å; I165-T167 VanDerWaalsContact C-N 3.31Å; I165-T167 PolarHBondContact O-N 3.42Å; I165-I168 PolarHBondContact O-N 3Å; I165-C169 WeakPolarHBondContact O-CB 3.23Å; I165-C169 PolarHBondContact O-N 3.29Å; I165-C169 PolarHBondContact O-SG 3.4Å; I165-R226 HydrophobicContact CG2-CB 4.09Å; I165-R226 HydrophobicContact CG2-CG 3.82Å; I165-L229 HydrophobicContact CD1-CB 4.23Å; I165-L229 HydrophobicContact CG1-CB 3.85Å; I165-L229 HydrophobicContact CG1-CD1 4.38Å; I165-L229 HydrophobicContact CG2-CD1 4.48Å; I165-F230 HydrophobicContact CD1-CB 4.35Å; I165-F230 HydrophobicContact CD1-CD1 3.65Å; I165-F230 HydrophobicContact CD1-CD2 3.57Å; I165-F230 HydrophobicContact CD1-CE1 3.54Å; I165-F230 HydrophobicContact CD1-CE2 3.46Å; I165-F230 VanDerWaalsContact CD1-CE2 3.46Å; I165-F230 HydrophobicContact CD1-CG 3.61Å; I165-F230 HydrophobicContact CD1-CZ 3.38Å; I165-F230 HydrophobicContact CG2-CD2 4.38Å; I165-F230 HydrophobicContact CG2-CE2 4.01Å; I165-F233 HydrophobicContact CD1-CD2 4.29Å; I165-F233 HydrophobicContact CG1-CD2 4.4Å; I165-F233 HydrophobicContact CG1-CE2 4.32Å
166S58.8Low58.6Low38 Ų3827 Ų2727%0.26615%0.151SC..Hα-helixtrans-64.5-39.5179.1-62.40000111.2F162 N163 I164 S170F162-S166 WeakPolarHBondContact O-CB 3.33Å; F162-S166 PolarHBondContact O-N 2.82Å; F162-S166 PolarHBondContact O-OG 3.28Å; N163-S166 PolarHBondContact O-N 3.15Å; I164-S166 VanDerWaalsContact C-N 3.33Å; I164-S166 PolarHBondContact O-N 3.2Å; S166-S170 WeakPolarHBondContact O-CB 3.47Å; S166-S170 PolarHBondContact O-N 3.42Å; S166-S170 PolarHBondContact O-OG 3.24Å; S166-S170 VanDerWaalsContact O-OG 3.14Å
167T59.9Low58.9Low14 Ų1427.1 Ų27.19%0.08615%0.148CC..Hα-helixtrans-64.3-49.4177.3-57.20000110.6N163 I164 I165 S170 L286 I290N163-T167 VanDerWaalsContact O-CB 3.24Å; N163-T167 WeakPolarHBondContact O-CB 3.35Å; N163-T167 PolarHBondContact O-N 2.94Å; N163-T167 PolarHBondContact O-OG1 3.02Å; I164-T167 PolarHBondContact O-N 3.4Å; I165-T167 VanDerWaalsContact C-N 3.31Å; I165-T167 PolarHBondContact O-N 3.42Å; T167-S170 PolarHBondContact O-N 3.15Å; T167-S170 PolarHBondContact O-OG 3.22Å; T167-L286 HydrophobicContact CG2-CD1 3.71Å; T167-I290 HydrophobicContact CG2-CG1 4.26Å
168I63.9Low59.4Low0 Ų027.5 Ų27.50%015%0.149CC..Hα-helixtrans-66.3-47.5178.6-62.7171.8000111.6I164 I165 S170 H171 A174 L181 L229 L274 L278 L286 I290I164-I168 HydrophobicContact CG2-CD1 3.92Å; I164-I168 WeakPolarHBondContact O-CG1 3.5Å; I164-I168 PolarHBondContact O-N 2.99Å; I165-I168 PolarHBondContact O-N 3Å; I168-S170 PolarHBondContact O-N 3.35Å; I168-H171 VanDerWaalsContact O-CB 3.3Å; I168-H171 WeakPolarHBondContact O-CB 3.31Å; I168-H171 PolarHBondContact O-N 3.17Å; I168-A174 HydrophobicContact CG2-CB 3.87Å; I168-L181 HydrophobicContact CG2-CD2 3.87Å; I168-L229 HydrophobicContact CB-CD1 3.76Å; I168-L229 HydrophobicContact CD1-CD1 4.02Å; I168-L229 HydrophobicContact CD1-CD2 4.36Å; I168-L229 HydrophobicContact CG1-CD1 4.48Å; I168-L229 HydrophobicContact CG2-CD1 3.69Å; I168-L274 HydrophobicContact CD1-CD1 3.86Å; I168-L274 HydrophobicContact CD1-CD2 3.74Å; I168-L274 HydrophobicContact CD1-CG 4.01Å; I168-L278 HydrophobicContact CD1-CD1 4.08Å; I168-L278 HydrophobicContact CG1-CD1 4.26Å; I168-L286 HydrophobicContact CG1-CD2 4.34Å; I168-I290 HydrophobicContact CD1-CD1 3.83Å; I168-I290 HydrophobicContact CG1-CD1 3.49Å; I168-I290 VanDerWaalsContact CG1-CD1 3.49Å
169C61Low59.7Low1 Ų131.9 Ų31.91%0.00717%0.166CC..Hα-helixtrans-74-10.4-177.5-59.10000113.2I165 H171 V175 T222 R226I165-C169 WeakPolarHBondContact O-CB 3.23Å; I165-C169 PolarHBondContact O-N 3.29Å; I165-C169 PolarHBondContact O-SG 3.4Å; C169-H171 VanDerWaalsContact C-N 3.33Å; C169-V175 WeakPolarHBondContact O-CG2 3.35Å; C169-T222 HydrophobicContact CB-CG2 4.11Å; C169-T222 WeakPolarHBondContact O-CG2 2.91Å; C169-R226 HydrophobicContact CB-CG 3.52Å; C169-R226 VanDerWaalsContact SG-CA 3.51Å; C169-R226 WeakPolarHBondContact SG-CG 3.1Å; C169-R226 PolarHBondContact SG-N 2.98Å
170S52.9Low60.2Low42 Ų4233.3 Ų33.329%0.29417%0.174SC..THydrogen-bonded Turntrans-81.6-15167.570.90000112.8S166 T167 I168 P172 S396S166-S170 WeakPolarHBondContact O-CB 3.47Å; S166-S170 PolarHBondContact O-N 3.42Å; S166-S170 PolarHBondContact O-OG 3.24Å; S166-S170 VanDerWaalsContact O-OG 3.14Å; T167-S170 PolarHBondContact O-N 3.15Å; T167-S170 PolarHBondContact O-OG 3.22Å; I168-S170 PolarHBondContact O-N 3.35Å; S170-P172 WeakPolarHBondContact O-CD 3.36Å; S170-S396 WeakPolarHBondContact O-CB 2.98Å
171H53.5Low60.5Low13 Ų1332 Ų326%0.0617%0.168CC..  trans-86.3113.9-178.1-164.8-68.6000110.8I168 C169 I173 A174 V175 L283 L286 H390I168-H171 VanDerWaalsContact O-CB 3.3Å; I168-H171 WeakPolarHBondContact O-CB 3.31Å; I168-H171 PolarHBondContact O-N 3.17Å; C169-H171 VanDerWaalsContact C-N 3.33Å; H171-I173 VanDerWaalsContact C-N 3.32Å; H171-I173 PolarHBondContact ND1-N 2.97Å; H171-I173 PolarHBondContact O-N 3.44Å; H171-A174 HydrophobicContact CB-CB 3.96Å; H171-A174 PolarHBondContact O-N 3.24Å; H171-A174 VanDerWaalsContact O-N 3.07Å; H171-V175 WeakPolarHBondContact O-CG2 3.29Å; H171-V175 PolarHBondContact O-N 2.85Å; H171-L283 WeakPolarHBondContact CE1-CD2 3.41Å; H171-L286 HydrophobicContact CB-CD1 4.15Å; H171-L286 HydrophobicContact CB-CD2 3.86Å; H171-H390 AromaticContact CD2-CE1 3.67Å; H171-H390 AromaticContact CD2-NE2 3.54Å; H171-H390 AromaticContact NE2-CE1 3.67Å; H171-H390 AromaticContact NE2-NE2 3.95Å
172P48.7Very low60.9Low31 Ų3132.5 Ų32.520%0.20117%0.17CC..Hα-helixtrans-58.5-41.9-171.6-22.831.7000112.9S170 A174 V175 M176 F218S170-P172 WeakPolarHBondContact O-CD 3.36Å; P172-A174 PolarHBondContact O-N 3.11Å; P172-V175 CarbonylContact O-C 3.11Å; P172-V175 PolarHBondContact O-N 3.35Å; P172-M176 WeakPolarHBondContact O-CB 3.32Å; P172-M176 WeakPolarHBondContact O-CG 3.25Å; P172-M176 PolarHBondContact O-N 3.01Å; P172-F218 HydrophobicContact CB-CE2 4.06Å; P172-F218 HydrophobicContact CB-CZ 4.4Å
173I50.9Low61.3Low61 Ų6136.1 Ų36.131%0.31319%0.191SC..Hα-helixtrans-66.6-38.1179.7-55.8177.8000111.6H171 V175 M176 N177 L283 F387H171-I173 VanDerWaalsContact C-N 3.32Å; H171-I173 PolarHBondContact ND1-N 2.97Å; H171-I173 PolarHBondContact O-N 3.44Å; I173-V175 VanDerWaalsContact C-N 3.32Å; I173-M176 PolarHBondContact O-N 3.09Å; I173-N177 VanDerWaalsContact O-CB 3.29Å; I173-N177 WeakPolarHBondContact O-CB 3.27Å; I173-N177 PolarHBondContact O-N 3.04Å; I173-L283 HydrophobicContact CB-CD2 4.06Å; I173-L283 HydrophobicContact CG2-CD2 3.99Å; I173-F387 HydrophobicContact CD1-CD2 4.49Å
174A57.6Low61.8Low1 Ų139.6 Ų39.61%0.00821%0.206CC..Hα-helixtrans-70.4-34177.700000111.1I168 H171 P172 N177 W178 L181 L283 L286I168-A174 HydrophobicContact CG2-CB 3.87Å; H171-A174 HydrophobicContact CB-CB 3.96Å; H171-A174 PolarHBondContact O-N 3.24Å; H171-A174 VanDerWaalsContact O-N 3.07Å; P172-A174 PolarHBondContact O-N 3.11Å; A174-N177 CarbonylContact O-C 3.55Å; A174-W178 WeakPolarHBondContact O-CA 3.24Å; A174-W178 PolarHBondContact O-N 3.23Å; A174-W178 VanDerWaalsContact O-N 3.15Å; A174-L181 HydrophobicContact CB-CD2 4.44Å; A174-L283 HydrophobicContact CB-CD1 3.85Å; A174-L286 HydrophobicContact CB-CD2 4.19Å
175V55.9Low62Low0 Ų039.7 Ų39.70%021%0.207CC..Hα-helixtrans-70.2-44.7173.2171.90000111.5C169 H171 P172 I173 N177 W178 F218 C221 T222 C225C169-V175 WeakPolarHBondContact O-CG2 3.35Å; H171-V175 WeakPolarHBondContact O-CG2 3.29Å; H171-V175 PolarHBondContact O-N 2.85Å; P172-V175 CarbonylContact O-C 3.11Å; P172-V175 PolarHBondContact O-N 3.35Å; I173-V175 VanDerWaalsContact C-N 3.32Å; V175-N177 VanDerWaalsContact C-N 3.34Å; V175-W178 VanDerWaalsContact O-CB 3.23Å; V175-W178 WeakPolarHBondContact O-CB 3.36Å; V175-W178 PolarHBondContact O-N 3.14Å; V175-F218 HydrophobicContact CB-CE2 4.15Å; V175-F218 HydrophobicContact CG1-CD2 4.21Å; V175-F218 HydrophobicContact CG1-CE2 3.89Å; V175-F218 HydrophobicContact CG1-CZ 4.4Å; V175-C221 VanDerWaalsContact CG1-C 3.48Å; V175-C221 HydrophobicContact CG1-CB 3.42Å; V175-C221 VanDerWaalsContact CG1-CB 3.42Å; V175-T222 VanDerWaalsContact CG1-N 3.33Å; V175-C225 HydrophobicContact CG2-CB 4.45Å
176M54.6Low61.6Low135 Ų13542.2 Ų42.267%0.66522%0.22SC*.Hα-helixtrans-69.4-33.7179-69.1-154.7-161.900111.8P172 I173 W178P172-M176 WeakPolarHBondContact O-CB 3.32Å; P172-M176 WeakPolarHBondContact O-CG 3.25Å; P172-M176 PolarHBondContact O-N 3.01Å; I173-M176 PolarHBondContact O-N 3.09Å; M176-W178 VanDerWaalsContact C-N 3.31Å; M176-W178 PolarHBondContact O-N 3.43Å
177N62.2Low60.8Low50 Ų5043.6 Ų43.627%0.26724%0.24SC..THydrogen-bonded Turntrans-89.618.5173.2-73.7-34.8000113.6I173 A174 V175 K179 N180 L181I173-N177 VanDerWaalsContact O-CB 3.29Å; I173-N177 WeakPolarHBondContact O-CB 3.27Å; I173-N177 PolarHBondContact O-N 3.04Å; A174-N177 CarbonylContact O-C 3.55Å; V175-N177 VanDerWaalsContact C-N 3.34Å; N177-K179 PolarHBondContact O-N 3.48Å; N177-K179 VanDerWaalsContact O-N 3.1Å; N177-N180 PolarHBondContact O-N 3.23Å; N177-L181 WeakPolarHBondContact O-CB 3.14Å; N177-L181 PolarHBondContact O-N 2.92Å
178W69.2Low59.5Low19 Ų1944.5 Ų44.57%0.07225%0.247CC..Hα-helixtrans-56.2-35.1-171.673.5-86000113.7A174 V175 M176 L181 L182 W220 N224 C225A174-W178 WeakPolarHBondContact O-CA 3.24Å; A174-W178 PolarHBondContact O-N 3.23Å; A174-W178 VanDerWaalsContact O-N 3.15Å; V175-W178 VanDerWaalsContact O-CB 3.23Å; V175-W178 WeakPolarHBondContact O-CB 3.36Å; V175-W178 PolarHBondContact O-N 3.14Å; M176-W178 VanDerWaalsContact C-N 3.31Å; M176-W178 PolarHBondContact O-N 3.43Å; W178-L181 PolarHBondContact O-N 3.21Å; W178-L182 HydrophobicContact CE3-CD1 3.42Å; W178-L182 VanDerWaalsContact CE3-CD1 3.42Å; W178-L182 HydrophobicContact CE3-CG 4.28Å; W178-L182 HydrophobicContact CZ3-CD1 3.6Å; W178-L182 WeakPolarHBondContact O-CB 3.4Å; W178-L182 VanDerWaalsContact O-CG 3.28Å; W178-L182 WeakPolarHBondContact O-CG 3.47Å; W178-L182 PolarHBondContact O-N 3.49Å; W178-W220 HydrophobicContact CZ2-CH2 4.46Å; W178-W220 HydrophobicContact CZ2-CZ3 4.39Å; W178-N224 HydrophobicContact CD2-CB 4.1Å; W178-N224 HydrophobicContact CE3-CB 4.14Å; W178-N224 HydrophobicContact CH2-CB 4.01Å; W178-N224 HydrophobicContact CZ2-CB 3.96Å; W178-N224 HydrophobicContact CZ3-CB 4.1Å; W178-C225 HydrophobicContact CB-CB 3.79Å
179K65.7Low58Low120 Ų12052.7 Ų52.752%0.52229%0.29SS..Hα-helixtrans-62.1-48.1175.6-79.5-172.3175.8179.70111.7N177 L181 L182 N183N177-K179 PolarHBondContact O-N 3.48Å; N177-K179 VanDerWaalsContact O-N 3.1Å; K179-L181 VanDerWaalsContact C-N 3.35Å; K179-L182 PolarHBondContact O-N 3.47Å; K179-N183 WeakPolarHBondContact O-CB 3.19Å; K179-N183 PolarHBondContact O-N 3.08Å; K179-N183 PolarHBondContact O-ND2 2.83Å; K179-N183 PolarHBondContact O-OD1 3.27Å
180N68.7Low56.6Low84 Ų8458.3 Ų58.345%0.44933%0.325SS..Hα-helixtrans-66.6-42.4178.8-63.3-19.2000110.4N177 L182 N183 E184 F281N177-N180 PolarHBondContact O-N 3.23Å; N180-L182 PolarHBondContact O-N 2.68Å; N180-N183 PolarHBondContact O-N 3.25Å; N180-E184 PolarHBondContact O-N 3.47Å; N180-F281 VanDerWaalsContact C-CZ 3.42Å; N180-F281 HydrophobicContact CB-CE1 3.63Å; N180-F281 HydrophobicContact CB-CZ 3.68Å; N180-F281 WeakPolarHBondContact O-CZ 3.33Å
181L70.4Confident55.6Low1 Ų159.6 Ų59.61%0.00533%0.328CS..Hα-helixtrans-56-48.4175.4-177.268.1000111.4I168 A174 N177 W178 K179 L185 L229 T277 L278 F281I168-L181 HydrophobicContact CG2-CD2 3.87Å; A174-L181 HydrophobicContact CB-CD2 4.44Å; N177-L181 WeakPolarHBondContact O-CB 3.14Å; N177-L181 PolarHBondContact O-N 2.92Å; W178-L181 PolarHBondContact O-N 3.21Å; K179-L181 VanDerWaalsContact C-N 3.35Å; L181-L185 HydrophobicContact CD1-CD1 4.04Å; L181-L185 HydrophobicContact CG-CD1 3.89Å; L181-L185 WeakPolarHBondContact O-CB 3.36Å; L181-L185 WeakPolarHBondContact O-CD1 3.27Å; L181-L185 WeakPolarHBondContact O-CG 3.38Å; L181-L185 PolarHBondContact O-N 3.39Å; L181-L185 VanDerWaalsContact O-N 3.11Å; L181-L229 HydrophobicContact CD2-CD2 4.47Å; L181-T277 HydrophobicContact CD1-CG2 4.03Å; L181-L278 HydrophobicContact CD1-CD2 3.77Å; L181-F281 HydrophobicContact CB-CE2 4.3Å; L181-F281 HydrophobicContact CD1-CD2 3.93Å; L181-F281 HydrophobicContact CD1-CE2 4Å
182L70.7Confident54.8Low10 Ų1065.2 Ų65.25%0.05236%0.358CS..Hα-helixtrans-70.5-35.8179.5-69.5-180000113.2W178 K179 N180 E184 L185 I186 G228W178-L182 HydrophobicContact CE3-CD1 3.42Å; W178-L182 VanDerWaalsContact CE3-CD1 3.42Å; W178-L182 HydrophobicContact CE3-CG 4.28Å; W178-L182 HydrophobicContact CZ3-CD1 3.6Å; W178-L182 WeakPolarHBondContact O-CB 3.4Å; W178-L182 VanDerWaalsContact O-CG 3.28Å; W178-L182 WeakPolarHBondContact O-CG 3.47Å; W178-L182 PolarHBondContact O-N 3.49Å; K179-L182 PolarHBondContact O-N 3.47Å; N180-L182 PolarHBondContact O-N 2.68Å; L182-E184 VanDerWaalsContact C-N 3.33Å; L182-E184 PolarHBondContact O-N 3.33Å; L182-L185 PolarHBondContact O-N 2.88Å; L182-I186 HydrophobicContact CB-CD1 4.45Å; L182-I186 WeakPolarHBondContact O-CB 3.17Å; L182-I186 WeakPolarHBondContact O-CD1 3.47Å; L182-I186 VanDerWaalsContact O-CG1 3.23Å; L182-I186 WeakPolarHBondContact O-CG1 3.48Å; L182-I186 PolarHBondContact O-N 2.83Å; L182-I186 VanDerWaalsContact O-N 3.15Å; L182-G228 VanDerWaalsContact CD2-CA 3.49Å
183N69.9Low54.2Low109 Ų10966.4 Ų66.458%0.58337%0.367SS*.Hα-helixtrans-61.4-43176.8-73.1-12.1000111.4K179 N180 I186K179-N183 WeakPolarHBondContact O-CB 3.19Å; K179-N183 PolarHBondContact O-N 3.08Å; K179-N183 PolarHBondContact O-ND2 2.83Å; K179-N183 PolarHBondContact O-OD1 3.27Å; N180-N183 PolarHBondContact O-N 3.25Å; N183-I186 PolarHBondContact O-N 2.78Å
184E71.7Confident53.3Low99 Ų9969.2 Ų69.246%0.46338%0.381SS..Hα-helixtrans-66.6-37.6175.2-84.4-87.5140.800112.7N180 L182 I186 T277 F281N180-E184 PolarHBondContact O-N 3.47Å; L182-E184 VanDerWaalsContact C-N 3.33Å; L182-E184 PolarHBondContact O-N 3.33Å; E184-I186 VanDerWaalsContact C-N 3.25Å; E184-I186 PolarHBondContact O-N 2.82Å; E184-T277 HydrophobicContact CB-CG2 3.45Å; E184-T277 VanDerWaalsContact CB-CG2 3.45Å; E184-T277 HydrophobicContact CG-CG2 4.23Å; E184-F281 HydrophobicContact CB-CE2 4.12Å; E184-F281 HydrophobicContact CB-CZ 4.35Å; E184-F281 HydrophobicContact CG-CE2 3.91Å; E184-F281 HydrophobicContact CG-CZ 3.77Å
185L68.9Low52Low4 Ų472.1 Ų72.12%0.02141%0.411CS..Hα-helixtrans-74.8-13.3-178.5-68.4171.9000113.1L181 L182 L229 F232 L274 T277L181-L185 HydrophobicContact CD1-CD1 4.04Å; L181-L185 HydrophobicContact CG-CD1 3.89Å; L181-L185 WeakPolarHBondContact O-CB 3.36Å; L181-L185 WeakPolarHBondContact O-CD1 3.27Å; L181-L185 WeakPolarHBondContact O-CG 3.38Å; L181-L185 PolarHBondContact O-N 3.39Å; L181-L185 VanDerWaalsContact O-N 3.11Å; L182-L185 PolarHBondContact O-N 2.88Å; L185-L229 HydrophobicContact CD1-CD2 3.69Å; L185-F232 HydrophobicContact CB-CD2 3.7Å; L185-F232 HydrophobicContact CB-CE2 3.94Å; L185-F232 HydrophobicContact CB-CG 4.29Å; L185-F232 HydrophobicContact CD2-CE2 4.15Å; L185-F232 HydrophobicContact CD2-CZ 4.2Å; L185-F232 WeakPolarHBondContact O-CD2 3.19Å; L185-F232 WeakPolarHBondContact O-CE2 3.39Å; L185-L274 HydrophobicContact CD1-CD1 3.67Å; L185-L274 HydrophobicContact CD2-CD1 3.7Å; L185-L274 HydrophobicContact CG-CD1 4.37Å; L185-T277 HydrophobicContact CD2-CG2 3.89Å; L185-T277 HydrophobicContact CG-CG2 4.01Å
186I58.1Low50.9Low55 Ų5576.4 Ų76.428%0.28243%0.433SS..  trans-114.7111.7-174-61.6169000111.9L182 N183 E184 C188L182-I186 HydrophobicContact CB-CD1 4.45Å; L182-I186 WeakPolarHBondContact O-CB 3.17Å; L182-I186 WeakPolarHBondContact O-CD1 3.47Å; L182-I186 VanDerWaalsContact O-CG1 3.23Å; L182-I186 WeakPolarHBondContact O-CG1 3.48Å; L182-I186 PolarHBondContact O-N 2.83Å; L182-I186 VanDerWaalsContact O-N 3.15Å; N183-I186 PolarHBondContact O-N 2.78Å; E184-I186 VanDerWaalsContact C-N 3.25Å; E184-I186 PolarHBondContact O-N 2.82Å; I186-C188 HydrophobicContact CG2-CB 3.9Å; I186-C188 PolarHBondContact O-N 2.82Å
187G42.4Very low49.9Very low67 Ų6772 Ų7269%0.69141%0.411SS*.  trans-78.247.9167.200000114.5
188C32.4Very low48.3Very low33 Ų3376.4 Ų76.422%0.22343%0.431CS..  trans-146.899.4174.7-77.30000110.3I186 T190 R239I186-C188 HydrophobicContact CG2-CB 3.9Å; I186-C188 PolarHBondContact O-N 2.82Å; C188-T190 PolarHBondContact O-N 2.76Å; C188-R239 PolarHBondContact SG-NH1 3.38Å; C188-R239 VanDerWaalsContact SG-NH1 3.38Å; C188-R239 PolarHBondContact SG-NH2 2.82Å
189N32.4Very low46.3Very low171 Ų17183.3 Ų83.391%0.91447%0.47SS*.THydrogen-bonded Turntrans-64.125.1173.8-59.1-12.7000114
190T32.5Very low44.6Very low119 Ų11980.1 Ų80.173%0.7346%0.463SS*.THydrogen-bonded Turntrans-139.79.8-165.251.60000115.2C188C188-T190 PolarHBondContact O-N 2.76Å
191I32Very low42.7Very low70 Ų7083.3 Ų83.336%0.35948%0.48SS..  trans-103.4102.2171.9-55.9174.9000107.6S193 I196I191-S193 VanDerWaalsContact C-N 3.34Å; I191-S193 PolarHBondContact O-N 2.94Å; I191-I196 HydrophobicContact CG2-CD1 3.56Å; I191-I196 HydrophobicContact CG2-CG1 4.4Å
192D35.3Very low40.7Very low130 Ų13089.1 Ų89.170%0.69551%0.511SS*.  trans-54.2102.7164.3-97-30.9000107.9I194 G195D192-I194 PolarHBondContact O-N 3.4Å; D192-G195 PolarHBondContact O-N 3.24Å
193S35.5Very low38.6Very low56 Ų5692.9 Ų92.939%0.39254%0.538SS..THydrogen-bonded Turntrans-55.6-5.8176.252.70000113.4I191 F197I191-S193 VanDerWaalsContact C-N 3.34Å; I191-S193 PolarHBondContact O-N 2.94Å; S193-F197 WeakPolarHBondContact O-CD2 3.42Å
194I33.9Very low36.7Very low120 Ų12095.8 Ų95.862%0.61555%0.548SS*.THydrogen-bonded Turntrans-90.3-31.3178.7-59.7164.1000111.5D192 M198D192-I194 PolarHBondContact O-N 3.4Å; I194-M198 WeakPolarHBondContact O-CG 3.41Å
195G29.6Very low35Very low62 Ų6295.7 Ų95.764%0.63955%0.55SS*.THydrogen-bonded Turntrans-82-31.6-169.100000115.8D192D192-G195 PolarHBondContact O-N 3.24Å
196I32.3Very low33.1Very low90 Ų90104.4 Ų104.446%0.46259%0.59SS.*THydrogen-bonded Turntrans-87.4-17.3-175.1-59.5-179.8000112.1I191I191-I196 HydrophobicContact CG2-CD1 3.56Å; I191-I196 HydrophobicContact CG2-CG1 4.4Å
197F34Very low31.8Very low44 Ų44108.5 Ų108.519%0.19361%0.613CS.*THydrogen-bonded Turntrans-102-13-169.3-68.3-90.9000114.9S193 N199 R227S193-F197 WeakPolarHBondContact O-CD2 3.42Å; F197-N199 VanDerWaalsContact C-N 3.32Å; F197-N199 PolarHBondContact O-N 2.97Å; F197-R227 HydrophobicContact CD1-CB 4.39Å; F197-R227 HydrophobicContact CE1-CB 3.75Å
198M28.1Very low31.1Very low141 Ų141112.8 Ų112.870%0.69562%0.62SS**  trans-78.8-3.4-172.9-80.9-74.8-116.100115.4I194 S200I194-M198 WeakPolarHBondContact O-CG 3.41Å; M198-S200 PolarHBondContact O-N 3.14Å
199N28.2Very low31.3Very low164 Ų164116.7 Ų116.788%0.87764%0.639SS**  trans-98.428.4-165.3-127.710.4000116.7F197F197-N199 VanDerWaalsContact C-N 3.32Å; F197-N199 PolarHBondContact O-N 2.97Å
200S29Very low31.6Very low54 Ų54112.8 Ų112.838%0.37863%0.625SS.*SBendtrans-140.293.816852.40000111.4M198 N202 R227M198-S200 PolarHBondContact O-N 3.14Å; S200-N202 PolarHBondContact O-N 3.23Å; S200-R227 PolarHBondContact OG-NH1 3.12Å; S200-R227 PolarHBondContact OG-NH2 3.07Å
201N28.8Very low31.7Very low151 Ų151113 Ų11381%0.80762%0.621SS**  trans38.873.6157.2-64.2-7.7000117.8S203N201-S203 PolarHBondContact O-N 2.95Å
202N28.5Very low31.8Very low122 Ų122114 Ų11465%0.65263%0.626SS**  trans-80.835.3165.7-96.7-2.3000113.5S200S200-N202 PolarHBondContact O-N 3.23Å
203S27.2Very low31.9Very low89 Ų89113 Ų11362%0.62262%0.615SS**  trans-94.511.5-175.363.80000115.6N201N201-S203 PolarHBondContact O-N 2.95Å
204H30.3Very low32.2Very low171 Ų171116 Ų11679%0.79263%0.627SS**SBendtrans-124.213.7-171.9-88.4-56.2000117.9
205L34.9Very low32.6Very low97 Ų97112.7 Ų112.751%0.50861%0.61SS.*  trans-120.958-175.9-109.1137.4000112.1E216L205-E216 HydrophobicContact CD1-CB 4.16Å; L205-E216 HydrophobicContact CD1-CG 4.34Å; L205-E216 HydrophobicContact CD2-CB 4Å; L205-E216 HydrophobicContact CD2-CG 4.28Å; L205-E216 WeakPolarHBondContact CD2-OE2 3.4Å
206Q29.4Very low33.4Very low187 Ų187113 Ų11387%0.87460%0.595SS**  trans-123.177.4158.3-76.8-167.9-6.400108
207N30.7Very low34.2Very low141 Ų141112.9 Ų112.975%0.75460%0.595SS**  trans-136.6133.3158.5-89.4-24.5000108.9D209N207-D209 VanDerWaalsContact C-N 3.27Å; N207-D209 PolarHBondContact O-N 3.38Å; N207-D209 VanDerWaalsContact O-N 3.15Å
208N28.5Very low34.8Very low156 Ų156112.4 Ų112.483%0.83459%0.593SS**  trans-84.129.9-163.1-89.4-15.2000114.7S210N208-S210 PolarHBondContact O-N 3.43Å
209D35.3Very low35.8Very low116 Ų116109 Ų10962%0.6258%0.577SS**  trans-92.3100.3174.9-70.9-27.8000109.6N207 N211 M212N207-D209 VanDerWaalsContact C-N 3.27Å; N207-D209 PolarHBondContact O-N 3.38Å; N207-D209 VanDerWaalsContact O-N 3.15Å; D209-N211 PolarHBondContact O-N 3.25Å; D209-M212 PolarHBondContact O-N 3.19Å
210S40Very low37Very low89 Ų89106.9 Ų106.962%0.62256%0.557SS**THydrogen-bonded Turntrans-53.7-21.7-176.754.70000114.3N208N208-S210 PolarHBondContact O-N 3.43Å
211N34.8Very low38.1Very low123 Ų123105.5 Ų105.566%0.65855%0.547SS*.THydrogen-bonded Turntrans-86.2-17.8-179.1-66.8-3.3000113.9D209D209-N211 PolarHBondContact O-N 3.25Å
212M32.8Very low39.2Very low91 Ų9198.8 Ų98.845%0.44851%0.511SS..THydrogen-bonded Turntrans-89.5-20.9177.3-76.2-68.8-179.700113D209 D214 L215 E216D209-M212 PolarHBondContact O-N 3.19Å; M212-D214 VanDerWaalsContact C-N 3.32Å; M212-D214 PolarHBondContact O-N 3.37Å; M212-L215 PolarHBondContact O-N 2.86Å; M212-L215 HydrophobicContact SD-CD2 4.37Å; M212-E216 PolarHBondContact O-N 3.41Å
213K38.6Very low40.2Very low108 Ų10894.5 Ų94.547%0.4749%0.491SS..Hα-helixtrans-57.1-42.5177.6-92.4-179.5173.8173.40112.8L215 E216 D217K213-L215 VanDerWaalsContact C-N 3.31Å; K213-L215 PolarHBondContact O-N 3.4Å; K213-E216 PolarHBondContact O-N 3.34Å; K213-D217 WeakPolarHBondContact O-CB 3.32Å; K213-D217 PolarHBondContact O-N 3.34Å
214D41.4Very low41.5Very low120 Ų12090.4 Ų90.464%0.64246%0.462SS*.Hα-helixtrans-65.8-34.8-178.1-67.5-24.6000112.3M212 F218M212-D214 VanDerWaalsContact C-N 3.32Å; M212-D214 PolarHBondContact O-N 3.37Å; D214-F218 WeakPolarHBondContact O-CB 3.47Å; D214-F218 PolarHBondContact O-N 3.19Å
215L43.1Very low43.1Very low51 Ų5182.3 Ų82.327%0.26743%0.425SS..Hα-helixtrans-72.2-45.6176.4-176.770.5000111.2M212 K213 F218 L219 L400 T404M212-L215 PolarHBondContact O-N 2.86Å; M212-L215 HydrophobicContact SD-CD2 4.37Å; K213-L215 VanDerWaalsContact C-N 3.31Å; K213-L215 PolarHBondContact O-N 3.4Å; L215-F218 PolarHBondContact O-N 2.85Å; L215-L219 HydrophobicContact CG-CD1 4.1Å; L215-L219 WeakPolarHBondContact O-CB 3.36Å; L215-L219 VanDerWaalsContact O-CG 3.23Å; L215-L219 WeakPolarHBondContact O-CG 3.3Å; L215-L219 PolarHBondContact O-N 3.38Å; L215-L400 HydrophobicContact CD1-CD2 3.63Å; L215-L400 HydrophobicContact CD1-CG 4.11Å; L215-T404 HydrophobicContact CD1-CG2 4.38Å
216E45.3Very low44.3Very low69 Ų6979.9 Ų79.932%0.32241%0.409SS..Hα-helixtrans-64.5-40.6177.3-74.5178.1130.200111.4L205 M212 K213 L219 W220L205-E216 HydrophobicContact CD1-CB 4.16Å; L205-E216 HydrophobicContact CD1-CG 4.34Å; L205-E216 HydrophobicContact CD2-CB 4Å; L205-E216 HydrophobicContact CD2-CG 4.28Å; L205-E216 WeakPolarHBondContact CD2-OE2 3.4Å; M212-E216 PolarHBondContact O-N 3.41Å; K213-E216 PolarHBondContact O-N 3.34Å; E216-L219 PolarHBondContact O-N 3.45Å; E216-W220 WeakPolarHBondContact O-CB 3.25Å; E216-W220 PolarHBondContact O-N 2.95Å
217D48.6Very low45.7Very low86 Ų8674.2 Ų74.246%0.4638%0.38SS..Hα-helixtrans-64.5-41.7175.6-75.6-17.7000111.4K213 W220 C221K213-D217 WeakPolarHBondContact O-CB 3.32Å; K213-D217 PolarHBondContact O-N 3.34Å; D217-W220 PolarHBondContact O-N 3.44Å; D217-C221 WeakPolarHBondContact O-CB 3.49Å; D217-C221 PolarHBondContact O-N 3.47Å; D217-C221 PolarHBondContact O-SG 3.45Å
218F47.1Very low47.2Very low35 Ų3567.7 Ų67.715%0.15435%0.345CS..Hα-helixtrans-65.2-47.1175-176.6-100.8000111.9P172 V175 D214 L215 W220 C221 T222 L400P172-F218 HydrophobicContact CB-CE2 4.06Å; P172-F218 HydrophobicContact CB-CZ 4.4Å; V175-F218 HydrophobicContact CB-CE2 4.15Å; V175-F218 HydrophobicContact CG1-CD2 4.21Å; V175-F218 HydrophobicContact CG1-CE2 3.89Å; V175-F218 HydrophobicContact CG1-CZ 4.4Å; D214-F218 WeakPolarHBondContact O-CB 3.47Å; D214-F218 PolarHBondContact O-N 3.19Å; L215-F218 PolarHBondContact O-N 2.85Å; F218-W220 VanDerWaalsContact C-N 3.27Å; F218-W220 PolarHBondContact O-N 3.25Å; F218-C221 PolarHBondContact O-N 3.46Å; F218-T222 PolarHBondContact O-N 2.84Å; F218-T222 PolarHBondContact O-OG1 2.89Å; F218-T222 VanDerWaalsContact O-OG1 3.07Å; F218-L400 HydrophobicContact CD1-CD1 3.98Å; F218-L400 HydrophobicContact CE1-CD1 3.93Å
219L48.8Very low49.2Very low69 Ų6960.2 Ų60.236%0.36131%0.305SS..Hα-helixtrans-59.8-40.6176.5-73.5169.3000111.5P135 L215 E216 T222 S223P135-L219 HydrophobicContact CB-CD2 4.33Å; P135-L219 HydrophobicContact CG-CD2 3.69Å; L215-L219 HydrophobicContact CG-CD1 4.1Å; L215-L219 WeakPolarHBondContact O-CB 3.36Å; L215-L219 VanDerWaalsContact O-CG 3.23Å; L215-L219 WeakPolarHBondContact O-CG 3.3Å; L215-L219 PolarHBondContact O-N 3.38Å; E216-L219 PolarHBondContact O-N 3.45Å; L219-T222 PolarHBondContact O-N 3.42Å; L219-S223 WeakPolarHBondContact O-CB 3.48Å; L219-S223 PolarHBondContact O-N 2.91Å
220W53.5Low50.8Low120 Ų12055.7 Ų55.746%0.45528%0.28SS..Hα-helixtrans-64.6-45.1175.4-174.484.3000111.5W178 E216 D217 F218 T222 S223 N224W178-W220 HydrophobicContact CZ2-CH2 4.46Å; W178-W220 HydrophobicContact CZ2-CZ3 4.39Å; E216-W220 WeakPolarHBondContact O-CB 3.25Å; E216-W220 PolarHBondContact O-N 2.95Å; D217-W220 PolarHBondContact O-N 3.44Å; F218-W220 VanDerWaalsContact C-N 3.27Å; F218-W220 PolarHBondContact O-N 3.25Å; W220-T222 PolarHBondContact O-N 3.46Å; W220-S223 PolarHBondContact O-N 3.27Å; W220-N224 WeakPolarHBondContact CH2-ND2 3.34Å; W220-N224 WeakPolarHBondContact CZ2-ND2 3.46Å; W220-N224 WeakPolarHBondContact CZ3-ND2 3.18Å; W220-N224 PolarHBondContact O-N 2.88Å; W220-N224 PolarHBondContact O-ND2 3.17Å
221C52.5Low52Low24 Ų2454.7 Ų54.716%0.16227%0.265CS..Hα-helixtrans-61.7-41.9173.8-69.50000111.8V175 D217 F218 S223 N224 C225V175-C221 VanDerWaalsContact CG1-C 3.48Å; V175-C221 HydrophobicContact CG1-CB 3.42Å; V175-C221 VanDerWaalsContact CG1-CB 3.42Å; D217-C221 WeakPolarHBondContact O-CB 3.49Å; D217-C221 PolarHBondContact O-N 3.47Å; D217-C221 PolarHBondContact O-SG 3.45Å; F218-C221 PolarHBondContact O-N 3.46Å; C221-S223 VanDerWaalsContact C-N 3.34Å; C221-S223 PolarHBondContact O-N 3.22Å; C221-N224 PolarHBondContact O-N 3.24Å; C221-C225 VanDerWaalsContact O-CB 3.29Å; C221-C225 WeakPolarHBondContact O-CB 3.47Å; C221-C225 PolarHBondContact O-N 3.3Å
222T51.4Low53.9Low10 Ų1049 Ų496%0.06124%0.235CC..Hα-helixtrans-60.1-46175.5-61.40000110.5C169 V175 F218 L219 W220 C225 R226C169-T222 HydrophobicContact CB-CG2 4.11Å; C169-T222 WeakPolarHBondContact O-CG2 2.91Å; V175-T222 VanDerWaalsContact CG1-N 3.33Å; F218-T222 PolarHBondContact O-N 2.84Å; F218-T222 PolarHBondContact O-OG1 2.89Å; F218-T222 VanDerWaalsContact O-OG1 3.07Å; L219-T222 PolarHBondContact O-N 3.42Å; W220-T222 PolarHBondContact O-N 3.46Å; T222-C225 PolarHBondContact O-N 3.39Å; T222-R226 WeakPolarHBondContact O-CG 3.37Å; T222-R226 PolarHBondContact O-N 2.92Å
223S50.1Low55.7Low33 Ų3344.6 Ų44.623%0.23121%0.213CC..Hα-helixtrans-60.6-45.9177.5-176.20000111.6L219 W220 C221 R226 R227L219-S223 WeakPolarHBondContact O-CB 3.48Å; L219-S223 PolarHBondContact O-N 2.91Å; W220-S223 PolarHBondContact O-N 3.27Å; C221-S223 VanDerWaalsContact C-N 3.34Å; C221-S223 PolarHBondContact O-N 3.22Å; S223-R226 PolarHBondContact O-N 2.92Å; S223-R227 WeakPolarHBondContact O-CG 3.47Å; S223-R227 PolarHBondContact O-N 3.33Å
224N54.6Low56.9Low3 Ų339.9 Ų39.92%0.01619%0.194CC..Hα-helixtrans-65.5-41.2177.9-73-32.5000113W178 W220 C221 R226 R227 G228W178-N224 HydrophobicContact CD2-CB 4.1Å; W178-N224 HydrophobicContact CE3-CB 4.14Å; W178-N224 HydrophobicContact CH2-CB 4.01Å; W178-N224 HydrophobicContact CZ2-CB 3.96Å; W178-N224 HydrophobicContact CZ3-CB 4.1Å; W220-N224 WeakPolarHBondContact CH2-ND2 3.34Å; W220-N224 WeakPolarHBondContact CZ2-ND2 3.46Å; W220-N224 WeakPolarHBondContact CZ3-ND2 3.18Å; W220-N224 PolarHBondContact O-N 2.88Å; W220-N224 PolarHBondContact O-ND2 3.17Å; C221-N224 PolarHBondContact O-N 3.24Å; N224-R226 VanDerWaalsContact C-N 3.35Å; N224-R226 PolarHBondContact O-N 2.59Å; N224-R227 PolarHBondContact O-N 3.17Å; N224-G228 PolarHBondContact O-N 3.47Å
225C64.1Low58.1Low0 Ų035.9 Ų35.90%017%0.172CC..Hα-helixtrans-59.3-46.9173.9-172.20000110.6V175 W178 C221 T222 R227 G228 L229V175-C225 HydrophobicContact CG2-CB 4.45Å; W178-C225 HydrophobicContact CB-CB 3.79Å; C221-C225 VanDerWaalsContact O-CB 3.29Å; C221-C225 WeakPolarHBondContact O-CB 3.47Å; C221-C225 PolarHBondContact O-N 3.3Å; T222-C225 PolarHBondContact O-N 3.39Å; C225-R227 PolarHBondContact O-N 3.27Å; C225-G228 PolarHBondContact O-N 2.85Å; C225-L229 WeakPolarHBondContact O-CG 3.33Å; C225-L229 PolarHBondContact O-N 3.12Å
226R60.8Low59.3Low47 Ų4734.3 Ų34.318%0.17716%0.164CC..Hα-helixtrans-58.3-50.1176.7-74.9-179.2176.6173.4-0.4111.9P135 I165 C169 T222 S223 N224 G228 L229 F230P135-R226 PolarHBondContact O-NH1 3.01Å; I165-R226 HydrophobicContact CG2-CB 4.09Å; I165-R226 HydrophobicContact CG2-CG 3.82Å; C169-R226 HydrophobicContact CB-CG 3.52Å; C169-R226 VanDerWaalsContact SG-CA 3.51Å; C169-R226 WeakPolarHBondContact SG-CG 3.1Å; C169-R226 PolarHBondContact SG-N 2.98Å; T222-R226 WeakPolarHBondContact O-CG 3.37Å; T222-R226 PolarHBondContact O-N 2.92Å; S223-R226 PolarHBondContact O-N 2.92Å; N224-R226 VanDerWaalsContact C-N 3.35Å; N224-R226 PolarHBondContact O-N 2.59Å; R226-G228 VanDerWaalsContact C-N 3.34Å; R226-G228 PolarHBondContact O-N 3.33Å; R226-L229 PolarHBondContact O-N 3.06Å; R226-F230 WeakPolarHBondContact O-CD2 3.25Å; R226-F230 PolarHBondContact O-N 2.9Å
227R58Low60.3Low68 Ų6831.5 Ų31.526%0.25715%0.151SC..Hα-helixtrans-59-45.9179-75172.4176.5-172.2-5.6111.5D142 F197 S200 S223 N224 C225 F230 H231D142-R227 IonicContact OD1-NH2 2.59Å; D142-R227 PolarHBondContact OD1-NH2 3.25Å; D142-R227 IonicContact OD2-NE 3.96Å; D142-R227 IonicContact OD2-NH2 2.83Å; F197-R227 HydrophobicContact CD1-CB 4.39Å; F197-R227 HydrophobicContact CE1-CB 3.75Å; S200-R227 PolarHBondContact OG-NH1 3.12Å; S200-R227 PolarHBondContact OG-NH2 3.07Å; S223-R227 WeakPolarHBondContact O-CG 3.47Å; S223-R227 PolarHBondContact O-N 3.33Å; N224-R227 PolarHBondContact O-N 3.17Å; C225-R227 PolarHBondContact O-N 3.27Å; R227-F230 PolarHBondContact O-N 3.39Å; R227-H231 WeakPolarHBondContact O-CB 3.36Å; R227-H231 PolarHBondContact O-N 3.49Å
228G62.6Low61Low3 Ų329.8 Ų29.83%0.03114%0.141CC..Hα-helixtrans-62-44.4177.700000113.2L182 N224 C225 R226 H231 F232L182-G228 VanDerWaalsContact CD2-CA 3.49Å; N224-G228 PolarHBondContact O-N 3.47Å; C225-G228 PolarHBondContact O-N 2.85Å; R226-G228 VanDerWaalsContact C-N 3.34Å; R226-G228 PolarHBondContact O-N 3.33Å; G228-H231 WeakPolarHBondContact O-CB 3.32Å; G228-H231 PolarHBondContact O-N 3.36Å; G228-F232 PolarHBondContact O-N 3.18Å
229L70.4Confident61.8Low0 Ų033 Ų330%015%0.152CC..Hα-helixtrans-65.8-41.4177.3-68.3174.4000111.9I165 I168 L181 L185 C225 R226 H231 F232 F233 L274I165-L229 HydrophobicContact CD1-CB 4.23Å; I165-L229 HydrophobicContact CG1-CB 3.85Å; I165-L229 HydrophobicContact CG1-CD1 4.38Å; I165-L229 HydrophobicContact CG2-CD1 4.48Å; I168-L229 HydrophobicContact CB-CD1 3.76Å; I168-L229 HydrophobicContact CD1-CD1 4.02Å; I168-L229 HydrophobicContact CD1-CD2 4.36Å; I168-L229 HydrophobicContact CG1-CD1 4.48Å; I168-L229 HydrophobicContact CG2-CD1 3.69Å; L181-L229 HydrophobicContact CD2-CD2 4.47Å; L185-L229 HydrophobicContact CD1-CD2 3.69Å; C225-L229 WeakPolarHBondContact O-CG 3.33Å; C225-L229 PolarHBondContact O-N 3.12Å; R226-L229 PolarHBondContact O-N 3.06Å; L229-H231 VanDerWaalsContact C-N 3.25Å; L229-H231 PolarHBondContact O-N 3.17Å; L229-F232 WeakPolarHBondContact O-CB 3.48Å; L229-F232 PolarHBondContact O-N 3.49Å; L229-F233 VanDerWaalsContact O-CD2 3.27Å; L229-F233 WeakPolarHBondContact O-CD2 3.14Å; L229-F233 PolarHBondContact O-N 3.47Å; L229-L274 HydrophobicContact CD2-CD1 4.21Å
230F67.9Low62.4Low21 Ų2132.4 Ų32.49%0.09215%0.15CC..Hα-helixtrans-56.5-43.6172.3-95.3-63.5000111.8L150 I161 F162 I165 R226 R227 F233 S234L150-F230 HydrophobicContact CD1-CD1 4.3Å; L150-F230 HydrophobicContact CD1-CE1 4.25Å; I161-F230 HydrophobicContact CG2-CE1 4Å; F162-F230 HydrophobicContact CD1-CE2 4.33Å; F162-F230 AromaticContact CD1-CZ 3.66Å; F162-F230 HydrophobicContact CD1-CZ 3.66Å; F162-F230 HydrophobicContact CD2-CZ 4.46Å; F162-F230 HydrophobicContact CE1-CE1 4.14Å; F162-F230 AromaticContact CE1-CE2 3.77Å; F162-F230 HydrophobicContact CE1-CE2 3.77Å; F162-F230 AromaticContact CE1-CZ 3.16Å; F162-F230 HydrophobicContact CE1-CZ 3.16Å; F162-F230 HydrophobicContact CE2-CE1 4.3Å; F162-F230 HydrophobicContact CE2-CZ 4.06Å; F162-F230 HydrophobicContact CG-CZ 4.25Å; F162-F230 AromaticContact CZ-CE1 3.9Å; F162-F230 HydrophobicContact CZ-CE1 3.9Å; F162-F230 HydrophobicContact CZ-CE2 4.25Å; F162-F230 AromaticContact CZ-CZ 3.36Å; F162-F230 HydrophobicContact CZ-CZ 3.36Å; I165-F230 HydrophobicContact CD1-CB 4.35Å; I165-F230 HydrophobicContact CD1-CD1 3.65Å; I165-F230 HydrophobicContact CD1-CD2 3.57Å; I165-F230 HydrophobicContact CD1-CE1 3.54Å; I165-F230 HydrophobicContact CD1-CE2 3.46Å; I165-F230 VanDerWaalsContact CD1-CE2 3.46Å; I165-F230 HydrophobicContact CD1-CG 3.61Å; I165-F230 HydrophobicContact CD1-CZ 3.38Å; I165-F230 HydrophobicContact CG2-CD2 4.38Å; I165-F230 HydrophobicContact CG2-CE2 4.01Å; R226-F230 WeakPolarHBondContact O-CD2 3.25Å; R226-F230 PolarHBondContact O-N 2.9Å; R227-F230 PolarHBondContact O-N 3.39Å; F230-F233 PolarHBondContact O-N 3.3Å; F230-S234 WeakPolarHBondContact O-CB 3.41Å; F230-S234 PolarHBondContact O-N 2.91Å; F230-S234 PolarHBondContact O-OG 3.31Å
231H65.4Low62.7Low67 Ų6728.6 Ų28.631%0.3114%0.138SC..Hα-helixtrans-66.1-39.7179.6-148.4-35.6000112R227 G228 L229 I235R227-H231 WeakPolarHBondContact O-CB 3.36Å; R227-H231 PolarHBondContact O-N 3.49Å; G228-H231 WeakPolarHBondContact O-CB 3.32Å; G228-H231 PolarHBondContact O-N 3.36Å; L229-H231 VanDerWaalsContact C-N 3.25Å; L229-H231 PolarHBondContact O-N 3.17Å; H231-I235 WeakPolarHBondContact CE1-CD1 3.37Å; H231-I235 WeakPolarHBondContact ND1-CD1 3.39Å; H231-I235 WeakPolarHBondContact ND1-CG1 3.46Å; H231-I235 WeakPolarHBondContact O-CB 3.4Å; H231-I235 WeakPolarHBondContact O-CG1 3.27Å; H231-I235 PolarHBondContact O-N 2.89Å
232F74.3Confident62.9Low3 Ų332.1 Ų32.11%0.01315%0.152CC..Hα-helixtrans-58.3-51.5173.9163.3-98.1000112L185 G228 L229 N236 L269 K273 L274L185-F232 HydrophobicContact CB-CD2 3.7Å; L185-F232 HydrophobicContact CB-CE2 3.94Å; L185-F232 HydrophobicContact CB-CG 4.29Å; L185-F232 HydrophobicContact CD2-CE2 4.15Å; L185-F232 HydrophobicContact CD2-CZ 4.2Å; L185-F232 WeakPolarHBondContact O-CD2 3.19Å; L185-F232 WeakPolarHBondContact O-CE2 3.39Å; G228-F232 PolarHBondContact O-N 3.18Å; L229-F232 WeakPolarHBondContact O-CB 3.48Å; L229-F232 PolarHBondContact O-N 3.49Å; F232-N236 WeakPolarHBondContact CD2-ND2 3.36Å; F232-N236 WeakPolarHBondContact CE2-ND2 3.48Å; F232-N236 WeakPolarHBondContact O-CB 3.3Å; F232-N236 PolarHBondContact O-N 2.84Å; F232-N236 VanDerWaalsContact O-N 3.16Å; F232-N236 PolarHBondContact O-ND2 3.5Å; F232-L269 HydrophobicContact CZ-CD2 4.05Å; F232-K273 HydrophobicContact CE2-CD 4.16Å; F232-K273 HydrophobicContact CZ-CB 4.11Å; F232-K273 HydrophobicContact CZ-CD 4.3Å; F232-L274 HydrophobicContact CE1-CD1 4.44Å
233F70.8Confident63.2Low0 Ų038.1 Ų38.10%018%0.184CC..Hα-helixtrans-63.1-47.2179.4-82.1-74.2000110.9I161 I164 I165 L229 F230 N236 I237 V270 L274I161-F233 HydrophobicContact CG1-CD1 4.37Å; I161-F233 HydrophobicContact CG2-CB 4.41Å; I161-F233 HydrophobicContact CG2-CD2 4.12Å; I161-F233 HydrophobicContact CG2-CG 4.2Å; I164-F233 HydrophobicContact CD1-CZ 4.35Å; I164-F233 HydrophobicContact CG2-CE2 4.22Å; I164-F233 HydrophobicContact CG2-CZ 4.03Å; I165-F233 HydrophobicContact CD1-CD2 4.29Å; I165-F233 HydrophobicContact CG1-CD2 4.4Å; I165-F233 HydrophobicContact CG1-CE2 4.32Å; L229-F233 VanDerWaalsContact O-CD2 3.27Å; L229-F233 WeakPolarHBondContact O-CD2 3.14Å; L229-F233 PolarHBondContact O-N 3.47Å; F230-F233 PolarHBondContact O-N 3.3Å; F233-N236 PolarHBondContact O-N 3.18Å; F233-I237 WeakPolarHBondContact O-CB 3.38Å; F233-I237 WeakPolarHBondContact O-CD1 3.41Å; F233-I237 WeakPolarHBondContact O-CG1 3.04Å; F233-I237 PolarHBondContact O-N 3.39Å; F233-V270 HydrophobicContact CE1-CG2 3.78Å; F233-V270 HydrophobicContact CZ-CG2 3.88Å; F233-L274 HydrophobicContact CE2-CD2 4.33Å; F233-L274 HydrophobicContact CZ-CD2 3.86Å
234S63.7Low63.5Low8 Ų845.3 Ų45.36%0.05621%0.206CC..Hα-helixtrans-61.3-50.4-178.1-53.10000112.2F230 N236 I237 I238F230-S234 WeakPolarHBondContact O-CB 3.41Å; F230-S234 PolarHBondContact O-N 2.91Å; F230-S234 PolarHBondContact O-OG 3.31Å; S234-N236 PolarHBondContact O-N 3.39Å; S234-I237 PolarHBondContact O-N 3.19Å; S234-I238 WeakPolarHBondContact O-CB 3.45Å; S234-I238 WeakPolarHBondContact O-CD1 3.3Å; S234-I238 VanDerWaalsContact O-CG1 3.25Å; S234-I238 WeakPolarHBondContact O-CG1 3.25Å; S234-I238 PolarHBondContact O-N 3.12Å
235I67Low62.7Low37 Ų3748.2 Ų48.219%0.1924%0.237CC..Hα-helixtrans-59.9-47.7179.6-74.9172.8000110.9H231 I238 R239H231-I235 WeakPolarHBondContact CE1-CD1 3.37Å; H231-I235 WeakPolarHBondContact ND1-CD1 3.39Å; H231-I235 WeakPolarHBondContact ND1-CG1 3.46Å; H231-I235 WeakPolarHBondContact O-CB 3.4Å; H231-I235 WeakPolarHBondContact O-CG1 3.27Å; H231-I235 PolarHBondContact O-N 2.89Å; I235-I238 PolarHBondContact O-N 3.21Å; I235-R239 HydrophobicContact CG2-CG 4.22Å; I235-R239 WeakPolarHBondContact O-CB 3.2Å; I235-R239 WeakPolarHBondContact O-CG 3.43Å; I235-R239 PolarHBondContact O-N 3.33Å
236N68.2Low61.5Low17 Ų1751.1 Ų51.19%0.09126%0.257CS..Hα-helixtrans-70.9-33.7-174.8-78.3-75.2000112.5F232 F233 S234 N240 L269 K273F232-N236 WeakPolarHBondContact CD2-ND2 3.36Å; F232-N236 WeakPolarHBondContact CE2-ND2 3.48Å; F232-N236 WeakPolarHBondContact O-CB 3.3Å; F232-N236 PolarHBondContact O-N 2.84Å; F232-N236 VanDerWaalsContact O-N 3.16Å; F232-N236 PolarHBondContact O-ND2 3.5Å; F233-N236 PolarHBondContact O-N 3.18Å; S234-N236 PolarHBondContact O-N 3.39Å; N236-N240 WeakPolarHBondContact O-CB 3.35Å; N236-N240 PolarHBondContact O-N 2.91Å; N236-N240 VanDerWaalsContact O-N 3.13Å; N236-N240 PolarHBondContact O-ND2 2.91Å; N236-L269 HydrophobicContact CB-CD1 3.72Å; N236-L269 HydrophobicContact CB-CD2 3.31Å; N236-L269 HydrophobicContact CB-CG 4.13Å; N236-K273 PolarHBondContact OD1-NZ 2.94Å
237I67.5Low60.2Low10 Ų1053.4 Ų53.45%0.05128%0.278CS..Hα-helixtrans-64.4-48.9172.7-69.1169.3000109.3L150 L153 I161 F233 S234 R239 N240 L241 I266 L269L150-I237 HydrophobicContact CD2-CD1 4.36Å; L153-I237 HydrophobicContact CD1-CD1 4.1Å; I161-I237 HydrophobicContact CD1-CD1 4.1Å; F233-I237 WeakPolarHBondContact O-CB 3.38Å; F233-I237 WeakPolarHBondContact O-CD1 3.41Å; F233-I237 WeakPolarHBondContact O-CG1 3.04Å; F233-I237 PolarHBondContact O-N 3.39Å; S234-I237 PolarHBondContact O-N 3.19Å; I237-R239 PolarHBondContact O-N 2.99Å; I237-N240 PolarHBondContact O-N 3.38Å; I237-L241 HydrophobicContact CG2-CD1 3.83Å; I237-L241 VanDerWaalsContact O-CG 3.29Å; I237-L241 WeakPolarHBondContact O-CG 3.5Å; I237-L241 PolarHBondContact O-N 2.87Å; I237-I266 HydrophobicContact CD1-CG1 4.16Å; I237-L269 HydrophobicContact CG1-CD1 3.88Å
238I62.2Low59.2Low50 Ų5055.4 Ų55.426%0.25629%0.293SS..Hα-helixtrans-57.5-52.3177.8-72.6166.3000111.5S234 I235 N240 L241 E242 L248S234-I238 WeakPolarHBondContact O-CB 3.45Å; S234-I238 WeakPolarHBondContact O-CD1 3.3Å; S234-I238 VanDerWaalsContact O-CG1 3.25Å; S234-I238 WeakPolarHBondContact O-CG1 3.25Å; S234-I238 PolarHBondContact O-N 3.12Å; I235-I238 PolarHBondContact O-N 3.21Å; I238-N240 VanDerWaalsContact C-N 3.3Å; I238-N240 PolarHBondContact O-N 3.41Å; I238-L241 WeakPolarHBondContact O-CB 3.44Å; I238-L241 PolarHBondContact O-N 3.49Å; I238-L241 VanDerWaalsContact O-N 3.08Å; I238-E242 HydrophobicContact CG2-CG 4.24Å; I238-E242 WeakPolarHBondContact O-CG 3.41Å; I238-E242 PolarHBondContact O-N 3.38Å; I238-L248 HydrophobicContact CG2-CD1 3.96Å
239R64Low57.6Low103 Ų10363.6 Ų63.639%0.38933%0.328SS..Hα-helixtrans-59.3-39.4-179.5-77.2-178.5176.3171.50.2112.8C188 I235 I237 E242 N243C188-R239 PolarHBondContact SG-NH1 3.38Å; C188-R239 VanDerWaalsContact SG-NH1 3.38Å; C188-R239 PolarHBondContact SG-NH2 2.82Å; I235-R239 HydrophobicContact CG2-CG 4.22Å; I235-R239 WeakPolarHBondContact O-CB 3.2Å; I235-R239 WeakPolarHBondContact O-CG 3.43Å; I235-R239 PolarHBondContact O-N 3.33Å; I237-R239 PolarHBondContact O-N 2.99Å; R239-E242 PolarHBondContact O-N 3.4Å; R239-N243 VanDerWaalsContact O-CB 3.31Å; R239-N243 WeakPolarHBondContact O-CB 3.45Å; R239-N243 PolarHBondContact O-N 2.87Å; R239-N243 PolarHBondContact O-ND2 3.12Å
240N62.5Low55.6Low57 Ų5774.8 Ų74.831%0.30537%0.37SS..Hα-helixtrans-70.2-33.7177.4-85.4-59.8000112.7N236 I237 I238 L265N236-N240 WeakPolarHBondContact O-CB 3.35Å; N236-N240 PolarHBondContact O-N 2.91Å; N236-N240 VanDerWaalsContact O-N 3.13Å; N236-N240 PolarHBondContact O-ND2 2.91Å; I237-N240 PolarHBondContact O-N 3.38Å; I238-N240 VanDerWaalsContact C-N 3.3Å; I238-N240 PolarHBondContact O-N 3.41Å; N240-L265 HydrophobicContact CB-CD1 4.26Å; N240-L265 HydrophobicContact CB-CD2 3.44Å; N240-L265 VanDerWaalsContact CB-CD2 3.44Å; N240-L265 HydrophobicContact CB-CG 4.47Å; N240-L265 WeakPolarHBondContact ND2-CD2 3.41Å
241L59.3Low53.9Low40 Ų4078 Ų7821%0.20940%0.395CS..Hα-helixtrans-68-42.6173.3-69.7167.4000111.3I237 I238 R244 S246 F261I237-L241 HydrophobicContact CG2-CD1 3.83Å; I237-L241 VanDerWaalsContact O-CG 3.29Å; I237-L241 WeakPolarHBondContact O-CG 3.5Å; I237-L241 PolarHBondContact O-N 2.87Å; I238-L241 WeakPolarHBondContact O-CB 3.44Å; I238-L241 PolarHBondContact O-N 3.49Å; I238-L241 VanDerWaalsContact O-N 3.08Å; L241-R244 PolarHBondContact O-N 2.86Å; L241-S246 WeakPolarHBondContact O-CB 3.43Å; L241-S246 PolarHBondContact O-N 2.87Å; L241-F261 HydrophobicContact CD2-CD1 4.47Å; L241-F261 HydrophobicContact CD2-CE1 3.83Å
242E56.7Low52.4Low98 Ų9885.8 Ų85.846%0.45842%0.423SS..Hα-helixtrans-64.2-45.1176.7-71.8175.7161.500112I238 R239 R244 G245 L248I238-E242 HydrophobicContact CG2-CG 4.24Å; I238-E242 WeakPolarHBondContact O-CG 3.41Å; I238-E242 PolarHBondContact O-N 3.38Å; R239-E242 PolarHBondContact O-N 3.4Å; E242-R244 PolarHBondContact O-N 3.39Å; E242-R244 VanDerWaalsContact O-N 3.11Å; E242-G245 PolarHBondContact O-N 3.03Å; E242-L248 HydrophobicContact CG-CD1 4.23Å; E242-L248 WeakPolarHBondContact OE1-CD1 3.38Å
243N56.5Low50.3Low136 Ų13692.5 Ų92.573%0.72746%0.459SS*.Hα-helixtrans-62-19.9179.1-77.7-15.3000113.9R239 G245R239-N243 VanDerWaalsContact O-CB 3.31Å; R239-N243 WeakPolarHBondContact O-CB 3.45Å; R239-N243 PolarHBondContact O-N 2.87Å; R239-N243 PolarHBondContact O-ND2 3.12Å; N243-G245 VanDerWaalsContact C-N 3.34Å
244R56.5Low48.8Very low183 Ų18399.6 Ų99.669%0.69150%0.502SS*.THydrogen-bonded Turntrans-93.812.2175.8-67.9-168.8-178.9-151.21.2113.5L241 E242L241-R244 PolarHBondContact O-N 2.86Å; E242-R244 PolarHBondContact O-N 3.39Å; E242-R244 VanDerWaalsContact O-N 3.11Å
245G38.2Very low47.7Very low65 Ų65104.4 Ų104.467%0.6753%0.527SS*.THydrogen-bonded Turntrans79.914.5174.100000114.5E242 N243 P247E242-G245 PolarHBondContact O-N 3.03Å; N243-G245 VanDerWaalsContact C-N 3.34Å; G245-P247 VanDerWaalsContact O-CD 3.32Å; G245-P247 WeakPolarHBondContact O-CD 3.39Å
246S39Very low46.6Very low60 Ų60108 Ų10842%0.4255%0.55SS.*  trans-83.9114.3173.2-172.60000109.4L241 L248L241-S246 WeakPolarHBondContact O-CB 3.43Å; L241-S246 PolarHBondContact O-N 2.87Å; S246-L248 PolarHBondContact O-N 3.22Å
247P34.7Very low45.5Very low95 Ų95112.7 Ų112.762%0.61758%0.575SS**  trans-66.3130.8161.529.5-27.6000105.8G245 K249G245-P247 VanDerWaalsContact O-CD 3.32Å; G245-P247 WeakPolarHBondContact O-CD 3.39Å; P247-K249 CarbonylContact O-C 3.5Å; P247-K249 PolarHBondContact O-N 3.16Å
248L35.2Very low44.6Very low111 Ų111114.7 Ų114.758%0.58159%0.588SS**SBendtrans-5411.7172.1-77.6156.4000115I238 E242 S246I238-L248 HydrophobicContact CG2-CD1 3.96Å; E242-L248 HydrophobicContact CG-CD1 4.23Å; E242-L248 WeakPolarHBondContact OE1-CD1 3.38Å; S246-L248 PolarHBondContact O-N 3.22Å
249K29.1Very low43.9Very low175 Ų175113.3 Ų113.376%0.76159%0.586SS**SBendtrans-102.8105.4169.6-69.5-179.5177.8177.40109.4P247P247-K249 CarbonylContact O-C 3.5Å; P247-K249 PolarHBondContact O-N 3.16Å
250R28.5Very low43.4Very low234 Ų234115 Ų11588%0.88360%0.596SS**  trans97.788.8161.1-55.1170.7176.5170.6-1.4116.7
251S32Very low43.1Very low89 Ų89114.5 Ų114.562%0.62259%0.592SS**  trans-147.979.113348.50000110.1L253S251-L253 PolarHBondContact O-N 3.39Å; S251-L253 VanDerWaalsContact O-N 3.15Å
252Y33.9Very low43.1Very low230 Ų230113.3 Ų113.390%0.90259%0.585SS**  trans-73.120.7164.3-91.8-87000112.6
253L31.2Very low43.4Very low145 Ų145110.6 Ų110.676%0.75958%0.58SS**SBendtrans-121.1110.1-177.8-86.2151.7000108.5S251 N255S251-L253 PolarHBondContact O-N 3.39Å; S251-L253 VanDerWaalsContact O-N 3.15Å; L253-N255 PolarHBondContact O-N 3.08Å
254V39.1Very low43.8Very low149 Ų149110.6 Ų110.690%0.90358%0.575SS**  trans-56.889.2167.2179.70000107.3
255N40.9Very low44.4Very low109 Ų109102.6 Ų102.658%0.58355%0.546SS*.  trans-103.2132.7168.9-132.72.5000107.5L253 D257 T258L253-N255 PolarHBondContact O-N 3.08Å; N255-D257 PolarHBondContact O-N 2.62Å; N255-D257 VanDerWaalsContact O-N 3.14Å; N255-T258 PolarHBondContact O-N 3.5Å; N255-T258 PolarHBondContact O-OG1 3.44Å
256V43.5Very low45.8Very low111 Ų11199.6 Ų99.667%0.67352%0.515SS*.Hα-helixtrans-58.9-29.2-175.6-177.70000111.6T258 G259 K260V256-T258 PolarHBondContact O-N 3.49Å; V256-G259 PolarHBondContact O-N 3.07Å; V256-K260 PolarHBondContact O-N 2.94Å
257D45.1Very low47.5Very low116 Ų116100.6 Ų100.662%0.6251%0.51SS*.Hα-helixtrans-69.7-29.7177.3-65.5-33.2000113.4N255 F261N255-D257 PolarHBondContact O-N 2.62Å; N255-D257 VanDerWaalsContact O-N 3.14Å; D257-F261 WeakPolarHBondContact O-CB 3.29Å; D257-F261 PolarHBondContact O-N 3.04Å; D257-F261 VanDerWaalsContact O-N 3.08Å
258T49.5Very low49.5Very low53 Ų53101.5 Ų101.533%0.32550%0.504SS..Hα-helixtrans-69.8-35.3175.414.10000112.3N255 V256 F261 N262N255-T258 PolarHBondContact O-N 3.5Å; N255-T258 PolarHBondContact O-OG1 3.44Å; V256-T258 PolarHBondContact O-N 3.49Å; T258-F261 PolarHBondContact O-N 3Å; T258-N262 WeakPolarHBondContact O-CB 3.26Å; T258-N262 PolarHBondContact O-N 3.08Å; T258-N262 PolarHBondContact O-ND2 3.41Å
259G47.3Very low51.4Low21 Ų2196.7 Ų96.722%0.21648%0.479CS..Hα-helixtrans-65.4-47.4174.700000112.2E157 V256 F261 N262 A263E157-G259 VanDerWaalsContact OE1-CA 3.29Å; E157-G259 WeakPolarHBondContact OE1-CA 3.48Å; V256-G259 PolarHBondContact O-N 3.07Å; G259-F261 VanDerWaalsContact C-N 3.32Å; G259-F261 PolarHBondContact O-N 3.49Å; G259-N262 PolarHBondContact O-N 2.93Å; G259-A263 WeakPolarHBondContact O-CB 3.43Å; G259-A263 PolarHBondContact O-N 2.92Å
260K53.5Low53.8Low137 Ų13788.3 Ų88.360%0.59644%0.442SS*.Hα-helixtrans-58.8-42.5175.3-73.8-176.7177.91780112.5V256 A263 Q264V256-K260 PolarHBondContact O-N 2.94Å; K260-A263 PolarHBondContact O-N 2.88Å; K260-Q264 WeakPolarHBondContact O-CG 3.43Å; K260-Q264 PolarHBondContact O-N 3.42Å
261F55Low56.3Low48 Ų4879.3 Ų79.321%0.21141%0.413CS..Hα-helixtrans-62.9-44.3177.8179.5-109.1000112.2L241 D257 T258 G259 Q264 L265L241-F261 HydrophobicContact CD2-CD1 4.47Å; L241-F261 HydrophobicContact CD2-CE1 3.83Å; D257-F261 WeakPolarHBondContact O-CB 3.29Å; D257-F261 PolarHBondContact O-N 3.04Å; D257-F261 VanDerWaalsContact O-N 3.08Å; T258-F261 PolarHBondContact O-N 3Å; G259-F261 VanDerWaalsContact C-N 3.32Å; G259-F261 PolarHBondContact O-N 3.49Å; F261-Q264 PolarHBondContact O-N 3.44Å; F261-L265 HydrophobicContact CD1-CD1 4.05Å; F261-L265 HydrophobicContact CE1-CD1 3.34Å; F261-L265 HydrophobicContact CE2-CD1 4.13Å; F261-L265 HydrophobicContact CZ-CD1 3.37Å; F261-L265 HydrophobicContact CZ-CG 4.38Å; F261-L265 PolarHBondContact O-N 2.93Å
262N59.2Low58.6Low14 Ų1480.9 Ų80.98%0.07541%0.411CS..Hα-helixtrans-67.3-40.7178.6-71-22000112.4L153 T258 G259 L265 I266L153-N262 HydrophobicContact CD2-CB 3.61Å; T258-N262 WeakPolarHBondContact O-CB 3.26Å; T258-N262 PolarHBondContact O-N 3.08Å; T258-N262 PolarHBondContact O-ND2 3.41Å; G259-N262 PolarHBondContact O-N 2.93Å; N262-L265 WeakPolarHBondContact O-CB 3.48Å; N262-L265 PolarHBondContact O-N 2.95Å; N262-I266 WeakPolarHBondContact O-CG1 3.3Å; N262-I266 PolarHBondContact O-N 3.31Å
263A62.8Low60.8Low42 Ų4274 Ų7435%0.34739%0.386SS..Hα-helixtrans-61.9-42.617500000112.2E157 G259 K260 L265 I266 R267E157-A263 HydrophobicContact CG-CB 4.46Å; G259-A263 WeakPolarHBondContact O-CB 3.43Å; G259-A263 PolarHBondContact O-N 2.92Å; K260-A263 PolarHBondContact O-N 2.88Å; A263-L265 VanDerWaalsContact C-N 3.31Å; A263-L265 PolarHBondContact O-N 3.36Å; A263-I266 PolarHBondContact O-N 2.86Å; A263-R267 WeakPolarHBondContact O-CB 3.2Å; A263-R267 PolarHBondContact O-N 3.04Å
264Q66.4Low63.2Low135 Ų13567.1 Ų67.163%0.63135%0.349SS*.Hα-helixtrans-62.3-38173.5-76.3-180-9.500112.3K260 F261 R267 K268K260-Q264 WeakPolarHBondContact O-CG 3.43Å; K260-Q264 PolarHBondContact O-N 3.42Å; F261-Q264 PolarHBondContact O-N 3.44Å; Q264-R267 PolarHBondContact O-N 2.83Å; Q264-K268 VanDerWaalsContact O-CB 3.3Å; Q264-K268 WeakPolarHBondContact O-CB 3.43Å; Q264-K268 PolarHBondContact O-N 3.17Å
265L68.2Low65Low15 Ų1560.4 Ų60.48%0.07931%0.308CS..Hα-helixtrans-65.4-44.9176.7-110.1158.6000112.7N240 F261 N262 A263 K268 L269N240-L265 HydrophobicContact CB-CD1 4.26Å; N240-L265 HydrophobicContact CB-CD2 3.44Å; N240-L265 VanDerWaalsContact CB-CD2 3.44Å; N240-L265 HydrophobicContact CB-CG 4.47Å; N240-L265 WeakPolarHBondContact ND2-CD2 3.41Å; F261-L265 HydrophobicContact CD1-CD1 4.05Å; F261-L265 HydrophobicContact CE1-CD1 3.34Å; F261-L265 HydrophobicContact CE2-CD1 4.13Å; F261-L265 HydrophobicContact CZ-CD1 3.37Å; F261-L265 HydrophobicContact CZ-CG 4.38Å; F261-L265 PolarHBondContact O-N 2.93Å; N262-L265 WeakPolarHBondContact O-CB 3.48Å; N262-L265 PolarHBondContact O-N 2.95Å; A263-L265 VanDerWaalsContact C-N 3.31Å; A263-L265 PolarHBondContact O-N 3.36Å; L265-K268 PolarHBondContact O-N 3.41Å; L265-L269 WeakPolarHBondContact O-CB 3.27Å; L265-L269 PolarHBondContact O-N 3.04Å
266I68.7Low66.9Low3 Ų357.8 Ų57.82%0.01530%0.297CS..Hα-helixtrans-62.7-46.3175.6-67.8165.2000109.9L153 E157 I160 I161 I237 N262 A263 K268 L269 V270L153-I266 HydrophobicContact CD1-CD1 4.48Å; L153-I266 HydrophobicContact CD2-CD1 4.3Å; E157-I266 HydrophobicContact CB-CD1 3.72Å; E157-I266 HydrophobicContact CG-CD1 4.16Å; I160-I266 HydrophobicContact CG2-CG2 4.18Å; I161-I266 HydrophobicContact CD1-CD1 3.82Å; I161-I266 HydrophobicContact CD1-CG1 4.24Å; I161-I266 HydrophobicContact CG1-CD1 4.08Å; I161-I266 HydrophobicContact CG1-CG1 4.45Å; I161-I266 HydrophobicContact CG1-CG2 4.38Å; I237-I266 HydrophobicContact CD1-CG1 4.16Å; N262-I266 WeakPolarHBondContact O-CG1 3.3Å; N262-I266 PolarHBondContact O-N 3.31Å; A263-I266 PolarHBondContact O-N 2.86Å; I266-K268 VanDerWaalsContact C-N 3.33Å; I266-K268 PolarHBondContact O-N 2.93Å; I266-L269 WeakPolarHBondContact O-CB 3.16Å; I266-L269 PolarHBondContact O-N 2.98Å; I266-V270 HydrophobicContact CG2-CG2 4.45Å; I266-V270 VanDerWaalsContact O-CG2 3.29Å; I266-V270 WeakPolarHBondContact O-CG2 3.18Å; I266-V270 PolarHBondContact O-N 2.97Å
267R73.5Confident68.5Low80 Ų8053 Ų5330%0.30227%0.268SS..Hα-helixtrans-56-50.1177-171.3166.9-159.6169.33.7111A263 Q264 L269 V270 T271 I294 D298A263-R267 WeakPolarHBondContact O-CB 3.2Å; A263-R267 PolarHBondContact O-N 3.04Å; Q264-R267 PolarHBondContact O-N 2.83Å; R267-L269 VanDerWaalsContact C-N 3.34Å; R267-L269 PolarHBondContact O-N 2.8Å; R267-V270 PolarHBondContact O-N 3.41Å; R267-V270 VanDerWaalsContact O-N 3.12Å; R267-T271 HydrophobicContact CG-CG2 4.38Å; R267-T271 WeakPolarHBondContact O-CG2 3.46Å; R267-T271 PolarHBondContact O-N 3.37Å; R267-T271 PolarHBondContact O-OG1 3.01Å; R267-I294 HydrophobicContact CB-CG2 4.33Å; R267-I294 HydrophobicContact CG-CG2 3.68Å; R267-D298 IonicContact CZ-OD1 3.13Å; R267-D298 IonicContact CZ-OD2 2.75Å; R267-D298 IonicContact NH1-OD1 3.87Å; R267-D298 PolarHBondContact NH1-OD1 2.83Å; R267-D298 IonicContact NH1-OD2 3.18Å; R267-D298 PolarHBondContact NH1-OD2 2.81Å; R267-D298 IonicContact NH2-OD2 2.85Å; R267-D298 PolarHBondContact NH2-OD2 2.84Å
268K76.2Confident69.6Low115 Ų11547.4 Ų47.450%0.524%0.239SC..Hα-helixtrans-60.2-42.8178.8-159.3174.4-173.2-177.80112.1Q264 L265 I266 V270 E272Q264-K268 VanDerWaalsContact O-CB 3.3Å; Q264-K268 WeakPolarHBondContact O-CB 3.43Å; Q264-K268 PolarHBondContact O-N 3.17Å; L265-K268 PolarHBondContact O-N 3.41Å; I266-K268 VanDerWaalsContact C-N 3.33Å; I266-K268 PolarHBondContact O-N 2.93Å; K268-V270 VanDerWaalsContact C-N 3.28Å; K268-V270 PolarHBondContact O-N 3.41Å; K268-E272 WeakPolarHBondContact CE-OE1 3.08Å; K268-E272 WeakPolarHBondContact CE-OE2 3.23Å; K268-E272 HydrophobicContact CG-CG 4.03Å; K268-E272 WeakPolarHBondContact CG-OE1 3.29Å; K268-E272 WeakPolarHBondContact CG-OE2 3.32Å; K268-E272 IonicContact NZ-OE1 3.75Å; K268-E272 VanDerWaalsContact O-CB 3.22Å; K268-E272 WeakPolarHBondContact O-CB 3.22Å; K268-E272 WeakPolarHBondContact O-CG 3.48Å; K268-E272 PolarHBondContact O-N 3.06Å
269L75.5Confident70.7Confident9 Ų947.3 Ų47.35%0.04723%0.234CC..Hα-helixtrans-60.4-38.3175.7-87.4164.1000113F232 N236 I237 L265 I266 R267 K273 L274F232-L269 HydrophobicContact CZ-CD2 4.05Å; N236-L269 HydrophobicContact CB-CD1 3.72Å; N236-L269 HydrophobicContact CB-CD2 3.31Å; N236-L269 HydrophobicContact CB-CG 4.13Å; I237-L269 HydrophobicContact CG1-CD1 3.88Å; L265-L269 WeakPolarHBondContact O-CB 3.27Å; L265-L269 PolarHBondContact O-N 3.04Å; I266-L269 WeakPolarHBondContact O-CB 3.16Å; I266-L269 PolarHBondContact O-N 2.98Å; R267-L269 VanDerWaalsContact C-N 3.34Å; R267-L269 PolarHBondContact O-N 2.8Å; L269-K273 HydrophobicContact CD2-CD 4.39Å; L269-K273 WeakPolarHBondContact O-CB 2.85Å; L269-K273 PolarHBondContact O-N 3.15Å; L269-L274 PolarHBondContact O-N 2.82Å
270V79.7Confident71.9Confident0 Ų050.7 Ų50.70%025%0.245CC..Iπ-helixtrans-78.1-47-177.9177.70000111.1I164 F233 I266 R267 K268 L274 I275 I290 I294I164-V270 HydrophobicContact CD1-CG2 3.7Å; F233-V270 HydrophobicContact CE1-CG2 3.78Å; F233-V270 HydrophobicContact CZ-CG2 3.88Å; I266-V270 HydrophobicContact CG2-CG2 4.45Å; I266-V270 VanDerWaalsContact O-CG2 3.29Å; I266-V270 WeakPolarHBondContact O-CG2 3.18Å; I266-V270 PolarHBondContact O-N 2.97Å; R267-V270 PolarHBondContact O-N 3.41Å; R267-V270 VanDerWaalsContact O-N 3.12Å; K268-V270 VanDerWaalsContact C-N 3.28Å; K268-V270 PolarHBondContact O-N 3.41Å; V270-L274 HydrophobicContact CG1-CB 4.29Å; V270-L274 HydrophobicContact CG1-CD2 4.1Å; V270-L274 HydrophobicContact CG2-CD2 4.16Å; V270-L274 PolarHBondContact O-N 2.9Å; V270-I275 HydrophobicContact CG1-CD1 3.8Å; V270-I275 HydrophobicContact CG1-CG1 3.95Å; V270-I275 WeakPolarHBondContact O-CB 3.39Å; V270-I275 WeakPolarHBondContact O-CG1 3.36Å; V270-I275 PolarHBondContact O-N 3.49Å; V270-I290 HydrophobicContact CG1-CG2 3.41Å; V270-I290 VanDerWaalsContact CG1-CG2 3.41Å; V270-I294 HydrophobicContact CB-CD1 3.31Å; V270-I294 HydrophobicContact CG1-CD1 3.21Å; V270-I294 HydrophobicContact CG2-CD1 3.55Å
271T80.4Confident72.3Confident45 Ų4546.1 Ų46.128%0.27623%0.225SC..Iπ-helixtrans-72.2-36.1-177.355.70000113R267 P276R267-T271 HydrophobicContact CG-CG2 4.38Å; R267-T271 WeakPolarHBondContact O-CG2 3.46Å; R267-T271 PolarHBondContact O-N 3.37Å; R267-T271 PolarHBondContact O-OG1 3.01Å; T271-P276 VanDerWaalsContact O-CD 3.27Å; T271-P276 WeakPolarHBondContact O-CD 3.3Å
272E80.9Confident72.5Confident122 Ų12246.9 Ų46.957%0.5723%0.231SC*.Iπ-helixtrans-93.6-19.6-175.2-61.7-176.517400114.1K268K268-E272 WeakPolarHBondContact CE-OE1 3.08Å; K268-E272 WeakPolarHBondContact CE-OE2 3.23Å; K268-E272 HydrophobicContact CG-CG 4.03Å; K268-E272 WeakPolarHBondContact CG-OE1 3.29Å; K268-E272 WeakPolarHBondContact CG-OE2 3.32Å; K268-E272 IonicContact NZ-OE1 3.75Å; K268-E272 VanDerWaalsContact O-CB 3.22Å; K268-E272 WeakPolarHBondContact O-CB 3.22Å; K268-E272 WeakPolarHBondContact O-CG 3.48Å; K268-E272 PolarHBondContact O-N 3.06Å
273K80.7Confident72.6Confident85 Ų8546.8 Ų46.837%0.3723%0.23SC..Iπ-helixtrans-122.8-61.1179.1-67-169.4175.6-174.10112.8F232 N236 L269 I275 P276 T277F232-K273 HydrophobicContact CE2-CD 4.16Å; F232-K273 HydrophobicContact CZ-CB 4.11Å; F232-K273 HydrophobicContact CZ-CD 4.3Å; N236-K273 PolarHBondContact OD1-NZ 2.94Å; L269-K273 HydrophobicContact CD2-CD 4.39Å; L269-K273 WeakPolarHBondContact O-CB 2.85Å; L269-K273 PolarHBondContact O-N 3.15Å; K273-I275 PolarHBondContact O-N 3.35Å; K273-P276 WeakPolarHBondContact O-CD 3.25Å; K273-T277 WeakPolarHBondContact O-CB 3.37Å; K273-T277 PolarHBondContact O-N 3.1Å; K273-T277 PolarHBondContact O-OG1 3.34Å
274L80.8Confident72.2Confident0 Ų051 Ų510%024%0.237CC..Iπ-helixtrans-62.7-46.9-168.5-167.867.7000112.7I164 I168 L185 L229 F232 F233 L269 V270 T277 L278I164-L274 HydrophobicContact CG2-CD2 3.47Å; I164-L274 VanDerWaalsContact CG2-CD2 3.47Å; I168-L274 HydrophobicContact CD1-CD1 3.86Å; I168-L274 HydrophobicContact CD1-CD2 3.74Å; I168-L274 HydrophobicContact CD1-CG 4.01Å; L185-L274 HydrophobicContact CD1-CD1 3.67Å; L185-L274 HydrophobicContact CD2-CD1 3.7Å; L185-L274 HydrophobicContact CG-CD1 4.37Å; L229-L274 HydrophobicContact CD2-CD1 4.21Å; F232-L274 HydrophobicContact CE1-CD1 4.44Å; F233-L274 HydrophobicContact CE2-CD2 4.33Å; F233-L274 HydrophobicContact CZ-CD2 3.86Å; L269-L274 PolarHBondContact O-N 2.82Å; V270-L274 HydrophobicContact CG1-CB 4.29Å; V270-L274 HydrophobicContact CG1-CD2 4.1Å; V270-L274 HydrophobicContact CG2-CD2 4.16Å; V270-L274 PolarHBondContact O-N 2.9Å; L274-T277 PolarHBondContact O-N 3.43Å; L274-L278 HydrophobicContact CG-CD1 4.28Å; L274-L278 VanDerWaalsContact O-CG 3.25Å; L274-L278 WeakPolarHBondContact O-CG 3.16Å; L274-L278 PolarHBondContact O-N 3.09Å
275I78.3Confident71.5Confident8 Ų847.4 Ų47.44%0.04122%0.222CC..Hα-helixtrans-66.1-50.8-179.2-75.8174.2000111.6V270 K273 T277 L278 Q279 A287 I290 Q291V270-I275 HydrophobicContact CG1-CD1 3.8Å; V270-I275 HydrophobicContact CG1-CG1 3.95Å; V270-I275 WeakPolarHBondContact O-CB 3.39Å; V270-I275 WeakPolarHBondContact O-CG1 3.36Å; V270-I275 PolarHBondContact O-N 3.49Å; K273-I275 PolarHBondContact O-N 3.35Å; I275-T277 VanDerWaalsContact C-N 3.26Å; I275-T277 PolarHBondContact O-N 3.13Å; I275-L278 PolarHBondContact O-N 2.97Å; I275-L278 VanDerWaalsContact O-N 3.12Å; I275-Q279 HydrophobicContact CG2-CG 4.41Å; I275-Q279 WeakPolarHBondContact O-CB 3.33Å; I275-Q279 VanDerWaalsContact O-CG 3.26Å; I275-Q279 WeakPolarHBondContact O-CG 3.45Å; I275-Q279 PolarHBondContact O-N 3.2Å; I275-A287 HydrophobicContact CG2-CB 4.21Å; I275-I290 HydrophobicContact CD1-CG2 4.29Å; I275-I290 HydrophobicContact CG1-CG2 4.29Å; I275-Q291 HydrophobicContact CD1-CB 3.76Å; I275-Q291 HydrophobicContact CD1-CG 4.39Å
276P80.4Confident71.1Confident54 Ų5446.8 Ų46.835%0.35122%0.219SC..Hα-helixtrans-54.3-41.4173.3-29.435.4000113.2T271 K273 Q279 H280T271-P276 VanDerWaalsContact O-CD 3.27Å; T271-P276 WeakPolarHBondContact O-CD 3.3Å; K273-P276 WeakPolarHBondContact O-CD 3.25Å; P276-Q279 PolarHBondContact O-N 3.23Å; P276-H280 WeakPolarHBondContact O-CB 3.08Å; P276-H280 PolarHBondContact O-N 3.31Å
277T77.6Confident70.6Confident10 Ų1046.7 Ų46.76%0.06122%0.218CC..Hα-helixtrans-65.3-44176.4-61.40000112L181 E184 L185 K273 L274 I275 Q279 H280 F281L181-T277 HydrophobicContact CD1-CG2 4.03Å; E184-T277 HydrophobicContact CB-CG2 3.45Å; E184-T277 VanDerWaalsContact CB-CG2 3.45Å; E184-T277 HydrophobicContact CG-CG2 4.23Å; L185-T277 HydrophobicContact CD2-CG2 3.89Å; L185-T277 HydrophobicContact CG-CG2 4.01Å; K273-T277 WeakPolarHBondContact O-CB 3.37Å; K273-T277 PolarHBondContact O-N 3.1Å; K273-T277 PolarHBondContact O-OG1 3.34Å; L274-T277 PolarHBondContact O-N 3.43Å; I275-T277 VanDerWaalsContact C-N 3.26Å; I275-T277 PolarHBondContact O-N 3.13Å; T277-Q279 VanDerWaalsContact C-N 3.32Å; T277-Q279 PolarHBondContact O-N 3.42Å; T277-H280 VanDerWaalsContact O-CB 3.32Å; T277-H280 WeakPolarHBondContact O-CB 3.3Å; T277-H280 PolarHBondContact O-N 2.71Å; T277-H280 VanDerWaalsContact O-N 3.17Å; T277-F281 HydrophobicContact CG2-CD2 3.97Å; T277-F281 HydrophobicContact CG2-CE2 3.63Å; T277-F281 WeakPolarHBondContact O-CD2 3.33Å; T277-F281 PolarHBondContact O-N 2.97Å; T277-F281 VanDerWaalsContact O-N 3.15Å
278L67.2Low70.1Confident0 Ų046.7 Ų46.70%023%0.225CC..Hα-helixtrans-62.5-40.6176.3-70.8174.6000111.6I168 L181 L274 I275 H280 F281 N282 L283 L286 A287 I290I168-L278 HydrophobicContact CD1-CD1 4.08Å; I168-L278 HydrophobicContact CG1-CD1 4.26Å; L181-L278 HydrophobicContact CD1-CD2 3.77Å; L274-L278 HydrophobicContact CG-CD1 4.28Å; L274-L278 VanDerWaalsContact O-CG 3.25Å; L274-L278 WeakPolarHBondContact O-CG 3.16Å; L274-L278 PolarHBondContact O-N 3.09Å; I275-L278 PolarHBondContact O-N 2.97Å; I275-L278 VanDerWaalsContact O-N 3.12Å; L278-H280 VanDerWaalsContact C-N 3.32Å; L278-H280 PolarHBondContact O-N 3.04Å; L278-F281 CarbonylContact O-C 3.29Å; L278-F281 PolarHBondContact O-N 3.19Å; L278-N282 PolarHBondContact O-N 2.89Å; L278-L283 HydrophobicContact CB-CB 4.29Å; L278-L283 HydrophobicContact CD2-CD1 3.78Å; L278-L283 WeakPolarHBondContact O-CA 3.44Å; L278-L283 VanDerWaalsContact O-CB 3.3Å; L278-L283 WeakPolarHBondContact O-CB 3.16Å; L278-L283 PolarHBondContact O-N 2.96Å; L278-L286 HydrophobicContact CD1-CD2 4.33Å; L278-L286 HydrophobicContact CD1-CG 4.36Å; L278-L286 HydrophobicContact CD2-CD2 3.95Å; L278-A287 HydrophobicContact CB-CB 3.98Å; L278-I290 HydrophobicContact CD1-CD1 3.41Å; L278-I290 VanDerWaalsContact CD1-CD1 3.41Å
279Q72Confident69.3Low50 Ų5046.5 Ų46.523%0.23422%0.221CC..Hα-helixtrans-63.5-37.6173.8-68.7174.7-1700111.9I275 P276 T277 F281 N282 W284 A287I275-Q279 HydrophobicContact CG2-CG 4.41Å; I275-Q279 WeakPolarHBondContact O-CB 3.33Å; I275-Q279 VanDerWaalsContact O-CG 3.26Å; I275-Q279 WeakPolarHBondContact O-CG 3.45Å; I275-Q279 PolarHBondContact O-N 3.2Å; P276-Q279 PolarHBondContact O-N 3.23Å; T277-Q279 VanDerWaalsContact C-N 3.32Å; T277-Q279 PolarHBondContact O-N 3.42Å; Q279-F281 VanDerWaalsContact C-N 3.26Å; Q279-F281 PolarHBondContact O-N 3.47Å; Q279-N282 WeakPolarHBondContact O-CA 3.21Å; Q279-N282 PolarHBondContact O-N 3.18Å; Q279-W284 HydrophobicContact CB-CD2 4.15Å; Q279-W284 HydrophobicContact CB-CE3 3.98Å; Q279-W284 HydrophobicContact CB-CH2 3.77Å; Q279-W284 HydrophobicContact CB-CZ2 3.96Å; Q279-W284 HydrophobicContact CB-CZ3 3.78Å; Q279-W284 HydrophobicContact CG-CD2 3.99Å; Q279-W284 HydrophobicContact CG-CE3 3.46Å; Q279-W284 VanDerWaalsContact CG-CE3 3.46Å; Q279-W284 HydrophobicContact CG-CH2 4.03Å; Q279-W284 HydrophobicContact CG-CZ2 4.5Å; Q279-W284 HydrophobicContact CG-CZ3 3.48Å; Q279-W284 VanDerWaalsContact CG-CZ3 3.48Å; Q279-A287 HydrophobicContact CG-CB 3.79Å
280H73.2Confident68.7Low93 Ų9346.1 Ų46.143%0.43122%0.219SC..Hα-helixtrans-58.6-39.3174.1-172.683.9000111.9P276 T277 L278 N282P276-H280 WeakPolarHBondContact O-CB 3.08Å; P276-H280 PolarHBondContact O-N 3.31Å; T277-H280 VanDerWaalsContact O-CB 3.32Å; T277-H280 WeakPolarHBondContact O-CB 3.3Å; T277-H280 PolarHBondContact O-N 2.71Å; T277-H280 VanDerWaalsContact O-N 3.17Å; L278-H280 VanDerWaalsContact C-N 3.32Å; L278-H280 PolarHBondContact O-N 3.04Å; H280-N282 PolarHBondContact O-N 3.2Å
281F61.5Low68.3Low41 Ų4148.5 Ų48.518%0.1823%0.23CC..THydrogen-bonded Turntrans-76.78.7172.3-69.5-64.8000114.5N180 L181 E184 T277 L278 Q279 L283N180-F281 VanDerWaalsContact C-CZ 3.42Å; N180-F281 HydrophobicContact CB-CE1 3.63Å; N180-F281 HydrophobicContact CB-CZ 3.68Å; N180-F281 WeakPolarHBondContact O-CZ 3.33Å; L181-F281 HydrophobicContact CB-CE2 4.3Å; L181-F281 HydrophobicContact CD1-CD2 3.93Å; L181-F281 HydrophobicContact CD1-CE2 4Å; E184-F281 HydrophobicContact CB-CE2 4.12Å; E184-F281 HydrophobicContact CB-CZ 4.35Å; E184-F281 HydrophobicContact CG-CE2 3.91Å; E184-F281 HydrophobicContact CG-CZ 3.77Å; T277-F281 HydrophobicContact CG2-CD2 3.97Å; T277-F281 HydrophobicContact CG2-CE2 3.63Å; T277-F281 WeakPolarHBondContact O-CD2 3.33Å; T277-F281 PolarHBondContact O-N 2.97Å; T277-F281 VanDerWaalsContact O-N 3.15Å; L278-F281 CarbonylContact O-C 3.29Å; L278-F281 PolarHBondContact O-N 3.19Å; Q279-F281 VanDerWaalsContact C-N 3.26Å; Q279-F281 PolarHBondContact O-N 3.47Å; F281-L283 HydrophobicContact CB-CD1 3.94Å; F281-L283 HydrophobicContact CB-CG 4.04Å; F281-L283 PolarHBondContact O-N 3.43Å
282N59.1Low67.4Low64 Ų6449.7 Ų49.734%0.34224%0.237SC..THydrogen-bonded Turntrans59.523.6-173.2-53.6-67.4000114.5R59 L278 Q279 H280 W284R59-N282 PolarHBondContact NH2-ND2 2.9Å; L278-N282 PolarHBondContact O-N 2.89Å; Q279-N282 WeakPolarHBondContact O-CA 3.21Å; Q279-N282 PolarHBondContact O-N 3.18Å; H280-N282 PolarHBondContact O-N 3.2Å; N282-W284 PolarHBondContact O-N 2.91Å; N282-W284 VanDerWaalsContact O-N 3.12Å
283L61.1Low66.5Low11 Ų1146.8 Ų46.86%0.05822%0.224CC..  trans-87.951.4176.9-58.1169000110.7H171 I173 A174 L278 F281 N285 L286 A287H171-L283 WeakPolarHBondContact CE1-CD2 3.41Å; I173-L283 HydrophobicContact CB-CD2 4.06Å; I173-L283 HydrophobicContact CG2-CD2 3.99Å; A174-L283 HydrophobicContact CB-CD1 3.85Å; L278-L283 HydrophobicContact CB-CB 4.29Å; L278-L283 HydrophobicContact CD2-CD1 3.78Å; L278-L283 WeakPolarHBondContact O-CA 3.44Å; L278-L283 VanDerWaalsContact O-CB 3.3Å; L278-L283 WeakPolarHBondContact O-CB 3.16Å; L278-L283 PolarHBondContact O-N 2.96Å; F281-L283 HydrophobicContact CB-CD1 3.94Å; F281-L283 HydrophobicContact CB-CG 4.04Å; F281-L283 PolarHBondContact O-N 3.43Å; L283-N285 PolarHBondContact O-N 3.35Å; L283-L286 HydrophobicContact CB-CB 4.08Å; L283-L286 HydrophobicContact CB-CD2 4.27Å; L283-L286 HydrophobicContact CD1-CD2 4.17Å; L283-L286 WeakPolarHBondContact O-CB 3.28Å; L283-L286 PolarHBondContact O-N 2.86Å; L283-A287 WeakPolarHBondContact O-CB 3.3Å; L283-A287 PolarHBondContact O-N 2.99Å
284W55.7Low65.8Low132 Ų13243.3 Ų43.350%0.521%0.209SC..Hα-helixtrans-61.5-41.7-171.1-67.394.5000113.3Q279 N282 A287 N288Q279-W284 HydrophobicContact CB-CD2 4.15Å; Q279-W284 HydrophobicContact CB-CE3 3.98Å; Q279-W284 HydrophobicContact CB-CH2 3.77Å; Q279-W284 HydrophobicContact CB-CZ2 3.96Å; Q279-W284 HydrophobicContact CB-CZ3 3.78Å; Q279-W284 HydrophobicContact CG-CD2 3.99Å; Q279-W284 HydrophobicContact CG-CE3 3.46Å; Q279-W284 VanDerWaalsContact CG-CE3 3.46Å; Q279-W284 HydrophobicContact CG-CH2 4.03Å; Q279-W284 HydrophobicContact CG-CZ2 4.5Å; Q279-W284 HydrophobicContact CG-CZ3 3.48Å; Q279-W284 VanDerWaalsContact CG-CZ3 3.48Å; N282-W284 PolarHBondContact O-N 2.91Å; N282-W284 VanDerWaalsContact O-N 3.12Å; W284-A287 WeakPolarHBondContact O-CB 3.48Å; W284-A287 PolarHBondContact O-N 2.67Å; W284-N288 WeakPolarHBondContact O-CB 3.5Å; W284-N288 PolarHBondContact O-N 2.83Å
285N50.5Low65Low58 Ų5847.8 Ų47.831%0.3123%0.23SC..Hα-helixtrans-69.9-35.6177.9-77.1-22.1000112.9L283 N288 R289 E391L283-N285 PolarHBondContact O-N 3.35Å; N285-N288 PolarHBondContact O-N 3.03Å; N285-R289 WeakPolarHBondContact O-CB 3.34Å; N285-R289 WeakPolarHBondContact O-CG 3.24Å; N285-R289 PolarHBondContact O-N 3.22Å; N285-E391 PolarHBondContact ND2-OE1 2.98Å; N285-E391 PolarHBondContact ND2-OE2 3.01Å
286L59.4Low63.9Low3 Ų356.4 Ų56.42%0.01626%0.263CS..Hα-helixtrans-64.8-44.3172.5-174.867.2000110.5T167 I168 H171 A174 L278 L283 R289 I290T167-L286 HydrophobicContact CG2-CD1 3.71Å; I168-L286 HydrophobicContact CG1-CD2 4.34Å; H171-L286 HydrophobicContact CB-CD1 4.15Å; H171-L286 HydrophobicContact CB-CD2 3.86Å; A174-L286 HydrophobicContact CB-CD2 4.19Å; L278-L286 HydrophobicContact CD1-CD2 4.33Å; L278-L286 HydrophobicContact CD1-CG 4.36Å; L278-L286 HydrophobicContact CD2-CD2 3.95Å; L283-L286 HydrophobicContact CB-CB 4.08Å; L283-L286 HydrophobicContact CB-CD2 4.27Å; L283-L286 HydrophobicContact CD1-CD2 4.17Å; L283-L286 WeakPolarHBondContact O-CB 3.28Å; L283-L286 PolarHBondContact O-N 2.86Å; L286-R289 PolarHBondContact O-N 3.29Å; L286-I290 HydrophobicContact CD1-CD1 4.45Å; L286-I290 HydrophobicContact CG-CD1 4.1Å; L286-I290 WeakPolarHBondContact O-CD1 3.3Å; L286-I290 VanDerWaalsContact O-CG1 3.3Å; L286-I290 WeakPolarHBondContact O-CG1 3.3Å; L286-I290 PolarHBondContact O-N 3Å
287A59.2Low62.6Low0 Ų056.9 Ų56.90%026%0.263CS..Hα-helixtrans-61.8-45.1176.600000111.7I275 L278 Q279 L283 W284 R289 I290 Q291I275-A287 HydrophobicContact CG2-CB 4.21Å; L278-A287 HydrophobicContact CB-CB 3.98Å; Q279-A287 HydrophobicContact CG-CB 3.79Å; L283-A287 WeakPolarHBondContact O-CB 3.3Å; L283-A287 PolarHBondContact O-N 2.99Å; W284-A287 WeakPolarHBondContact O-CB 3.48Å; W284-A287 PolarHBondContact O-N 2.67Å; A287-R289 PolarHBondContact O-N 3.21Å; A287-I290 PolarHBondContact O-N 3.25Å; A287-Q291 WeakPolarHBondContact O-CB 3.48Å; A287-Q291 PolarHBondContact O-N 3.31Å
288N62.1Low60.9Low81 Ų8161.4 Ų61.443%0.43329%0.287SS..Hα-helixtrans-65.5-37.1176.8-76.1-13.9000112.7W284 N285 I290 Q291 T292W284-N288 WeakPolarHBondContact O-CB 3.5Å; W284-N288 PolarHBondContact O-N 2.83Å; N285-N288 PolarHBondContact O-N 3.03Å; N288-I290 VanDerWaalsContact C-N 3.35Å; N288-Q291 PolarHBondContact O-N 2.89Å; N288-T292 PolarHBondContact O-N 3.25Å; N288-T292 PolarHBondContact O-OG1 2.93Å
289R60.6Low59.3Low111 Ų11168.9 Ų68.942%0.41932%0.321SS..Hα-helixtrans-64.1-40.4173-83-179.681.1-179.26.4112.1N285 L286 A287 T292 Q293N285-R289 WeakPolarHBondContact O-CB 3.34Å; N285-R289 WeakPolarHBondContact O-CG 3.24Å; N285-R289 PolarHBondContact O-N 3.22Å; L286-R289 PolarHBondContact O-N 3.29Å; A287-R289 PolarHBondContact O-N 3.21Å; R289-T292 WeakPolarHBondContact CA-OG1 3.4Å; R289-T292 PolarHBondContact O-OG1 3.49Å; R289-T292 VanDerWaalsContact O-OG1 3.07Å; R289-Q293 WeakPolarHBondContact O-CB 3.47Å; R289-Q293 VanDerWaalsContact O-CG 3.31Å; R289-Q293 WeakPolarHBondContact O-CG 3.47Å; R289-Q293 PolarHBondContact O-N 3.41Å
290I63.5Low57.5Low0 Ų074.1 Ų74.10%035%0.351CS..Hα-helixtrans-69.4-40.4177.5-69.3163.6000110.5I164 T167 I168 V270 I275 L278 L286 A287 N288 Q293 I294I164-I290 HydrophobicContact CG1-CG2 4.29Å; I164-I290 HydrophobicContact CG2-CD1 4.46Å; I164-I290 HydrophobicContact CG2-CG2 4.26Å; T167-I290 HydrophobicContact CG2-CG1 4.26Å; I168-I290 HydrophobicContact CD1-CD1 3.83Å; I168-I290 HydrophobicContact CG1-CD1 3.49Å; I168-I290 VanDerWaalsContact CG1-CD1 3.49Å; V270-I290 HydrophobicContact CG1-CG2 3.41Å; V270-I290 VanDerWaalsContact CG1-CG2 3.41Å; I275-I290 HydrophobicContact CD1-CG2 4.29Å; I275-I290 HydrophobicContact CG1-CG2 4.29Å; L278-I290 HydrophobicContact CD1-CD1 3.41Å; L278-I290 VanDerWaalsContact CD1-CD1 3.41Å; L286-I290 HydrophobicContact CD1-CD1 4.45Å; L286-I290 HydrophobicContact CG-CD1 4.1Å; L286-I290 WeakPolarHBondContact O-CD1 3.3Å; L286-I290 VanDerWaalsContact O-CG1 3.3Å; L286-I290 WeakPolarHBondContact O-CG1 3.3Å; L286-I290 PolarHBondContact O-N 3Å; A287-I290 PolarHBondContact O-N 3.25Å; N288-I290 VanDerWaalsContact C-N 3.35Å; I290-Q293 PolarHBondContact O-N 3.4Å; I290-I294 HydrophobicContact CG2-CD1 4.48Å; I290-I294 PolarHBondContact O-N 3.03Å; I290-I294 VanDerWaalsContact O-N 3.15Å
291Q69.4Low55.5Low50 Ų5074.1 Ų74.123%0.23436%0.358CS..Hα-helixtrans-57.2-53.7174.3-173.471.929.300110.8I275 A287 N288 Q293 I294 E295I275-Q291 HydrophobicContact CD1-CB 3.76Å; I275-Q291 HydrophobicContact CD1-CG 4.39Å; A287-Q291 WeakPolarHBondContact O-CB 3.48Å; A287-Q291 PolarHBondContact O-N 3.31Å; N288-Q291 PolarHBondContact O-N 2.89Å; Q291-Q293 PolarHBondContact O-N 3.44Å; Q291-I294 PolarHBondContact O-N 2.95Å; Q291-I294 VanDerWaalsContact O-N 3.11Å; Q291-E295 WeakPolarHBondContact CG-OE1 3.46Å; Q291-E295 PolarHBondContact NE2-OE1 3.36Å; Q291-E295 WeakPolarHBondContact O-CG 3.47Å; Q291-E295 PolarHBondContact O-N 2.93Å
292T62.6Low54Low70 Ų7081.5 Ų81.543%0.42939%0.386SS..Hα-helixtrans-64.2-37.3-179.540.60000112.9N288 R289 I294 E295 Y296N288-T292 PolarHBondContact O-N 3.25Å; N288-T292 PolarHBondContact O-OG1 2.93Å; R289-T292 WeakPolarHBondContact CA-OG1 3.4Å; R289-T292 PolarHBondContact O-OG1 3.49Å; R289-T292 VanDerWaalsContact O-OG1 3.07Å; T292-I294 VanDerWaalsContact C-N 3.25Å; T292-I294 PolarHBondContact O-N 3.15Å; T292-E295 PolarHBondContact O-N 3.17Å; T292-Y296 PolarHBondContact O-N 3.22Å
293Q62.4Low52.5Low62 Ų6284.7 Ų84.729%0.2940%0.403SS..Hα-helixtrans-61.1-33.8173.5-83.3-179.2-1.900112.9R289 I290 Q291 N297R289-Q293 WeakPolarHBondContact O-CB 3.47Å; R289-Q293 VanDerWaalsContact O-CG 3.31Å; R289-Q293 WeakPolarHBondContact O-CG 3.47Å; R289-Q293 PolarHBondContact O-N 3.41Å; I290-Q293 PolarHBondContact O-N 3.4Å; Q291-Q293 PolarHBondContact O-N 3.44Å; Q293-N297 PolarHBondContact O-ND2 3.41Å
294I66.3Low51Low11 Ų1187.1 Ų87.16%0.05642%0.421CS..Hα-helixtrans-79.9-36.8178.5-75.9-179000111.8I164 R267 V270 I290 Q291 T292I164-I294 HydrophobicContact CD1-CD1 3.9Å; I164-I294 HydrophobicContact CD1-CG1 4.3Å; R267-I294 HydrophobicContact CB-CG2 4.33Å; R267-I294 HydrophobicContact CG-CG2 3.68Å; V270-I294 HydrophobicContact CB-CD1 3.31Å; V270-I294 HydrophobicContact CG1-CD1 3.21Å; V270-I294 HydrophobicContact CG2-CD1 3.55Å; I290-I294 HydrophobicContact CG2-CD1 4.48Å; I290-I294 PolarHBondContact O-N 3.03Å; I290-I294 VanDerWaalsContact O-N 3.15Å; Q291-I294 PolarHBondContact O-N 2.95Å; Q291-I294 VanDerWaalsContact O-N 3.11Å; T292-I294 VanDerWaalsContact C-N 3.25Å; T292-I294 PolarHBondContact O-N 3.15Å
295E63.1Low49.7Very low94 Ų9482.1 Ų82.144%0.43941%0.405SS..Hα-helixtrans-67.5-36.7177.3-72.4171.6178.900112.4Q291 T292 N297 D298Q291-E295 WeakPolarHBondContact CG-OE1 3.46Å; Q291-E295 PolarHBondContact NE2-OE1 3.36Å; Q291-E295 WeakPolarHBondContact O-CG 3.47Å; Q291-E295 PolarHBondContact O-N 2.93Å; T292-E295 PolarHBondContact O-N 3.17Å; E295-N297 PolarHBondContact O-N 3.36Å; E295-D298 PolarHBondContact O-N 2.86Å
296Y54Low48.5Very low190 Ų19087 Ų8775%0.74542%0.423SS*.G310 helixtrans-69.4-13.8179.8-111.2-87.9000115.1T292 D298T292-Y296 PolarHBondContact O-N 3.22Å; Y296-D298 VanDerWaalsContact C-N 3.3Å; Y296-D298 PolarHBondContact O-N 3.15Å
297N53.5Low47Very low63 Ų6391.8 Ų91.834%0.33745%0.449SS..G310 helixtrans-84.20.8179.7-70.8-36.3000113.8I160 Q293 E295I160-N297 HydrophobicContact CD1-CB 4.47Å; I160-N297 WeakPolarHBondContact CG1-ND2 3.22Å; Q293-N297 PolarHBondContact O-ND2 3.41Å; E295-N297 PolarHBondContact O-N 3.36Å
298D41.6Very low45.4Very low106 Ų10694.4 Ų94.457%0.56747%0.467SS*.G310 helixtrans-77.6-18.4179.4-90.1-23.7000114.1R267 E295 Y296R267-D298 IonicContact CZ-OD1 3.13Å; R267-D298 IonicContact CZ-OD2 2.75Å; R267-D298 IonicContact NH1-OD1 3.87Å; R267-D298 PolarHBondContact NH1-OD1 2.83Å; R267-D298 IonicContact NH1-OD2 3.18Å; R267-D298 PolarHBondContact NH1-OD2 2.81Å; R267-D298 IonicContact NH2-OD2 2.85Å; R267-D298 PolarHBondContact NH2-OD2 2.84Å; E295-D298 PolarHBondContact O-N 2.86Å; Y296-D298 VanDerWaalsContact C-N 3.3Å; Y296-D298 PolarHBondContact O-N 3.15Å
299E34Very low43.8Very low156 Ų15695.3 Ų95.373%0.72947%0.471SS*.SBendtrans-99.9140.7179.2-64.2-168165.600110.3T301E299-T301 PolarHBondContact O-N 2.84Å; E299-T301 PolarHBondContact O-OG1 3.31Å
300N34.2Very low42.1Very low160 Ų16094.8 Ų94.886%0.85648%0.476SS*.SBendtrans-59.930.5-168.4-71.4-51.8000117.1Y302N300-Y302 PolarHBondContact O-N 3.43Å
301T32.2Very low40.5Very low94 Ų94100.2 Ų100.258%0.57751%0.505SS*.  trans-97.878.9-176.810.90000110.7E299 D303E299-T301 PolarHBondContact O-N 2.84Å; E299-T301 PolarHBondContact O-OG1 3.31Å; T301-D303 PolarHBondContact O-N 3.39Å
302Y30.3Very low38.6Very low195 Ų195103.1 Ų103.177%0.76552%0.517SS*.THydrogen-bonded Turntrans-58.3-5.2174.1-92.8-95.1000115.2N300N300-Y302 PolarHBondContact O-N 3.43Å
303D27Very low37Very low132 Ų132100.6 Ų100.671%0.70650%0.502SS*.THydrogen-bonded Turntrans-99.3-8.2-174.6-79.2-37.7000115.4T301T301-D303 PolarHBondContact O-N 3.39Å
304S30.2Very low35.4Very low61 Ų61101.6 Ų101.643%0.42752%0.515SS..Hα-helixtrans-80.8-26.3-171.874.20000114.4N307S304-N307 PolarHBondContact O-N 3.46Å
305V27.6Very low33.7Very low27 Ų27101.5 Ų101.516%0.16452%0.515CS..Hα-helixtrans-79.3-26.9-174.4-177.90000112.6D159 N163 N307 S308 I309D159-V305 HydrophobicContact CB-CG1 3.78Å; N163-V305 WeakPolarHBondContact ND2-CG1 3.27Å; V305-N307 PolarHBondContact O-N 3.18Å; V305-S308 PolarHBondContact O-N 3.04Å; V305-S308 PolarHBondContact O-OG 2.83Å; V305-I309 HydrophobicContact CG1-CD1 4.2Å; V305-I309 PolarHBondContact O-N 3.43Å
306K25.3Very low32Very low162 Ų162101.8 Ų101.870%0.70452%0.519SS*.Hα-helixtrans-67.9-26.5176.6-148174.9-174.1178.50112.2
307N27Very low30.8Very low103 Ų10396.2 Ų96.255%0.55150%0.497SS*.Hα-helixtrans-84.9-25.8177-73.8-21.7000113.2S304 V305 L310 N311S304-N307 PolarHBondContact O-N 3.46Å; V305-N307 PolarHBondContact O-N 3.18Å; N307-L310 PolarHBondContact O-N 2.87Å; N307-N311 WeakPolarHBondContact O-CB 3.43Å; N307-N311 PolarHBondContact O-N 3.47Å; N307-N311 VanDerWaalsContact O-N 3.11Å; N307-N311 PolarHBondContact O-ND2 3.03Å; N307-N311 PolarHBondContact O-OD1 3.05Å
308S27.4Very low29.4Very low55 Ų5597.8 Ų97.839%0.38550%0.504SS..Hα-helixtrans-73.8-32.6177.562.50000112.8V305 L310V305-S308 PolarHBondContact O-N 3.04Å; V305-S308 PolarHBondContact O-OG 2.83Å; S308-L310 VanDerWaalsContact C-N 3.34Å
309I27Very low28.6Very low100 Ų10097 Ų9751%0.51350%0.5SS..Hα-helixtrans-74.4-25.5176.7-59.8167.8000111.7V305V305-I309 HydrophobicContact CG1-CD1 4.2Å; V305-I309 PolarHBondContact O-N 3.43Å
310L26.3Very low28.2Very low100 Ų10093.5 Ų93.552%0.52449%0.493SS..Hα-helixtrans-90.8-14.1177-90.4157.9000114.3N307 S308 K312N307-L310 PolarHBondContact O-N 2.87Å; S308-L310 VanDerWaalsContact C-N 3.34Å; L310-K312 PolarHBondContact O-N 2.99Å
311N28.4Very low27.7Very low113 Ų11393.3 Ų93.360%0.60448%0.484SS*.  trans-75.264.5174.5-77.4-17.1000111.1N307 C313N307-N311 WeakPolarHBondContact O-CB 3.43Å; N307-N311 PolarHBondContact O-N 3.47Å; N307-N311 VanDerWaalsContact O-N 3.11Å; N307-N311 PolarHBondContact O-ND2 3.03Å; N307-N311 PolarHBondContact O-OD1 3.05Å; N311-C313 PolarHBondContact O-N 3.4Å
312K29.4Very low27.3Very low111 Ų11193.6 Ų93.648%0.48349%0.488SS..  trans-57100.7164-76.1176.8175.7176.30108.1L310 Y317L310-K312 PolarHBondContact O-N 2.99Å; K312-Y317 HydrophobicContact CB-CD2 3.77Å; K312-Y317 HydrophobicContact CB-CE2 3.74Å; K312-Y317 HydrophobicContact CD-CE2 4.11Å; K312-Y317 HydrophobicContact CG-CE2 4.49Å; K312-Y317 WeakPolarHBondContact O-CB 3.29Å; K312-Y317 WeakPolarHBondContact O-CD2 3.49Å
313C29.9Very low27.2Very low18 Ų1891 Ų9112%0.12249%0.486CS..  trans52.693166.7-160.20000115.1N311 L315 L316 Y317 C395 C398N311-C313 PolarHBondContact O-N 3.4Å; C313-L315 PolarHBondContact O-N 3.14Å; C313-L316 PolarHBondContact O-N 3.35Å; C313-Y317 PolarHBondContact O-N 2.78Å; C313-C395 HydrophobicContact CB-CB 3.92Å; C313-C395 WeakPolarHBondContact CB-SG 3.45Å; C313-C395 WeakPolarHBondContact SG-CB 3.15Å; C313-C395 CovalentContact SG-SG 2.03Å; C313-C395 PolarHBondContact SG-SG 3.1Å; C313-C398 PolarHBondContact SG-SG 3.48Å
314S29.3Very low27Very low82 Ų8293.3 Ų93.357%0.57349%0.49SS*.THydrogen-bonded Turntrans-56.25.8174.338.30000116.3
315L29.4Very low26.9Very low10 Ų1096 Ų965%0.05250%0.499CS..THydrogen-bonded Turntrans-120.3-12.9177.4-82.2155.5000115.2C313 N393 V394 V449 T452C313-L315 PolarHBondContact O-N 3.14Å; L315-N393 WeakPolarHBondContact CD1-O 3.43Å; L315-V394 HydrophobicContact CD1-CB 3.82Å; L315-V394 HydrophobicContact CD1-CG1 3.88Å; L315-V394 HydrophobicContact CD1-CG2 3.64Å; L315-V449 HydrophobicContact CD1-CG2 4.16Å; L315-V449 HydrophobicContact CD2-CB 4Å; L315-V449 HydrophobicContact CD2-CG1 3.96Å; L315-V449 HydrophobicContact CD2-CG2 3.85Å; L315-T452 HydrophobicContact CD2-CG2 4.38Å
316L28Very low26.8Very low100 Ų100101.6 Ų101.652%0.52453%0.527SS..THydrogen-bonded Turntrans-125.8-10.7174.8-77170000112.5C313 M318 C398C313-L316 PolarHBondContact O-N 3.35Å; L316-M318 PolarHBondContact O-N 3.05Å; L316-C398 WeakPolarHBondContact CD1-SG 3.34Å
317Y28.4Very low26.7Very low73 Ų73100.6 Ų100.629%0.28653%0.53SS..  trans-72.381.4157.7-118.1-110.8000108.1K312 C313 N319 S320K312-Y317 HydrophobicContact CB-CD2 3.77Å; K312-Y317 HydrophobicContact CB-CE2 3.74Å; K312-Y317 HydrophobicContact CD-CE2 4.11Å; K312-Y317 HydrophobicContact CG-CE2 4.49Å; K312-Y317 WeakPolarHBondContact O-CB 3.29Å; K312-Y317 WeakPolarHBondContact O-CD2 3.49Å; C313-Y317 PolarHBondContact O-N 2.78Å; Y317-N319 PolarHBondContact O-N 3.19Å; Y317-S320 WeakPolarHBondContact CE1-OG 3.18Å; Y317-S320 PolarHBondContact OH-OG 3.35Å
318M25.5Very low26.7Very low95 Ų9599.5 Ų99.547%0.46853%0.53SS..  trans-47.6108.6130-97.9-75.7-172.100103.3L316 S320L316-M318 PolarHBondContact O-N 3.05Å; M318-S320 PolarHBondContact O-N 2.87Å
319N24.9Very low26.6Very low90 Ų90101.5 Ų101.548%0.48154%0.54SS..  trans-37.2122.5173.3-82.5-36.4000106.4Y317 F321Y317-N319 PolarHBondContact O-N 3.19Å; N319-F321 HydrophobicContact CB-CB 4.16Å; N319-F321 HydrophobicContact CB-CD2 3.45Å; N319-F321 VanDerWaalsContact CB-CD2 3.45Å; N319-F321 HydrophobicContact CB-CE2 4.28Å; N319-F321 HydrophobicContact CB-CG 4.24Å; N319-F321 PolarHBondContact O-N 2.93Å
320S23.8Very low26.5Very low83 Ų83102.1 Ų102.158%0.5855%0.552SS**  trans-62.455.9143.762.40000107.8Y317 M318 P322Y317-S320 WeakPolarHBondContact CE1-OG 3.18Å; Y317-S320 PolarHBondContact OH-OG 3.35Å; M318-S320 PolarHBondContact O-N 2.87Å; S320-P322 WeakPolarHBondContact O-CD 3.4Å
321F25.3Very low26.4Very low155 Ų155105 Ų10568%0.6856%0.562SS**  -53.8118.7129.1-93.7-77.1000101.8N319 L323N319-F321 HydrophobicContact CB-CB 4.16Å; N319-F321 HydrophobicContact CB-CD2 3.45Å; N319-F321 VanDerWaalsContact CB-CD2 3.45Å; N319-F321 HydrophobicContact CB-CE2 4.28Å; N319-F321 HydrophobicContact CB-CG 4.24Å; N319-F321 PolarHBondContact O-N 2.93Å; F321-L323 PolarHBondContact O-N 3.41Å
322P23.7Very low26.1Very low100 Ų100106.1 Ų106.165%0.64957%0.568SS**  trans-53.8106.3152.926.4-27.4000102.7S320 K324S320-P322 WeakPolarHBondContact O-CD 3.4Å; P322-K324 PolarHBondContact O-N 2.89Å
323L26.8Very low25.7Very low141 Ų141107.6 Ų107.674%0.73858%0.582SS**  trans-49.682130.3-87.3145.8000103.6F321 L325F321-L323 PolarHBondContact O-N 3.41Å; L323-L325 PolarHBondContact O-N 3.4Å
324K23.6Very low25.4Very low181 Ų181113.3 Ų113.379%0.78761%0.611SS**  -47.480.9109-70.9-176.7179.8178.80103.5P322 L326P322-K324 PolarHBondContact O-N 2.89Å; K324-L326 PolarHBondContact O-N 3.29Å
325L27.2Very low25.2Very low116 Ų116116.4 Ų116.461%0.60762%0.62SS**  -29.8110128.2-145.991.4000100.6L323 N327L323-L325 PolarHBondContact O-N 3.4Å; L325-N327 VanDerWaalsContact C-N 3.27Å; L325-N327 PolarHBondContact O-N 3.43Å
326L25.5Very low25Very low146 Ų146122.4 Ų122.476%0.76465%0.652SS**  trans-40.4118.9167.1-102.998000101.9K324 S328K324-L326 PolarHBondContact O-N 3.29Å; L326-S328 PolarHBondContact O-N 3.48Å
327N24.6Very low24.8Very low141 Ų141124 Ų12475%0.75466%0.661SS**  trans-58.282.4147.4-78.8-12.5000101.1L325 T329L325-N327 VanDerWaalsContact C-N 3.27Å; L325-N327 PolarHBondContact O-N 3.43Å; N327-T329 PolarHBondContact O-N 3.32Å; N327-T329 PolarHBondContact O-OG1 2.82Å
328S25.8Very low24.6Very low80 Ų80127.5 Ų127.556%0.55969%0.685SS**  -50.685.3116.158.70000102.3L326 C330L326-S328 PolarHBondContact O-N 3.48Å; S328-C330 PolarHBondContact O-N 3.38Å
329T26.2Very low24.5Very low96 Ų96127.7 Ų127.759%0.58970%0.695SS**  -22.189.9111.7450000105.8N327 H331N327-T329 PolarHBondContact O-N 3.32Å; N327-T329 PolarHBondContact O-OG1 2.82Å; T329-H331 PolarHBondContact O-N 2.95Å
330C25.7Very low24.5Very low113 Ų113130.8 Ų130.876%0.76471%0.712SS**  -4569.6130-62.10000105.8S328 N332S328-C330 PolarHBondContact O-N 3.38Å; C330-N332 PolarHBondContact O-N 3.21Å
331H22.8Very low24.5Very low161 Ų161133.8 Ų133.875%0.74572%0.72SS**  trans-65.191.3143.2-95.8-41.8000102.1T329 N333T329-H331 PolarHBondContact O-N 2.95Å; H331-N333 VanDerWaalsContact C-N 3.35Å; H331-N333 PolarHBondContact O-N 3.17Å
332N22.6Very low24.4Very low136 Ų136134.6 Ų134.673%0.72773%0.731SS**  398123.8-83.6-10.8000109.6C330C330-N332 PolarHBondContact O-N 3.21Å
333N21.8Very low24.4Very low143 Ų143138 Ų13877%0.76574%0.736SS**  -165.3112.6129.2-86.1-22.4000108.1H331H331-N333 VanDerWaalsContact C-N 3.35Å; H331-N333 PolarHBondContact O-N 3.17Å
334N23Very low24.2Very low138 Ų138137.2 Ų137.274%0.73873%0.733SS**  trans79.493.6144.8-62.2-15.1000117.4
335I25.6Very low24.4Very low147 Ų147136.3 Ų136.375%0.75474%0.735SS**  155109.697.5-80.2146000110.6
336N23.6Very low24.3Very low135 Ų135137.9 Ų137.972%0.72275%0.745SS**  trans38.9128.7140.5-59.4-14000122.2
337N24Very low24.3Very low135 Ų135138.5 Ų138.572%0.72274%0.743SS**  trans57.499.4137.5-621.2000117.3
338D23.8Very low24.3Very low146 Ų146137.8 Ų137.878%0.78175%0.747SS**  166.1138.893.3-89.9-30.7000111.5
339S24.7Very low24.4Very low99 Ų99140 Ų14069%0.69275%0.75SS**  trans71107.6151.665.70000120.8
340N23.8Very low24.6Very low155 Ų155138.1 Ų138.183%0.82974%0.742SS**  56.967.3126.2-62.3-14000119.7
341L25.4Very low24.9Very low145 Ų145135.4 Ų135.476%0.75972%0.724SS**  trans-142.871.4148.1-77.1176.3000110.1F343L341-F343 HydrophobicContact CD2-CD2 3.9Å; L341-F343 HydrophobicContact CD2-CE2 3.84Å; L341-F343 PolarHBondContact O-N 2.86Å
342L21.6Very low25.2Very low173 Ų173131.8 Ų131.891%0.90672%0.716SS**  trans-7277.6157.9-111.5153.4000107.3
343F24.3Very low25.6Very low170 Ų170129.8 Ų129.875%0.74671%0.705SS**  trans-85.6112.1157.4-95.5-83000107L341 L345L341-F343 HydrophobicContact CD2-CD2 3.9Å; L341-F343 HydrophobicContact CD2-CE2 3.84Å; L341-F343 PolarHBondContact O-N 2.86Å; F343-L345 PolarHBondContact O-N 3.34Å
344D23.1Very low26Very low126 Ų126128.8 Ų128.867%0.67470%0.699SS**  trans-45.4107.2169.8-92.1-41.9000110.2N346D344-N346 PolarHBondContact O-N 3.27Å
345L26.7Very low26.4Very low161 Ų161124.7 Ų124.784%0.84368%0.677SS**THydrogen-bonded Turntrans-66.416.8177.3-102.4129.9000114F343F343-L345 PolarHBondContact O-N 3.34Å
346N26.3Very low26.9Very low150 Ų150125.8 Ų125.880%0.80268%0.676SS**THydrogen-bonded Turntrans-111.65.4-177.1-72.7-23.6000113.9D344D344-N346 PolarHBondContact O-N 3.27Å
347Q24.8Very low27.4Very low159 Ų159123.6 Ų123.674%0.74367%0.672SS**SBendtrans-96.8131.5168.6-71.4-167.4-6.900110.4I349Q347-I349 PolarHBondContact O-N 2.78Å
348P25.7Very low28.1Very low126 Ų126119.2 Ų119.282%0.81865%0.651SS**  trans-64.6103.7173.827.9-30.2000107S350P348-S350 PolarHBondContact O-N 3.24Å
349I27.4Very low29.2Very low125 Ų125116.7 Ų116.764%0.64164%0.643SS**  trans-56.5116.2173.8-62.7166.9000106Q347 S351 D353Q347-I349 PolarHBondContact O-N 2.78Å; I349-S351 PolarHBondContact O-N 3.28Å; I349-D353 HydrophobicContact CG2-CB 4.19Å
350S30.8Very low30.3Very low58 Ų58113.7 Ų113.741%0.40662%0.618SS.*  trans-60.2138.2177.984.30000108.2P348 C352 D353P348-S350 PolarHBondContact O-N 3.24Å; S350-C352 PolarHBondContact O-N 2.77Å; S350-D353 PolarHBondContact O-N 3.28Å; S350-D353 PolarHBondContact OG-OD2 2.03Å
351S31.3Very low31.6Very low55 Ų55107.5 Ų107.539%0.38558%0.583SS.*THydrogen-bonded Turntrans-53.4-18178.747.40000113.6I349 L355I349-S351 PolarHBondContact O-N 3.28Å; S351-L355 WeakPolarHBondContact O-CD1 3.17Å; S351-L355 WeakPolarHBondContact O-CG 3.35Å
352C29.7Very low32.9Very low85 Ų85104.5 Ų104.557%0.57457%0.568SS**THydrogen-bonded Turntrans-70.1-30.7174.9-75.60000114.8S350 L355S350-C352 PolarHBondContact O-N 2.77Å; C352-L355 PolarHBondContact O-N 2.98Å
353D29.3Very low34.9Very low95 Ų95100.2 Ų100.251%0.50854%0.54SS..THydrogen-bonded Turntrans-81.4-30.2-174.1-68.1-47.6000112.7I349 S350 L355I349-D353 HydrophobicContact CG2-CB 4.19Å; S350-D353 PolarHBondContact O-N 3.28Å; S350-D353 PolarHBondContact OG-OD2 2.03Å; D353-L355 PolarHBondContact O-N 2.86Å
354L30.6Very low36.5Very low121 Ų12192.1 Ų92.163%0.63451%0.505SS*.THydrogen-bonded Turntrans-71.7-20.1173.6-127.6134.8000112.6S357L354-S357 PolarHBondContact O-OG 3.45Å; L354-S357 VanDerWaalsContact O-OG 3.1Å
355L32.1Very low38.1Very low52 Ų5289.7 Ų89.727%0.27249%0.488SS..THydrogen-bonded Turntrans-83.2-26.9-177.6-82.4169.2000113.7S351 C352 D353 S357S351-L355 WeakPolarHBondContact O-CD1 3.17Å; S351-L355 WeakPolarHBondContact O-CG 3.35Å; C352-L355 PolarHBondContact O-N 2.98Å; D353-L355 PolarHBondContact O-N 2.86Å; L355-S357 PolarHBondContact O-N 3.35Å
356K35.2Very low39.9Very low170 Ų17085 Ų8574%0.73947%0.469SS*.THydrogen-bonded Turntrans-68.4-20.1178.3-81179.8177.4171.10113.3
357S34.1Very low41.9Very low90 Ų9078.7 Ų78.763%0.62944%0.435SS*.THydrogen-bonded Turntrans-95.9-2.6-171.6510000115.7L354 L355 P359L354-S357 PolarHBondContact O-OG 3.45Å; L354-S357 VanDerWaalsContact O-OG 3.1Å; L355-S357 PolarHBondContact O-N 3.35Å; S357-P359 VanDerWaalsContact O-CD 3.3Å; S357-P359 WeakPolarHBondContact O-CD 3.44Å
358C39.7Very low43.7Very low42 Ų4271.4 Ų71.428%0.28440%0.401SS..  trans-104.3101-175.5-148.20000112Q360 F361C358-Q360 PolarHBondContact O-N 3.49Å; C358-F361 HydrophobicContact CB-CB 4.49Å; C358-F361 HydrophobicContact CB-CD2 4.13Å; C358-F361 PolarHBondContact O-N 3.11Å
359P45.7Very low45.6Very low94 Ų9468.1 Ų68.161%0.6137%0.374SS*.Hα-helixtrans-62.6-28-172.121.7-31.8000114S357 F361 N362 Y363S357-P359 VanDerWaalsContact O-CD 3.3Å; S357-P359 WeakPolarHBondContact O-CD 3.44Å; P359-F361 VanDerWaalsContact C-N 3.28Å; P359-F361 PolarHBondContact O-N 3.46Å; P359-N362 PolarHBondContact O-N 2.87Å; P359-Y363 PolarHBondContact O-N 3.36Å
360Q48.6Very low47.6Very low36 Ų3664.8 Ų64.817%0.16836%0.362CS..Hα-helixtrans-64.8-32176.5-63.71538.500112.2C358 A364 Q483C358-Q360 PolarHBondContact O-N 3.49Å; Q360-A364 PolarHBondContact O-N 2.9Å; Q360-Q483 PolarHBondContact O-OE1 3.19Å
361F51.3Low49.3Very low25 Ų2562.1 Ų62.111%0.1134%0.343CS..Hα-helixtrans-75.9-30.5176-91.2-77.1000112.5C358 P359 K365 L454 Q455 L458C358-F361 HydrophobicContact CB-CB 4.49Å; C358-F361 HydrophobicContact CB-CD2 4.13Å; C358-F361 PolarHBondContact O-N 3.11Å; P359-F361 VanDerWaalsContact C-N 3.28Å; P359-F361 PolarHBondContact O-N 3.46Å; F361-K365 WeakPolarHBondContact O-CB 3.41Å; F361-K365 PolarHBondContact O-N 3.47Å; F361-L454 HydrophobicContact CD1-CD2 4.44Å; F361-L454 HydrophobicContact CE1-CG 4.49Å; F361-Q455 HydrophobicContact CE1-CB 3.67Å; F361-Q455 HydrophobicContact CE1-CG 4.01Å; F361-Q455 HydrophobicContact CZ-CB 3.94Å; F361-Q455 HydrophobicContact CZ-CG 3.79Å; F361-L458 HydrophobicContact CD1-CD1 4.16Å; F361-L458 HydrophobicContact CE1-CB 4.41Å; F361-L458 HydrophobicContact CE1-CD1 3.56Å; F361-L458 HydrophobicContact CZ-CB 3.95Å; F361-L458 HydrophobicContact CZ-CD1 3.79Å; F361-L458 HydrophobicContact CZ-CG 4.5Å
362N53.6Low51Low82 Ų8259.5 Ų59.544%0.43933%0.325SS..Hα-helixtrans-68-38.7178.8-72.1-26.9000112.1P359 S366P359-N362 PolarHBondContact O-N 2.87Å; N362-S366 PolarHBondContact O-N 2.91Å
363Y62.4Low52.8Low82 Ų8260.5 Ų60.532%0.32232%0.321SS..Hα-helixtrans-69-49.1177.2-176.2-106.3000112.3P359 K365 S366 L367 E480 Q483P359-Y363 PolarHBondContact O-N 3.36Å; Y363-K365 PolarHBondContact O-N 3.5Å; Y363-S366 PolarHBondContact O-N 3.41Å; Y363-S366 VanDerWaalsContact O-N 3.13Å; Y363-S366 PolarHBondContact O-OG 2.77Å; Y363-L367 HydrophobicContact CD1-CD1 3.71Å; Y363-L367 HydrophobicContact CD1-CG 4.42Å; Y363-L367 HydrophobicContact CE1-CD1 3.25Å; Y363-L367 HydrophobicContact CE1-CG 3.98Å; Y363-L367 PolarHBondContact O-N 3.06Å; Y363-E480 HydrophobicContact CD1-CG 4.14Å; Y363-E480 HydrophobicContact CE1-CG 3.27Å; Y363-E480 VanDerWaalsContact CZ-OE1 3.23Å; Y363-E480 PolarHBondContact OH-OE1 3.4Å; Y363-Q483 VanDerWaalsContact CD1-OE1 3.3Å
364A57.6Low54.5Low0 Ų057 Ų570%030%0.304CS..Hα-helixtrans-62.9-33.1176.300000112.5Q360 L368 L454 L458 Q483 V487Q360-A364 PolarHBondContact O-N 2.9Å; A364-L368 WeakPolarHBondContact O-CB 3.24Å; A364-L368 PolarHBondContact O-N 3.16Å; A364-L454 HydrophobicContact CB-CD1 4.19Å; A364-L454 HydrophobicContact CB-CD2 3.64Å; A364-L454 HydrophobicContact CB-CG 4.31Å; A364-L458 HydrophobicContact CB-CD1 4.33Å; A364-Q483 HydrophobicContact CB-CB 4.06Å; A364-Q483 HydrophobicContact CB-CG 4.35Å; A364-V487 HydrophobicContact CB-CG2 4.26Å; A364-V487 WeakPolarHBondContact O-CG2 3.24Å
365K57.4Low56.1Low75 Ų7551.2 Ų51.233%0.32627%0.273SS..Hα-helixtrans-64.5-43.9171.6177.9179.9-177.8177.60112.3F361 Y363 L368 F369 V447 C451F361-K365 WeakPolarHBondContact O-CB 3.41Å; F361-K365 PolarHBondContact O-N 3.47Å; Y363-K365 PolarHBondContact O-N 3.5Å; K365-L368 PolarHBondContact O-N 3.48Å; K365-F369 HydrophobicContact CG-CD2 4.2Å; K365-F369 WeakPolarHBondContact O-CB 3.36Å; K365-F369 PolarHBondContact O-N 3.4Å; K365-V447 VanDerWaalsContact CE-CG1 3.48Å; K365-C451 VanDerWaalsContact CD-SG 3.57Å
366S65.4Low57.4Low62 Ų6249.2 Ų49.243%0.43426%0.262SS..Hα-helixtrans-66.2-41.8178.669.30000111.7N362 Y363 L368 F369 S370N362-S366 PolarHBondContact O-N 2.91Å; Y363-S366 PolarHBondContact O-N 3.41Å; Y363-S366 VanDerWaalsContact O-N 3.13Å; Y363-S366 PolarHBondContact O-OG 2.77Å; S366-L368 VanDerWaalsContact C-N 3.33Å; S366-L368 PolarHBondContact O-N 3.43Å; S366-F369 WeakPolarHBondContact O-CB 3.23Å; S366-F369 PolarHBondContact O-N 3.5Å; S366-S370 PolarHBondContact O-N 3.27Å; S366-S370 PolarHBondContact O-OG 2.95Å
367L67.1Low58.5Low18 Ų1847.1 Ų47.19%0.09426%0.255CS..Hα-helixtrans-58.3-45175.1-80.3170.6000112.2Y363 F369 S370 C371 K484 V487 M518Y363-L367 HydrophobicContact CD1-CD1 3.71Å; Y363-L367 HydrophobicContact CD1-CG 4.42Å; Y363-L367 HydrophobicContact CE1-CD1 3.25Å; Y363-L367 HydrophobicContact CE1-CG 3.98Å; Y363-L367 PolarHBondContact O-N 3.06Å; L367-F369 VanDerWaalsContact C-N 3.34Å; L367-S370 WeakPolarHBondContact CA-OG 3.41Å; L367-S370 PolarHBondContact O-N 2.88Å; L367-S370 PolarHBondContact O-OG 3.3Å; L367-C371 PolarHBondContact O-N 3Å; L367-C371 PolarHBondContact O-SG 2.98Å; L367-K484 HydrophobicContact CD1-CG 3.77Å; L367-V487 HydrophobicContact CB-CG1 4.47Å; L367-V487 HydrophobicContact CB-CG2 4.25Å; L367-M518 HydrophobicContact CB-CG 4.49Å; L367-M518 HydrophobicContact CB-SD 3.78Å; L367-M518 HydrophobicContact CD1-SD 4.39Å; L367-M518 HydrophobicContact CD2-CG 3.44Å; L367-M518 VanDerWaalsContact CD2-CG 3.44Å; L367-M518 HydrophobicContact CD2-SD 3.88Å; L367-M518 HydrophobicContact CG-CG 4.41Å; L367-M518 HydrophobicContact CG-SD 4.24Å
368L63.5Low59.5Low6 Ų644.5 Ų44.53%0.03123%0.233CC..Hα-helixtrans-64.1-44.7179-169.2140000110.4A364 K365 S366 S370 C371 I372 F450 V487 I490A364-L368 WeakPolarHBondContact O-CB 3.24Å; A364-L368 PolarHBondContact O-N 3.16Å; K365-L368 PolarHBondContact O-N 3.48Å; S366-L368 VanDerWaalsContact C-N 3.33Å; S366-L368 PolarHBondContact O-N 3.43Å; L368-S370 PolarHBondContact O-N 3.44Å; L368-C371 PolarHBondContact O-N 3.07Å; L368-C371 VanDerWaalsContact O-N 3.07Å; L368-I372 HydrophobicContact CD2-CD1 3.64Å; L368-I372 HydrophobicContact CD2-CG1 4.24Å; L368-I372 HydrophobicContact CD2-CG2 4.33Å; L368-I372 WeakPolarHBondContact O-CG1 3.32Å; L368-I372 PolarHBondContact O-N 2.74Å; L368-I372 VanDerWaalsContact O-N 3.14Å; L368-F450 HydrophobicContact CD1-CB 3.89Å; L368-F450 HydrophobicContact CD1-CD1 3.89Å; L368-F450 HydrophobicContact CD1-CG 4.12Å; L368-F450 HydrophobicContact CD2-CB 3.25Å; L368-F450 HydrophobicContact CD2-CD1 4Å; L368-F450 HydrophobicContact CD2-CD2 3.81Å; L368-F450 HydrophobicContact CD2-CG 3.45Å; L368-F450 VanDerWaalsContact CD2-CG 3.45Å; L368-F450 HydrophobicContact CG-CB 4.2Å; L368-F450 HydrophobicContact CG-CD1 4.45Å; L368-F450 HydrophobicContact CG-CG 4.35Å; L368-V487 HydrophobicContact CB-CG1 3.75Å; L368-V487 HydrophobicContact CB-CG2 4.15Å; L368-V487 HydrophobicContact CD1-CG1 4.16Å; L368-V487 HydrophobicContact CG-CG1 4.1Å; L368-I490 HydrophobicContact CD1-CD1 4.42Å; L368-I490 HydrophobicContact CD1-CG2 4.13Å
369F64.9Low59.9Low58 Ų5844.7 Ų44.725%0.25424%0.235SC..Hα-helixtrans-55.5-47.1176.4-110.2-64.4000113.8K365 S366 L367 C371 I372 E373 F376 H443 V447K365-F369 HydrophobicContact CG-CD2 4.2Å; K365-F369 WeakPolarHBondContact O-CB 3.36Å; K365-F369 PolarHBondContact O-N 3.4Å; S366-F369 WeakPolarHBondContact O-CB 3.23Å; S366-F369 PolarHBondContact O-N 3.5Å; L367-F369 VanDerWaalsContact C-N 3.34Å; F369-C371 PolarHBondContact O-N 3.25Å; F369-I372 HydrophobicContact CD1-CD1 4.43Å; F369-I372 HydrophobicContact CD1-CG1 4.48Å; F369-I372 WeakPolarHBondContact O-CG1 3.1Å; F369-I372 PolarHBondContact O-N 3.02Å; F369-I372 VanDerWaalsContact O-N 3.14Å; F369-E373 PolarHBondContact O-N 3.1Å; F369-F376 HydrophobicContact CD1-CE2 4.47Å; F369-F376 HydrophobicContact CE1-CE2 4.35Å; F369-H443 AromaticContact CE1-CD2 3.79Å; F369-H443 AromaticContact CE1-NE2 3.53Å; F369-V447 HydrophobicContact CD2-CG2 4.31Å; F369-V447 HydrophobicContact CE1-CG2 3.68Å; F369-V447 HydrophobicContact CE2-CB 4.3Å; F369-V447 HydrophobicContact CE2-CG1 4.02Å; F369-V447 HydrophobicContact CE2-CG2 3.27Å; F369-V447 HydrophobicContact CZ-CB 4.28Å; F369-V447 HydrophobicContact CZ-CG1 4.43Å; F369-V447 HydrophobicContact CZ-CG2 2.93Å
370S70.4Confident59.7Low54 Ų5443.6 Ų43.638%0.37822%0.223SC..Hα-helixtrans-61.1-27.3177.942.80000113.1S366 L367 L368S366-S370 PolarHBondContact O-N 3.27Å; S366-S370 PolarHBondContact O-OG 2.95Å; L367-S370 WeakPolarHBondContact CA-OG 3.41Å; L367-S370 PolarHBondContact O-N 2.88Å; L367-S370 PolarHBondContact O-OG 3.3Å; L368-S370 PolarHBondContact O-N 3.44Å
371C66Low59.7Low2 Ų242.1 Ų42.11%0.01422%0.216CC..Hα-helixtrans-82.9-28.6177.4-61.10000113L367 L368 F369 I491 I511 L514L367-C371 PolarHBondContact O-N 3Å; L367-C371 PolarHBondContact O-SG 2.98Å; L368-C371 PolarHBondContact O-N 3.07Å; L368-C371 VanDerWaalsContact O-N 3.07Å; F369-C371 PolarHBondContact O-N 3.25Å; C371-I491 HydrophobicContact CB-CD1 3.34Å; C371-I491 HydrophobicContact CB-CG1 4.42Å; C371-I511 WeakPolarHBondContact O-CG1 3.48Å; C371-L514 HydrophobicContact CB-CB 4.47Å
372I66.7Low59.4Low0 Ų044 Ų440%023%0.227CC..Hα-helixtrans-98.5-5.3-176.561.9169.8000113.5L368 F369 P374 I375 F376 L446 F450 L495L368-I372 HydrophobicContact CD2-CD1 3.64Å; L368-I372 HydrophobicContact CD2-CG1 4.24Å; L368-I372 HydrophobicContact CD2-CG2 4.33Å; L368-I372 WeakPolarHBondContact O-CG1 3.32Å; L368-I372 PolarHBondContact O-N 2.74Å; L368-I372 VanDerWaalsContact O-N 3.14Å; F369-I372 HydrophobicContact CD1-CD1 4.43Å; F369-I372 HydrophobicContact CD1-CG1 4.48Å; F369-I372 WeakPolarHBondContact O-CG1 3.1Å; F369-I372 PolarHBondContact O-N 3.02Å; F369-I372 VanDerWaalsContact O-N 3.14Å; I372-P374 VanDerWaalsContact C-N 3.29Å; I372-I375 HydrophobicContact CB-CD1 3.94Å; I372-I375 HydrophobicContact CB-CG1 4.47Å; I372-I375 HydrophobicContact CG2-CD1 4.12Å; I372-I375 WeakPolarHBondContact O-CB 3.35Å; I372-I375 WeakPolarHBondContact O-CG1 3.43Å; I372-I375 PolarHBondContact O-N 3.45Å; I372-F376 HydrophobicContact CB-CE2 4.36Å; I372-F376 HydrophobicContact CD1-CE2 3.77Å; I372-F376 HydrophobicContact CD1-CZ 3.9Å; I372-F376 HydrophobicContact CG1-CE2 3.79Å; I372-F376 HydrophobicContact CG1-CZ 4.41Å; I372-F376 WeakPolarHBondContact O-CD2 3.43Å; I372-L446 HydrophobicContact CD1-CD2 3.96Å; I372-F450 HydrophobicContact CD1-CD2 3.8Å; I372-F450 HydrophobicContact CD1-CE2 4.1Å; I372-F450 HydrophobicContact CG2-CE2 4.1Å; I372-F450 HydrophobicContact CG2-CZ 4.35Å; I372-L495 HydrophobicContact CG2-CD2 3.45Å; I372-L495 VanDerWaalsContact CG2-CD2 3.45Å
373E66.9Low58.8Low107 Ų10743.3 Ų43.350%0.522%0.223SC..Hα-helixtrans-46.7-44.2177.2-166.9174.3-172.700113.7F369 I375 F376F369-E373 PolarHBondContact O-N 3.1Å; E373-I375 PolarHBondContact O-N 3.15Å; E373-I375 VanDerWaalsContact O-N 3.14Å; E373-F376 PolarHBondContact O-N 2.91Å; E373-F376 VanDerWaalsContact O-N 3.1Å
374P66.5Low58.3Low21 Ų2143.2 Ų43.214%0.13623%0.228CC..Hα-helixtrans-59.8-28.8179.4-24.134.8000114.4I372 F376 H377 H378 L507 E510 I511 L514I372-P374 VanDerWaalsContact C-N 3.29Å; P374-F376 VanDerWaalsContact C-N 3.26Å; P374-F376 PolarHBondContact O-N 3.08Å; P374-H377 PolarHBondContact O-N 2.94Å; P374-H378 PolarHBondContact O-N 3.43Å; P374-L507 HydrophobicContact CB-CD1 4.35Å; P374-L507 HydrophobicContact CB-CG 4.48Å; P374-E510 HydrophobicContact CG-CG 4.39Å; P374-I511 HydrophobicContact CB-CG1 4.3Å; P374-I511 HydrophobicContact CG-CG1 4.21Å; P374-L514 HydrophobicContact CG-CD1 3.73Å
375I63.8Low58Low0 Ų043.8 Ų43.80%023%0.23CC..Hα-helixtrans-58.8-41.4177.9-60-176.4000111.1I372 E373 H377 H378 I381 W385 L388 L446 L495 L499 L507 I511I372-I375 HydrophobicContact CB-CD1 3.94Å; I372-I375 HydrophobicContact CB-CG1 4.47Å; I372-I375 HydrophobicContact CG2-CD1 4.12Å; I372-I375 WeakPolarHBondContact O-CB 3.35Å; I372-I375 WeakPolarHBondContact O-CG1 3.43Å; I372-I375 PolarHBondContact O-N 3.45Å; E373-I375 PolarHBondContact O-N 3.15Å; E373-I375 VanDerWaalsContact O-N 3.14Å; I375-H377 PolarHBondContact O-N 3.49Å; I375-H378 PolarHBondContact O-N 3.2Å; I375-I381 HydrophobicContact CB-CD1 4.24Å; I375-I381 HydrophobicContact CG2-CD1 3.57Å; I375-I381 HydrophobicContact CG2-CG2 4Å; I375-W385 HydrophobicContact CG2-CH2 3.69Å; I375-W385 HydrophobicContact CG2-CZ2 4.18Å; I375-L388 HydrophobicContact CG2-CD2 3.78Å; I375-L446 HydrophobicContact CD1-CD2 4.36Å; I375-L446 HydrophobicContact CG2-CD2 4.29Å; I375-L495 HydrophobicContact CD1-CD1 3.33Å; I375-L495 HydrophobicContact CD1-CD2 3.82Å; I375-L495 HydrophobicContact CD1-CG 4.08Å; I375-L499 HydrophobicContact CD1-CD1 4.47Å; I375-L507 HydrophobicContact CB-CD2 4.3Å; I375-L507 HydrophobicContact CG1-CD2 3.74Å; I375-I511 HydrophobicContact CD1-CD1 3.85Å; I375-I511 HydrophobicContact CG1-CD1 3.35Å
376F57.9Low57.4Low10 Ų1042.8 Ų42.84%0.04423%0.231CC..Hα-helixtrans-76-18.8-173.2-58.2-70.2000112.9F369 I372 E373 P374 W385 H443 L446F369-F376 HydrophobicContact CD1-CE2 4.47Å; F369-F376 HydrophobicContact CE1-CE2 4.35Å; I372-F376 HydrophobicContact CB-CE2 4.36Å; I372-F376 HydrophobicContact CD1-CE2 3.77Å; I372-F376 HydrophobicContact CD1-CZ 3.9Å; I372-F376 HydrophobicContact CG1-CE2 3.79Å; I372-F376 HydrophobicContact CG1-CZ 4.41Å; I372-F376 WeakPolarHBondContact O-CD2 3.43Å; E373-F376 PolarHBondContact O-N 2.91Å; E373-F376 VanDerWaalsContact O-N 3.1Å; P374-F376 VanDerWaalsContact C-N 3.26Å; P374-F376 PolarHBondContact O-N 3.08Å; F376-W385 AromaticContact CD1-CH2 3.92Å; F376-W385 HydrophobicContact CD1-CH2 3.92Å; F376-W385 AromaticContact CD1-CZ2 3.65Å; F376-W385 HydrophobicContact CD1-CZ2 3.65Å; F376-W385 AromaticContact CE1-CH2 3.83Å; F376-W385 HydrophobicContact CE1-CH2 3.83Å; F376-W385 AromaticContact CE1-CZ2 3.99Å; F376-W385 HydrophobicContact CE1-CZ2 3.99Å; F376-H443 AromaticContact CD1-CE1 3.69Å; F376-H443 AromaticContact CD1-ND1 2.99Å; F376-H443 WeakPolarHBondContact CD1-ND1 3.36Å; F376-H443 AromaticContact CD2-CE1 3.05Å; F376-H443 WeakPolarHBondContact CD2-CE1 3.42Å; F376-H443 AromaticContact CD2-ND1 3.29Å; F376-H443 VanDerWaalsContact CD2-ND1 3.29Å; F376-H443 WeakPolarHBondContact CD2-ND1 3.43Å; F376-H443 HydrophobicContact CE1-CB 4.37Å; F376-H443 AromaticContact CE1-CE1 3.98Å; F376-H443 AromaticContact CE1-CG 3.99Å; F376-H443 AromaticContact CE1-ND1 3.19Å; F376-H443 WeakPolarHBondContact CE1-ND1 3.19Å; F376-H443 AromaticContact CE2-CE1 3.35Å; F376-H443 WeakPolarHBondContact CE2-CE1 3.33Å; F376-H443 AromaticContact CE2-ND1 3.43Å; F376-H443 WeakPolarHBondContact CE2-ND1 2.99Å; F376-H443 AromaticContact CG-CE1 3.18Å; F376-H443 WeakPolarHBondContact CG-CE1 3.3Å; F376-H443 AromaticContact CG-ND1 3Å; F376-H443 WeakPolarHBondContact CG-ND1 3Å; F376-H443 AromaticContact CZ-CE1 3.79Å; F376-H443 AromaticContact CZ-ND1 3.36Å; F376-H443 WeakPolarHBondContact CZ-ND1 3.38Å; F376-L446 HydrophobicContact CE1-CB 3.73Å; F376-L446 HydrophobicContact CE1-CD2 3.64Å; F376-L446 HydrophobicContact CE1-CG 4.2Å; F376-L446 HydrophobicContact CE2-CD2 4.24Å; F376-L446 HydrophobicContact CZ-CB 3.6Å; F376-L446 HydrophobicContact CZ-CD2 3.41Å; F376-L446 VanDerWaalsContact CZ-CD2 3.41Å; F376-L446 HydrophobicContact CZ-CG 4.1Å
377H60.1Low56.6Low126 Ų12642.5 Ų42.558%0.58322%0.223SC*.Hα-helixtrans-101.1-1.9179.4-59.5-40.6000112.9P374 I375P374-H377 PolarHBondContact O-N 2.94Å; I375-H377 PolarHBondContact O-N 3.49Å
378H54.5Low55.8Low35 Ų3542 Ų4216%0.16222%0.22CC..  trans-84.7122.6-177.3-161.8-99.1000113.2P374 I375 L380 I381 L382 L504 L507P374-H378 PolarHBondContact O-N 3.43Å; I375-H378 PolarHBondContact O-N 3.2Å; H378-L380 VanDerWaalsContact C-N 3.31Å; H378-L380 PolarHBondContact ND1-N 2.99Å; H378-L380 PolarHBondContact O-N 3.36Å; H378-I381 HydrophobicContact CB-CD1 4.33Å; H378-I381 HydrophobicContact CB-CG1 4.3Å; H378-I381 PolarHBondContact O-N 3.36Å; H378-L382 PolarHBondContact O-N 2.93Å; H378-L504 VanDerWaalsContact CE1-CD2 3.44Å; H378-L504 WeakPolarHBondContact CE1-CD2 3.42Å; H378-L507 HydrophobicContact CB-CD1 3.46Å; H378-L507 VanDerWaalsContact CB-CD1 3.46Å; H378-L507 WeakPolarHBondContact CD2-CD1 3.34Å; H378-L507 VanDerWaalsContact CG-CD1 3.4Å
379S46.9Very low55.1Low46 Ų4642.1 Ų42.132%0.32222%0.22SC..THydrogen-bonded Turntrans-55.6-34.8-175.839.50000115.2R67R67-S379 PolarHBondContact NE-OG 3.24Å; R67-S379 PolarHBondContact NH2-OG 3.02Å
380L41.9Very low54.4Low71 Ų7140.7 Ų40.737%0.37222%0.215SC..THydrogen-bonded Turntrans-73.9-26.6176.9-90.7150.3000113.2A63 H378 L504A63-L380 HydrophobicContact CB-CD2 4.07Å; H378-L380 VanDerWaalsContact C-N 3.31Å; H378-L380 PolarHBondContact ND1-N 2.99Å; H378-L380 PolarHBondContact O-N 3.36Å; L380-L504 HydrophobicContact CB-CD2 3.93Å; L380-L504 HydrophobicContact CD1-CD2 3.94Å
381I50Low53.3Low4 Ų439.6 Ų39.62%0.02120%0.204CC..THydrogen-bonded Turntrans-82.6-32-179.5-62.8-173.4000110.8I375 H378 L383 D384 W385 L388 L499 L504 L507I375-I381 HydrophobicContact CB-CD1 4.24Å; I375-I381 HydrophobicContact CG2-CD1 3.57Å; I375-I381 HydrophobicContact CG2-CG2 4Å; H378-I381 HydrophobicContact CB-CD1 4.33Å; H378-I381 HydrophobicContact CB-CG1 4.3Å; H378-I381 PolarHBondContact O-N 3.36Å; I381-L383 PolarHBondContact O-N 3.11Å; I381-D384 PolarHBondContact O-N 3.32Å; I381-W385 HydrophobicContact CG2-CD2 4.13Å; I381-W385 HydrophobicContact CG2-CE3 4.45Å; I381-W385 HydrophobicContact CG2-CH2 3.91Å; I381-W385 HydrophobicContact CG2-CZ2 3.55Å; I381-W385 HydrophobicContact CG2-CZ3 4.29Å; I381-W385 PolarHBondContact O-NE1 2.75Å; I381-L388 HydrophobicContact CB-CD1 4.49Å; I381-L388 HydrophobicContact CD1-CD1 3.71Å; I381-L388 HydrophobicContact CG1-CD1 3.88Å; I381-L388 HydrophobicContact CG2-CD1 3.97Å; I381-L388 HydrophobicContact CG2-CD2 4.16Å; I381-L499 HydrophobicContact CD1-CD2 4.11Å; I381-L504 HydrophobicContact CD1-CD1 3.77Å; I381-L504 HydrophobicContact CG1-CD1 3.66Å; I381-L507 HydrophobicContact CD1-CD2 3.71Å
382L44.1Very low52.5Low66 Ų6639.6 Ų39.635%0.34620%0.203SC..THydrogen-bonded Turntrans-52.5-27170.4-90.5159.5000113.4H378 E439 K442H378-L382 PolarHBondContact O-N 2.93Å; L382-E439 HydrophobicContact CD2-CG 4.04Å; L382-E439 WeakPolarHBondContact CD2-OE1 3.27Å; L382-K442 PolarHBondContact O-NZ 3.42Å
383L41.7Very low51.6Low67 Ų6743.1 Ų43.135%0.35122%0.222SC..THydrogen-bonded Turntrans-86.2-26.8-174.7-80.1154.5000115.1L2 M10 I381L2-L383 HydrophobicContact CD1-CD2 4.43Å; L2-L383 HydrophobicContact CD2-CD2 4.04Å; M10-L383 HydrophobicContact CE-CD2 4.42Å; I381-L383 PolarHBondContact O-N 3.11Å
384D50.6Low50.4Low80 Ų8038.2 Ų38.243%0.42820%0.2SC..  trans-147.155.6-174.7-140.5-16.5000114.3I381 P386 F387 L388I381-D384 PolarHBondContact O-N 3.32Å; D384-P386 VanDerWaalsContact C-CD 3.41Å; D384-F387 HydrophobicContact CB-CB 4.18Å; D384-F387 VanDerWaalsContact O-CB 3.3Å; D384-F387 WeakPolarHBondContact O-CB 3.24Å; D384-F387 PolarHBondContact O-N 3.05Å; D384-F387 VanDerWaalsContact O-N 3.09Å; D384-L388 PolarHBondContact O-N 3.18Å
385W51.8Low49.2Very low12 Ų1238.5 Ų38.55%0.04520%0.201CC..Hα-helixtrans-55.6-37.5175.9-93.7101.5000116.2I375 F376 I381 F387 L388 L389 K442 L446I375-W385 HydrophobicContact CG2-CH2 3.69Å; I375-W385 HydrophobicContact CG2-CZ2 4.18Å; F376-W385 AromaticContact CD1-CH2 3.92Å; F376-W385 HydrophobicContact CD1-CH2 3.92Å; F376-W385 AromaticContact CD1-CZ2 3.65Å; F376-W385 HydrophobicContact CD1-CZ2 3.65Å; F376-W385 AromaticContact CE1-CH2 3.83Å; F376-W385 HydrophobicContact CE1-CH2 3.83Å; F376-W385 AromaticContact CE1-CZ2 3.99Å; F376-W385 HydrophobicContact CE1-CZ2 3.99Å; I381-W385 HydrophobicContact CG2-CD2 4.13Å; I381-W385 HydrophobicContact CG2-CE3 4.45Å; I381-W385 HydrophobicContact CG2-CH2 3.91Å; I381-W385 HydrophobicContact CG2-CZ2 3.55Å; I381-W385 HydrophobicContact CG2-CZ3 4.29Å; I381-W385 PolarHBondContact O-NE1 2.75Å; W385-F387 PolarHBondContact O-N 3.46Å; W385-L388 HydrophobicContact CE3-CB 3.99Å; W385-L388 HydrophobicContact CE3-CD2 4.14Å; W385-L388 HydrophobicContact CH2-CD2 3.78Å; W385-L388 HydrophobicContact CZ3-CB 4.04Å; W385-L388 HydrophobicContact CZ3-CD2 3.33Å; W385-L388 HydrophobicContact CZ3-CG 4.28Å; W385-L388 PolarHBondContact O-N 3.21Å; W385-L389 HydrophobicContact CE3-CD1 4.47Å; W385-L389 HydrophobicContact CE3-CG 4.07Å; W385-L389 WeakPolarHBondContact O-CB 3.49Å; W385-L389 WeakPolarHBondContact O-CG 3.37Å; W385-L389 PolarHBondContact O-N 2.72Å; W385-K442 HydrophobicContact CB-CD 4.45Å; W385-K442 HydrophobicContact CB-CG 4.18Å; W385-K442 VanDerWaalsContact CD1-CE 3.42Å; W385-K442 HydrophobicContact CD2-CB 3.99Å; W385-K442 HydrophobicContact CD2-CD 4.46Å; W385-K442 HydrophobicContact CD2-CG 4.04Å; W385-K442 HydrophobicContact CG-CB 4.1Å; W385-K442 HydrophobicContact CG-CD 3.76Å; W385-K442 HydrophobicContact CG-CG 3.6Å; W385-K442 HydrophobicContact CZ2-CB 4.35Å; W385-L446 HydrophobicContact CE3-CD1 4.18Å; W385-L446 HydrophobicContact CH2-CD1 3.54Å; W385-L446 HydrophobicContact CH2-CD2 3.97Å; W385-L446 HydrophobicContact CH2-CG 4.29Å; W385-L446 HydrophobicContact CZ3-CD1 3.13Å; W385-L446 HydrophobicContact CZ3-CD2 4.37Å; W385-L446 HydrophobicContact CZ3-CG 4.31Å
386P46Very low48Very low53 Ų5340.2 Ų40.234%0.34421%0.214SC..Hα-helixtrans-59-35.6173.6-24.635.3000112.3D384 H390 I399D384-P386 VanDerWaalsContact C-CD 3.41Å; P386-H390 WeakPolarHBondContact O-CB 3.48Å; P386-H390 PolarHBondContact O-N 2.85Å; P386-I399 HydrophobicContact CB-CG2 4.32Å
387F46.8Very low47.1Very low57 Ų5742.4 Ų42.425%0.2523%0.226CC..Hα-helixtrans-67.9-47.2174.2-178-79.8000111.4I173 D384 W385 L389 H390 E391 L502I173-F387 HydrophobicContact CD1-CD2 4.49Å; D384-F387 HydrophobicContact CB-CB 4.18Å; D384-F387 VanDerWaalsContact O-CB 3.3Å; D384-F387 WeakPolarHBondContact O-CB 3.24Å; D384-F387 PolarHBondContact O-N 3.05Å; D384-F387 VanDerWaalsContact O-N 3.09Å; W385-F387 PolarHBondContact O-N 3.46Å; F387-L389 PolarHBondContact O-N 3.03Å; F387-H390 WeakPolarHBondContact O-CB 3.32Å; F387-H390 PolarHBondContact O-N 3.35Å; F387-H390 VanDerWaalsContact O-N 3.16Å; F387-E391 HydrophobicContact CD1-CG 4.09Å; F387-E391 HydrophobicContact CE1-CG 3.5Å; F387-E391 HydrophobicContact CZ-CG 3.9Å; F387-E391 PolarHBondContact O-N 2.92Å; F387-L502 HydrophobicContact CD1-CD1 4.14Å; F387-L502 HydrophobicContact CD1-CD2 3.49Å; F387-L502 VanDerWaalsContact CD1-CD2 3.49Å; F387-L502 HydrophobicContact CD1-CG 4.14Å; F387-L502 HydrophobicContact CE1-CD1 3.92Å; F387-L502 HydrophobicContact CE1-CD2 3.06Å; F387-L502 HydrophobicContact CE1-CG 3.53Å; F387-L502 HydrophobicContact CZ-CD2 3.9Å; F387-L502 HydrophobicContact CZ-CG 4.48Å
388L50.8Low46.2Very low6 Ų637 Ų373%0.03120%0.202CC..Hα-helixtrans-64.1-42.8-179.9-149.5107.9000112.3I375 I381 D384 W385 H390 E391 L392 L446 L499 L502I375-L388 HydrophobicContact CG2-CD2 3.78Å; I381-L388 HydrophobicContact CB-CD1 4.49Å; I381-L388 HydrophobicContact CD1-CD1 3.71Å; I381-L388 HydrophobicContact CG1-CD1 3.88Å; I381-L388 HydrophobicContact CG2-CD1 3.97Å; I381-L388 HydrophobicContact CG2-CD2 4.16Å; D384-L388 PolarHBondContact O-N 3.18Å; W385-L388 HydrophobicContact CE3-CB 3.99Å; W385-L388 HydrophobicContact CE3-CD2 4.14Å; W385-L388 HydrophobicContact CH2-CD2 3.78Å; W385-L388 HydrophobicContact CZ3-CB 4.04Å; W385-L388 HydrophobicContact CZ3-CD2 3.33Å; W385-L388 HydrophobicContact CZ3-CG 4.28Å; W385-L388 PolarHBondContact O-N 3.21Å; L388-H390 VanDerWaalsContact C-N 3.32Å; L388-E391 PolarHBondContact O-N 2.91Å; L388-L392 HydrophobicContact CD2-CD1 4.29Å; L388-L392 VanDerWaalsContact O-CG 3.31Å; L388-L392 WeakPolarHBondContact O-CG 3.48Å; L388-L392 PolarHBondContact O-N 3.19Å; L388-L446 HydrophobicContact CD2-CD1 4.43Å; L388-L499 HydrophobicContact CD1-CD2 4.42Å; L388-L502 HydrophobicContact CD1-CD1 3.42Å; L388-L502 VanDerWaalsContact CD1-CD1 3.42Å; L388-L502 HydrophobicContact CG-CD1 4.37Å
389L49.8Very low45.6Very low9 Ų935.9 Ų35.95%0.04720%0.197CC..Hα-helixtrans-62.1-42.2173.7-72166.9000110.1W385 F387 E391 L392 N393 V394 I399 L402 A445 L446 V449W385-L389 HydrophobicContact CE3-CD1 4.47Å; W385-L389 HydrophobicContact CE3-CG 4.07Å; W385-L389 WeakPolarHBondContact O-CB 3.49Å; W385-L389 WeakPolarHBondContact O-CG 3.37Å; W385-L389 PolarHBondContact O-N 2.72Å; F387-L389 PolarHBondContact O-N 3.03Å; L389-E391 PolarHBondContact O-N 3.3Å; L389-L392 CarbonylContact O-C 3.56Å; L389-L392 PolarHBondContact O-N 2.74Å; L389-N393 PolarHBondContact O-N 2.91Å; L389-V394 HydrophobicContact CB-CB 3.89Å; L389-V394 HydrophobicContact CB-CG1 4.37Å; L389-V394 HydrophobicContact CB-CG2 3.86Å; L389-V394 HydrophobicContact CD2-CG2 3.93Å; L389-V394 WeakPolarHBondContact O-CA 3.03Å; L389-V394 WeakPolarHBondContact O-CB 3.38Å; L389-V394 WeakPolarHBondContact O-CG2 3.4Å; L389-V394 PolarHBondContact O-N 3.29Å; L389-I399 HydrophobicContact CB-CD1 4.35Å; L389-I399 HydrophobicContact CB-CG1 4.34Å; L389-L402 HydrophobicContact CD1-CD1 4.42Å; L389-A445 HydrophobicContact CD1-CB 4.12Å; L389-A445 HydrophobicContact CD2-CB 3.88Å; L389-L446 HydrophobicContact CD2-CD1 3.82Å; L389-V449 HydrophobicContact CD2-CG2 4.42Å
390H48.7Very low45.3Very low29 Ų2935.5 Ų35.513%0.13419%0.191CC..Hα-helixtrans-62.5-43.4177177.2-88.7000113H171 P386 F387 L388 L392 N393 I399H171-H390 AromaticContact CD2-CE1 3.67Å; H171-H390 AromaticContact CD2-NE2 3.54Å; H171-H390 AromaticContact NE2-CE1 3.67Å; H171-H390 AromaticContact NE2-NE2 3.95Å; P386-H390 WeakPolarHBondContact O-CB 3.48Å; P386-H390 PolarHBondContact O-N 2.85Å; F387-H390 WeakPolarHBondContact O-CB 3.32Å; F387-H390 PolarHBondContact O-N 3.35Å; F387-H390 VanDerWaalsContact O-N 3.16Å; L388-H390 VanDerWaalsContact C-N 3.32Å; H390-L392 PolarHBondContact O-N 3.29Å; H390-N393 WeakPolarHBondContact O-CA 3.49Å; H390-N393 PolarHBondContact O-N 3.31Å; H390-I399 HydrophobicContact CB-CD1 4.27Å
391E48.6Very low45.3Very low31 Ų3139.1 Ų39.115%0.14520%0.201CC..Hα-helixtrans-63.8-30.1174.7-74.2-56.1135.400112.7N285 F387 L388 L389 N393 A498N285-E391 PolarHBondContact ND2-OE1 2.98Å; N285-E391 PolarHBondContact ND2-OE2 3.01Å; F387-E391 HydrophobicContact CD1-CG 4.09Å; F387-E391 HydrophobicContact CE1-CG 3.5Å; F387-E391 HydrophobicContact CZ-CG 3.9Å; F387-E391 PolarHBondContact O-N 2.92Å; L388-E391 PolarHBondContact O-N 2.91Å; L389-E391 PolarHBondContact O-N 3.3Å; E391-N393 PolarHBondContact O-N 2.83Å; E391-N393 VanDerWaalsContact O-N 3.11Å; E391-A498 HydrophobicContact CB-CB 3.84Å
392L49.5Very low44.8Very low2 Ų240.2 Ų40.21%0.0121%0.207CC..THydrogen-bonded Turntrans-75.312.8169.4-66.8171.8000113.7L388 L389 H390 V394 L446 V449 F450 L495L388-L392 HydrophobicContact CD2-CD1 4.29Å; L388-L392 VanDerWaalsContact O-CG 3.31Å; L388-L392 WeakPolarHBondContact O-CG 3.48Å; L388-L392 PolarHBondContact O-N 3.19Å; L389-L392 CarbonylContact O-C 3.56Å; L389-L392 PolarHBondContact O-N 2.74Å; H390-L392 PolarHBondContact O-N 3.29Å; L392-V394 VanDerWaalsContact C-N 3.33Å; L392-V394 HydrophobicContact CB-CG2 4.41Å; L392-L446 HydrophobicContact CD1-CD1 3.66Å; L392-L446 HydrophobicContact CD1-CG 4.18Å; L392-V449 HydrophobicContact CB-CG1 4.31Å; L392-F450 HydrophobicContact CD1-CE2 4.07Å; L392-F450 HydrophobicContact CD1-CZ 4.1Å; L392-F450 HydrophobicContact CD2-CE1 4.27Å; L392-F450 HydrophobicContact CD2-CZ 3.77Å; L392-L495 HydrophobicContact CD2-CD1 4.1Å
393N46.4Very low44.5Very low74 Ų7442.2 Ų42.240%0.39622%0.217SC..THydrogen-bonded Turntrans61.635.1-176.3-69.4-71000114.1L315 L389 H390 E391 C395L315-N393 WeakPolarHBondContact CD1-O 3.43Å; L389-N393 PolarHBondContact O-N 2.91Å; H390-N393 WeakPolarHBondContact O-CA 3.49Å; H390-N393 PolarHBondContact O-N 3.31Å; E391-N393 PolarHBondContact O-N 2.83Å; E391-N393 VanDerWaalsContact O-N 3.11Å; N393-C395 PolarHBondContact O-N 3.39Å
394V41.4Very low44.2Very low4 Ų441.3 Ų41.32%0.02421%0.214CC..  trans-74.7116.5171.9-171.70000111.1L315 L389 L392 C398 I399 V449L315-V394 HydrophobicContact CD1-CB 3.82Å; L315-V394 HydrophobicContact CD1-CG1 3.88Å; L315-V394 HydrophobicContact CD1-CG2 3.64Å; L389-V394 HydrophobicContact CB-CB 3.89Å; L389-V394 HydrophobicContact CB-CG1 4.37Å; L389-V394 HydrophobicContact CB-CG2 3.86Å; L389-V394 HydrophobicContact CD2-CG2 3.93Å; L389-V394 WeakPolarHBondContact O-CA 3.03Å; L389-V394 WeakPolarHBondContact O-CB 3.38Å; L389-V394 WeakPolarHBondContact O-CG2 3.4Å; L389-V394 PolarHBondContact O-N 3.29Å; L392-V394 VanDerWaalsContact C-N 3.33Å; L392-V394 HydrophobicContact CB-CG2 4.41Å; V394-C398 HydrophobicContact CG1-CB 3.39Å; V394-I399 HydrophobicContact CB-CD1 4.42Å; V394-I399 HydrophobicContact CB-CG1 4.11Å; V394-I399 HydrophobicContact CG1-CD1 4.44Å; V394-I399 HydrophobicContact CG1-CG1 3.62Å; V394-V449 HydrophobicContact CG2-CB 4.34Å; V394-V449 HydrophobicContact CG2-CG1 4.01Å; V394-V449 HydrophobicContact CG2-CG2 3.38Å
395C41.4Very low43.3Very low26 Ų2640 Ų4018%0.17621%0.211CC..  trans-62.1146.1179.594.20000109.5C313 N393 N397 C398 I399C313-C395 HydrophobicContact CB-CB 3.92Å; C313-C395 WeakPolarHBondContact CB-SG 3.45Å; C313-C395 WeakPolarHBondContact SG-CB 3.15Å; C313-C395 CovalentContact SG-SG 2.03Å; C313-C395 PolarHBondContact SG-SG 3.1Å; N393-C395 PolarHBondContact O-N 3.39Å; C395-N397 PolarHBondContact O-N 3.14Å; C395-N397 VanDerWaalsContact O-N 3.1Å; C395-C398 WeakPolarHBondContact O-CA 3.04Å; C395-C398 WeakPolarHBondContact O-CB 3.32Å; C395-C398 PolarHBondContact O-N 3.5Å; C395-C398 PolarHBondContact SG-N 3.33Å; C395-I399 PolarHBondContact O-N 3.28Å; C395-I399 VanDerWaalsContact O-N 3.13Å
396S39Very low42.4Very low37 Ų3743.1 Ų43.126%0.25923%0.226SC..Hα-helixtrans-55.9-31.5-178.947.90000113.3S170 I399 L400S170-S396 WeakPolarHBondContact O-CB 2.98Å; S396-I399 PolarHBondContact O-N 3.35Å; S396-L400 WeakPolarHBondContact O-CB 3.31Å; S396-L400 PolarHBondContact O-N 3.32Å
397N39.1Very low41.6Very low56 Ų5643.6 Ų43.630%0.29923%0.23SC..Hα-helixtrans-67.2-33172.5-76.9-16.9000113.8C395 Y401C395-N397 PolarHBondContact O-N 3.14Å; C395-N397 VanDerWaalsContact O-N 3.1Å; N397-Y401 VanDerWaalsContact O-CB 3.25Å; N397-Y401 WeakPolarHBondContact O-CB 3.46Å; N397-Y401 PolarHBondContact O-N 3Å
398C41.9Very low40.6Very low12 Ų1248.8 Ų48.88%0.08125%0.25CC..Hα-helixtrans-71.2-41.4174.3-83.60000110.9C313 L316 V394 C395 L400 Y401 L402C313-C398 PolarHBondContact SG-SG 3.48Å; L316-C398 WeakPolarHBondContact CD1-SG 3.34Å; V394-C398 HydrophobicContact CG1-CB 3.39Å; C395-C398 WeakPolarHBondContact O-CA 3.04Å; C395-C398 WeakPolarHBondContact O-CB 3.32Å; C395-C398 PolarHBondContact O-N 3.5Å; C395-C398 PolarHBondContact SG-N 3.33Å; C398-L400 VanDerWaalsContact C-N 3.31Å; C398-Y401 PolarHBondContact O-N 3.11Å; C398-L402 WeakPolarHBondContact O-CB 3.43Å; C398-L402 WeakPolarHBondContact O-CD1 3.44Å; C398-L402 WeakPolarHBondContact O-CG 3.36Å; C398-L402 PolarHBondContact O-N 2.99Å
399I41.9Very low39.4Very low11 Ų1152.8 Ų52.86%0.05628%0.278CS..Hα-helixtrans-61.2-45.1173.3-57179.2000109.3P386 L389 H390 V394 C395 S396 L402 L403P386-I399 HydrophobicContact CB-CG2 4.32Å; L389-I399 HydrophobicContact CB-CD1 4.35Å; L389-I399 HydrophobicContact CB-CG1 4.34Å; H390-I399 HydrophobicContact CB-CD1 4.27Å; V394-I399 HydrophobicContact CB-CD1 4.42Å; V394-I399 HydrophobicContact CB-CG1 4.11Å; V394-I399 HydrophobicContact CG1-CD1 4.44Å; V394-I399 HydrophobicContact CG1-CG1 3.62Å; C395-I399 PolarHBondContact O-N 3.28Å; C395-I399 VanDerWaalsContact O-N 3.13Å; S396-I399 PolarHBondContact O-N 3.35Å; I399-L402 PolarHBondContact O-N 3.37Å; I399-L403 HydrophobicContact CG2-CD1 3.97Å; I399-L403 VanDerWaalsContact O-CG 3.25Å; I399-L403 WeakPolarHBondContact O-CG 3.44Å; I399-L403 PolarHBondContact O-N 3.15Å
400L40.1Very low38.3Very low38 Ų3861.7 Ų61.720%0.19932%0.32CS..Hα-helixtrans-62.4-45.1176.1-133.586.9000111.9L215 F218 S396 C398 L402 L403 T404L215-L400 HydrophobicContact CD1-CD2 3.63Å; L215-L400 HydrophobicContact CD1-CG 4.11Å; F218-L400 HydrophobicContact CD1-CD1 3.98Å; F218-L400 HydrophobicContact CE1-CD1 3.93Å; S396-L400 WeakPolarHBondContact O-CB 3.31Å; S396-L400 PolarHBondContact O-N 3.32Å; C398-L400 VanDerWaalsContact C-N 3.31Å; L400-L402 VanDerWaalsContact C-N 3.31Å; L400-L402 PolarHBondContact O-N 3.38Å; L400-L403 CarbonylContact O-C 3.56Å; L400-L403 PolarHBondContact O-N 2.9Å; L400-L403 VanDerWaalsContact O-N 3.15Å; L400-T404 WeakPolarHBondContact O-CB 3.26Å; L400-T404 WeakPolarHBondContact O-CG2 3.38Å; L400-T404 PolarHBondContact O-N 3.18Å; L400-T404 PolarHBondContact O-OG1 2.82Å
401Y41.4Very low37.2Very low147 Ų14765.5 Ų65.558%0.57635%0.349SS*.Hα-helixtrans-58.9-44.8179.2-171.5-97000110.9N397 C398 T404 C405N397-Y401 VanDerWaalsContact O-CB 3.25Å; N397-Y401 WeakPolarHBondContact O-CB 3.46Å; N397-Y401 PolarHBondContact O-N 3Å; C398-Y401 PolarHBondContact O-N 3.11Å; Y401-T404 VanDerWaalsContact CA-OG1 3.3Å; Y401-T404 WeakPolarHBondContact CA-OG1 3.31Å; Y401-T404 PolarHBondContact O-N 3.45Å; Y401-T404 PolarHBondContact O-OG1 3Å; Y401-C405 VanDerWaalsContact CE1-SG 3.55Å; Y401-C405 PolarHBondContact O-N 3.25Å; Y401-C405 PolarHBondContact O-SG 3.49Å
402L39.7Very low36Very low28 Ų2870.5 Ų70.515%0.14738%0.375CS..Hα-helixtrans-62.3-41.6174.7-77.1159000112.7L389 C398 I399 L400 I441 A445L389-L402 HydrophobicContact CD1-CD1 4.42Å; C398-L402 WeakPolarHBondContact O-CB 3.43Å; C398-L402 WeakPolarHBondContact O-CD1 3.44Å; C398-L402 WeakPolarHBondContact O-CG 3.36Å; C398-L402 PolarHBondContact O-N 2.99Å; I399-L402 PolarHBondContact O-N 3.37Å; L400-L402 VanDerWaalsContact C-N 3.31Å; L400-L402 PolarHBondContact O-N 3.38Å; L402-I441 HydrophobicContact CD2-CG2 4.23Å; L402-A445 HydrophobicContact CD1-CB 3.33Å; L402-A445 HydrophobicContact CD2-CB 3.7Å; L402-A445 HydrophobicContact CG-CB 4.14Å
403L38.9Very low34.8Very low108 Ų10879 Ų7957%0.56542%0.42SS*.Hα-helixtrans-67.6-34.9175-70.1167000112I399 L400 H406I399-L403 HydrophobicContact CG2-CD1 3.97Å; I399-L403 VanDerWaalsContact O-CG 3.25Å; I399-L403 WeakPolarHBondContact O-CG 3.44Å; I399-L403 PolarHBondContact O-N 3.15Å; L400-L403 CarbonylContact O-C 3.56Å; L400-L403 PolarHBondContact O-N 2.9Å; L400-L403 VanDerWaalsContact O-N 3.15Å; L403-H406 WeakPolarHBondContact O-CB 3.37Å
404T34.5Very low33.7Very low47 Ų4780.7 Ų80.729%0.28844%0.437SS..Hα-helixtrans-81.2-26.3179.553.80000113.9L215 L400 Y401 H406 S407L215-T404 HydrophobicContact CD1-CG2 4.38Å; L400-T404 WeakPolarHBondContact O-CB 3.26Å; L400-T404 WeakPolarHBondContact O-CG2 3.38Å; L400-T404 PolarHBondContact O-N 3.18Å; L400-T404 PolarHBondContact O-OG1 2.82Å; Y401-T404 VanDerWaalsContact CA-OG1 3.3Å; Y401-T404 WeakPolarHBondContact CA-OG1 3.31Å; Y401-T404 PolarHBondContact O-N 3.45Å; Y401-T404 PolarHBondContact O-OG1 3Å; T404-H406 PolarHBondContact O-N 3.49Å; T404-H406 VanDerWaalsContact O-N 3.08Å; T404-S407 PolarHBondContact O-N 3.37Å; T404-S407 PolarHBondContact O-OG 2.83Å
405C31.9Very low32.8Very low53 Ų5386.9 Ų86.936%0.35848%0.475SS..G310 helixtrans-58.6-20.9173.5-820000112.7Y401 S407 Y408Y401-C405 VanDerWaalsContact CE1-SG 3.55Å; Y401-C405 PolarHBondContact O-N 3.25Å; Y401-C405 PolarHBondContact O-SG 3.49Å; C405-S407 PolarHBondContact O-N 3.37Å; C405-Y408 PolarHBondContact O-N 3.4Å
406H32.7Very low32Very low77 Ų7794.8 Ų94.836%0.35651%0.507SS..G310 helixtrans-59.4-29.8170.5-128.9-50.3000112.9L403 T404 D438L403-H406 WeakPolarHBondContact O-CB 3.37Å; T404-H406 PolarHBondContact O-N 3.49Å; T404-H406 VanDerWaalsContact O-N 3.08Å; H406-D438 IonicContact CD2-OD1 3.71Å; H406-D438 IonicContact CE1-OD1 2.91Å; H406-D438 IonicContact NE2-OD1 2.74Å; H406-D438 PolarHBondContact NE2-OD1 3.34Å
407S28.4Very low31.3Very low63 Ų63100.4 Ų100.444%0.44153%0.534SS..G310 helixtrans-89.5-12.3-175.362.10000115T404 C405T404-S407 PolarHBondContact O-N 3.37Å; T404-S407 PolarHBondContact O-OG 2.83Å; C405-S407 PolarHBondContact O-N 3.37Å
408Y26.9Very low30.6Very low166 Ų166102.6 Ų102.665%0.65155%0.554SS**THydrogen-bonded Turntrans-114.6-3.4-172.1-113-89.4000115.9C405 Q410 L412C405-Y408 PolarHBondContact O-N 3.4Å; Y408-Q410 VanDerWaalsContact C-N 3.34Å; Y408-Q410 PolarHBondContact O-N 3.05Å; Y408-L412 HydrophobicContact CE1-CD1 4.49Å
409S26.2Very low29.7Very low91 Ų91109.4 Ų109.464%0.63659%0.589SS**THydrogen-bonded Turntrans-81.6-2.1-173.675.50000115.8
410Q26.5Very low28.8Very low195 Ų195114 Ų11491%0.91162%0.622SS**THydrogen-bonded Turntrans-104.7-1.5179.1-106175.4-5.900116.4Y408Y408-Q410 VanDerWaalsContact C-N 3.34Å; Y408-Q410 PolarHBondContact O-N 3.05Å
411C25.3Very low28.1Very low110 Ų110120.5 Ų120.574%0.74366%0.655SS**SBendtrans-118.62.7-174.1-1510000115.9
412L23.4Very low27.2Very low135 Ų135120.1 Ų120.171%0.70766%0.663SS**SBendtrans-135.656.2-169.6-127.8133.4000113.3Y408Y408-L412 HydrophobicContact CE1-CD1 4.49Å
413L24.7Very low26.4Very low181 Ų181125.6 Ų125.695%0.94869%0.691SS**SBendtrans-165.652.3156.8-101.5147.9000111.1
414S22.5Very low25.6Very low109 Ų109125.7 Ų125.776%0.76270%0.697SS**  trans-144.148162.779.60000112.5
415T23.3Very low25.1Very low134 Ų134132.1 Ų132.182%0.82272%0.724SS**  trans-143.976.1164.445.90000110.5
416K23.5Very low24.6Very low193 Ų193134.9 Ų134.984%0.83974%0.743SS**SBendtrans-172.7108.9140.8-102.4159.2-173-1770110.9
417N24.9Very low24.3Very low154 Ų154138.5 Ų138.582%0.82477%0.765SS**  trans66.7130.1159.8-56.3-12.8000115.6
418S23.9Very low24.1Very low103 Ų103142.9 Ų142.972%0.7278%0.784SS**  cis-176.8140.98.734.90000106.6
419N23.1Very low24Very low154 Ų154138.8 Ų138.882%0.82478%0.778SS**  trans56.4118.8161.4-66.2-11000120.1
420S23.4Very low24.1Very low107 Ų107141.4 Ų141.475%0.74879%0.785SS**  trans53.4110.9147.261.20000118.2
421I25.4Very low24.2Very low175 Ų175136.1 Ų136.190%0.89777%0.77SS**  -160141.6113.7-88.3142.6000108.5
422L22.3Very low24.2Very low139 Ų139138.5 Ų138.573%0.72877%0.768SS**  trans-98.3157.4-170.1-133.9148.8000108.1
423L22.9Very low24.4Very low143 Ų143139.3 Ų139.375%0.74976%0.763SS**  trans81.5144.8158.6-50.8160.8000116.5
424T21.6Very low24.7Very low110 Ų110136.2 Ų136.268%0.67574%0.743SS**  cis-175.4150.7-920.30000105.5
425E24.1Very low25Very low183 Ų183135.5 Ų135.586%0.85573%0.731SS**  trans25.8121.9151.2-65.3177.4155.900120.5
426S22.7Very low25.4Very low110 Ų110133.5 Ų133.577%0.76972%0.715SS**  -172.5122.711637.30000112.8
427N24.5Very low26Very low153 Ų153127.9 Ų127.982%0.81869%0.691SS**  trans-6.6142.8150.6-58.8-29000118.3
428N24.9Very low26.8Very low155 Ų155123.5 Ų123.583%0.82967%0.668SS**  trans87.426.2160.9-68.8-10.1000121
429C25.7Very low27.7Very low80 Ų80122.4 Ų122.454%0.54165%0.651SS.*  trans-101.26.4174.7-73.10000116.5
430N28.1Very low28.7Very low146 Ų146119.2 Ų119.278%0.78163%0.634SS**THydrogen-bonded Turntrans-84.1-15.8-173.4-76.1-2.7000115.5
431S28Very low29.6Very low85 Ų85116.1 Ų116.159%0.59461%0.609SS**THydrogen-bonded Turntrans-95-24.2-177.1600000114.8
432F26.3Very low30.8Very low160 Ų160109.8 Ų109.870%0.70258%0.575SS**Hα-helixtrans-86.3-30.9-178.8-108.3-87000113.5I436F432-I436 HydrophobicContact CD1-CD1 4.39Å
433Y27.4Very low32.1Very low151 Ų151105.9 Ų105.959%0.59255%0.553SS**Hα-helixtrans-72.1-29.2-178.7-89.1-84.7000113.4Q437Y433-Q437 VanDerWaalsContact O-CB 3.23Å; Y433-Q437 WeakPolarHBondContact O-CB 3.42Å; Y433-Q437 WeakPolarHBondContact O-CG 3.45Å; Y433-Q437 PolarHBondContact O-N 2.87Å
434Q30.3Very low33.1Very low116 Ų116103.4 Ų103.454%0.54254%0.539SS..Hα-helixtrans-70.8-39.2179.2-84.1175.8-25.700113.4D438Q434-D438 PolarHBondContact O-N 3.15Å
435N29.2Very low34.4Very low95 Ų9598.2 Ų98.251%0.50851%0.508SS..Hα-helixtrans-70.5-39.2179.2-79.3-10.3000112.3M1 E439M1-N435 PolarHBondContact N-OD1 3.28Å; N435-E439 PolarHBondContact O-N 3.49Å
436I32.2Very low35.7Very low92 Ų9289.5 Ų89.547%0.47247%0.467SS..Hα-helixtrans-71.6-35.7178.5-64.8168.1000110.8F432 N440F432-I436 HydrophobicContact CD1-CD1 4.39Å; I436-N440 VanDerWaalsContact O-CB 3.24Å; I436-N440 WeakPolarHBondContact O-CB 3.43Å; I436-N440 VanDerWaalsContact O-CG 3.27Å; I436-N440 PolarHBondContact O-N 2.67Å; I436-N440 PolarHBondContact O-ND2 2.98Å
437Q34.7Very low37Very low74 Ų7485.2 Ų85.235%0.34644%0.436SS..Hα-helixtrans-71.6-40.1177.8-76.3177.8-13.700112.1Y433 N440 I441Y433-Q437 VanDerWaalsContact O-CB 3.23Å; Y433-Q437 WeakPolarHBondContact O-CB 3.42Å; Y433-Q437 WeakPolarHBondContact O-CG 3.45Å; Y433-Q437 PolarHBondContact O-N 2.87Å; Q437-N440 PolarHBondContact O-N 2.88Å; Q437-I441 VanDerWaalsContact O-CB 3.32Å; Q437-I441 WeakPolarHBondContact O-CB 3.46Å; Q437-I441 VanDerWaalsContact O-CD1 3.29Å; Q437-I441 WeakPolarHBondContact O-CD1 3.18Å; Q437-I441 WeakPolarHBondContact O-CG1 3.05Å; Q437-I441 PolarHBondContact O-N 3.44Å
438D41.4Very low38.1Very low62 Ų6281.8 Ų81.833%0.33242%0.417SS..Hα-helixtrans-62.7-47.9175.1-96.57.5000111.5H406 Q434 N440 I441 K442H406-D438 IonicContact CD2-OD1 3.71Å; H406-D438 IonicContact CE1-OD1 2.91Å; H406-D438 IonicContact NE2-OD1 2.74Å; H406-D438 PolarHBondContact NE2-OD1 3.34Å; Q434-D438 PolarHBondContact O-N 3.15Å; D438-N440 PolarHBondContact O-N 2.98Å; D438-I441 PolarHBondContact O-N 2.61Å; D438-K442 HydrophobicContact CB-CD 4.49Å; D438-K442 VanDerWaalsContact O-CB 3.3Å; D438-K442 WeakPolarHBondContact O-CB 3.33Å; D438-K442 WeakPolarHBondContact O-CD 3.29Å; D438-K442 WeakPolarHBondContact O-CG 3.35Å; D438-K442 PolarHBondContact O-N 2.89Å
439E43.5Very low39.3Very low81 Ų8174.7 Ų74.738%0.37938%0.379SS..Hα-helixtrans-60.6-44.9175.3-84.1-156.5171.400111.9L382 N435 I441 K442 H443L382-E439 HydrophobicContact CD2-CG 4.04Å; L382-E439 WeakPolarHBondContact CD2-OE1 3.27Å; N435-E439 PolarHBondContact O-N 3.49Å; E439-I441 PolarHBondContact O-N 2.9Å; E439-K442 PolarHBondContact O-N 3Å; E439-H443 WeakPolarHBondContact O-CB 3.1Å; E439-H443 PolarHBondContact O-N 3.44Å
440N44.2Very low40.7Very low86 Ų8670.9 Ų70.946%0.4635%0.353SS..Hα-helixtrans-62.4-40177.3-81.9-29.7000112.6I436 Q437 D438 H443 I444I436-N440 VanDerWaalsContact O-CB 3.24Å; I436-N440 WeakPolarHBondContact O-CB 3.43Å; I436-N440 VanDerWaalsContact O-CG 3.27Å; I436-N440 PolarHBondContact O-N 2.67Å; I436-N440 PolarHBondContact O-ND2 2.98Å; Q437-N440 PolarHBondContact O-N 2.88Å; D438-N440 PolarHBondContact O-N 2.98Å; N440-H443 WeakPolarHBondContact O-CB 3.17Å; N440-H443 PolarHBondContact O-N 2.73Å; N440-I444 WeakPolarHBondContact O-CB 3.5Å; N440-I444 VanDerWaalsContact O-CD1 3.32Å; N440-I444 WeakPolarHBondContact O-CD1 3.18Å; N440-I444 WeakPolarHBondContact O-CG1 3.14Å; N440-I444 PolarHBondContact O-N 2.95Å
441I41.9Very low41.9Very low42 Ų4265.3 Ų65.322%0.21533%0.325CS..Hα-helixtrans-66.6-42.8177.3-69.3161.9000110.2L402 Q437 D438 E439 H443 I444 A445L402-I441 HydrophobicContact CD2-CG2 4.23Å; Q437-I441 VanDerWaalsContact O-CB 3.32Å; Q437-I441 WeakPolarHBondContact O-CB 3.46Å; Q437-I441 VanDerWaalsContact O-CD1 3.29Å; Q437-I441 WeakPolarHBondContact O-CD1 3.18Å; Q437-I441 WeakPolarHBondContact O-CG1 3.05Å; Q437-I441 PolarHBondContact O-N 3.44Å; D438-I441 PolarHBondContact O-N 2.61Å; E439-I441 PolarHBondContact O-N 2.9Å; I441-H443 VanDerWaalsContact C-N 3.33Å; I441-I444 PolarHBondContact O-N 3.44Å; I441-A445 WeakPolarHBondContact O-CB 3.37Å; I441-A445 PolarHBondContact O-N 3.34Å
442K50Low42.8Very low43 Ų4362.4 Ų62.419%0.18730%0.304CS..Hα-helixtrans-62.5-40.6174.9-70.1158.8172.3-176.80111.3L382 W385 D438 E439 A445 L446L382-K442 PolarHBondContact O-NZ 3.42Å; W385-K442 HydrophobicContact CB-CD 4.45Å; W385-K442 HydrophobicContact CB-CG 4.18Å; W385-K442 VanDerWaalsContact CD1-CE 3.42Å; W385-K442 HydrophobicContact CD2-CB 3.99Å; W385-K442 HydrophobicContact CD2-CD 4.46Å; W385-K442 HydrophobicContact CD2-CG 4.04Å; W385-K442 HydrophobicContact CG-CB 4.1Å; W385-K442 HydrophobicContact CG-CD 3.76Å; W385-K442 HydrophobicContact CG-CG 3.6Å; W385-K442 HydrophobicContact CZ2-CB 4.35Å; D438-K442 HydrophobicContact CB-CD 4.49Å; D438-K442 VanDerWaalsContact O-CB 3.3Å; D438-K442 WeakPolarHBondContact O-CB 3.33Å; D438-K442 WeakPolarHBondContact O-CD 3.29Å; D438-K442 WeakPolarHBondContact O-CG 3.35Å; D438-K442 PolarHBondContact O-N 2.89Å; E439-K442 PolarHBondContact O-N 3Å; K442-A445 WeakPolarHBondContact O-CB 3.5Å; K442-L446 PolarHBondContact O-N 2.84Å
443H49.9Very low44.1Very low56 Ų5656.3 Ų56.326%0.25928%0.279SS..Hα-helixtrans-60.9-54.3172.4-133.555.6000110.7F369 F376 E439 N440 I441 A445 L446 V447F369-H443 AromaticContact CE1-CD2 3.79Å; F369-H443 AromaticContact CE1-NE2 3.53Å; F376-H443 AromaticContact CD1-CE1 3.69Å; F376-H443 AromaticContact CD1-ND1 2.99Å; F376-H443 WeakPolarHBondContact CD1-ND1 3.36Å; F376-H443 AromaticContact CD2-CE1 3.05Å; F376-H443 WeakPolarHBondContact CD2-CE1 3.42Å; F376-H443 AromaticContact CD2-ND1 3.29Å; F376-H443 VanDerWaalsContact CD2-ND1 3.29Å; F376-H443 WeakPolarHBondContact CD2-ND1 3.43Å; F376-H443 HydrophobicContact CE1-CB 4.37Å; F376-H443 AromaticContact CE1-CE1 3.98Å; F376-H443 AromaticContact CE1-CG 3.99Å; F376-H443 AromaticContact CE1-ND1 3.19Å; F376-H443 WeakPolarHBondContact CE1-ND1 3.19Å; F376-H443 AromaticContact CE2-CE1 3.35Å; F376-H443 WeakPolarHBondContact CE2-CE1 3.33Å; F376-H443 AromaticContact CE2-ND1 3.43Å; F376-H443 WeakPolarHBondContact CE2-ND1 2.99Å; F376-H443 AromaticContact CG-CE1 3.18Å; F376-H443 WeakPolarHBondContact CG-CE1 3.3Å; F376-H443 AromaticContact CG-ND1 3Å; F376-H443 WeakPolarHBondContact CG-ND1 3Å; F376-H443 AromaticContact CZ-CE1 3.79Å; F376-H443 AromaticContact CZ-ND1 3.36Å; F376-H443 WeakPolarHBondContact CZ-ND1 3.38Å; E439-H443 WeakPolarHBondContact O-CB 3.1Å; E439-H443 PolarHBondContact O-N 3.44Å; N440-H443 WeakPolarHBondContact O-CB 3.17Å; N440-H443 PolarHBondContact O-N 2.73Å; I441-H443 VanDerWaalsContact C-N 3.33Å; H443-A445 VanDerWaalsContact C-N 3.27Å; H443-A445 PolarHBondContact O-N 3.47Å; H443-L446 PolarHBondContact O-N 2.98Å; H443-V447 WeakPolarHBondContact O-CG2 3.42Å; H443-V447 PolarHBondContact O-N 3.17Å
444I45.5Very low45.5Very low91 Ų9149.2 Ų49.247%0.46725%0.251SS..Hα-helixtrans-59.2-38.2-179.5-69.8162000111.4N440 I441 V447 I448N440-I444 WeakPolarHBondContact O-CB 3.5Å; N440-I444 VanDerWaalsContact O-CD1 3.32Å; N440-I444 WeakPolarHBondContact O-CD1 3.18Å; N440-I444 WeakPolarHBondContact O-CG1 3.14Å; N440-I444 PolarHBondContact O-N 2.95Å; I441-I444 PolarHBondContact O-N 3.44Å; I444-V447 WeakPolarHBondContact O-CB 3.49Å; I444-V447 PolarHBondContact O-N 3.48Å; I444-I448 HydrophobicContact CG2-CD1 3.69Å; I444-I448 HydrophobicContact CG2-CG1 4.31Å; I444-I448 VanDerWaalsContact O-CG1 3.27Å; I444-I448 WeakPolarHBondContact O-CG1 3.39Å; I444-I448 PolarHBondContact O-N 3.14Å
445A47.1Very low46.6Very low2 Ų244.8 Ų44.82%0.01723%0.23CC..Hα-helixtrans-58.3-53.3175.700000111.9L389 L402 I441 K442 H443 V447 I448 V449L389-A445 HydrophobicContact CD1-CB 4.12Å; L389-A445 HydrophobicContact CD2-CB 3.88Å; L402-A445 HydrophobicContact CD1-CB 3.33Å; L402-A445 HydrophobicContact CD2-CB 3.7Å; L402-A445 HydrophobicContact CG-CB 4.14Å; I441-A445 WeakPolarHBondContact O-CB 3.37Å; I441-A445 PolarHBondContact O-N 3.34Å; K442-A445 WeakPolarHBondContact O-CB 3.5Å; H443-A445 VanDerWaalsContact C-N 3.27Å; H443-A445 PolarHBondContact O-N 3.47Å; A445-V447 PolarHBondContact O-N 2.83Å; A445-I448 PolarHBondContact O-N 3.13Å; A445-V449 WeakPolarHBondContact O-CB 3.36Å; A445-V449 WeakPolarHBondContact O-CG2 3.44Å; A445-V449 PolarHBondContact O-N 2.93Å
446L51.8Low47.6Very low0 Ų043.6 Ų43.60%022%0.224CC..Hα-helixtrans-61.1-39.3178-127.373.7000111.9I372 I375 F376 W385 L388 L389 L392 K442 H443 V449 F450I372-L446 HydrophobicContact CD1-CD2 3.96Å; I375-L446 HydrophobicContact CD1-CD2 4.36Å; I375-L446 HydrophobicContact CG2-CD2 4.29Å; F376-L446 HydrophobicContact CE1-CB 3.73Å; F376-L446 HydrophobicContact CE1-CD2 3.64Å; F376-L446 HydrophobicContact CE1-CG 4.2Å; F376-L446 HydrophobicContact CE2-CD2 4.24Å; F376-L446 HydrophobicContact CZ-CB 3.6Å; F376-L446 HydrophobicContact CZ-CD2 3.41Å; F376-L446 VanDerWaalsContact CZ-CD2 3.41Å; F376-L446 HydrophobicContact CZ-CG 4.1Å; W385-L446 HydrophobicContact CE3-CD1 4.18Å; W385-L446 HydrophobicContact CH2-CD1 3.54Å; W385-L446 HydrophobicContact CH2-CD2 3.97Å; W385-L446 HydrophobicContact CH2-CG 4.29Å; W385-L446 HydrophobicContact CZ3-CD1 3.13Å; W385-L446 HydrophobicContact CZ3-CD2 4.37Å; W385-L446 HydrophobicContact CZ3-CG 4.31Å; L388-L446 HydrophobicContact CD2-CD1 4.43Å; L389-L446 HydrophobicContact CD2-CD1 3.82Å; L392-L446 HydrophobicContact CD1-CD1 3.66Å; L392-L446 HydrophobicContact CD1-CG 4.18Å; K442-L446 PolarHBondContact O-N 2.84Å; H443-L446 PolarHBondContact O-N 2.98Å; L446-V449 PolarHBondContact O-N 3.48Å; L446-F450 HydrophobicContact CB-CD2 4.32Å; L446-F450 HydrophobicContact CD2-CD2 4.01Å; L446-F450 HydrophobicContact CD2-CE2 3.55Å; L446-F450 HydrophobicContact CG-CD2 3.75Å; L446-F450 HydrophobicContact CG-CE2 3.6Å; L446-F450 WeakPolarHBondContact O-CB 3.35Å; L446-F450 VanDerWaalsContact O-CD2 3.3Å; L446-F450 WeakPolarHBondContact O-CD2 3.4Å; L446-F450 PolarHBondContact O-N 3.42Å
447V51.4Low48.5Very low19 Ų1941.1 Ų41.112%0.11521%0.213CC..Hα-helixtrans-60.4-50.1178.6173.80000111K365 F369 H443 I444 A445 V449 C451K365-V447 VanDerWaalsContact CE-CG1 3.48Å; F369-V447 HydrophobicContact CD2-CG2 4.31Å; F369-V447 HydrophobicContact CE1-CG2 3.68Å; F369-V447 HydrophobicContact CE2-CB 4.3Å; F369-V447 HydrophobicContact CE2-CG1 4.02Å; F369-V447 HydrophobicContact CE2-CG2 3.27Å; F369-V447 HydrophobicContact CZ-CB 4.28Å; F369-V447 HydrophobicContact CZ-CG1 4.43Å; F369-V447 HydrophobicContact CZ-CG2 2.93Å; H443-V447 WeakPolarHBondContact O-CG2 3.42Å; H443-V447 PolarHBondContact O-N 3.17Å; I444-V447 WeakPolarHBondContact O-CB 3.49Å; I444-V447 PolarHBondContact O-N 3.48Å; A445-V447 PolarHBondContact O-N 2.83Å; V447-V449 VanDerWaalsContact C-N 3.28Å; V447-V449 PolarHBondContact O-N 2.97Å; V447-C451 WeakPolarHBondContact O-CB 3.12Å; V447-C451 PolarHBondContact O-N 3.21Å; V447-C451 PolarHBondContact O-SG 3.43Å
448I45.9Very low49.4Very low82 Ų8237.7 Ų37.742%0.42120%0.197SC..Hα-helixtrans-60-45.6179-69.2166.5000109.2I444 A445 C451 T452I444-I448 HydrophobicContact CG2-CD1 3.69Å; I444-I448 HydrophobicContact CG2-CG1 4.31Å; I444-I448 VanDerWaalsContact O-CG1 3.27Å; I444-I448 WeakPolarHBondContact O-CG1 3.39Å; I444-I448 PolarHBondContact O-N 3.14Å; A445-I448 PolarHBondContact O-N 3.13Å; I448-C451 PolarHBondContact O-N 3.32Å; I448-T452 WeakPolarHBondContact O-CB 3.45Å; I448-T452 PolarHBondContact O-N 3Å; I448-T452 PolarHBondContact O-OG1 3.42Å
449V51.9Low50Low5 Ų541 Ų413%0.0321%0.206CC..Hα-helixtrans-60.8-54.5-178.5169.40000111.9L315 L389 L392 V394 A445 L446 V447 C451 T452 I453L315-V449 HydrophobicContact CD1-CG2 4.16Å; L315-V449 HydrophobicContact CD2-CB 4Å; L315-V449 HydrophobicContact CD2-CG1 3.96Å; L315-V449 HydrophobicContact CD2-CG2 3.85Å; L389-V449 HydrophobicContact CD2-CG2 4.42Å; L392-V449 HydrophobicContact CB-CG1 4.31Å; V394-V449 HydrophobicContact CG2-CB 4.34Å; V394-V449 HydrophobicContact CG2-CG1 4.01Å; V394-V449 HydrophobicContact CG2-CG2 3.38Å; A445-V449 WeakPolarHBondContact O-CB 3.36Å; A445-V449 WeakPolarHBondContact O-CG2 3.44Å; A445-V449 PolarHBondContact O-N 2.93Å; L446-V449 PolarHBondContact O-N 3.48Å; V447-V449 VanDerWaalsContact C-N 3.28Å; V447-V449 PolarHBondContact O-N 2.97Å; V449-C451 PolarHBondContact O-N 2.81Å; V449-T452 PolarHBondContact O-N 2.99Å; V449-I453 HydrophobicContact CG1-CD1 3.99Å; V449-I453 WeakPolarHBondContact O-CG1 3.32Å; V449-I453 PolarHBondContact O-N 3.43Å
450F55Low50.3Low1 Ų143.3 Ų43.30%0.00422%0.216CC..Hα-helixtrans-68.6-35.7-178.9-79.2-63.5000112.5L368 I372 L392 L446 T452 I453 L454 I490 L495L368-F450 HydrophobicContact CD1-CB 3.89Å; L368-F450 HydrophobicContact CD1-CD1 3.89Å; L368-F450 HydrophobicContact CD1-CG 4.12Å; L368-F450 HydrophobicContact CD2-CB 3.25Å; L368-F450 HydrophobicContact CD2-CD1 4Å; L368-F450 HydrophobicContact CD2-CD2 3.81Å; L368-F450 HydrophobicContact CD2-CG 3.45Å; L368-F450 VanDerWaalsContact CD2-CG 3.45Å; L368-F450 HydrophobicContact CG-CB 4.2Å; L368-F450 HydrophobicContact CG-CD1 4.45Å; L368-F450 HydrophobicContact CG-CG 4.35Å; I372-F450 HydrophobicContact CD1-CD2 3.8Å; I372-F450 HydrophobicContact CD1-CE2 4.1Å; I372-F450 HydrophobicContact CG2-CE2 4.1Å; I372-F450 HydrophobicContact CG2-CZ 4.35Å; L392-F450 HydrophobicContact CD1-CE2 4.07Å; L392-F450 HydrophobicContact CD1-CZ 4.1Å; L392-F450 HydrophobicContact CD2-CE1 4.27Å; L392-F450 HydrophobicContact CD2-CZ 3.77Å; L446-F450 HydrophobicContact CB-CD2 4.32Å; L446-F450 HydrophobicContact CD2-CD2 4.01Å; L446-F450 HydrophobicContact CD2-CE2 3.55Å; L446-F450 HydrophobicContact CG-CD2 3.75Å; L446-F450 HydrophobicContact CG-CE2 3.6Å; L446-F450 WeakPolarHBondContact O-CB 3.35Å; L446-F450 VanDerWaalsContact O-CD2 3.3Å; L446-F450 WeakPolarHBondContact O-CD2 3.4Å; L446-F450 PolarHBondContact O-N 3.42Å; F450-T452 VanDerWaalsContact C-N 3.28Å; F450-T452 PolarHBondContact O-N 3.04Å; F450-I453 PolarHBondContact O-N 3.01Å; F450-L454 WeakPolarHBondContact O-CB 3.41Å; F450-L454 PolarHBondContact O-N 2.85Å; F450-I490 HydrophobicContact CD1-CG2 3.52Å; F450-I490 HydrophobicContact CE1-CG2 3.6Å; F450-L495 HydrophobicContact CE1-CB 4.38Å; F450-L495 HydrophobicContact CZ-CB 4.08Å; F450-L495 HydrophobicContact CZ-CD1 3.91Å; F450-L495 HydrophobicContact CZ-CD2 4.15Å; F450-L495 HydrophobicContact CZ-CG 4.26Å
451C51.7Low50.8Low28 Ų2842.9 Ų42.919%0.18921%0.211CC..Hα-helixtrans-62.1-38.1172.5-700000111.4K365 V447 I448 V449 Q455K365-C451 VanDerWaalsContact CD-SG 3.57Å; V447-C451 WeakPolarHBondContact O-CB 3.12Å; V447-C451 PolarHBondContact O-N 3.21Å; V447-C451 PolarHBondContact O-SG 3.43Å; I448-C451 PolarHBondContact O-N 3.32Å; V449-C451 PolarHBondContact O-N 2.81Å; C451-Q455 WeakPolarHBondContact O-CB 3.39Å; C451-Q455 PolarHBondContact O-N 2.85Å
452T48.3Very low51.3Low25 Ų2542.6 Ų42.615%0.15321%0.209CC..Hα-helixtrans-72-42.6-179.9-49.80000111.6L315 I448 V449 F450 Q455 N456L315-T452 HydrophobicContact CD2-CG2 4.38Å; I448-T452 WeakPolarHBondContact O-CB 3.45Å; I448-T452 PolarHBondContact O-N 3Å; I448-T452 PolarHBondContact O-OG1 3.42Å; V449-T452 PolarHBondContact O-N 2.99Å; F450-T452 VanDerWaalsContact C-N 3.28Å; F450-T452 PolarHBondContact O-N 3.04Å; T452-Q455 PolarHBondContact O-N 3.39Å; T452-N456 PolarHBondContact O-N 2.99Å; T452-N456 PolarHBondContact O-ND2 2.82Å
453I53.8Low51.2Low32 Ų3244.6 Ų44.616%0.16422%0.221CC..Hα-helixtrans-63.1-50.5174.4-64.6170.5000109.4V449 F450 Q455 N456 T457 I490V449-I453 HydrophobicContact CG1-CD1 3.99Å; V449-I453 WeakPolarHBondContact O-CG1 3.32Å; V449-I453 PolarHBondContact O-N 3.43Å; F450-I453 PolarHBondContact O-N 3.01Å; I453-Q455 PolarHBondContact O-N 3.45Å; I453-N456 PolarHBondContact O-N 3.3Å; I453-N456 VanDerWaalsContact O-N 3.12Å; I453-T457 PolarHBondContact O-N 2.71Å; I453-T457 PolarHBondContact O-OG1 3.45Å; I453-I490 HydrophobicContact CG2-CD1 3.9Å; I453-I490 HydrophobicContact CG2-CG1 3.8Å; I453-I490 HydrophobicContact CG2-CG2 4.17Å
454L55.4Low51.1Low1 Ų146.7 Ų46.71%0.00523%0.233CC..Hα-helixtrans-54.5-41176-175.574.8000111.7F361 A364 F450 T457 L458 C486 V487 I490F361-L454 HydrophobicContact CD1-CD2 4.44Å; F361-L454 HydrophobicContact CE1-CG 4.49Å; A364-L454 HydrophobicContact CB-CD1 4.19Å; A364-L454 HydrophobicContact CB-CD2 3.64Å; A364-L454 HydrophobicContact CB-CG 4.31Å; F450-L454 WeakPolarHBondContact O-CB 3.41Å; F450-L454 PolarHBondContact O-N 2.85Å; L454-T457 PolarHBondContact O-N 2.83Å; L454-L458 HydrophobicContact CD1-CD1 4.09Å; L454-L458 HydrophobicContact CD1-CG 4.41Å; L454-L458 HydrophobicContact CD2-CD1 4.45Å; L454-L458 HydrophobicContact CG-CD1 3.81Å; L454-L458 HydrophobicContact CG-CG 4.42Å; L454-L458 WeakPolarHBondContact O-CB 3.35Å; L454-L458 VanDerWaalsContact O-CG 3.24Å; L454-L458 WeakPolarHBondContact O-CG 3.49Å; L454-L458 PolarHBondContact O-N 3.13Å; L454-C486 HydrophobicContact CD1-CB 4.27Å; L454-V487 HydrophobicContact CD1-CG2 3.73Å; L454-I490 VanDerWaalsContact CA-CD1 3.45Å; L454-I490 HydrophobicContact CB-CD1 3.8Å; L454-I490 HydrophobicContact CD1-CD1 3.69Å; L454-I490 HydrophobicContact CG-CD1 4.38Å
455Q54.7Low51.2Low23 Ų2346.9 Ų46.911%0.10724%0.235CC..Hα-helixtrans-61.4-51.8175.1-173.1173.412.500112.4F361 C451 T452 I453 T457 L458 Y459F361-Q455 HydrophobicContact CE1-CB 3.67Å; F361-Q455 HydrophobicContact CE1-CG 4.01Å; F361-Q455 HydrophobicContact CZ-CB 3.94Å; F361-Q455 HydrophobicContact CZ-CG 3.79Å; C451-Q455 WeakPolarHBondContact O-CB 3.39Å; C451-Q455 PolarHBondContact O-N 2.85Å; T452-Q455 PolarHBondContact O-N 3.39Å; I453-Q455 PolarHBondContact O-N 3.45Å; Q455-T457 VanDerWaalsContact C-N 3.31Å; Q455-T457 PolarHBondContact O-N 2.92Å; Q455-L458 PolarHBondContact O-N 2.98Å; Q455-Y459 HydrophobicContact CG-CD2 4.42Å; Q455-Y459 VanDerWaalsContact O-CB 3.31Å; Q455-Y459 WeakPolarHBondContact O-CB 3.01Å; Q455-Y459 PolarHBondContact O-N 3.41Å
456N49.3Very low51.2Low70 Ų7051.4 Ų51.437%0.37426%0.256SS..Hα-helixtrans-60.3-41.4178.5-72.3-27.4000112T452 I453 Q460T452-N456 PolarHBondContact O-N 2.99Å; T452-N456 PolarHBondContact O-ND2 2.82Å; I453-N456 PolarHBondContact O-N 3.3Å; I453-N456 VanDerWaalsContact O-N 3.12Å; N456-Q460 WeakPolarHBondContact O-CB 3.39Å; N456-Q460 WeakPolarHBondContact O-CG 3.34Å; N456-Q460 PolarHBondContact O-N 2.69Å
457T51.4Low50.8Low40 Ų4058 Ų5825%0.24529%0.291CS..Hα-helixtrans-68.1-44.3-179.8-40.70000112.1I453 L454 Q455 K461I453-T457 PolarHBondContact O-N 2.71Å; I453-T457 PolarHBondContact O-OG1 3.45Å; L454-T457 PolarHBondContact O-N 2.83Å; Q455-T457 VanDerWaalsContact C-N 3.31Å; Q455-T457 PolarHBondContact O-N 2.92Å; T457-K461 PolarHBondContact O-N 3.45Å; T457-K461 VanDerWaalsContact O-N 3.15Å
458L54.2Low50.3Low3 Ų364.4 Ų64.42%0.01632%0.319CS..Hα-helixtrans-67.9-40.8177.5-69.7171.6000111.2F361 A364 L454 Q455 K461 I462 L478 C486F361-L458 HydrophobicContact CD1-CD1 4.16Å; F361-L458 HydrophobicContact CE1-CB 4.41Å; F361-L458 HydrophobicContact CE1-CD1 3.56Å; F361-L458 HydrophobicContact CZ-CB 3.95Å; F361-L458 HydrophobicContact CZ-CD1 3.79Å; F361-L458 HydrophobicContact CZ-CG 4.5Å; A364-L458 HydrophobicContact CB-CD1 4.33Å; L454-L458 HydrophobicContact CD1-CD1 4.09Å; L454-L458 HydrophobicContact CD1-CG 4.41Å; L454-L458 HydrophobicContact CD2-CD1 4.45Å; L454-L458 HydrophobicContact CG-CD1 3.81Å; L454-L458 HydrophobicContact CG-CG 4.42Å; L454-L458 WeakPolarHBondContact O-CB 3.35Å; L454-L458 VanDerWaalsContact O-CG 3.24Å; L454-L458 WeakPolarHBondContact O-CG 3.49Å; L454-L458 PolarHBondContact O-N 3.13Å; Q455-L458 PolarHBondContact O-N 2.98Å; L458-K461 PolarHBondContact O-N 3.31Å; L458-I462 VanDerWaalsContact O-CG1 3.28Å; L458-I462 WeakPolarHBondContact O-CG1 3.45Å; L458-I462 PolarHBondContact O-N 3.13Å; L458-L478 HydrophobicContact CD2-CD2 3.36Å; L458-L478 HydrophobicContact CG-CD2 4.47Å; L458-C486 HydrophobicContact CD2-CB 3.79Å; L458-C486 WeakPolarHBondContact CD2-SG 3.44Å; L458-C486 HydrophobicContact CG-CB 4.34Å
459Y53.1Low49.7Very low132 Ų13268.4 Ų68.452%0.51834%0.336SS..Hα-helixtrans-63.9-43.2177-121.3-86000112.2Q455 K461 I462 I463Q455-Y459 HydrophobicContact CG-CD2 4.42Å; Q455-Y459 VanDerWaalsContact O-CB 3.31Å; Q455-Y459 WeakPolarHBondContact O-CB 3.01Å; Q455-Y459 PolarHBondContact O-N 3.41Å; Y459-K461 VanDerWaalsContact C-N 3.29Å; Y459-K461 PolarHBondContact O-N 3Å; Y459-I462 PolarHBondContact O-N 3.03Å; Y459-I463 HydrophobicContact CD1-CD1 4.27Å; Y459-I463 VanDerWaalsContact O-CG1 3.32Å; Y459-I463 WeakPolarHBondContact O-CG1 3.32Å; Y459-I463 PolarHBondContact O-N 3.43Å
460Q49.9Very low48.8Very low128 Ų12875.3 Ų75.360%0.59837%0.371SS*.Hα-helixtrans-59.4-41.7175-81.2-174.7-8.900111.6N456 I463 I464N456-Q460 WeakPolarHBondContact O-CB 3.39Å; N456-Q460 WeakPolarHBondContact O-CG 3.34Å; N456-Q460 PolarHBondContact O-N 2.69Å; Q460-I463 PolarHBondContact O-N 3.12Å; Q460-I464 WeakPolarHBondContact O-CD1 3.27Å; Q460-I464 VanDerWaalsContact O-CG1 3.22Å; Q460-I464 WeakPolarHBondContact O-CG1 3.45Å; Q460-I464 PolarHBondContact O-N 3.38Å
461K53.9Low47.6Very low78 Ų7882.7 Ų82.734%0.33941%0.41SS..Hα-helixtrans-64.4-42.5175.5-108.4-172.7175.7-179.90113.1T457 L458 Y459 I463 I464 D465 V482T457-K461 PolarHBondContact O-N 3.45Å; T457-K461 VanDerWaalsContact O-N 3.15Å; L458-K461 PolarHBondContact O-N 3.31Å; Y459-K461 VanDerWaalsContact C-N 3.29Å; Y459-K461 PolarHBondContact O-N 3Å; K461-I463 VanDerWaalsContact C-N 3.28Å; K461-I463 PolarHBondContact O-N 2.86Å; K461-I464 PolarHBondContact O-N 3.26Å; K461-D465 WeakPolarHBondContact O-CB 3.24Å; K461-D465 PolarHBondContact O-N 2.82Å; K461-V482 HydrophobicContact CD-CG1 3.9Å
462I52.8Low46.7Very low35 Ų3585.9 Ų85.918%0.17943%0.433CS..Hα-helixtrans-59.9-41.2176.3-69.1164.1000110.8L458 Y459 D465 Q466 L478L458-I462 VanDerWaalsContact O-CG1 3.28Å; L458-I462 WeakPolarHBondContact O-CG1 3.45Å; L458-I462 PolarHBondContact O-N 3.13Å; Y459-I462 PolarHBondContact O-N 3.03Å; I462-D465 PolarHBondContact O-N 2.92Å; I462-Q466 WeakPolarHBondContact O-CB 3.38Å; I462-Q466 VanDerWaalsContact O-CG 3.3Å; I462-Q466 WeakPolarHBondContact O-CG 3.24Å; I462-Q466 PolarHBondContact O-N 2.96Å; I462-L478 HydrophobicContact CD1-CD1 4.22Å; I462-L478 HydrophobicContact CG1-CD1 3.67Å
463I48.5Very low45.8Very low86 Ų8692.2 Ų92.244%0.44146%0.461SS..Hα-helixtrans-64.4-45.7176.7-67.2165.5000110.6Y459 Q460 K461 D465 Q466 D467Y459-I463 HydrophobicContact CD1-CD1 4.27Å; Y459-I463 VanDerWaalsContact O-CG1 3.32Å; Y459-I463 WeakPolarHBondContact O-CG1 3.32Å; Y459-I463 PolarHBondContact O-N 3.43Å; Q460-I463 PolarHBondContact O-N 3.12Å; K461-I463 VanDerWaalsContact C-N 3.28Å; K461-I463 PolarHBondContact O-N 2.86Å; I463-D465 VanDerWaalsContact C-N 3.34Å; I463-D465 PolarHBondContact O-N 3.05Å; I463-Q466 PolarHBondContact O-N 3.25Å; I463-D467 PolarHBondContact O-N 3.39Å; I463-D467 VanDerWaalsContact O-N 3.11Å
464I48.5Very low44.7Very low99 Ų9995 Ų9551%0.50848%0.483SS..Hα-helixtrans-62.2-40.8178.4-67.7163.1000111.4Q460 K461 D467Q460-I464 WeakPolarHBondContact O-CD1 3.27Å; Q460-I464 VanDerWaalsContact O-CG1 3.22Å; Q460-I464 WeakPolarHBondContact O-CG1 3.45Å; Q460-I464 PolarHBondContact O-N 3.38Å; K461-I464 PolarHBondContact O-N 3.26Å; I464-D467 PolarHBondContact O-N 2.91Å
465D46.4Very low44Very low95 Ų95101.3 Ų101.351%0.50852%0.515SS..Hα-helixtrans-70.5-32177.6-75.8-23.9000111.9K461 I462 I463 H468K461-D465 WeakPolarHBondContact O-CB 3.24Å; K461-D465 PolarHBondContact O-N 2.82Å; I462-D465 PolarHBondContact O-N 2.92Å; I463-D465 VanDerWaalsContact C-N 3.34Å; I463-D465 PolarHBondContact O-N 3.05Å; D465-H468 PolarHBondContact O-N 3.07Å
466Q46.5Very low43.3Very low98 Ų98106.9 Ų106.946%0.45854%0.541SS..Hα-helixtrans-69.8-32.2175.6-81.9-179.3-5.600113.6I462 I463 H468I462-Q466 WeakPolarHBondContact O-CB 3.38Å; I462-Q466 VanDerWaalsContact O-CG 3.3Å; I462-Q466 WeakPolarHBondContact O-CG 3.24Å; I462-Q466 PolarHBondContact O-N 2.96Å; I463-Q466 PolarHBondContact O-N 3.25Å; Q466-H468 PolarHBondContact O-N 3.14Å
467D44.3Very low43.3Very low137 Ų137108 Ų10873%0.73355%0.554SS**THydrogen-bonded Turntrans-66.2-14.7174.5-84.9-21.6000112.4I463 I464I463-D467 PolarHBondContact O-N 3.39Å; I463-D467 VanDerWaalsContact O-N 3.11Å; I464-D467 PolarHBondContact O-N 2.91Å
468H40.4Very low43.4Very low155 Ų155107.4 Ų107.472%0.71855%0.55SS*.THydrogen-bonded Turntrans-100.4-21.2-177.7-83.1-56.5000116.3D465 Q466D465-H468 PolarHBondContact O-N 3.07Å; Q466-H468 PolarHBondContact O-N 3.14Å
469Q33.3Very low43.9Very low166 Ų166110 Ų11078%0.77657%0.568SS**SBendtrans-150.8120.1177.8-69.2-173.2-14.800114.1
470I32.8Very low44.6Very low149 Ų149108.7 Ų108.776%0.76457%0.567SS**  trans24.4102.7154.8-53.7176.2000115.7S472I470-S472 PolarHBondContact O-N 3.43Å
471L30.3Very low45.5Very low156 Ų156106 Ų10682%0.81756%0.562SS**THydrogen-bonded Turntrans-66.846-177.4-140.5106.5000115.3
472S31.9Very low45.9Very low95 Ų95103.7 Ų103.766%0.66455%0.554SS**THydrogen-bonded Turntrans-138.19.5-178.271.50000116.3I470I470-S472 PolarHBondContact O-N 3.43Å
473Q29.9Very low46.3Very low159 Ų159102.6 Ų102.674%0.74355%0.548SS*.SBendtrans-113.5118.4170.9-77179.5-14.700110.4
474S31.7Very low47.1Very low90 Ų90100.3 Ų100.363%0.62954%0.535SS*.  trans-29.8135.4167.950.80000111.6Q476S474-Q476 WeakPolarHBondContact O-CA 3.38Å; S474-Q476 WeakPolarHBondContact O-CB 3.34Å; S474-Q476 PolarHBondContact O-N 3.31Å
475I40.2Very low47.9Very low133 Ų13398 Ų9868%0.68253%0.528SS*.  trans-41.881.9173.9-57.3160000109.9S477I475-S477 PolarHBondContact O-N 3.45Å
476Q39.9Very low48.6Very low141 Ų14193.6 Ų93.666%0.65951%0.505SS*.  trans-86.3113.9-176.1-100.8176.6-14.800105.3S474 L478S474-Q476 WeakPolarHBondContact O-CA 3.38Å; S474-Q476 WeakPolarHBondContact O-CB 3.34Å; S474-Q476 PolarHBondContact O-N 3.31Å; Q476-L478 PolarHBondContact O-N 2.74Å
477S48.7Very low49.3Very low92 Ų9289 Ų8964%0.64348%0.483SS*.  trans13.995.1164.256.20000115I475 S479I475-S477 PolarHBondContact O-N 3.45Å; S477-S479 PolarHBondContact O-N 3.36Å; S477-S479 VanDerWaalsContact O-N 3.17Å
478L54.5Low50.3Low29 Ų2982.7 Ų82.715%0.15245%0.45CS..  trans-51.4123.6168-149.787.6000108.9L458 I462 Q476 V482 Q483L458-L478 HydrophobicContact CD2-CD2 3.36Å; L458-L478 HydrophobicContact CG-CD2 4.47Å; I462-L478 HydrophobicContact CD1-CD1 4.22Å; I462-L478 HydrophobicContact CG1-CD1 3.67Å; Q476-L478 PolarHBondContact O-N 2.74Å; L478-V482 HydrophobicContact CD2-CB 4.28Å; L478-V482 HydrophobicContact CD2-CG1 3.59Å; L478-V482 HydrophobicContact CG-CB 4.29Å; L478-V482 HydrophobicContact CG-CG1 3.9Å; L478-Q483 HydrophobicContact CD2-CG 3.99Å; L478-Q483 PolarHBondContact O-NE2 3.4Å
479S64.8Low51.4Low56 Ų5677.8 Ų77.839%0.39243%0.433SS..  trans-58.5145.1-172.2720000111.2S477 S481 V482 Q483S477-S479 PolarHBondContact O-N 3.36Å; S477-S479 VanDerWaalsContact O-N 3.17Å; S479-S481 PolarHBondContact O-N 3.01Å; S479-S481 PolarHBondContact OG-OG 3.2Å; S479-V482 WeakPolarHBondContact O-CB 3.49Å; S479-V482 PolarHBondContact O-N 3.45Å; S479-V482 WeakPolarHBondContact OG-CG2 3.17Å; S479-V482 PolarHBondContact OG-N 3.03Å; S479-Q483 PolarHBondContact O-N 3.34Å; S479-Q483 VanDerWaalsContact O-N 3.16Å
480E67.9Low52.7Low106 Ų10670 Ų7050%0.49540%0.397SS..Hα-helixtrans-54.3-37.7179.3-156.4-175157.400111.8Y363 V482 Q483 K484Y363-E480 HydrophobicContact CD1-CG 4.14Å; Y363-E480 HydrophobicContact CE1-CG 3.27Å; Y363-E480 VanDerWaalsContact CZ-OE1 3.23Å; Y363-E480 PolarHBondContact OH-OE1 3.4Å; E480-V482 VanDerWaalsContact C-N 3.35Å; E480-V482 PolarHBondContact O-N 2.96Å; E480-Q483 PolarHBondContact O-N 2.94Å; E480-K484 WeakPolarHBondContact O-CG 3.27Å; E480-K484 PolarHBondContact O-N 3.15Å
481S67.3Low54.2Low72 Ų7263 Ų6350%0.50336%0.361SS..Hα-helixtrans-59.6-40.4174.459.40000113.1S479 S485S479-S481 PolarHBondContact O-N 3.01Å; S479-S481 PolarHBondContact OG-OG 3.2Å; S481-S485 VanDerWaalsContact O-CB 3.32Å; S481-S485 WeakPolarHBondContact O-CB 3.06Å; S481-S485 PolarHBondContact O-N 3.45Å; S481-S485 PolarHBondContact O-OG 3.47Å
482V63.2Low55.9Low29 Ų2958.7 Ų58.718%0.17634%0.336CS..Hα-helixtrans-69-38.8178.3171.10000110.5K461 L478 S479 E480 S485 C486K461-V482 HydrophobicContact CD-CG1 3.9Å; L478-V482 HydrophobicContact CD2-CB 4.28Å; L478-V482 HydrophobicContact CD2-CG1 3.59Å; L478-V482 HydrophobicContact CG-CB 4.29Å; L478-V482 HydrophobicContact CG-CG1 3.9Å; S479-V482 WeakPolarHBondContact O-CB 3.49Å; S479-V482 PolarHBondContact O-N 3.45Å; S479-V482 WeakPolarHBondContact OG-CG2 3.17Å; S479-V482 PolarHBondContact OG-N 3.03Å; E480-V482 VanDerWaalsContact C-N 3.35Å; E480-V482 PolarHBondContact O-N 2.96Å; V482-S485 PolarHBondContact O-N 2.6Å; V482-C486 PolarHBondContact O-N 3.25Å; V482-C486 PolarHBondContact O-SG 3.5Å
483Q60.3Low57.1Low11 Ų1158.1 Ų58.15%0.05133%0.329CS..Hα-helixtrans-65.4-50.2176.7-65.4-177.533.800111.5Q360 Y363 A364 L478 S479 E480 S485 C486 V487Q360-Q483 PolarHBondContact O-OE1 3.19Å; Y363-Q483 VanDerWaalsContact CD1-OE1 3.3Å; A364-Q483 HydrophobicContact CB-CB 4.06Å; A364-Q483 HydrophobicContact CB-CG 4.35Å; L478-Q483 HydrophobicContact CD2-CG 3.99Å; L478-Q483 PolarHBondContact O-NE2 3.4Å; S479-Q483 PolarHBondContact O-N 3.34Å; S479-Q483 VanDerWaalsContact O-N 3.16Å; E480-Q483 PolarHBondContact O-N 2.94Å; Q483-S485 VanDerWaalsContact C-N 3.3Å; Q483-S485 PolarHBondContact O-N 3.44Å; Q483-C486 PolarHBondContact O-N 3.44Å; Q483-C486 VanDerWaalsContact O-N 3.12Å; Q483-V487 WeakPolarHBondContact O-CG2 3.33Å; Q483-V487 PolarHBondContact O-N 3.43Å
484K66.8Low58.4Low39 Ų3954.7 Ų54.717%0.1731%0.312CS..Hα-helixtrans-54.4-45.3173-74.3176.7163.3-148.50111.5L367 E480 C486 V487 A488 M518 H520L367-K484 HydrophobicContact CD1-CG 3.77Å; E480-K484 WeakPolarHBondContact O-CG 3.27Å; E480-K484 PolarHBondContact O-N 3.15Å; K484-C486 VanDerWaalsContact C-N 3.34Å; K484-C486 PolarHBondContact O-N 3.3Å; K484-V487 PolarHBondContact O-N 2.85Å; K484-A488 WeakPolarHBondContact O-CB 3.4Å; K484-A488 PolarHBondContact O-N 2.74Å; K484-M518 HydrophobicContact CB-CE 4.41Å; K484-M518 WeakPolarHBondContact CD-O 3.45Å; K484-M518 WeakPolarHBondContact CE-O 3.22Å; K484-M518 HydrophobicContact CG-CG 4.37Å; K484-M518 PolarHBondContact NZ-O 3.22Å; K484-M518 WeakPolarHBondContact O-CE 3.17Å; K484-H520 PolarHBondContact NZ-OXT 2.79Å; K484-H520 VanDerWaalsContact NZ-OXT 3.16Å
485S65Low59.9Low50 Ų5050.4 Ų50.435%0.3528%0.282SS..Hα-helixtrans-62.1-39.3177.8-56.50000112.8S481 V482 Q483 S489S481-S485 VanDerWaalsContact O-CB 3.32Å; S481-S485 WeakPolarHBondContact O-CB 3.06Å; S481-S485 PolarHBondContact O-N 3.45Å; S481-S485 PolarHBondContact O-OG 3.47Å; V482-S485 PolarHBondContact O-N 2.6Å; Q483-S485 VanDerWaalsContact C-N 3.3Å; Q483-S485 PolarHBondContact O-N 3.44Å; S485-S489 VanDerWaalsContact O-CB 3.29Å; S485-S489 WeakPolarHBondContact O-CB 3.43Å; S485-S489 PolarHBondContact O-N 2.85Å
486C60.2Low61.1Low3 Ų344.3 Ų44.32%0.0225%0.251CS..Hα-helixtrans-69.4-42.3178.2-68.40000111.6L454 L458 V482 Q483 K484 S489 I490L454-C486 HydrophobicContact CD1-CB 4.27Å; L458-C486 HydrophobicContact CD2-CB 3.79Å; L458-C486 WeakPolarHBondContact CD2-SG 3.44Å; L458-C486 HydrophobicContact CG-CB 4.34Å; V482-C486 PolarHBondContact O-N 3.25Å; V482-C486 PolarHBondContact O-SG 3.5Å; Q483-C486 PolarHBondContact O-N 3.44Å; Q483-C486 VanDerWaalsContact O-N 3.12Å; K484-C486 VanDerWaalsContact C-N 3.34Å; K484-C486 PolarHBondContact O-N 3.3Å; C486-S489 PolarHBondContact O-N 3.3Å; C486-I490 WeakPolarHBondContact O-CD1 3.4Å; C486-I490 VanDerWaalsContact O-CG1 3.27Å; C486-I490 WeakPolarHBondContact O-CG1 3.46Å; C486-I490 PolarHBondContact O-N 2.92Å
487V62.5Low62Low0 Ų039.9 Ų39.90%023%0.234CC..Hα-helixtrans-61.3-47.5175173.50000110.5A364 L367 L368 L454 Q483 K484 S489 I490 I491 M518A364-V487 HydrophobicContact CB-CG2 4.26Å; A364-V487 WeakPolarHBondContact O-CG2 3.24Å; L367-V487 HydrophobicContact CB-CG1 4.47Å; L367-V487 HydrophobicContact CB-CG2 4.25Å; L368-V487 HydrophobicContact CB-CG1 3.75Å; L368-V487 HydrophobicContact CB-CG2 4.15Å; L368-V487 HydrophobicContact CD1-CG1 4.16Å; L368-V487 HydrophobicContact CG-CG1 4.1Å; L454-V487 HydrophobicContact CD1-CG2 3.73Å; Q483-V487 WeakPolarHBondContact O-CG2 3.33Å; Q483-V487 PolarHBondContact O-N 3.43Å; K484-V487 PolarHBondContact O-N 2.85Å; V487-S489 VanDerWaalsContact C-N 3.32Å; V487-S489 PolarHBondContact O-N 3.27Å; V487-I490 PolarHBondContact O-N 2.9Å; V487-I490 VanDerWaalsContact O-N 3.15Å; V487-I491 HydrophobicContact CG1-CD1 3.81Å; V487-I491 WeakPolarHBondContact O-CG1 3.38Å; V487-I491 PolarHBondContact O-N 2.99Å; V487-M518 HydrophobicContact CB-CE 3.89Å; V487-M518 HydrophobicContact CB-SD 3.9Å; V487-M518 HydrophobicContact CG1-CE 3.81Å; V487-M518 HydrophobicContact CG1-SD 3.5Å; V487-M518 WeakPolarHBondContact CG1-SD 3.31Å
488A65Low62.2Low6 Ų635.7 Ų35.75%0.0521%0.205CC..Hα-helixtrans-61.8-40.5177.800000111.8K484 I490 I491 H492 M518 L519K484-A488 WeakPolarHBondContact O-CB 3.4Å; K484-A488 PolarHBondContact O-N 2.74Å; A488-I490 VanDerWaalsContact C-N 3.33Å; A488-I490 PolarHBondContact O-N 3.1Å; A488-I491 PolarHBondContact O-N 2.89Å; A488-H492 WeakPolarHBondContact O-CB 3.36Å; A488-H492 PolarHBondContact O-CD2 2.64Å; A488-H492 VanDerWaalsContact O-CD2 3.3Å; A488-H492 PolarHBondContact O-N 3.37Å; A488-M518 HydrophobicContact CB-CE 3.79Å; A488-L519 HydrophobicContact CB-CD1 3.65Å; A488-L519 HydrophobicContact CB-CD2 3.89Å; A488-L519 HydrophobicContact CB-CG 3.8Å
489S63.2Low62.4Low52 Ų5234.3 Ų34.336%0.36420%0.198SC..Hα-helixtrans-59.3-44.5174.7177.80000111.5S485 C486 V487 I491 H492 T493S485-S489 VanDerWaalsContact O-CB 3.29Å; S485-S489 WeakPolarHBondContact O-CB 3.43Å; S485-S489 PolarHBondContact O-N 2.85Å; C486-S489 PolarHBondContact O-N 3.3Å; V487-S489 VanDerWaalsContact C-N 3.32Å; V487-S489 PolarHBondContact O-N 3.27Å; S489-I491 VanDerWaalsContact C-N 3.33Å; S489-I491 PolarHBondContact O-N 3.04Å; S489-H492 PolarHBondContact O-N 3.23Å; S489-T493 VanDerWaalsContact O-CB 3.27Å; S489-T493 WeakPolarHBondContact O-CB 3.45Å; S489-T493 VanDerWaalsContact O-CG2 3.31Å; S489-T493 WeakPolarHBondContact O-CG2 3.5Å; S489-T493 PolarHBondContact O-N 3.42Å; S489-T493 PolarHBondContact O-OG1 2.94Å
490I60.6Low62.1Low3 Ų336.5 Ų36.52%0.01520%0.202CC..Hα-helixtrans-64-41.4177.8-68.1165000110.9L368 F450 I453 L454 C486 V487 A488 K494 L495L368-I490 HydrophobicContact CD1-CD1 4.42Å; L368-I490 HydrophobicContact CD1-CG2 4.13Å; F450-I490 HydrophobicContact CD1-CG2 3.52Å; F450-I490 HydrophobicContact CE1-CG2 3.6Å; I453-I490 HydrophobicContact CG2-CD1 3.9Å; I453-I490 HydrophobicContact CG2-CG1 3.8Å; I453-I490 HydrophobicContact CG2-CG2 4.17Å; L454-I490 VanDerWaalsContact CA-CD1 3.45Å; L454-I490 HydrophobicContact CB-CD1 3.8Å; L454-I490 HydrophobicContact CD1-CD1 3.69Å; L454-I490 HydrophobicContact CG-CD1 4.38Å; C486-I490 WeakPolarHBondContact O-CD1 3.4Å; C486-I490 VanDerWaalsContact O-CG1 3.27Å; C486-I490 WeakPolarHBondContact O-CG1 3.46Å; C486-I490 PolarHBondContact O-N 2.92Å; V487-I490 PolarHBondContact O-N 2.9Å; V487-I490 VanDerWaalsContact O-N 3.15Å; A488-I490 VanDerWaalsContact C-N 3.33Å; A488-I490 PolarHBondContact O-N 3.1Å; I490-K494 WeakPolarHBondContact O-CB 3.27Å; I490-K494 PolarHBondContact O-N 2.89Å; I490-L495 PolarHBondContact O-N 3Å
491I65.4Low61.2Low0 Ų035.4 Ų35.40%021%0.205CC..Iπ-helixtrans-62.9-52.6177.1-66163.1000110.3C371 V487 A488 S489 T493 L495 L496 I511 A515C371-I491 HydrophobicContact CB-CD1 3.34Å; C371-I491 HydrophobicContact CB-CG1 4.42Å; V487-I491 HydrophobicContact CG1-CD1 3.81Å; V487-I491 WeakPolarHBondContact O-CG1 3.38Å; V487-I491 PolarHBondContact O-N 2.99Å; A488-I491 PolarHBondContact O-N 2.89Å; S489-I491 VanDerWaalsContact C-N 3.33Å; S489-I491 PolarHBondContact O-N 3.04Å; I491-T493 PolarHBondContact O-N 3.46Å; I491-L495 HydrophobicContact CG1-CD2 4.37Å; I491-L495 HydrophobicContact CG2-CD2 4.31Å; I491-L495 PolarHBondContact O-N 2.99Å; I491-L495 VanDerWaalsContact O-N 3.13Å; I491-L496 HydrophobicContact CG2-CD1 3.86Å; I491-L496 HydrophobicContact CG2-CG 3.84Å; I491-L496 PolarHBondContact O-N 3.17Å; I491-I511 HydrophobicContact CG2-CG2 3.82Å; I491-A515 HydrophobicContact CB-CB 4.29Å; I491-A515 HydrophobicContact CD1-CB 3.79Å; I491-A515 HydrophobicContact CG2-CB 3.85Å
492H65.6Low60.3Low66 Ų6634.4 Ų34.431%0.30619%0.194SC..Iπ-helixtrans-71.3-29.4-177-79.3-75.6000114.8A488 S489 L496 P497 E512A488-H492 WeakPolarHBondContact O-CB 3.36Å; A488-H492 PolarHBondContact O-CD2 2.64Å; A488-H492 VanDerWaalsContact O-CD2 3.3Å; A488-H492 PolarHBondContact O-N 3.37Å; S489-H492 PolarHBondContact O-N 3.23Å; H492-L496 WeakPolarHBondContact ND1-CD1 3.37Å; H492-P497 VanDerWaalsContact O-CD 3.27Å; H492-P497 WeakPolarHBondContact O-CD 3.31Å; H492-P497 WeakPolarHBondContact O-CG 3.3Å; H492-E512 IonicContact CE1-OE1 3.71Å
493T56.6Low59.9Low84 Ų8436.3 Ų36.352%0.51520%0.203SC..Iπ-helixtrans-99.6-19.4-17563.10000114.3S489 I491S489-T493 VanDerWaalsContact O-CB 3.27Å; S489-T493 WeakPolarHBondContact O-CB 3.45Å; S489-T493 VanDerWaalsContact O-CG2 3.31Å; S489-T493 WeakPolarHBondContact O-CG2 3.5Å; S489-T493 PolarHBondContact O-N 3.42Å; S489-T493 PolarHBondContact O-OG1 2.94Å; I491-T493 PolarHBondContact O-N 3.46Å
494K58Low59.6Low86 Ų8636.5 Ų36.537%0.37420%0.204SC..Iπ-helixtrans-119.6-52.8-179.3-60.9-66.9-177.5-178.10112I490 A498I490-K494 WeakPolarHBondContact O-CB 3.27Å; I490-K494 PolarHBondContact O-N 2.89Å; K494-A498 WeakPolarHBondContact O-CB 3.47Å; K494-A498 PolarHBondContact O-N 2.94Å
495L62.8Low59.3Low1 Ų137.7 Ų37.71%0.00521%0.213CC..Iπ-helixtrans-80.7-51.4-168.2177.765.8000113.4I372 I375 L392 F450 I490 I491 A498 L499 I511I372-L495 HydrophobicContact CG2-CD2 3.45Å; I372-L495 VanDerWaalsContact CG2-CD2 3.45Å; I375-L495 HydrophobicContact CD1-CD1 3.33Å; I375-L495 HydrophobicContact CD1-CD2 3.82Å; I375-L495 HydrophobicContact CD1-CG 4.08Å; L392-L495 HydrophobicContact CD2-CD1 4.1Å; F450-L495 HydrophobicContact CE1-CB 4.38Å; F450-L495 HydrophobicContact CZ-CB 4.08Å; F450-L495 HydrophobicContact CZ-CD1 3.91Å; F450-L495 HydrophobicContact CZ-CD2 4.15Å; F450-L495 HydrophobicContact CZ-CG 4.26Å; I490-L495 PolarHBondContact O-N 3Å; I491-L495 HydrophobicContact CG1-CD2 4.37Å; I491-L495 HydrophobicContact CG2-CD2 4.31Å; I491-L495 PolarHBondContact O-N 2.99Å; I491-L495 VanDerWaalsContact O-N 3.13Å; L495-A498 WeakPolarHBondContact O-CB 3.37Å; L495-A498 PolarHBondContact O-N 3.28Å; L495-A498 VanDerWaalsContact O-N 3.15Å; L495-L499 HydrophobicContact CD1-CD1 3.97Å; L495-L499 HydrophobicContact CD1-CG 4.13Å; L495-L499 HydrophobicContact CG-CD1 3.87Å; L495-L499 HydrophobicContact CG-CG 4.41Å; L495-L499 WeakPolarHBondContact O-CG 3.43Å; L495-L499 PolarHBondContact O-N 3.16Å; L495-I511 HydrophobicContact CD2-CG2 3.79Å
496L65.8Low59Low4 Ų439.2 Ų39.22%0.02123%0.228CC..Hα-helixtrans-60.2-44.6179.9-75.7172.4000111.9I491 H492 A498 L499 Q500 H508 I511 E512I491-L496 HydrophobicContact CG2-CD1 3.86Å; I491-L496 HydrophobicContact CG2-CG 3.84Å; I491-L496 PolarHBondContact O-N 3.17Å; H492-L496 WeakPolarHBondContact ND1-CD1 3.37Å; L496-A498 VanDerWaalsContact C-N 3.33Å; L496-A498 PolarHBondContact O-N 3Å; L496-L499 PolarHBondContact O-N 2.9Å; L496-Q500 WeakPolarHBondContact O-CB 3.47Å; L496-Q500 PolarHBondContact O-N 3.41Å; L496-H508 HydrophobicContact CD2-CB 4.22Å; L496-H508 WeakPolarHBondContact CD2-CD2 3.38Å; L496-H508 VanDerWaalsContact CD2-O 3.24Å; L496-H508 WeakPolarHBondContact CD2-O 3.5Å; L496-H508 PolarHBondContact O-CD2 3.25Å; L496-I511 HydrophobicContact CD2-CB 4.32Å; L496-I511 HydrophobicContact CD2-CG2 4.16Å; L496-E512 HydrophobicContact CD1-CB 3.88Å; L496-E512 HydrophobicContact CD1-CG 4.05Å; L496-E512 HydrophobicContact CD2-CB 3.97Å
497P57.5Low59.2Low48 Ų4839.3 Ų39.331%0.31223%0.228SC..Hα-helixtrans-58.3-42.7172.7-25.735.4000112.8H492 L499 Q500 C501H492-P497 VanDerWaalsContact O-CD 3.27Å; H492-P497 WeakPolarHBondContact O-CD 3.31Å; H492-P497 WeakPolarHBondContact O-CG 3.3Å; P497-L499 VanDerWaalsContact C-N 3.34Å; P497-L499 PolarHBondContact O-N 3.34Å; P497-Q500 PolarHBondContact O-N 3.41Å; P497-C501 WeakPolarHBondContact O-CB 3.32Å; P497-C501 PolarHBondContact O-N 3.12Å; P497-C501 PolarHBondContact O-SG 2.98Å
498A53.4Low59.5Low5 Ų540.1 Ų40.14%0.04123%0.232CC..Hα-helixtrans-62.8-39.417700000112.3E391 K494 L495 L496 L502E391-A498 HydrophobicContact CB-CB 3.84Å; K494-A498 WeakPolarHBondContact O-CB 3.47Å; K494-A498 PolarHBondContact O-N 2.94Å; L495-A498 WeakPolarHBondContact O-CB 3.37Å; L495-A498 PolarHBondContact O-N 3.28Å; L495-A498 VanDerWaalsContact O-N 3.15Å; L496-A498 VanDerWaalsContact C-N 3.33Å; L496-A498 PolarHBondContact O-N 3Å; A498-L502 WeakPolarHBondContact O-CG 3.48Å; A498-L502 PolarHBondContact O-N 3.15Å
499L57.7Low59.8Low0 Ų041.3 Ų41.30%025%0.245CC..Hα-helixtrans-72.5-36.7177.4-68.9171.5000112.8I375 I381 L388 L495 L496 P497 L502 D503 L504 L507 I511I375-L499 HydrophobicContact CD1-CD1 4.47Å; I381-L499 HydrophobicContact CD1-CD2 4.11Å; L388-L499 HydrophobicContact CD1-CD2 4.42Å; L495-L499 HydrophobicContact CD1-CD1 3.97Å; L495-L499 HydrophobicContact CD1-CG 4.13Å; L495-L499 HydrophobicContact CG-CD1 3.87Å; L495-L499 HydrophobicContact CG-CG 4.41Å; L495-L499 WeakPolarHBondContact O-CG 3.43Å; L495-L499 PolarHBondContact O-N 3.16Å; L496-L499 PolarHBondContact O-N 2.9Å; P497-L499 VanDerWaalsContact C-N 3.34Å; P497-L499 PolarHBondContact O-N 3.34Å; L499-L502 WeakPolarHBondContact O-CB 3.28Å; L499-L502 PolarHBondContact O-N 2.91Å; L499-D503 PolarHBondContact O-N 2.94Å; L499-L504 HydrophobicContact CD2-CB 4.43Å; L499-L504 HydrophobicContact CD2-CD1 3.97Å; L499-L504 PolarHBondContact O-N 3Å; L499-L504 VanDerWaalsContact O-N 3.08Å; L499-L507 HydrophobicContact CD1-CD2 4.22Å; L499-L507 HydrophobicContact CD2-CD2 3.82Å; L499-I511 HydrophobicContact CD1-CD1 3.39Å
500Q58.8Low60.4Low102 Ų10243.9 Ų43.948%0.47725%0.251SS..Hα-helixtrans-63-43.4171.6-106170.88.700111.2L496 P497 L502 D503 H508L496-Q500 WeakPolarHBondContact O-CB 3.47Å; L496-Q500 PolarHBondContact O-N 3.41Å; P497-Q500 PolarHBondContact O-N 3.41Å; Q500-L502 PolarHBondContact O-N 3.36Å; Q500-L502 VanDerWaalsContact O-N 3.15Å; Q500-D503 PolarHBondContact O-N 3.3Å; Q500-H508 VanDerWaalsContact CG-CD2 3.42Å; Q500-H508 WeakPolarHBondContact CG-CD2 3.3Å; Q500-H508 PolarHBondContact NE2-CE1 3.4Å; Q500-H508 PolarHBondContact NE2-NE2 3.47Å
501C48.7Very low61.1Low82 Ų8243.8 Ų43.855%0.55425%0.25SS*.THydrogen-bonded Turntrans-63.8-17.2175.6-72.70000113.6P497P497-C501 WeakPolarHBondContact O-CB 3.32Å; P497-C501 PolarHBondContact O-N 3.12Å; P497-C501 PolarHBondContact O-SG 2.98Å
502L49.4Very low61.6Low51 Ų5147 Ų4727%0.26727%0.265SS..THydrogen-bonded Turntrans-94.22.1176.1-84167.3000113.8F387 L388 A498 L499 Q500 L504F387-L502 HydrophobicContact CD1-CD1 4.14Å; F387-L502 HydrophobicContact CD1-CD2 3.49Å; F387-L502 VanDerWaalsContact CD1-CD2 3.49Å; F387-L502 HydrophobicContact CD1-CG 4.14Å; F387-L502 HydrophobicContact CE1-CD1 3.92Å; F387-L502 HydrophobicContact CE1-CD2 3.06Å; F387-L502 HydrophobicContact CE1-CG 3.53Å; F387-L502 HydrophobicContact CZ-CD2 3.9Å; F387-L502 HydrophobicContact CZ-CG 4.48Å; L388-L502 HydrophobicContact CD1-CD1 3.42Å; L388-L502 VanDerWaalsContact CD1-CD1 3.42Å; L388-L502 HydrophobicContact CG-CD1 4.37Å; A498-L502 WeakPolarHBondContact O-CG 3.48Å; A498-L502 PolarHBondContact O-N 3.15Å; L499-L502 WeakPolarHBondContact O-CB 3.28Å; L499-L502 PolarHBondContact O-N 2.91Å; Q500-L502 PolarHBondContact O-N 3.36Å; Q500-L502 VanDerWaalsContact O-N 3.15Å; L502-L504 HydrophobicContact CB-CB 4.4Å; L502-L504 HydrophobicContact CB-CD1 3.8Å; L502-L504 HydrophobicContact CB-CG 3.85Å; L502-L504 HydrophobicContact CD1-CD1 4.05Å; L502-L504 HydrophobicContact CG-CD1 4.49Å; L502-L504 PolarHBondContact O-N 3.44Å; L502-L504 VanDerWaalsContact O-N 3.1Å
503D53.9Low62.4Low70 Ų7050.1 Ų50.137%0.37428%0.28SS..THydrogen-bonded Turntrans51.526.7-169.5-81.4-52.3000114.1R51 E52 L499 Q500 N505R51-D503 IonicContact NH2-OD1 2.72Å; R51-D503 PolarHBondContact NH2-OD1 3.45Å; E52-D503 VanDerWaalsContact OE2-CG 3.23Å; L499-D503 PolarHBondContact O-N 2.94Å; Q500-D503 PolarHBondContact O-N 3.3Å; D503-N505 PolarHBondContact O-N 3.15Å; D503-N505 PolarHBondContact OD1-ND2 3.34Å
504L55.7Low63.4Low14 Ų1448.7 Ų48.77%0.07327%0.269CS..  trans-83.152173.2-66.2172.6000110.1H378 L380 I381 L499 L502 A506 L507 H508H378-L504 VanDerWaalsContact CE1-CD2 3.44Å; H378-L504 WeakPolarHBondContact CE1-CD2 3.42Å; L380-L504 HydrophobicContact CB-CD2 3.93Å; L380-L504 HydrophobicContact CD1-CD2 3.94Å; I381-L504 HydrophobicContact CD1-CD1 3.77Å; I381-L504 HydrophobicContact CG1-CD1 3.66Å; L499-L504 HydrophobicContact CD2-CB 4.43Å; L499-L504 HydrophobicContact CD2-CD1 3.97Å; L499-L504 PolarHBondContact O-N 3Å; L499-L504 VanDerWaalsContact O-N 3.08Å; L502-L504 HydrophobicContact CB-CB 4.4Å; L502-L504 HydrophobicContact CB-CD1 3.8Å; L502-L504 HydrophobicContact CB-CG 3.85Å; L502-L504 HydrophobicContact CD1-CD1 4.05Å; L502-L504 HydrophobicContact CG-CD1 4.49Å; L502-L504 PolarHBondContact O-N 3.44Å; L502-L504 VanDerWaalsContact O-N 3.1Å; L504-A506 VanDerWaalsContact C-N 3.28Å; L504-A506 PolarHBondContact O-N 3.38Å; L504-L507 HydrophobicContact CB-CB 4.07Å; L504-L507 CarbonylContact O-C 3.6Å; L504-L507 WeakPolarHBondContact O-CA 3.22Å; L504-L507 WeakPolarHBondContact O-CB 3.29Å; L504-L507 PolarHBondContact O-N 3.44Å; L504-H508 PolarHBondContact O-N 3.29Å
505N59.4Low63.9Low65 Ų6544.6 Ų44.635%0.34825%0.251SS..Hα-helixtrans-61.6-34-172.4-66.7-51.1000112.8R51 D503 H508 G509R51-N505 PolarHBondContact NH2-ND2 3.45Å; R51-N505 VanDerWaalsContact NH2-ND2 3.18Å; D503-N505 PolarHBondContact O-N 3.15Å; D503-N505 PolarHBondContact OD1-ND2 3.34Å; N505-H508 PolarHBondContact O-N 2.98Å; N505-G509 PolarHBondContact O-N 3.37Å
506A59.9Low64.6Low82 Ų8249.8 Ų49.868%0.67827%0.274SS*.Hα-helixtrans-63.9-42.3173.600000111.6L504 G509 E510L504-A506 VanDerWaalsContact C-N 3.28Å; L504-A506 PolarHBondContact O-N 3.38Å; A506-G509 PolarHBondContact O-N 2.94Å; A506-E510 PolarHBondContact O-N 2.74Å
507L64Low65.3Low4 Ų456 Ų562%0.02130%0.303CS..Hα-helixtrans-72.5-37.2178.6-145.896.8000112.3P374 I375 H378 I381 L499 L504 E510 I511P374-L507 HydrophobicContact CB-CD1 4.35Å; P374-L507 HydrophobicContact CB-CG 4.48Å; I375-L507 HydrophobicContact CB-CD2 4.3Å; I375-L507 HydrophobicContact CG1-CD2 3.74Å; H378-L507 HydrophobicContact CB-CD1 3.46Å; H378-L507 VanDerWaalsContact CB-CD1 3.46Å; H378-L507 WeakPolarHBondContact CD2-CD1 3.34Å; H378-L507 VanDerWaalsContact CG-CD1 3.4Å; I381-L507 HydrophobicContact CD1-CD2 3.71Å; L499-L507 HydrophobicContact CD1-CD2 4.22Å; L499-L507 HydrophobicContact CD2-CD2 3.82Å; L504-L507 HydrophobicContact CB-CB 4.07Å; L504-L507 CarbonylContact O-C 3.6Å; L504-L507 WeakPolarHBondContact O-CA 3.22Å; L504-L507 WeakPolarHBondContact O-CB 3.29Å; L504-L507 PolarHBondContact O-N 3.44Å; L507-E510 PolarHBondContact O-N 2.84Å; L507-I511 HydrophobicContact CD2-CD1 3.52Å; L507-I511 HydrophobicContact CG-CD1 3.85Å; L507-I511 WeakPolarHBondContact O-CB 3.49Å; L507-I511 WeakPolarHBondContact O-CD1 3.39Å; L507-I511 VanDerWaalsContact O-CG1 3.24Å; L507-I511 WeakPolarHBondContact O-CG1 3.3Å; L507-I511 PolarHBondContact O-N 3.43Å
508H69.2Low66.2Low18 Ų1854.4 Ų54.48%0.08329%0.292CS..Hα-helixtrans-55.6-51.7172.5176.3-71000110.5L496 Q500 L504 N505 E510 I511 E512L496-H508 HydrophobicContact CD2-CB 4.22Å; L496-H508 WeakPolarHBondContact CD2-CD2 3.38Å; L496-H508 VanDerWaalsContact CD2-O 3.24Å; L496-H508 WeakPolarHBondContact CD2-O 3.5Å; L496-H508 PolarHBondContact O-CD2 3.25Å; Q500-H508 VanDerWaalsContact CG-CD2 3.42Å; Q500-H508 WeakPolarHBondContact CG-CD2 3.3Å; Q500-H508 PolarHBondContact NE2-CE1 3.4Å; Q500-H508 PolarHBondContact NE2-NE2 3.47Å; L504-H508 PolarHBondContact O-N 3.29Å; N505-H508 PolarHBondContact O-N 2.98Å; H508-E510 VanDerWaalsContact C-N 3.34Å; H508-E510 PolarHBondContact O-N 3.36Å; H508-I511 PolarHBondContact O-N 2.91Å; H508-E512 IonicContact CE1-OE2 3.67Å; H508-E512 PolarHBondContact CE1-OE2 2.97Å; H508-E512 IonicContact ND1-OE2 3.45Å; H508-E512 PolarHBondContact ND1-OE2 3.45Å; H508-E512 WeakPolarHBondContact O-CB 3.39Å; H508-E512 PolarHBondContact O-N 2.93Å
509G69.7Low66.8Low30 Ų3057.5 Ų57.531%0.30931%0.307SS..Hα-helixtrans-61.6-40.5-178.900000113.3N505 A506 Q513N505-G509 PolarHBondContact O-N 3.37Å; A506-G509 PolarHBondContact O-N 2.94Å; G509-Q513 WeakPolarHBondContact O-CB 3.15Å; G509-Q513 PolarHBondContact O-N 3.24Å
510E77Confident67.4Low107 Ų10766.2 Ų66.250%0.535%0.347SS..Hα-helixtrans-68.2-44.2179.6-160.9170.2-15200111.8P374 A506 L507 H508 Q513 L514P374-E510 HydrophobicContact CG-CG 4.39Å; A506-E510 PolarHBondContact O-N 2.74Å; L507-E510 PolarHBondContact O-N 2.84Å; H508-E510 VanDerWaalsContact C-N 3.34Å; H508-E510 PolarHBondContact O-N 3.36Å; E510-Q513 PolarHBondContact O-N 3.16Å; E510-L514 WeakPolarHBondContact O-CG 3.32Å; E510-L514 PolarHBondContact O-N 3.17Å
511I73.8Confident67.8Low0 Ų064.4 Ų64.40%034%0.341CS..Hα-helixtrans-69.8-36.7178.1-68.4168.2000111.5C371 P374 I375 I491 L495 L496 L499 L507 H508 L514 A515C371-I511 WeakPolarHBondContact O-CG1 3.48Å; P374-I511 HydrophobicContact CB-CG1 4.3Å; P374-I511 HydrophobicContact CG-CG1 4.21Å; I375-I511 HydrophobicContact CD1-CD1 3.85Å; I375-I511 HydrophobicContact CG1-CD1 3.35Å; I491-I511 HydrophobicContact CG2-CG2 3.82Å; L495-I511 HydrophobicContact CD2-CG2 3.79Å; L496-I511 HydrophobicContact CD2-CB 4.32Å; L496-I511 HydrophobicContact CD2-CG2 4.16Å; L499-I511 HydrophobicContact CD1-CD1 3.39Å; L507-I511 HydrophobicContact CD2-CD1 3.52Å; L507-I511 HydrophobicContact CG-CD1 3.85Å; L507-I511 WeakPolarHBondContact O-CB 3.49Å; L507-I511 WeakPolarHBondContact O-CD1 3.39Å; L507-I511 VanDerWaalsContact O-CG1 3.24Å; L507-I511 WeakPolarHBondContact O-CG1 3.3Å; L507-I511 PolarHBondContact O-N 3.43Å; H508-I511 PolarHBondContact O-N 2.91Å; I511-L514 PolarHBondContact O-N 3.22Å; I511-A515 WeakPolarHBondContact O-CB 3.1Å; I511-A515 PolarHBondContact O-N 3.01Å
512E77.7Confident68.8Low67 Ų6763.5 Ų63.531%0.31333%0.33SS..Hα-helixtrans-64.5-43.6174.5-176170.1-149.400111.3H492 L496 H508 L514 A515 F516H492-E512 IonicContact CE1-OE1 3.71Å; L496-E512 HydrophobicContact CD1-CB 3.88Å; L496-E512 HydrophobicContact CD1-CG 4.05Å; L496-E512 HydrophobicContact CD2-CB 3.97Å; H508-E512 IonicContact CE1-OE2 3.67Å; H508-E512 PolarHBondContact CE1-OE2 2.97Å; H508-E512 IonicContact ND1-OE2 3.45Å; H508-E512 PolarHBondContact ND1-OE2 3.45Å; H508-E512 WeakPolarHBondContact O-CB 3.39Å; H508-E512 PolarHBondContact O-N 2.93Å; E512-L514 PolarHBondContact O-N 3.11Å; E512-A515 PolarHBondContact O-N 2.7Å; E512-F516 WeakPolarHBondContact O-CB 3.45Å; E512-F516 PolarHBondContact O-N 2.52Å
513Q80.7Confident69.9Low133 Ų13364.2 Ų64.262%0.62133%0.333SS*.Hα-helixtrans-61.8-43174.6-95.3-175.7-17.500112.5G509 E510 F516 Q517G509-Q513 WeakPolarHBondContact O-CB 3.15Å; G509-Q513 PolarHBondContact O-N 3.24Å; E510-Q513 PolarHBondContact O-N 3.16Å; Q513-F516 PolarHBondContact O-N 2.87Å; Q513-Q517 WeakPolarHBondContact O-CB 3.12Å; Q513-Q517 WeakPolarHBondContact O-CG 3.47Å; Q513-Q517 PolarHBondContact O-N 3.49Å
514L77.9Confident70.8Confident53 Ų5363.8 Ų63.828%0.27733%0.331SS..Hα-helixtrans-63.1-42.1176.2-72.6167000111.5C371 P374 E510 I511 E512 F516 Q517 M518C371-L514 HydrophobicContact CB-CB 4.47Å; P374-L514 HydrophobicContact CG-CD1 3.73Å; E510-L514 WeakPolarHBondContact O-CG 3.32Å; E510-L514 PolarHBondContact O-N 3.17Å; I511-L514 PolarHBondContact O-N 3.22Å; E512-L514 PolarHBondContact O-N 3.11Å; L514-F516 VanDerWaalsContact C-N 3.32Å; L514-F516 PolarHBondContact O-N 2.65Å; L514-Q517 PolarHBondContact O-N 2.83Å; L514-M518 VanDerWaalsContact O-CB 3.3Å; L514-M518 WeakPolarHBondContact O-CB 3.5Å; L514-M518 PolarHBondContact O-N 3.16Å
515A68.8Low71.8Confident0 Ų066.9 Ų66.90%035%0.347CS..Hα-helixtrans-63.6-37.2175.300000112.5I491 I511 E512 M518 L519I491-A515 HydrophobicContact CB-CB 4.29Å; I491-A515 HydrophobicContact CD1-CB 3.79Å; I491-A515 HydrophobicContact CG2-CB 3.85Å; I511-A515 WeakPolarHBondContact O-CB 3.1Å; I511-A515 PolarHBondContact O-N 3.01Å; E512-A515 PolarHBondContact O-N 2.7Å; A515-M518 WeakPolarHBondContact O-CB 3.47Å; A515-L519 PolarHBondContact O-N 2.83Å
516F77.5Confident72.6Confident110 Ų11067.1 Ų67.148%0.48235%0.347SS..Hα-helixtrans-69.8-44.5175.6-119.6-79000112.3E512 Q513 L514 M518 L519 H520E512-F516 WeakPolarHBondContact O-CB 3.45Å; E512-F516 PolarHBondContact O-N 2.52Å; Q513-F516 PolarHBondContact O-N 2.87Å; L514-F516 VanDerWaalsContact C-N 3.32Å; L514-F516 PolarHBondContact O-N 2.65Å; F516-M518 PolarHBondContact O-N 3.2Å; F516-L519 PolarHBondContact O-N 3.37Å; F516-L519 VanDerWaalsContact O-N 3.15Å; F516-H520 PolarHBondContact O-CD2 2.61Å; F516-H520 PolarHBondContact O-N 3.42Å
517Q79.9Confident73.5Confident134 Ų13466 Ų6663%0.62632%0.323SS*.Hα-helixtrans-61.2-36.3175.2-78.7-178-5.500111.6Q513 L514 L519 H520Q513-Q517 WeakPolarHBondContact O-CB 3.12Å; Q513-Q517 WeakPolarHBondContact O-CG 3.47Å; Q513-Q517 PolarHBondContact O-N 3.49Å; L514-Q517 PolarHBondContact O-N 2.83Å; Q517-L519 VanDerWaalsContact C-N 3.3Å; Q517-L519 PolarHBondContact O-N 3.28Å; Q517-H520 PolarHBondContact O-N 3.17Å; Q517-H520 VanDerWaalsContact O-OXT 3.11Å
518M76.6Confident74.2Confident16 Ų1670.8 Ų70.88%0.07935%0.346CS..Hα-helixtrans-64-34.5176.3-174-157.358.900112.5L367 K484 V487 A488 L514 A515 F516L367-M518 HydrophobicContact CB-CG 4.49Å; L367-M518 HydrophobicContact CB-SD 3.78Å; L367-M518 HydrophobicContact CD1-SD 4.39Å; L367-M518 HydrophobicContact CD2-CG 3.44Å; L367-M518 VanDerWaalsContact CD2-CG 3.44Å; L367-M518 HydrophobicContact CD2-SD 3.88Å; L367-M518 HydrophobicContact CG-CG 4.41Å; L367-M518 HydrophobicContact CG-SD 4.24Å; K484-M518 HydrophobicContact CB-CE 4.41Å; K484-M518 WeakPolarHBondContact CD-O 3.45Å; K484-M518 WeakPolarHBondContact CE-O 3.22Å; K484-M518 HydrophobicContact CG-CG 4.37Å; K484-M518 PolarHBondContact NZ-O 3.22Å; K484-M518 WeakPolarHBondContact O-CE 3.17Å; V487-M518 HydrophobicContact CB-CE 3.89Å; V487-M518 HydrophobicContact CB-SD 3.9Å; V487-M518 HydrophobicContact CG1-CE 3.81Å; V487-M518 HydrophobicContact CG1-SD 3.5Å; V487-M518 WeakPolarHBondContact CG1-SD 3.31Å; A488-M518 HydrophobicContact CB-CE 3.79Å; L514-M518 VanDerWaalsContact O-CB 3.3Å; L514-M518 WeakPolarHBondContact O-CB 3.5Å; L514-M518 PolarHBondContact O-N 3.16Å; A515-M518 WeakPolarHBondContact O-CB 3.47Å; F516-M518 PolarHBondContact O-N 3.2Å
519L65.9Low74.6Confident70 Ų7075.2 Ų75.237%0.36637%0.368SS..Hα-helixtrans-73.9-26.7179-80.5166.8000113.6A488 A515 F516 Q517A488-L519 HydrophobicContact CB-CD1 3.65Å; A488-L519 HydrophobicContact CB-CD2 3.89Å; A488-L519 HydrophobicContact CB-CG 3.8Å; A515-L519 PolarHBondContact O-N 2.83Å; F516-L519 PolarHBondContact O-N 3.37Å; F516-L519 VanDerWaalsContact O-N 3.15Å; Q517-L519 VanDerWaalsContact C-N 3.3Å; Q517-L519 PolarHBondContact O-N 3.28Å
520H70.4Confident75.1Confident182 Ų18279.3 Ų79.384%0.84337%0.374SS*.  trans-92.30174.6-70.9-66.8000112.1K484 F516 Q517K484-H520 PolarHBondContact NZ-OXT 2.79Å; K484-H520 VanDerWaalsContact NZ-OXT 3.16Å; F516-H520 PolarHBondContact O-CD2 2.61Å; F516-H520 PolarHBondContact O-N 3.42Å; Q517-H520 PolarHBondContact O-N 3.17Å; Q517-H520 VanDerWaalsContact O-OXT 3.11Å

Retrieved 520 of 520 residues in 1131.3 ms (Link to these results)

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